data_30345 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 30345 _Entry.Title ; Solution structure of TDP-43 N-terminal domain dimer. ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2017-09-18 _Entry.Accession_date 2017-09-18 _Entry.Last_release_date 2017-10-05 _Entry.Original_release_date 2017-10-05 _Entry.Origination author _Entry.Format_name . _Entry.NMR_STAR_version 3.2.0.16 _Entry.Original_NMR_STAR_version 3.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype SOLUTION _Entry.Source_data_format . _Entry.Source_data_format_version . _Entry.Generated_software_name . _Entry.Generated_software_version . _Entry.Generated_software_ID . _Entry.Generated_software_label . _Entry.Generated_date . _Entry.DOI . _Entry.UUID . _Entry.Related_coordinate_file_name . _Entry.Details . 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.ORCID _Entry_author.Entry_ID 1 M. Naik M. T. . . 30345 2 A. Wang A. . . . 30345 3 A. Conicella A. . . . 30345 4 N. Fawzi N. L. . . 30345 stop_ loop_ _Struct_keywords.Keywords _Struct_keywords.Text _Struct_keywords.Entry_ID 'Amyotrophic Lateral Sclerosis' . 30345 Dimerization . 30345 'Protein Aggregation' . 30345 'Protein self-assembly' . 30345 'RNA binding protein' . 30345 'STRUCTURAL PROTEIN' . 30345 TDP-43 . 30345 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 2 30345 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 654 30345 '15N chemical shifts' 161 30345 '1H chemical shifts' 1080 30345 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 2 . . 2018-03-09 2017-09-18 update BMRB 'update entry citation' 30345 1 . . 2018-02-21 2017-09-18 original author 'original release' 30345 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 6B1G 'BMRB Entry Tracking System' 30345 stop_ save_ ############### # Citations # ############### save_citation_1 _Citation.Sf_category citations _Citation.Sf_framecode citation_1 _Citation.Entry_ID 30345 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 29438978 _Citation.Full_citation . _Citation.Title ; A single N-terminal phosphomimic disrupts TDP-43 polymerization, phase separation and RNA splicing ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'EMBO J.' _Citation.Journal_name_full 'The EMBO journal' _Citation.Journal_volume 37 _Citation.Journal_issue 5 _Citation.Journal_ASTM . _Citation.Journal_ISSN 1460-2075 _Citation.Journal_CSD 0353 _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 e97452 _Citation.Page_last e97452 _Citation.Year 2018 _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.ORCID _Citation_author.Entry_ID _Citation_author.Citation_ID 1 Ailin Wang A. . . . 30345 1 2 Alexander Conicella A. E. . . 30345 1 3 'Hermann Broder' Schmidt H. B. . . 30345 1 4 Erik Martin E. W. . . 30345 1 5 Shannon Rhoads S. N. . . 30345 1 6 Ashley Reeb A. N. . . 30345 1 7 Amanda Nourse A. . . . 30345 1 8 Daniel 'Ramirez Montero' D. . . . 30345 1 9 Veronica Ryan V. H. . . 30345 1 10 Rajat Rohatgi R. . . . 30345 1 11 Frank Shewmaker F. . . . 30345 1 12 Mandar Naik M. T. . . 30345 1 13 Tanja Mittag T. . . . 30345 1 14 Yuna Ayala Y. M. . . 30345 1 15 Nicolas Fawzi N. L. . . 30345 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 30345 _Assembly.ID 1 _Assembly.Name 'TAR DNA-binding protein 43' _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 . _Assembly.Molecular_mass . _Assembly.Enzyme_commission_number . _Assembly.Details . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Entity_assembly.ID _Entity_assembly.Entity_assembly_name _Entity_assembly.Entity_ID _Entity_assembly.Entity_label _Entity_assembly.Asym_ID _Entity_assembly.PDB_chain_ID _Entity_assembly.Experimental_data_reported _Entity_assembly.Physical_state _Entity_assembly.Conformational_isomer _Entity_assembly.Chemical_exchange_state _Entity_assembly.Magnetic_equivalence_group_code _Entity_assembly.Role _Entity_assembly.Details _Entity_assembly.Entry_ID _Entity_assembly.Assembly_ID 1 entity_1 1 $entity_1 A A yes . . . . . . 30345 1 2 entity_2 2 $entity_2 B B yes . . . . . . 30345 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity_1 _Entity.Sf_category entity _Entity.Sf_framecode entity_1 _Entity.Entry_ID 30345 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name entity_1 _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID A _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; GHMMSEYIRVTEDENDEPIE IPSEDDGTVLLSTVTAQFPG ACGLRYRNPVEQCMRGVRLV EGILHAPDAGWGNLVYVVNY PKD ; _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 no _Entity.Nstd_chirality . _Entity.Nstd_linkage no _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 83 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'all free' _Entity.Src_method man _Entity.Parent_entity_ID 1 _Entity.Fragment 'NTD domain' _Entity.Mutation S48E _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 9244.335 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date . loop_ _Entity_common_name.Name _Entity_common_name.Type _Entity_common_name.Entry_ID _Entity_common_name.Entity_ID TDP-43 na 30345 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 . 30345 1 2 . HIS . 30345 1 3 . MET . 30345 1 4 1 MET . 30345 1 5 2 SER . 30345 1 6 3 GLU . 30345 1 7 4 TYR . 30345 1 8 5 ILE . 30345 1 9 6 ARG . 30345 1 10 7 VAL . 30345 1 11 8 THR . 30345 1 12 9 GLU . 30345 1 13 10 ASP . 30345 1 14 11 GLU . 30345 1 15 12 ASN . 30345 1 16 13 ASP . 30345 1 17 14 GLU . 30345 1 18 15 PRO . 30345 1 19 16 ILE . 30345 1 20 17 GLU . 30345 1 21 18 ILE . 30345 1 22 19 PRO . 30345 1 23 20 SER . 30345 1 24 21 GLU . 30345 1 25 22 ASP . 30345 1 26 23 ASP . 30345 1 27 24 GLY . 30345 1 28 25 THR . 30345 1 29 26 VAL . 30345 1 30 27 LEU . 30345 1 31 28 LEU . 30345 1 32 29 SER . 30345 1 33 30 THR . 30345 1 34 31 VAL . 30345 1 35 32 THR . 30345 1 36 33 ALA . 30345 1 37 34 GLN . 30345 1 38 35 PHE . 30345 1 39 36 PRO . 30345 1 40 37 GLY . 30345 1 41 38 ALA . 30345 1 42 39 CYS . 30345 1 43 40 GLY . 30345 1 44 41 LEU . 30345 1 45 42 ARG . 30345 1 46 43 TYR . 30345 1 47 44 ARG . 30345 1 48 45 ASN . 30345 1 49 46 PRO . 30345 1 50 47 VAL . 30345 1 51 48 GLU . 30345 1 52 49 GLN . 30345 1 53 50 CYS . 30345 1 54 51 MET . 30345 1 55 52 ARG . 30345 1 56 53 GLY . 30345 1 57 54 VAL . 30345 1 58 55 ARG . 30345 1 59 56 LEU . 30345 1 60 57 VAL . 30345 1 61 58 GLU . 30345 1 62 59 GLY . 30345 1 63 60 ILE . 30345 1 64 61 LEU . 30345 1 65 62 HIS . 30345 1 66 63 ALA . 30345 1 67 64 PRO . 30345 1 68 65 ASP . 30345 1 69 66 ALA . 30345 1 70 67 GLY . 30345 1 71 68 TRP . 30345 1 72 69 GLY . 30345 1 73 70 ASN . 30345 1 74 71 LEU . 30345 1 75 72 VAL . 30345 1 76 73 TYR . 30345 1 77 74 VAL . 30345 1 78 75 VAL . 30345 1 79 76 ASN . 30345 1 80 77 TYR . 30345 1 81 78 PRO . 30345 1 82 79 LYS . 30345 1 83 80 ASP . 30345 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 30345 1 . HIS 2 2 30345 1 . MET 3 3 30345 1 . MET 4 4 30345 1 . SER 5 5 30345 1 . GLU 6 6 30345 1 . TYR 7 7 30345 1 . ILE 8 8 30345 1 . ARG 9 9 30345 1 . VAL 10 10 30345 1 . THR 11 11 30345 1 . GLU 12 12 30345 1 . ASP 13 13 30345 1 . GLU 14 14 30345 1 . ASN 15 15 30345 1 . ASP 16 16 30345 1 . GLU 17 17 30345 1 . PRO 18 18 30345 1 . ILE 19 19 30345 1 . GLU 20 20 30345 1 . ILE 21 21 30345 1 . PRO 22 22 30345 1 . SER 23 23 30345 1 . GLU 24 24 30345 1 . ASP 25 25 30345 1 . ASP 26 26 30345 1 . GLY 27 27 30345 1 . THR 28 28 30345 1 . VAL 29 29 30345 1 . LEU 30 30 30345 1 . LEU 31 31 30345 1 . SER 32 32 30345 1 . THR 33 33 30345 1 . VAL 34 34 30345 1 . THR 35 35 30345 1 . ALA 36 36 30345 1 . GLN 37 37 30345 1 . PHE 38 38 30345 1 . PRO 39 39 30345 1 . GLY 40 40 30345 1 . ALA 41 41 30345 1 . CYS 42 42 30345 1 . GLY 43 43 30345 1 . LEU 44 44 30345 1 . ARG 45 45 30345 1 . TYR 46 46 30345 1 . ARG 47 47 30345 1 . ASN 48 48 30345 1 . PRO 49 49 30345 1 . VAL 50 50 30345 1 . GLU 51 51 30345 1 . GLN 52 52 30345 1 . CYS 53 53 30345 1 . MET 54 54 30345 1 . ARG 55 55 30345 1 . GLY 56 56 30345 1 . VAL 57 57 30345 1 . ARG 58 58 30345 1 . LEU 59 59 30345 1 . VAL 60 60 30345 1 . GLU 61 61 30345 1 . GLY 62 62 30345 1 . ILE 63 63 30345 1 . LEU 64 64 30345 1 . HIS 65 65 30345 1 . ALA 66 66 30345 1 . PRO 67 67 30345 1 . ASP 68 68 30345 1 . ALA 69 69 30345 1 . GLY 70 70 30345 1 . TRP 71 71 30345 1 . GLY 72 72 30345 1 . ASN 73 73 30345 1 . LEU 74 74 30345 1 . VAL 75 75 30345 1 . TYR 76 76 30345 1 . VAL 77 77 30345 1 . VAL 78 78 30345 1 . ASN 79 79 30345 1 . TYR 80 80 30345 1 . PRO 81 81 30345 1 . LYS 82 82 30345 1 . ASP 83 83 30345 1 stop_ save_ save_entity_2 _Entity.Sf_category entity _Entity.Sf_framecode entity_2 _Entity.Entry_ID 30345 _Entity.ID 2 _Entity.BMRB_code . _Entity.Name entity_2 _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID B _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; GHMMSERIRVTEDENDEPIE IPSEDDGTVLLSTVTAQFPG ACGLRYRNPVSQCMRGVRLV EGILHAPDAGWGNLVYVVNY PKD ; _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 no _Entity.Nstd_chirality . _Entity.Nstd_linkage no _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 83 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'all free' _Entity.Src_method man _Entity.Parent_entity_ID 2 _Entity.Fragment 'NTD domain' _Entity.Mutation Y4R _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 9196.318 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date . loop_ _Entity_common_name.Name _Entity_common_name.Type _Entity_common_name.Entry_ID _Entity_common_name.Entity_ID TDP-43 na 30345 2 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 . 30345 2 2 . HIS . 30345 2 3 . MET . 30345 2 4 101 MET . 30345 2 5 102 SER . 30345 2 6 103 GLU . 30345 2 7 104 ARG . 30345 2 8 105 ILE . 30345 2 9 106 ARG . 30345 2 10 107 VAL . 30345 2 11 108 THR . 30345 2 12 109 GLU . 30345 2 13 110 ASP . 30345 2 14 111 GLU . 30345 2 15 112 ASN . 30345 2 16 113 ASP . 30345 2 17 114 GLU . 30345 2 18 115 PRO . 30345 2 19 116 ILE . 30345 2 20 117 GLU . 30345 2 21 118 ILE . 30345 2 22 119 PRO . 30345 2 23 120 SER . 30345 2 24 121 GLU . 30345 2 25 122 ASP . 30345 2 26 123 ASP . 30345 2 27 124 GLY . 30345 2 28 125 THR . 30345 2 29 126 VAL . 30345 2 30 127 LEU . 30345 2 31 128 LEU . 30345 2 32 129 SER . 30345 2 33 130 THR . 30345 2 34 131 VAL . 30345 2 35 132 THR . 30345 2 36 133 ALA . 30345 2 37 134 GLN . 30345 2 38 135 PHE . 30345 2 39 136 PRO . 30345 2 40 137 GLY . 30345 2 41 138 ALA . 30345 2 42 139 CYS . 30345 2 43 140 GLY . 30345 2 44 141 LEU . 30345 2 45 142 ARG . 30345 2 46 143 TYR . 30345 2 47 144 ARG . 30345 2 48 145 ASN . 30345 2 49 146 PRO . 30345 2 50 147 VAL . 30345 2 51 148 SER . 30345 2 52 149 GLN . 30345 2 53 150 CYS . 30345 2 54 151 MET . 30345 2 55 152 ARG . 30345 2 56 153 GLY . 30345 2 57 154 VAL . 30345 2 58 155 ARG . 30345 2 59 156 LEU . 30345 2 60 157 VAL . 30345 2 61 158 GLU . 30345 2 62 159 GLY . 30345 2 63 160 ILE . 30345 2 64 161 LEU . 30345 2 65 162 HIS . 30345 2 66 163 ALA . 30345 2 67 164 PRO . 30345 2 68 165 ASP . 30345 2 69 166 ALA . 30345 2 70 167 GLY . 30345 2 71 168 TRP . 30345 2 72 169 GLY . 30345 2 73 170 ASN . 30345 2 74 171 LEU . 30345 2 75 172 VAL . 30345 2 76 173 TYR . 30345 2 77 174 VAL . 30345 2 78 175 VAL . 30345 2 79 176 ASN . 30345 2 80 177 TYR . 30345 2 81 178 PRO . 30345 2 82 179 LYS . 30345 2 83 180 ASP . 30345 2 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 30345 2 . HIS 2 2 30345 2 . MET 3 3 30345 2 . MET 4 4 30345 2 . SER 5 5 30345 2 . GLU 6 6 30345 2 . ARG 7 7 30345 2 . ILE 8 8 30345 2 . ARG 9 9 30345 2 . VAL 10 10 30345 2 . THR 11 11 30345 2 . GLU 12 12 30345 2 . ASP 13 13 30345 2 . GLU 14 14 30345 2 . ASN 15 15 30345 2 . ASP 16 16 30345 2 . GLU 17 17 30345 2 . PRO 18 18 30345 2 . ILE 19 19 30345 2 . GLU 20 20 30345 2 . ILE 21 21 30345 2 . PRO 22 22 30345 2 . SER 23 23 30345 2 . GLU 24 24 30345 2 . ASP 25 25 30345 2 . ASP 26 26 30345 2 . GLY 27 27 30345 2 . THR 28 28 30345 2 . VAL 29 29 30345 2 . LEU 30 30 30345 2 . LEU 31 31 30345 2 . SER 32 32 30345 2 . THR 33 33 30345 2 . VAL 34 34 30345 2 . THR 35 35 30345 2 . ALA 36 36 30345 2 . GLN 37 37 30345 2 . PHE 38 38 30345 2 . PRO 39 39 30345 2 . GLY 40 40 30345 2 . ALA 41 41 30345 2 . CYS 42 42 30345 2 . GLY 43 43 30345 2 . LEU 44 44 30345 2 . ARG 45 45 30345 2 . TYR 46 46 30345 2 . ARG 47 47 30345 2 . ASN 48 48 30345 2 . PRO 49 49 30345 2 . VAL 50 50 30345 2 . SER 51 51 30345 2 . GLN 52 52 30345 2 . CYS 53 53 30345 2 . MET 54 54 30345 2 . ARG 55 55 30345 2 . GLY 56 56 30345 2 . VAL 57 57 30345 2 . ARG 58 58 30345 2 . LEU 59 59 30345 2 . VAL 60 60 30345 2 . GLU 61 61 30345 2 . GLY 62 62 30345 2 . ILE 63 63 30345 2 . LEU 64 64 30345 2 . HIS 65 65 30345 2 . ALA 66 66 30345 2 . PRO 67 67 30345 2 . ASP 68 68 30345 2 . ALA 69 69 30345 2 . GLY 70 70 30345 2 . TRP 71 71 30345 2 . GLY 72 72 30345 2 . ASN 73 73 30345 2 . LEU 74 74 30345 2 . VAL 75 75 30345 2 . TYR 76 76 30345 2 . VAL 77 77 30345 2 . VAL 78 78 30345 2 . ASN 79 79 30345 2 . TYR 80 80 30345 2 . PRO 81 81 30345 2 . LYS 82 82 30345 2 . ASP 83 83 30345 2 stop_ save_ #################### # Natural source # #################### save_natural_source _Entity_natural_src_list.Sf_category natural_source _Entity_natural_src_list.Sf_framecode natural_source _Entity_natural_src_list.Entry_ID 30345 _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.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.Secretion _Entity_natural_src.Plasmid _Entity_natural_src.Gene_mnemonic _Entity_natural_src.Details _Entity_natural_src.Entry_ID _Entity_natural_src.Entity_natural_src_list_ID 1 1 $entity_1 . 9606 organism . 'Homo sapiens' Human . . Eukaryota Metazoa Homo sapiens . . . . . . . . . . . 'TARDBP, TDP43' . 30345 1 2 2 $entity_2 . 9606 organism . 'Homo sapiens' Human . . Eukaryota Metazoa Homo sapiens . . . . . . . . . . . 'TARDBP, TDP43' . 30345 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 30345 _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_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.Details _Entity_experimental_src.Entry_ID _Entity_experimental_src.Entity_experimental_src_list_ID 1 1 $entity_1 . 'recombinant technology' 'Escherichia coli' . . 469008 Escherichia coli BL21(DE3) . . pJ411 . . 'pJ411/TDP-43 S48E' . . . 30345 1 2 2 $entity_2 . 'recombinant technology' 'Escherichia coli' . . 469008 Escherichia coli BL21(DE3) . . pJ411 . . 'pJ411/TDP-43 Y4R' . . . 30345 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 30345 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details ; 0.7 mM [U-99% 13C; U-99% 15N] TDP-43 NTD S48E, 2.0 mM TDP-43 NTD Y4R, 20 mM HEPES, 1 mM DTT, 90% H2O/10% D2O. ; _Sample.Aggregate_sample_number . _Sample.Solvent_system '90% H2O/10% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 DTT 'natural abundance' . . . . . . 1 . . mM 0.01 . . . 30345 1 2 HEPES 'natural abundance' . . . . . . 20 . . mM 0.01 . . . 30345 1 3 'TDP-43 NTD S48E' '[U-99% 13C; U-99% 15N]' . . 1 $entity_1 . . 0.7 . . mM 0.01 . . . 30345 1 4 'TDP-43 NTD Y4R' 'natural abundance' . . 2 $entity_2 . . 2.0 . . mM 0.01 . . . 30345 1 stop_ save_ save_sample_2 _Sample.Sf_category sample _Sample.Sf_framecode sample_2 _Sample.Entry_ID 30345 _Sample.ID 2 _Sample.Type solution _Sample.Sub_type . _Sample.Details ; 0.7 mM [U-99% 13C; U-99% 15N] TDP-43 NTD Y4R, 2 mM TDP-43 NTD S48E, 20 mM HEPES, 1 mM DTT, 90% H2O/10% D2O. ; _Sample.Aggregate_sample_number . _Sample.Solvent_system '90% H2O/10% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 DTT 'natural abundance' . . . . . . 1 . . mM 0.01 . . . 30345 2 2 HEPES 'natural abundance' . . . . . . 20 . . mM 0.01 . . . 30345 2 3 'TDP-43 NTD S48E' 'natural abundance' . . 1 $entity_1 . . 2 . . mM 0.01 . . . 30345 2 4 'TDP-43 NTD Y4R' '[U-99% 13C; U-99% 15N]' . . 2 $entity_2 . . 0.7 . . mM 0.01 . . . 30345 2 stop_ save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode sample_conditions_1 _Sample_condition_list.Entry_ID 30345 _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 'ionic strength' 0 0.01 mM 30345 1 pH 6.8 0.01 pH 30345 1 pressure 1 0.1 atm 30345 1 temperature 298 0.1 K 30345 1 stop_ save_ ############################ # Computer software used # ############################ save_software_1 _Software.Sf_category software _Software.Sf_framecode software_1 _Software.Entry_ID 30345 _Software.ID 1 _Software.Type . _Software.Name CYANA _Software.Version 3.0 _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Guntert, Mumenthaler and Wuthrich' . . 30345 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'structure calculation' 30345 1 stop_ save_ save_software_2 _Software.Sf_category software _Software.Sf_framecode software_2 _Software.Entry_ID 30345 _Software.ID 2 _Software.Type . _Software.Name NMRPipe _Software.Version . _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax' . . 30345 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID processing 30345 2 stop_ save_ save_software_3 _Software.Sf_category software _Software.Sf_framecode software_3 _Software.Entry_ID 30345 _Software.ID 3 _Software.Type . _Software.Name SPARKY _Software.Version 3.114 _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID Goddard . . 30345 3 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' 30345 3 'peak picking' 30345 3 stop_ save_ save_software_4 _Software.Sf_category software _Software.Sf_framecode software_4 _Software.Entry_ID 30345 _Software.ID 4 _Software.Type . _Software.Name TOPSPIN _Software.Version 3.5 _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Bruker Biospin' . . 30345 4 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID collection 30345 4 stop_ save_ save_software_5 _Software.Sf_category software _Software.Sf_framecode software_5 _Software.Entry_ID 30345 _Software.ID 5 _Software.Type . _Software.Name 'X-PLOR NIH' _Software.Version 2.45 _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Schwieters, Kuszewski, Tjandra and Clore' . . 30345 5 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID refinement 30345 5 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_NMR_spectrometer_1 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer_1 _NMR_spectrometer.Entry_ID 30345 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details 'TCI HCN z-gradient cryoprobe' _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model 'Avance III HD' _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 850 save_ save_NMR_spectrometer_2 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer_2 _NMR_spectrometer.Entry_ID 30345 _NMR_spectrometer.ID 2 _NMR_spectrometer.Details 'TCI HCN z-gradient cryoprobe' _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model 'Avance II' _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 500 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 30345 _NMR_spectrometer_list.ID 1 loop_ _NMR_spectrometer_view.ID _NMR_spectrometer_view.Name _NMR_spectrometer_view.Manufacturer _NMR_spectrometer_view.Model _NMR_spectrometer_view.Serial_number _NMR_spectrometer_view.Field_strength _NMR_spectrometer_view.Details _NMR_spectrometer_view.Citation_ID _NMR_spectrometer_view.Citation_label _NMR_spectrometer_view.Entry_ID _NMR_spectrometer_view.NMR_spectrometer_list_ID 1 NMR_spectrometer_1 Bruker 'Avance III HD' . 850 . . . 30345 1 2 NMR_spectrometer_2 Bruker 'Avance II' . 500 . . . 30345 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 30345 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NMR_spec_expt_ID _Experiment.NMR_spec_expt_label _Experiment.MS_expt_ID _Experiment.MS_expt_label _Experiment.SAXS_expt_ID _Experiment.SAXS_expt_label _Experiment.FRET_expt_ID _Experiment.FRET_expt_label _Experiment.EMR_expt_ID _Experiment.EMR_expt_label _Experiment.Sample_ID _Experiment.Sample_label _Experiment.Sample_state _Experiment.Sample_volume _Experiment.Sample_volume_units _Experiment.Sample_condition_list_ID _Experiment.Sample_condition_list_label _Experiment.Sample_spinning_rate _Experiment.Sample_angle _Experiment.NMR_tube_type _Experiment.NMR_spectrometer_ID _Experiment.NMR_spectrometer_label _Experiment.NMR_spectrometer_probe_ID _Experiment.NMR_spectrometer_probe_label _Experiment.NMR_spectral_processing_ID _Experiment.NMR_spectral_processing_label _Experiment.Mass_spectrometer_ID _Experiment.Mass_spectrometer_label _Experiment.Xray_instrument_ID _Experiment.Xray_instrument_label _Experiment.Fluorescence_instrument_ID _Experiment.Fluorescence_instrument_label _Experiment.EMR_instrument_ID _Experiment.EMR_instrument_label _Experiment.Chromatographic_system_ID _Experiment.Chromatographic_system_label _Experiment.Chromatographic_column_ID _Experiment.Chromatographic_column_label _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 '2D 1H-15N HSQC' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 30345 1 2 '2D 1H-15N HSQC' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 30345 1 3 '2D 1H-13C HSQC' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 30345 1 4 '2D 1H-13C HSQC' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 30345 1 5 '3D HNCO' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $NMR_spectrometer_2 . . . . . . . . . . . . . . . . 30345 1 6 '3D Filtered 1H-13C NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $NMR_spectrometer_2 . . . . . . . . . . . . . . . . 30345 1 7 '3D 1H-15N NOESY' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 30345 1 8 '3D 1H-15N NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 30345 1 9 '3D 1H-13C NOESY aliphatic' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 30345 1 10 hbCBcgcdceHE no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 2 $NMR_spectrometer_2 . . . . . . . . . . . . . . . . 30345 1 11 hbCBcgcdceHE no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $NMR_spectrometer_2 . . . . . . . . . . . . . . . . 30345 1 12 hbCBcgcdHD no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 2 $NMR_spectrometer_2 . . . . . . . . . . . . . . . . 30345 1 13 hbCBcgcdHD no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $NMR_spectrometer_2 . . . . . . . . . . . . . . . . 30345 1 14 '3D HCCH-COSY' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 2 $NMR_spectrometer_2 . . . . . . . . . . . . . . . . 30345 1 15 '3D HCCH-COSY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $NMR_spectrometer_2 . . . . . . . . . . . . . . . . 30345 1 16 '3D HBHA(CO)NH' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 2 $NMR_spectrometer_2 . . . . . . . . . . . . . . . . 30345 1 17 '3D HBHA(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $NMR_spectrometer_2 . . . . . . . . . . . . . . . . 30345 1 18 '3D CBCA(CO)NH' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 2 $NMR_spectrometer_2 . . . . . . . . . . . . . . . . 30345 1 19 '3D CBCA(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $NMR_spectrometer_2 . . . . . . . . . . . . . . . . 30345 1 20 '3D HNCA' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 2 $NMR_spectrometer_2 . . . . . . . . . . . . . . . . 30345 1 21 '3D HNCA' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $NMR_spectrometer_2 . . . . . . . . . . . . . . . . 30345 1 22 '3D HNCO' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 2 $NMR_spectrometer_2 . . . . . . . . . . . . . . . . 30345 1 23 '3D CCH-TOCSY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $NMR_spectrometer_2 . . . . . . . . . . . . . . . . 30345 1 24 '3D CCH-TOCSY' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 2 $NMR_spectrometer_2 . . . . . . . . . . . . . . . . 30345 1 25 '3D 1H-13C NOESY aromatic' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 30345 1 26 '3D 1H-13C NOESY aromatic' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 30345 1 27 '3D 1H-13C NOESY aliphatic' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 30345 1 28 '3D Filtered 1H-15N NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $NMR_spectrometer_2 . . . . . . . . . . . . . . . . 30345 1 29 '3D Filtered 1H-13C NOESY' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 2 $NMR_spectrometer_2 . . . . . . . . . . . . . . . . 30345 1 30 '3D Filtered 1H-15N NOESY' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 2 $NMR_spectrometer_2 . . . . . . . . . . . . . . . . 30345 1 stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chem_shift_reference_1 _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chem_shift_reference_1 _Chem_shift_reference.Entry_ID 30345 _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.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C 13 DSS 'methyl protons' . . . . ppm 0.000 external indirect 0.25144953 . . . . . 30345 1 H 1 DSS 'methyl protons' . . . . ppm 0.000 external direct 1.0 . . . . . 30345 1 N 15 DSS 'methyl protons' . . . . ppm 0.000 external indirect 0.10132912 . . . . . 30345 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_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chemical_shifts_1 _Assigned_chem_shift_list.Entry_ID 30345 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chem_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err 0.02 _Assigned_chem_shift_list.Chem_shift_13C_err 0.4 _Assigned_chem_shift_list.Chem_shift_15N_err 0.4 _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 'NOESY analysis' _Assigned_chem_shift_list.Details ; The ambiguity code for most assignments is 1; the assignments are not stereo-specific. The ambiguity code will be 2 for all geminal atoms or geminal methyls, and 3 for all aromatic side-chains. ; _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 1 '2D 1H-15N HSQC' . . . 30345 1 2 '2D 1H-15N HSQC' . . . 30345 1 3 '2D 1H-13C HSQC' . . . 30345 1 4 '2D 1H-13C HSQC' . . . 30345 1 5 '3D HNCO' . . . 30345 1 6 '3D Filtered 1H-13C NOESY' . . . 30345 1 7 '3D 1H-15N NOESY' . . . 30345 1 8 '3D 1H-15N NOESY' . . . 30345 1 9 '3D 1H-13C NOESY aliphatic' . . . 30345 1 10 hbCBcgcdceHE . . . 30345 1 11 hbCBcgcdceHE . . . 30345 1 12 hbCBcgcdHD . . . 30345 1 13 hbCBcgcdHD . . . 30345 1 14 '3D HCCH-COSY' . . . 30345 1 15 '3D HCCH-COSY' . . . 30345 1 16 '3D HBHA(CO)NH' . . . 30345 1 17 '3D HBHA(CO)NH' . . . 30345 1 18 '3D CBCA(CO)NH' . . . 30345 1 19 '3D CBCA(CO)NH' . . . 30345 1 20 '3D HNCA' . . . 30345 1 21 '3D HNCA' . . . 30345 1 22 '3D HNCO' . . . 30345 1 23 '3D CCH-TOCSY' . . . 30345 1 24 '3D CCH-TOCSY' . . . 30345 1 25 '3D 1H-13C NOESY aromatic' . . . 30345 1 26 '3D 1H-13C NOESY aromatic' . . . 30345 1 27 '3D 1H-13C NOESY aliphatic' . . . 30345 1 28 '3D Filtered 1H-15N NOESY' . . . 30345 1 29 '3D Filtered 1H-13C NOESY' . . . 30345 1 30 '3D Filtered 1H-15N NOESY' . . . 30345 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.Ambiguity_set_ID _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 . 2 2 4 4 MET H H 1 8.458 0.020 . . . . . . B 101 MET H1 . 30345 1 2 . 2 2 4 4 MET HA H 1 4.553 0.020 . . . . . . B 101 MET HA . 30345 1 3 . 2 2 4 4 MET HB2 H 1 2.009 0.020 . . . . . . B 101 MET HB2 . 30345 1 4 . 2 2 4 4 MET HB3 H 1 2.130 0.020 . . . . . . B 101 MET HB3 . 30345 1 5 . 2 2 4 4 MET HE1 H 1 2.090 0.020 . . . . . . B 101 MET HE1 . 30345 1 6 . 2 2 4 4 MET HE2 H 1 2.090 0.020 . . . . . . B 101 MET HE2 . 30345 1 7 . 2 2 4 4 MET HE3 H 1 2.090 0.020 . . . . . . B 101 MET HE3 . 30345 1 8 . 2 2 4 4 MET C C 13 175.673 0.400 . . . . . . B 101 MET C . 30345 1 9 . 2 2 4 4 MET CA C 13 55.333 0.400 . . . . . . B 101 MET CA . 30345 1 10 . 2 2 4 4 MET CB C 13 32.749 0.400 . . . . . . B 101 MET CB . 30345 1 11 . 2 2 4 4 MET CE C 13 16.948 0.400 . . . . . . B 101 MET CE . 30345 1 12 . 2 2 4 4 MET N N 15 120.639 0.400 . . . . . . B 101 MET N . 30345 1 13 . 2 2 5 5 SER H H 1 8.147 0.020 . . . . . . B 102 SER H . 30345 1 14 . 2 2 5 5 SER HA H 1 4.337 0.020 . . . . . . B 102 SER HA . 30345 1 15 . 2 2 5 5 SER HB2 H 1 3.849 0.020 . . . . . . B 102 SER HB2 . 30345 1 16 . 2 2 5 5 SER HB3 H 1 3.849 0.020 . . . . . . B 102 SER HB3 . 30345 1 17 . 2 2 5 5 SER C C 13 174.463 0.400 . . . . . . B 102 SER C . 30345 1 18 . 2 2 5 5 SER CA C 13 58.340 0.400 . . . . . . B 102 SER CA . 30345 1 19 . 2 2 5 5 SER CB C 13 63.709 0.400 . . . . . . B 102 SER CB . 30345 1 20 . 2 2 5 5 SER N N 15 116.136 0.400 . . . . . . B 102 SER N . 30345 1 21 . 2 2 6 6 GLU H H 1 8.508 0.020 . . . . . . B 103 GLU H . 30345 1 22 . 2 2 6 6 GLU HA H 1 4.437 0.020 . . . . . . B 103 GLU HA . 30345 1 23 . 2 2 6 6 GLU HB2 H 1 1.946 0.020 . . . . . . B 103 GLU HB2 . 30345 1 24 . 2 2 6 6 GLU HB3 H 1 2.133 0.020 . . . . . . B 103 GLU HB3 . 30345 1 25 . 2 2 6 6 GLU HG2 H 1 2.263 0.020 . . . . . . B 103 GLU HG2 . 30345 1 26 . 2 2 6 6 GLU HG3 H 1 2.263 0.020 . . . . . . B 103 GLU HG3 . 30345 1 27 . 2 2 6 6 GLU C C 13 175.649 0.400 . . . . . . B 103 GLU C . 30345 1 28 . 2 2 6 6 GLU CA C 13 56.248 0.400 . . . . . . B 103 GLU CA . 30345 1 29 . 2 2 6 6 GLU CB C 13 31.736 0.400 . . . . . . B 103 GLU CB . 30345 1 30 . 2 2 6 6 GLU CG C 13 36.781 0.400 . . . . . . B 103 GLU CG . 30345 1 31 . 2 2 6 6 GLU N N 15 123.384 0.400 . . . . . . B 103 GLU N . 30345 1 32 . 2 2 7 7 ARG H H 1 8.506 0.020 . . . . . . B 104 ARG H . 30345 1 33 . 2 2 7 7 ARG HA H 1 4.711 0.020 . . . . . . B 104 ARG HA . 30345 1 34 . 2 2 7 7 ARG HB2 H 1 1.592 0.020 . . . . . . B 104 ARG HB2 . 30345 1 35 . 2 2 7 7 ARG HB3 H 1 1.592 0.020 . . . . . . B 104 ARG HB3 . 30345 1 36 . 2 2 7 7 ARG HG2 H 1 1.368 0.020 . . . . . . B 104 ARG HG2 . 30345 1 37 . 2 2 7 7 ARG HG3 H 1 1.368 0.020 . . . . . . B 104 ARG HG3 . 30345 1 38 . 2 2 7 7 ARG HD2 H 1 3.004 0.020 . . . . . . B 104 ARG HD2 . 30345 1 39 . 2 2 7 7 ARG HD3 H 1 3.004 0.020 . . . . . . B 104 ARG HD3 . 30345 1 40 . 2 2 7 7 ARG C C 13 175.044 0.400 . . . . . . B 104 ARG C . 30345 1 41 . 2 2 7 7 ARG CA C 13 54.767 0.400 . . . . . . B 104 ARG CA . 30345 1 42 . 2 2 7 7 ARG CB C 13 32.002 0.400 . . . . . . B 104 ARG CB . 30345 1 43 . 2 2 7 7 ARG CG C 13 27.190 0.400 . . . . . . B 104 ARG CG . 30345 1 44 . 2 2 7 7 ARG CD C 13 43.374 0.400 . . . . . . B 104 ARG CD . 30345 1 45 . 2 2 7 7 ARG N N 15 121.497 0.400 . . . . . . B 104 ARG N . 30345 1 46 . 2 2 8 8 ILE H H 1 8.755 0.020 . . . . . . B 105 ILE H . 30345 1 47 . 2 2 8 8 ILE HA H 1 4.361 0.020 . . . . . . B 105 ILE HA . 30345 1 48 . 2 2 8 8 ILE HB H 1 1.241 0.020 . . . . . . B 105 ILE HB . 30345 1 49 . 2 2 8 8 ILE HG12 H 1 -0.125 0.020 . . . . . . B 105 ILE HG12 . 30345 1 50 . 2 2 8 8 ILE HG13 H 1 0.802 0.020 . . . . . . B 105 ILE HG13 . 30345 1 51 . 2 2 8 8 ILE HG21 H 1 -0.091 0.020 . . . . . . B 105 ILE HG21 . 30345 1 52 . 2 2 8 8 ILE HG22 H 1 -0.091 0.020 . . . . . . B 105 ILE HG22 . 30345 1 53 . 2 2 8 8 ILE HG23 H 1 -0.091 0.020 . . . . . . B 105 ILE HG23 . 30345 1 54 . 2 2 8 8 ILE HD11 H 1 -0.571 0.020 . . . . . . B 105 ILE HD11 . 30345 1 55 . 2 2 8 8 ILE HD12 H 1 -0.571 0.020 . . . . . . B 105 ILE HD12 . 30345 1 56 . 2 2 8 8 ILE HD13 H 1 -0.571 0.020 . . . . . . B 105 ILE HD13 . 30345 1 57 . 2 2 8 8 ILE C C 13 175.005 0.400 . . . . . . B 105 ILE C . 30345 1 58 . 2 2 8 8 ILE CA C 13 59.883 0.400 . . . . . . B 105 ILE CA . 30345 1 59 . 2 2 8 8 ILE CB C 13 39.900 0.400 . . . . . . B 105 ILE CB . 30345 1 60 . 2 2 8 8 ILE CG1 C 13 26.679 0.400 . . . . . . B 105 ILE CG1 . 30345 1 61 . 2 2 8 8 ILE CG2 C 13 17.724 0.400 . . . . . . B 105 ILE CG2 . 30345 1 62 . 2 2 8 8 ILE CD1 C 13 13.895 0.400 . . . . . . B 105 ILE CD1 . 30345 1 63 . 2 2 8 8 ILE N N 15 120.654 0.400 . . . . . . B 105 ILE N . 30345 1 64 . 2 2 9 9 ARG H H 1 8.805 0.020 . . . . . . B 106 ARG H . 30345 1 65 . 2 2 9 9 ARG HA H 1 4.802 0.020 . . . . . . B 106 ARG HA . 30345 1 66 . 2 2 9 9 ARG HB2 H 1 2.318 0.020 . . . . . . B 106 ARG HB2 . 30345 1 67 . 2 2 9 9 ARG HB3 H 1 1.489 0.020 . . . . . . B 106 ARG HB3 . 30345 1 68 . 2 2 9 9 ARG HG2 H 1 1.197 0.020 . . . . . . B 106 ARG HG2 . 30345 1 69 . 2 2 9 9 ARG HG3 H 1 1.197 0.020 . . . . . . B 106 ARG HG3 . 30345 1 70 . 2 2 9 9 ARG HD2 H 1 2.926 0.020 . . . . . . B 106 ARG HD2 . 30345 1 71 . 2 2 9 9 ARG HD3 H 1 2.926 0.020 . . . . . . B 106 ARG HD3 . 30345 1 72 . 2 2 9 9 ARG C C 13 174.787 0.400 . . . . . . B 106 ARG C . 30345 1 73 . 2 2 9 9 ARG CA C 13 55.812 0.400 . . . . . . B 106 ARG CA . 30345 1 74 . 2 2 9 9 ARG CB C 13 30.789 0.400 . . . . . . B 106 ARG CB . 30345 1 75 . 2 2 9 9 ARG CG C 13 27.177 0.400 . . . . . . B 106 ARG CG . 30345 1 76 . 2 2 9 9 ARG CD C 13 42.610 0.400 . . . . . . B 106 ARG CD . 30345 1 77 . 2 2 9 9 ARG N N 15 125.329 0.400 . . . . . . B 106 ARG N . 30345 1 78 . 2 2 10 10 VAL H H 1 9.003 0.020 . . . . . . B 107 VAL H . 30345 1 79 . 2 2 10 10 VAL HA H 1 5.543 0.020 . . . . . . B 107 VAL HA . 30345 1 80 . 2 2 10 10 VAL HB H 1 1.768 0.020 . . . . . . B 107 VAL HB . 30345 1 81 . 2 2 10 10 VAL HG11 H 1 0.617 0.020 . . . . . . B 107 VAL HG11 . 30345 1 82 . 2 2 10 10 VAL HG12 H 1 0.617 0.020 . . . . . . B 107 VAL HG12 . 30345 1 83 . 2 2 10 10 VAL HG13 H 1 0.617 0.020 . . . . . . B 107 VAL HG13 . 30345 1 84 . 2 2 10 10 VAL HG21 H 1 0.769 0.020 . . . . . . B 107 VAL HG21 . 30345 1 85 . 2 2 10 10 VAL HG22 H 1 0.769 0.020 . . . . . . B 107 VAL HG22 . 30345 1 86 . 2 2 10 10 VAL HG23 H 1 0.769 0.020 . . . . . . B 107 VAL HG23 . 30345 1 87 . 2 2 10 10 VAL C C 13 173.947 0.400 . . . . . . B 107 VAL C . 30345 1 88 . 2 2 10 10 VAL CA C 13 59.927 0.400 . . . . . . B 107 VAL CA . 30345 1 89 . 2 2 10 10 VAL CB C 13 35.284 0.400 . . . . . . B 107 VAL CB . 30345 1 90 . 2 2 10 10 VAL CG1 C 13 24.076 0.400 . . . . . . B 107 VAL CG1 . 30345 1 91 . 2 2 10 10 VAL CG2 C 13 22.464 0.400 . . . . . . B 107 VAL CG2 . 30345 1 92 . 2 2 10 10 VAL N N 15 122.734 0.400 . . . . . . B 107 VAL N . 30345 1 93 . 2 2 11 11 THR H H 1 8.730 0.020 . . . . . . B 108 THR H . 30345 1 94 . 2 2 11 11 THR HA H 1 5.073 0.020 . . . . . . B 108 THR HA . 30345 1 95 . 2 2 11 11 THR HB H 1 3.749 0.020 . . . . . . B 108 THR HB . 30345 1 96 . 2 2 11 11 THR HG21 H 1 0.926 0.020 . . . . . . B 108 THR HG21 . 30345 1 97 . 2 2 11 11 THR HG22 H 1 0.926 0.020 . . . . . . B 108 THR HG22 . 30345 1 98 . 2 2 11 11 THR HG23 H 1 0.926 0.020 . . . . . . B 108 THR HG23 . 30345 1 99 . 2 2 11 11 THR C C 13 171.732 0.400 . . . . . . B 108 THR C . 30345 1 100 . 2 2 11 11 THR CA C 13 58.017 0.400 . . . . . . B 108 THR CA . 30345 1 101 . 2 2 11 11 THR CB C 13 71.698 0.400 . . . . . . B 108 THR CB . 30345 1 102 . 2 2 11 11 THR CG2 C 13 20.778 0.400 . . . . . . B 108 THR CG2 . 30345 1 103 . 2 2 11 11 THR N N 15 118.165 0.400 . . . . . . B 108 THR N . 30345 1 104 . 2 2 12 12 GLU H H 1 8.698 0.020 . . . . . . B 109 GLU H . 30345 1 105 . 2 2 12 12 GLU HA H 1 4.374 0.020 . . . . . . B 109 GLU HA . 30345 1 106 . 2 2 12 12 GLU HB2 H 1 2.130 0.020 . . . . . . B 109 GLU HB2 . 30345 1 107 . 2 2 12 12 GLU HB3 H 1 2.264 0.020 . . . . . . B 109 GLU HB3 . 30345 1 108 . 2 2 12 12 GLU HG2 H 1 2.398 0.020 . . . . . . B 109 GLU HG2 . 30345 1 109 . 2 2 12 12 GLU HG3 H 1 2.398 0.020 . . . . . . B 109 GLU HG3 . 30345 1 110 . 2 2 12 12 GLU C C 13 175.797 0.400 . . . . . . B 109 GLU C . 30345 1 111 . 2 2 12 12 GLU CA C 13 57.075 0.400 . . . . . . B 109 GLU CA . 30345 1 112 . 2 2 12 12 GLU CB C 13 30.675 0.400 . . . . . . B 109 GLU CB . 30345 1 113 . 2 2 12 12 GLU CG C 13 36.851 0.400 . . . . . . B 109 GLU CG . 30345 1 114 . 2 2 12 12 GLU N N 15 121.891 0.400 . . . . . . B 109 GLU N . 30345 1 115 . 2 2 13 13 ASP H H 1 7.954 0.020 . . . . . . B 110 ASP H . 30345 1 116 . 2 2 13 13 ASP HA H 1 4.681 0.020 . . . . . . B 110 ASP HA . 30345 1 117 . 2 2 13 13 ASP HB2 H 1 2.577 0.020 . . . . . . B 110 ASP HB2 . 30345 1 118 . 2 2 13 13 ASP HB3 H 1 2.675 0.020 . . . . . . B 110 ASP HB3 . 30345 1 119 . 2 2 13 13 ASP C C 13 176.232 0.400 . . . . . . B 110 ASP C . 30345 1 120 . 2 2 13 13 ASP CA C 13 53.565 0.400 . . . . . . B 110 ASP CA . 30345 1 121 . 2 2 13 13 ASP CB C 13 44.609 0.400 . . . . . . B 110 ASP CB . 30345 1 122 . 2 2 13 13 ASP N N 15 119.607 0.400 . . . . . . B 110 ASP N . 30345 1 123 . 2 2 14 14 GLU H H 1 9.254 0.020 . . . . . . B 111 GLU H . 30345 1 124 . 2 2 14 14 GLU HA H 1 3.844 0.020 . . . . . . B 111 GLU HA . 30345 1 125 . 2 2 14 14 GLU HB2 H 1 2.017 0.020 . . . . . . B 111 GLU HB2 . 30345 1 126 . 2 2 14 14 GLU HB3 H 1 2.017 0.020 . . . . . . B 111 GLU HB3 . 30345 1 127 . 2 2 14 14 GLU HG2 H 1 2.188 0.020 . . . . . . B 111 GLU HG2 . 30345 1 128 . 2 2 14 14 GLU HG3 H 1 2.188 0.020 . . . . . . B 111 GLU HG3 . 30345 1 129 . 2 2 14 14 GLU C C 13 176.124 0.400 . . . . . . B 111 GLU C . 30345 1 130 . 2 2 14 14 GLU CA C 13 59.760 0.400 . . . . . . B 111 GLU CA . 30345 1 131 . 2 2 14 14 GLU CB C 13 30.062 0.400 . . . . . . B 111 GLU CB . 30345 1 132 . 2 2 14 14 GLU CG C 13 37.361 0.400 . . . . . . B 111 GLU CG . 30345 1 133 . 2 2 14 14 GLU N N 15 126.525 0.400 . . . . . . B 111 GLU N . 30345 1 134 . 2 2 15 15 ASN H H 1 9.114 0.020 . . . . . . B 112 ASN H . 30345 1 135 . 2 2 15 15 ASN HA H 1 4.736 0.020 . . . . . . B 112 ASN HA . 30345 1 136 . 2 2 15 15 ASN HB2 H 1 2.657 0.020 . . . . . . B 112 ASN HB2 . 30345 1 137 . 2 2 15 15 ASN HB3 H 1 2.852 0.020 . . . . . . B 112 ASN HB3 . 30345 1 138 . 2 2 15 15 ASN HD21 H 1 7.958 0.020 . . . . . . B 112 ASN HD21 . 30345 1 139 . 2 2 15 15 ASN HD22 H 1 6.956 0.020 . . . . . . B 112 ASN HD22 . 30345 1 140 . 2 2 15 15 ASN C C 13 174.902 0.400 . . . . . . B 112 ASN C . 30345 1 141 . 2 2 15 15 ASN CA C 13 54.067 0.400 . . . . . . B 112 ASN CA . 30345 1 142 . 2 2 15 15 ASN CB C 13 39.278 0.400 . . . . . . B 112 ASN CB . 30345 1 143 . 2 2 15 15 ASN N N 15 116.679 0.400 . . . . . . B 112 ASN N . 30345 1 144 . 2 2 15 15 ASN ND2 N 15 115.481 0.400 . . . . . . B 112 ASN ND2 . 30345 1 145 . 2 2 16 16 ASP H H 1 8.056 0.020 . . . . . . B 113 ASP H . 30345 1 146 . 2 2 16 16 ASP HA H 1 4.901 0.020 . . . . . . B 113 ASP HA . 30345 1 147 . 2 2 16 16 ASP HB2 H 1 2.789 0.020 . . . . . . B 113 ASP HB2 . 30345 1 148 . 2 2 16 16 ASP HB3 H 1 2.825 0.020 . . . . . . B 113 ASP HB3 . 30345 1 149 . 2 2 16 16 ASP C C 13 175.841 0.400 . . . . . . B 113 ASP C . 30345 1 150 . 2 2 16 16 ASP CA C 13 52.985 0.400 . . . . . . B 113 ASP CA . 30345 1 151 . 2 2 16 16 ASP CB C 13 42.179 0.400 . . . . . . B 113 ASP CB . 30345 1 152 . 2 2 16 16 ASP N N 15 121.124 0.400 . . . . . . B 113 ASP N . 30345 1 153 . 2 2 17 17 GLU H H 1 8.634 0.020 . . . . . . B 114 GLU H . 30345 1 154 . 2 2 17 17 GLU HA H 1 4.489 0.020 . . . . . . B 114 GLU HA . 30345 1 155 . 2 2 17 17 GLU HB2 H 1 1.996 0.020 . . . . . . B 114 GLU HB2 . 30345 1 156 . 2 2 17 17 GLU HB3 H 1 1.996 0.020 . . . . . . B 114 GLU HB3 . 30345 1 157 . 2 2 17 17 GLU HG2 H 1 2.415 0.020 . . . . . . B 114 GLU HG2 . 30345 1 158 . 2 2 17 17 GLU HG3 H 1 2.415 0.020 . . . . . . B 114 GLU HG3 . 30345 1 159 . 2 2 17 17 GLU CA C 13 54.349 0.400 . . . . . . B 114 GLU CA . 30345 1 160 . 2 2 17 17 GLU CB C 13 29.719 0.400 . . . . . . B 114 GLU CB . 30345 1 161 . 2 2 17 17 GLU CG C 13 35.539 0.400 . . . . . . B 114 GLU CG . 30345 1 162 . 2 2 17 17 GLU N N 15 123.515 0.400 . . . . . . B 114 GLU N . 30345 1 163 . 2 2 18 18 PRO HA H 1 4.739 0.020 . . . . . . B 115 PRO HA . 30345 1 164 . 2 2 18 18 PRO HB2 H 1 1.860 0.020 . . . . . . B 115 PRO HB2 . 30345 1 165 . 2 2 18 18 PRO HB3 H 1 2.005 0.020 . . . . . . B 115 PRO HB3 . 30345 1 166 . 2 2 18 18 PRO HG2 H 1 1.870 0.020 . . . . . . B 115 PRO HG2 . 30345 1 167 . 2 2 18 18 PRO HG3 H 1 1.978 0.020 . . . . . . B 115 PRO HG3 . 30345 1 168 . 2 2 18 18 PRO HD2 H 1 3.707 0.020 . . . . . . B 115 PRO HD2 . 30345 1 169 . 2 2 18 18 PRO HD3 H 1 4.032 0.020 . . . . . . B 115 PRO HD3 . 30345 1 170 . 2 2 18 18 PRO C C 13 176.620 0.400 . . . . . . B 115 PRO C . 30345 1 171 . 2 2 18 18 PRO CA C 13 62.483 0.400 . . . . . . B 115 PRO CA . 30345 1 172 . 2 2 18 18 PRO CB C 13 33.564 0.400 . . . . . . B 115 PRO CB . 30345 1 173 . 2 2 18 18 PRO CG C 13 27.313 0.400 . . . . . . B 115 PRO CG . 30345 1 174 . 2 2 18 18 PRO CD C 13 51.000 0.400 . . . . . . B 115 PRO CD . 30345 1 175 . 2 2 19 19 ILE H H 1 9.162 0.020 . . . . . . B 116 ILE H . 30345 1 176 . 2 2 19 19 ILE HA H 1 4.548 0.020 . . . . . . B 116 ILE HA . 30345 1 177 . 2 2 19 19 ILE HB H 1 1.995 0.020 . . . . . . B 116 ILE HB . 30345 1 178 . 2 2 19 19 ILE HG12 H 1 1.377 0.020 . . . . . . B 116 ILE HG12 . 30345 1 179 . 2 2 19 19 ILE HG13 H 1 1.524 0.020 . . . . . . B 116 ILE HG13 . 30345 1 180 . 2 2 19 19 ILE HG21 H 1 0.966 0.020 . . . . . . B 116 ILE HG21 . 30345 1 181 . 2 2 19 19 ILE HG22 H 1 0.966 0.020 . . . . . . B 116 ILE HG22 . 30345 1 182 . 2 2 19 19 ILE HG23 H 1 0.966 0.020 . . . . . . B 116 ILE HG23 . 30345 1 183 . 2 2 19 19 ILE HD11 H 1 0.791 0.020 . . . . . . B 116 ILE HD11 . 30345 1 184 . 2 2 19 19 ILE HD12 H 1 0.791 0.020 . . . . . . B 116 ILE HD12 . 30345 1 185 . 2 2 19 19 ILE HD13 H 1 0.791 0.020 . . . . . . B 116 ILE HD13 . 30345 1 186 . 2 2 19 19 ILE C C 13 175.123 0.400 . . . . . . B 116 ILE C . 30345 1 187 . 2 2 19 19 ILE CA C 13 59.707 0.400 . . . . . . B 116 ILE CA . 30345 1 188 . 2 2 19 19 ILE CB C 13 40.429 0.400 . . . . . . B 116 ILE CB . 30345 1 189 . 2 2 19 19 ILE CG1 C 13 27.103 0.400 . . . . . . B 116 ILE CG1 . 30345 1 190 . 2 2 19 19 ILE CG2 C 13 18.220 0.400 . . . . . . B 116 ILE CG2 . 30345 1 191 . 2 2 19 19 ILE CD1 C 13 14.216 0.400 . . . . . . B 116 ILE CD1 . 30345 1 192 . 2 2 19 19 ILE N N 15 118.484 0.400 . . . . . . B 116 ILE N . 30345 1 193 . 2 2 20 20 GLU H H 1 8.299 0.020 . . . . . . B 117 GLU H . 30345 1 194 . 2 2 20 20 GLU HA H 1 5.184 0.020 . . . . . . B 117 GLU HA . 30345 1 195 . 2 2 20 20 GLU HB2 H 1 1.925 0.020 . . . . . . B 117 GLU HB2 . 30345 1 196 . 2 2 20 20 GLU HB3 H 1 1.539 0.020 . . . . . . B 117 GLU HB3 . 30345 1 197 . 2 2 20 20 GLU HG2 H 1 1.885 0.020 . . . . . . B 117 GLU HG2 . 30345 1 198 . 2 2 20 20 GLU HG3 H 1 1.885 0.020 . . . . . . B 117 GLU HG3 . 30345 1 199 . 2 2 20 20 GLU C C 13 176.502 0.400 . . . . . . B 117 GLU C . 30345 1 200 . 2 2 20 20 GLU CA C 13 55.111 0.400 . . . . . . B 117 GLU CA . 30345 1 201 . 2 2 20 20 GLU CB C 13 31.632 0.400 . . . . . . B 117 GLU CB . 30345 1 202 . 2 2 20 20 GLU CG C 13 37.001 0.400 . . . . . . B 117 GLU CG . 30345 1 203 . 2 2 20 20 GLU N N 15 120.403 0.400 . . . . . . B 117 GLU N . 30345 1 204 . 2 2 21 21 ILE H H 1 9.167 0.020 . . . . . . B 118 ILE H . 30345 1 205 . 2 2 21 21 ILE HA H 1 4.662 0.020 . . . . . . B 118 ILE HA . 30345 1 206 . 2 2 21 21 ILE HB H 1 1.668 0.020 . . . . . . B 118 ILE HB . 30345 1 207 . 2 2 21 21 ILE HG12 H 1 1.312 0.020 . . . . . . B 118 ILE HG12 . 30345 1 208 . 2 2 21 21 ILE HG13 H 1 1.151 0.020 . . . . . . B 118 ILE HG13 . 30345 1 209 . 2 2 21 21 ILE HG21 H 1 0.715 0.020 . . . . . . B 118 ILE HG21 . 30345 1 210 . 2 2 21 21 ILE HG22 H 1 0.715 0.020 . . . . . . B 118 ILE HG22 . 30345 1 211 . 2 2 21 21 ILE HG23 H 1 0.715 0.020 . . . . . . B 118 ILE HG23 . 30345 1 212 . 2 2 21 21 ILE HD11 H 1 0.672 0.020 . . . . . . B 118 ILE HD11 . 30345 1 213 . 2 2 21 21 ILE HD12 H 1 0.672 0.020 . . . . . . B 118 ILE HD12 . 30345 1 214 . 2 2 21 21 ILE HD13 H 1 0.672 0.020 . . . . . . B 118 ILE HD13 . 30345 1 215 . 2 2 21 21 ILE CA C 13 56.713 0.400 . . . . . . B 118 ILE CA . 30345 1 216 . 2 2 21 21 ILE CB C 13 39.771 0.400 . . . . . . B 118 ILE CB . 30345 1 217 . 2 2 21 21 ILE CG1 C 13 26.437 0.400 . . . . . . B 118 ILE CG1 . 30345 1 218 . 2 2 21 21 ILE CG2 C 13 16.808 0.400 . . . . . . B 118 ILE CG2 . 30345 1 219 . 2 2 21 21 ILE CD1 C 13 13.405 0.400 . . . . . . B 118 ILE CD1 . 30345 1 220 . 2 2 21 21 ILE N N 15 122.969 0.400 . . . . . . B 118 ILE N . 30345 1 221 . 2 2 22 22 PRO HA H 1 4.028 0.020 . . . . . . B 119 PRO HA . 30345 1 222 . 2 2 22 22 PRO HB2 H 1 1.915 0.020 . . . . . . B 119 PRO HB2 . 30345 1 223 . 2 2 22 22 PRO HB3 H 1 1.590 0.020 . . . . . . B 119 PRO HB3 . 30345 1 224 . 2 2 22 22 PRO HG2 H 1 1.924 0.020 . . . . . . B 119 PRO HG2 . 30345 1 225 . 2 2 22 22 PRO HG3 H 1 1.924 0.020 . . . . . . B 119 PRO HG3 . 30345 1 226 . 2 2 22 22 PRO HD2 H 1 3.885 0.020 . . . . . . B 119 PRO HD2 . 30345 1 227 . 2 2 22 22 PRO HD3 H 1 3.687 0.020 . . . . . . B 119 PRO HD3 . 30345 1 228 . 2 2 22 22 PRO C C 13 176.041 0.400 . . . . . . B 119 PRO C . 30345 1 229 . 2 2 22 22 PRO CA C 13 62.544 0.400 . . . . . . B 119 PRO CA . 30345 1 230 . 2 2 22 22 PRO CB C 13 31.915 0.400 . . . . . . B 119 PRO CB . 30345 1 231 . 2 2 22 22 PRO CG C 13 27.406 0.400 . . . . . . B 119 PRO CG . 30345 1 232 . 2 2 22 22 PRO CD C 13 51.079 0.400 . . . . . . B 119 PRO CD . 30345 1 233 . 2 2 23 23 SER H H 1 8.114 0.020 . . . . . . B 120 SER H . 30345 1 234 . 2 2 23 23 SER HA H 1 4.547 0.020 . . . . . . B 120 SER HA . 30345 1 235 . 2 2 23 23 SER HB2 H 1 3.397 0.020 . . . . . . B 120 SER HB2 . 30345 1 236 . 2 2 23 23 SER HB3 H 1 4.059 0.020 . . . . . . B 120 SER HB3 . 30345 1 237 . 2 2 23 23 SER C C 13 175.364 0.400 . . . . . . B 120 SER C . 30345 1 238 . 2 2 23 23 SER CA C 13 57.046 0.400 . . . . . . B 120 SER CA . 30345 1 239 . 2 2 23 23 SER CB C 13 65.602 0.400 . . . . . . B 120 SER CB . 30345 1 240 . 2 2 23 23 SER N N 15 114.931 0.400 . . . . . . B 120 SER N . 30345 1 241 . 2 2 24 24 GLU H H 1 9.319 0.020 . . . . . . B 121 GLU H . 30345 1 242 . 2 2 24 24 GLU HA H 1 4.404 0.020 . . . . . . B 121 GLU HA . 30345 1 243 . 2 2 24 24 GLU HB2 H 1 2.173 0.020 . . . . . . B 121 GLU HB2 . 30345 1 244 . 2 2 24 24 GLU HB3 H 1 2.294 0.020 . . . . . . B 121 GLU HB3 . 30345 1 245 . 2 2 24 24 GLU HG2 H 1 2.178 0.020 . . . . . . B 121 GLU HG2 . 30345 1 246 . 2 2 24 24 GLU HG3 H 1 2.178 0.020 . . . . . . B 121 GLU HG3 . 30345 1 247 . 2 2 24 24 GLU C C 13 179.065 0.400 . . . . . . B 121 GLU C . 30345 1 248 . 2 2 24 24 GLU CA C 13 55.220 0.400 . . . . . . B 121 GLU CA . 30345 1 249 . 2 2 24 24 GLU CB C 13 30.815 0.400 . . . . . . B 121 GLU CB . 30345 1 250 . 2 2 24 24 GLU CG C 13 36.461 0.400 . . . . . . B 121 GLU CG . 30345 1 251 . 2 2 24 24 GLU N N 15 118.626 0.400 . . . . . . B 121 GLU N . 30345 1 252 . 2 2 25 25 ASP H H 1 9.116 0.020 . . . . . . B 122 ASP H . 30345 1 253 . 2 2 25 25 ASP HA H 1 4.371 0.020 . . . . . . B 122 ASP HA . 30345 1 254 . 2 2 25 25 ASP HB2 H 1 2.709 0.020 . . . . . . B 122 ASP HB2 . 30345 1 255 . 2 2 25 25 ASP HB3 H 1 2.709 0.020 . . . . . . B 122 ASP HB3 . 30345 1 256 . 2 2 25 25 ASP C C 13 176.205 0.400 . . . . . . B 122 ASP C . 30345 1 257 . 2 2 25 25 ASP CA C 13 57.204 0.400 . . . . . . B 122 ASP CA . 30345 1 258 . 2 2 25 25 ASP CB C 13 40.240 0.400 . . . . . . B 122 ASP CB . 30345 1 259 . 2 2 25 25 ASP N N 15 122.490 0.400 . . . . . . B 122 ASP N . 30345 1 260 . 2 2 26 26 ASP H H 1 7.653 0.020 . . . . . . B 123 ASP H . 30345 1 261 . 2 2 26 26 ASP HA H 1 4.557 0.020 . . . . . . B 123 ASP HA . 30345 1 262 . 2 2 26 26 ASP HB2 H 1 2.600 0.020 . . . . . . B 123 ASP HB2 . 30345 1 263 . 2 2 26 26 ASP HB3 H 1 3.090 0.020 . . . . . . B 123 ASP HB3 . 30345 1 264 . 2 2 26 26 ASP C C 13 177.602 0.400 . . . . . . B 123 ASP C . 30345 1 265 . 2 2 26 26 ASP CA C 13 52.927 0.400 . . . . . . B 123 ASP CA . 30345 1 266 . 2 2 26 26 ASP CB C 13 40.286 0.400 . . . . . . B 123 ASP CB . 30345 1 267 . 2 2 26 26 ASP N N 15 115.496 0.400 . . . . . . B 123 ASP N . 30345 1 268 . 2 2 27 27 GLY H H 1 8.245 0.020 . . . . . . B 124 GLY H . 30345 1 269 . 2 2 27 27 GLY HA2 H 1 3.996 0.020 . . . . . . B 124 GLY HA2 . 30345 1 270 . 2 2 27 27 GLY HA3 H 1 4.368 0.020 . . . . . . B 124 GLY HA3 . 30345 1 271 . 2 2 27 27 GLY C C 13 175.375 0.400 . . . . . . B 124 GLY C . 30345 1 272 . 2 2 27 27 GLY CA C 13 45.829 0.400 . . . . . . B 124 GLY CA . 30345 1 273 . 2 2 27 27 GLY N N 15 107.864 0.400 . . . . . . B 124 GLY N . 30345 1 274 . 2 2 28 28 THR H H 1 7.915 0.020 . . . . . . B 125 THR H . 30345 1 275 . 2 2 28 28 THR HA H 1 4.852 0.020 . . . . . . B 125 THR HA . 30345 1 276 . 2 2 28 28 THR HB H 1 3.970 0.020 . . . . . . B 125 THR HB . 30345 1 277 . 2 2 28 28 THR HG21 H 1 0.716 0.020 . . . . . . B 125 THR HG21 . 30345 1 278 . 2 2 28 28 THR HG22 H 1 0.716 0.020 . . . . . . B 125 THR HG22 . 30345 1 279 . 2 2 28 28 THR HG23 H 1 0.716 0.020 . . . . . . B 125 THR HG23 . 30345 1 280 . 2 2 28 28 THR C C 13 172.824 0.400 . . . . . . B 125 THR C . 30345 1 281 . 2 2 28 28 THR CA C 13 61.537 0.400 . . . . . . B 125 THR CA . 30345 1 282 . 2 2 28 28 THR CB C 13 71.287 0.400 . . . . . . B 125 THR CB . 30345 1 283 . 2 2 28 28 THR CG2 C 13 21.571 0.400 . . . . . . B 125 THR CG2 . 30345 1 284 . 2 2 28 28 THR N N 15 113.335 0.400 . . . . . . B 125 THR N . 30345 1 285 . 2 2 29 29 VAL H H 1 8.445 0.020 . . . . . . B 126 VAL H . 30345 1 286 . 2 2 29 29 VAL HA H 1 4.450 0.020 . . . . . . B 126 VAL HA . 30345 1 287 . 2 2 29 29 VAL HB H 1 1.520 0.020 . . . . . . B 126 VAL HB . 30345 1 288 . 2 2 29 29 VAL HG11 H 1 0.300 0.020 . . . . . . B 126 VAL HG11 . 30345 1 289 . 2 2 29 29 VAL HG12 H 1 0.300 0.020 . . . . . . B 126 VAL HG12 . 30345 1 290 . 2 2 29 29 VAL HG13 H 1 0.300 0.020 . . . . . . B 126 VAL HG13 . 30345 1 291 . 2 2 29 29 VAL HG21 H 1 0.505 0.020 . . . . . . B 126 VAL HG21 . 30345 1 292 . 2 2 29 29 VAL HG22 H 1 0.505 0.020 . . . . . . B 126 VAL HG22 . 30345 1 293 . 2 2 29 29 VAL HG23 H 1 0.505 0.020 . . . . . . B 126 VAL HG23 . 30345 1 294 . 2 2 29 29 VAL C C 13 174.883 0.400 . . . . . . B 126 VAL C . 30345 1 295 . 2 2 29 29 VAL CA C 13 61.042 0.400 . . . . . . B 126 VAL CA . 30345 1 296 . 2 2 29 29 VAL CB C 13 35.491 0.400 . . . . . . B 126 VAL CB . 30345 1 297 . 2 2 29 29 VAL CG1 C 13 21.926 0.400 . . . . . . B 126 VAL CG1 . 30345 1 298 . 2 2 29 29 VAL CG2 C 13 20.840 0.400 . . . . . . B 126 VAL CG2 . 30345 1 299 . 2 2 29 29 VAL N N 15 117.114 0.400 . . . . . . B 126 VAL N . 30345 1 300 . 2 2 30 30 LEU H H 1 8.566 0.020 . . . . . . B 127 LEU H . 30345 1 301 . 2 2 30 30 LEU HA H 1 4.518 0.020 . . . . . . B 127 LEU HA . 30345 1 302 . 2 2 30 30 LEU HB2 H 1 1.746 0.020 . . . . . . B 127 LEU HB2 . 30345 1 303 . 2 2 30 30 LEU HB3 H 1 2.012 0.020 . . . . . . B 127 LEU HB3 . 30345 1 304 . 2 2 30 30 LEU HG H 1 1.655 0.020 . . . . . . B 127 LEU HG . 30345 1 305 . 2 2 30 30 LEU HD11 H 1 0.835 0.020 . . . . . . B 127 LEU HD11 . 30345 1 306 . 2 2 30 30 LEU HD12 H 1 0.835 0.020 . . . . . . B 127 LEU HD12 . 30345 1 307 . 2 2 30 30 LEU HD13 H 1 0.835 0.020 . . . . . . B 127 LEU HD13 . 30345 1 308 . 2 2 30 30 LEU HD21 H 1 0.852 0.020 . . . . . . B 127 LEU HD21 . 30345 1 309 . 2 2 30 30 LEU HD22 H 1 0.852 0.020 . . . . . . B 127 LEU HD22 . 30345 1 310 . 2 2 30 30 LEU HD23 H 1 0.852 0.020 . . . . . . B 127 LEU HD23 . 30345 1 311 . 2 2 30 30 LEU C C 13 179.029 0.400 . . . . . . B 127 LEU C . 30345 1 312 . 2 2 30 30 LEU CA C 13 55.335 0.400 . . . . . . B 127 LEU CA . 30345 1 313 . 2 2 30 30 LEU CB C 13 40.697 0.400 . . . . . . B 127 LEU CB . 30345 1 314 . 2 2 30 30 LEU CG C 13 27.288 0.400 . . . . . . B 127 LEU CG . 30345 1 315 . 2 2 30 30 LEU CD1 C 13 25.279 0.400 . . . . . . B 127 LEU CD1 . 30345 1 316 . 2 2 30 30 LEU CD2 C 13 23.276 0.400 . . . . . . B 127 LEU CD2 . 30345 1 317 . 2 2 30 30 LEU N N 15 126.814 0.400 . . . . . . B 127 LEU N . 30345 1 318 . 2 2 31 31 LEU H H 1 8.715 0.020 . . . . . . B 128 LEU H . 30345 1 319 . 2 2 31 31 LEU HA H 1 4.014 0.020 . . . . . . B 128 LEU HA . 30345 1 320 . 2 2 31 31 LEU HB2 H 1 1.104 0.020 . . . . . . B 128 LEU HB2 . 30345 1 321 . 2 2 31 31 LEU HB3 H 1 1.932 0.020 . . . . . . B 128 LEU HB3 . 30345 1 322 . 2 2 31 31 LEU HG H 1 1.702 0.020 . . . . . . B 128 LEU HG . 30345 1 323 . 2 2 31 31 LEU HD11 H 1 0.918 0.020 . . . . . . B 128 LEU HD11 . 30345 1 324 . 2 2 31 31 LEU HD12 H 1 0.918 0.020 . . . . . . B 128 LEU HD12 . 30345 1 325 . 2 2 31 31 LEU HD13 H 1 0.918 0.020 . . . . . . B 128 LEU HD13 . 30345 1 326 . 2 2 31 31 LEU HD21 H 1 0.669 0.020 . . . . . . B 128 LEU HD21 . 30345 1 327 . 2 2 31 31 LEU HD22 H 1 0.669 0.020 . . . . . . B 128 LEU HD22 . 30345 1 328 . 2 2 31 31 LEU HD23 H 1 0.669 0.020 . . . . . . B 128 LEU HD23 . 30345 1 329 . 2 2 31 31 LEU C C 13 178.631 0.400 . . . . . . B 128 LEU C . 30345 1 330 . 2 2 31 31 LEU CA C 13 58.430 0.400 . . . . . . B 128 LEU CA . 30345 1 331 . 2 2 31 31 LEU CB C 13 41.035 0.400 . . . . . . B 128 LEU CB . 30345 1 332 . 2 2 31 31 LEU CG C 13 26.739 0.400 . . . . . . B 128 LEU CG . 30345 1 333 . 2 2 31 31 LEU CD1 C 13 26.132 0.400 . . . . . . B 128 LEU CD1 . 30345 1 334 . 2 2 31 31 LEU CD2 C 13 21.707 0.400 . . . . . . B 128 LEU CD2 . 30345 1 335 . 2 2 31 31 LEU N N 15 125.525 0.400 . . . . . . B 128 LEU N . 30345 1 336 . 2 2 32 32 SER H H 1 8.722 0.020 . . . . . . B 129 SER H . 30345 1 337 . 2 2 32 32 SER HA H 1 4.455 0.020 . . . . . . B 129 SER HA . 30345 1 338 . 2 2 32 32 SER HB2 H 1 3.788 0.020 . . . . . . B 129 SER HB2 . 30345 1 339 . 2 2 32 32 SER HB3 H 1 3.929 0.020 . . . . . . B 129 SER HB3 . 30345 1 340 . 2 2 32 32 SER C C 13 176.776 0.400 . . . . . . B 129 SER C . 30345 1 341 . 2 2 32 32 SER CA C 13 60.322 0.400 . . . . . . B 129 SER CA . 30345 1 342 . 2 2 32 32 SER CB C 13 61.924 0.400 . . . . . . B 129 SER CB . 30345 1 343 . 2 2 32 32 SER N N 15 112.498 0.400 . . . . . . B 129 SER N . 30345 1 344 . 2 2 33 33 THR H H 1 7.513 0.020 . . . . . . B 130 THR H . 30345 1 345 . 2 2 33 33 THR HA H 1 4.015 0.020 . . . . . . B 130 THR HA . 30345 1 346 . 2 2 33 33 THR HB H 1 4.419 0.020 . . . . . . B 130 THR HB . 30345 1 347 . 2 2 33 33 THR HG21 H 1 1.308 0.020 . . . . . . B 130 THR HG21 . 30345 1 348 . 2 2 33 33 THR HG22 H 1 1.308 0.020 . . . . . . B 130 THR HG22 . 30345 1 349 . 2 2 33 33 THR HG23 H 1 1.308 0.020 . . . . . . B 130 THR HG23 . 30345 1 350 . 2 2 33 33 THR C C 13 176.307 0.400 . . . . . . B 130 THR C . 30345 1 351 . 2 2 33 33 THR CA C 13 65.437 0.400 . . . . . . B 130 THR CA . 30345 1 352 . 2 2 33 33 THR CB C 13 67.722 0.400 . . . . . . B 130 THR CB . 30345 1 353 . 2 2 33 33 THR CG2 C 13 23.519 0.400 . . . . . . B 130 THR CG2 . 30345 1 354 . 2 2 33 33 THR N N 15 121.762 0.400 . . . . . . B 130 THR N . 30345 1 355 . 2 2 34 34 VAL H H 1 7.300 0.020 . . . . . . B 131 VAL H . 30345 1 356 . 2 2 34 34 VAL HA H 1 3.599 0.020 . . . . . . B 131 VAL HA . 30345 1 357 . 2 2 34 34 VAL HB H 1 2.492 0.020 . . . . . . B 131 VAL HB . 30345 1 358 . 2 2 34 34 VAL HG11 H 1 0.808 0.020 . . . . . . B 131 VAL HG11 . 30345 1 359 . 2 2 34 34 VAL HG12 H 1 0.808 0.020 . . . . . . B 131 VAL HG12 . 30345 1 360 . 2 2 34 34 VAL HG13 H 1 0.808 0.020 . . . . . . B 131 VAL HG13 . 30345 1 361 . 2 2 34 34 VAL HG21 H 1 0.808 0.020 . . . . . . B 131 VAL HG21 . 30345 1 362 . 2 2 34 34 VAL HG22 H 1 0.808 0.020 . . . . . . B 131 VAL HG22 . 30345 1 363 . 2 2 34 34 VAL HG23 H 1 0.808 0.020 . . . . . . B 131 VAL HG23 . 30345 1 364 . 2 2 34 34 VAL C C 13 178.940 0.400 . . . . . . B 131 VAL C . 30345 1 365 . 2 2 34 34 VAL CA C 13 66.813 0.400 . . . . . . B 131 VAL CA . 30345 1 366 . 2 2 34 34 VAL CB C 13 31.792 0.400 . . . . . . B 131 VAL CB . 30345 1 367 . 2 2 34 34 VAL CG1 C 13 21.966 0.400 . . . . . . B 131 VAL CG1 . 30345 1 368 . 2 2 34 34 VAL N N 15 121.346 0.400 . . . . . . B 131 VAL N . 30345 1 369 . 2 2 35 35 THR H H 1 9.199 0.020 . . . . . . B 132 THR H . 30345 1 370 . 2 2 35 35 THR HA H 1 4.281 0.020 . . . . . . B 132 THR HA . 30345 1 371 . 2 2 35 35 THR HB H 1 4.467 0.020 . . . . . . B 132 THR HB . 30345 1 372 . 2 2 35 35 THR HG21 H 1 1.393 0.020 . . . . . . B 132 THR HG21 . 30345 1 373 . 2 2 35 35 THR HG22 H 1 1.393 0.020 . . . . . . B 132 THR HG22 . 30345 1 374 . 2 2 35 35 THR HG23 H 1 1.393 0.020 . . . . . . B 132 THR HG23 . 30345 1 375 . 2 2 35 35 THR C C 13 176.404 0.400 . . . . . . B 132 THR C . 30345 1 376 . 2 2 35 35 THR CA C 13 64.335 0.400 . . . . . . B 132 THR CA . 30345 1 377 . 2 2 35 35 THR CB C 13 68.917 0.400 . . . . . . B 132 THR CB . 30345 1 378 . 2 2 35 35 THR CG2 C 13 23.174 0.400 . . . . . . B 132 THR CG2 . 30345 1 379 . 2 2 35 35 THR N N 15 112.599 0.400 . . . . . . B 132 THR N . 30345 1 380 . 2 2 36 36 ALA H H 1 7.312 0.020 . . . . . . B 133 ALA H . 30345 1 381 . 2 2 36 36 ALA HA H 1 4.093 0.020 . . . . . . B 133 ALA HA . 30345 1 382 . 2 2 36 36 ALA HB1 H 1 1.488 0.020 . . . . . . B 133 ALA HB1 . 30345 1 383 . 2 2 36 36 ALA HB2 H 1 1.488 0.020 . . . . . . B 133 ALA HB2 . 30345 1 384 . 2 2 36 36 ALA HB3 H 1 1.488 0.020 . . . . . . B 133 ALA HB3 . 30345 1 385 . 2 2 36 36 ALA C C 13 178.821 0.400 . . . . . . B 133 ALA C . 30345 1 386 . 2 2 36 36 ALA CA C 13 54.577 0.400 . . . . . . B 133 ALA CA . 30345 1 387 . 2 2 36 36 ALA CB C 13 18.152 0.400 . . . . . . B 133 ALA CB . 30345 1 388 . 2 2 36 36 ALA N N 15 122.218 0.400 . . . . . . B 133 ALA N . 30345 1 389 . 2 2 37 37 GLN H H 1 6.909 0.020 . . . . . . B 134 GLN H . 30345 1 390 . 2 2 37 37 GLN HA H 1 4.128 0.020 . . . . . . B 134 GLN HA . 30345 1 391 . 2 2 37 37 GLN HB2 H 1 1.701 0.020 . . . . . . B 134 GLN HB2 . 30345 1 392 . 2 2 37 37 GLN HB3 H 1 1.701 0.020 . . . . . . B 134 GLN HB3 . 30345 1 393 . 2 2 37 37 GLN HG2 H 1 1.938 0.020 . . . . . . B 134 GLN HG2 . 30345 1 394 . 2 2 37 37 GLN HG3 H 1 1.938 0.020 . . . . . . B 134 GLN HG3 . 30345 1 395 . 2 2 37 37 GLN HE21 H 1 7.414 0.020 . . . . . . B 134 GLN HE21 . 30345 1 396 . 2 2 37 37 GLN HE22 H 1 6.775 0.020 . . . . . . B 134 GLN HE22 . 30345 1 397 . 2 2 37 37 GLN C C 13 174.869 0.400 . . . . . . B 134 GLN C . 30345 1 398 . 2 2 37 37 GLN CA C 13 55.348 0.400 . . . . . . B 134 GLN CA . 30345 1 399 . 2 2 37 37 GLN CB C 13 29.430 0.400 . . . . . . B 134 GLN CB . 30345 1 400 . 2 2 37 37 GLN CG C 13 32.897 0.400 . . . . . . B 134 GLN CG . 30345 1 401 . 2 2 37 37 GLN N N 15 113.170 0.400 . . . . . . B 134 GLN N . 30345 1 402 . 2 2 37 37 GLN NE2 N 15 113.123 0.400 . . . . . . B 134 GLN NE2 . 30345 1 403 . 2 2 38 38 PHE H H 1 8.339 0.020 . . . . . . B 135 PHE H . 30345 1 404 . 2 2 38 38 PHE HA H 1 4.976 0.020 . . . . . . B 135 PHE HA . 30345 1 405 . 2 2 38 38 PHE HB2 H 1 3.304 0.020 . . . . . . B 135 PHE HB2 . 30345 1 406 . 2 2 38 38 PHE HB3 H 1 3.304 0.020 . . . . . . B 135 PHE HB3 . 30345 1 407 . 2 2 38 38 PHE HD1 H 1 6.974 0.020 . . . . . . B 135 PHE HD1 . 30345 1 408 . 2 2 38 38 PHE HD2 H 1 7.024 0.020 . . . . . . B 135 PHE HD2 . 30345 1 409 . 2 2 38 38 PHE HE1 H 1 7.247 0.020 . . . . . . B 135 PHE HE1 . 30345 1 410 . 2 2 38 38 PHE HE2 H 1 7.118 0.020 . . . . . . B 135 PHE HE2 . 30345 1 411 . 2 2 38 38 PHE HZ H 1 7.241 0.020 . . . . . . B 135 PHE HZ . 30345 1 412 . 2 2 38 38 PHE CA C 13 55.003 0.400 . . . . . . B 135 PHE CA . 30345 1 413 . 2 2 38 38 PHE CB C 13 38.936 0.400 . . . . . . B 135 PHE CB . 30345 1 414 . 2 2 38 38 PHE CD1 C 13 133.009 0.400 . . . . . . B 135 PHE CD1 . 30345 1 415 . 2 2 38 38 PHE CD2 C 13 132.976 0.400 . . . . . . B 135 PHE CD2 . 30345 1 416 . 2 2 38 38 PHE CE1 C 13 132.748 0.400 . . . . . . B 135 PHE CE1 . 30345 1 417 . 2 2 38 38 PHE CE2 C 13 130.774 0.400 . . . . . . B 135 PHE CE2 . 30345 1 418 . 2 2 38 38 PHE CZ C 13 128.990 0.400 . . . . . . B 135 PHE CZ . 30345 1 419 . 2 2 38 38 PHE N N 15 118.310 0.400 . . . . . . B 135 PHE N . 30345 1 420 . 2 2 39 39 PRO HA H 1 4.519 0.020 . . . . . . B 136 PRO HA . 30345 1 421 . 2 2 39 39 PRO HB2 H 1 1.937 0.020 . . . . . . B 136 PRO HB2 . 30345 1 422 . 2 2 39 39 PRO HB3 H 1 2.315 0.020 . . . . . . B 136 PRO HB3 . 30345 1 423 . 2 2 39 39 PRO HG2 H 1 2.009 0.020 . . . . . . B 136 PRO HG2 . 30345 1 424 . 2 2 39 39 PRO HG3 H 1 2.009 0.020 . . . . . . B 136 PRO HG3 . 30345 1 425 . 2 2 39 39 PRO HD2 H 1 3.273 0.020 . . . . . . B 136 PRO HD2 . 30345 1 426 . 2 2 39 39 PRO HD3 H 1 3.696 0.020 . . . . . . B 136 PRO HD3 . 30345 1 427 . 2 2 39 39 PRO C C 13 178.427 0.400 . . . . . . B 136 PRO C . 30345 1 428 . 2 2 39 39 PRO CA C 13 64.575 0.400 . . . . . . B 136 PRO CA . 30345 1 429 . 2 2 39 39 PRO CB C 13 31.321 0.400 . . . . . . B 136 PRO CB . 30345 1 430 . 2 2 39 39 PRO CG C 13 27.676 0.400 . . . . . . B 136 PRO CG . 30345 1 431 . 2 2 39 39 PRO CD C 13 49.991 0.400 . . . . . . B 136 PRO CD . 30345 1 432 . 2 2 40 40 GLY H H 1 8.681 0.020 . . . . . . B 137 GLY H . 30345 1 433 . 2 2 40 40 GLY HA2 H 1 3.679 0.020 . . . . . . B 137 GLY HA2 . 30345 1 434 . 2 2 40 40 GLY HA3 H 1 4.432 0.020 . . . . . . B 137 GLY HA3 . 30345 1 435 . 2 2 40 40 GLY C C 13 174.677 0.400 . . . . . . B 137 GLY C . 30345 1 436 . 2 2 40 40 GLY CA C 13 44.846 0.400 . . . . . . B 137 GLY CA . 30345 1 437 . 2 2 40 40 GLY N N 15 111.126 0.400 . . . . . . B 137 GLY N . 30345 1 438 . 2 2 41 41 ALA H H 1 8.095 0.020 . . . . . . B 138 ALA H . 30345 1 439 . 2 2 41 41 ALA HA H 1 4.247 0.020 . . . . . . B 138 ALA HA . 30345 1 440 . 2 2 41 41 ALA HB1 H 1 1.259 0.020 . . . . . . B 138 ALA HB1 . 30345 1 441 . 2 2 41 41 ALA HB2 H 1 1.259 0.020 . . . . . . B 138 ALA HB2 . 30345 1 442 . 2 2 41 41 ALA HB3 H 1 1.259 0.020 . . . . . . B 138 ALA HB3 . 30345 1 443 . 2 2 41 41 ALA C C 13 177.498 0.400 . . . . . . B 138 ALA C . 30345 1 444 . 2 2 41 41 ALA CA C 13 53.358 0.400 . . . . . . B 138 ALA CA . 30345 1 445 . 2 2 41 41 ALA CB C 13 20.135 0.400 . . . . . . B 138 ALA CB . 30345 1 446 . 2 2 41 41 ALA N N 15 122.782 0.400 . . . . . . B 138 ALA N . 30345 1 447 . 2 2 42 42 CYS H H 1 8.998 0.020 . . . . . . B 139 CYS H . 30345 1 448 . 2 2 42 42 CYS HA H 1 4.947 0.020 . . . . . . B 139 CYS HA . 30345 1 449 . 2 2 42 42 CYS HB2 H 1 3.384 0.020 . . . . . . B 139 CYS HB2 . 30345 1 450 . 2 2 42 42 CYS HB3 H 1 2.529 0.020 . . . . . . B 139 CYS HB3 . 30345 1 451 . 2 2 42 42 CYS C C 13 173.473 0.400 . . . . . . B 139 CYS C . 30345 1 452 . 2 2 42 42 CYS CA C 13 56.283 0.400 . . . . . . B 139 CYS CA . 30345 1 453 . 2 2 42 42 CYS CB C 13 30.763 0.400 . . . . . . B 139 CYS CB . 30345 1 454 . 2 2 42 42 CYS N N 15 113.183 0.400 . . . . . . B 139 CYS N . 30345 1 455 . 2 2 43 43 GLY H H 1 7.306 0.020 . . . . . . B 140 GLY H . 30345 1 456 . 2 2 43 43 GLY HA2 H 1 3.798 0.020 . . . . . . B 140 GLY HA2 . 30345 1 457 . 2 2 43 43 GLY HA3 H 1 4.209 0.020 . . . . . . B 140 GLY HA3 . 30345 1 458 . 2 2 43 43 GLY C C 13 170.318 0.400 . . . . . . B 140 GLY C . 30345 1 459 . 2 2 43 43 GLY CA C 13 45.154 0.400 . . . . . . B 140 GLY CA . 30345 1 460 . 2 2 43 43 GLY N N 15 105.002 0.400 . . . . . . B 140 GLY N . 30345 1 461 . 2 2 44 44 LEU H H 1 8.378 0.020 . . . . . . B 141 LEU H . 30345 1 462 . 2 2 44 44 LEU HA H 1 5.487 0.020 . . . . . . B 141 LEU HA . 30345 1 463 . 2 2 44 44 LEU HB2 H 1 1.570 0.020 . . . . . . B 141 LEU HB2 . 30345 1 464 . 2 2 44 44 LEU HB3 H 1 1.632 0.020 . . . . . . B 141 LEU HB3 . 30345 1 465 . 2 2 44 44 LEU HG H 1 1.451 0.020 . . . . . . B 141 LEU HG . 30345 1 466 . 2 2 44 44 LEU HD11 H 1 0.795 0.020 . . . . . . B 141 LEU HD11 . 30345 1 467 . 2 2 44 44 LEU HD12 H 1 0.795 0.020 . . . . . . B 141 LEU HD12 . 30345 1 468 . 2 2 44 44 LEU HD13 H 1 0.795 0.020 . . . . . . B 141 LEU HD13 . 30345 1 469 . 2 2 44 44 LEU HD21 H 1 0.595 0.020 . . . . . . B 141 LEU HD21 . 30345 1 470 . 2 2 44 44 LEU HD22 H 1 0.595 0.020 . . . . . . B 141 LEU HD22 . 30345 1 471 . 2 2 44 44 LEU HD23 H 1 0.595 0.020 . . . . . . B 141 LEU HD23 . 30345 1 472 . 2 2 44 44 LEU C C 13 176.052 0.400 . . . . . . B 141 LEU C . 30345 1 473 . 2 2 44 44 LEU CA C 13 53.417 0.400 . . . . . . B 141 LEU CA . 30345 1 474 . 2 2 44 44 LEU CB C 13 48.429 0.400 . . . . . . B 141 LEU CB . 30345 1 475 . 2 2 44 44 LEU CG C 13 27.278 0.400 . . . . . . B 141 LEU CG . 30345 1 476 . 2 2 44 44 LEU CD1 C 13 24.195 0.400 . . . . . . B 141 LEU CD1 . 30345 1 477 . 2 2 44 44 LEU CD2 C 13 26.100 0.400 . . . . . . B 141 LEU CD2 . 30345 1 478 . 2 2 44 44 LEU N N 15 116.135 0.400 . . . . . . B 141 LEU N . 30345 1 479 . 2 2 45 45 ARG H H 1 9.448 0.020 . . . . . . B 142 ARG H . 30345 1 480 . 2 2 45 45 ARG HA H 1 5.671 0.020 . . . . . . B 142 ARG HA . 30345 1 481 . 2 2 45 45 ARG HB2 H 1 1.497 0.020 . . . . . . B 142 ARG HB2 . 30345 1 482 . 2 2 45 45 ARG HB3 H 1 1.966 0.020 . . . . . . B 142 ARG HB3 . 30345 1 483 . 2 2 45 45 ARG HG2 H 1 1.363 0.020 . . . . . . B 142 ARG HG2 . 30345 1 484 . 2 2 45 45 ARG HG3 H 1 1.363 0.020 . . . . . . B 142 ARG HG3 . 30345 1 485 . 2 2 45 45 ARG HD2 H 1 2.909 0.020 . . . . . . B 142 ARG HD2 . 30345 1 486 . 2 2 45 45 ARG HD3 H 1 3.109 0.020 . . . . . . B 142 ARG HD3 . 30345 1 487 . 2 2 45 45 ARG C C 13 172.856 0.400 . . . . . . B 142 ARG C . 30345 1 488 . 2 2 45 45 ARG CA C 13 54.397 0.400 . . . . . . B 142 ARG CA . 30345 1 489 . 2 2 45 45 ARG CB C 13 33.825 0.400 . . . . . . B 142 ARG CB . 30345 1 490 . 2 2 45 45 ARG CG C 13 25.171 0.400 . . . . . . B 142 ARG CG . 30345 1 491 . 2 2 45 45 ARG CD C 13 43.486 0.400 . . . . . . B 142 ARG CD . 30345 1 492 . 2 2 45 45 ARG N N 15 120.334 0.400 . . . . . . B 142 ARG N . 30345 1 493 . 2 2 46 46 TYR H H 1 9.177 0.020 . . . . . . B 143 TYR H . 30345 1 494 . 2 2 46 46 TYR HA H 1 4.920 0.020 . . . . . . B 143 TYR HA . 30345 1 495 . 2 2 46 46 TYR HB2 H 1 2.462 0.020 . . . . . . B 143 TYR HB2 . 30345 1 496 . 2 2 46 46 TYR HB3 H 1 2.830 0.020 . . . . . . B 143 TYR HB3 . 30345 1 497 . 2 2 46 46 TYR HD1 H 1 6.804 0.020 . . . . . . B 143 TYR HD1 . 30345 1 498 . 2 2 46 46 TYR HD2 H 1 6.804 0.020 . . . . . . B 143 TYR HD2 . 30345 1 499 . 2 2 46 46 TYR HE1 H 1 6.601 0.020 . . . . . . B 143 TYR HE1 . 30345 1 500 . 2 2 46 46 TYR HE2 H 1 6.601 0.020 . . . . . . B 143 TYR HE2 . 30345 1 501 . 2 2 46 46 TYR C C 13 172.580 0.400 . . . . . . B 143 TYR C . 30345 1 502 . 2 2 46 46 TYR CA C 13 55.827 0.400 . . . . . . B 143 TYR CA . 30345 1 503 . 2 2 46 46 TYR CB C 13 40.891 0.400 . . . . . . B 143 TYR CB . 30345 1 504 . 2 2 46 46 TYR CD1 C 13 134.679 0.400 . . . . . . B 143 TYR CD1 . 30345 1 505 . 2 2 46 46 TYR CE1 C 13 116.685 0.400 . . . . . . B 143 TYR CE1 . 30345 1 506 . 2 2 46 46 TYR N N 15 116.926 0.400 . . . . . . B 143 TYR N . 30345 1 507 . 2 2 47 47 ARG H H 1 9.213 0.020 . . . . . . B 144 ARG H . 30345 1 508 . 2 2 47 47 ARG HA H 1 4.172 0.020 . . . . . . B 144 ARG HA . 30345 1 509 . 2 2 47 47 ARG HG2 H 1 1.708 0.020 . . . . . . B 144 ARG HG2 . 30345 1 510 . 2 2 47 47 ARG HG3 H 1 1.708 0.020 . . . . . . B 144 ARG HG3 . 30345 1 511 . 2 2 47 47 ARG C C 13 175.555 0.400 . . . . . . B 144 ARG C . 30345 1 512 . 2 2 47 47 ARG CA C 13 55.617 0.400 . . . . . . B 144 ARG CA . 30345 1 513 . 2 2 47 47 ARG CG C 13 25.089 0.400 . . . . . . B 144 ARG CG . 30345 1 514 . 2 2 47 47 ARG N N 15 122.286 0.400 . . . . . . B 144 ARG N . 30345 1 515 . 2 2 48 48 ASN H H 1 8.600 0.020 . . . . . . B 145 ASN H . 30345 1 516 . 2 2 48 48 ASN HA H 1 4.890 0.020 . . . . . . B 145 ASN HA . 30345 1 517 . 2 2 48 48 ASN HB2 H 1 2.233 0.020 . . . . . . B 145 ASN HB2 . 30345 1 518 . 2 2 48 48 ASN HB3 H 1 3.343 0.020 . . . . . . B 145 ASN HB3 . 30345 1 519 . 2 2 48 48 ASN CA C 13 50.811 0.400 . . . . . . B 145 ASN CA . 30345 1 520 . 2 2 48 48 ASN CB C 13 39.045 0.400 . . . . . . B 145 ASN CB . 30345 1 521 . 2 2 48 48 ASN N N 15 127.987 0.400 . . . . . . B 145 ASN N . 30345 1 522 . 2 2 49 49 PRO HA H 1 4.308 0.020 . . . . . . B 146 PRO HA . 30345 1 523 . 2 2 49 49 PRO HB2 H 1 2.031 0.020 . . . . . . B 146 PRO HB2 . 30345 1 524 . 2 2 49 49 PRO HB3 H 1 2.358 0.020 . . . . . . B 146 PRO HB3 . 30345 1 525 . 2 2 49 49 PRO HG2 H 1 2.147 0.020 . . . . . . B 146 PRO HG2 . 30345 1 526 . 2 2 49 49 PRO HG3 H 1 2.126 0.020 . . . . . . B 146 PRO HG3 . 30345 1 527 . 2 2 49 49 PRO HD2 H 1 3.974 0.020 . . . . . . B 146 PRO HD2 . 30345 1 528 . 2 2 49 49 PRO HD3 H 1 4.259 0.020 . . . . . . B 146 PRO HD3 . 30345 1 529 . 2 2 49 49 PRO C C 13 177.566 0.400 . . . . . . B 146 PRO C . 30345 1 530 . 2 2 49 49 PRO CA C 13 64.621 0.400 . . . . . . B 146 PRO CA . 30345 1 531 . 2 2 49 49 PRO CB C 13 32.287 0.400 . . . . . . B 146 PRO CB . 30345 1 532 . 2 2 49 49 PRO CG C 13 27.481 0.400 . . . . . . B 146 PRO CG . 30345 1 533 . 2 2 49 49 PRO CD C 13 50.889 0.400 . . . . . . B 146 PRO CD . 30345 1 534 . 2 2 50 50 VAL H H 1 7.913 0.020 . . . . . . B 147 VAL H . 30345 1 535 . 2 2 50 50 VAL HA H 1 3.880 0.020 . . . . . . B 147 VAL HA . 30345 1 536 . 2 2 50 50 VAL HB H 1 2.055 0.020 . . . . . . B 147 VAL HB . 30345 1 537 . 2 2 50 50 VAL HG11 H 1 0.997 0.020 . . . . . . B 147 VAL HG11 . 30345 1 538 . 2 2 50 50 VAL HG12 H 1 0.997 0.020 . . . . . . B 147 VAL HG12 . 30345 1 539 . 2 2 50 50 VAL HG13 H 1 0.997 0.020 . . . . . . B 147 VAL HG13 . 30345 1 540 . 2 2 50 50 VAL HG21 H 1 0.904 0.020 . . . . . . B 147 VAL HG21 . 30345 1 541 . 2 2 50 50 VAL HG22 H 1 0.904 0.020 . . . . . . B 147 VAL HG22 . 30345 1 542 . 2 2 50 50 VAL HG23 H 1 0.904 0.020 . . . . . . B 147 VAL HG23 . 30345 1 543 . 2 2 50 50 VAL C C 13 176.893 0.400 . . . . . . B 147 VAL C . 30345 1 544 . 2 2 50 50 VAL CA C 13 64.786 0.400 . . . . . . B 147 VAL CA . 30345 1 545 . 2 2 50 50 VAL CB C 13 32.002 0.400 . . . . . . B 147 VAL CB . 30345 1 546 . 2 2 50 50 VAL CG1 C 13 21.739 0.400 . . . . . . B 147 VAL CG1 . 30345 1 547 . 2 2 50 50 VAL CG2 C 13 21.067 0.400 . . . . . . B 147 VAL CG2 . 30345 1 548 . 2 2 50 50 VAL N N 15 116.666 0.400 . . . . . . B 147 VAL N . 30345 1 549 . 2 2 51 51 SER H H 1 6.898 0.020 . . . . . . B 148 SER H . 30345 1 550 . 2 2 51 51 SER HA H 1 4.421 0.020 . . . . . . B 148 SER HA . 30345 1 551 . 2 2 51 51 SER HB2 H 1 3.713 0.020 . . . . . . B 148 SER HB2 . 30345 1 552 . 2 2 51 51 SER HB3 H 1 4.058 0.020 . . . . . . B 148 SER HB3 . 30345 1 553 . 2 2 51 51 SER C C 13 175.335 0.400 . . . . . . B 148 SER C . 30345 1 554 . 2 2 51 51 SER CA C 13 58.069 0.400 . . . . . . B 148 SER CA . 30345 1 555 . 2 2 51 51 SER CB C 13 65.221 0.400 . . . . . . B 148 SER CB . 30345 1 556 . 2 2 51 51 SER N N 15 112.017 0.400 . . . . . . B 148 SER N . 30345 1 557 . 2 2 52 52 GLN H H 1 8.381 0.020 . . . . . . B 149 GLN H . 30345 1 558 . 2 2 52 52 GLN HA H 1 3.785 0.020 . . . . . . B 149 GLN HA . 30345 1 559 . 2 2 52 52 GLN HB2 H 1 2.392 0.020 . . . . . . B 149 GLN HB2 . 30345 1 560 . 2 2 52 52 GLN HB3 H 1 2.392 0.020 . . . . . . B 149 GLN HB3 . 30345 1 561 . 2 2 52 52 GLN HG2 H 1 2.151 0.020 . . . . . . B 149 GLN HG2 . 30345 1 562 . 2 2 52 52 GLN HG3 H 1 2.303 0.020 . . . . . . B 149 GLN HG3 . 30345 1 563 . 2 2 52 52 GLN HE21 H 1 7.301 0.020 . . . . . . B 149 GLN HE21 . 30345 1 564 . 2 2 52 52 GLN HE22 H 1 6.738 0.020 . . . . . . B 149 GLN HE22 . 30345 1 565 . 2 2 52 52 GLN C C 13 174.941 0.400 . . . . . . B 149 GLN C . 30345 1 566 . 2 2 52 52 GLN CA C 13 57.799 0.400 . . . . . . B 149 GLN CA . 30345 1 567 . 2 2 52 52 GLN CB C 13 26.031 0.400 . . . . . . B 149 GLN CB . 30345 1 568 . 2 2 52 52 GLN CG C 13 33.812 0.400 . . . . . . B 149 GLN CG . 30345 1 569 . 2 2 52 52 GLN N N 15 114.556 0.400 . . . . . . B 149 GLN N . 30345 1 570 . 2 2 52 52 GLN NE2 N 15 112.847 0.400 . . . . . . B 149 GLN NE2 . 30345 1 571 . 2 2 53 53 CYS H H 1 7.845 0.020 . . . . . . B 150 CYS H . 30345 1 572 . 2 2 53 53 CYS HA H 1 4.598 0.020 . . . . . . B 150 CYS HA . 30345 1 573 . 2 2 53 53 CYS HB2 H 1 2.936 0.020 . . . . . . B 150 CYS HB2 . 30345 1 574 . 2 2 53 53 CYS HB3 H 1 2.679 0.020 . . . . . . B 150 CYS HB3 . 30345 1 575 . 2 2 53 53 CYS C C 13 174.234 0.400 . . . . . . B 150 CYS C . 30345 1 576 . 2 2 53 53 CYS CA C 13 58.363 0.400 . . . . . . B 150 CYS CA . 30345 1 577 . 2 2 53 53 CYS CB C 13 28.809 0.400 . . . . . . B 150 CYS CB . 30345 1 578 . 2 2 53 53 CYS N N 15 118.650 0.400 . . . . . . B 150 CYS N . 30345 1 579 . 2 2 54 54 MET H H 1 9.027 0.020 . . . . . . B 151 MET H . 30345 1 580 . 2 2 54 54 MET HA H 1 4.959 0.020 . . . . . . B 151 MET HA . 30345 1 581 . 2 2 54 54 MET HB2 H 1 2.508 0.020 . . . . . . B 151 MET HB2 . 30345 1 582 . 2 2 54 54 MET HB3 H 1 2.508 0.020 . . . . . . B 151 MET HB3 . 30345 1 583 . 2 2 54 54 MET HE1 H 1 1.809 0.020 . . . . . . B 151 MET HE1 . 30345 1 584 . 2 2 54 54 MET HE2 H 1 1.809 0.020 . . . . . . B 151 MET HE2 . 30345 1 585 . 2 2 54 54 MET HE3 H 1 1.809 0.020 . . . . . . B 151 MET HE3 . 30345 1 586 . 2 2 54 54 MET C C 13 175.199 0.400 . . . . . . B 151 MET C . 30345 1 587 . 2 2 54 54 MET CA C 13 54.743 0.400 . . . . . . B 151 MET CA . 30345 1 588 . 2 2 54 54 MET CB C 13 32.299 0.400 . . . . . . B 151 MET CB . 30345 1 589 . 2 2 54 54 MET CE C 13 16.222 0.400 . . . . . . B 151 MET CE . 30345 1 590 . 2 2 54 54 MET N N 15 121.450 0.400 . . . . . . B 151 MET N . 30345 1 591 . 2 2 55 55 ARG H H 1 9.225 0.020 . . . . . . B 152 ARG H . 30345 1 592 . 2 2 55 55 ARG HA H 1 5.104 0.020 . . . . . . B 152 ARG HA . 30345 1 593 . 2 2 55 55 ARG HB2 H 1 0.979 0.020 . . . . . . B 152 ARG HB2 . 30345 1 594 . 2 2 55 55 ARG HB3 H 1 1.040 0.020 . . . . . . B 152 ARG HB3 . 30345 1 595 . 2 2 55 55 ARG HD2 H 1 2.805 0.020 . . . . . . B 152 ARG HD2 . 30345 1 596 . 2 2 55 55 ARG HD3 H 1 2.805 0.020 . . . . . . B 152 ARG HD3 . 30345 1 597 . 2 2 55 55 ARG C C 13 175.422 0.400 . . . . . . B 152 ARG C . 30345 1 598 . 2 2 55 55 ARG CA C 13 53.651 0.400 . . . . . . B 152 ARG CA . 30345 1 599 . 2 2 55 55 ARG CB C 13 33.525 0.400 . . . . . . B 152 ARG CB . 30345 1 600 . 2 2 55 55 ARG CD C 13 43.497 0.400 . . . . . . B 152 ARG CD . 30345 1 601 . 2 2 55 55 ARG N N 15 122.465 0.400 . . . . . . B 152 ARG N . 30345 1 602 . 2 2 56 56 GLY H H 1 8.930 0.020 . . . . . . B 153 GLY H . 30345 1 603 . 2 2 56 56 GLY HA2 H 1 3.755 0.020 . . . . . . B 153 GLY HA2 . 30345 1 604 . 2 2 56 56 GLY HA3 H 1 3.576 0.020 . . . . . . B 153 GLY HA3 . 30345 1 605 . 2 2 56 56 GLY C C 13 172.914 0.400 . . . . . . B 153 GLY C . 30345 1 606 . 2 2 56 56 GLY CA C 13 45.119 0.400 . . . . . . B 153 GLY CA . 30345 1 607 . 2 2 56 56 GLY N N 15 107.394 0.400 . . . . . . B 153 GLY N . 30345 1 608 . 2 2 57 57 VAL H H 1 7.287 0.020 . . . . . . B 154 VAL H . 30345 1 609 . 2 2 57 57 VAL HA H 1 4.376 0.020 . . . . . . B 154 VAL HA . 30345 1 610 . 2 2 57 57 VAL HB H 1 2.109 0.020 . . . . . . B 154 VAL HB . 30345 1 611 . 2 2 57 57 VAL HG11 H 1 1.330 0.020 . . . . . . B 154 VAL HG11 . 30345 1 612 . 2 2 57 57 VAL HG12 H 1 1.330 0.020 . . . . . . B 154 VAL HG12 . 30345 1 613 . 2 2 57 57 VAL HG13 H 1 1.330 0.020 . . . . . . B 154 VAL HG13 . 30345 1 614 . 2 2 57 57 VAL HG21 H 1 1.258 0.020 . . . . . . B 154 VAL HG21 . 30345 1 615 . 2 2 57 57 VAL HG22 H 1 1.258 0.020 . . . . . . B 154 VAL HG22 . 30345 1 616 . 2 2 57 57 VAL HG23 H 1 1.258 0.020 . . . . . . B 154 VAL HG23 . 30345 1 617 . 2 2 57 57 VAL C C 13 177.423 0.400 . . . . . . B 154 VAL C . 30345 1 618 . 2 2 57 57 VAL CA C 13 61.910 0.400 . . . . . . B 154 VAL CA . 30345 1 619 . 2 2 57 57 VAL CB C 13 33.212 0.400 . . . . . . B 154 VAL CB . 30345 1 620 . 2 2 57 57 VAL CG1 C 13 22.796 0.400 . . . . . . B 154 VAL CG1 . 30345 1 621 . 2 2 57 57 VAL CG2 C 13 23.943 0.400 . . . . . . B 154 VAL CG2 . 30345 1 622 . 2 2 57 57 VAL N N 15 120.025 0.400 . . . . . . B 154 VAL N . 30345 1 623 . 2 2 58 58 ARG H H 1 9.459 0.020 . . . . . . B 155 ARG H . 30345 1 624 . 2 2 58 58 ARG HA H 1 3.959 0.020 . . . . . . B 155 ARG HA . 30345 1 625 . 2 2 58 58 ARG HB2 H 1 1.738 0.020 . . . . . . B 155 ARG HB2 . 30345 1 626 . 2 2 58 58 ARG HB3 H 1 1.738 0.020 . . . . . . B 155 ARG HB3 . 30345 1 627 . 2 2 58 58 ARG HG2 H 1 1.374 0.020 . . . . . . B 155 ARG HG2 . 30345 1 628 . 2 2 58 58 ARG HG3 H 1 1.374 0.020 . . . . . . B 155 ARG HG3 . 30345 1 629 . 2 2 58 58 ARG HD2 H 1 3.007 0.020 . . . . . . B 155 ARG HD2 . 30345 1 630 . 2 2 58 58 ARG HD3 H 1 3.179 0.020 . . . . . . B 155 ARG HD3 . 30345 1 631 . 2 2 58 58 ARG C C 13 173.360 0.400 . . . . . . B 155 ARG C . 30345 1 632 . 2 2 58 58 ARG CA C 13 59.244 0.400 . . . . . . B 155 ARG CA . 30345 1 633 . 2 2 58 58 ARG CB C 13 31.514 0.400 . . . . . . B 155 ARG CB . 30345 1 634 . 2 2 58 58 ARG CG C 13 27.582 0.400 . . . . . . B 155 ARG CG . 30345 1 635 . 2 2 58 58 ARG CD C 13 43.329 0.400 . . . . . . B 155 ARG CD . 30345 1 636 . 2 2 58 58 ARG N N 15 131.897 0.400 . . . . . . B 155 ARG N . 30345 1 637 . 2 2 59 59 LEU H H 1 7.455 0.020 . . . . . . B 156 LEU H . 30345 1 638 . 2 2 59 59 LEU HA H 1 5.188 0.020 . . . . . . B 156 LEU HA . 30345 1 639 . 2 2 59 59 LEU HB2 H 1 1.249 0.020 . . . . . . B 156 LEU HB2 . 30345 1 640 . 2 2 59 59 LEU HB3 H 1 1.800 0.020 . . . . . . B 156 LEU HB3 . 30345 1 641 . 2 2 59 59 LEU HG H 1 1.487 0.020 . . . . . . B 156 LEU HG . 30345 1 642 . 2 2 59 59 LEU HD11 H 1 0.749 0.020 . . . . . . B 156 LEU HD11 . 30345 1 643 . 2 2 59 59 LEU HD12 H 1 0.749 0.020 . . . . . . B 156 LEU HD12 . 30345 1 644 . 2 2 59 59 LEU HD13 H 1 0.749 0.020 . . . . . . B 156 LEU HD13 . 30345 1 645 . 2 2 59 59 LEU HD21 H 1 1.010 0.020 . . . . . . B 156 LEU HD21 . 30345 1 646 . 2 2 59 59 LEU HD22 H 1 1.010 0.020 . . . . . . B 156 LEU HD22 . 30345 1 647 . 2 2 59 59 LEU HD23 H 1 1.010 0.020 . . . . . . B 156 LEU HD23 . 30345 1 648 . 2 2 59 59 LEU C C 13 174.453 0.400 . . . . . . B 156 LEU C . 30345 1 649 . 2 2 59 59 LEU CA C 13 54.012 0.400 . . . . . . B 156 LEU CA . 30345 1 650 . 2 2 59 59 LEU CB C 13 45.117 0.400 . . . . . . B 156 LEU CB . 30345 1 651 . 2 2 59 59 LEU CG C 13 27.911 0.400 . . . . . . B 156 LEU CG . 30345 1 652 . 2 2 59 59 LEU CD1 C 13 24.144 0.400 . . . . . . B 156 LEU CD1 . 30345 1 653 . 2 2 59 59 LEU CD2 C 13 27.450 0.400 . . . . . . B 156 LEU CD2 . 30345 1 654 . 2 2 59 59 LEU N N 15 126.127 0.400 . . . . . . B 156 LEU N . 30345 1 655 . 2 2 60 60 VAL H H 1 9.141 0.020 . . . . . . B 157 VAL H . 30345 1 656 . 2 2 60 60 VAL HA H 1 4.225 0.020 . . . . . . B 157 VAL HA . 30345 1 657 . 2 2 60 60 VAL HB H 1 2.058 0.020 . . . . . . B 157 VAL HB . 30345 1 658 . 2 2 60 60 VAL HG11 H 1 0.916 0.020 . . . . . . B 157 VAL HG11 . 30345 1 659 . 2 2 60 60 VAL HG12 H 1 0.916 0.020 . . . . . . B 157 VAL HG12 . 30345 1 660 . 2 2 60 60 VAL HG13 H 1 0.916 0.020 . . . . . . B 157 VAL HG13 . 30345 1 661 . 2 2 60 60 VAL HG21 H 1 0.761 0.020 . . . . . . B 157 VAL HG21 . 30345 1 662 . 2 2 60 60 VAL HG22 H 1 0.761 0.020 . . . . . . B 157 VAL HG22 . 30345 1 663 . 2 2 60 60 VAL HG23 H 1 0.761 0.020 . . . . . . B 157 VAL HG23 . 30345 1 664 . 2 2 60 60 VAL C C 13 175.856 0.400 . . . . . . B 157 VAL C . 30345 1 665 . 2 2 60 60 VAL CA C 13 60.993 0.400 . . . . . . B 157 VAL CA . 30345 1 666 . 2 2 60 60 VAL CB C 13 34.036 0.400 . . . . . . B 157 VAL CB . 30345 1 667 . 2 2 60 60 VAL CG1 C 13 20.572 0.400 . . . . . . B 157 VAL CG1 . 30345 1 668 . 2 2 60 60 VAL CG2 C 13 20.091 0.400 . . . . . . B 157 VAL CG2 . 30345 1 669 . 2 2 60 60 VAL N N 15 127.208 0.400 . . . . . . B 157 VAL N . 30345 1 670 . 2 2 61 61 GLU H H 1 9.597 0.020 . . . . . . B 158 GLU H . 30345 1 671 . 2 2 61 61 GLU HA H 1 3.885 0.020 . . . . . . B 158 GLU HA . 30345 1 672 . 2 2 61 61 GLU HB2 H 1 2.261 0.020 . . . . . . B 158 GLU HB2 . 30345 1 673 . 2 2 61 61 GLU HB3 H 1 2.049 0.020 . . . . . . B 158 GLU HB3 . 30345 1 674 . 2 2 61 61 GLU HG2 H 1 2.348 0.020 . . . . . . B 158 GLU HG2 . 30345 1 675 . 2 2 61 61 GLU HG3 H 1 2.348 0.020 . . . . . . B 158 GLU HG3 . 30345 1 676 . 2 2 61 61 GLU C C 13 176.077 0.400 . . . . . . B 158 GLU C . 30345 1 677 . 2 2 61 61 GLU CA C 13 57.205 0.400 . . . . . . B 158 GLU CA . 30345 1 678 . 2 2 61 61 GLU CB C 13 27.832 0.400 . . . . . . B 158 GLU CB . 30345 1 679 . 2 2 61 61 GLU CG C 13 36.443 0.400 . . . . . . B 158 GLU CG . 30345 1 680 . 2 2 61 61 GLU N N 15 128.388 0.400 . . . . . . B 158 GLU N . 30345 1 681 . 2 2 62 62 GLY H H 1 8.268 0.020 . . . . . . B 159 GLY H . 30345 1 682 . 2 2 62 62 GLY HA2 H 1 3.599 0.020 . . . . . . B 159 GLY HA2 . 30345 1 683 . 2 2 62 62 GLY HA3 H 1 4.215 0.020 . . . . . . B 159 GLY HA3 . 30345 1 684 . 2 2 62 62 GLY C C 13 173.370 0.400 . . . . . . B 159 GLY C . 30345 1 685 . 2 2 62 62 GLY CA C 13 45.960 0.400 . . . . . . B 159 GLY CA . 30345 1 686 . 2 2 62 62 GLY N N 15 102.421 0.400 . . . . . . B 159 GLY N . 30345 1 687 . 2 2 63 63 ILE H H 1 8.253 0.020 . . . . . . B 160 ILE H . 30345 1 688 . 2 2 63 63 ILE HA H 1 4.237 0.020 . . . . . . B 160 ILE HA . 30345 1 689 . 2 2 63 63 ILE HB H 1 2.230 0.020 . . . . . . B 160 ILE HB . 30345 1 690 . 2 2 63 63 ILE HG12 H 1 1.062 0.020 . . . . . . B 160 ILE HG12 . 30345 1 691 . 2 2 63 63 ILE HG13 H 1 1.585 0.020 . . . . . . B 160 ILE HG13 . 30345 1 692 . 2 2 63 63 ILE HG21 H 1 0.595 0.020 . . . . . . B 160 ILE HG21 . 30345 1 693 . 2 2 63 63 ILE HG22 H 1 0.595 0.020 . . . . . . B 160 ILE HG22 . 30345 1 694 . 2 2 63 63 ILE HG23 H 1 0.595 0.020 . . . . . . B 160 ILE HG23 . 30345 1 695 . 2 2 63 63 ILE HD11 H 1 0.863 0.020 . . . . . . B 160 ILE HD11 . 30345 1 696 . 2 2 63 63 ILE HD12 H 1 0.863 0.020 . . . . . . B 160 ILE HD12 . 30345 1 697 . 2 2 63 63 ILE HD13 H 1 0.863 0.020 . . . . . . B 160 ILE HD13 . 30345 1 698 . 2 2 63 63 ILE C C 13 175.015 0.400 . . . . . . B 160 ILE C . 30345 1 699 . 2 2 63 63 ILE CA C 13 61.595 0.400 . . . . . . B 160 ILE CA . 30345 1 700 . 2 2 63 63 ILE CB C 13 38.781 0.400 . . . . . . B 160 ILE CB . 30345 1 701 . 2 2 63 63 ILE CG1 C 13 27.151 0.400 . . . . . . B 160 ILE CG1 . 30345 1 702 . 2 2 63 63 ILE CG2 C 13 18.101 0.400 . . . . . . B 160 ILE CG2 . 30345 1 703 . 2 2 63 63 ILE CD1 C 13 12.550 0.400 . . . . . . B 160 ILE CD1 . 30345 1 704 . 2 2 63 63 ILE N N 15 123.514 0.400 . . . . . . B 160 ILE N . 30345 1 705 . 2 2 64 64 LEU H H 1 9.323 0.020 . . . . . . B 161 LEU H . 30345 1 706 . 2 2 64 64 LEU HA H 1 5.302 0.020 . . . . . . B 161 LEU HA . 30345 1 707 . 2 2 64 64 LEU HB2 H 1 1.349 0.020 . . . . . . B 161 LEU HB2 . 30345 1 708 . 2 2 64 64 LEU HB3 H 1 2.314 0.020 . . . . . . B 161 LEU HB3 . 30345 1 709 . 2 2 64 64 LEU HD11 H 1 0.910 0.020 . . . . . . B 161 LEU HD11 . 30345 1 710 . 2 2 64 64 LEU HD12 H 1 0.910 0.020 . . . . . . B 161 LEU HD12 . 30345 1 711 . 2 2 64 64 LEU HD13 H 1 0.910 0.020 . . . . . . B 161 LEU HD13 . 30345 1 712 . 2 2 64 64 LEU HD21 H 1 0.660 0.020 . . . . . . B 161 LEU HD21 . 30345 1 713 . 2 2 64 64 LEU HD22 H 1 0.660 0.020 . . . . . . B 161 LEU HD22 . 30345 1 714 . 2 2 64 64 LEU HD23 H 1 0.660 0.020 . . . . . . B 161 LEU HD23 . 30345 1 715 . 2 2 64 64 LEU C C 13 175.995 0.400 . . . . . . B 161 LEU C . 30345 1 716 . 2 2 64 64 LEU CA C 13 54.249 0.400 . . . . . . B 161 LEU CA . 30345 1 717 . 2 2 64 64 LEU CB C 13 42.039 0.400 . . . . . . B 161 LEU CB . 30345 1 718 . 2 2 64 64 LEU CD1 C 13 26.520 0.400 . . . . . . B 161 LEU CD1 . 30345 1 719 . 2 2 64 64 LEU CD2 C 13 26.095 0.400 . . . . . . B 161 LEU CD2 . 30345 1 720 . 2 2 64 64 LEU N N 15 129.228 0.400 . . . . . . B 161 LEU N . 30345 1 721 . 2 2 65 65 HIS H H 1 8.006 0.020 . . . . . . B 162 HIS H . 30345 1 722 . 2 2 65 65 HIS HA H 1 4.678 0.020 . . . . . . B 162 HIS HA . 30345 1 723 . 2 2 65 65 HIS HB2 H 1 2.669 0.020 . . . . . . B 162 HIS HB2 . 30345 1 724 . 2 2 65 65 HIS HB3 H 1 2.953 0.020 . . . . . . B 162 HIS HB3 . 30345 1 725 . 2 2 65 65 HIS HD2 H 1 6.989 0.020 . . . . . . B 162 HIS HD2 . 30345 1 726 . 2 2 65 65 HIS HE1 H 1 8.271 0.020 . . . . . . B 162 HIS HE1 . 30345 1 727 . 2 2 65 65 HIS C C 13 172.947 0.400 . . . . . . B 162 HIS C . 30345 1 728 . 2 2 65 65 HIS CA C 13 54.328 0.400 . . . . . . B 162 HIS CA . 30345 1 729 . 2 2 65 65 HIS CB C 13 32.969 0.400 . . . . . . B 162 HIS CB . 30345 1 730 . 2 2 65 65 HIS CD2 C 13 118.120 0.400 . . . . . . B 162 HIS CD2 . 30345 1 731 . 2 2 65 65 HIS CE1 C 13 137.627 0.400 . . . . . . B 162 HIS CE1 . 30345 1 732 . 2 2 65 65 HIS N N 15 119.907 0.400 . . . . . . B 162 HIS N . 30345 1 733 . 2 2 66 66 ALA H H 1 8.395 0.020 . . . . . . B 163 ALA H . 30345 1 734 . 2 2 66 66 ALA HA H 1 1.922 0.020 . . . . . . B 163 ALA HA . 30345 1 735 . 2 2 66 66 ALA HB1 H 1 -0.026 0.020 . . . . . . B 163 ALA HB1 . 30345 1 736 . 2 2 66 66 ALA HB2 H 1 -0.026 0.020 . . . . . . B 163 ALA HB2 . 30345 1 737 . 2 2 66 66 ALA HB3 H 1 -0.026 0.020 . . . . . . B 163 ALA HB3 . 30345 1 738 . 2 2 66 66 ALA CA C 13 49.944 0.400 . . . . . . B 163 ALA CA . 30345 1 739 . 2 2 66 66 ALA CB C 13 16.102 0.400 . . . . . . B 163 ALA CB . 30345 1 740 . 2 2 66 66 ALA N N 15 125.987 0.400 . . . . . . B 163 ALA N . 30345 1 741 . 2 2 67 67 PRO HA H 1 4.375 0.020 . . . . . . B 164 PRO HA . 30345 1 742 . 2 2 67 67 PRO HB2 H 1 2.430 0.020 . . . . . . B 164 PRO HB2 . 30345 1 743 . 2 2 67 67 PRO HB3 H 1 1.749 0.020 . . . . . . B 164 PRO HB3 . 30345 1 744 . 2 2 67 67 PRO HG2 H 1 1.820 0.020 . . . . . . B 164 PRO HG2 . 30345 1 745 . 2 2 67 67 PRO HG3 H 1 2.010 0.020 . . . . . . B 164 PRO HG3 . 30345 1 746 . 2 2 67 67 PRO HD2 H 1 2.543 0.020 . . . . . . B 164 PRO HD2 . 30345 1 747 . 2 2 67 67 PRO HD3 H 1 2.970 0.020 . . . . . . B 164 PRO HD3 . 30345 1 748 . 2 2 67 67 PRO C C 13 176.102 0.400 . . . . . . B 164 PRO C . 30345 1 749 . 2 2 67 67 PRO CA C 13 62.327 0.400 . . . . . . B 164 PRO CA . 30345 1 750 . 2 2 67 67 PRO CB C 13 32.394 0.400 . . . . . . B 164 PRO CB . 30345 1 751 . 2 2 67 67 PRO CG C 13 28.200 0.400 . . . . . . B 164 PRO CG . 30345 1 752 . 2 2 67 67 PRO CD C 13 50.799 0.400 . . . . . . B 164 PRO CD . 30345 1 753 . 2 2 68 68 ASP H H 1 8.380 0.020 . . . . . . B 165 ASP H . 30345 1 754 . 2 2 68 68 ASP HA H 1 4.133 0.020 . . . . . . B 165 ASP HA . 30345 1 755 . 2 2 68 68 ASP HB2 H 1 2.612 0.020 . . . . . . B 165 ASP HB2 . 30345 1 756 . 2 2 68 68 ASP HB3 H 1 2.703 0.020 . . . . . . B 165 ASP HB3 . 30345 1 757 . 2 2 68 68 ASP C C 13 176.996 0.400 . . . . . . B 165 ASP C . 30345 1 758 . 2 2 68 68 ASP CA C 13 57.568 0.400 . . . . . . B 165 ASP CA . 30345 1 759 . 2 2 68 68 ASP CB C 13 40.403 0.400 . . . . . . B 165 ASP CB . 30345 1 760 . 2 2 68 68 ASP N N 15 121.383 0.400 . . . . . . B 165 ASP N . 30345 1 761 . 2 2 69 69 ALA H H 1 8.113 0.020 . . . . . . B 166 ALA H . 30345 1 762 . 2 2 69 69 ALA HA H 1 4.249 0.020 . . . . . . B 166 ALA HA . 30345 1 763 . 2 2 69 69 ALA HB1 H 1 1.405 0.020 . . . . . . B 166 ALA HB1 . 30345 1 764 . 2 2 69 69 ALA HB2 H 1 1.405 0.020 . . . . . . B 166 ALA HB2 . 30345 1 765 . 2 2 69 69 ALA HB3 H 1 1.405 0.020 . . . . . . B 166 ALA HB3 . 30345 1 766 . 2 2 69 69 ALA C C 13 177.501 0.400 . . . . . . B 166 ALA C . 30345 1 767 . 2 2 69 69 ALA CA C 13 52.766 0.400 . . . . . . B 166 ALA CA . 30345 1 768 . 2 2 69 69 ALA CB C 13 18.715 0.400 . . . . . . B 166 ALA CB . 30345 1 769 . 2 2 69 69 ALA N N 15 118.849 0.400 . . . . . . B 166 ALA N . 30345 1 770 . 2 2 70 70 GLY H H 1 7.937 0.020 . . . . . . B 167 GLY H . 30345 1 771 . 2 2 70 70 GLY HA2 H 1 3.364 0.020 . . . . . . B 167 GLY HA2 . 30345 1 772 . 2 2 70 70 GLY HA3 H 1 4.401 0.020 . . . . . . B 167 GLY HA3 . 30345 1 773 . 2 2 70 70 GLY C C 13 172.819 0.400 . . . . . . B 167 GLY C . 30345 1 774 . 2 2 70 70 GLY CA C 13 43.392 0.400 . . . . . . B 167 GLY CA . 30345 1 775 . 2 2 70 70 GLY N N 15 108.037 0.400 . . . . . . B 167 GLY N . 30345 1 776 . 2 2 71 71 TRP H H 1 8.723 0.020 . . . . . . B 168 TRP H . 30345 1 777 . 2 2 71 71 TRP HA H 1 4.495 0.020 . . . . . . B 168 TRP HA . 30345 1 778 . 2 2 71 71 TRP HB2 H 1 3.052 0.020 . . . . . . B 168 TRP HB2 . 30345 1 779 . 2 2 71 71 TRP HB3 H 1 3.253 0.020 . . . . . . B 168 TRP HB3 . 30345 1 780 . 2 2 71 71 TRP HD1 H 1 7.237 0.020 . . . . . . B 168 TRP HD1 . 30345 1 781 . 2 2 71 71 TRP HE1 H 1 10.073 0.020 . . . . . . B 168 TRP HE1 . 30345 1 782 . 2 2 71 71 TRP HE3 H 1 6.058 0.020 . . . . . . B 168 TRP HE3 . 30345 1 783 . 2 2 71 71 TRP HZ2 H 1 6.971 0.020 . . . . . . B 168 TRP HZ2 . 30345 1 784 . 2 2 71 71 TRP HZ3 H 1 6.907 0.020 . . . . . . B 168 TRP HZ3 . 30345 1 785 . 2 2 71 71 TRP HH2 H 1 6.362 0.020 . . . . . . B 168 TRP HH2 . 30345 1 786 . 2 2 71 71 TRP C C 13 180.487 0.400 . . . . . . B 168 TRP C . 30345 1 787 . 2 2 71 71 TRP CA C 13 58.733 0.400 . . . . . . B 168 TRP CA . 30345 1 788 . 2 2 71 71 TRP CB C 13 30.539 0.400 . . . . . . B 168 TRP CB . 30345 1 789 . 2 2 71 71 TRP CD1 C 13 128.226 0.400 . . . . . . B 168 TRP CD1 . 30345 1 790 . 2 2 71 71 TRP CE3 C 13 120.279 0.400 . . . . . . B 168 TRP CE3 . 30345 1 791 . 2 2 71 71 TRP CZ2 C 13 114.282 0.400 . . . . . . B 168 TRP CZ2 . 30345 1 792 . 2 2 71 71 TRP CZ3 C 13 121.507 0.400 . . . . . . B 168 TRP CZ3 . 30345 1 793 . 2 2 71 71 TRP CH2 C 13 122.788 0.400 . . . . . . B 168 TRP CH2 . 30345 1 794 . 2 2 71 71 TRP N N 15 120.707 0.400 . . . . . . B 168 TRP N . 30345 1 795 . 2 2 71 71 TRP NE1 N 15 127.872 0.400 . . . . . . B 168 TRP NE1 . 30345 1 796 . 2 2 72 72 GLY H H 1 8.722 0.020 . . . . . . B 169 GLY H . 30345 1 797 . 2 2 72 72 GLY HA2 H 1 3.888 0.020 . . . . . . B 169 GLY HA2 . 30345 1 798 . 2 2 72 72 GLY HA3 H 1 3.888 0.020 . . . . . . B 169 GLY HA3 . 30345 1 799 . 2 2 72 72 GLY C C 13 173.912 0.400 . . . . . . B 169 GLY C . 30345 1 800 . 2 2 72 72 GLY CA C 13 45.958 0.400 . . . . . . B 169 GLY CA . 30345 1 801 . 2 2 72 72 GLY N N 15 103.578 0.400 . . . . . . B 169 GLY N . 30345 1 802 . 2 2 73 73 ASN H H 1 8.805 0.020 . . . . . . B 170 ASN H . 30345 1 803 . 2 2 73 73 ASN HA H 1 5.047 0.020 . . . . . . B 170 ASN HA . 30345 1 804 . 2 2 73 73 ASN HB2 H 1 2.764 0.020 . . . . . . B 170 ASN HB2 . 30345 1 805 . 2 2 73 73 ASN HB3 H 1 2.941 0.020 . . . . . . B 170 ASN HB3 . 30345 1 806 . 2 2 73 73 ASN HD21 H 1 7.569 0.020 . . . . . . B 170 ASN HD21 . 30345 1 807 . 2 2 73 73 ASN HD22 H 1 6.870 0.020 . . . . . . B 170 ASN HD22 . 30345 1 808 . 2 2 73 73 ASN C C 13 175.340 0.400 . . . . . . B 170 ASN C . 30345 1 809 . 2 2 73 73 ASN CA C 13 52.087 0.400 . . . . . . B 170 ASN CA . 30345 1 810 . 2 2 73 73 ASN CB C 13 38.573 0.400 . . . . . . B 170 ASN CB . 30345 1 811 . 2 2 73 73 ASN N N 15 120.144 0.400 . . . . . . B 170 ASN N . 30345 1 812 . 2 2 73 73 ASN ND2 N 15 111.780 0.400 . . . . . . B 170 ASN ND2 . 30345 1 813 . 2 2 74 74 LEU H H 1 6.922 0.020 . . . . . . B 171 LEU H . 30345 1 814 . 2 2 74 74 LEU HA H 1 4.155 0.020 . . . . . . B 171 LEU HA . 30345 1 815 . 2 2 74 74 LEU HB2 H 1 1.025 0.020 . . . . . . B 171 LEU HB2 . 30345 1 816 . 2 2 74 74 LEU HB3 H 1 1.463 0.020 . . . . . . B 171 LEU HB3 . 30345 1 817 . 2 2 74 74 LEU HG H 1 1.652 0.020 . . . . . . B 171 LEU HG . 30345 1 818 . 2 2 74 74 LEU HD11 H 1 0.879 0.020 . . . . . . B 171 LEU HD11 . 30345 1 819 . 2 2 74 74 LEU HD12 H 1 0.879 0.020 . . . . . . B 171 LEU HD12 . 30345 1 820 . 2 2 74 74 LEU HD13 H 1 0.879 0.020 . . . . . . B 171 LEU HD13 . 30345 1 821 . 2 2 74 74 LEU HD21 H 1 0.721 0.020 . . . . . . B 171 LEU HD21 . 30345 1 822 . 2 2 74 74 LEU HD22 H 1 0.721 0.020 . . . . . . B 171 LEU HD22 . 30345 1 823 . 2 2 74 74 LEU HD23 H 1 0.721 0.020 . . . . . . B 171 LEU HD23 . 30345 1 824 . 2 2 74 74 LEU C C 13 174.131 0.400 . . . . . . B 171 LEU C . 30345 1 825 . 2 2 74 74 LEU CA C 13 54.865 0.400 . . . . . . B 171 LEU CA . 30345 1 826 . 2 2 74 74 LEU CB C 13 41.575 0.400 . . . . . . B 171 LEU CB . 30345 1 827 . 2 2 74 74 LEU CG C 13 27.302 0.400 . . . . . . B 171 LEU CG . 30345 1 828 . 2 2 74 74 LEU CD1 C 13 22.991 0.400 . . . . . . B 171 LEU CD1 . 30345 1 829 . 2 2 74 74 LEU CD2 C 13 25.699 0.400 . . . . . . B 171 LEU CD2 . 30345 1 830 . 2 2 74 74 LEU N N 15 119.005 0.400 . . . . . . B 171 LEU N . 30345 1 831 . 2 2 75 75 VAL H H 1 7.791 0.020 . . . . . . B 172 VAL H . 30345 1 832 . 2 2 75 75 VAL HA H 1 4.093 0.020 . . . . . . B 172 VAL HA . 30345 1 833 . 2 2 75 75 VAL HB H 1 1.841 0.020 . . . . . . B 172 VAL HB . 30345 1 834 . 2 2 75 75 VAL HG11 H 1 0.894 0.020 . . . . . . B 172 VAL HG11 . 30345 1 835 . 2 2 75 75 VAL HG12 H 1 0.894 0.020 . . . . . . B 172 VAL HG12 . 30345 1 836 . 2 2 75 75 VAL HG13 H 1 0.894 0.020 . . . . . . B 172 VAL HG13 . 30345 1 837 . 2 2 75 75 VAL HG21 H 1 0.792 0.020 . . . . . . B 172 VAL HG21 . 30345 1 838 . 2 2 75 75 VAL HG22 H 1 0.792 0.020 . . . . . . B 172 VAL HG22 . 30345 1 839 . 2 2 75 75 VAL HG23 H 1 0.792 0.020 . . . . . . B 172 VAL HG23 . 30345 1 840 . 2 2 75 75 VAL C C 13 174.229 0.400 . . . . . . B 172 VAL C . 30345 1 841 . 2 2 75 75 VAL CA C 13 62.482 0.400 . . . . . . B 172 VAL CA . 30345 1 842 . 2 2 75 75 VAL CB C 13 32.334 0.400 . . . . . . B 172 VAL CB . 30345 1 843 . 2 2 75 75 VAL CG1 C 13 21.812 0.400 . . . . . . B 172 VAL CG1 . 30345 1 844 . 2 2 75 75 VAL CG2 C 13 22.587 0.400 . . . . . . B 172 VAL CG2 . 30345 1 845 . 2 2 75 75 VAL N N 15 118.046 0.400 . . . . . . B 172 VAL N . 30345 1 846 . 2 2 76 76 TYR H H 1 8.908 0.020 . . . . . . B 173 TYR H . 30345 1 847 . 2 2 76 76 TYR HA H 1 4.714 0.020 . . . . . . B 173 TYR HA . 30345 1 848 . 2 2 76 76 TYR HB2 H 1 2.715 0.020 . . . . . . B 173 TYR HB2 . 30345 1 849 . 2 2 76 76 TYR HB3 H 1 2.975 0.020 . . . . . . B 173 TYR HB3 . 30345 1 850 . 2 2 76 76 TYR HD1 H 1 6.720 0.020 . . . . . . B 173 TYR HD1 . 30345 1 851 . 2 2 76 76 TYR HD2 H 1 6.720 0.020 . . . . . . B 173 TYR HD2 . 30345 1 852 . 2 2 76 76 TYR HE1 H 1 6.735 0.020 . . . . . . B 173 TYR HE1 . 30345 1 853 . 2 2 76 76 TYR HE2 H 1 6.735 0.020 . . . . . . B 173 TYR HE2 . 30345 1 854 . 2 2 76 76 TYR C C 13 174.228 0.400 . . . . . . B 173 TYR C . 30345 1 855 . 2 2 76 76 TYR CA C 13 57.890 0.400 . . . . . . B 173 TYR CA . 30345 1 856 . 2 2 76 76 TYR CB C 13 40.212 0.400 . . . . . . B 173 TYR CB . 30345 1 857 . 2 2 76 76 TYR CD1 C 13 132.995 0.400 . . . . . . B 173 TYR CD1 . 30345 1 858 . 2 2 76 76 TYR CE1 C 13 118.559 0.400 . . . . . . B 173 TYR CE1 . 30345 1 859 . 2 2 76 76 TYR N N 15 127.331 0.400 . . . . . . B 173 TYR N . 30345 1 860 . 2 2 77 77 VAL H H 1 9.642 0.020 . . . . . . B 174 VAL H . 30345 1 861 . 2 2 77 77 VAL HA H 1 4.741 0.020 . . . . . . B 174 VAL HA . 30345 1 862 . 2 2 77 77 VAL HB H 1 1.664 0.020 . . . . . . B 174 VAL HB . 30345 1 863 . 2 2 77 77 VAL HG11 H 1 0.703 0.020 . . . . . . B 174 VAL HG11 . 30345 1 864 . 2 2 77 77 VAL HG12 H 1 0.703 0.020 . . . . . . B 174 VAL HG12 . 30345 1 865 . 2 2 77 77 VAL HG13 H 1 0.703 0.020 . . . . . . B 174 VAL HG13 . 30345 1 866 . 2 2 77 77 VAL HG21 H 1 0.703 0.020 . . . . . . B 174 VAL HG21 . 30345 1 867 . 2 2 77 77 VAL HG22 H 1 0.703 0.020 . . . . . . B 174 VAL HG22 . 30345 1 868 . 2 2 77 77 VAL HG23 H 1 0.703 0.020 . . . . . . B 174 VAL HG23 . 30345 1 869 . 2 2 77 77 VAL C C 13 176.748 0.400 . . . . . . B 174 VAL C . 30345 1 870 . 2 2 77 77 VAL CA C 13 60.067 0.400 . . . . . . B 174 VAL CA . 30345 1 871 . 2 2 77 77 VAL CB C 13 33.573 0.400 . . . . . . B 174 VAL CB . 30345 1 872 . 2 2 77 77 VAL CG1 C 13 21.262 0.400 . . . . . . B 174 VAL CG1 . 30345 1 873 . 2 2 77 77 VAL N N 15 123.513 0.400 . . . . . . B 174 VAL N . 30345 1 874 . 2 2 78 78 VAL H H 1 7.866 0.020 . . . . . . B 175 VAL H . 30345 1 875 . 2 2 78 78 VAL HA H 1 4.078 0.020 . . . . . . B 175 VAL HA . 30345 1 876 . 2 2 78 78 VAL HB H 1 1.333 0.020 . . . . . . B 175 VAL HB . 30345 1 877 . 2 2 78 78 VAL HG11 H 1 0.158 0.020 . . . . . . B 175 VAL HG11 . 30345 1 878 . 2 2 78 78 VAL HG12 H 1 0.158 0.020 . . . . . . B 175 VAL HG12 . 30345 1 879 . 2 2 78 78 VAL HG13 H 1 0.158 0.020 . . . . . . B 175 VAL HG13 . 30345 1 880 . 2 2 78 78 VAL HG21 H 1 0.167 0.020 . . . . . . B 175 VAL HG21 . 30345 1 881 . 2 2 78 78 VAL HG22 H 1 0.167 0.020 . . . . . . B 175 VAL HG22 . 30345 1 882 . 2 2 78 78 VAL HG23 H 1 0.167 0.020 . . . . . . B 175 VAL HG23 . 30345 1 883 . 2 2 78 78 VAL C C 13 174.369 0.400 . . . . . . B 175 VAL C . 30345 1 884 . 2 2 78 78 VAL CA C 13 62.183 0.400 . . . . . . B 175 VAL CA . 30345 1 885 . 2 2 78 78 VAL CB C 13 32.792 0.400 . . . . . . B 175 VAL CB . 30345 1 886 . 2 2 78 78 VAL CG1 C 13 22.243 0.400 . . . . . . B 175 VAL CG1 . 30345 1 887 . 2 2 78 78 VAL CG2 C 13 20.463 0.400 . . . . . . B 175 VAL CG2 . 30345 1 888 . 2 2 78 78 VAL N N 15 122.071 0.400 . . . . . . B 175 VAL N . 30345 1 889 . 2 2 79 79 ASN H H 1 7.754 0.020 . . . . . . B 176 ASN H . 30345 1 890 . 2 2 79 79 ASN HA H 1 4.890 0.020 . . . . . . B 176 ASN HA . 30345 1 891 . 2 2 79 79 ASN HB2 H 1 2.078 0.020 . . . . . . B 176 ASN HB2 . 30345 1 892 . 2 2 79 79 ASN HB3 H 1 2.322 0.020 . . . . . . B 176 ASN HB3 . 30345 1 893 . 2 2 79 79 ASN HD21 H 1 7.175 0.020 . . . . . . B 176 ASN HD21 . 30345 1 894 . 2 2 79 79 ASN HD22 H 1 6.263 0.020 . . . . . . B 176 ASN HD22 . 30345 1 895 . 2 2 79 79 ASN C C 13 172.816 0.400 . . . . . . B 176 ASN C . 30345 1 896 . 2 2 79 79 ASN CA C 13 51.021 0.400 . . . . . . B 176 ASN CA . 30345 1 897 . 2 2 79 79 ASN CB C 13 40.847 0.400 . . . . . . B 176 ASN CB . 30345 1 898 . 2 2 79 79 ASN N N 15 121.313 0.400 . . . . . . B 176 ASN N . 30345 1 899 . 2 2 79 79 ASN ND2 N 15 110.969 0.400 . . . . . . B 176 ASN ND2 . 30345 1 900 . 2 2 80 80 TYR H H 1 8.135 0.020 . . . . . . B 177 TYR H . 30345 1 901 . 2 2 80 80 TYR HA H 1 5.139 0.020 . . . . . . B 177 TYR HA . 30345 1 902 . 2 2 80 80 TYR HB2 H 1 2.451 0.020 . . . . . . B 177 TYR HB2 . 30345 1 903 . 2 2 80 80 TYR HB3 H 1 2.451 0.020 . . . . . . B 177 TYR HB3 . 30345 1 904 . 2 2 80 80 TYR HD1 H 1 6.720 0.020 . . . . . . B 177 TYR HD1 . 30345 1 905 . 2 2 80 80 TYR HD2 H 1 6.720 0.020 . . . . . . B 177 TYR HD2 . 30345 1 906 . 2 2 80 80 TYR HE1 H 1 6.735 0.020 . . . . . . B 177 TYR HE1 . 30345 1 907 . 2 2 80 80 TYR HE2 H 1 6.735 0.020 . . . . . . B 177 TYR HE2 . 30345 1 908 . 2 2 80 80 TYR CA C 13 55.629 0.400 . . . . . . B 177 TYR CA . 30345 1 909 . 2 2 80 80 TYR CB C 13 40.593 0.400 . . . . . . B 177 TYR CB . 30345 1 910 . 2 2 80 80 TYR CD1 C 13 132.995 0.400 . . . . . . B 177 TYR CD1 . 30345 1 911 . 2 2 80 80 TYR CE1 C 13 118.559 0.400 . . . . . . B 177 TYR CE1 . 30345 1 912 . 2 2 80 80 TYR N N 15 121.145 0.400 . . . . . . B 177 TYR N . 30345 1 913 . 2 2 81 81 PRO HA H 1 4.483 0.020 . . . . . . B 178 PRO HA . 30345 1 914 . 2 2 81 81 PRO HB2 H 1 2.356 0.020 . . . . . . B 178 PRO HB2 . 30345 1 915 . 2 2 81 81 PRO HB3 H 1 2.036 0.020 . . . . . . B 178 PRO HB3 . 30345 1 916 . 2 2 81 81 PRO HG2 H 1 2.221 0.020 . . . . . . B 178 PRO HG2 . 30345 1 917 . 2 2 81 81 PRO HG3 H 1 1.995 0.020 . . . . . . B 178 PRO HG3 . 30345 1 918 . 2 2 81 81 PRO HD2 H 1 3.983 0.020 . . . . . . B 178 PRO HD2 . 30345 1 919 . 2 2 81 81 PRO HD3 H 1 3.608 0.020 . . . . . . B 178 PRO HD3 . 30345 1 920 . 2 2 81 81 PRO C C 13 176.536 0.400 . . . . . . B 178 PRO C . 30345 1 921 . 2 2 81 81 PRO CA C 13 62.625 0.400 . . . . . . B 178 PRO CA . 30345 1 922 . 2 2 81 81 PRO CB C 13 31.921 0.400 . . . . . . B 178 PRO CB . 30345 1 923 . 2 2 81 81 PRO CG C 13 27.755 0.400 . . . . . . B 178 PRO CG . 30345 1 924 . 2 2 81 81 PRO CD C 13 50.835 0.400 . . . . . . B 178 PRO CD . 30345 1 925 . 2 2 82 82 LYS H H 1 8.700 0.020 . . . . . . B 179 LYS H . 30345 1 926 . 2 2 82 82 LYS HA H 1 4.307 0.020 . . . . . . B 179 LYS HA . 30345 1 927 . 2 2 82 82 LYS HB2 H 1 1.890 0.020 . . . . . . B 179 LYS HB2 . 30345 1 928 . 2 2 82 82 LYS HB3 H 1 1.787 0.020 . . . . . . B 179 LYS HB3 . 30345 1 929 . 2 2 82 82 LYS HG2 H 1 1.481 0.020 . . . . . . B 179 LYS HG2 . 30345 1 930 . 2 2 82 82 LYS HG3 H 1 1.481 0.020 . . . . . . B 179 LYS HG3 . 30345 1 931 . 2 2 82 82 LYS HD2 H 1 1.679 0.020 . . . . . . B 179 LYS HD2 . 30345 1 932 . 2 2 82 82 LYS HD3 H 1 1.679 0.020 . . . . . . B 179 LYS HD3 . 30345 1 933 . 2 2 82 82 LYS HE2 H 1 3.048 0.020 . . . . . . B 179 LYS HE2 . 30345 1 934 . 2 2 82 82 LYS HE3 H 1 3.048 0.020 . . . . . . B 179 LYS HE3 . 30345 1 935 . 2 2 82 82 LYS C C 13 175.746 0.400 . . . . . . B 179 LYS C . 30345 1 936 . 2 2 82 82 LYS CA C 13 56.459 0.400 . . . . . . B 179 LYS CA . 30345 1 937 . 2 2 82 82 LYS CB C 13 33.233 0.400 . . . . . . B 179 LYS CB . 30345 1 938 . 2 2 82 82 LYS CG C 13 24.832 0.400 . . . . . . B 179 LYS CG . 30345 1 939 . 2 2 82 82 LYS CD C 13 29.043 0.400 . . . . . . B 179 LYS CD . 30345 1 940 . 2 2 82 82 LYS CE C 13 42.208 0.400 . . . . . . B 179 LYS CE . 30345 1 941 . 2 2 82 82 LYS N N 15 122.445 0.400 . . . . . . B 179 LYS N . 30345 1 942 . 2 2 83 83 ASP H H 1 7.921 0.020 . . . . . . B 180 ASP H . 30345 1 943 . 2 2 83 83 ASP HA H 1 4.388 0.020 . . . . . . B 180 ASP HA . 30345 1 944 . 2 2 83 83 ASP HB2 H 1 2.736 0.020 . . . . . . B 180 ASP HB2 . 30345 1 945 . 2 2 83 83 ASP HB3 H 1 2.639 0.020 . . . . . . B 180 ASP HB3 . 30345 1 946 . 2 2 83 83 ASP CA C 13 55.619 0.400 . . . . . . B 180 ASP CA . 30345 1 947 . 2 2 83 83 ASP CB C 13 42.062 0.400 . . . . . . B 180 ASP CB . 30345 1 948 . 2 2 83 83 ASP N N 15 126.120 0.400 . . . . . . B 180 ASP N . 30345 1 stop_ save_ save_assigned_chemical_shifts_2 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chemical_shifts_2 _Assigned_chem_shift_list.Entry_ID 30345 _Assigned_chem_shift_list.ID 2 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chem_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err 0.02 _Assigned_chem_shift_list.Chem_shift_13C_err 0.4 _Assigned_chem_shift_list.Chem_shift_15N_err 0.4 _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 'NOESY analysis' _Assigned_chem_shift_list.Details ; The ambiguity code for most assignments is 1; the assignments are not stereo-specific. The ambiguity code will be 2 for all geminal atoms or geminal methyls, and 3 for all aromatic side-chains. ; _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 1 '2D 1H-15N HSQC' . . . 30345 2 2 '2D 1H-15N HSQC' . . . 30345 2 3 '2D 1H-13C HSQC' . . . 30345 2 4 '2D 1H-13C HSQC' . . . 30345 2 5 '3D HNCO' . . . 30345 2 6 '3D Filtered 1H-13C NOESY' . . . 30345 2 7 '3D 1H-15N NOESY' . . . 30345 2 8 '3D 1H-15N NOESY' . . . 30345 2 9 '3D 1H-13C NOESY aliphatic' . . . 30345 2 10 hbCBcgcdceHE . . . 30345 2 11 hbCBcgcdceHE . . . 30345 2 12 hbCBcgcdHD . . . 30345 2 13 hbCBcgcdHD . . . 30345 2 14 '3D HCCH-COSY' . . . 30345 2 15 '3D HCCH-COSY' . . . 30345 2 16 '3D HBHA(CO)NH' . . . 30345 2 17 '3D HBHA(CO)NH' . . . 30345 2 18 '3D CBCA(CO)NH' . . . 30345 2 19 '3D CBCA(CO)NH' . . . 30345 2 20 '3D HNCA' . . . 30345 2 21 '3D HNCA' . . . 30345 2 22 '3D HNCO' . . . 30345 2 23 '3D CCH-TOCSY' . . . 30345 2 24 '3D CCH-TOCSY' . . . 30345 2 25 '3D 1H-13C NOESY aromatic' . . . 30345 2 26 '3D 1H-13C NOESY aromatic' . . . 30345 2 27 '3D 1H-13C NOESY aliphatic' . . . 30345 2 28 '3D Filtered 1H-15N NOESY' . . . 30345 2 29 '3D Filtered 1H-13C NOESY' . . . 30345 2 30 '3D Filtered 1H-15N NOESY' . . . 30345 2 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Ambiguity_set_ID _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 1 4 4 MET H H 1 8.410 0.020 . . . . . . A 1 MET H1 . 30345 2 2 . 1 1 4 4 MET HA H 1 4.537 0.020 . . . . . . A 1 MET HA . 30345 2 3 . 1 1 4 4 MET HB2 H 1 2.026 0.020 . . . . . . A 1 MET HB2 . 30345 2 4 . 1 1 4 4 MET HB3 H 1 2.125 0.020 . . . . . . A 1 MET HB3 . 30345 2 5 . 1 1 4 4 MET HE1 H 1 2.082 0.020 . . . . . . A 1 MET HE1 . 30345 2 6 . 1 1 4 4 MET HE2 H 1 2.082 0.020 . . . . . . A 1 MET HE2 . 30345 2 7 . 1 1 4 4 MET HE3 H 1 2.082 0.020 . . . . . . A 1 MET HE3 . 30345 2 8 . 1 1 4 4 MET C C 13 175.978 0.400 . . . . . . A 1 MET C . 30345 2 9 . 1 1 4 4 MET CA C 13 55.483 0.400 . . . . . . A 1 MET CA . 30345 2 10 . 1 1 4 4 MET CB C 13 31.980 0.400 . . . . . . A 1 MET CB . 30345 2 11 . 1 1 4 4 MET CE C 13 16.993 0.400 . . . . . . A 1 MET CE . 30345 2 12 . 1 1 4 4 MET N N 15 120.644 0.400 . . . . . . A 1 MET N . 30345 2 13 . 1 1 5 5 SER H H 1 8.513 0.020 . . . . . . A 2 SER H . 30345 2 14 . 1 1 5 5 SER HA H 1 4.318 0.020 . . . . . . A 2 SER HA . 30345 2 15 . 1 1 5 5 SER HB2 H 1 3.786 0.020 . . . . . . A 2 SER HB2 . 30345 2 16 . 1 1 5 5 SER HB3 H 1 3.786 0.020 . . . . . . A 2 SER HB3 . 30345 2 17 . 1 1 5 5 SER C C 13 174.127 0.400 . . . . . . A 2 SER C . 30345 2 18 . 1 1 5 5 SER CA C 13 58.920 0.400 . . . . . . A 2 SER CA . 30345 2 19 . 1 1 5 5 SER CB C 13 63.746 0.400 . . . . . . A 2 SER CB . 30345 2 20 . 1 1 5 5 SER N N 15 117.571 0.400 . . . . . . A 2 SER N . 30345 2 21 . 1 1 6 6 GLU H H 1 8.473 0.020 . . . . . . A 3 GLU H . 30345 2 22 . 1 1 6 6 GLU HA H 1 4.399 0.020 . . . . . . A 3 GLU HA . 30345 2 23 . 1 1 6 6 GLU HB2 H 1 1.908 0.020 . . . . . . A 3 GLU HB2 . 30345 2 24 . 1 1 6 6 GLU HB3 H 1 2.031 0.020 . . . . . . A 3 GLU HB3 . 30345 2 25 . 1 1 6 6 GLU HG2 H 1 2.227 0.020 . . . . . . A 3 GLU HG2 . 30345 2 26 . 1 1 6 6 GLU HG3 H 1 2.227 0.020 . . . . . . A 3 GLU HG3 . 30345 2 27 . 1 1 6 6 GLU C C 13 175.142 0.400 . . . . . . A 3 GLU C . 30345 2 28 . 1 1 6 6 GLU CA C 13 56.202 0.400 . . . . . . A 3 GLU CA . 30345 2 29 . 1 1 6 6 GLU CB C 13 31.681 0.400 . . . . . . A 3 GLU CB . 30345 2 30 . 1 1 6 6 GLU CG C 13 36.464 0.400 . . . . . . A 3 GLU CG . 30345 2 31 . 1 1 6 6 GLU N N 15 123.331 0.400 . . . . . . A 3 GLU N . 30345 2 32 . 1 1 7 7 TYR H H 1 8.175 0.020 . . . . . . A 4 TYR H . 30345 2 33 . 1 1 7 7 TYR HA H 1 5.055 0.020 . . . . . . A 4 TYR HA . 30345 2 34 . 1 1 7 7 TYR HB2 H 1 3.021 0.020 . . . . . . A 4 TYR HB2 . 30345 2 35 . 1 1 7 7 TYR HB3 H 1 3.021 0.020 . . . . . . A 4 TYR HB3 . 30345 2 36 . 1 1 7 7 TYR HD1 H 1 7.067 0.020 . . . . . . A 4 TYR HD1 . 30345 2 37 . 1 1 7 7 TYR HD2 H 1 7.067 0.020 . . . . . . A 4 TYR HD2 . 30345 2 38 . 1 1 7 7 TYR HE1 H 1 6.433 0.020 . . . . . . A 4 TYR HE1 . 30345 2 39 . 1 1 7 7 TYR HE2 H 1 6.685 0.020 . . . . . . A 4 TYR HE2 . 30345 2 40 . 1 1 7 7 TYR C C 13 174.858 0.400 . . . . . . A 4 TYR C . 30345 2 41 . 1 1 7 7 TYR CA C 13 56.415 0.400 . . . . . . A 4 TYR CA . 30345 2 42 . 1 1 7 7 TYR CB C 13 40.840 0.400 . . . . . . A 4 TYR CB . 30345 2 43 . 1 1 7 7 TYR CD1 C 13 133.743 0.400 . . . . . . A 4 TYR CD1 . 30345 2 44 . 1 1 7 7 TYR CE1 C 13 118.008 0.400 . . . . . . A 4 TYR CE1 . 30345 2 45 . 1 1 7 7 TYR CE2 C 13 118.025 0.400 . . . . . . A 4 TYR CE2 . 30345 2 46 . 1 1 7 7 TYR N N 15 118.416 0.400 . . . . . . A 4 TYR N . 30345 2 47 . 1 1 8 8 ILE H H 1 8.815 0.020 . . . . . . A 5 ILE H . 30345 2 48 . 1 1 8 8 ILE HA H 1 4.612 0.020 . . . . . . A 5 ILE HA . 30345 2 49 . 1 1 8 8 ILE HB H 1 1.455 0.020 . . . . . . A 5 ILE HB . 30345 2 50 . 1 1 8 8 ILE HG12 H 1 0.177 0.020 . . . . . . A 5 ILE HG12 . 30345 2 51 . 1 1 8 8 ILE HG13 H 1 0.841 0.020 . . . . . . A 5 ILE HG13 . 30345 2 52 . 1 1 8 8 ILE HG21 H 1 -0.190 0.020 . . . . . . A 5 ILE HG21 . 30345 2 53 . 1 1 8 8 ILE HG22 H 1 -0.190 0.020 . . . . . . A 5 ILE HG22 . 30345 2 54 . 1 1 8 8 ILE HG23 H 1 -0.190 0.020 . . . . . . A 5 ILE HG23 . 30345 2 55 . 1 1 8 8 ILE HD11 H 1 -0.492 0.020 . . . . . . A 5 ILE HD11 . 30345 2 56 . 1 1 8 8 ILE HD12 H 1 -0.492 0.020 . . . . . . A 5 ILE HD12 . 30345 2 57 . 1 1 8 8 ILE HD13 H 1 -0.492 0.020 . . . . . . A 5 ILE HD13 . 30345 2 58 . 1 1 8 8 ILE C C 13 175.098 0.400 . . . . . . A 5 ILE C . 30345 2 59 . 1 1 8 8 ILE CA C 13 59.183 0.400 . . . . . . A 5 ILE CA . 30345 2 60 . 1 1 8 8 ILE CB C 13 40.656 0.400 . . . . . . A 5 ILE CB . 30345 2 61 . 1 1 8 8 ILE CG1 C 13 26.047 0.400 . . . . . . A 5 ILE CG1 . 30345 2 62 . 1 1 8 8 ILE CG2 C 13 17.166 0.400 . . . . . . A 5 ILE CG2 . 30345 2 63 . 1 1 8 8 ILE CD1 C 13 13.899 0.400 . . . . . . A 5 ILE CD1 . 30345 2 64 . 1 1 8 8 ILE N N 15 115.981 0.400 . . . . . . A 5 ILE N . 30345 2 65 . 1 1 9 9 ARG H H 1 8.762 0.020 . . . . . . A 6 ARG H . 30345 2 66 . 1 1 9 9 ARG HA H 1 4.792 0.020 . . . . . . A 6 ARG HA . 30345 2 67 . 1 1 9 9 ARG C C 13 174.790 0.400 . . . . . . A 6 ARG C . 30345 2 68 . 1 1 9 9 ARG CA C 13 56.266 0.400 . . . . . . A 6 ARG CA . 30345 2 69 . 1 1 9 9 ARG N N 15 123.747 0.400 . . . . . . A 6 ARG N . 30345 2 70 . 1 1 10 10 VAL H H 1 8.966 0.020 . . . . . . A 7 VAL H . 30345 2 71 . 1 1 10 10 VAL HA H 1 5.456 0.020 . . . . . . A 7 VAL HA . 30345 2 72 . 1 1 10 10 VAL HB H 1 1.835 0.020 . . . . . . A 7 VAL HB . 30345 2 73 . 1 1 10 10 VAL HG11 H 1 0.590 0.020 . . . . . . A 7 VAL HG11 . 30345 2 74 . 1 1 10 10 VAL HG12 H 1 0.590 0.020 . . . . . . A 7 VAL HG12 . 30345 2 75 . 1 1 10 10 VAL HG13 H 1 0.590 0.020 . . . . . . A 7 VAL HG13 . 30345 2 76 . 1 1 10 10 VAL HG21 H 1 0.862 0.020 . . . . . . A 7 VAL HG21 . 30345 2 77 . 1 1 10 10 VAL HG22 H 1 0.862 0.020 . . . . . . A 7 VAL HG22 . 30345 2 78 . 1 1 10 10 VAL HG23 H 1 0.862 0.020 . . . . . . A 7 VAL HG23 . 30345 2 79 . 1 1 10 10 VAL C C 13 173.729 0.400 . . . . . . A 7 VAL C . 30345 2 80 . 1 1 10 10 VAL CA C 13 60.192 0.400 . . . . . . A 7 VAL CA . 30345 2 81 . 1 1 10 10 VAL CB C 13 35.373 0.400 . . . . . . A 7 VAL CB . 30345 2 82 . 1 1 10 10 VAL CG1 C 13 24.572 0.400 . . . . . . A 7 VAL CG1 . 30345 2 83 . 1 1 10 10 VAL CG2 C 13 22.900 0.400 . . . . . . A 7 VAL CG2 . 30345 2 84 . 1 1 10 10 VAL N N 15 123.105 0.400 . . . . . . A 7 VAL N . 30345 2 85 . 1 1 11 11 THR H H 1 8.710 0.020 . . . . . . A 8 THR H . 30345 2 86 . 1 1 11 11 THR HA H 1 5.082 0.020 . . . . . . A 8 THR HA . 30345 2 87 . 1 1 11 11 THR HB H 1 3.777 0.020 . . . . . . A 8 THR HB . 30345 2 88 . 1 1 11 11 THR HG21 H 1 0.903 0.020 . . . . . . A 8 THR HG21 . 30345 2 89 . 1 1 11 11 THR HG22 H 1 0.903 0.020 . . . . . . A 8 THR HG22 . 30345 2 90 . 1 1 11 11 THR HG23 H 1 0.903 0.020 . . . . . . A 8 THR HG23 . 30345 2 91 . 1 1 11 11 THR C C 13 171.932 0.400 . . . . . . A 8 THR C . 30345 2 92 . 1 1 11 11 THR CA C 13 58.136 0.400 . . . . . . A 8 THR CA . 30345 2 93 . 1 1 11 11 THR CB C 13 71.994 0.400 . . . . . . A 8 THR CB . 30345 2 94 . 1 1 11 11 THR CG2 C 13 20.743 0.400 . . . . . . A 8 THR CG2 . 30345 2 95 . 1 1 11 11 THR N N 15 118.561 0.400 . . . . . . A 8 THR N . 30345 2 96 . 1 1 12 12 GLU H H 1 8.736 0.020 . . . . . . A 9 GLU H . 30345 2 97 . 1 1 12 12 GLU HA H 1 4.344 0.020 . . . . . . A 9 GLU HA . 30345 2 98 . 1 1 12 12 GLU HB2 H 1 2.144 0.020 . . . . . . A 9 GLU HB2 . 30345 2 99 . 1 1 12 12 GLU HB3 H 1 2.267 0.020 . . . . . . A 9 GLU HB3 . 30345 2 100 . 1 1 12 12 GLU HG2 H 1 2.454 0.020 . . . . . . A 9 GLU HG2 . 30345 2 101 . 1 1 12 12 GLU HG3 H 1 2.454 0.020 . . . . . . A 9 GLU HG3 . 30345 2 102 . 1 1 12 12 GLU C C 13 175.821 0.400 . . . . . . A 9 GLU C . 30345 2 103 . 1 1 12 12 GLU CA C 13 57.246 0.400 . . . . . . A 9 GLU CA . 30345 2 104 . 1 1 12 12 GLU CB C 13 30.852 0.400 . . . . . . A 9 GLU CB . 30345 2 105 . 1 1 12 12 GLU CG C 13 36.949 0.400 . . . . . . A 9 GLU CG . 30345 2 106 . 1 1 12 12 GLU N N 15 122.102 0.400 . . . . . . A 9 GLU N . 30345 2 107 . 1 1 13 13 ASP H H 1 7.979 0.020 . . . . . . A 10 ASP H . 30345 2 108 . 1 1 13 13 ASP HA H 1 4.640 0.020 . . . . . . A 10 ASP HA . 30345 2 109 . 1 1 13 13 ASP HB2 H 1 2.687 0.020 . . . . . . A 10 ASP HB2 . 30345 2 110 . 1 1 13 13 ASP HB3 H 1 2.594 0.020 . . . . . . A 10 ASP HB3 . 30345 2 111 . 1 1 13 13 ASP C C 13 176.318 0.400 . . . . . . A 10 ASP C . 30345 2 112 . 1 1 13 13 ASP CA C 13 53.665 0.400 . . . . . . A 10 ASP CA . 30345 2 113 . 1 1 13 13 ASP CB C 13 44.555 0.400 . . . . . . A 10 ASP CB . 30345 2 114 . 1 1 13 13 ASP N N 15 119.363 0.400 . . . . . . A 10 ASP N . 30345 2 115 . 1 1 14 14 GLU H H 1 9.265 0.020 . . . . . . A 11 GLU H . 30345 2 116 . 1 1 14 14 GLU HA H 1 3.923 0.020 . . . . . . A 11 GLU HA . 30345 2 117 . 1 1 14 14 GLU HB2 H 1 1.967 0.020 . . . . . . A 11 GLU HB2 . 30345 2 118 . 1 1 14 14 GLU HB3 H 1 1.967 0.020 . . . . . . A 11 GLU HB3 . 30345 2 119 . 1 1 14 14 GLU HG2 H 1 2.151 0.020 . . . . . . A 11 GLU HG2 . 30345 2 120 . 1 1 14 14 GLU HG3 H 1 2.151 0.020 . . . . . . A 11 GLU HG3 . 30345 2 121 . 1 1 14 14 GLU C C 13 176.254 0.400 . . . . . . A 11 GLU C . 30345 2 122 . 1 1 14 14 GLU CA C 13 59.658 0.400 . . . . . . A 11 GLU CA . 30345 2 123 . 1 1 14 14 GLU CB C 13 29.888 0.400 . . . . . . A 11 GLU CB . 30345 2 124 . 1 1 14 14 GLU CG C 13 37.112 0.400 . . . . . . A 11 GLU CG . 30345 2 125 . 1 1 14 14 GLU N N 15 125.850 0.400 . . . . . . A 11 GLU N . 30345 2 126 . 1 1 15 15 ASN H H 1 9.046 0.020 . . . . . . A 12 ASN H . 30345 2 127 . 1 1 15 15 ASN HA H 1 4.740 0.020 . . . . . . A 12 ASN HA . 30345 2 128 . 1 1 15 15 ASN HB2 H 1 2.682 0.020 . . . . . . A 12 ASN HB2 . 30345 2 129 . 1 1 15 15 ASN HB3 H 1 2.863 0.020 . . . . . . A 12 ASN HB3 . 30345 2 130 . 1 1 15 15 ASN HD21 H 1 7.936 0.020 . . . . . . A 12 ASN HD21 . 30345 2 131 . 1 1 15 15 ASN HD22 H 1 6.935 0.020 . . . . . . A 12 ASN HD22 . 30345 2 132 . 1 1 15 15 ASN C C 13 174.990 0.400 . . . . . . A 12 ASN C . 30345 2 133 . 1 1 15 15 ASN CA C 13 54.079 0.400 . . . . . . A 12 ASN CA . 30345 2 134 . 1 1 15 15 ASN CB C 13 39.176 0.400 . . . . . . A 12 ASN CB . 30345 2 135 . 1 1 15 15 ASN N N 15 117.118 0.400 . . . . . . A 12 ASN N . 30345 2 136 . 1 1 15 15 ASN ND2 N 15 115.201 0.400 . . . . . . A 12 ASN ND2 . 30345 2 137 . 1 1 16 16 ASP H H 1 8.101 0.020 . . . . . . A 13 ASP H . 30345 2 138 . 1 1 16 16 ASP HA H 1 4.860 0.020 . . . . . . A 13 ASP HA . 30345 2 139 . 1 1 16 16 ASP HB2 H 1 2.827 0.020 . . . . . . A 13 ASP HB2 . 30345 2 140 . 1 1 16 16 ASP HB3 H 1 2.768 0.020 . . . . . . A 13 ASP HB3 . 30345 2 141 . 1 1 16 16 ASP C C 13 175.759 0.400 . . . . . . A 13 ASP C . 30345 2 142 . 1 1 16 16 ASP CA C 13 53.112 0.400 . . . . . . A 13 ASP CA . 30345 2 143 . 1 1 16 16 ASP CB C 13 42.156 0.400 . . . . . . A 13 ASP CB . 30345 2 144 . 1 1 16 16 ASP N N 15 121.142 0.400 . . . . . . A 13 ASP N . 30345 2 145 . 1 1 17 17 GLU H H 1 8.626 0.020 . . . . . . A 14 GLU H . 30345 2 146 . 1 1 17 17 GLU HA H 1 4.513 0.020 . . . . . . A 14 GLU HA . 30345 2 147 . 1 1 17 17 GLU HB2 H 1 2.054 0.020 . . . . . . A 14 GLU HB2 . 30345 2 148 . 1 1 17 17 GLU HB3 H 1 2.054 0.020 . . . . . . A 14 GLU HB3 . 30345 2 149 . 1 1 17 17 GLU HG2 H 1 2.425 0.020 . . . . . . A 14 GLU HG2 . 30345 2 150 . 1 1 17 17 GLU HG3 H 1 2.425 0.020 . . . . . . A 14 GLU HG3 . 30345 2 151 . 1 1 17 17 GLU CA C 13 54.426 0.400 . . . . . . A 14 GLU CA . 30345 2 152 . 1 1 17 17 GLU CB C 13 30.322 0.400 . . . . . . A 14 GLU CB . 30345 2 153 . 1 1 17 17 GLU CG C 13 36.190 0.400 . . . . . . A 14 GLU CG . 30345 2 154 . 1 1 17 17 GLU N N 15 123.304 0.400 . . . . . . A 14 GLU N . 30345 2 155 . 1 1 18 18 PRO HA H 1 4.751 0.020 . . . . . . A 15 PRO HA . 30345 2 156 . 1 1 18 18 PRO HB2 H 1 1.842 0.020 . . . . . . A 15 PRO HB2 . 30345 2 157 . 1 1 18 18 PRO HB3 H 1 1.987 0.020 . . . . . . A 15 PRO HB3 . 30345 2 158 . 1 1 18 18 PRO HG2 H 1 1.900 0.020 . . . . . . A 15 PRO HG2 . 30345 2 159 . 1 1 18 18 PRO HG3 H 1 2.021 0.020 . . . . . . A 15 PRO HG3 . 30345 2 160 . 1 1 18 18 PRO HD2 H 1 3.719 0.020 . . . . . . A 15 PRO HD2 . 30345 2 161 . 1 1 18 18 PRO HD3 H 1 4.087 0.020 . . . . . . A 15 PRO HD3 . 30345 2 162 . 1 1 18 18 PRO C C 13 175.462 0.400 . . . . . . A 15 PRO C . 30345 2 163 . 1 1 18 18 PRO CA C 13 62.480 0.400 . . . . . . A 15 PRO CA . 30345 2 164 . 1 1 18 18 PRO CB C 13 33.529 0.400 . . . . . . A 15 PRO CB . 30345 2 165 . 1 1 18 18 PRO CG C 13 27.220 0.400 . . . . . . A 15 PRO CG . 30345 2 166 . 1 1 18 18 PRO CD C 13 51.096 0.400 . . . . . . A 15 PRO CD . 30345 2 167 . 1 1 19 19 ILE H H 1 9.264 0.020 . . . . . . A 16 ILE H . 30345 2 168 . 1 1 19 19 ILE HA H 1 4.497 0.020 . . . . . . A 16 ILE HA . 30345 2 169 . 1 1 19 19 ILE HB H 1 1.835 0.020 . . . . . . A 16 ILE HB . 30345 2 170 . 1 1 19 19 ILE HG12 H 1 1.286 0.020 . . . . . . A 16 ILE HG12 . 30345 2 171 . 1 1 19 19 ILE HG13 H 1 1.476 0.020 . . . . . . A 16 ILE HG13 . 30345 2 172 . 1 1 19 19 ILE HG21 H 1 0.787 0.020 . . . . . . A 16 ILE HG21 . 30345 2 173 . 1 1 19 19 ILE HG22 H 1 0.787 0.020 . . . . . . A 16 ILE HG22 . 30345 2 174 . 1 1 19 19 ILE HG23 H 1 0.787 0.020 . . . . . . A 16 ILE HG23 . 30345 2 175 . 1 1 19 19 ILE HD11 H 1 0.626 0.020 . . . . . . A 16 ILE HD11 . 30345 2 176 . 1 1 19 19 ILE HD12 H 1 0.626 0.020 . . . . . . A 16 ILE HD12 . 30345 2 177 . 1 1 19 19 ILE HD13 H 1 0.626 0.020 . . . . . . A 16 ILE HD13 . 30345 2 178 . 1 1 19 19 ILE CA C 13 59.118 0.400 . . . . . . A 16 ILE CA . 30345 2 179 . 1 1 19 19 ILE CB C 13 40.103 0.400 . . . . . . A 16 ILE CB . 30345 2 180 . 1 1 19 19 ILE CG1 C 13 28.292 0.400 . . . . . . A 16 ILE CG1 . 30345 2 181 . 1 1 19 19 ILE CG2 C 13 16.935 0.400 . . . . . . A 16 ILE CG2 . 30345 2 182 . 1 1 19 19 ILE CD1 C 13 13.182 0.400 . . . . . . A 16 ILE CD1 . 30345 2 183 . 1 1 19 19 ILE N N 15 119.874 0.400 . . . . . . A 16 ILE N . 30345 2 184 . 1 1 20 20 GLU H H 1 8.098 0.020 . . . . . . A 17 GLU H . 30345 2 185 . 1 1 20 20 GLU HA H 1 4.809 0.020 . . . . . . A 17 GLU HA . 30345 2 186 . 1 1 20 20 GLU C C 13 175.685 0.400 . . . . . . A 17 GLU C . 30345 2 187 . 1 1 20 20 GLU CA C 13 54.586 0.400 . . . . . . A 17 GLU CA . 30345 2 188 . 1 1 20 20 GLU N N 15 121.120 0.400 . . . . . . A 17 GLU N . 30345 2 189 . 1 1 21 21 ILE H H 1 9.779 0.020 . . . . . . A 18 ILE H . 30345 2 190 . 1 1 21 21 ILE HA H 1 4.168 0.020 . . . . . . A 18 ILE HA . 30345 2 191 . 1 1 21 21 ILE HB H 1 1.956 0.020 . . . . . . A 18 ILE HB . 30345 2 192 . 1 1 21 21 ILE HG12 H 1 1.209 0.020 . . . . . . A 18 ILE HG12 . 30345 2 193 . 1 1 21 21 ILE HG13 H 1 1.209 0.020 . . . . . . A 18 ILE HG13 . 30345 2 194 . 1 1 21 21 ILE HG21 H 1 0.678 0.020 . . . . . . A 18 ILE HG21 . 30345 2 195 . 1 1 21 21 ILE HG22 H 1 0.678 0.020 . . . . . . A 18 ILE HG22 . 30345 2 196 . 1 1 21 21 ILE HG23 H 1 0.678 0.020 . . . . . . A 18 ILE HG23 . 30345 2 197 . 1 1 21 21 ILE HD11 H 1 0.756 0.020 . . . . . . A 18 ILE HD11 . 30345 2 198 . 1 1 21 21 ILE HD12 H 1 0.756 0.020 . . . . . . A 18 ILE HD12 . 30345 2 199 . 1 1 21 21 ILE HD13 H 1 0.756 0.020 . . . . . . A 18 ILE HD13 . 30345 2 200 . 1 1 21 21 ILE CA C 13 54.299 0.400 . . . . . . A 18 ILE CA . 30345 2 201 . 1 1 21 21 ILE CB C 13 38.004 0.400 . . . . . . A 18 ILE CB . 30345 2 202 . 1 1 21 21 ILE CG1 C 13 26.602 0.400 . . . . . . A 18 ILE CG1 . 30345 2 203 . 1 1 21 21 ILE CG2 C 13 17.470 0.400 . . . . . . A 18 ILE CG2 . 30345 2 204 . 1 1 21 21 ILE CD1 C 13 11.540 0.400 . . . . . . A 18 ILE CD1 . 30345 2 205 . 1 1 21 21 ILE N N 15 126.200 0.400 . . . . . . A 18 ILE N . 30345 2 206 . 1 1 22 22 PRO HA H 1 4.265 0.020 . . . . . . A 19 PRO HA . 30345 2 207 . 1 1 22 22 PRO HB2 H 1 1.803 0.020 . . . . . . A 19 PRO HB2 . 30345 2 208 . 1 1 22 22 PRO HB3 H 1 1.616 0.020 . . . . . . A 19 PRO HB3 . 30345 2 209 . 1 1 22 22 PRO HG2 H 1 1.572 0.020 . . . . . . A 19 PRO HG2 . 30345 2 210 . 1 1 22 22 PRO HG3 H 1 1.572 0.020 . . . . . . A 19 PRO HG3 . 30345 2 211 . 1 1 22 22 PRO C C 13 175.443 0.400 . . . . . . A 19 PRO C . 30345 2 212 . 1 1 22 22 PRO CA C 13 62.539 0.400 . . . . . . A 19 PRO CA . 30345 2 213 . 1 1 22 22 PRO CB C 13 32.474 0.400 . . . . . . A 19 PRO CB . 30345 2 214 . 1 1 22 22 PRO CG C 13 28.002 0.400 . . . . . . A 19 PRO CG . 30345 2 215 . 1 1 23 23 SER H H 1 7.987 0.020 . . . . . . A 20 SER H . 30345 2 216 . 1 1 23 23 SER HA H 1 4.575 0.020 . . . . . . A 20 SER HA . 30345 2 217 . 1 1 23 23 SER HB2 H 1 3.274 0.020 . . . . . . A 20 SER HB2 . 30345 2 218 . 1 1 23 23 SER HB3 H 1 4.022 0.020 . . . . . . A 20 SER HB3 . 30345 2 219 . 1 1 23 23 SER C C 13 174.666 0.400 . . . . . . A 20 SER C . 30345 2 220 . 1 1 23 23 SER CA C 13 56.623 0.400 . . . . . . A 20 SER CA . 30345 2 221 . 1 1 23 23 SER CB C 13 65.691 0.400 . . . . . . A 20 SER CB . 30345 2 222 . 1 1 23 23 SER N N 15 115.090 0.400 . . . . . . A 20 SER N . 30345 2 223 . 1 1 24 24 GLU H H 1 9.340 0.020 . . . . . . A 21 GLU H . 30345 2 224 . 1 1 24 24 GLU HA H 1 4.161 0.020 . . . . . . A 21 GLU HA . 30345 2 225 . 1 1 24 24 GLU HB2 H 1 2.134 0.020 . . . . . . A 21 GLU HB2 . 30345 2 226 . 1 1 24 24 GLU HB3 H 1 2.224 0.020 . . . . . . A 21 GLU HB3 . 30345 2 227 . 1 1 24 24 GLU HG2 H 1 2.134 0.020 . . . . . . A 21 GLU HG2 . 30345 2 228 . 1 1 24 24 GLU HG3 H 1 2.134 0.020 . . . . . . A 21 GLU HG3 . 30345 2 229 . 1 1 24 24 GLU C C 13 178.921 0.400 . . . . . . A 21 GLU C . 30345 2 230 . 1 1 24 24 GLU CA C 13 54.512 0.400 . . . . . . A 21 GLU CA . 30345 2 231 . 1 1 24 24 GLU CB C 13 31.363 0.400 . . . . . . A 21 GLU CB . 30345 2 232 . 1 1 24 24 GLU CG C 13 37.342 0.400 . . . . . . A 21 GLU CG . 30345 2 233 . 1 1 24 24 GLU N N 15 117.441 0.400 . . . . . . A 21 GLU N . 30345 2 234 . 1 1 25 25 ASP H H 1 8.971 0.020 . . . . . . A 22 ASP H . 30345 2 235 . 1 1 25 25 ASP HA H 1 4.273 0.020 . . . . . . A 22 ASP HA . 30345 2 236 . 1 1 25 25 ASP HB2 H 1 2.653 0.020 . . . . . . A 22 ASP HB2 . 30345 2 237 . 1 1 25 25 ASP HB3 H 1 2.653 0.020 . . . . . . A 22 ASP HB3 . 30345 2 238 . 1 1 25 25 ASP C C 13 176.413 0.400 . . . . . . A 22 ASP C . 30345 2 239 . 1 1 25 25 ASP CA C 13 57.041 0.400 . . . . . . A 22 ASP CA . 30345 2 240 . 1 1 25 25 ASP CB C 13 40.092 0.400 . . . . . . A 22 ASP CB . 30345 2 241 . 1 1 25 25 ASP N N 15 122.495 0.400 . . . . . . A 22 ASP N . 30345 2 242 . 1 1 26 26 ASP H H 1 7.607 0.020 . . . . . . A 23 ASP H . 30345 2 243 . 1 1 26 26 ASP HA H 1 4.541 0.020 . . . . . . A 23 ASP HA . 30345 2 244 . 1 1 26 26 ASP HB2 H 1 2.571 0.020 . . . . . . A 23 ASP HB2 . 30345 2 245 . 1 1 26 26 ASP HB3 H 1 3.087 0.020 . . . . . . A 23 ASP HB3 . 30345 2 246 . 1 1 26 26 ASP C C 13 177.746 0.400 . . . . . . A 23 ASP C . 30345 2 247 . 1 1 26 26 ASP CA C 13 52.855 0.400 . . . . . . A 23 ASP CA . 30345 2 248 . 1 1 26 26 ASP CB C 13 40.210 0.400 . . . . . . A 23 ASP CB . 30345 2 249 . 1 1 26 26 ASP N N 15 115.350 0.400 . . . . . . A 23 ASP N . 30345 2 250 . 1 1 27 27 GLY H H 1 8.168 0.020 . . . . . . A 24 GLY H . 30345 2 251 . 1 1 27 27 GLY HA2 H 1 3.932 0.020 . . . . . . A 24 GLY HA2 . 30345 2 252 . 1 1 27 27 GLY HA3 H 1 4.415 0.020 . . . . . . A 24 GLY HA3 . 30345 2 253 . 1 1 27 27 GLY C C 13 175.481 0.400 . . . . . . A 24 GLY C . 30345 2 254 . 1 1 27 27 GLY CA C 13 45.779 0.400 . . . . . . A 24 GLY CA . 30345 2 255 . 1 1 27 27 GLY N N 15 108.005 0.400 . . . . . . A 24 GLY N . 30345 2 256 . 1 1 28 28 THR H H 1 7.922 0.020 . . . . . . A 25 THR H . 30345 2 257 . 1 1 28 28 THR HA H 1 4.769 0.020 . . . . . . A 25 THR HA . 30345 2 258 . 1 1 28 28 THR HB H 1 4.032 0.020 . . . . . . A 25 THR HB . 30345 2 259 . 1 1 28 28 THR HG21 H 1 0.811 0.020 . . . . . . A 25 THR HG21 . 30345 2 260 . 1 1 28 28 THR HG22 H 1 0.811 0.020 . . . . . . A 25 THR HG22 . 30345 2 261 . 1 1 28 28 THR HG23 H 1 0.811 0.020 . . . . . . A 25 THR HG23 . 30345 2 262 . 1 1 28 28 THR C C 13 172.606 0.400 . . . . . . A 25 THR C . 30345 2 263 . 1 1 28 28 THR CA C 13 61.897 0.400 . . . . . . A 25 THR CA . 30345 2 264 . 1 1 28 28 THR CB C 13 70.978 0.400 . . . . . . A 25 THR CB . 30345 2 265 . 1 1 28 28 THR CG2 C 13 21.754 0.400 . . . . . . A 25 THR CG2 . 30345 2 266 . 1 1 28 28 THR N N 15 113.487 0.400 . . . . . . A 25 THR N . 30345 2 267 . 1 1 29 29 VAL H H 1 8.628 0.020 . . . . . . A 26 VAL H . 30345 2 268 . 1 1 29 29 VAL HA H 1 4.357 0.020 . . . . . . A 26 VAL HA . 30345 2 269 . 1 1 29 29 VAL HB H 1 1.478 0.020 . . . . . . A 26 VAL HB . 30345 2 270 . 1 1 29 29 VAL HG11 H 1 0.103 0.020 . . . . . . A 26 VAL HG11 . 30345 2 271 . 1 1 29 29 VAL HG12 H 1 0.103 0.020 . . . . . . A 26 VAL HG12 . 30345 2 272 . 1 1 29 29 VAL HG13 H 1 0.103 0.020 . . . . . . A 26 VAL HG13 . 30345 2 273 . 1 1 29 29 VAL HG21 H 1 0.518 0.020 . . . . . . A 26 VAL HG21 . 30345 2 274 . 1 1 29 29 VAL HG22 H 1 0.518 0.020 . . . . . . A 26 VAL HG22 . 30345 2 275 . 1 1 29 29 VAL HG23 H 1 0.518 0.020 . . . . . . A 26 VAL HG23 . 30345 2 276 . 1 1 29 29 VAL C C 13 175.356 0.400 . . . . . . A 26 VAL C . 30345 2 277 . 1 1 29 29 VAL CA C 13 61.282 0.400 . . . . . . A 26 VAL CA . 30345 2 278 . 1 1 29 29 VAL CB C 13 35.543 0.400 . . . . . . A 26 VAL CB . 30345 2 279 . 1 1 29 29 VAL CG1 C 13 21.648 0.400 . . . . . . A 26 VAL CG1 . 30345 2 280 . 1 1 29 29 VAL CG2 C 13 21.388 0.400 . . . . . . A 26 VAL CG2 . 30345 2 281 . 1 1 29 29 VAL N N 15 117.629 0.400 . . . . . . A 26 VAL N . 30345 2 282 . 1 1 30 30 LEU H H 1 8.605 0.020 . . . . . . A 27 LEU H . 30345 2 283 . 1 1 30 30 LEU HA H 1 4.571 0.020 . . . . . . A 27 LEU HA . 30345 2 284 . 1 1 30 30 LEU HB2 H 1 1.829 0.020 . . . . . . A 27 LEU HB2 . 30345 2 285 . 1 1 30 30 LEU HB3 H 1 1.989 0.020 . . . . . . A 27 LEU HB3 . 30345 2 286 . 1 1 30 30 LEU HG H 1 1.592 0.020 . . . . . . A 27 LEU HG . 30345 2 287 . 1 1 30 30 LEU HD11 H 1 0.862 0.020 . . . . . . A 27 LEU HD11 . 30345 2 288 . 1 1 30 30 LEU HD12 H 1 0.862 0.020 . . . . . . A 27 LEU HD12 . 30345 2 289 . 1 1 30 30 LEU HD13 H 1 0.862 0.020 . . . . . . A 27 LEU HD13 . 30345 2 290 . 1 1 30 30 LEU HD21 H 1 0.862 0.020 . . . . . . A 27 LEU HD21 . 30345 2 291 . 1 1 30 30 LEU HD22 H 1 0.862 0.020 . . . . . . A 27 LEU HD22 . 30345 2 292 . 1 1 30 30 LEU HD23 H 1 0.862 0.020 . . . . . . A 27 LEU HD23 . 30345 2 293 . 1 1 30 30 LEU C C 13 178.827 0.400 . . . . . . A 27 LEU C . 30345 2 294 . 1 1 30 30 LEU CA C 13 54.959 0.400 . . . . . . A 27 LEU CA . 30345 2 295 . 1 1 30 30 LEU CB C 13 41.053 0.400 . . . . . . A 27 LEU CB . 30345 2 296 . 1 1 30 30 LEU CG C 13 26.828 0.400 . . . . . . A 27 LEU CG . 30345 2 297 . 1 1 30 30 LEU CD1 C 13 22.900 0.400 . . . . . . A 27 LEU CD1 . 30345 2 298 . 1 1 30 30 LEU N N 15 125.888 0.400 . . . . . . A 27 LEU N . 30345 2 299 . 1 1 31 31 LEU H H 1 8.788 0.020 . . . . . . A 28 LEU H . 30345 2 300 . 1 1 31 31 LEU HA H 1 4.018 0.020 . . . . . . A 28 LEU HA . 30345 2 301 . 1 1 31 31 LEU HB2 H 1 1.129 0.020 . . . . . . A 28 LEU HB2 . 30345 2 302 . 1 1 31 31 LEU HB3 H 1 1.989 0.020 . . . . . . A 28 LEU HB3 . 30345 2 303 . 1 1 31 31 LEU HG H 1 1.765 0.020 . . . . . . A 28 LEU HG . 30345 2 304 . 1 1 31 31 LEU HD11 H 1 0.967 0.020 . . . . . . A 28 LEU HD11 . 30345 2 305 . 1 1 31 31 LEU HD12 H 1 0.967 0.020 . . . . . . A 28 LEU HD12 . 30345 2 306 . 1 1 31 31 LEU HD13 H 1 0.967 0.020 . . . . . . A 28 LEU HD13 . 30345 2 307 . 1 1 31 31 LEU HD21 H 1 0.701 0.020 . . . . . . A 28 LEU HD21 . 30345 2 308 . 1 1 31 31 LEU HD22 H 1 0.701 0.020 . . . . . . A 28 LEU HD22 . 30345 2 309 . 1 1 31 31 LEU HD23 H 1 0.701 0.020 . . . . . . A 28 LEU HD23 . 30345 2 310 . 1 1 31 31 LEU C C 13 178.610 0.400 . . . . . . A 28 LEU C . 30345 2 311 . 1 1 31 31 LEU CA C 13 58.356 0.400 . . . . . . A 28 LEU CA . 30345 2 312 . 1 1 31 31 LEU CB C 13 41.199 0.400 . . . . . . A 28 LEU CB . 30345 2 313 . 1 1 31 31 LEU CG C 13 26.650 0.400 . . . . . . A 28 LEU CG . 30345 2 314 . 1 1 31 31 LEU CD1 C 13 26.054 0.400 . . . . . . A 28 LEU CD1 . 30345 2 315 . 1 1 31 31 LEU CD2 C 13 21.716 0.400 . . . . . . A 28 LEU CD2 . 30345 2 316 . 1 1 31 31 LEU N N 15 125.578 0.400 . . . . . . A 28 LEU N . 30345 2 317 . 1 1 32 32 SER H H 1 8.841 0.020 . . . . . . A 29 SER H . 30345 2 318 . 1 1 32 32 SER HA H 1 4.381 0.020 . . . . . . A 29 SER HA . 30345 2 319 . 1 1 32 32 SER HB2 H 1 3.892 0.020 . . . . . . A 29 SER HB2 . 30345 2 320 . 1 1 32 32 SER HB3 H 1 3.991 0.020 . . . . . . A 29 SER HB3 . 30345 2 321 . 1 1 32 32 SER C C 13 176.851 0.400 . . . . . . A 29 SER C . 30345 2 322 . 1 1 32 32 SER CA C 13 60.766 0.400 . . . . . . A 29 SER CA . 30345 2 323 . 1 1 32 32 SER CB C 13 62.199 0.400 . . . . . . A 29 SER CB . 30345 2 324 . 1 1 32 32 SER N N 15 112.712 0.400 . . . . . . A 29 SER N . 30345 2 325 . 1 1 33 33 THR H H 1 7.439 0.020 . . . . . . A 30 THR H . 30345 2 326 . 1 1 33 33 THR HA H 1 4.097 0.020 . . . . . . A 30 THR HA . 30345 2 327 . 1 1 33 33 THR HB H 1 4.521 0.020 . . . . . . A 30 THR HB . 30345 2 328 . 1 1 33 33 THR HG21 H 1 1.417 0.020 . . . . . . A 30 THR HG21 . 30345 2 329 . 1 1 33 33 THR HG22 H 1 1.417 0.020 . . . . . . A 30 THR HG22 . 30345 2 330 . 1 1 33 33 THR HG23 H 1 1.417 0.020 . . . . . . A 30 THR HG23 . 30345 2 331 . 1 1 33 33 THR C C 13 176.508 0.400 . . . . . . A 30 THR C . 30345 2 332 . 1 1 33 33 THR CA C 13 66.411 0.400 . . . . . . A 30 THR CA . 30345 2 333 . 1 1 33 33 THR CB C 13 67.926 0.400 . . . . . . A 30 THR CB . 30345 2 334 . 1 1 33 33 THR CG2 C 13 24.923 0.400 . . . . . . A 30 THR CG2 . 30345 2 335 . 1 1 33 33 THR N N 15 120.885 0.400 . . . . . . A 30 THR N . 30345 2 336 . 1 1 34 34 VAL H H 1 7.486 0.020 . . . . . . A 31 VAL H . 30345 2 337 . 1 1 34 34 VAL HA H 1 3.682 0.020 . . . . . . A 31 VAL HA . 30345 2 338 . 1 1 34 34 VAL HB H 1 2.555 0.020 . . . . . . A 31 VAL HB . 30345 2 339 . 1 1 34 34 VAL HG11 H 1 0.812 0.020 . . . . . . A 31 VAL HG11 . 30345 2 340 . 1 1 34 34 VAL HG12 H 1 0.812 0.020 . . . . . . A 31 VAL HG12 . 30345 2 341 . 1 1 34 34 VAL HG13 H 1 0.812 0.020 . . . . . . A 31 VAL HG13 . 30345 2 342 . 1 1 34 34 VAL HG21 H 1 0.851 0.020 . . . . . . A 31 VAL HG21 . 30345 2 343 . 1 1 34 34 VAL HG22 H 1 0.851 0.020 . . . . . . A 31 VAL HG22 . 30345 2 344 . 1 1 34 34 VAL HG23 H 1 0.851 0.020 . . . . . . A 31 VAL HG23 . 30345 2 345 . 1 1 34 34 VAL C C 13 179.208 0.400 . . . . . . A 31 VAL C . 30345 2 346 . 1 1 34 34 VAL CA C 13 67.152 0.400 . . . . . . A 31 VAL CA . 30345 2 347 . 1 1 34 34 VAL CB C 13 31.846 0.400 . . . . . . A 31 VAL CB . 30345 2 348 . 1 1 34 34 VAL CG1 C 13 23.142 0.400 . . . . . . A 31 VAL CG1 . 30345 2 349 . 1 1 34 34 VAL CG2 C 13 21.488 0.400 . . . . . . A 31 VAL CG2 . 30345 2 350 . 1 1 34 34 VAL N N 15 121.599 0.400 . . . . . . A 31 VAL N . 30345 2 351 . 1 1 35 35 THR H H 1 9.634 0.020 . . . . . . A 32 THR H . 30345 2 352 . 1 1 35 35 THR HA H 1 4.175 0.020 . . . . . . A 32 THR HA . 30345 2 353 . 1 1 35 35 THR HB H 1 4.600 0.020 . . . . . . A 32 THR HB . 30345 2 354 . 1 1 35 35 THR HG21 H 1 1.404 0.020 . . . . . . A 32 THR HG21 . 30345 2 355 . 1 1 35 35 THR HG22 H 1 1.404 0.020 . . . . . . A 32 THR HG22 . 30345 2 356 . 1 1 35 35 THR HG23 H 1 1.404 0.020 . . . . . . A 32 THR HG23 . 30345 2 357 . 1 1 35 35 THR C C 13 176.020 0.400 . . . . . . A 32 THR C . 30345 2 358 . 1 1 35 35 THR CA C 13 64.371 0.400 . . . . . . A 32 THR CA . 30345 2 359 . 1 1 35 35 THR CB C 13 68.933 0.400 . . . . . . A 32 THR CB . 30345 2 360 . 1 1 35 35 THR CG2 C 13 23.351 0.400 . . . . . . A 32 THR CG2 . 30345 2 361 . 1 1 35 35 THR N N 15 113.342 0.400 . . . . . . A 32 THR N . 30345 2 362 . 1 1 36 36 ALA H H 1 7.221 0.020 . . . . . . A 33 ALA H . 30345 2 363 . 1 1 36 36 ALA HA H 1 4.167 0.020 . . . . . . A 33 ALA HA . 30345 2 364 . 1 1 36 36 ALA HB1 H 1 1.737 0.020 . . . . . . A 33 ALA HB1 . 30345 2 365 . 1 1 36 36 ALA HB2 H 1 1.737 0.020 . . . . . . A 33 ALA HB2 . 30345 2 366 . 1 1 36 36 ALA HB3 H 1 1.737 0.020 . . . . . . A 33 ALA HB3 . 30345 2 367 . 1 1 36 36 ALA C C 13 177.990 0.400 . . . . . . A 33 ALA C . 30345 2 368 . 1 1 36 36 ALA CA C 13 54.182 0.400 . . . . . . A 33 ALA CA . 30345 2 369 . 1 1 36 36 ALA CB C 13 19.484 0.400 . . . . . . A 33 ALA CB . 30345 2 370 . 1 1 36 36 ALA N N 15 122.578 0.400 . . . . . . A 33 ALA N . 30345 2 371 . 1 1 37 37 GLN H H 1 6.986 0.020 . . . . . . A 34 GLN H . 30345 2 372 . 1 1 37 37 GLN HA H 1 4.034 0.020 . . . . . . A 34 GLN HA . 30345 2 373 . 1 1 37 37 GLN HB2 H 1 1.701 0.020 . . . . . . A 34 GLN HB2 . 30345 2 374 . 1 1 37 37 GLN HB3 H 1 1.701 0.020 . . . . . . A 34 GLN HB3 . 30345 2 375 . 1 1 37 37 GLN HG2 H 1 1.915 0.020 . . . . . . A 34 GLN HG2 . 30345 2 376 . 1 1 37 37 GLN HG3 H 1 1.915 0.020 . . . . . . A 34 GLN HG3 . 30345 2 377 . 1 1 37 37 GLN HE21 H 1 7.717 0.020 . . . . . . A 34 GLN HE21 . 30345 2 378 . 1 1 37 37 GLN HE22 H 1 7.197 0.020 . . . . . . A 34 GLN HE22 . 30345 2 379 . 1 1 37 37 GLN C C 13 174.681 0.400 . . . . . . A 34 GLN C . 30345 2 380 . 1 1 37 37 GLN CA C 13 54.115 0.400 . . . . . . A 34 GLN CA . 30345 2 381 . 1 1 37 37 GLN CB C 13 29.101 0.400 . . . . . . A 34 GLN CB . 30345 2 382 . 1 1 37 37 GLN CG C 13 32.320 0.400 . . . . . . A 34 GLN CG . 30345 2 383 . 1 1 37 37 GLN N N 15 110.198 0.400 . . . . . . A 34 GLN N . 30345 2 384 . 1 1 37 37 GLN NE2 N 15 116.537 0.400 . . . . . . A 34 GLN NE2 . 30345 2 385 . 1 1 38 38 PHE H H 1 8.252 0.020 . . . . . . A 35 PHE H . 30345 2 386 . 1 1 38 38 PHE HA H 1 4.934 0.020 . . . . . . A 35 PHE HA . 30345 2 387 . 1 1 38 38 PHE HB2 H 1 3.204 0.020 . . . . . . A 35 PHE HB2 . 30345 2 388 . 1 1 38 38 PHE HB3 H 1 3.204 0.020 . . . . . . A 35 PHE HB3 . 30345 2 389 . 1 1 38 38 PHE HD1 H 1 7.046 0.020 . . . . . . A 35 PHE HD1 . 30345 2 390 . 1 1 38 38 PHE HD2 H 1 7.046 0.020 . . . . . . A 35 PHE HD2 . 30345 2 391 . 1 1 38 38 PHE HE1 H 1 7.188 0.020 . . . . . . A 35 PHE HE1 . 30345 2 392 . 1 1 38 38 PHE HE2 H 1 7.124 0.020 . . . . . . A 35 PHE HE2 . 30345 2 393 . 1 1 38 38 PHE HZ H 1 7.345 0.020 . . . . . . A 35 PHE HZ . 30345 2 394 . 1 1 38 38 PHE CA C 13 54.874 0.400 . . . . . . A 35 PHE CA . 30345 2 395 . 1 1 38 38 PHE CB C 13 39.520 0.400 . . . . . . A 35 PHE CB . 30345 2 396 . 1 1 38 38 PHE CD1 C 13 132.954 0.400 . . . . . . A 35 PHE CD1 . 30345 2 397 . 1 1 38 38 PHE CE1 C 13 132.758 0.400 . . . . . . A 35 PHE CE1 . 30345 2 398 . 1 1 38 38 PHE CE2 C 13 130.801 0.400 . . . . . . A 35 PHE CE2 . 30345 2 399 . 1 1 38 38 PHE CZ C 13 129.498 0.400 . . . . . . A 35 PHE CZ . 30345 2 400 . 1 1 38 38 PHE N N 15 116.971 0.400 . . . . . . A 35 PHE N . 30345 2 401 . 1 1 39 39 PRO HA H 1 4.542 0.020 . . . . . . A 36 PRO HA . 30345 2 402 . 1 1 39 39 PRO HB2 H 1 2.030 0.020 . . . . . . A 36 PRO HB2 . 30345 2 403 . 1 1 39 39 PRO HB3 H 1 2.385 0.020 . . . . . . A 36 PRO HB3 . 30345 2 404 . 1 1 39 39 PRO HG2 H 1 1.986 0.020 . . . . . . A 36 PRO HG2 . 30345 2 405 . 1 1 39 39 PRO HG3 H 1 1.986 0.020 . . . . . . A 36 PRO HG3 . 30345 2 406 . 1 1 39 39 PRO HD2 H 1 2.977 0.020 . . . . . . A 36 PRO HD2 . 30345 2 407 . 1 1 39 39 PRO HD3 H 1 3.682 0.020 . . . . . . A 36 PRO HD3 . 30345 2 408 . 1 1 39 39 PRO C C 13 178.367 0.400 . . . . . . A 36 PRO C . 30345 2 409 . 1 1 39 39 PRO CA C 13 64.411 0.400 . . . . . . A 36 PRO CA . 30345 2 410 . 1 1 39 39 PRO CB C 13 31.005 0.400 . . . . . . A 36 PRO CB . 30345 2 411 . 1 1 39 39 PRO CG C 13 28.484 0.400 . . . . . . A 36 PRO CG . 30345 2 412 . 1 1 39 39 PRO CD C 13 49.992 0.400 . . . . . . A 36 PRO CD . 30345 2 413 . 1 1 40 40 GLY H H 1 8.899 0.020 . . . . . . A 37 GLY H . 30345 2 414 . 1 1 40 40 GLY HA2 H 1 3.729 0.020 . . . . . . A 37 GLY HA2 . 30345 2 415 . 1 1 40 40 GLY HA3 H 1 4.513 0.020 . . . . . . A 37 GLY HA3 . 30345 2 416 . 1 1 40 40 GLY C C 13 174.797 0.400 . . . . . . A 37 GLY C . 30345 2 417 . 1 1 40 40 GLY CA C 13 44.841 0.400 . . . . . . A 37 GLY CA . 30345 2 418 . 1 1 40 40 GLY N N 15 111.626 0.400 . . . . . . A 37 GLY N . 30345 2 419 . 1 1 41 41 ALA H H 1 8.086 0.020 . . . . . . A 38 ALA H . 30345 2 420 . 1 1 41 41 ALA HA H 1 4.167 0.020 . . . . . . A 38 ALA HA . 30345 2 421 . 1 1 41 41 ALA HB1 H 1 1.298 0.020 . . . . . . A 38 ALA HB1 . 30345 2 422 . 1 1 41 41 ALA HB2 H 1 1.298 0.020 . . . . . . A 38 ALA HB2 . 30345 2 423 . 1 1 41 41 ALA HB3 H 1 1.298 0.020 . . . . . . A 38 ALA HB3 . 30345 2 424 . 1 1 41 41 ALA C C 13 177.193 0.400 . . . . . . A 38 ALA C . 30345 2 425 . 1 1 41 41 ALA CA C 13 53.230 0.400 . . . . . . A 38 ALA CA . 30345 2 426 . 1 1 41 41 ALA CB C 13 19.998 0.400 . . . . . . A 38 ALA CB . 30345 2 427 . 1 1 41 41 ALA N N 15 122.608 0.400 . . . . . . A 38 ALA N . 30345 2 428 . 1 1 42 42 CYS H H 1 9.084 0.020 . . . . . . A 39 CYS H . 30345 2 429 . 1 1 42 42 CYS HA H 1 5.021 0.020 . . . . . . A 39 CYS HA . 30345 2 430 . 1 1 42 42 CYS HB2 H 1 3.347 0.020 . . . . . . A 39 CYS HB2 . 30345 2 431 . 1 1 42 42 CYS HB3 H 1 2.580 0.020 . . . . . . A 39 CYS HB3 . 30345 2 432 . 1 1 42 42 CYS C C 13 173.833 0.400 . . . . . . A 39 CYS C . 30345 2 433 . 1 1 42 42 CYS CA C 13 55.767 0.400 . . . . . . A 39 CYS CA . 30345 2 434 . 1 1 42 42 CYS CB C 13 30.247 0.400 . . . . . . A 39 CYS CB . 30345 2 435 . 1 1 42 42 CYS N N 15 112.543 0.400 . . . . . . A 39 CYS N . 30345 2 436 . 1 1 43 43 GLY H H 1 7.441 0.020 . . . . . . A 40 GLY H . 30345 2 437 . 1 1 43 43 GLY HA2 H 1 3.716 0.020 . . . . . . A 40 GLY HA2 . 30345 2 438 . 1 1 43 43 GLY HA3 H 1 4.403 0.020 . . . . . . A 40 GLY HA3 . 30345 2 439 . 1 1 43 43 GLY C C 13 170.674 0.400 . . . . . . A 40 GLY C . 30345 2 440 . 1 1 43 43 GLY CA C 13 45.050 0.400 . . . . . . A 40 GLY CA . 30345 2 441 . 1 1 43 43 GLY N N 15 107.481 0.400 . . . . . . A 40 GLY N . 30345 2 442 . 1 1 44 44 LEU H H 1 8.992 0.020 . . . . . . A 41 LEU H . 30345 2 443 . 1 1 44 44 LEU HA H 1 5.357 0.020 . . . . . . A 41 LEU HA . 30345 2 444 . 1 1 44 44 LEU HB2 H 1 1.561 0.020 . . . . . . A 41 LEU HB2 . 30345 2 445 . 1 1 44 44 LEU HB3 H 1 1.638 0.020 . . . . . . A 41 LEU HB3 . 30345 2 446 . 1 1 44 44 LEU HG H 1 1.459 0.020 . . . . . . A 41 LEU HG . 30345 2 447 . 1 1 44 44 LEU HD11 H 1 0.847 0.020 . . . . . . A 41 LEU HD11 . 30345 2 448 . 1 1 44 44 LEU HD12 H 1 0.847 0.020 . . . . . . A 41 LEU HD12 . 30345 2 449 . 1 1 44 44 LEU HD13 H 1 0.847 0.020 . . . . . . A 41 LEU HD13 . 30345 2 450 . 1 1 44 44 LEU HD21 H 1 0.608 0.020 . . . . . . A 41 LEU HD21 . 30345 2 451 . 1 1 44 44 LEU HD22 H 1 0.608 0.020 . . . . . . A 41 LEU HD22 . 30345 2 452 . 1 1 44 44 LEU HD23 H 1 0.608 0.020 . . . . . . A 41 LEU HD23 . 30345 2 453 . 1 1 44 44 LEU C C 13 175.522 0.400 . . . . . . A 41 LEU C . 30345 2 454 . 1 1 44 44 LEU CA C 13 53.635 0.400 . . . . . . A 41 LEU CA . 30345 2 455 . 1 1 44 44 LEU CB C 13 48.575 0.400 . . . . . . A 41 LEU CB . 30345 2 456 . 1 1 44 44 LEU CG C 13 26.911 0.400 . . . . . . A 41 LEU CG . 30345 2 457 . 1 1 44 44 LEU CD1 C 13 24.623 0.400 . . . . . . A 41 LEU CD1 . 30345 2 458 . 1 1 44 44 LEU CD2 C 13 26.615 0.400 . . . . . . A 41 LEU CD2 . 30345 2 459 . 1 1 44 44 LEU N N 15 118.237 0.400 . . . . . . A 41 LEU N . 30345 2 460 . 1 1 45 45 ARG H H 1 9.610 0.020 . . . . . . A 42 ARG H . 30345 2 461 . 1 1 45 45 ARG HA H 1 5.689 0.020 . . . . . . A 42 ARG HA . 30345 2 462 . 1 1 45 45 ARG HB2 H 1 1.666 0.020 . . . . . . A 42 ARG HB2 . 30345 2 463 . 1 1 45 45 ARG HB3 H 1 1.783 0.020 . . . . . . A 42 ARG HB3 . 30345 2 464 . 1 1 45 45 ARG HG2 H 1 1.204 0.020 . . . . . . A 42 ARG HG2 . 30345 2 465 . 1 1 45 45 ARG HG3 H 1 1.273 0.020 . . . . . . A 42 ARG HG3 . 30345 2 466 . 1 1 45 45 ARG HD2 H 1 2.891 0.020 . . . . . . A 42 ARG HD2 . 30345 2 467 . 1 1 45 45 ARG HD3 H 1 3.069 0.020 . . . . . . A 42 ARG HD3 . 30345 2 468 . 1 1 45 45 ARG C C 13 173.672 0.400 . . . . . . A 42 ARG C . 30345 2 469 . 1 1 45 45 ARG CA C 13 54.351 0.400 . . . . . . A 42 ARG CA . 30345 2 470 . 1 1 45 45 ARG CB C 13 34.552 0.400 . . . . . . A 42 ARG CB . 30345 2 471 . 1 1 45 45 ARG CG C 13 26.712 0.400 . . . . . . A 42 ARG CG . 30345 2 472 . 1 1 45 45 ARG CD C 13 43.758 0.400 . . . . . . A 42 ARG CD . 30345 2 473 . 1 1 45 45 ARG N N 15 120.114 0.400 . . . . . . A 42 ARG N . 30345 2 474 . 1 1 46 46 TYR H H 1 9.007 0.020 . . . . . . A 43 TYR H . 30345 2 475 . 1 1 46 46 TYR HA H 1 4.887 0.020 . . . . . . A 43 TYR HA . 30345 2 476 . 1 1 46 46 TYR HB2 H 1 2.420 0.020 . . . . . . A 43 TYR HB2 . 30345 2 477 . 1 1 46 46 TYR HB3 H 1 3.046 0.020 . . . . . . A 43 TYR HB3 . 30345 2 478 . 1 1 46 46 TYR HD1 H 1 6.802 0.020 . . . . . . A 43 TYR HD1 . 30345 2 479 . 1 1 46 46 TYR HD2 H 1 6.802 0.020 . . . . . . A 43 TYR HD2 . 30345 2 480 . 1 1 46 46 TYR HE1 H 1 6.590 0.020 . . . . . . A 43 TYR HE1 . 30345 2 481 . 1 1 46 46 TYR HE2 H 1 6.590 0.020 . . . . . . A 43 TYR HE2 . 30345 2 482 . 1 1 46 46 TYR C C 13 172.284 0.400 . . . . . . A 43 TYR C . 30345 2 483 . 1 1 46 46 TYR CA C 13 56.145 0.400 . . . . . . A 43 TYR CA . 30345 2 484 . 1 1 46 46 TYR CB C 13 40.994 0.400 . . . . . . A 43 TYR CB . 30345 2 485 . 1 1 46 46 TYR CD1 C 13 134.275 0.400 . . . . . . A 43 TYR CD1 . 30345 2 486 . 1 1 46 46 TYR CE1 C 13 116.763 0.400 . . . . . . A 43 TYR CE1 . 30345 2 487 . 1 1 46 46 TYR N N 15 115.723 0.400 . . . . . . A 43 TYR N . 30345 2 488 . 1 1 47 47 ARG H H 1 8.916 0.020 . . . . . . A 44 ARG H . 30345 2 489 . 1 1 47 47 ARG HA H 1 4.439 0.020 . . . . . . A 44 ARG HA . 30345 2 490 . 1 1 47 47 ARG HB2 H 1 1.757 0.020 . . . . . . A 44 ARG HB2 . 30345 2 491 . 1 1 47 47 ARG HB3 H 1 1.582 0.020 . . . . . . A 44 ARG HB3 . 30345 2 492 . 1 1 47 47 ARG HG2 H 1 1.239 0.020 . . . . . . A 44 ARG HG2 . 30345 2 493 . 1 1 47 47 ARG HG3 H 1 1.239 0.020 . . . . . . A 44 ARG HG3 . 30345 2 494 . 1 1 47 47 ARG HD2 H 1 3.049 0.020 . . . . . . A 44 ARG HD2 . 30345 2 495 . 1 1 47 47 ARG HD3 H 1 3.049 0.020 . . . . . . A 44 ARG HD3 . 30345 2 496 . 1 1 47 47 ARG C C 13 175.565 0.400 . . . . . . A 44 ARG C . 30345 2 497 . 1 1 47 47 ARG CA C 13 54.953 0.400 . . . . . . A 44 ARG CA . 30345 2 498 . 1 1 47 47 ARG CB C 13 31.333 0.400 . . . . . . A 44 ARG CB . 30345 2 499 . 1 1 47 47 ARG CG C 13 27.510 0.400 . . . . . . A 44 ARG CG . 30345 2 500 . 1 1 47 47 ARG CD C 13 43.248 0.400 . . . . . . A 44 ARG CD . 30345 2 501 . 1 1 47 47 ARG N N 15 121.218 0.400 . . . . . . A 44 ARG N . 30345 2 502 . 1 1 48 48 ASN H H 1 8.882 0.020 . . . . . . A 45 ASN H . 30345 2 503 . 1 1 48 48 ASN HA H 1 4.992 0.020 . . . . . . A 45 ASN HA . 30345 2 504 . 1 1 48 48 ASN HB2 H 1 2.457 0.020 . . . . . . A 45 ASN HB2 . 30345 2 505 . 1 1 48 48 ASN HB3 H 1 3.213 0.020 . . . . . . A 45 ASN HB3 . 30345 2 506 . 1 1 48 48 ASN HD21 H 1 7.715 0.020 . . . . . . A 45 ASN HD21 . 30345 2 507 . 1 1 48 48 ASN HD22 H 1 7.398 0.020 . . . . . . A 45 ASN HD22 . 30345 2 508 . 1 1 48 48 ASN CA C 13 50.867 0.400 . . . . . . A 45 ASN CA . 30345 2 509 . 1 1 48 48 ASN CB C 13 39.344 0.400 . . . . . . A 45 ASN CB . 30345 2 510 . 1 1 48 48 ASN N N 15 127.730 0.400 . . . . . . A 45 ASN N . 30345 2 511 . 1 1 48 48 ASN ND2 N 15 114.227 0.400 . . . . . . A 45 ASN ND2 . 30345 2 512 . 1 1 49 49 PRO HA H 1 4.321 0.020 . . . . . . A 46 PRO HA . 30345 2 513 . 1 1 49 49 PRO HB2 H 1 2.065 0.020 . . . . . . A 46 PRO HB2 . 30345 2 514 . 1 1 49 49 PRO HB3 H 1 2.389 0.020 . . . . . . A 46 PRO HB3 . 30345 2 515 . 1 1 49 49 PRO HG2 H 1 2.124 0.020 . . . . . . A 46 PRO HG2 . 30345 2 516 . 1 1 49 49 PRO HG3 H 1 2.103 0.020 . . . . . . A 46 PRO HG3 . 30345 2 517 . 1 1 49 49 PRO HD2 H 1 3.884 0.020 . . . . . . A 46 PRO HD2 . 30345 2 518 . 1 1 49 49 PRO HD3 H 1 4.190 0.020 . . . . . . A 46 PRO HD3 . 30345 2 519 . 1 1 49 49 PRO C C 13 177.614 0.400 . . . . . . A 46 PRO C . 30345 2 520 . 1 1 49 49 PRO CA C 13 64.852 0.400 . . . . . . A 46 PRO CA . 30345 2 521 . 1 1 49 49 PRO CB C 13 32.237 0.400 . . . . . . A 46 PRO CB . 30345 2 522 . 1 1 49 49 PRO CG C 13 27.446 0.400 . . . . . . A 46 PRO CG . 30345 2 523 . 1 1 49 49 PRO CD C 13 51.114 0.400 . . . . . . A 46 PRO CD . 30345 2 524 . 1 1 50 50 VAL H H 1 7.652 0.020 . . . . . . A 47 VAL H . 30345 2 525 . 1 1 50 50 VAL HA H 1 4.013 0.020 . . . . . . A 47 VAL HA . 30345 2 526 . 1 1 50 50 VAL HB H 1 2.261 0.020 . . . . . . A 47 VAL HB . 30345 2 527 . 1 1 50 50 VAL HG11 H 1 0.993 0.020 . . . . . . A 47 VAL HG11 . 30345 2 528 . 1 1 50 50 VAL HG12 H 1 0.993 0.020 . . . . . . A 47 VAL HG12 . 30345 2 529 . 1 1 50 50 VAL HG13 H 1 0.993 0.020 . . . . . . A 47 VAL HG13 . 30345 2 530 . 1 1 50 50 VAL HG21 H 1 0.902 0.020 . . . . . . A 47 VAL HG21 . 30345 2 531 . 1 1 50 50 VAL HG22 H 1 0.902 0.020 . . . . . . A 47 VAL HG22 . 30345 2 532 . 1 1 50 50 VAL HG23 H 1 0.902 0.020 . . . . . . A 47 VAL HG23 . 30345 2 533 . 1 1 50 50 VAL C C 13 176.934 0.400 . . . . . . A 47 VAL C . 30345 2 534 . 1 1 50 50 VAL CA C 13 64.141 0.400 . . . . . . A 47 VAL CA . 30345 2 535 . 1 1 50 50 VAL CB C 13 31.896 0.400 . . . . . . A 47 VAL CB . 30345 2 536 . 1 1 50 50 VAL CG1 C 13 21.146 0.400 . . . . . . A 47 VAL CG1 . 30345 2 537 . 1 1 50 50 VAL CG2 C 13 21.102 0.400 . . . . . . A 47 VAL CG2 . 30345 2 538 . 1 1 50 50 VAL N N 15 115.534 0.400 . . . . . . A 47 VAL N . 30345 2 539 . 1 1 51 51 GLU H H 1 7.768 0.020 . . . . . . A 48 GLU H . 30345 2 540 . 1 1 51 51 GLU HA H 1 4.370 0.020 . . . . . . A 48 GLU HA . 30345 2 541 . 1 1 51 51 GLU HB2 H 1 1.899 0.020 . . . . . . A 48 GLU HB2 . 30345 2 542 . 1 1 51 51 GLU HB3 H 1 2.208 0.020 . . . . . . A 48 GLU HB3 . 30345 2 543 . 1 1 51 51 GLU HG2 H 1 2.236 0.020 . . . . . . A 48 GLU HG2 . 30345 2 544 . 1 1 51 51 GLU HG3 H 1 2.236 0.020 . . . . . . A 48 GLU HG3 . 30345 2 545 . 1 1 51 51 GLU C C 13 176.008 0.400 . . . . . . A 48 GLU C . 30345 2 546 . 1 1 51 51 GLU CA C 13 56.206 0.400 . . . . . . A 48 GLU CA . 30345 2 547 . 1 1 51 51 GLU CB C 13 31.800 0.400 . . . . . . A 48 GLU CB . 30345 2 548 . 1 1 51 51 GLU CG C 13 37.006 0.400 . . . . . . A 48 GLU CG . 30345 2 549 . 1 1 51 51 GLU N N 15 118.458 0.400 . . . . . . A 48 GLU N . 30345 2 550 . 1 1 52 52 GLN H H 1 8.338 0.020 . . . . . . A 49 GLN H . 30345 2 551 . 1 1 52 52 GLN HA H 1 3.965 0.020 . . . . . . A 49 GLN HA . 30345 2 552 . 1 1 52 52 GLN HB2 H 1 2.192 0.020 . . . . . . A 49 GLN HB2 . 30345 2 553 . 1 1 52 52 GLN HB3 H 1 2.063 0.020 . . . . . . A 49 GLN HB3 . 30345 2 554 . 1 1 52 52 GLN HG2 H 1 2.227 0.020 . . . . . . A 49 GLN HG2 . 30345 2 555 . 1 1 52 52 GLN HG3 H 1 2.297 0.020 . . . . . . A 49 GLN HG3 . 30345 2 556 . 1 1 52 52 GLN HE21 H 1 7.525 0.020 . . . . . . A 49 GLN HE21 . 30345 2 557 . 1 1 52 52 GLN HE22 H 1 6.816 0.020 . . . . . . A 49 GLN HE22 . 30345 2 558 . 1 1 52 52 GLN C C 13 174.885 0.400 . . . . . . A 49 GLN C . 30345 2 559 . 1 1 52 52 GLN CA C 13 56.586 0.400 . . . . . . A 49 GLN CA . 30345 2 560 . 1 1 52 52 GLN CB C 13 27.087 0.400 . . . . . . A 49 GLN CB . 30345 2 561 . 1 1 52 52 GLN CG C 13 33.864 0.400 . . . . . . A 49 GLN CG . 30345 2 562 . 1 1 52 52 GLN N N 15 114.541 0.400 . . . . . . A 49 GLN N . 30345 2 563 . 1 1 52 52 GLN NE2 N 15 112.725 0.400 . . . . . . A 49 GLN NE2 . 30345 2 564 . 1 1 53 53 CYS H H 1 7.411 0.020 . . . . . . A 50 CYS H . 30345 2 565 . 1 1 53 53 CYS HA H 1 4.762 0.020 . . . . . . A 50 CYS HA . 30345 2 566 . 1 1 53 53 CYS HB2 H 1 2.971 0.020 . . . . . . A 50 CYS HB2 . 30345 2 567 . 1 1 53 53 CYS HB3 H 1 2.859 0.020 . . . . . . A 50 CYS HB3 . 30345 2 568 . 1 1 53 53 CYS C C 13 173.016 0.400 . . . . . . A 50 CYS C . 30345 2 569 . 1 1 53 53 CYS CA C 13 55.629 0.400 . . . . . . A 50 CYS CA . 30345 2 570 . 1 1 53 53 CYS CB C 13 30.287 0.400 . . . . . . A 50 CYS CB . 30345 2 571 . 1 1 53 53 CYS N N 15 113.178 0.400 . . . . . . A 50 CYS N . 30345 2 572 . 1 1 54 54 MET H H 1 8.596 0.020 . . . . . . A 51 MET H . 30345 2 573 . 1 1 54 54 MET HA H 1 4.882 0.020 . . . . . . A 51 MET HA . 30345 2 574 . 1 1 54 54 MET HB2 H 1 2.609 0.020 . . . . . . A 51 MET HB2 . 30345 2 575 . 1 1 54 54 MET HB3 H 1 2.390 0.020 . . . . . . A 51 MET HB3 . 30345 2 576 . 1 1 54 54 MET HG2 H 1 1.669 0.020 . . . . . . A 51 MET HG2 . 30345 2 577 . 1 1 54 54 MET HG3 H 1 1.669 0.020 . . . . . . A 51 MET HG3 . 30345 2 578 . 1 1 54 54 MET HE1 H 1 1.866 0.020 . . . . . . A 51 MET HE1 . 30345 2 579 . 1 1 54 54 MET HE2 H 1 1.866 0.020 . . . . . . A 51 MET HE2 . 30345 2 580 . 1 1 54 54 MET HE3 H 1 1.866 0.020 . . . . . . A 51 MET HE3 . 30345 2 581 . 1 1 54 54 MET C C 13 176.265 0.400 . . . . . . A 51 MET C . 30345 2 582 . 1 1 54 54 MET CA C 13 54.315 0.400 . . . . . . A 51 MET CA . 30345 2 583 . 1 1 54 54 MET CB C 13 32.371 0.400 . . . . . . A 51 MET CB . 30345 2 584 . 1 1 54 54 MET CG C 13 32.352 0.400 . . . . . . A 51 MET CG . 30345 2 585 . 1 1 54 54 MET CE C 13 16.374 0.400 . . . . . . A 51 MET CE . 30345 2 586 . 1 1 54 54 MET N N 15 120.445 0.400 . . . . . . A 51 MET N . 30345 2 587 . 1 1 55 55 ARG H H 1 8.976 0.020 . . . . . . A 52 ARG H . 30345 2 588 . 1 1 55 55 ARG HA H 1 4.473 0.020 . . . . . . A 52 ARG HA . 30345 2 589 . 1 1 55 55 ARG HB2 H 1 0.919 0.020 . . . . . . A 52 ARG HB2 . 30345 2 590 . 1 1 55 55 ARG HB3 H 1 1.551 0.020 . . . . . . A 52 ARG HB3 . 30345 2 591 . 1 1 55 55 ARG HG2 H 1 1.516 0.020 . . . . . . A 52 ARG HG2 . 30345 2 592 . 1 1 55 55 ARG HG3 H 1 1.516 0.020 . . . . . . A 52 ARG HG3 . 30345 2 593 . 1 1 55 55 ARG HD2 H 1 3.277 0.020 . . . . . . A 52 ARG HD2 . 30345 2 594 . 1 1 55 55 ARG HD3 H 1 3.277 0.020 . . . . . . A 52 ARG HD3 . 30345 2 595 . 1 1 55 55 ARG C C 13 174.804 0.400 . . . . . . A 52 ARG C . 30345 2 596 . 1 1 55 55 ARG CA C 13 53.660 0.400 . . . . . . A 52 ARG CA . 30345 2 597 . 1 1 55 55 ARG CB C 13 33.716 0.400 . . . . . . A 52 ARG CB . 30345 2 598 . 1 1 55 55 ARG CG C 13 26.949 0.400 . . . . . . A 52 ARG CG . 30345 2 599 . 1 1 55 55 ARG CD C 13 43.176 0.400 . . . . . . A 52 ARG CD . 30345 2 600 . 1 1 55 55 ARG N N 15 123.469 0.400 . . . . . . A 52 ARG N . 30345 2 601 . 1 1 56 56 GLY H H 1 8.492 0.020 . . . . . . A 53 GLY H . 30345 2 602 . 1 1 56 56 GLY HA2 H 1 3.722 0.020 . . . . . . A 53 GLY HA2 . 30345 2 603 . 1 1 56 56 GLY HA3 H 1 4.708 0.020 . . . . . . A 53 GLY HA3 . 30345 2 604 . 1 1 56 56 GLY C C 13 174.672 0.400 . . . . . . A 53 GLY C . 30345 2 605 . 1 1 56 56 GLY CA C 13 44.694 0.400 . . . . . . A 53 GLY CA . 30345 2 606 . 1 1 56 56 GLY N N 15 106.343 0.400 . . . . . . A 53 GLY N . 30345 2 607 . 1 1 57 57 VAL H H 1 8.314 0.020 . . . . . . A 54 VAL H . 30345 2 608 . 1 1 57 57 VAL HA H 1 4.236 0.020 . . . . . . A 54 VAL HA . 30345 2 609 . 1 1 57 57 VAL HB H 1 2.031 0.020 . . . . . . A 54 VAL HB . 30345 2 610 . 1 1 57 57 VAL HG11 H 1 1.218 0.020 . . . . . . A 54 VAL HG11 . 30345 2 611 . 1 1 57 57 VAL HG12 H 1 1.218 0.020 . . . . . . A 54 VAL HG12 . 30345 2 612 . 1 1 57 57 VAL HG13 H 1 1.218 0.020 . . . . . . A 54 VAL HG13 . 30345 2 613 . 1 1 57 57 VAL HG21 H 1 1.243 0.020 . . . . . . A 54 VAL HG21 . 30345 2 614 . 1 1 57 57 VAL HG22 H 1 1.243 0.020 . . . . . . A 54 VAL HG22 . 30345 2 615 . 1 1 57 57 VAL HG23 H 1 1.243 0.020 . . . . . . A 54 VAL HG23 . 30345 2 616 . 1 1 57 57 VAL C C 13 176.222 0.400 . . . . . . A 54 VAL C . 30345 2 617 . 1 1 57 57 VAL CA C 13 62.301 0.400 . . . . . . A 54 VAL CA . 30345 2 618 . 1 1 57 57 VAL CB C 13 32.683 0.400 . . . . . . A 54 VAL CB . 30345 2 619 . 1 1 57 57 VAL CG1 C 13 24.974 0.400 . . . . . . A 54 VAL CG1 . 30345 2 620 . 1 1 57 57 VAL CG2 C 13 23.404 0.400 . . . . . . A 54 VAL CG2 . 30345 2 621 . 1 1 57 57 VAL N N 15 124.325 0.400 . . . . . . A 54 VAL N . 30345 2 622 . 1 1 58 58 ARG H H 1 9.421 0.020 . . . . . . A 55 ARG H . 30345 2 623 . 1 1 58 58 ARG HA H 1 4.075 0.020 . . . . . . A 55 ARG HA . 30345 2 624 . 1 1 58 58 ARG HB2 H 1 1.796 0.020 . . . . . . A 55 ARG HB2 . 30345 2 625 . 1 1 58 58 ARG HB3 H 1 1.796 0.020 . . . . . . A 55 ARG HB3 . 30345 2 626 . 1 1 58 58 ARG HG2 H 1 1.372 0.020 . . . . . . A 55 ARG HG2 . 30345 2 627 . 1 1 58 58 ARG HG3 H 1 1.372 0.020 . . . . . . A 55 ARG HG3 . 30345 2 628 . 1 1 58 58 ARG HD2 H 1 2.990 0.020 . . . . . . A 55 ARG HD2 . 30345 2 629 . 1 1 58 58 ARG HD3 H 1 3.078 0.020 . . . . . . A 55 ARG HD3 . 30345 2 630 . 1 1 58 58 ARG C C 13 173.322 0.400 . . . . . . A 55 ARG C . 30345 2 631 . 1 1 58 58 ARG CA C 13 58.393 0.400 . . . . . . A 55 ARG CA . 30345 2 632 . 1 1 58 58 ARG CB C 13 30.938 0.400 . . . . . . A 55 ARG CB . 30345 2 633 . 1 1 58 58 ARG CG C 13 27.738 0.400 . . . . . . A 55 ARG CG . 30345 2 634 . 1 1 58 58 ARG CD C 13 43.281 0.400 . . . . . . A 55 ARG CD . 30345 2 635 . 1 1 58 58 ARG N N 15 131.938 0.400 . . . . . . A 55 ARG N . 30345 2 636 . 1 1 59 59 LEU H H 1 8.267 0.020 . . . . . . A 56 LEU H . 30345 2 637 . 1 1 59 59 LEU HA H 1 5.338 0.020 . . . . . . A 56 LEU HA . 30345 2 638 . 1 1 59 59 LEU HB2 H 1 1.508 0.020 . . . . . . A 56 LEU HB2 . 30345 2 639 . 1 1 59 59 LEU HB3 H 1 1.964 0.020 . . . . . . A 56 LEU HB3 . 30345 2 640 . 1 1 59 59 LEU HG H 1 1.474 0.020 . . . . . . A 56 LEU HG . 30345 2 641 . 1 1 59 59 LEU HD11 H 1 0.761 0.020 . . . . . . A 56 LEU HD11 . 30345 2 642 . 1 1 59 59 LEU HD12 H 1 0.761 0.020 . . . . . . A 56 LEU HD12 . 30345 2 643 . 1 1 59 59 LEU HD13 H 1 0.761 0.020 . . . . . . A 56 LEU HD13 . 30345 2 644 . 1 1 59 59 LEU HD21 H 1 1.033 0.020 . . . . . . A 56 LEU HD21 . 30345 2 645 . 1 1 59 59 LEU HD22 H 1 1.033 0.020 . . . . . . A 56 LEU HD22 . 30345 2 646 . 1 1 59 59 LEU HD23 H 1 1.033 0.020 . . . . . . A 56 LEU HD23 . 30345 2 647 . 1 1 59 59 LEU C C 13 176.169 0.400 . . . . . . A 56 LEU C . 30345 2 648 . 1 1 59 59 LEU CA C 13 53.650 0.400 . . . . . . A 56 LEU CA . 30345 2 649 . 1 1 59 59 LEU CB C 13 44.209 0.400 . . . . . . A 56 LEU CB . 30345 2 650 . 1 1 59 59 LEU CG C 13 27.875 0.400 . . . . . . A 56 LEU CG . 30345 2 651 . 1 1 59 59 LEU CD1 C 13 23.873 0.400 . . . . . . A 56 LEU CD1 . 30345 2 652 . 1 1 59 59 LEU CD2 C 13 27.305 0.400 . . . . . . A 56 LEU CD2 . 30345 2 653 . 1 1 59 59 LEU N N 15 129.947 0.400 . . . . . . A 56 LEU N . 30345 2 654 . 1 1 60 60 VAL H H 1 9.256 0.020 . . . . . . A 57 VAL H . 30345 2 655 . 1 1 60 60 VAL HA H 1 4.355 0.020 . . . . . . A 57 VAL HA . 30345 2 656 . 1 1 60 60 VAL HB H 1 2.089 0.020 . . . . . . A 57 VAL HB . 30345 2 657 . 1 1 60 60 VAL HG11 H 1 0.960 0.020 . . . . . . A 57 VAL HG11 . 30345 2 658 . 1 1 60 60 VAL HG12 H 1 0.960 0.020 . . . . . . A 57 VAL HG12 . 30345 2 659 . 1 1 60 60 VAL HG13 H 1 0.960 0.020 . . . . . . A 57 VAL HG13 . 30345 2 660 . 1 1 60 60 VAL HG21 H 1 0.849 0.020 . . . . . . A 57 VAL HG21 . 30345 2 661 . 1 1 60 60 VAL HG22 H 1 0.849 0.020 . . . . . . A 57 VAL HG22 . 30345 2 662 . 1 1 60 60 VAL HG23 H 1 0.849 0.020 . . . . . . A 57 VAL HG23 . 30345 2 663 . 1 1 60 60 VAL C C 13 176.008 0.400 . . . . . . A 57 VAL C . 30345 2 664 . 1 1 60 60 VAL CA C 13 61.435 0.400 . . . . . . A 57 VAL CA . 30345 2 665 . 1 1 60 60 VAL CB C 13 34.870 0.400 . . . . . . A 57 VAL CB . 30345 2 666 . 1 1 60 60 VAL CG1 C 13 21.104 0.400 . . . . . . A 57 VAL CG1 . 30345 2 667 . 1 1 60 60 VAL CG2 C 13 20.449 0.400 . . . . . . A 57 VAL CG2 . 30345 2 668 . 1 1 60 60 VAL N N 15 127.775 0.400 . . . . . . A 57 VAL N . 30345 2 669 . 1 1 61 61 GLU H H 1 9.587 0.020 . . . . . . A 58 GLU H . 30345 2 670 . 1 1 61 61 GLU HA H 1 3.904 0.020 . . . . . . A 58 GLU HA . 30345 2 671 . 1 1 61 61 GLU HB2 H 1 2.256 0.020 . . . . . . A 58 GLU HB2 . 30345 2 672 . 1 1 61 61 GLU HB3 H 1 2.041 0.020 . . . . . . A 58 GLU HB3 . 30345 2 673 . 1 1 61 61 GLU HG2 H 1 2.322 0.020 . . . . . . A 58 GLU HG2 . 30345 2 674 . 1 1 61 61 GLU HG3 H 1 2.322 0.020 . . . . . . A 58 GLU HG3 . 30345 2 675 . 1 1 61 61 GLU C C 13 176.037 0.400 . . . . . . A 58 GLU C . 30345 2 676 . 1 1 61 61 GLU CA C 13 57.200 0.400 . . . . . . A 58 GLU CA . 30345 2 677 . 1 1 61 61 GLU CB C 13 27.797 0.400 . . . . . . A 58 GLU CB . 30345 2 678 . 1 1 61 61 GLU CG C 13 36.351 0.400 . . . . . . A 58 GLU CG . 30345 2 679 . 1 1 61 61 GLU N N 15 128.214 0.400 . . . . . . A 58 GLU N . 30345 2 680 . 1 1 62 62 GLY H H 1 8.386 0.020 . . . . . . A 59 GLY H . 30345 2 681 . 1 1 62 62 GLY HA2 H 1 3.614 0.020 . . . . . . A 59 GLY HA2 . 30345 2 682 . 1 1 62 62 GLY HA3 H 1 4.251 0.020 . . . . . . A 59 GLY HA3 . 30345 2 683 . 1 1 62 62 GLY C C 13 173.267 0.400 . . . . . . A 59 GLY C . 30345 2 684 . 1 1 62 62 GLY CA C 13 46.011 0.400 . . . . . . A 59 GLY CA . 30345 2 685 . 1 1 62 62 GLY N N 15 102.732 0.400 . . . . . . A 59 GLY N . 30345 2 686 . 1 1 63 63 ILE H H 1 8.202 0.020 . . . . . . A 60 ILE H . 30345 2 687 . 1 1 63 63 ILE HA H 1 4.271 0.020 . . . . . . A 60 ILE HA . 30345 2 688 . 1 1 63 63 ILE HB H 1 2.207 0.020 . . . . . . A 60 ILE HB . 30345 2 689 . 1 1 63 63 ILE HG12 H 1 1.039 0.020 . . . . . . A 60 ILE HG12 . 30345 2 690 . 1 1 63 63 ILE HG13 H 1 1.557 0.020 . . . . . . A 60 ILE HG13 . 30345 2 691 . 1 1 63 63 ILE HG21 H 1 0.569 0.020 . . . . . . A 60 ILE HG21 . 30345 2 692 . 1 1 63 63 ILE HG22 H 1 0.569 0.020 . . . . . . A 60 ILE HG22 . 30345 2 693 . 1 1 63 63 ILE HG23 H 1 0.569 0.020 . . . . . . A 60 ILE HG23 . 30345 2 694 . 1 1 63 63 ILE HD11 H 1 0.861 0.020 . . . . . . A 60 ILE HD11 . 30345 2 695 . 1 1 63 63 ILE HD12 H 1 0.861 0.020 . . . . . . A 60 ILE HD12 . 30345 2 696 . 1 1 63 63 ILE HD13 H 1 0.861 0.020 . . . . . . A 60 ILE HD13 . 30345 2 697 . 1 1 63 63 ILE C C 13 174.580 0.400 . . . . . . A 60 ILE C . 30345 2 698 . 1 1 63 63 ILE CA C 13 61.387 0.400 . . . . . . A 60 ILE CA . 30345 2 699 . 1 1 63 63 ILE CB C 13 38.751 0.400 . . . . . . A 60 ILE CB . 30345 2 700 . 1 1 63 63 ILE CG1 C 13 26.919 0.400 . . . . . . A 60 ILE CG1 . 30345 2 701 . 1 1 63 63 ILE CG2 C 13 18.016 0.400 . . . . . . A 60 ILE CG2 . 30345 2 702 . 1 1 63 63 ILE CD1 C 13 12.469 0.400 . . . . . . A 60 ILE CD1 . 30345 2 703 . 1 1 63 63 ILE N N 15 123.768 0.400 . . . . . . A 60 ILE N . 30345 2 704 . 1 1 64 64 LEU H H 1 9.329 0.020 . . . . . . A 61 LEU H . 30345 2 705 . 1 1 64 64 LEU HA H 1 5.234 0.020 . . . . . . A 61 LEU HA . 30345 2 706 . 1 1 64 64 LEU HB2 H 1 1.344 0.020 . . . . . . A 61 LEU HB2 . 30345 2 707 . 1 1 64 64 LEU HB3 H 1 2.246 0.020 . . . . . . A 61 LEU HB3 . 30345 2 708 . 1 1 64 64 LEU HD11 H 1 0.887 0.020 . . . . . . A 61 LEU HD11 . 30345 2 709 . 1 1 64 64 LEU HD12 H 1 0.887 0.020 . . . . . . A 61 LEU HD12 . 30345 2 710 . 1 1 64 64 LEU HD13 H 1 0.887 0.020 . . . . . . A 61 LEU HD13 . 30345 2 711 . 1 1 64 64 LEU HD21 H 1 0.643 0.020 . . . . . . A 61 LEU HD21 . 30345 2 712 . 1 1 64 64 LEU HD22 H 1 0.643 0.020 . . . . . . A 61 LEU HD22 . 30345 2 713 . 1 1 64 64 LEU HD23 H 1 0.643 0.020 . . . . . . A 61 LEU HD23 . 30345 2 714 . 1 1 64 64 LEU C C 13 175.742 0.400 . . . . . . A 61 LEU C . 30345 2 715 . 1 1 64 64 LEU CA C 13 54.253 0.400 . . . . . . A 61 LEU CA . 30345 2 716 . 1 1 64 64 LEU CB C 13 42.028 0.400 . . . . . . A 61 LEU CB . 30345 2 717 . 1 1 64 64 LEU CD1 C 13 26.485 0.400 . . . . . . A 61 LEU CD1 . 30345 2 718 . 1 1 64 64 LEU CD2 C 13 26.090 0.400 . . . . . . A 61 LEU CD2 . 30345 2 719 . 1 1 64 64 LEU N N 15 128.861 0.400 . . . . . . A 61 LEU N . 30345 2 720 . 1 1 65 65 HIS H H 1 8.528 0.020 . . . . . . A 62 HIS H . 30345 2 721 . 1 1 65 65 HIS HA H 1 4.542 0.020 . . . . . . A 62 HIS HA . 30345 2 722 . 1 1 65 65 HIS HB2 H 1 2.669 0.020 . . . . . . A 62 HIS HB2 . 30345 2 723 . 1 1 65 65 HIS HB3 H 1 2.940 0.020 . . . . . . A 62 HIS HB3 . 30345 2 724 . 1 1 65 65 HIS HD2 H 1 7.006 0.020 . . . . . . A 62 HIS HD2 . 30345 2 725 . 1 1 65 65 HIS HE1 H 1 8.183 0.020 . . . . . . A 62 HIS HE1 . 30345 2 726 . 1 1 65 65 HIS C C 13 173.179 0.400 . . . . . . A 62 HIS C . 30345 2 727 . 1 1 65 65 HIS CA C 13 54.494 0.400 . . . . . . A 62 HIS CA . 30345 2 728 . 1 1 65 65 HIS CB C 13 32.349 0.400 . . . . . . A 62 HIS CB . 30345 2 729 . 1 1 65 65 HIS CD2 C 13 118.526 0.400 . . . . . . A 62 HIS CD2 . 30345 2 730 . 1 1 65 65 HIS CE1 C 13 137.516 0.400 . . . . . . A 62 HIS CE1 . 30345 2 731 . 1 1 65 65 HIS N N 15 121.064 0.400 . . . . . . A 62 HIS N . 30345 2 732 . 1 1 66 66 ALA H H 1 8.468 0.020 . . . . . . A 63 ALA H . 30345 2 733 . 1 1 66 66 ALA HA H 1 1.741 0.020 . . . . . . A 63 ALA HA . 30345 2 734 . 1 1 66 66 ALA HB1 H 1 -0.003 0.020 . . . . . . A 63 ALA HB1 . 30345 2 735 . 1 1 66 66 ALA HB2 H 1 -0.003 0.020 . . . . . . A 63 ALA HB2 . 30345 2 736 . 1 1 66 66 ALA HB3 H 1 -0.003 0.020 . . . . . . A 63 ALA HB3 . 30345 2 737 . 1 1 66 66 ALA CA C 13 49.891 0.400 . . . . . . A 63 ALA CA . 30345 2 738 . 1 1 66 66 ALA CB C 13 15.963 0.400 . . . . . . A 63 ALA CB . 30345 2 739 . 1 1 66 66 ALA N N 15 125.609 0.400 . . . . . . A 63 ALA N . 30345 2 740 . 1 1 67 67 PRO HA H 1 4.306 0.020 . . . . . . A 64 PRO HA . 30345 2 741 . 1 1 67 67 PRO HB2 H 1 2.357 0.020 . . . . . . A 64 PRO HB2 . 30345 2 742 . 1 1 67 67 PRO HB3 H 1 1.620 0.020 . . . . . . A 64 PRO HB3 . 30345 2 743 . 1 1 67 67 PRO HG2 H 1 1.804 0.020 . . . . . . A 64 PRO HG2 . 30345 2 744 . 1 1 67 67 PRO HG3 H 1 1.936 0.020 . . . . . . A 64 PRO HG3 . 30345 2 745 . 1 1 67 67 PRO HD2 H 1 2.416 0.020 . . . . . . A 64 PRO HD2 . 30345 2 746 . 1 1 67 67 PRO HD3 H 1 2.939 0.020 . . . . . . A 64 PRO HD3 . 30345 2 747 . 1 1 67 67 PRO C C 13 176.308 0.400 . . . . . . A 64 PRO C . 30345 2 748 . 1 1 67 67 PRO CA C 13 62.192 0.400 . . . . . . A 64 PRO CA . 30345 2 749 . 1 1 67 67 PRO CB C 13 32.288 0.400 . . . . . . A 64 PRO CB . 30345 2 750 . 1 1 67 67 PRO CG C 13 28.044 0.400 . . . . . . A 64 PRO CG . 30345 2 751 . 1 1 67 67 PRO CD C 13 50.919 0.400 . . . . . . A 64 PRO CD . 30345 2 752 . 1 1 68 68 ASP H H 1 8.507 0.020 . . . . . . A 65 ASP H . 30345 2 753 . 1 1 68 68 ASP HA H 1 4.112 0.020 . . . . . . A 65 ASP HA . 30345 2 754 . 1 1 68 68 ASP HB2 H 1 2.540 0.020 . . . . . . A 65 ASP HB2 . 30345 2 755 . 1 1 68 68 ASP HB3 H 1 2.632 0.020 . . . . . . A 65 ASP HB3 . 30345 2 756 . 1 1 68 68 ASP C C 13 177.167 0.400 . . . . . . A 65 ASP C . 30345 2 757 . 1 1 68 68 ASP CA C 13 57.657 0.400 . . . . . . A 65 ASP CA . 30345 2 758 . 1 1 68 68 ASP CB C 13 39.916 0.400 . . . . . . A 65 ASP CB . 30345 2 759 . 1 1 68 68 ASP N N 15 122.627 0.400 . . . . . . A 65 ASP N . 30345 2 760 . 1 1 69 69 ALA H H 1 8.062 0.020 . . . . . . A 66 ALA H . 30345 2 761 . 1 1 69 69 ALA HA H 1 4.269 0.020 . . . . . . A 66 ALA HA . 30345 2 762 . 1 1 69 69 ALA HB1 H 1 1.404 0.020 . . . . . . A 66 ALA HB1 . 30345 2 763 . 1 1 69 69 ALA HB2 H 1 1.404 0.020 . . . . . . A 66 ALA HB2 . 30345 2 764 . 1 1 69 69 ALA HB3 H 1 1.404 0.020 . . . . . . A 66 ALA HB3 . 30345 2 765 . 1 1 69 69 ALA C C 13 177.518 0.400 . . . . . . A 66 ALA C . 30345 2 766 . 1 1 69 69 ALA CA C 13 52.670 0.400 . . . . . . A 66 ALA CA . 30345 2 767 . 1 1 69 69 ALA CB C 13 18.757 0.400 . . . . . . A 66 ALA CB . 30345 2 768 . 1 1 69 69 ALA N N 15 118.337 0.400 . . . . . . A 66 ALA N . 30345 2 769 . 1 1 70 70 GLY H H 1 7.927 0.020 . . . . . . A 67 GLY H . 30345 2 770 . 1 1 70 70 GLY HA2 H 1 3.381 0.020 . . . . . . A 67 GLY HA2 . 30345 2 771 . 1 1 70 70 GLY HA3 H 1 4.391 0.020 . . . . . . A 67 GLY HA3 . 30345 2 772 . 1 1 70 70 GLY C C 13 172.928 0.400 . . . . . . A 67 GLY C . 30345 2 773 . 1 1 70 70 GLY CA C 13 43.247 0.400 . . . . . . A 67 GLY CA . 30345 2 774 . 1 1 70 70 GLY N N 15 108.039 0.400 . . . . . . A 67 GLY N . 30345 2 775 . 1 1 71 71 TRP H H 1 8.556 0.020 . . . . . . A 68 TRP H . 30345 2 776 . 1 1 71 71 TRP HA H 1 4.549 0.020 . . . . . . A 68 TRP HA . 30345 2 777 . 1 1 71 71 TRP HB2 H 1 3.093 0.020 . . . . . . A 68 TRP HB2 . 30345 2 778 . 1 1 71 71 TRP HB3 H 1 3.284 0.020 . . . . . . A 68 TRP HB3 . 30345 2 779 . 1 1 71 71 TRP HD1 H 1 7.228 0.020 . . . . . . A 68 TRP HD1 . 30345 2 780 . 1 1 71 71 TRP HE1 H 1 10.203 0.020 . . . . . . A 68 TRP HE1 . 30345 2 781 . 1 1 71 71 TRP HE3 H 1 6.036 0.020 . . . . . . A 68 TRP HE3 . 30345 2 782 . 1 1 71 71 TRP HZ2 H 1 7.016 0.020 . . . . . . A 68 TRP HZ2 . 30345 2 783 . 1 1 71 71 TRP HZ3 H 1 7.070 0.020 . . . . . . A 68 TRP HZ3 . 30345 2 784 . 1 1 71 71 TRP HH2 H 1 6.340 0.020 . . . . . . A 68 TRP HH2 . 30345 2 785 . 1 1 71 71 TRP C C 13 180.432 0.400 . . . . . . A 68 TRP C . 30345 2 786 . 1 1 71 71 TRP CA C 13 58.768 0.400 . . . . . . A 68 TRP CA . 30345 2 787 . 1 1 71 71 TRP CB C 13 31.081 0.400 . . . . . . A 68 TRP CB . 30345 2 788 . 1 1 71 71 TRP CD1 C 13 128.306 0.400 . . . . . . A 68 TRP CD1 . 30345 2 789 . 1 1 71 71 TRP CE3 C 13 120.454 0.400 . . . . . . A 68 TRP CE3 . 30345 2 790 . 1 1 71 71 TRP CZ2 C 13 114.473 0.400 . . . . . . A 68 TRP CZ2 . 30345 2 791 . 1 1 71 71 TRP CZ3 C 13 121.289 0.400 . . . . . . A 68 TRP CZ3 . 30345 2 792 . 1 1 71 71 TRP CH2 C 13 122.774 0.400 . . . . . . A 68 TRP CH2 . 30345 2 793 . 1 1 71 71 TRP N N 15 119.832 0.400 . . . . . . A 68 TRP N . 30345 2 794 . 1 1 71 71 TRP NE1 N 15 127.951 0.400 . . . . . . A 68 TRP NE1 . 30345 2 795 . 1 1 72 72 GLY H H 1 8.604 0.020 . . . . . . A 69 GLY H . 30345 2 796 . 1 1 72 72 GLY HA2 H 1 3.887 0.020 . . . . . . A 69 GLY HA2 . 30345 2 797 . 1 1 72 72 GLY HA3 H 1 3.887 0.020 . . . . . . A 69 GLY HA3 . 30345 2 798 . 1 1 72 72 GLY C C 13 173.708 0.400 . . . . . . A 69 GLY C . 30345 2 799 . 1 1 72 72 GLY CA C 13 45.921 0.400 . . . . . . A 69 GLY CA . 30345 2 800 . 1 1 72 72 GLY N N 15 103.511 0.400 . . . . . . A 69 GLY N . 30345 2 801 . 1 1 73 73 ASN H H 1 8.776 0.020 . . . . . . A 70 ASN H . 30345 2 802 . 1 1 73 73 ASN HA H 1 5.063 0.020 . . . . . . A 70 ASN HA . 30345 2 803 . 1 1 73 73 ASN HB2 H 1 2.774 0.020 . . . . . . A 70 ASN HB2 . 30345 2 804 . 1 1 73 73 ASN HB3 H 1 2.920 0.020 . . . . . . A 70 ASN HB3 . 30345 2 805 . 1 1 73 73 ASN HD21 H 1 7.561 0.020 . . . . . . A 70 ASN HD21 . 30345 2 806 . 1 1 73 73 ASN HD22 H 1 6.859 0.020 . . . . . . A 70 ASN HD22 . 30345 2 807 . 1 1 73 73 ASN C C 13 175.211 0.400 . . . . . . A 70 ASN C . 30345 2 808 . 1 1 73 73 ASN CA C 13 52.100 0.400 . . . . . . A 70 ASN CA . 30345 2 809 . 1 1 73 73 ASN CB C 13 38.502 0.400 . . . . . . A 70 ASN CB . 30345 2 810 . 1 1 73 73 ASN N N 15 120.142 0.400 . . . . . . A 70 ASN N . 30345 2 811 . 1 1 73 73 ASN ND2 N 15 111.612 0.400 . . . . . . A 70 ASN ND2 . 30345 2 812 . 1 1 74 74 LEU H H 1 6.919 0.020 . . . . . . A 71 LEU H . 30345 2 813 . 1 1 74 74 LEU HA H 1 4.207 0.020 . . . . . . A 71 LEU HA . 30345 2 814 . 1 1 74 74 LEU HB2 H 1 1.156 0.020 . . . . . . A 71 LEU HB2 . 30345 2 815 . 1 1 74 74 LEU HB3 H 1 1.484 0.020 . . . . . . A 71 LEU HB3 . 30345 2 816 . 1 1 74 74 LEU HG H 1 1.708 0.020 . . . . . . A 71 LEU HG . 30345 2 817 . 1 1 74 74 LEU HD11 H 1 0.935 0.020 . . . . . . A 71 LEU HD11 . 30345 2 818 . 1 1 74 74 LEU HD12 H 1 0.935 0.020 . . . . . . A 71 LEU HD12 . 30345 2 819 . 1 1 74 74 LEU HD13 H 1 0.935 0.020 . . . . . . A 71 LEU HD13 . 30345 2 820 . 1 1 74 74 LEU HD21 H 1 0.842 0.020 . . . . . . A 71 LEU HD21 . 30345 2 821 . 1 1 74 74 LEU HD22 H 1 0.842 0.020 . . . . . . A 71 LEU HD22 . 30345 2 822 . 1 1 74 74 LEU HD23 H 1 0.842 0.020 . . . . . . A 71 LEU HD23 . 30345 2 823 . 1 1 74 74 LEU C C 13 174.559 0.400 . . . . . . A 71 LEU C . 30345 2 824 . 1 1 74 74 LEU CA C 13 54.739 0.400 . . . . . . A 71 LEU CA . 30345 2 825 . 1 1 74 74 LEU CB C 13 41.843 0.400 . . . . . . A 71 LEU CB . 30345 2 826 . 1 1 74 74 LEU CG C 13 27.311 0.400 . . . . . . A 71 LEU CG . 30345 2 827 . 1 1 74 74 LEU CD1 C 13 23.155 0.400 . . . . . . A 71 LEU CD1 . 30345 2 828 . 1 1 74 74 LEU CD2 C 13 26.036 0.400 . . . . . . A 71 LEU CD2 . 30345 2 829 . 1 1 74 74 LEU N N 15 117.875 0.400 . . . . . . A 71 LEU N . 30345 2 830 . 1 1 75 75 VAL H H 1 7.890 0.020 . . . . . . A 72 VAL H . 30345 2 831 . 1 1 75 75 VAL HA H 1 4.157 0.020 . . . . . . A 72 VAL HA . 30345 2 832 . 1 1 75 75 VAL HB H 1 1.862 0.020 . . . . . . A 72 VAL HB . 30345 2 833 . 1 1 75 75 VAL HG11 H 1 0.906 0.020 . . . . . . A 72 VAL HG11 . 30345 2 834 . 1 1 75 75 VAL HG12 H 1 0.906 0.020 . . . . . . A 72 VAL HG12 . 30345 2 835 . 1 1 75 75 VAL HG13 H 1 0.906 0.020 . . . . . . A 72 VAL HG13 . 30345 2 836 . 1 1 75 75 VAL HG21 H 1 0.785 0.020 . . . . . . A 72 VAL HG21 . 30345 2 837 . 1 1 75 75 VAL HG22 H 1 0.785 0.020 . . . . . . A 72 VAL HG22 . 30345 2 838 . 1 1 75 75 VAL HG23 H 1 0.785 0.020 . . . . . . A 72 VAL HG23 . 30345 2 839 . 1 1 75 75 VAL C C 13 174.578 0.400 . . . . . . A 72 VAL C . 30345 2 840 . 1 1 75 75 VAL CA C 13 62.360 0.400 . . . . . . A 72 VAL CA . 30345 2 841 . 1 1 75 75 VAL CB C 13 31.999 0.400 . . . . . . A 72 VAL CB . 30345 2 842 . 1 1 75 75 VAL CG1 C 13 21.732 0.400 . . . . . . A 72 VAL CG1 . 30345 2 843 . 1 1 75 75 VAL CG2 C 13 22.559 0.400 . . . . . . A 72 VAL CG2 . 30345 2 844 . 1 1 75 75 VAL N N 15 118.514 0.400 . . . . . . A 72 VAL N . 30345 2 845 . 1 1 76 76 TYR H H 1 8.951 0.020 . . . . . . A 73 TYR H . 30345 2 846 . 1 1 76 76 TYR HA H 1 4.692 0.020 . . . . . . A 73 TYR HA . 30345 2 847 . 1 1 76 76 TYR HB2 H 1 2.792 0.020 . . . . . . A 73 TYR HB2 . 30345 2 848 . 1 1 76 76 TYR HB3 H 1 3.012 0.020 . . . . . . A 73 TYR HB3 . 30345 2 849 . 1 1 76 76 TYR HD1 H 1 6.730 0.020 . . . . . . A 73 TYR HD1 . 30345 2 850 . 1 1 76 76 TYR HD2 H 1 6.730 0.020 . . . . . . A 73 TYR HD2 . 30345 2 851 . 1 1 76 76 TYR HE1 H 1 6.773 0.020 . . . . . . A 73 TYR HE1 . 30345 2 852 . 1 1 76 76 TYR HE2 H 1 6.773 0.020 . . . . . . A 73 TYR HE2 . 30345 2 853 . 1 1 76 76 TYR C C 13 174.465 0.400 . . . . . . A 73 TYR C . 30345 2 854 . 1 1 76 76 TYR CA C 13 58.152 0.400 . . . . . . A 73 TYR CA . 30345 2 855 . 1 1 76 76 TYR CB C 13 40.689 0.400 . . . . . . A 73 TYR CB . 30345 2 856 . 1 1 76 76 TYR CD1 C 13 132.977 0.400 . . . . . . A 73 TYR CD1 . 30345 2 857 . 1 1 76 76 TYR CE1 C 13 118.513 0.400 . . . . . . A 73 TYR CE1 . 30345 2 858 . 1 1 76 76 TYR N N 15 127.734 0.400 . . . . . . A 73 TYR N . 30345 2 859 . 1 1 77 77 VAL H H 1 9.432 0.020 . . . . . . A 74 VAL H . 30345 2 860 . 1 1 77 77 VAL HA H 1 4.875 0.020 . . . . . . A 74 VAL HA . 30345 2 861 . 1 1 77 77 VAL HB H 1 1.637 0.020 . . . . . . A 74 VAL HB . 30345 2 862 . 1 1 77 77 VAL HG11 H 1 0.703 0.020 . . . . . . A 74 VAL HG11 . 30345 2 863 . 1 1 77 77 VAL HG12 H 1 0.703 0.020 . . . . . . A 74 VAL HG12 . 30345 2 864 . 1 1 77 77 VAL HG13 H 1 0.703 0.020 . . . . . . A 74 VAL HG13 . 30345 2 865 . 1 1 77 77 VAL HG21 H 1 0.703 0.020 . . . . . . A 74 VAL HG21 . 30345 2 866 . 1 1 77 77 VAL HG22 H 1 0.703 0.020 . . . . . . A 74 VAL HG22 . 30345 2 867 . 1 1 77 77 VAL HG23 H 1 0.703 0.020 . . . . . . A 74 VAL HG23 . 30345 2 868 . 1 1 77 77 VAL C C 13 176.943 0.400 . . . . . . A 74 VAL C . 30345 2 869 . 1 1 77 77 VAL CA C 13 59.868 0.400 . . . . . . A 74 VAL CA . 30345 2 870 . 1 1 77 77 VAL CB C 13 33.731 0.400 . . . . . . A 74 VAL CB . 30345 2 871 . 1 1 77 77 VAL CG1 C 13 21.232 0.400 . . . . . . A 74 VAL CG1 . 30345 2 872 . 1 1 77 77 VAL N N 15 122.508 0.400 . . . . . . A 74 VAL N . 30345 2 873 . 1 1 78 78 VAL H H 1 7.897 0.020 . . . . . . A 75 VAL H . 30345 2 874 . 1 1 78 78 VAL HA H 1 3.959 0.020 . . . . . . A 75 VAL HA . 30345 2 875 . 1 1 78 78 VAL HB H 1 1.377 0.020 . . . . . . A 75 VAL HB . 30345 2 876 . 1 1 78 78 VAL HG11 H 1 0.168 0.020 . . . . . . A 75 VAL HG11 . 30345 2 877 . 1 1 78 78 VAL HG12 H 1 0.168 0.020 . . . . . . A 75 VAL HG12 . 30345 2 878 . 1 1 78 78 VAL HG13 H 1 0.168 0.020 . . . . . . A 75 VAL HG13 . 30345 2 879 . 1 1 78 78 VAL HG21 H 1 0.204 0.020 . . . . . . A 75 VAL HG21 . 30345 2 880 . 1 1 78 78 VAL HG22 H 1 0.204 0.020 . . . . . . A 75 VAL HG22 . 30345 2 881 . 1 1 78 78 VAL HG23 H 1 0.204 0.020 . . . . . . A 75 VAL HG23 . 30345 2 882 . 1 1 78 78 VAL C C 13 174.777 0.400 . . . . . . A 75 VAL C . 30345 2 883 . 1 1 78 78 VAL CA C 13 62.889 0.400 . . . . . . A 75 VAL CA . 30345 2 884 . 1 1 78 78 VAL CB C 13 32.647 0.400 . . . . . . A 75 VAL CB . 30345 2 885 . 1 1 78 78 VAL CG1 C 13 22.274 0.400 . . . . . . A 75 VAL CG1 . 30345 2 886 . 1 1 78 78 VAL CG2 C 13 20.475 0.400 . . . . . . A 75 VAL CG2 . 30345 2 887 . 1 1 78 78 VAL N N 15 122.102 0.400 . . . . . . A 75 VAL N . 30345 2 888 . 1 1 79 79 ASN H H 1 7.774 0.020 . . . . . . A 76 ASN H . 30345 2 889 . 1 1 79 79 ASN HA H 1 4.870 0.020 . . . . . . A 76 ASN HA . 30345 2 890 . 1 1 79 79 ASN HB2 H 1 2.120 0.020 . . . . . . A 76 ASN HB2 . 30345 2 891 . 1 1 79 79 ASN HB3 H 1 2.469 0.020 . . . . . . A 76 ASN HB3 . 30345 2 892 . 1 1 79 79 ASN HD21 H 1 7.183 0.020 . . . . . . A 76 ASN HD21 . 30345 2 893 . 1 1 79 79 ASN HD22 H 1 6.317 0.020 . . . . . . A 76 ASN HD22 . 30345 2 894 . 1 1 79 79 ASN C C 13 173.359 0.400 . . . . . . A 76 ASN C . 30345 2 895 . 1 1 79 79 ASN CA C 13 50.878 0.400 . . . . . . A 76 ASN CA . 30345 2 896 . 1 1 79 79 ASN CB C 13 40.403 0.400 . . . . . . A 76 ASN CB . 30345 2 897 . 1 1 79 79 ASN N N 15 121.422 0.400 . . . . . . A 76 ASN N . 30345 2 898 . 1 1 79 79 ASN ND2 N 15 110.125 0.400 . . . . . . A 76 ASN ND2 . 30345 2 899 . 1 1 80 80 TYR H H 1 8.727 0.020 . . . . . . A 77 TYR H . 30345 2 900 . 1 1 80 80 TYR HA H 1 5.044 0.020 . . . . . . A 77 TYR HA . 30345 2 901 . 1 1 80 80 TYR HB2 H 1 2.539 0.020 . . . . . . A 77 TYR HB2 . 30345 2 902 . 1 1 80 80 TYR HB3 H 1 2.539 0.020 . . . . . . A 77 TYR HB3 . 30345 2 903 . 1 1 80 80 TYR HD1 H 1 6.730 0.020 . . . . . . A 77 TYR HD1 . 30345 2 904 . 1 1 80 80 TYR HD2 H 1 6.730 0.020 . . . . . . A 77 TYR HD2 . 30345 2 905 . 1 1 80 80 TYR HE1 H 1 6.773 0.020 . . . . . . A 77 TYR HE1 . 30345 2 906 . 1 1 80 80 TYR HE2 H 1 6.773 0.020 . . . . . . A 77 TYR HE2 . 30345 2 907 . 1 1 80 80 TYR CA C 13 56.328 0.400 . . . . . . A 77 TYR CA . 30345 2 908 . 1 1 80 80 TYR CB C 13 39.326 0.400 . . . . . . A 77 TYR CB . 30345 2 909 . 1 1 80 80 TYR CD1 C 13 132.977 0.400 . . . . . . A 77 TYR CD1 . 30345 2 910 . 1 1 80 80 TYR CE1 C 13 118.513 0.400 . . . . . . A 77 TYR CE1 . 30345 2 911 . 1 1 80 80 TYR N N 15 122.061 0.400 . . . . . . A 77 TYR N . 30345 2 912 . 1 1 81 81 PRO HA H 1 4.438 0.020 . . . . . . A 78 PRO HA . 30345 2 913 . 1 1 81 81 PRO HB2 H 1 2.354 0.020 . . . . . . A 78 PRO HB2 . 30345 2 914 . 1 1 81 81 PRO HB3 H 1 2.036 0.020 . . . . . . A 78 PRO HB3 . 30345 2 915 . 1 1 81 81 PRO HG2 H 1 2.198 0.020 . . . . . . A 78 PRO HG2 . 30345 2 916 . 1 1 81 81 PRO HG3 H 1 1.993 0.020 . . . . . . A 78 PRO HG3 . 30345 2 917 . 1 1 81 81 PRO HD2 H 1 3.992 0.020 . . . . . . A 78 PRO HD2 . 30345 2 918 . 1 1 81 81 PRO HD3 H 1 3.992 0.020 . . . . . . A 78 PRO HD3 . 30345 2 919 . 1 1 81 81 PRO C C 13 176.539 0.400 . . . . . . A 78 PRO C . 30345 2 920 . 1 1 81 81 PRO CA C 13 64.043 0.400 . . . . . . A 78 PRO CA . 30345 2 921 . 1 1 81 81 PRO CB C 13 31.886 0.400 . . . . . . A 78 PRO CB . 30345 2 922 . 1 1 81 81 PRO CG C 13 27.732 0.400 . . . . . . A 78 PRO CG . 30345 2 923 . 1 1 81 81 PRO CD C 13 51.109 0.400 . . . . . . A 78 PRO CD . 30345 2 924 . 1 1 82 82 LYS H H 1 8.209 0.020 . . . . . . A 79 LYS H . 30345 2 925 . 1 1 82 82 LYS HA H 1 4.410 0.020 . . . . . . A 79 LYS HA . 30345 2 926 . 1 1 82 82 LYS HB2 H 1 1.853 0.020 . . . . . . A 79 LYS HB2 . 30345 2 927 . 1 1 82 82 LYS HB3 H 1 1.776 0.020 . . . . . . A 79 LYS HB3 . 30345 2 928 . 1 1 82 82 LYS HG2 H 1 1.424 0.020 . . . . . . A 79 LYS HG2 . 30345 2 929 . 1 1 82 82 LYS HG3 H 1 1.424 0.020 . . . . . . A 79 LYS HG3 . 30345 2 930 . 1 1 82 82 LYS HD2 H 1 1.656 0.020 . . . . . . A 79 LYS HD2 . 30345 2 931 . 1 1 82 82 LYS HD3 H 1 1.656 0.020 . . . . . . A 79 LYS HD3 . 30345 2 932 . 1 1 82 82 LYS HE2 H 1 2.986 0.020 . . . . . . A 79 LYS HE2 . 30345 2 933 . 1 1 82 82 LYS HE3 H 1 2.986 0.020 . . . . . . A 79 LYS HE3 . 30345 2 934 . 1 1 82 82 LYS C C 13 175.305 0.400 . . . . . . A 79 LYS C . 30345 2 935 . 1 1 82 82 LYS CA C 13 55.915 0.400 . . . . . . A 79 LYS CA . 30345 2 936 . 1 1 82 82 LYS CB C 13 33.299 0.400 . . . . . . A 79 LYS CB . 30345 2 937 . 1 1 82 82 LYS CG C 13 24.293 0.400 . . . . . . A 79 LYS CG . 30345 2 938 . 1 1 82 82 LYS CD C 13 29.008 0.400 . . . . . . A 79 LYS CD . 30345 2 939 . 1 1 82 82 LYS CE C 13 42.220 0.400 . . . . . . A 79 LYS CE . 30345 2 940 . 1 1 82 82 LYS N N 15 120.507 0.400 . . . . . . A 79 LYS N . 30345 2 941 . 1 1 83 83 ASP H H 1 7.971 0.020 . . . . . . A 80 ASP H . 30345 2 942 . 1 1 83 83 ASP HA H 1 4.365 0.020 . . . . . . A 80 ASP HA . 30345 2 943 . 1 1 83 83 ASP HB2 H 1 2.693 0.020 . . . . . . A 80 ASP HB2 . 30345 2 944 . 1 1 83 83 ASP HB3 H 1 2.590 0.020 . . . . . . A 80 ASP HB3 . 30345 2 945 . 1 1 83 83 ASP CA C 13 56.225 0.400 . . . . . . A 80 ASP CA . 30345 2 946 . 1 1 83 83 ASP CB C 13 42.160 0.400 . . . . . . A 80 ASP CB . 30345 2 947 . 1 1 83 83 ASP N N 15 127.212 0.400 . . . . . . A 80 ASP N . 30345 2 stop_ save_