data_27981 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 27981 _Entry.Title ; Backbone 1H, 13C, and 15N chemical shift assignments for C. elegans STIM EF-SAM in the presence of calcium. ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2019-07-22 _Entry.Accession_date 2019-07-22 _Entry.Last_release_date 2019-07-22 _Entry.Original_release_date 2019-07-22 _Entry.Origination author _Entry.Format_name . _Entry.NMR_STAR_version 3.2.6.0 _Entry.NMR_STAR_dict_location . _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 . _Entry.BMRB_internal_directory_name . loop_ _Entry_author.Ordinal _Entry_author.Given_name _Entry_author.Family_name _Entry_author.First_initial _Entry_author.Middle_initials _Entry_author.Family_title _Entry_author.ORCID _Entry_author.Entry_ID 1 Masahiro Enomoto . . . . 27981 2 Tadateru Nishikawa . . . . 27981 3 Sung-In Back . . . . 27981 4 Noboru Ishiyama . . . . 27981 5 Le Zheng . . . . 27981 6 Peter Stathopulos . B. . . 27981 7 Mitsuhiko Ikura . . . . 27981 stop_ loop_ _Entry_src.ID _Entry_src.Project_name _Entry_src.Organization_full_name _Entry_src.Organization_initials _Entry_src.Entry_ID 1 . 'Mitsu Ikura Lab, PMCC, UHN' . 27981 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 27981 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 465 27981 '15N chemical shifts' 147 27981 '1H chemical shifts' 147 27981 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 . . 2020-02-05 2019-07-22 update BMRB 'update entry citation' 27981 1 . . 2019-11-07 2019-07-22 original author 'original release' 27981 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID BMRB 27982 'Ca2+ depleted form 1' 27981 BMRB 27983 'Ca2+ depleted form 2' 27981 PDB 6PW7 'X-ray crystal structure of C. elegans STIM EF-SAM domain' 27981 stop_ save_ ############### # Citations # ############### save_citation_1 _Citation.Sf_category citations _Citation.Sf_framecode citation_1 _Citation.Entry_ID 27981 _Citation.ID 1 _Citation.Name . _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.PubMed_ID 31626806 _Citation.DOI . _Citation.Full_citation . _Citation.Title ; Coordination of a single calcium ion in the EF-hand maintains the off state of the stromal interaction molecule luminal domain ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'J. Mol. Biol.' _Citation.Journal_name_full . _Citation.Journal_volume 432 _Citation.Journal_issue 2 _Citation.Journal_ASTM . _Citation.Journal_ISSN . _Citation.Journal_CSD . _Citation.Book_title . _Citation.Book_chapter_title . _Citation.Book_volume . _Citation.Book_series . _Citation.Book_publisher . _Citation.Book_publisher_city . _Citation.Book_ISBN . _Citation.Conference_title . _Citation.Conference_site . _Citation.Conference_state_province . _Citation.Conference_country . _Citation.Conference_start_date . _Citation.Conference_end_date . _Citation.Conference_abstract_number . _Citation.Thesis_institution . _Citation.Thesis_institution_city . _Citation.Thesis_institution_country . _Citation.WWW_URL . _Citation.Page_first 367 _Citation.Page_last 383 _Citation.Year 2020 _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 Masahiro Enomoto . . . . 27981 1 2 Tadateru Nishikawa . . . . 27981 1 3 Sung-In Back . . . . 27981 1 4 Noboru Ishiyama . . . . 27981 1 5 Le Zheng . . . . 27981 1 6 Peter Stathopulos . B. . . 27981 1 7 Mitsuhiko Ikura . . . . 27981 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 27981 _Assembly.ID 1 _Assembly.Name 'Ca2+ loaded monomer' _Assembly.BMRB_code . _Assembly.Number_of_components 2 _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds no _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 protein 1 $stromal_interaction_molecule A . yes native no no . . 'EF-SAM polypeptide region' 27981 1 2 metal 2 $entity_CA A . no native no no . . 'calcium ion' 27981 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_stromal_interaction_molecule _Entity.Sf_category entity _Entity.Sf_framecode stromal_interaction_molecule _Entity.Entry_ID 27981 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name stromal_interaction_molecule _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID . _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; GSHMASDRVTRNVEVTAEEE KIRDKLGYEAIRDIHRDMDD DHSGSIDRNESTGFMKEDMQ MRGSERTRRENKFHGDDDAI TVDDLWEAWFESIERTWTNE RLVEWLINDVNLPSIVEAVK AKKIDGKILPRFASPNSDFL NKELGIKSSVYRQKLRLNSL DVVLFGYKDNNNRTKD ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details ; Residues -5 to 0 are residual cloning artifact residues. Residues 23 to 192 are native protein residues. ; _Entity.Ambiguous_conformational_states no _Entity.Ambiguous_chem_comp_sites no _Entity.Nstd_monomer no _Entity.Nstd_chirality no _Entity.Nstd_linkage no _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 176 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'not present' _Entity.Src_method . _Entity.Parent_entity_ID . _Entity.Fragment 'EF-SAM region' _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight . _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date . loop_ _Entity_db_link.Ordinal _Entity_db_link.Author_supplied _Entity_db_link.Database_code _Entity_db_link.Accession_code _Entity_db_link.Entry_mol_code _Entity_db_link.Entry_mol_name _Entity_db_link.Entry_experimental_method _Entity_db_link.Entry_structure_resolution _Entity_db_link.Entry_relation_type _Entity_db_link.Entry_details _Entity_db_link.Chimera_segment_ID _Entity_db_link.Seq_query_to_submitted_percent _Entity_db_link.Seq_subject_length _Entity_db_link.Seq_identity _Entity_db_link.Seq_positive _Entity_db_link.Seq_homology_expectation_val _Entity_db_link.Seq_align_begin _Entity_db_link.Seq_align_end _Entity_db_link.Seq_difference_details _Entity_db_link.Seq_alignment_details _Entity_db_link.Entry_ID _Entity_db_link.Entity_ID 1 yes NCBI ABG89384.1 . 'stromal interaction molecule-1 [Caenorhabditis elegans]' . . . . . . . . . . . . . . 27981 1 2 yes UNP G5EF60 . STIM1_CAEEL . . . . . . . . . . . . . . 27981 1 stop_ loop_ _Entity_biological_function.Biological_function _Entity_biological_function.Entry_ID _Entity_biological_function.Entity_ID 'calcium sensing' 27981 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 . 27981 1 2 . SER . 27981 1 3 . HIS . 27981 1 4 . MET . 27981 1 5 . ALA . 27981 1 6 . SER . 27981 1 7 . ASP . 27981 1 8 . ARG . 27981 1 9 . VAL . 27981 1 10 . THR . 27981 1 11 . ARG . 27981 1 12 . ASN . 27981 1 13 . VAL . 27981 1 14 . GLU . 27981 1 15 . VAL . 27981 1 16 . THR . 27981 1 17 . ALA . 27981 1 18 . GLU . 27981 1 19 . GLU . 27981 1 20 . GLU . 27981 1 21 . LYS . 27981 1 22 . ILE . 27981 1 23 . ARG . 27981 1 24 . ASP . 27981 1 25 . LYS . 27981 1 26 . LEU . 27981 1 27 . GLY . 27981 1 28 . TYR . 27981 1 29 . GLU . 27981 1 30 . ALA . 27981 1 31 . ILE . 27981 1 32 . ARG . 27981 1 33 . ASP . 27981 1 34 . ILE . 27981 1 35 . HIS . 27981 1 36 . ARG . 27981 1 37 . ASP . 27981 1 38 . MET . 27981 1 39 . ASP . 27981 1 40 . ASP . 27981 1 41 . ASP . 27981 1 42 . HIS . 27981 1 43 . SER . 27981 1 44 . GLY . 27981 1 45 . SER . 27981 1 46 . ILE . 27981 1 47 . ASP . 27981 1 48 . ARG . 27981 1 49 . ASN . 27981 1 50 . GLU . 27981 1 51 . SER . 27981 1 52 . THR . 27981 1 53 . GLY . 27981 1 54 . PHE . 27981 1 55 . MET . 27981 1 56 . LYS . 27981 1 57 . GLU . 27981 1 58 . ASP . 27981 1 59 . MET . 27981 1 60 . GLN . 27981 1 61 . MET . 27981 1 62 . ARG . 27981 1 63 . GLY . 27981 1 64 . SER . 27981 1 65 . GLU . 27981 1 66 . ARG . 27981 1 67 . THR . 27981 1 68 . ARG . 27981 1 69 . ARG . 27981 1 70 . GLU . 27981 1 71 . ASN . 27981 1 72 . LYS . 27981 1 73 . PHE . 27981 1 74 . HIS . 27981 1 75 . GLY . 27981 1 76 . ASP . 27981 1 77 . ASP . 27981 1 78 . ASP . 27981 1 79 . ALA . 27981 1 80 . ILE . 27981 1 81 . THR . 27981 1 82 . VAL . 27981 1 83 . ASP . 27981 1 84 . ASP . 27981 1 85 . LEU . 27981 1 86 . TRP . 27981 1 87 . GLU . 27981 1 88 . ALA . 27981 1 89 . TRP . 27981 1 90 . PHE . 27981 1 91 . GLU . 27981 1 92 . SER . 27981 1 93 . ILE . 27981 1 94 . GLU . 27981 1 95 . ARG . 27981 1 96 . THR . 27981 1 97 . TRP . 27981 1 98 . THR . 27981 1 99 . ASN . 27981 1 100 . GLU . 27981 1 101 . ARG . 27981 1 102 . LEU . 27981 1 103 . VAL . 27981 1 104 . GLU . 27981 1 105 . TRP . 27981 1 106 . LEU . 27981 1 107 . ILE . 27981 1 108 . ASN . 27981 1 109 . ASP . 27981 1 110 . VAL . 27981 1 111 . ASN . 27981 1 112 . LEU . 27981 1 113 . PRO . 27981 1 114 . SER . 27981 1 115 . ILE . 27981 1 116 . VAL . 27981 1 117 . GLU . 27981 1 118 . ALA . 27981 1 119 . VAL . 27981 1 120 . LYS . 27981 1 121 . ALA . 27981 1 122 . LYS . 27981 1 123 . LYS . 27981 1 124 . ILE . 27981 1 125 . ASP . 27981 1 126 . GLY . 27981 1 127 . LYS . 27981 1 128 . ILE . 27981 1 129 . LEU . 27981 1 130 . PRO . 27981 1 131 . ARG . 27981 1 132 . PHE . 27981 1 133 . ALA . 27981 1 134 . SER . 27981 1 135 . PRO . 27981 1 136 . ASN . 27981 1 137 . SER . 27981 1 138 . ASP . 27981 1 139 . PHE . 27981 1 140 . LEU . 27981 1 141 . ASN . 27981 1 142 . LYS . 27981 1 143 . GLU . 27981 1 144 . LEU . 27981 1 145 . GLY . 27981 1 146 . ILE . 27981 1 147 . LYS . 27981 1 148 . SER . 27981 1 149 . SER . 27981 1 150 . VAL . 27981 1 151 . TYR . 27981 1 152 . ARG . 27981 1 153 . GLN . 27981 1 154 . LYS . 27981 1 155 . LEU . 27981 1 156 . ARG . 27981 1 157 . LEU . 27981 1 158 . ASN . 27981 1 159 . SER . 27981 1 160 . LEU . 27981 1 161 . ASP . 27981 1 162 . VAL . 27981 1 163 . VAL . 27981 1 164 . LEU . 27981 1 165 . PHE . 27981 1 166 . GLY . 27981 1 167 . TYR . 27981 1 168 . LYS . 27981 1 169 . ASP . 27981 1 170 . ASN . 27981 1 171 . ASN . 27981 1 172 . ASN . 27981 1 173 . ARG . 27981 1 174 . THR . 27981 1 175 . LYS . 27981 1 176 . ASP . 27981 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 27981 1 . SER 2 2 27981 1 . HIS 3 3 27981 1 . MET 4 4 27981 1 . ALA 5 5 27981 1 . SER 6 6 27981 1 . ASP 7 7 27981 1 . ARG 8 8 27981 1 . VAL 9 9 27981 1 . THR 10 10 27981 1 . ARG 11 11 27981 1 . ASN 12 12 27981 1 . VAL 13 13 27981 1 . GLU 14 14 27981 1 . VAL 15 15 27981 1 . THR 16 16 27981 1 . ALA 17 17 27981 1 . GLU 18 18 27981 1 . GLU 19 19 27981 1 . GLU 20 20 27981 1 . LYS 21 21 27981 1 . ILE 22 22 27981 1 . ARG 23 23 27981 1 . ASP 24 24 27981 1 . LYS 25 25 27981 1 . LEU 26 26 27981 1 . GLY 27 27 27981 1 . TYR 28 28 27981 1 . GLU 29 29 27981 1 . ALA 30 30 27981 1 . ILE 31 31 27981 1 . ARG 32 32 27981 1 . ASP 33 33 27981 1 . ILE 34 34 27981 1 . HIS 35 35 27981 1 . ARG 36 36 27981 1 . ASP 37 37 27981 1 . MET 38 38 27981 1 . ASP 39 39 27981 1 . ASP 40 40 27981 1 . ASP 41 41 27981 1 . HIS 42 42 27981 1 . SER 43 43 27981 1 . GLY 44 44 27981 1 . SER 45 45 27981 1 . ILE 46 46 27981 1 . ASP 47 47 27981 1 . ARG 48 48 27981 1 . ASN 49 49 27981 1 . GLU 50 50 27981 1 . SER 51 51 27981 1 . THR 52 52 27981 1 . GLY 53 53 27981 1 . PHE 54 54 27981 1 . MET 55 55 27981 1 . LYS 56 56 27981 1 . GLU 57 57 27981 1 . ASP 58 58 27981 1 . MET 59 59 27981 1 . GLN 60 60 27981 1 . MET 61 61 27981 1 . ARG 62 62 27981 1 . GLY 63 63 27981 1 . SER 64 64 27981 1 . GLU 65 65 27981 1 . ARG 66 66 27981 1 . THR 67 67 27981 1 . ARG 68 68 27981 1 . ARG 69 69 27981 1 . GLU 70 70 27981 1 . ASN 71 71 27981 1 . LYS 72 72 27981 1 . PHE 73 73 27981 1 . HIS 74 74 27981 1 . GLY 75 75 27981 1 . ASP 76 76 27981 1 . ASP 77 77 27981 1 . ASP 78 78 27981 1 . ALA 79 79 27981 1 . ILE 80 80 27981 1 . THR 81 81 27981 1 . VAL 82 82 27981 1 . ASP 83 83 27981 1 . ASP 84 84 27981 1 . LEU 85 85 27981 1 . TRP 86 86 27981 1 . GLU 87 87 27981 1 . ALA 88 88 27981 1 . TRP 89 89 27981 1 . PHE 90 90 27981 1 . GLU 91 91 27981 1 . SER 92 92 27981 1 . ILE 93 93 27981 1 . GLU 94 94 27981 1 . ARG 95 95 27981 1 . THR 96 96 27981 1 . TRP 97 97 27981 1 . THR 98 98 27981 1 . ASN 99 99 27981 1 . GLU 100 100 27981 1 . ARG 101 101 27981 1 . LEU 102 102 27981 1 . VAL 103 103 27981 1 . GLU 104 104 27981 1 . TRP 105 105 27981 1 . LEU 106 106 27981 1 . ILE 107 107 27981 1 . ASN 108 108 27981 1 . ASP 109 109 27981 1 . VAL 110 110 27981 1 . ASN 111 111 27981 1 . LEU 112 112 27981 1 . PRO 113 113 27981 1 . SER 114 114 27981 1 . ILE 115 115 27981 1 . VAL 116 116 27981 1 . GLU 117 117 27981 1 . ALA 118 118 27981 1 . VAL 119 119 27981 1 . LYS 120 120 27981 1 . ALA 121 121 27981 1 . LYS 122 122 27981 1 . LYS 123 123 27981 1 . ILE 124 124 27981 1 . ASP 125 125 27981 1 . GLY 126 126 27981 1 . LYS 127 127 27981 1 . ILE 128 128 27981 1 . LEU 129 129 27981 1 . PRO 130 130 27981 1 . ARG 131 131 27981 1 . PHE 132 132 27981 1 . ALA 133 133 27981 1 . SER 134 134 27981 1 . PRO 135 135 27981 1 . ASN 136 136 27981 1 . SER 137 137 27981 1 . ASP 138 138 27981 1 . PHE 139 139 27981 1 . LEU 140 140 27981 1 . ASN 141 141 27981 1 . LYS 142 142 27981 1 . GLU 143 143 27981 1 . LEU 144 144 27981 1 . GLY 145 145 27981 1 . ILE 146 146 27981 1 . LYS 147 147 27981 1 . SER 148 148 27981 1 . SER 149 149 27981 1 . VAL 150 150 27981 1 . TYR 151 151 27981 1 . ARG 152 152 27981 1 . GLN 153 153 27981 1 . LYS 154 154 27981 1 . LEU 155 155 27981 1 . ARG 156 156 27981 1 . LEU 157 157 27981 1 . ASN 158 158 27981 1 . SER 159 159 27981 1 . LEU 160 160 27981 1 . ASP 161 161 27981 1 . VAL 162 162 27981 1 . VAL 163 163 27981 1 . LEU 164 164 27981 1 . PHE 165 165 27981 1 . GLY 166 166 27981 1 . TYR 167 167 27981 1 . LYS 168 168 27981 1 . ASP 169 169 27981 1 . ASN 170 170 27981 1 . ASN 171 171 27981 1 . ASN 172 172 27981 1 . ARG 173 173 27981 1 . THR 174 174 27981 1 . LYS 175 175 27981 1 . ASP 176 176 27981 1 stop_ save_ save_entity_CA _Entity.Sf_category entity _Entity.Sf_framecode entity_CA _Entity.Entry_ID 27981 _Entity.ID 2 _Entity.BMRB_code CA _Entity.Name 'CALCIUM ION' _Entity.Type non-polymer _Entity.Polymer_common_type . _Entity.Polymer_type . _Entity.Polymer_type_details . _Entity.Polymer_strand_ID . _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code . _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states . _Entity.Ambiguous_chem_comp_sites . _Entity.Nstd_monomer . _Entity.Nstd_chirality . _Entity.Nstd_linkage . _Entity.Nonpolymer_comp_ID CA _Entity.Nonpolymer_comp_label $chem_comp_CA _Entity.Number_of_monomers . _Entity.Number_of_nonpolymer_components 1 _Entity.Paramagnetic . _Entity.Thiol_state . _Entity.Src_method . _Entity.Parent_entity_ID 2 _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 40.078 _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 'CALCIUM ION' BMRB 27981 2 stop_ loop_ _Entity_systematic_name.Name _Entity_systematic_name.Naming_system _Entity_systematic_name.Entry_ID _Entity_systematic_name.Entity_ID 'CALCIUM ION' BMRB 27981 2 CA 'Three letter code' 27981 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 1 CA $chem_comp_CA 27981 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 27981 _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 $stromal_interaction_molecule . 6293 organism . 'Caenorhabditis elegans' roundworm . . Eukaryota Metazoa Caenorhabditis elegans . . . . . . . . . . . . . 27981 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 27981 _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 $stromal_interaction_molecule . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli . . . . . . pET28a . . . 27981 1 stop_ save_ ################################# # Polymer residues and ligands # ################################# save_chem_comp_CA _Chem_comp.Sf_category chem_comp _Chem_comp.Sf_framecode chem_comp_CA _Chem_comp.Entry_ID 27981 _Chem_comp.ID CA _Chem_comp.Provenance PDB _Chem_comp.Name 'CALCIUM ION' _Chem_comp.Type NON-POLYMER _Chem_comp.BMRB_code CA _Chem_comp.PDB_code CA _Chem_comp.Ambiguous_flag no _Chem_comp.Initial_date 2012-11-20 _Chem_comp.Modified_date 2012-11-20 _Chem_comp.Release_status REL _Chem_comp.Replaced_by . _Chem_comp.Replaces . _Chem_comp.One_letter_code . _Chem_comp.Three_letter_code CA _Chem_comp.Number_atoms_all 1 _Chem_comp.Number_atoms_nh 1 _Chem_comp.Atom_nomenclature_source . _Chem_comp.PubChem_code . _Chem_comp.Subcomponent_list . _Chem_comp.InChI_code InChI=1S/Ca/q+2 _Chem_comp.Mon_nstd_flag . _Chem_comp.Mon_nstd_class . _Chem_comp.Mon_nstd_details . _Chem_comp.Mon_nstd_parent . _Chem_comp.Mon_nstd_parent_comp_ID . _Chem_comp.Std_deriv_one_letter_code . _Chem_comp.Std_deriv_three_letter_code . _Chem_comp.Std_deriv_BMRB_code . _Chem_comp.Std_deriv_PDB_code . _Chem_comp.Std_deriv_chem_comp_name . _Chem_comp.Synonyms . _Chem_comp.Formal_charge 2 _Chem_comp.Paramagnetic . _Chem_comp.Aromatic no _Chem_comp.Formula Ca _Chem_comp.Formula_weight 40.078 _Chem_comp.Formula_mono_iso_wt_nat . _Chem_comp.Formula_mono_iso_wt_13C . _Chem_comp.Formula_mono_iso_wt_15N . _Chem_comp.Formula_mono_iso_wt_13C_15N . _Chem_comp.Image_file_name . _Chem_comp.Image_file_format . _Chem_comp.Topo_file_name . _Chem_comp.Topo_file_format . _Chem_comp.Struct_file_name . _Chem_comp.Struct_file_format . _Chem_comp.Stereochem_param_file_name . _Chem_comp.Stereochem_param_file_format . _Chem_comp.Model_details . _Chem_comp.Model_erf . _Chem_comp.Model_source . _Chem_comp.Model_coordinates_details . _Chem_comp.Model_coordinates_missing_flag no _Chem_comp.Ideal_coordinates_details . _Chem_comp.Ideal_coordinates_missing_flag no _Chem_comp.Model_coordinates_db_code . _Chem_comp.Processing_site RCSB _Chem_comp.Vendor . _Chem_comp.Vendor_product_code . _Chem_comp.Details . _Chem_comp.DB_query_date . _Chem_comp.DB_last_query_revised_last_date . loop_ _Chem_comp_descriptor.Descriptor _Chem_comp_descriptor.Type _Chem_comp_descriptor.Program _Chem_comp_descriptor.Program_version _Chem_comp_descriptor.Entry_ID _Chem_comp_descriptor.Comp_ID BHPQYMZQTOCNFJ-UHFFFAOYSA-N InChIKey InChI 1.03 27981 CA InChI=1S/Ca/q+2 InChI InChI 1.03 27981 CA [Ca++] SMILES CACTVS 3.341 27981 CA [Ca++] SMILES_CANONICAL CACTVS 3.341 27981 CA [Ca+2] SMILES ACDLabs 10.04 27981 CA [Ca+2] SMILES 'OpenEye OEToolkits' 1.5.0 27981 CA [Ca+2] SMILES_CANONICAL 'OpenEye OEToolkits' 1.5.0 27981 CA stop_ loop_ _Chem_comp_identifier.Identifier _Chem_comp_identifier.Type _Chem_comp_identifier.Program _Chem_comp_identifier.Program_version _Chem_comp_identifier.Entry_ID _Chem_comp_identifier.Comp_ID calcium 'SYSTEMATIC NAME' ACDLabs 10.04 27981 CA 'calcium(+2) cation' 'SYSTEMATIC NAME' 'OpenEye OEToolkits' 1.5.0 27981 CA stop_ loop_ _Chem_comp_atom.Atom_ID _Chem_comp_atom.BMRB_code _Chem_comp_atom.PDB_atom_ID _Chem_comp_atom.Alt_atom_ID _Chem_comp_atom.Auth_atom_ID _Chem_comp_atom.Type_symbol _Chem_comp_atom.Isotope_number _Chem_comp_atom.Chirality _Chem_comp_atom.Stereo_config _Chem_comp_atom.Charge _Chem_comp_atom.Partial_charge _Chem_comp_atom.Oxidation_number _Chem_comp_atom.Unpaired_electron_number _Chem_comp_atom.Align _Chem_comp_atom.Aromatic_flag _Chem_comp_atom.Leaving_atom_flag _Chem_comp_atom.Substruct_code _Chem_comp_atom.Ionizable _Chem_comp_atom.Drawing_2D_coord_x _Chem_comp_atom.Drawing_2D_coord_y _Chem_comp_atom.Model_Cartn_x _Chem_comp_atom.Model_Cartn_x_esd _Chem_comp_atom.Model_Cartn_y _Chem_comp_atom.Model_Cartn_y_esd _Chem_comp_atom.Model_Cartn_z _Chem_comp_atom.Model_Cartn_z_esd _Chem_comp_atom.Model_Cartn_x_ideal _Chem_comp_atom.Model_Cartn_y_ideal _Chem_comp_atom.Model_Cartn_z_ideal _Chem_comp_atom.PDBX_ordinal _Chem_comp_atom.Details _Chem_comp_atom.Entry_ID _Chem_comp_atom.Comp_ID CA CA CA CA . CA . . N 2 . . . 0 no no . . . . 0.000 . 0.000 . 0.000 . 0.000 0.000 0.000 1 . 27981 CA stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 27981 _Sample.ID 1 _Sample.Name . _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '93% H2O/7% 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 'Stromal interaction molecule' '[U-99% 15N]' . . 1 $stromal_interaction_molecule . . 0.2 0.1 0.3 mM . . . . 27981 1 2 TRIS 'natural abundance' . . . . . . 20 . . mM . . . . 27981 1 3 'sodium chloride' 'natural abundance' . . . . . . 100 . . mM . . . . 27981 1 4 'calcium ion' 'natural abundance' . . 2 $entity_CA . . 5 . . mM . . . . 27981 1 stop_ save_ ####################### # Sample conditions # ####################### save_condition_1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode condition_1 _Sample_condition_list.Entry_ID 27981 _Sample_condition_list.ID 1 _Sample_condition_list.Name . _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' 110 . mM 27981 1 pH 7.5 . pH 27981 1 pressure 1 . atm 27981 1 temperature 288 . K 27981 1 stop_ save_ save_condition_2 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode condition_2 _Sample_condition_list.Entry_ID 27981 _Sample_condition_list.ID 2 _Sample_condition_list.Name . _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' 110 . mM 27981 2 pD 7.9 . pD 27981 2 pressure 1 . atm 27981 2 temperature 288 . K 27981 2 stop_ save_ ############################ # Computer software used # ############################ save_TOPSPIN _Software.Sf_category software _Software.Sf_framecode TOPSPIN _Software.Entry_ID 27981 _Software.ID 1 _Software.Type . _Software.Name TOPSPIN _Software.Version . _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Bruker Biospin' . . 27981 1 stop_ loop_ _Task.Software_module _Task.Task _Task.Entry_ID _Task.Software_ID . collection 27981 1 stop_ save_ save_NMRPipe _Software.Sf_category software _Software.Sf_framecode NMRPipe _Software.Entry_ID 27981 _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, Zhengrong and Bax' . . 27981 2 stop_ loop_ _Task.Software_module _Task.Task _Task.Entry_ID _Task.Software_ID . processing 27981 2 stop_ save_ save_NMRDraw _Software.Sf_category software _Software.Sf_framecode NMRDraw _Software.Entry_ID 27981 _Software.ID 3 _Software.Type . _Software.Name NMRDraw _Software.Version . _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Delaglio, Zhengrong and Bax' . . 27981 3 stop_ loop_ _Task.Software_module _Task.Task _Task.Entry_ID _Task.Software_ID . processing 27981 3 stop_ save_ save_NMRView _Software.Sf_category software _Software.Sf_framecode NMRView _Software.Entry_ID 27981 _Software.ID 4 _Software.Type . _Software.Name NMRView _Software.Version . _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Johnson, One Moon Scientific' . . 27981 4 stop_ loop_ _Task.Software_module _Task.Task _Task.Entry_ID _Task.Software_ID . 'chemical shift assignment' 27981 4 . 'data analysis' 27981 4 . 'peak picking' 27981 4 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_1 _NMR_spectrometer.Entry_ID 27981 _NMR_spectrometer.ID 1 _NMR_spectrometer.Name . _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 800 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 27981 _NMR_spectrometer_list.ID 1 _NMR_spectrometer_list.Name . loop_ _NMR_spectrometer_view.ID _NMR_spectrometer_view.Name _NMR_spectrometer_view.Manufacturer _NMR_spectrometer_view.Model _NMR_spectrometer_view.Serial_number _NMR_spectrometer_view.Field_strength _NMR_spectrometer_view.Details _NMR_spectrometer_view.Citation_ID _NMR_spectrometer_view.Citation_label _NMR_spectrometer_view.Entry_ID _NMR_spectrometer_view.NMR_spectrometer_list_ID 1 spectrometer_1 Bruker Avance . 800 . . . 27981 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 27981 _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 $condition_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 27981 1 2 '3D CBCA(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $condition_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 27981 1 3 '3D HNCACB' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $condition_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 27981 1 4 '3D HNCO' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $condition_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 27981 1 5 '2D 1H-13C HSQC' no . . . . . . . . . . 1 $sample_1 isotropic . . 2 $condition_2 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 27981 1 stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference_1 _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chemical_shift_reference_1 _Chem_shift_reference.Entry_ID 27981 _Chem_shift_reference.ID 1 _Chem_shift_reference.Name . _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 0.00 na indirect 0.251449530 . . . . . 27981 1 H 1 DSS 'methyl protons' . . . . ppm 0.00 internal direct 1.000000000 . . . . . 27981 1 N 15 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.101329118 . . . . . 27981 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_holo _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode holo _Assigned_chem_shift_list.Entry_ID 27981 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Name . _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $condition_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 1 '2D 1H-15N HSQC' . . . 27981 1 2 '3D CBCA(CO)NH' . . . 27981 1 3 '3D HNCACB' . . . 27981 1 4 '3D HNCO' . . . 27981 1 5 '2D 1H-13C HSQC' . . . 27981 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_assembly_asym_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 7 7 ASP C C 13 176.1141 0.0000 . 1 . . 81105 . . 7 ASP C . 27981 1 2 . 1 . 1 7 7 ASP CA C 13 54.4512 0.0000 . 1 . . 81107 . . 7 ASP CA . 27981 1 3 . 1 . 1 7 7 ASP CB C 13 41.0234 0.0000 . 1 . . 81111 . . 7 ASP CB . 27981 1 4 . 1 . 1 8 8 ARG H H 1 8.0239 0.0000 . 1 . . 61884 . . 8 ARG H . 27981 1 5 . 1 . 1 8 8 ARG C C 13 176.2734 0.0000 . 1 . . 81696 . . 8 ARG C . 27981 1 6 . 1 . 1 8 8 ARG CA C 13 56.2379 0.0000 . 1 . . 81690 . . 8 ARG CA . 27981 1 7 . 1 . 1 8 8 ARG CB C 13 30.4542 0.0000 . 1 . . 81694 . . 8 ARG CB . 27981 1 8 . 1 . 1 8 8 ARG N N 15 121.1656 0.0000 . 1 . . 61886 . . 8 ARG N . 27981 1 9 . 1 . 1 9 9 VAL H H 1 7.9782 0.0000 . 1 . . 72984 . . 9 VAL H . 27981 1 10 . 1 . 1 9 9 VAL C C 13 176.4430 0.0000 . 1 . . 81481 . . 9 VAL C . 27981 1 11 . 1 . 1 9 9 VAL CA C 13 62.5577 0.0000 . 1 . . 81483 . . 9 VAL CA . 27981 1 12 . 1 . 1 9 9 VAL CB C 13 33.1473 0.0000 . 1 . . 81485 . . 9 VAL CB . 27981 1 13 . 1 . 1 9 9 VAL N N 15 121.6186 0.0000 . 1 . . 72986 . . 9 VAL N . 27981 1 14 . 1 . 1 10 10 THR H H 1 8.1371 0.0000 . 1 . . 59934 . . 10 THR H . 27981 1 15 . 1 . 1 10 10 THR C C 13 174.2282 0.0000 . 1 . . 81706 . . 10 THR C . 27981 1 16 . 1 . 1 10 10 THR CA C 13 61.9057 0.0000 . 1 . . 81710 . . 10 THR CA . 27981 1 17 . 1 . 1 10 10 THR CB C 13 69.8795 0.0000 . 1 . . 81712 . . 10 THR CB . 27981 1 18 . 1 . 1 10 10 THR N N 15 118.9721 0.0000 . 1 . . 59936 . . 10 THR N . 27981 1 19 . 1 . 1 12 12 ASN C C 13 175.0195 0.0000 . 1 . . 66744 . . 12 ASN C . 27981 1 20 . 1 . 1 12 12 ASN CA C 13 53.3679 0.0000 . 1 . . 66739 . . 12 ASN CA . 27981 1 21 . 1 . 1 12 12 ASN CB C 13 38.8958 0.0000 . 1 . . 66742 . . 12 ASN CB . 27981 1 22 . 1 . 1 13 13 VAL H H 1 7.9885 0.0000 . 1 . . 60546 . . 13 VAL H . 27981 1 23 . 1 . 1 13 13 VAL C C 13 175.9751 0.0000 . 1 . . 66743 . . 13 VAL C . 27981 1 24 . 1 . 1 13 13 VAL CA C 13 62.2748 0.0000 . 1 . . 66747 . . 13 VAL CA . 27981 1 25 . 1 . 1 13 13 VAL CB C 13 32.7790 0.0000 . 1 . . 66740 . . 13 VAL CB . 27981 1 26 . 1 . 1 13 13 VAL N N 15 120.4518 0.0000 . 1 . . 60548 . . 13 VAL N . 27981 1 27 . 1 . 1 14 14 GLU H H 1 8.4293 0.0000 . 1 . . 75600 . . 14 GLU H . 27981 1 28 . 1 . 1 14 14 GLU C C 13 176.2735 0.0000 . 1 . . 72966 . . 14 GLU C . 27981 1 29 . 1 . 1 14 14 GLU CA C 13 56.8889 0.0000 . 1 . . 72962 . . 14 GLU CA . 27981 1 30 . 1 . 1 14 14 GLU CB C 13 30.4516 0.0000 . 1 . . 72961 . . 14 GLU CB . 27981 1 31 . 1 . 1 14 14 GLU N N 15 124.7275 0.0000 . 1 . . 75602 . . 14 GLU N . 27981 1 32 . 1 . 1 15 15 VAL H H 1 7.9031 0.0000 . 1 . . 61893 . . 15 VAL H . 27981 1 33 . 1 . 1 15 15 VAL C C 13 175.8298 0.0000 . 1 . . 72964 . . 15 VAL C . 27981 1 34 . 1 . 1 15 15 VAL CA C 13 61.8653 0.0000 . 1 . . 72967 . . 15 VAL CA . 27981 1 35 . 1 . 1 15 15 VAL CB C 13 33.6205 0.0000 . 1 . . 72963 . . 15 VAL CB . 27981 1 36 . 1 . 1 15 15 VAL N N 15 121.0908 0.0000 . 1 . . 61895 . . 15 VAL N . 27981 1 37 . 1 . 1 16 16 THR H H 1 8.0159 0.0000 . 1 . . 63033 . . 16 THR H . 27981 1 38 . 1 . 1 16 16 THR C C 13 175.0663 0.0000 . 1 . . 67285 . . 16 THR C . 27981 1 39 . 1 . 1 16 16 THR CA C 13 60.4069 0.0000 . 1 . . 67287 . . 16 THR CA . 27981 1 40 . 1 . 1 16 16 THR CB C 13 71.7450 0.0000 . 1 . . 67284 . . 16 THR CB . 27981 1 41 . 1 . 1 16 16 THR N N 15 115.4123 0.0000 . 1 . . 63035 . . 16 THR N . 27981 1 42 . 1 . 1 17 17 ALA H H 1 8.6508 0.0000 . 1 . . 59610 . . 17 ALA H . 27981 1 43 . 1 . 1 17 17 ALA C C 13 180.6475 0.0000 . 1 . . 66122 . . 17 ALA C . 27981 1 44 . 1 . 1 17 17 ALA CA C 13 54.8872 0.0000 . 1 . . 66125 . . 17 ALA CA . 27981 1 45 . 1 . 1 17 17 ALA CB C 13 18.0001 0.0000 . 1 . . 66119 . . 17 ALA CB . 27981 1 46 . 1 . 1 17 17 ALA N N 15 124.8731 0.0000 . 1 . . 59612 . . 17 ALA N . 27981 1 47 . 1 . 1 18 18 GLU H H 1 7.9405 0.0000 . 1 . . 60717 . . 18 GLU H . 27981 1 48 . 1 . 1 18 18 GLU C C 13 179.1081 0.0000 . 1 . . 67123 . . 18 GLU C . 27981 1 49 . 1 . 1 18 18 GLU CA C 13 59.2299 0.0000 . 1 . . 67130 . . 18 GLU CA . 27981 1 50 . 1 . 1 18 18 GLU CB C 13 29.3924 0.0000 . 1 . . 67128 . . 18 GLU CB . 27981 1 51 . 1 . 1 18 18 GLU N N 15 117.3557 0.0000 . 1 . . 60719 . . 18 GLU N . 27981 1 52 . 1 . 1 19 19 GLU H H 1 7.4835 0.0000 . 1 . . 63153 . . 19 GLU H . 27981 1 53 . 1 . 1 19 19 GLU C C 13 180.0335 0.0000 . 1 . . 66621 . . 19 GLU C . 27981 1 54 . 1 . 1 19 19 GLU CA C 13 58.7478 0.0000 . 1 . . 66626 . . 19 GLU CA . 27981 1 55 . 1 . 1 19 19 GLU CB C 13 29.8718 0.0000 . 1 . . 66622 . . 19 GLU CB . 27981 1 56 . 1 . 1 19 19 GLU N N 15 120.8610 0.0000 . 1 . . 63155 . . 19 GLU N . 27981 1 57 . 1 . 1 20 20 GLU H H 1 8.2780 0.0000 . 1 . . 59700 . . 20 GLU H . 27981 1 58 . 1 . 1 20 20 GLU C C 13 177.4535 0.0000 . 1 . . 66350 . . 20 GLU C . 27981 1 59 . 1 . 1 20 20 GLU CA C 13 57.4797 0.0000 . 1 . . 74667 . . 20 GLU CA . 27981 1 60 . 1 . 1 20 20 GLU CB C 13 29.1740 0.0000 . 1 . . 66346 . . 20 GLU CB . 27981 1 61 . 1 . 1 20 20 GLU N N 15 122.5152 0.0000 . 1 . . 59702 . . 20 GLU N . 27981 1 62 . 1 . 1 21 21 LYS H H 1 7.2115 0.0000 . 1 . . 70978 . . 21 LYS H . 27981 1 63 . 1 . 1 21 21 LYS C C 13 176.7177 0.0000 . 1 . . 70988 . . 21 LYS C . 27981 1 64 . 1 . 1 21 21 LYS CA C 13 59.5789 0.0000 . 1 . . 70979 . . 21 LYS CA . 27981 1 65 . 1 . 1 21 21 LYS CB C 13 32.7901 0.0000 . 1 . . 70985 . . 21 LYS CB . 27981 1 66 . 1 . 1 21 21 LYS N N 15 118.6037 0.0000 . 1 . . 70980 . . 21 LYS N . 27981 1 67 . 1 . 1 22 22 ILE H H 1 6.7454 0.0000 . 1 . . 63141 . . 22 ILE H . 27981 1 68 . 1 . 1 22 22 ILE C C 13 177.8820 0.0000 . 1 . . 69513 . . 22 ILE C . 27981 1 69 . 1 . 1 22 22 ILE CA C 13 62.0460 0.0000 . 1 . . 69516 . . 22 ILE CA . 27981 1 70 . 1 . 1 22 22 ILE CB C 13 38.1784 0.0000 . 1 . . 69518 . . 22 ILE CB . 27981 1 71 . 1 . 1 22 22 ILE N N 15 114.1716 0.0000 . 1 . . 63143 . . 22 ILE N . 27981 1 72 . 1 . 1 23 23 ARG H H 1 7.1725 0.0000 . 1 . . 61929 . . 23 ARG H . 27981 1 73 . 1 . 1 23 23 ARG C C 13 177.3103 0.0000 . 1 . . 66772 . . 23 ARG C . 27981 1 74 . 1 . 1 23 23 ARG CA C 13 58.7714 0.0000 . 1 . . 66776 . . 23 ARG CA . 27981 1 75 . 1 . 1 23 23 ARG CB C 13 31.0291 0.0000 . 1 . . 66774 . . 23 ARG CB . 27981 1 76 . 1 . 1 23 23 ARG N N 15 120.0825 0.0000 . 1 . . 61931 . . 23 ARG N . 27981 1 77 . 1 . 1 24 24 ASP H H 1 8.6943 0.0000 . 1 . . 59757 . . 24 ASP H . 27981 1 78 . 1 . 1 24 24 ASP C C 13 174.9565 0.0000 . 1 . . 66489 . . 24 ASP C . 27981 1 79 . 1 . 1 24 24 ASP CA C 13 51.3981 0.0000 . 1 . . 66494 . . 24 ASP CA . 27981 1 80 . 1 . 1 24 24 ASP CB C 13 40.0463 0.0000 . 1 . . 66483 . . 24 ASP CB . 27981 1 81 . 1 . 1 24 24 ASP N N 15 121.6252 0.0000 . 1 . . 59759 . . 24 ASP N . 27981 1 82 . 1 . 1 25 25 LYS H H 1 6.9903 0.0000 . 1 . . 63450 . . 25 LYS H . 27981 1 83 . 1 . 1 25 25 LYS C C 13 179.2198 0.0000 . 1 . . 66394 . . 25 LYS C . 27981 1 84 . 1 . 1 25 25 LYS CA C 13 59.9186 0.0000 . 1 . . 66406 . . 25 LYS CA . 27981 1 85 . 1 . 1 25 25 LYS CB C 13 33.0187 0.0000 . 1 . . 66400 . . 25 LYS CB . 27981 1 86 . 1 . 1 25 25 LYS N N 15 122.1060 0.0000 . 1 . . 63452 . . 25 LYS N . 27981 1 87 . 1 . 1 26 26 LEU H H 1 8.4554 0.0000 . 1 . . 60765 . . 26 LEU H . 27981 1 88 . 1 . 1 26 26 LEU C C 13 180.6494 0.0000 . 1 . . 72465 . . 26 LEU C . 27981 1 89 . 1 . 1 26 26 LEU CA C 13 57.3521 0.0000 . 1 . . 72470 . . 26 LEU CA . 27981 1 90 . 1 . 1 26 26 LEU CB C 13 40.5539 0.0000 . 1 . . 72468 . . 26 LEU CB . 27981 1 91 . 1 . 1 26 26 LEU N N 15 116.1965 0.0000 . 1 . . 60767 . . 26 LEU N . 27981 1 92 . 1 . 1 27 27 GLY H H 1 7.5251 0.0000 . 1 . . 63291 . . 27 GLY H . 27981 1 93 . 1 . 1 27 27 GLY C C 13 175.0330 0.0000 . 1 . . 67504 . . 27 GLY C . 27981 1 94 . 1 . 1 27 27 GLY CA C 13 47.8842 0.0000 . 1 . . 67505 . . 27 GLY CA . 27981 1 95 . 1 . 1 27 27 GLY N N 15 112.5403 0.0000 . 1 . . 63293 . . 27 GLY N . 27981 1 96 . 1 . 1 28 28 TYR H H 1 8.2539 0.0000 . 1 . . 63462 . . 28 TYR H . 27981 1 97 . 1 . 1 28 28 TYR C C 13 177.2493 0.0000 . 1 . . 66221 . . 28 TYR C . 27981 1 98 . 1 . 1 28 28 TYR CA C 13 61.3027 0.0000 . 1 . . 66224 . . 28 TYR CA . 27981 1 99 . 1 . 1 28 28 TYR CB C 13 37.2519 0.0000 . 1 . . 66220 . . 28 TYR CB . 27981 1 100 . 1 . 1 28 28 TYR N N 15 123.6666 0.0000 . 1 . . 63464 . . 28 TYR N . 27981 1 101 . 1 . 1 29 29 GLU H H 1 8.4802 0.0000 . 1 . . 59952 . . 29 GLU H . 27981 1 102 . 1 . 1 29 29 GLU C C 13 178.0588 0.0000 . 1 . . 74645 . . 29 GLU C . 27981 1 103 . 1 . 1 29 29 GLU CA C 13 59.4176 0.0000 . 1 . . 74649 . . 29 GLU CA . 27981 1 104 . 1 . 1 29 29 GLU CB C 13 29.6805 0.0000 . 1 . . 74651 . . 29 GLU CB . 27981 1 105 . 1 . 1 29 29 GLU N N 15 118.7272 0.0000 . 1 . . 59954 . . 29 GLU N . 27981 1 106 . 1 . 1 30 30 ALA H H 1 7.3296 0.0000 . 1 . . 61878 . . 30 ALA H . 27981 1 107 . 1 . 1 30 30 ALA C C 13 179.5281 0.0000 . 1 . . 66465 . . 30 ALA C . 27981 1 108 . 1 . 1 30 30 ALA CA C 13 54.9922 0.0000 . 1 . . 66467 . . 30 ALA CA . 27981 1 109 . 1 . 1 30 30 ALA CB C 13 18.3073 0.0000 . 1 . . 66466 . . 30 ALA CB . 27981 1 110 . 1 . 1 30 30 ALA N N 15 121.4605 0.0000 . 1 . . 61880 . . 30 ALA N . 27981 1 111 . 1 . 1 31 31 ILE H H 1 7.8099 0.0000 . 1 . . 59829 . . 31 ILE H . 27981 1 112 . 1 . 1 31 31 ILE C C 13 177.6261 0.0000 . 1 . . 66658 . . 31 ILE C . 27981 1 113 . 1 . 1 31 31 ILE CA C 13 62.2172 0.0000 . 1 . . 66660 . . 31 ILE CA . 27981 1 114 . 1 . 1 31 31 ILE CB C 13 34.5734 0.0000 . 1 . . 66656 . . 31 ILE CB . 27981 1 115 . 1 . 1 31 31 ILE N N 15 120.6258 0.0000 . 1 . . 59831 . . 31 ILE N . 27981 1 116 . 1 . 1 32 32 ARG H H 1 8.4028 0.0000 . 1 . . 63015 . . 32 ARG H . 27981 1 117 . 1 . 1 32 32 ARG C C 13 178.2973 0.0000 . 1 . . 66475 . . 32 ARG C . 27981 1 118 . 1 . 1 32 32 ARG CA C 13 60.2222 0.0000 . 1 . . 66481 . . 32 ARG CA . 27981 1 119 . 1 . 1 32 32 ARG CB C 13 29.5227 0.0000 . 1 . . 66482 . . 32 ARG CB . 27981 1 120 . 1 . 1 32 32 ARG N N 15 121.6754 0.0000 . 1 . . 63017 . . 32 ARG N . 27981 1 121 . 1 . 1 33 33 ASP H H 1 8.2485 0.0000 . 1 . . 63099 . . 33 ASP H . 27981 1 122 . 1 . 1 33 33 ASP C C 13 179.4503 0.0000 . 1 . . 66387 . . 33 ASP C . 27981 1 123 . 1 . 1 33 33 ASP CA C 13 57.6179 0.0000 . 1 . . 66388 . . 33 ASP CA . 27981 1 124 . 1 . 1 33 33 ASP CB C 13 40.4541 0.0000 . 1 . . 74600 . . 33 ASP CB . 27981 1 125 . 1 . 1 33 33 ASP N N 15 122.1062 0.0000 . 1 . . 63101 . . 33 ASP N . 27981 1 126 . 1 . 1 34 34 ILE H H 1 8.3912 0.0000 . 1 . . 59661 . . 34 ILE H . 27981 1 127 . 1 . 1 34 34 ILE C C 13 177.1045 0.0000 . 1 . . 66179 . . 34 ILE C . 27981 1 128 . 1 . 1 34 34 ILE CA C 13 65.3496 0.0000 . 1 . . 66184 . . 34 ILE CA . 27981 1 129 . 1 . 1 34 34 ILE CB C 13 39.0312 0.0000 . 1 . . 66176 . . 34 ILE CB . 27981 1 130 . 1 . 1 34 34 ILE N N 15 123.7072 0.0000 . 1 . . 59663 . . 34 ILE N . 27981 1 131 . 1 . 1 35 35 HIS H H 1 8.4669 0.0000 . 1 . . 61899 . . 35 HIS H . 27981 1 132 . 1 . 1 35 35 HIS C C 13 177.2523 0.0000 . 1 . . 73266 . . 35 HIS C . 27981 1 133 . 1 . 1 35 35 HIS CA C 13 61.5423 0.0000 . 1 . . 73267 . . 35 HIS CA . 27981 1 134 . 1 . 1 35 35 HIS CB C 13 31.6924 0.0000 . 1 . . 73269 . . 35 HIS CB . 27981 1 135 . 1 . 1 35 35 HIS N N 15 120.7589 0.0000 . 1 . . 61901 . . 35 HIS N . 27981 1 136 . 1 . 1 36 36 ARG H H 1 8.4551 0.0000 . 1 . . 60000 . . 36 ARG H . 27981 1 137 . 1 . 1 36 36 ARG C C 13 178.8140 0.0000 . 1 . . 67150 . . 36 ARG C . 27981 1 138 . 1 . 1 36 36 ARG CA C 13 59.3102 0.0000 . 1 . . 71830 . . 36 ARG CA . 27981 1 139 . 1 . 1 36 36 ARG CB C 13 30.2860 0.0000 . 1 . . 67146 . . 36 ARG CB . 27981 1 140 . 1 . 1 36 36 ARG N N 15 117.3281 0.0000 . 1 . . 60002 . . 36 ARG N . 27981 1 141 . 1 . 1 37 37 ASP H H 1 7.3277 0.0000 . 1 . . 60696 . . 37 ASP H . 27981 1 142 . 1 . 1 37 37 ASP C C 13 177.1030 0.0000 . 1 . . 81510 . . 37 ASP C . 27981 1 143 . 1 . 1 37 37 ASP CA C 13 56.4668 0.0000 . 1 . . 81514 . . 37 ASP CA . 27981 1 144 . 1 . 1 37 37 ASP CB C 13 42.2756 0.0000 . 1 . . 81521 . . 37 ASP CB . 27981 1 145 . 1 . 1 37 37 ASP N N 15 118.1103 0.0000 . 1 . . 60698 . . 37 ASP N . 27981 1 146 . 1 . 1 38 38 MET H H 1 7.2204 0.0000 . 1 . . 60051 . . 38 MET H . 27981 1 147 . 1 . 1 38 38 MET C C 13 177.2552 0.0000 . 1 . . 81513 . . 38 MET C . 27981 1 148 . 1 . 1 38 38 MET CA C 13 57.5963 0.0000 . 1 . . 81517 . . 38 MET CA . 27981 1 149 . 1 . 1 38 38 MET CB C 13 34.9486 0.0000 . 1 . . 81525 . . 38 MET CB . 27981 1 150 . 1 . 1 38 38 MET N N 15 115.4107 0.0000 . 1 . . 60053 . . 38 MET N . 27981 1 151 . 1 . 1 39 39 ASP H H 1 7.5860 0.0000 . 1 . . 59925 . . 39 ASP H . 27981 1 152 . 1 . 1 39 39 ASP C C 13 176.5069 0.0000 . 1 . . 66867 . . 39 ASP C . 27981 1 153 . 1 . 1 39 39 ASP CA C 13 52.4896 0.0000 . 1 . . 66871 . . 39 ASP CA . 27981 1 154 . 1 . 1 39 39 ASP CB C 13 39.2320 0.0000 . 1 . . 66868 . . 39 ASP CB . 27981 1 155 . 1 . 1 39 39 ASP N N 15 119.3560 0.0000 . 1 . . 59927 . . 39 ASP N . 27981 1 156 . 1 . 1 40 40 ASP H H 1 7.4043 0.0000 . 1 . . 61779 . . 40 ASP H . 27981 1 157 . 1 . 1 40 40 ASP C C 13 176.5916 0.0000 . 1 . . 76359 . . 40 ASP C . 27981 1 158 . 1 . 1 40 40 ASP CA C 13 57.3141 0.0000 . 1 . . 76361 . . 40 ASP CA . 27981 1 159 . 1 . 1 40 40 ASP CB C 13 40.9899 0.0000 . 1 . . 76363 . . 40 ASP CB . 27981 1 160 . 1 . 1 40 40 ASP N N 15 126.4763 0.0000 . 1 . . 61781 . . 40 ASP N . 27981 1 161 . 1 . 1 41 41 ASP H H 1 7.7826 0.0000 . 1 . . 76091 . . 41 ASP H . 27981 1 162 . 1 . 1 41 41 ASP C C 13 176.8164 0.0000 . 1 . . 67312 . . 41 ASP C . 27981 1 163 . 1 . 1 41 41 ASP CA C 13 52.5225 0.0000 . 1 . . 67310 . . 41 ASP CA . 27981 1 164 . 1 . 1 41 41 ASP CB C 13 39.6116 0.0000 . 1 . . 67308 . . 41 ASP CB . 27981 1 165 . 1 . 1 41 41 ASP N N 15 113.8957 0.0000 . 1 . . 76093 . . 41 ASP N . 27981 1 166 . 1 . 1 42 42 HIS H H 1 8.1195 0.0000 . 1 . . 62070 . . 42 HIS H . 27981 1 167 . 1 . 1 42 42 HIS C C 13 175.1955 0.0000 . 1 . . 67311 . . 42 HIS C . 27981 1 168 . 1 . 1 42 42 HIS CA C 13 56.2497 0.0000 . 1 . . 67313 . . 42 HIS CA . 27981 1 169 . 1 . 1 42 42 HIS CB C 13 26.6732 0.0000 . 1 . . 67309 . . 42 HIS CB . 27981 1 170 . 1 . 1 42 42 HIS N N 15 115.1462 0.0000 . 1 . . 62072 . . 42 HIS N . 27981 1 171 . 1 . 1 43 43 SER H H 1 8.4916 0.0000 . 1 . . 62067 . . 43 SER H . 27981 1 172 . 1 . 1 43 43 SER C C 13 176.4171 0.0000 . 1 . . 67296 . . 43 SER C . 27981 1 173 . 1 . 1 43 43 SER CA C 13 59.8417 0.0000 . 1 . . 67302 . . 43 SER CA . 27981 1 174 . 1 . 1 43 43 SER CB C 13 65.0068 0.0000 . 1 . . 67297 . . 43 SER CB . 27981 1 175 . 1 . 1 43 43 SER N N 15 115.3834 0.0000 . 1 . . 62069 . . 43 SER N . 27981 1 176 . 1 . 1 44 44 GLY H H 1 10.8814 0.0000 . 1 . . 63123 . . 44 GLY H . 27981 1 177 . 1 . 1 44 44 GLY C C 13 173.7831 0.0000 . 1 . . 72093 . . 44 GLY C . 27981 1 178 . 1 . 1 44 44 GLY CA C 13 45.1761 0.0000 . 1 . . 72094 . . 44 GLY CA . 27981 1 179 . 1 . 1 44 44 GLY N N 15 116.7522 0.0000 . 1 . . 63125 . . 44 GLY N . 27981 1 180 . 1 . 1 45 45 SER H H 1 7.8631 0.0000 . 1 . . 69674 . . 45 SER H . 27981 1 181 . 1 . 1 45 45 SER C C 13 172.4067 0.0000 . 1 . . 74442 . . 45 SER C . 27981 1 182 . 1 . 1 45 45 SER CA C 13 56.4791 0.0000 . 1 . . 69781 . . 45 SER CA . 27981 1 183 . 1 . 1 45 45 SER CB C 13 65.4284 0.0000 . 1 . . 69783 . . 45 SER CB . 27981 1 184 . 1 . 1 45 45 SER N N 15 113.5433 0.0000 . 1 . . 69676 . . 45 SER N . 27981 1 185 . 1 . 1 46 46 ILE H H 1 9.4581 0.0000 . 1 . . 63312 . . 46 ILE H . 27981 1 186 . 1 . 1 46 46 ILE C C 13 175.5352 0.0000 . 1 . . 65986 . . 46 ILE C . 27981 1 187 . 1 . 1 46 46 ILE CA C 13 59.9961 0.0000 . 1 . . 65985 . . 46 ILE CA . 27981 1 188 . 1 . 1 46 46 ILE CB C 13 39.8600 0.0000 . 1 . . 67927 . . 46 ILE CB . 27981 1 189 . 1 . 1 46 46 ILE N N 15 130.8417 0.0000 . 1 . . 63314 . . 46 ILE N . 27981 1 190 . 1 . 1 47 47 ASP H H 1 8.6987 0.0000 . 1 . . 63114 . . 47 ASP H . 27981 1 191 . 1 . 1 47 47 ASP C C 13 176.2143 0.0000 . 1 . . 65988 . . 47 ASP C . 27981 1 192 . 1 . 1 47 47 ASP CA C 13 51.9945 0.0000 . 1 . . 65992 . . 47 ASP CA . 27981 1 193 . 1 . 1 47 47 ASP CB C 13 42.6353 0.0000 . 1 . . 65990 . . 47 ASP CB . 27981 1 194 . 1 . 1 47 47 ASP N N 15 130.5559 0.0000 . 1 . . 63116 . . 47 ASP N . 27981 1 195 . 1 . 1 48 48 ARG H H 1 8.4993 0.0000 . 1 . . 62040 . . 48 ARG H . 27981 1 196 . 1 . 1 48 48 ARG C C 13 179.5936 0.0000 . 1 . . 72180 . . 48 ARG C . 27981 1 197 . 1 . 1 48 48 ARG CA C 13 58.6945 0.0000 . 1 . . 72183 . . 48 ARG CA . 27981 1 198 . 1 . 1 48 48 ARG CB C 13 29.5979 0.0000 . 1 . . 72184 . . 48 ARG CB . 27981 1 199 . 1 . 1 48 48 ARG N N 15 116.8268 0.0000 . 1 . . 62042 . . 48 ARG N . 27981 1 200 . 1 . 1 49 49 ASN H H 1 8.2422 0.0000 . 1 . . 59880 . . 49 ASN H . 27981 1 201 . 1 . 1 49 49 ASN C C 13 179.3950 0.0000 . 1 . . 66762 . . 49 ASN C . 27981 1 202 . 1 . 1 49 49 ASN CA C 13 56.2767 0.0000 . 1 . . 66764 . . 49 ASN CA . 27981 1 203 . 1 . 1 49 49 ASN CB C 13 38.2324 0.0000 . 1 . . 74507 . . 49 ASN CB . 27981 1 204 . 1 . 1 49 49 ASN N N 15 120.1865 0.0000 . 1 . . 59882 . . 49 ASN N . 27981 1 205 . 1 . 1 50 50 GLU H H 1 8.8746 0.0000 . 1 . . 61815 . . 50 GLU H . 27981 1 206 . 1 . 1 50 50 GLU C C 13 180.7867 0.0000 . 1 . . 66191 . . 50 GLU C . 27981 1 207 . 1 . 1 50 50 GLU CA C 13 58.8788 0.0000 . 1 . . 66194 . . 50 GLU CA . 27981 1 208 . 1 . 1 50 50 GLU CB C 13 30.1061 0.0000 . 1 . . 81546 . . 50 GLU CB . 27981 1 209 . 1 . 1 50 50 GLU N N 15 123.7244 0.0000 . 1 . . 61817 . . 50 GLU N . 27981 1 210 . 1 . 1 51 51 SER H H 1 9.3743 0.0000 . 1 . . 63696 . . 51 SER H . 27981 1 211 . 1 . 1 51 51 SER CA C 13 62.0641 0.0000 . 1 . . 66655 . . 51 SER CA . 27981 1 212 . 1 . 1 51 51 SER N N 15 120.6421 0.0000 . 1 . . 63698 . . 51 SER N . 27981 1 213 . 1 . 1 52 52 THR C C 13 177.3270 0.0000 . 1 . . 67574 . . 52 THR C . 27981 1 214 . 1 . 1 52 52 THR CA C 13 67.5305 0.0000 . 1 . . 67572 . . 52 THR CA . 27981 1 215 . 1 . 1 52 52 THR CB C 13 68.6158 0.0000 . 1 . . 67572 . . 52 THR CB . 27981 1 216 . 1 . 1 53 53 GLY H H 1 8.0885 0.0000 . 1 . . 62901 . . 53 GLY H . 27981 1 217 . 1 . 1 53 53 GLY C C 13 174.8032 0.0000 . 1 . . 67575 . . 53 GLY C . 27981 1 218 . 1 . 1 53 53 GLY CA C 13 47.5187 0.0000 . 1 . . 67573 . . 53 GLY CA . 27981 1 219 . 1 . 1 53 53 GLY N N 15 110.7813 0.0000 . 1 . . 62903 . . 53 GLY N . 27981 1 220 . 1 . 1 54 54 PHE H H 1 7.9497 0.0000 . 1 . . 59652 . . 54 PHE H . 27981 1 221 . 1 . 1 54 54 PHE C C 13 178.3540 0.0000 . 1 . . 66231 . . 54 PHE C . 27981 1 222 . 1 . 1 54 54 PHE CA C 13 61.3239 0.0000 . 1 . . 66234 . . 54 PHE CA . 27981 1 223 . 1 . 1 54 54 PHE CB C 13 39.8454 0.0000 . 1 . . 66233 . . 54 PHE CB . 27981 1 224 . 1 . 1 54 54 PHE N N 15 123.6812 0.0000 . 1 . . 59654 . . 54 PHE N . 27981 1 225 . 1 . 1 55 55 MET H H 1 8.1145 0.0000 . 1 . . 63060 . . 55 MET H . 27981 1 226 . 1 . 1 55 55 MET C C 13 177.3872 0.0000 . 1 . . 67215 . . 55 MET C . 27981 1 227 . 1 . 1 55 55 MET CA C 13 59.3940 0.0000 . 1 . . 67218 . . 55 MET CA . 27981 1 228 . 1 . 1 55 55 MET CB C 13 35.4094 0.0000 . 1 . . 67216 . . 55 MET CB . 27981 1 229 . 1 . 1 55 55 MET N N 15 116.6402 0.0000 . 1 . . 63062 . . 55 MET N . 27981 1 230 . 1 . 1 56 56 LYS H H 1 8.1710 0.0000 . 1 . . 63150 . . 56 LYS H . 27981 1 231 . 1 . 1 56 56 LYS C C 13 177.7217 0.0000 . 1 . . 76685 . . 56 LYS C . 27981 1 232 . 1 . 1 56 56 LYS CA C 13 59.3794 0.0000 . 1 . . 67089 . . 56 LYS CA . 27981 1 233 . 1 . 1 56 56 LYS CB C 13 34.3570 0.0000 . 1 . . 67088 . . 56 LYS CB . 27981 1 234 . 1 . 1 56 56 LYS N N 15 117.9531 0.0000 . 1 . . 63152 . . 56 LYS N . 27981 1 235 . 1 . 1 57 57 GLU H H 1 8.4363 0.0000 . 1 . . 63147 . . 57 GLU H . 27981 1 236 . 1 . 1 57 57 GLU C C 13 176.5913 0.0000 . 1 . . 67086 . . 57 GLU C . 27981 1 237 . 1 . 1 57 57 GLU CA C 13 57.3631 0.0000 . 1 . . 67085 . . 57 GLU CA . 27981 1 238 . 1 . 1 57 57 GLU CB C 13 29.4250 0.0000 . 1 . . 67082 . . 57 GLU CB . 27981 1 239 . 1 . 1 57 57 GLU N N 15 117.6575 0.0000 . 1 . . 63149 . . 57 GLU N . 27981 1 240 . 1 . 1 58 58 ASP H H 1 8.2381 0.0000 . 1 . . 59865 . . 58 ASP H . 27981 1 241 . 1 . 1 58 58 ASP C C 13 177.7233 0.0000 . 1 . . 66805 . . 58 ASP C . 27981 1 242 . 1 . 1 58 58 ASP CA C 13 56.6691 0.0000 . 1 . . 74549 . . 58 ASP CA . 27981 1 243 . 1 . 1 58 58 ASP CB C 13 39.6998 0.0000 . 1 . . 70636 . . 58 ASP CB . 27981 1 244 . 1 . 1 58 58 ASP N N 15 120.2569 0.0000 . 1 . . 59867 . . 58 ASP N . 27981 1 245 . 1 . 1 59 59 MET H H 1 7.0579 0.0000 . 1 . . 60186 . . 59 MET H . 27981 1 246 . 1 . 1 59 59 MET C C 13 174.4368 0.0000 . 1 . . 68621 . . 59 MET C . 27981 1 247 . 1 . 1 59 59 MET CA C 13 55.5792 0.0000 . 1 . . 68619 . . 59 MET CA . 27981 1 248 . 1 . 1 59 59 MET CB C 13 35.6099 0.0000 . 1 . . 70195 . . 59 MET CB . 27981 1 249 . 1 . 1 59 59 MET N N 15 110.8681 0.0000 . 1 . . 60188 . . 59 MET N . 27981 1 250 . 1 . 1 60 60 GLN H H 1 6.7931 0.0000 . 1 . . 60888 . . 60 GLN H . 27981 1 251 . 1 . 1 60 60 GLN C C 13 175.1109 0.0000 . 1 . . 70176 . . 60 GLN C . 27981 1 252 . 1 . 1 60 60 GLN CA C 13 56.9331 0.0000 . 1 . . 70165 . . 60 GLN CA . 27981 1 253 . 1 . 1 60 60 GLN CB C 13 26.3274 0.0000 . 1 . . 67491 . . 60 GLN CB . 27981 1 254 . 1 . 1 60 60 GLN N N 15 112.9691 0.0000 . 1 . . 60890 . . 60 GLN N . 27981 1 255 . 1 . 1 61 61 MET H H 1 8.3009 0.0000 . 1 . . 61494 . . 61 MET H . 27981 1 256 . 1 . 1 61 61 MET C C 13 176.8629 0.0000 . 1 . . 67006 . . 61 MET C . 27981 1 257 . 1 . 1 61 61 MET CA C 13 55.5898 0.0000 . 1 . . 67005 . . 61 MET CA . 27981 1 258 . 1 . 1 61 61 MET CB C 13 33.8566 0.0000 . 1 . . 67002 . . 61 MET CB . 27981 1 259 . 1 . 1 61 61 MET N N 15 118.4369 0.0000 . 1 . . 61496 . . 61 MET N . 27981 1 260 . 1 . 1 62 62 ARG H H 1 8.7192 0.0000 . 1 . . 63363 . . 62 ARG H . 27981 1 261 . 1 . 1 62 62 ARG C C 13 177.2726 0.0000 . 1 . . 66171 . . 62 ARG C . 27981 1 262 . 1 . 1 62 62 ARG CA C 13 55.4469 0.0000 . 1 . . 66174 . . 62 ARG CA . 27981 1 263 . 1 . 1 62 62 ARG CB C 13 32.0711 0.0000 . 1 . . 66173 . . 62 ARG CB . 27981 1 264 . 1 . 1 62 62 ARG N N 15 124.0012 0.0000 . 1 . . 63365 . . 62 ARG N . 27981 1 265 . 1 . 1 64 64 SER C C 13 176.4689 0.0000 . 1 . . 66506 . . 64 SER C . 27981 1 266 . 1 . 1 64 64 SER CA C 13 60.8431 0.0000 . 1 . . 66505 . . 64 SER CA . 27981 1 267 . 1 . 1 64 64 SER CB C 13 61.2415 0.0000 . 1 . . 78390 . . 64 SER CB . 27981 1 268 . 1 . 1 65 65 GLU H H 1 7.7058 0.0000 . 1 . . 60453 . . 65 GLU H . 27981 1 269 . 1 . 1 65 65 GLU C C 13 178.4179 0.0000 . 1 . . 78209 . . 65 GLU C . 27981 1 270 . 1 . 1 65 65 GLU CA C 13 57.9837 0.0000 . 1 . . 74298 . . 65 GLU CA . 27981 1 271 . 1 . 1 65 65 GLU CB C 13 29.9952 0.0000 . 1 . . 74376 . . 65 GLU CB . 27981 1 272 . 1 . 1 65 65 GLU N N 15 121.6536 0.0000 . 1 . . 60455 . . 65 GLU N . 27981 1 273 . 1 . 1 66 66 ARG H H 1 7.4309 0.0000 . 1 . . 60645 . . 66 ARG H . 27981 1 274 . 1 . 1 66 66 ARG C C 13 177.9653 0.0000 . 1 . . 66948 . . 66 ARG C . 27981 1 275 . 1 . 1 66 66 ARG CA C 13 58.9700 0.0000 . 1 . . 66950 . . 66 ARG CA . 27981 1 276 . 1 . 1 66 66 ARG CB C 13 30.8280 0.0000 . 1 . . 66954 . . 66 ARG CB . 27981 1 277 . 1 . 1 66 66 ARG N N 15 118.6256 0.0000 . 1 . . 60647 . . 66 ARG N . 27981 1 278 . 1 . 1 68 68 ARG C C 13 178.9784 0.0000 . 1 . . 66642 . . 68 ARG C . 27981 1 279 . 1 . 1 68 68 ARG CA C 13 59.1634 0.0000 . 1 . . 66641 . . 68 ARG CA . 27981 1 280 . 1 . 1 68 68 ARG CB C 13 30.1629 0.0000 . 1 . . 76645 . . 68 ARG CB . 27981 1 281 . 1 . 1 69 69 ARG H H 1 6.6100 0.0000 . 1 . . 61269 . . 69 ARG H . 27981 1 282 . 1 . 1 69 69 ARG C C 13 177.4054 0.0000 . 1 . . 66452 . . 69 ARG C . 27981 1 283 . 1 . 1 69 69 ARG CA C 13 59.5823 0.0000 . 1 . . 66449 . . 69 ARG CA . 27981 1 284 . 1 . 1 69 69 ARG CB C 13 30.1566 0.0000 . 1 . . 74247 . . 69 ARG CB . 27981 1 285 . 1 . 1 69 69 ARG N N 15 120.8453 0.0000 . 1 . . 61271 . . 69 ARG N . 27981 1 286 . 1 . 1 70 70 GLU H H 1 8.5715 0.0000 . 1 . . 59745 . . 70 GLU H . 27981 1 287 . 1 . 1 70 70 GLU C C 13 178.4061 0.0000 . 1 . . 66450 . . 70 GLU C . 27981 1 288 . 1 . 1 70 70 GLU CA C 13 60.3187 0.0000 . 1 . . 66451 . . 70 GLU CA . 27981 1 289 . 1 . 1 70 70 GLU CB C 13 29.6335 0.0000 . 1 . . 66448 . . 70 GLU CB . 27981 1 290 . 1 . 1 70 70 GLU N N 15 121.8525 0.0000 . 1 . . 59747 . . 70 GLU N . 27981 1 291 . 1 . 1 71 71 ASN H H 1 7.7323 0.0000 . 1 . . 60033 . . 71 ASN H . 27981 1 292 . 1 . 1 71 71 ASN C C 13 177.9587 0.0000 . 1 . . 67245 . . 71 ASN C . 27981 1 293 . 1 . 1 71 71 ASN CA C 13 55.9711 0.0000 . 1 . . 67247 . . 71 ASN CA . 27981 1 294 . 1 . 1 71 71 ASN CB C 13 38.2971 0.0000 . 1 . . 67244 . . 71 ASN CB . 27981 1 295 . 1 . 1 71 71 ASN N N 15 115.8174 0.0000 . 1 . . 60035 . . 71 ASN N . 27981 1 296 . 1 . 1 72 72 LYS H H 1 7.6843 0.0000 . 1 . . 60534 . . 72 LYS H . 27981 1 297 . 1 . 1 72 72 LYS C C 13 177.8465 0.0000 . 1 . . 66559 . . 72 LYS C . 27981 1 298 . 1 . 1 72 72 LYS CA C 13 58.3276 0.0000 . 1 . . 66563 . . 72 LYS CA . 27981 1 299 . 1 . 1 72 72 LYS CB C 13 33.2318 0.0000 . 1 . . 66560 . . 72 LYS CB . 27981 1 300 . 1 . 1 72 72 LYS N N 15 121.0221 0.0000 . 1 . . 60536 . . 72 LYS N . 27981 1 301 . 1 . 1 73 73 PHE H H 1 8.7678 0.0000 . 1 . . 63222 . . 73 PHE H . 27981 1 302 . 1 . 1 73 73 PHE C C 13 175.8469 0.0000 . 1 . . 79673 . . 73 PHE C . 27981 1 303 . 1 . 1 73 73 PHE CA C 13 61.5960 0.0000 . 1 . . 79676 . . 73 PHE CA . 27981 1 304 . 1 . 1 73 73 PHE CB C 13 41.0208 0.0000 . 1 . . 73513 . . 73 PHE CB . 27981 1 305 . 1 . 1 73 73 PHE N N 15 120.3106 0.0000 . 1 . . 63224 . . 73 PHE N . 27981 1 306 . 1 . 1 74 74 HIS C C 13 177.9747 0.0000 . 1 . . . . . 74 HIS C . 27981 1 307 . 1 . 1 74 74 HIS CA C 13 58.0407 0.0000 . 1 . . . . . 74 HIS CA . 27981 1 308 . 1 . 1 74 74 HIS CB C 13 29.7644 0.0000 . 1 . . . . . 74 HIS CB . 27981 1 309 . 1 . 1 75 75 GLY H H 1 7.9990 0.0000 . 1 . . . . . 75 GLY H . 27981 1 310 . 1 . 1 75 75 GLY C C 13 175.2170 0.0000 . 1 . . . . . 75 GLY C . 27981 1 311 . 1 . 1 75 75 GLY CA C 13 48.0239 0.0000 . 1 . . . . . 75 GLY CA . 27981 1 312 . 1 . 1 75 75 GLY N N 15 111.3370 0.0000 . 1 . . . . . 75 GLY N . 27981 1 313 . 1 . 1 76 76 ASP C C 13 174.8929 0.0000 . 1 . . 66385 . . 76 ASP C . 27981 1 314 . 1 . 1 76 76 ASP CA C 13 53.9914 0.0000 . 1 . . 66380 . . 76 ASP CA . 27981 1 315 . 1 . 1 76 76 ASP CB C 13 41.2332 0.0000 . 1 . . 66382 . . 76 ASP CB . 27981 1 316 . 1 . 1 77 77 ASP H H 1 8.2470 0.0000 . 1 . . 63405 . . 77 ASP H . 27981 1 317 . 1 . 1 77 77 ASP C C 13 175.0011 0.0000 . 1 . . 66384 . . 77 ASP C . 27981 1 318 . 1 . 1 77 77 ASP CA C 13 53.2155 0.0000 . 1 . . 66383 . . 77 ASP CA . 27981 1 319 . 1 . 1 77 77 ASP CB C 13 41.3839 0.0000 . 1 . . 66381 . . 77 ASP CB . 27981 1 320 . 1 . 1 77 77 ASP N N 15 122.2197 0.0000 . 1 . . 63407 . . 77 ASP N . 27981 1 321 . 1 . 1 78 78 ASP H H 1 8.4520 0.0000 . 1 . . 63420 . . 78 ASP H . 27981 1 322 . 1 . 1 78 78 ASP C C 13 175.3436 0.0000 . 1 . . 80183 . . 78 ASP C . 27981 1 323 . 1 . 1 78 78 ASP CA C 13 55.3891 0.0000 . 1 . . 80187 . . 78 ASP CA . 27981 1 324 . 1 . 1 78 78 ASP CB C 13 42.1213 0.0000 . 1 . . 80192 . . 78 ASP CB . 27981 1 325 . 1 . 1 78 78 ASP N N 15 125.1543 0.0000 . 1 . . 63422 . . 78 ASP N . 27981 1 326 . 1 . 1 79 79 ALA H H 1 8.6062 0.0000 . 1 . . 59613 . . 79 ALA H . 27981 1 327 . 1 . 1 79 79 ALA C C 13 175.6580 0.0000 . 1 . . 80184 . . 79 ALA C . 27981 1 328 . 1 . 1 79 79 ALA CA C 13 51.3721 0.0000 . 1 . . 80188 . . 79 ALA CA . 27981 1 329 . 1 . 1 79 79 ALA N N 15 124.8505 0.0000 . 1 . . 59615 . . 79 ALA N . 27981 1 330 . 1 . 1 80 80 ILE H H 1 8.9692 0.0000 . 1 . . 77602 . . 80 ILE H . 27981 1 331 . 1 . 1 80 80 ILE CA C 13 58.7393 0.0000 . 1 . . 66019 . . 80 ILE CA . 27981 1 332 . 1 . 1 80 80 ILE CB C 13 37.3981 0.0000 . 1 . . 77657 . . 80 ILE CB . 27981 1 333 . 1 . 1 80 80 ILE N N 15 129.6740 0.0000 . 1 . . 77604 . . 80 ILE N . 27981 1 334 . 1 . 1 81 81 THR H H 1 9.7303 0.0000 . 1 . . 63174 . . 81 THR H . 27981 1 335 . 1 . 1 81 81 THR C C 13 174.6790 0.0000 . 1 . . 66027 . . 81 THR C . 27981 1 336 . 1 . 1 81 81 THR CA C 13 62.0412 0.0000 . 1 . . 66023 . . 81 THR CA . 27981 1 337 . 1 . 1 81 81 THR CB C 13 71.5589 0.0000 . 1 . . 66020 . . 81 THR CB . 27981 1 338 . 1 . 1 81 81 THR N N 15 127.9317 0.0000 . 1 . . 63176 . . 81 THR N . 27981 1 339 . 1 . 1 82 82 VAL H H 1 8.5362 0.0000 . 1 . . 60426 . . 82 VAL H . 27981 1 340 . 1 . 1 82 82 VAL C C 13 177.1594 0.0000 . 1 . . 66421 . . 82 VAL C . 27981 1 341 . 1 . 1 82 82 VAL CA C 13 67.3375 0.0000 . 1 . . 66417 . . 82 VAL CA . 27981 1 342 . 1 . 1 82 82 VAL CB C 13 31.1136 0.0000 . 1 . . 66411 . . 82 VAL CB . 27981 1 343 . 1 . 1 82 82 VAL N N 15 122.0343 0.0000 . 1 . . 60428 . . 82 VAL N . 27981 1 344 . 1 . 1 83 83 ASP H H 1 7.8008 0.0000 . 1 . . 62907 . . 83 ASP H . 27981 1 345 . 1 . 1 83 83 ASP C C 13 178.6298 0.0000 . 1 . . 66894 . . 83 ASP C . 27981 1 346 . 1 . 1 83 83 ASP CA C 13 57.9605 0.0000 . 1 . . 66891 . . 83 ASP CA . 27981 1 347 . 1 . 1 83 83 ASP CB C 13 40.3977 0.0000 . 1 . . 66889 . . 83 ASP CB . 27981 1 348 . 1 . 1 83 83 ASP N N 15 119.3058 0.0000 . 1 . . 62909 . . 83 ASP N . 27981 1 349 . 1 . 1 84 84 ASP H H 1 7.8680 0.0000 . 1 . . 74111 . . 84 ASP H . 27981 1 350 . 1 . 1 84 84 ASP C C 13 179.1070 0.0000 . 1 . . 74181 . . 84 ASP C . 27981 1 351 . 1 . 1 84 84 ASP CA C 13 57.3253 0.0000 . 1 . . 74193 . . 84 ASP CA . 27981 1 352 . 1 . 1 84 84 ASP CB C 13 41.1765 0.0000 . 1 . . 74169 . . 84 ASP CB . 27981 1 353 . 1 . 1 84 84 ASP N N 15 121.6319 0.0000 . 1 . . 74113 . . 84 ASP N . 27981 1 354 . 1 . 1 85 85 LEU H H 1 7.9278 0.0000 . 1 . . 63558 . . 85 LEU H . 27981 1 355 . 1 . 1 85 85 LEU C C 13 177.8738 0.0000 . 1 . . 80516 . . 85 LEU C . 27981 1 356 . 1 . 1 85 85 LEU CA C 13 57.6153 0.0000 . 1 . . 80510 . . 85 LEU CA . 27981 1 357 . 1 . 1 85 85 LEU CB C 13 42.6523 0.0000 . 1 . . 80514 . . 85 LEU CB . 27981 1 358 . 1 . 1 85 85 LEU N N 15 123.6748 0.0000 . 1 . . 63560 . . 85 LEU N . 27981 1 359 . 1 . 1 86 86 TRP H H 1 9.1348 0.0000 . 1 . . 59901 . . 86 TRP H . 27981 1 360 . 1 . 1 86 86 TRP C C 13 176.5253 0.0000 . 1 . . 66855 . . 86 TRP C . 27981 1 361 . 1 . 1 86 86 TRP CA C 13 60.0321 0.0000 . 1 . . 66863 . . 86 TRP CA . 27981 1 362 . 1 . 1 86 86 TRP CB C 13 29.8863 0.0000 . 1 . . 66858 . . 86 TRP CB . 27981 1 363 . 1 . 1 86 86 TRP N N 15 119.4611 0.0000 . 1 . . 59903 . . 86 TRP N . 27981 1 364 . 1 . 1 87 87 GLU H H 1 8.5026 0.0000 . 1 . . 63864 . . 87 GLU H . 27981 1 365 . 1 . 1 87 87 GLU C C 13 178.0445 0.0000 . 1 . . 71234 . . 87 GLU C . 27981 1 366 . 1 . 1 87 87 GLU CA C 13 60.6378 0.0000 . 1 . . 67095 . . 87 GLU CA . 27981 1 367 . 1 . 1 87 87 GLU CB C 13 29.3488 0.0000 . 1 . . 67094 . . 87 GLU CB . 27981 1 368 . 1 . 1 87 87 GLU N N 15 117.9407 0.0000 . 1 . . 63866 . . 87 GLU N . 27981 1 369 . 1 . 1 88 88 ALA H H 1 7.5310 0.0000 . 1 . . 61917 . . 88 ALA H . 27981 1 370 . 1 . 1 88 88 ALA C C 13 180.4516 0.0000 . 1 . . 73218 . . 88 ALA C . 27981 1 371 . 1 . 1 88 88 ALA CA C 13 54.7326 0.0000 . 1 . . 73221 . . 88 ALA CA . 27981 1 372 . 1 . 1 88 88 ALA CB C 13 17.7767 0.0000 . 1 . . 73217 . . 88 ALA CB . 27981 1 373 . 1 . 1 88 88 ALA N N 15 120.6732 0.0000 . 1 . . 61919 . . 88 ALA N . 27981 1 374 . 1 . 1 89 89 TRP H H 1 8.2045 0.0000 . 1 . . 60480 . . 89 TRP H . 27981 1 375 . 1 . 1 89 89 TRP C C 13 178.5307 0.0000 . 1 . . 66542 . . 89 TRP C . 27981 1 376 . 1 . 1 89 89 TRP CA C 13 58.9273 0.0000 . 1 . . 66545 . . 89 TRP CA . 27981 1 377 . 1 . 1 89 89 TRP CB C 13 29.8687 0.0000 . 1 . . 72895 . . 89 TRP CB . 27981 1 378 . 1 . 1 89 89 TRP N N 15 121.0653 0.0000 . 1 . . 60482 . . 89 TRP N . 27981 1 379 . 1 . 1 90 90 PHE H H 1 8.9793 0.0000 . 1 . . 59832 . . 90 PHE H . 27981 1 380 . 1 . 1 90 90 PHE C C 13 176.6924 0.0000 . 1 . . 66669 . . 90 PHE C . 27981 1 381 . 1 . 1 90 90 PHE CA C 13 60.2698 0.0000 . 1 . . 66675 . . 90 PHE CA . 27981 1 382 . 1 . 1 90 90 PHE CB C 13 38.8391 0.0000 . 1 . . 66672 . . 90 PHE CB . 27981 1 383 . 1 . 1 90 90 PHE N N 15 120.6457 0.0000 . 1 . . 59834 . . 90 PHE N . 27981 1 384 . 1 . 1 91 91 GLU H H 1 7.2476 0.0000 . 1 . . 60777 . . 91 GLU H . 27981 1 385 . 1 . 1 91 91 GLU C C 13 176.1612 0.0000 . 1 . . 72619 . . 91 GLU C . 27981 1 386 . 1 . 1 91 91 GLU CA C 13 55.6190 0.0000 . 1 . . 72621 . . 91 GLU CA . 27981 1 387 . 1 . 1 91 91 GLU CB C 13 29.7350 0.0000 . 1 . . 72618 . . 91 GLU CB . 27981 1 388 . 1 . 1 91 91 GLU N N 15 115.7721 0.0000 . 1 . . 60779 . . 91 GLU N . 27981 1 389 . 1 . 1 92 92 SER H H 1 7.2373 0.0000 . 1 . . 60630 . . 92 SER H . 27981 1 390 . 1 . 1 92 92 SER C C 13 175.3173 0.0000 . 1 . . 66895 . . 92 SER C . 27981 1 391 . 1 . 1 92 92 SER CA C 13 59.5623 0.0000 . 1 . . 66907 . . 92 SER CA . 27981 1 392 . 1 . 1 92 92 SER CB C 13 64.3218 0.0000 . 1 . . 66896 . . 92 SER CB . 27981 1 393 . 1 . 1 92 92 SER N N 15 119.2459 0.0000 . 1 . . 60632 . . 92 SER N . 27981 1 394 . 1 . 1 93 93 ILE H H 1 8.6690 0.0000 . 1 . . 61836 . . 93 ILE H . 27981 1 395 . 1 . 1 93 93 ILE C C 13 179.2205 0.0000 . 1 . . 66363 . . 93 ILE C . 27981 1 396 . 1 . 1 93 93 ILE CA C 13 62.3263 0.0000 . 1 . . 66367 . . 93 ILE CA . 27981 1 397 . 1 . 1 93 93 ILE CB C 13 38.0153 0.0000 . 1 . . 66366 . . 93 ILE CB . 27981 1 398 . 1 . 1 93 93 ILE N N 15 122.5386 0.0000 . 1 . . 61838 . . 93 ILE N . 27981 1 399 . 1 . 1 94 94 GLU H H 1 8.9588 0.0000 . 1 . . 60333 . . 94 GLU H . 27981 1 400 . 1 . 1 94 94 GLU C C 13 176.4494 0.0000 . 1 . . 66154 . . 94 GLU C . 27981 1 401 . 1 . 1 94 94 GLU CA C 13 60.3479 0.0000 . 1 . . 66167 . . 94 GLU CA . 27981 1 402 . 1 . 1 94 94 GLU CB C 13 26.0273 0.0000 . 1 . . 66163 . . 94 GLU CB . 27981 1 403 . 1 . 1 94 94 GLU N N 15 124.1600 0.0000 . 1 . . 60335 . . 94 GLU N . 27981 1 404 . 1 . 1 95 95 ARG H H 1 6.5609 0.0000 . 1 . . 62013 . . 95 ARG H . 27981 1 405 . 1 . 1 95 95 ARG C C 13 176.6148 0.0000 . 1 . . 67028 . . 95 ARG C . 27981 1 406 . 1 . 1 95 95 ARG CA C 13 58.0692 0.0000 . 1 . . 67033 . . 95 ARG CA . 27981 1 407 . 1 . 1 95 95 ARG CB C 13 28.3451 0.0000 . 1 . . 67026 . . 95 ARG CB . 27981 1 408 . 1 . 1 95 95 ARG N N 15 118.2443 0.0000 . 1 . . 62015 . . 95 ARG N . 27981 1 409 . 1 . 1 96 96 THR H H 1 7.0989 0.0000 . 1 . . 60912 . . 96 THR H . 27981 1 410 . 1 . 1 96 96 THR C C 13 175.3125 0.0000 . 1 . . 67603 . . 96 THR C . 27981 1 411 . 1 . 1 96 96 THR CA C 13 61.3093 0.0000 . 1 . . 67608 . . 96 THR CA . 27981 1 412 . 1 . 1 96 96 THR CB C 13 70.1128 0.0000 . 1 . . 67606 . . 96 THR CB . 27981 1 413 . 1 . 1 96 96 THR N N 15 104.6444 0.0000 . 1 . . 60914 . . 96 THR N . 27981 1 414 . 1 . 1 97 97 TRP H H 1 7.6107 0.0000 . 1 . . 61794 . . 97 TRP H . 27981 1 415 . 1 . 1 97 97 TRP C C 13 177.4852 0.0000 . 1 . . 66138 . . 97 TRP C . 27981 1 416 . 1 . 1 97 97 TRP CA C 13 56.1022 0.0000 . 1 . . 66141 . . 97 TRP CA . 27981 1 417 . 1 . 1 97 97 TRP CB C 13 29.8918 0.0000 . 1 . . 66134 . . 97 TRP CB . 27981 1 418 . 1 . 1 97 97 TRP N N 15 124.6551 0.0000 . 1 . . 61796 . . 97 TRP N . 27981 1 419 . 1 . 1 98 98 THR H H 1 7.8662 0.0000 . 1 . . 60876 . . 98 THR H . 27981 1 420 . 1 . 1 98 98 THR C C 13 175.2845 0.0000 . 1 . . 74483 . . 98 THR C . 27981 1 421 . 1 . 1 98 98 THR CA C 13 60.5025 0.0000 . 1 . . 74479 . . 98 THR CA . 27981 1 422 . 1 . 1 98 98 THR CB C 13 72.1145 0.0000 . 1 . . 74482 . . 98 THR CB . 27981 1 423 . 1 . 1 98 98 THR N N 15 113.4950 0.0000 . 1 . . 60878 . . 98 THR N . 27981 1 424 . 1 . 1 99 99 ASN H H 1 9.3622 0.0000 . 1 . . 61914 . . 99 ASN H . 27981 1 425 . 1 . 1 99 99 ASN C C 13 176.4654 0.0000 . 1 . . 73309 . . 99 ASN C . 27981 1 426 . 1 . 1 99 99 ASN CA C 13 58.6235 0.0000 . 1 . . 73312 . . 99 ASN CA . 27981 1 427 . 1 . 1 99 99 ASN CB C 13 41.1859 0.0000 . 1 . . 73308 . . 99 ASN CB . 27981 1 428 . 1 . 1 99 99 ASN N N 15 120.6005 0.0000 . 1 . . 61916 . . 99 ASN N . 27981 1 429 . 1 . 1 100 100 GLU H H 1 8.7581 0.0000 . 1 . . 62043 . . 100 GLU H . 27981 1 430 . 1 . 1 100 100 GLU C C 13 179.0773 0.0000 . 1 . . 72110 . . 100 GLU C . 27981 1 431 . 1 . 1 100 100 GLU CA C 13 60.5662 0.0000 . 1 . . 72115 . . 100 GLU CA . 27981 1 432 . 1 . 1 100 100 GLU CB C 13 28.9907 0.0000 . 1 . . 72112 . . 100 GLU CB . 27981 1 433 . 1 . 1 100 100 GLU N N 15 116.8886 0.0000 . 1 . . 62045 . . 100 GLU N . 27981 1 434 . 1 . 1 101 101 ARG H H 1 7.6271 0.0000 . 1 . . 60381 . . 101 ARG H . 27981 1 435 . 1 . 1 101 101 ARG C C 13 178.5246 0.0000 . 1 . . 66296 . . 101 ARG C . 27981 1 436 . 1 . 1 101 101 ARG CA C 13 57.0388 0.0000 . 1 . . 66301 . . 101 ARG CA . 27981 1 437 . 1 . 1 101 101 ARG CB C 13 29.0386 0.0000 . 1 . . 66300 . . 101 ARG CB . 27981 1 438 . 1 . 1 101 101 ARG N N 15 123.0086 0.0000 . 1 . . 60383 . . 101 ARG N . 27981 1 439 . 1 . 1 102 102 LEU H H 1 8.4607 0.0000 . 1 . . 63294 . . 102 LEU H . 27981 1 440 . 1 . 1 102 102 LEU C C 13 179.0104 0.0000 . 1 . . 66280 . . 102 LEU C . 27981 1 441 . 1 . 1 102 102 LEU CA C 13 58.4607 0.0000 . 1 . . 66284 . . 102 LEU CA . 27981 1 442 . 1 . 1 102 102 LEU CB C 13 42.8888 0.0000 . 1 . . 66277 . . 102 LEU CB . 27981 1 443 . 1 . 1 102 102 LEU N N 15 123.2469 0.0000 . 1 . . 63296 . . 102 LEU N . 27981 1 444 . 1 . 1 103 103 VAL H H 1 8.4498 0.0000 . 1 . . 60564 . . 103 VAL H . 27981 1 445 . 1 . 1 103 103 VAL C C 13 176.8686 0.0000 . 1 . . 73374 . . 103 VAL C . 27981 1 446 . 1 . 1 103 103 VAL CA C 13 68.0367 0.0000 . 1 . . 73378 . . 103 VAL CA . 27981 1 447 . 1 . 1 103 103 VAL CB C 13 31.7101 0.0000 . 1 . . 73376 . . 103 VAL CB . 27981 1 448 . 1 . 1 103 103 VAL N N 15 120.3850 0.0000 . 1 . . 60566 . . 103 VAL N . 27981 1 449 . 1 . 1 104 104 GLU H H 1 7.6398 0.0000 . 1 . . 61935 . . 104 GLU H . 27981 1 450 . 1 . 1 104 104 GLU C C 13 178.4054 0.0000 . 1 . . 66793 . . 104 GLU C . 27981 1 451 . 1 . 1 104 104 GLU CA C 13 59.9132 0.0000 . 1 . . 66796 . . 104 GLU CA . 27981 1 452 . 1 . 1 104 104 GLU CB C 13 29.6562 0.0000 . 1 . . 66792 . . 104 GLU CB . 27981 1 453 . 1 . 1 104 104 GLU N N 15 120.1512 0.0000 . 1 . . 61937 . . 104 GLU N . 27981 1 454 . 1 . 1 105 105 TRP H H 1 7.8572 0.0000 . 1 . . 59751 . . 105 TRP H . 27981 1 455 . 1 . 1 105 105 TRP C C 13 179.2902 0.0000 . 1 . . 66441 . . 105 TRP C . 27981 1 456 . 1 . 1 105 105 TRP CA C 13 60.2825 0.0000 . 1 . . 66447 . . 105 TRP CA . 27981 1 457 . 1 . 1 105 105 TRP CB C 13 28.0593 0.0000 . 1 . . 66446 . . 105 TRP CB . 27981 1 458 . 1 . 1 105 105 TRP N N 15 121.8052 0.0000 . 1 . . 59753 . . 105 TRP N . 27981 1 459 . 1 . 1 106 106 LEU H H 1 8.6238 0.0000 . 1 . . 60432 . . 106 LEU H . 27981 1 460 . 1 . 1 106 106 LEU C C 13 178.7585 0.0000 . 1 . . 74079 . . 106 LEU C . 27981 1 461 . 1 . 1 106 106 LEU CA C 13 57.8641 0.0000 . 1 . . 74083 . . 106 LEU CA . 27981 1 462 . 1 . 1 106 106 LEU CB C 13 41.9122 0.0000 . 1 . . 74082 . . 106 LEU CB . 27981 1 463 . 1 . 1 106 106 LEU N N 15 121.8581 0.0000 . 1 . . 60434 . . 106 LEU N . 27981 1 464 . 1 . 1 107 107 ILE H H 1 8.1482 0.0000 . 1 . . 71035 . . 107 ILE H . 27981 1 465 . 1 . 1 107 107 ILE C C 13 177.7573 0.0000 . 1 . . 71077 . . 107 ILE C . 27981 1 466 . 1 . 1 107 107 ILE CA C 13 65.3657 0.0000 . 1 . . 71075 . . 107 ILE CA . 27981 1 467 . 1 . 1 107 107 ILE CB C 13 39.2835 0.0000 . 1 . . 71081 . . 107 ILE CB . 27981 1 468 . 1 . 1 107 107 ILE N N 15 118.3108 0.0000 . 1 . . 71037 . . 107 ILE N . 27981 1 469 . 1 . 1 108 108 ASN H H 1 8.6030 0.0000 . 1 . . 62052 . . 108 ASN H . 27981 1 470 . 1 . 1 108 108 ASN C C 13 175.6846 0.0000 . 1 . . 72236 . . 108 ASN C . 27981 1 471 . 1 . 1 108 108 ASN CA C 13 55.9669 0.0000 . 1 . . 72238 . . 108 ASN CA . 27981 1 472 . 1 . 1 108 108 ASN CB C 13 39.5648 0.0000 . 1 . . 72235 . . 108 ASN CB . 27981 1 473 . 1 . 1 108 108 ASN N N 15 116.4037 0.0000 . 1 . . 62054 . . 108 ASN N . 27981 1 474 . 1 . 1 109 109 ASP H H 1 8.0290 0.0000 . 1 . . 70859 . . 109 ASP H . 27981 1 475 . 1 . 1 109 109 ASP C C 13 176.2930 0.0000 . 1 . . 70937 . . 109 ASP C . 27981 1 476 . 1 . 1 109 109 ASP CA C 13 56.0926 0.0000 . 1 . . 70932 . . 109 ASP CA . 27981 1 477 . 1 . 1 109 109 ASP CB C 13 42.3740 0.0000 . 1 . . 70936 . . 109 ASP CB . 27981 1 478 . 1 . 1 109 109 ASP N N 15 118.6852 0.0000 . 1 . . 70861 . . 109 ASP N . 27981 1 479 . 1 . 1 110 110 VAL H H 1 7.3265 0.0000 . 1 . . 60693 . . 110 VAL H . 27981 1 480 . 1 . 1 110 110 VAL C C 13 175.3624 0.0000 . 1 . . 67038 . . 110 VAL C . 27981 1 481 . 1 . 1 110 110 VAL CA C 13 63.4887 0.0000 . 1 . . 67047 . . 110 VAL CA . 27981 1 482 . 1 . 1 110 110 VAL CB C 13 30.9443 0.0000 . 1 . . 67041 . . 110 VAL CB . 27981 1 483 . 1 . 1 110 110 VAL N N 15 118.3007 0.0000 . 1 . . 60695 . . 110 VAL N . 27981 1 484 . 1 . 1 111 111 ASN H H 1 6.7843 0.0000 . 1 . . 62970 . . 111 ASN H . 27981 1 485 . 1 . 1 111 111 ASN C C 13 173.8709 0.0000 . 1 . . 67460 . . 111 ASN C . 27981 1 486 . 1 . 1 111 111 ASN CA C 13 53.2180 0.0000 . 1 . . 67463 . . 111 ASN CA . 27981 1 487 . 1 . 1 111 111 ASN CB C 13 36.5734 0.0000 . 1 . . 67459 . . 111 ASN CB . 27981 1 488 . 1 . 1 111 111 ASN N N 15 113.7336 0.0000 . 1 . . 62972 . . 111 ASN N . 27981 1 489 . 1 . 1 112 112 LEU H H 1 7.7445 0.0000 . 1 . . 61965 . . 112 LEU H . 27981 1 490 . 1 . 1 112 112 LEU C C 13 173.2468 0.0000 . 1 . . 66936 . . 112 LEU C . 27981 1 491 . 1 . 1 112 112 LEU CA C 13 51.7230 0.0000 . 1 . . 66947 . . 112 LEU CA . 27981 1 492 . 1 . 1 112 112 LEU CB C 13 43.6763 0.0000 . 1 . . 66941 . . 112 LEU CB . 27981 1 493 . 1 . 1 112 112 LEU N N 15 118.9955 0.0000 . 1 . . 61967 . . 112 LEU N . 27981 1 494 . 1 . 1 114 114 SER C C 13 176.0325 0.0000 . 1 . . 67362 . . 114 SER C . 27981 1 495 . 1 . 1 114 114 SER CA C 13 61.1226 0.0000 . 1 . . 67359 . . 114 SER CA . 27981 1 496 . 1 . 1 114 114 SER CB C 13 62.6225 0.0000 . 1 . . 67360 . . 114 SER CB . 27981 1 497 . 1 . 1 115 115 ILE H H 1 6.8701 0.0000 . 1 . . 60069 . . 115 ILE H . 27981 1 498 . 1 . 1 115 115 ILE C C 13 175.7109 0.0000 . 1 . . 67363 . . 115 ILE C . 27981 1 499 . 1 . 1 115 115 ILE CA C 13 60.7331 0.0000 . 1 . . 67364 . . 115 ILE CA . 27981 1 500 . 1 . 1 115 115 ILE CB C 13 38.4773 0.0000 . 1 . . 67361 . . 115 ILE CB . 27981 1 501 . 1 . 1 115 115 ILE N N 15 114.7041 0.0000 . 1 . . 60071 . . 115 ILE N . 27981 1 502 . 1 . 1 116 116 VAL H H 1 7.2307 0.0000 . 1 . . 60513 . . 116 VAL H . 27981 1 503 . 1 . 1 116 116 VAL C C 13 177.0455 0.0000 . 1 . . 66598 . . 116 VAL C . 27981 1 504 . 1 . 1 116 116 VAL CA C 13 67.4772 0.0000 . 1 . . 66601 . . 116 VAL CA . 27981 1 505 . 1 . 1 116 116 VAL CB C 13 31.7871 0.0000 . 1 . . 66596 . . 116 VAL CB . 27981 1 506 . 1 . 1 116 116 VAL N N 15 121.0652 0.0000 . 1 . . 60515 . . 116 VAL N . 27981 1 507 . 1 . 1 117 117 GLU H H 1 8.6014 0.0000 . 1 . . 61932 . . 117 GLU H . 27981 1 508 . 1 . 1 117 117 GLU C C 13 179.3248 0.0000 . 1 . . 73644 . . 117 GLU C . 27981 1 509 . 1 . 1 117 117 GLU CA C 13 60.2571 0.0000 . 1 . . 73648 . . 117 GLU CA . 27981 1 510 . 1 . 1 117 117 GLU CB C 13 28.5061 0.0000 . 1 . . 73646 . . 117 GLU CB . 27981 1 511 . 1 . 1 117 117 GLU N N 15 120.1960 0.0000 . 1 . . 61934 . . 117 GLU N . 27981 1 512 . 1 . 1 118 118 ALA H H 1 8.0174 0.0000 . 1 . . 59673 . . 118 ALA H . 27981 1 513 . 1 . 1 118 118 ALA C C 13 179.8286 0.0000 . 1 . . 66263 . . 118 ALA C . 27981 1 514 . 1 . 1 118 118 ALA CA C 13 54.9384 0.0000 . 1 . . 66267 . . 118 ALA CA . 27981 1 515 . 1 . 1 118 118 ALA CB C 13 18.3542 0.0000 . 1 . . 66256 . . 118 ALA CB . 27981 1 516 . 1 . 1 118 118 ALA N N 15 123.5148 0.0000 . 1 . . 59675 . . 118 ALA N . 27981 1 517 . 1 . 1 119 119 VAL H H 1 7.7181 0.0000 . 1 . . 63387 . . 119 VAL H . 27981 1 518 . 1 . 1 119 119 VAL C C 13 179.0748 0.0000 . 1 . . 66990 . . 119 VAL C . 27981 1 519 . 1 . 1 119 119 VAL CA C 13 66.8658 0.0000 . 1 . . 66992 . . 119 VAL CA . 27981 1 520 . 1 . 1 119 119 VAL CB C 13 31.7274 0.0000 . 1 . . 66993 . . 119 VAL CB . 27981 1 521 . 1 . 1 119 119 VAL N N 15 118.5023 0.0000 . 1 . . 63389 . . 119 VAL N . 27981 1 522 . 1 . 1 120 120 LYS H H 1 8.7029 0.0000 . 1 . . 59796 . . 120 LYS H . 27981 1 523 . 1 . 1 120 120 LYS C C 13 180.1843 0.0000 . 1 . . 72913 . . 120 LYS C . 27981 1 524 . 1 . 1 120 120 LYS CA C 13 60.1958 0.0000 . 1 . . 72916 . . 120 LYS CA . 27981 1 525 . 1 . 1 120 120 LYS CB C 13 32.9294 0.0000 . 1 . . 72911 . . 120 LYS CB . 27981 1 526 . 1 . 1 120 120 LYS N N 15 121.1083 0.0000 . 1 . . 59798 . . 120 LYS N . 27981 1 527 . 1 . 1 121 121 ALA H H 1 8.1612 0.0000 . 1 . . 59712 . . 121 ALA H . 27981 1 528 . 1 . 1 121 121 ALA C C 13 180.0230 0.0000 . 1 . . 66331 . . 121 ALA C . 27981 1 529 . 1 . 1 121 121 ALA CA C 13 54.9629 0.0000 . 1 . . 66340 . . 121 ALA CA . 27981 1 530 . 1 . 1 121 121 ALA CB C 13 18.3690 0.0000 . 1 . . 66337 . . 121 ALA CB . 27981 1 531 . 1 . 1 121 121 ALA N N 15 122.6188 0.0000 . 1 . . 59714 . . 121 ALA N . 27981 1 532 . 1 . 1 122 122 LYS H H 1 7.6556 0.0000 . 1 . . 60804 . . 122 LYS H . 27981 1 533 . 1 . 1 122 122 LYS C C 13 176.1988 0.0000 . 1 . . 67335 . . 122 LYS C . 27981 1 534 . 1 . 1 122 122 LYS CA C 13 56.0559 0.0000 . 1 . . 67338 . . 122 LYS CA . 27981 1 535 . 1 . 1 122 122 LYS CB C 13 33.7798 0.0000 . 1 . . 67330 . . 122 LYS CB . 27981 1 536 . 1 . 1 122 122 LYS N N 15 114.7543 0.0000 . 1 . . 60806 . . 122 LYS N . 27981 1 537 . 1 . 1 123 123 LYS H H 1 7.7669 0.0000 . 1 . . 60813 . . 123 LYS H . 27981 1 538 . 1 . 1 123 123 LYS C C 13 175.8165 0.0000 . 1 . . 67354 . . 123 LYS C . 27981 1 539 . 1 . 1 123 123 LYS CA C 13 57.7214 0.0000 . 1 . . 67357 . . 123 LYS CA . 27981 1 540 . 1 . 1 123 123 LYS CB C 13 29.0631 0.0000 . 1 . . 67355 . . 123 LYS CB . 27981 1 541 . 1 . 1 123 123 LYS N N 15 114.7542 0.0000 . 1 . . 60815 . . 123 LYS N . 27981 1 542 . 1 . 1 124 124 ILE H H 1 6.8089 0.0000 . 1 . . 69924 . . 124 ILE H . 27981 1 543 . 1 . 1 124 124 ILE C C 13 174.0880 0.0000 . 1 . . 70096 . . 124 ILE C . 27981 1 544 . 1 . 1 124 124 ILE CA C 13 61.6825 0.0000 . 1 . . 70095 . . 124 ILE CA . 27981 1 545 . 1 . 1 124 124 ILE CB C 13 38.5809 0.0000 . 1 . . 70149 . . 124 ILE CB . 27981 1 546 . 1 . 1 124 124 ILE N N 15 112.9607 0.0000 . 1 . . 69926 . . 124 ILE N . 27981 1 547 . 1 . 1 125 125 ASP H H 1 7.9296 0.0000 . 1 . . 60348 . . 125 ASP H . 27981 1 548 . 1 . 1 125 125 ASP C C 13 176.5058 0.0000 . 1 . . 66238 . . 125 ASP C . 27981 1 549 . 1 . 1 125 125 ASP CA C 13 52.4589 0.0000 . 1 . . 66247 . . 125 ASP CA . 27981 1 550 . 1 . 1 125 125 ASP CB C 13 42.5003 0.0000 . 1 . . 66242 . . 125 ASP CB . 27981 1 551 . 1 . 1 125 125 ASP N N 15 123.6801 0.0000 . 1 . . 60350 . . 125 ASP N . 27981 1 552 . 1 . 1 126 126 GLY H H 1 8.9637 0.0000 . 1 . . 63441 . . 126 GLY H . 27981 1 553 . 1 . 1 126 126 GLY C C 13 175.2593 0.0000 . 1 . . 67620 . . 126 GLY C . 27981 1 554 . 1 . 1 126 126 GLY CA C 13 47.5856 0.0000 . 1 . . 67623 . . 126 GLY CA . 27981 1 555 . 1 . 1 126 126 GLY N N 15 104.1866 0.0000 . 1 . . 63443 . . 126 GLY N . 27981 1 556 . 1 . 1 127 127 LYS H H 1 8.0363 0.0000 . 1 . . 71522 . . 127 LYS H . 27981 1 557 . 1 . 1 127 127 LYS C C 13 179.8712 0.0000 . 1 . . 71529 . . 127 LYS C . 27981 1 558 . 1 . 1 127 127 LYS CA C 13 59.6176 0.0000 . 1 . . 71523 . . 127 LYS CA . 27981 1 559 . 1 . 1 127 127 LYS CB C 13 32.1430 0.0000 . 1 . . 71538 . . 127 LYS CB . 27981 1 560 . 1 . 1 127 127 LYS N N 15 117.7057 0.0000 . 1 . . 71524 . . 127 LYS N . 27981 1 561 . 1 . 1 128 128 ILE H H 1 8.4518 0.0000 . 1 . . 59898 . . 128 ILE H . 27981 1 562 . 1 . 1 128 128 ILE C C 13 177.5433 0.0000 . 1 . . 73681 . . 128 ILE C . 27981 1 563 . 1 . 1 128 128 ILE CA C 13 58.2416 0.0000 . 1 . . 73683 . . 128 ILE CA . 27981 1 564 . 1 . 1 128 128 ILE CB C 13 39.7001 0.0000 . 1 . . 73678 . . 128 ILE CB . 27981 1 565 . 1 . 1 128 128 ILE N N 15 119.7918 0.0000 . 1 . . 59900 . . 128 ILE N . 27981 1 566 . 1 . 1 129 129 LEU H H 1 7.3466 0.0000 . 1 . . 61827 . . 129 LEU H . 27981 1 567 . 1 . 1 129 129 LEU C C 13 175.7480 0.0000 . 1 . . 66309 . . 129 LEU C . 27981 1 568 . 1 . 1 129 129 LEU CA C 13 59.9824 0.0000 . 1 . . 66317 . . 129 LEU CA . 27981 1 569 . 1 . 1 129 129 LEU CB C 13 39.8806 0.0000 . 1 . . 66314 . . 129 LEU CB . 27981 1 570 . 1 . 1 129 129 LEU N N 15 122.9955 0.0000 . 1 . . 61829 . . 129 LEU N . 27981 1 571 . 1 . 1 130 130 PRO C C 13 177.1839 0.0000 . 1 . . 70508 . . 130 PRO C . 27981 1 572 . 1 . 1 130 130 PRO CA C 13 66.4250 0.0000 . 1 . . 70511 . . 130 PRO CA . 27981 1 573 . 1 . 1 130 130 PRO CB C 13 32.1194 0.0000 . 1 . . 70520 . . 130 PRO CB . 27981 1 574 . 1 . 1 131 131 ARG H H 1 7.4449 0.0000 . 1 . . 70501 . . 131 ARG H . 27981 1 575 . 1 . 1 131 131 ARG C C 13 179.1652 0.0000 . 1 . . 70505 . . 131 ARG C . 27981 1 576 . 1 . 1 131 131 ARG CA C 13 58.7904 0.0000 . 1 . . 70514 . . 131 ARG CA . 27981 1 577 . 1 . 1 131 131 ARG CB C 13 29.3487 0.0000 . 1 . . 70517 . . 131 ARG CB . 27981 1 578 . 1 . 1 131 131 ARG N N 15 112.7342 0.0000 . 1 . . 70503 . . 131 ARG N . 27981 1 579 . 1 . 1 132 132 PHE H H 1 7.4347 0.0000 . 1 . . 71587 . . 132 PHE H . 27981 1 580 . 1 . 1 132 132 PHE C C 13 177.6615 0.0000 . 1 . . 71688 . . 132 PHE C . 27981 1 581 . 1 . 1 132 132 PHE CA C 13 57.4952 0.0000 . 1 . . 71693 . . 132 PHE CA . 27981 1 582 . 1 . 1 132 132 PHE CB C 13 38.0625 0.0000 . 1 . . 71694 . . 132 PHE CB . 27981 1 583 . 1 . 1 132 132 PHE N N 15 117.5735 0.0000 . 1 . . 71589 . . 132 PHE N . 27981 1 584 . 1 . 1 133 133 ALA H H 1 7.2682 0.0000 . 1 . . 59922 . . 133 ALA H . 27981 1 585 . 1 . 1 133 133 ALA C C 13 176.0717 0.0000 . 1 . . 66874 . . 133 ALA C . 27981 1 586 . 1 . 1 133 133 ALA CA C 13 53.1136 0.0000 . 1 . . 66883 . . 133 ALA CA . 27981 1 587 . 1 . 1 133 133 ALA CB C 13 20.1779 0.0000 . 1 . . 66877 . . 133 ALA CB . 27981 1 588 . 1 . 1 133 133 ALA N N 15 119.2109 0.0000 . 1 . . 59924 . . 133 ALA N . 27981 1 589 . 1 . 1 134 134 SER H H 1 7.1518 0.0000 . 1 . . 60852 . . 134 SER H . 27981 1 590 . 1 . 1 134 134 SER C C 13 173.9724 0.0000 . 1 . . 67446 . . 134 SER C . 27981 1 591 . 1 . 1 134 134 SER CA C 13 55.7384 0.0000 . 1 . . 67452 . . 134 SER CA . 27981 1 592 . 1 . 1 134 134 SER CB C 13 63.7387 0.0000 . 1 . . 67445 . . 134 SER CB . 27981 1 593 . 1 . 1 134 134 SER N N 15 113.8956 0.0000 . 1 . . 60854 . . 134 SER N . 27981 1 594 . 1 . 1 135 135 PRO C C 13 176.9914 0.0000 . 1 . . 67068 . . 135 PRO C . 27981 1 595 . 1 . 1 135 135 PRO CA C 13 64.4186 0.0000 . 1 . . 67065 . . 135 PRO CA . 27981 1 596 . 1 . 1 135 135 PRO CB C 13 31.5686 0.0000 . 1 . . 67066 . . 135 PRO CB . 27981 1 597 . 1 . 1 136 136 ASN H H 1 8.1489 0.0000 . 1 . . 62973 . . 136 ASN H . 27981 1 598 . 1 . 1 136 136 ASN C C 13 175.0049 0.0000 . 1 . . 67067 . . 136 ASN C . 27981 1 599 . 1 . 1 136 136 ASN CA C 13 52.8616 0.0000 . 1 . . 67069 . . 136 ASN CA . 27981 1 600 . 1 . 1 136 136 ASN N N 15 117.9835 0.0000 . 1 . . 62975 . . 136 ASN N . 27981 1 601 . 1 . 1 137 137 SER H H 1 7.5392 0.0000 . 1 . . 80074 . . 137 SER H . 27981 1 602 . 1 . 1 137 137 SER CA C 13 57.8449 0.0000 . 1 . . 80128 . . 137 SER CA . 27981 1 603 . 1 . 1 137 137 SER N N 15 116.0706 0.0000 . 1 . . 80076 . . 137 SER N . 27981 1 604 . 1 . 1 138 138 ASP C C 13 176.9646 0.0000 . 1 . . 66322 . . 138 ASP C . 27981 1 605 . 1 . 1 138 138 ASP CA C 13 54.9120 0.0000 . 1 . . 66320 . . 138 ASP CA . 27981 1 606 . 1 . 1 138 138 ASP CB C 13 41.0749 0.0000 . 1 . . 66319 . . 138 ASP CB . 27981 1 607 . 1 . 1 139 139 PHE H H 1 8.4445 0.0000 . 1 . . 60387 . . 139 PHE H . 27981 1 608 . 1 . 1 139 139 PHE C C 13 177.7573 0.0000 . 1 . . 66318 . . 139 PHE C . 27981 1 609 . 1 . 1 139 139 PHE CA C 13 62.8402 0.0000 . 1 . . 66323 . . 139 PHE CA . 27981 1 610 . 1 . 1 139 139 PHE CB C 13 40.1959 0.0000 . 1 . . 66321 . . 139 PHE CB . 27981 1 611 . 1 . 1 139 139 PHE N N 15 122.6946 0.0000 . 1 . . 60389 . . 139 PHE N . 27981 1 612 . 1 . 1 140 140 LEU H H 1 8.6442 0.0000 . 1 . . 72244 . . 140 LEU H . 27981 1 613 . 1 . 1 140 140 LEU C C 13 177.5461 0.0000 . 1 . . 72368 . . 140 LEU C . 27981 1 614 . 1 . 1 140 140 LEU CA C 13 58.2067 0.0000 . 1 . . 72365 . . 140 LEU CA . 27981 1 615 . 1 . 1 140 140 LEU CB C 13 41.6643 0.0000 . 1 . . 72367 . . 140 LEU CB . 27981 1 616 . 1 . 1 140 140 LEU N N 15 116.5848 0.0000 . 1 . . 72246 . . 140 LEU N . 27981 1 617 . 1 . 1 141 141 ASN H H 1 7.9461 0.0000 . 1 . . 60066 . . 141 ASN H . 27981 1 618 . 1 . 1 141 141 ASN C C 13 176.6001 0.0000 . 1 . . 67346 . . 141 ASN C . 27981 1 619 . 1 . 1 141 141 ASN CA C 13 55.4793 0.0000 . 1 . . 67350 . . 141 ASN CA . 27981 1 620 . 1 . 1 141 141 ASN CB C 13 39.8558 0.0000 . 1 . . 67345 . . 141 ASN CB . 27981 1 621 . 1 . 1 141 141 ASN N N 15 114.6352 0.0000 . 1 . . 60068 . . 141 ASN N . 27981 1 622 . 1 . 1 142 142 LYS H H 1 8.4796 0.0000 . 1 . . 71294 . . 142 LYS H . 27981 1 623 . 1 . 1 142 142 LYS C C 13 178.0345 0.0000 . 1 . . 71447 . . 142 LYS C . 27981 1 624 . 1 . 1 142 142 LYS CA C 13 58.7488 0.0000 . 1 . . 71445 . . 142 LYS CA . 27981 1 625 . 1 . 1 142 142 LYS CB C 13 33.1965 0.0000 . 1 . . 71450 . . 142 LYS CB . 27981 1 626 . 1 . 1 142 142 LYS N N 15 117.5633 0.0000 . 1 . . 71296 . . 142 LYS N . 27981 1 627 . 1 . 1 143 143 GLU H H 1 7.6774 0.0000 . 1 . . 63195 . . 143 GLU H . 27981 1 628 . 1 . 1 143 143 GLU C C 13 178.0668 0.0000 . 1 . . 67175 . . 143 GLU C . 27981 1 629 . 1 . 1 143 143 GLU CA C 13 58.0147 0.0000 . 1 . . 67182 . . 143 GLU CA . 27981 1 630 . 1 . 1 143 143 GLU CB C 13 28.8629 0.0000 . 1 . . 67178 . . 143 GLU CB . 27981 1 631 . 1 . 1 143 143 GLU N N 15 116.9084 0.0000 . 1 . . 63197 . . 143 GLU N . 27981 1 632 . 1 . 1 144 144 LEU H H 1 6.9402 0.0000 . 1 . . 62109 . . 144 LEU H . 27981 1 633 . 1 . 1 144 144 LEU C C 13 177.0913 0.0000 . 1 . . 67405 . . 144 LEU C . 27981 1 634 . 1 . 1 144 144 LEU CA C 13 54.2487 0.0000 . 1 . . 67409 . . 144 LEU CA . 27981 1 635 . 1 . 1 144 144 LEU CB C 13 42.3414 0.0000 . 1 . . 67407 . . 144 LEU CB . 27981 1 636 . 1 . 1 144 144 LEU N N 15 114.3147 0.0000 . 1 . . 62111 . . 144 LEU N . 27981 1 637 . 1 . 1 145 145 GLY H H 1 6.6207 0.0000 . 1 . . 62169 . . 145 GLY H . 27981 1 638 . 1 . 1 145 145 GLY C C 13 174.9230 0.0000 . 1 . . 68738 . . 145 GLY C . 27981 1 639 . 1 . 1 145 145 GLY CA C 13 46.9372 0.0000 . 1 . . 68740 . . 145 GLY CA . 27981 1 640 . 1 . 1 145 145 GLY N N 15 106.8871 0.0000 . 1 . . 62171 . . 145 GLY N . 27981 1 641 . 1 . 1 146 146 ILE H H 1 8.0432 0.0000 . 1 . . 60573 . . 146 ILE H . 27981 1 642 . 1 . 1 146 146 ILE C C 13 175.5199 0.0000 . 1 . . 66754 . . 146 ILE C . 27981 1 643 . 1 . 1 146 146 ILE CA C 13 61.4058 0.0000 . 1 . . 66758 . . 146 ILE CA . 27981 1 644 . 1 . 1 146 146 ILE CB C 13 36.8231 0.0000 . 1 . . 66755 . . 146 ILE CB . 27981 1 645 . 1 . 1 146 146 ILE N N 15 120.3678 0.0000 . 1 . . 60575 . . 146 ILE N . 27981 1 646 . 1 . 1 150 150 VAL C C 13 179.0901 0.0000 . 1 . . 66635 . . 150 VAL C . 27981 1 647 . 1 . 1 150 150 VAL CA C 13 65.7692 0.0000 . 1 . . 66630 . . 150 VAL CA . 27981 1 648 . 1 . 1 150 150 VAL CB C 13 31.9312 0.0000 . 1 . . 66634 . . 150 VAL CB . 27981 1 649 . 1 . 1 151 151 TYR H H 1 7.5761 0.0000 . 1 . . 59817 . . 151 TYR H . 27981 1 650 . 1 . 1 151 151 TYR C C 13 178.1867 0.0000 . 1 . . 66631 . . 151 TYR C . 27981 1 651 . 1 . 1 151 151 TYR CA C 13 57.7602 0.0000 . 1 . . 66636 . . 151 TYR CA . 27981 1 652 . 1 . 1 151 151 TYR CB C 13 36.9707 0.0000 . 1 . . 66628 . . 151 TYR CB . 27981 1 653 . 1 . 1 151 151 TYR N N 15 120.8684 0.0000 . 1 . . 59819 . . 151 TYR N . 27981 1 654 . 1 . 1 152 152 ARG H H 1 8.0111 0.0000 . 1 . . 62001 . . 152 ARG H . 27981 1 655 . 1 . 1 152 152 ARG C C 13 177.8280 0.0000 . 1 . . 71107 . . 152 ARG C . 27981 1 656 . 1 . 1 152 152 ARG CA C 13 61.4229 0.0000 . 1 . . 71102 . . 152 ARG CA . 27981 1 657 . 1 . 1 152 152 ARG CB C 13 30.4077 0.0000 . 1 . . 71097 . . 152 ARG CB . 27981 1 658 . 1 . 1 152 152 ARG N N 15 118.1792 0.0000 . 1 . . 62003 . . 152 ARG N . 27981 1 659 . 1 . 1 153 153 GLN H H 1 7.9950 0.0000 . 1 . . 60648 . . 153 GLN H . 27981 1 660 . 1 . 1 153 153 GLN C C 13 177.7900 0.0000 . 1 . . 66955 . . 153 GLN C . 27981 1 661 . 1 . 1 153 153 GLN CA C 13 59.0621 0.0000 . 1 . . 66963 . . 153 GLN CA . 27981 1 662 . 1 . 1 153 153 GLN CB C 13 28.0362 0.0000 . 1 . . 66960 . . 153 GLN CB . 27981 1 663 . 1 . 1 153 153 GLN N N 15 118.8111 0.0000 . 1 . . 60650 . . 153 GLN N . 27981 1 664 . 1 . 1 154 154 LYS H H 1 7.8208 0.0000 . 1 . . 61944 . . 154 LYS H . 27981 1 665 . 1 . 1 154 154 LYS C C 13 179.8254 0.0000 . 1 . . 66833 . . 154 LYS C . 27981 1 666 . 1 . 1 154 154 LYS CA C 13 59.5853 0.0000 . 1 . . 66839 . . 154 LYS CA . 27981 1 667 . 1 . 1 154 154 LYS CB C 13 33.0197 0.0000 . 1 . . 66830 . . 154 LYS CB . 27981 1 668 . 1 . 1 154 154 LYS N N 15 119.9498 0.0000 . 1 . . 61946 . . 154 LYS N . 27981 1 669 . 1 . 1 155 155 LEU H H 1 8.2977 0.0000 . 1 . . 63135 . . 155 LEU H . 27981 1 670 . 1 . 1 155 155 LEU C C 13 179.6273 0.0000 . 1 . . 66609 . . 155 LEU C . 27981 1 671 . 1 . 1 155 155 LEU CA C 13 57.7474 0.0000 . 1 . . 66616 . . 155 LEU CA . 27981 1 672 . 1 . 1 155 155 LEU CB C 13 41.5722 0.0000 . 1 . . 66615 . . 155 LEU CB . 27981 1 673 . 1 . 1 155 155 LEU N N 15 120.8336 0.0000 . 1 . . 63137 . . 155 LEU N . 27981 1 674 . 1 . 1 156 156 ARG H H 1 8.9312 0.0000 . 1 . . 63240 . . 156 ARG H . 27981 1 675 . 1 . 1 156 156 ARG C C 13 178.3234 0.0000 . 1 . . 66069 . . 156 ARG C . 27981 1 676 . 1 . 1 156 156 ARG CA C 13 60.4495 0.0000 . 1 . . 66075 . . 156 ARG CA . 27981 1 677 . 1 . 1 156 156 ARG CB C 13 30.4592 0.0000 . 1 . . 66062 . . 156 ARG CB . 27981 1 678 . 1 . 1 156 156 ARG N N 15 125.3023 0.0000 . 1 . . 63242 . . 156 ARG N . 27981 1 679 . 1 . 1 157 157 LEU H H 1 8.4576 0.0000 . 1 . . 63090 . . 157 LEU H . 27981 1 680 . 1 . 1 157 157 LEU C C 13 180.1810 0.0000 . 1 . . 66909 . . 157 LEU C . 27981 1 681 . 1 . 1 157 157 LEU CA C 13 58.7625 0.0000 . 1 . . 66917 . . 157 LEU CA . 27981 1 682 . 1 . 1 157 157 LEU CB C 13 41.5791 0.0000 . 1 . . 66913 . . 157 LEU CB . 27981 1 683 . 1 . 1 157 157 LEU N N 15 119.0301 0.0000 . 1 . . 63092 . . 157 LEU N . 27981 1 684 . 1 . 1 158 158 ASN H H 1 8.0633 0.0000 . 1 . . 62037 . . 158 ASN H . 27981 1 685 . 1 . 1 158 158 ASN C C 13 177.8062 0.0000 . 1 . . 67141 . . 158 ASN C . 27981 1 686 . 1 . 1 158 158 ASN CA C 13 57.6394 0.0000 . 1 . . 67158 . . 158 ASN CA . 27981 1 687 . 1 . 1 158 158 ASN CB C 13 40.2203 0.0000 . 1 . . 67156 . . 158 ASN CB . 27981 1 688 . 1 . 1 158 158 ASN N N 15 117.1139 0.0000 . 1 . . 62039 . . 158 ASN N . 27981 1 689 . 1 . 1 159 159 SER H H 1 8.5602 0.0000 . 1 . . 62025 . . 159 SER H . 27981 1 690 . 1 . 1 159 159 SER CA C 13 63.1871 0.0000 . 1 . . 67145 . . 159 SER CA . 27981 1 691 . 1 . 1 159 159 SER CB C 13 62.2127 0.0000 . 1 . . 71800 . . 159 SER CB . 27981 1 692 . 1 . 1 159 159 SER N N 15 117.3303 0.0000 . 1 . . 62027 . . 159 SER N . 27981 1 693 . 1 . 1 160 160 LEU H H 1 8.7957 0.0000 . 1 . . 62982 . . 160 LEU H . 27981 1 694 . 1 . 1 160 160 LEU C C 13 177.3995 0.0000 . 1 . . 77127 . . 160 LEU C . 27981 1 695 . 1 . 1 160 160 LEU CA C 13 58.2975 0.0000 . 1 . . 77129 . . 160 LEU CA . 27981 1 696 . 1 . 1 160 160 LEU CB C 13 43.1325 0.0000 . 1 . . 77133 . . 160 LEU CB . 27981 1 697 . 1 . 1 160 160 LEU N N 15 124.7168 0.0000 . 1 . . 62984 . . 160 LEU N . 27981 1 698 . 1 . 1 161 161 ASP H H 1 7.4359 0.0000 . 1 . . 60009 . . 161 ASP H . 27981 1 699 . 1 . 1 161 161 ASP C C 13 177.3707 0.0000 . 1 . . 77125 . . 161 ASP C . 27981 1 700 . 1 . 1 161 161 ASP CA C 13 57.2925 0.0000 . 1 . . 67171 . . 161 ASP CA . 27981 1 701 . 1 . 1 161 161 ASP CB C 13 41.9619 0.0000 . 1 . . 67169 . . 161 ASP CB . 27981 1 702 . 1 . 1 161 161 ASP N N 15 117.1222 0.0000 . 1 . . 60011 . . 161 ASP N . 27981 1 703 . 1 . 1 162 162 VAL H H 1 7.2310 0.0000 . 1 . . 76964 . . 162 VAL H . 27981 1 704 . 1 . 1 162 162 VAL C C 13 178.1352 0.0000 . 1 . . 77076 . . 162 VAL C . 27981 1 705 . 1 . 1 162 162 VAL CA C 13 66.4481 0.0000 . 1 . . 76998 . . 162 VAL CA . 27981 1 706 . 1 . 1 162 162 VAL CB C 13 32.0086 0.0000 . 1 . . 77061 . . 162 VAL CB . 27981 1 707 . 1 . 1 162 162 VAL N N 15 115.0017 0.0000 . 1 . . 76966 . . 162 VAL N . 27981 1 708 . 1 . 1 163 163 VAL H H 1 8.1773 0.0000 . 1 . . 61941 . . 163 VAL H . 27981 1 709 . 1 . 1 163 163 VAL C C 13 175.5326 0.0000 . 1 . . 74751 . . 163 VAL C . 27981 1 710 . 1 . 1 163 163 VAL CA C 13 65.3347 0.0000 . 1 . . 74755 . . 163 VAL CA . 27981 1 711 . 1 . 1 163 163 VAL CB C 13 31.6403 0.0000 . 1 . . 74757 . . 163 VAL CB . 27981 1 712 . 1 . 1 163 163 VAL N N 15 119.9346 0.0000 . 1 . . 61943 . . 163 VAL N . 27981 1 713 . 1 . 1 164 164 LEU H H 1 7.9114 0.0000 . 1 . . 62961 . . 164 LEU H . 27981 1 714 . 1 . 1 164 164 LEU C C 13 179.2636 0.0000 . 1 . . 69893 . . 164 LEU C . 27981 1 715 . 1 . 1 164 164 LEU CA C 13 56.6702 0.0000 . 1 . . 69894 . . 164 LEU CA . 27981 1 716 . 1 . 1 164 164 LEU CB C 13 40.1804 0.0000 . 1 . . 69891 . . 164 LEU CB . 27981 1 717 . 1 . 1 164 164 LEU N N 15 113.3872 0.0000 . 1 . . 62963 . . 164 LEU N . 27981 1 718 . 1 . 1 165 165 PHE H H 1 7.6529 0.0000 . 1 . . 63306 . . 165 PHE H . 27981 1 719 . 1 . 1 165 165 PHE C C 13 176.5970 0.0000 . 1 . . 69625 . . 165 PHE C . 27981 1 720 . 1 . 1 165 165 PHE CA C 13 55.8374 0.0000 . 1 . . 67440 . . 165 PHE CA . 27981 1 721 . 1 . 1 165 165 PHE CB C 13 40.4676 0.0000 . 1 . . 67439 . . 165 PHE CB . 27981 1 722 . 1 . 1 165 165 PHE N N 15 113.9304 0.0000 . 1 . . 63308 . . 165 PHE N . 27981 1 723 . 1 . 1 166 166 GLY H H 1 7.5988 0.0000 . 1 . . 61563 . . 166 GLY H . 27981 1 724 . 1 . 1 166 166 GLY C C 13 172.1993 0.0000 . 1 . . 67586 . . 166 GLY C . 27981 1 725 . 1 . 1 166 166 GLY CA C 13 44.5662 0.0000 . 1 . . 67590 . . 166 GLY CA . 27981 1 726 . 1 . 1 166 166 GLY N N 15 110.6709 0.0000 . 1 . . 61565 . . 166 GLY N . 27981 1 727 . 1 . 1 167 167 TYR H H 1 8.8965 0.0000 . 1 . . 59775 . . 167 TYR H . 27981 1 728 . 1 . 1 167 167 TYR C C 13 175.5609 0.0000 . 1 . . 66536 . . 167 TYR C . 27981 1 729 . 1 . 1 167 167 TYR CA C 13 58.3139 0.0000 . 1 . . 66539 . . 167 TYR CA . 27981 1 730 . 1 . 1 167 167 TYR CB C 13 40.1293 0.0000 . 1 . . 66533 . . 167 TYR CB . 27981 1 731 . 1 . 1 167 167 TYR N N 15 121.2838 0.0000 . 1 . . 59777 . . 167 TYR N . 27981 1 732 . 1 . 1 168 168 LYS H H 1 7.8688 0.0000 . 1 . . 59565 . . 168 LYS H . 27981 1 733 . 1 . 1 168 168 LYS C C 13 174.3777 0.0000 . 1 . . 66011 . . 168 LYS C . 27981 1 734 . 1 . 1 168 168 LYS CA C 13 55.9663 0.0000 . 1 . . 66016 . . 168 LYS CA . 27981 1 735 . 1 . 1 168 168 LYS CB C 13 33.2775 0.0000 . 1 . . 66000 . . 168 LYS CB . 27981 1 736 . 1 . 1 168 168 LYS N N 15 129.1935 0.0000 . 1 . . 59567 . . 168 LYS N . 27981 1 737 . 1 . 1 169 169 ASP H H 1 7.8109 0.0000 . 1 . . 59682 . . 169 ASP H . 27981 1 738 . 1 . 1 169 169 ASP C C 13 176.2085 0.0000 . 1 . . 66290 . . 169 ASP C . 27981 1 739 . 1 . 1 169 169 ASP CA C 13 54.3014 0.0000 . 1 . . 66295 . . 169 ASP CA . 27981 1 740 . 1 . 1 169 169 ASP CB C 13 41.1552 0.0000 . 1 . . 66287 . . 169 ASP CB . 27981 1 741 . 1 . 1 169 169 ASP N N 15 123.2047 0.0000 . 1 . . 59684 . . 169 ASP N . 27981 1 742 . 1 . 1 170 170 ASN H H 1 8.4331 0.0000 . 1 . . 79979 . . 170 ASN H . 27981 1 743 . 1 . 1 170 170 ASN C C 13 177.8153 0.0000 . 1 . . 81605 . . 170 ASN C . 27981 1 744 . 1 . 1 170 170 ASN CA C 13 53.4340 0.0000 . 1 . . 79998 . . 170 ASN CA . 27981 1 745 . 1 . 1 170 170 ASN CB C 13 37.6332 0.0000 . 1 . . 80027 . . 170 ASN CB . 27981 1 746 . 1 . 1 170 170 ASN N N 15 121.5072 0.0000 . 1 . . 79981 . . 170 ASN N . 27981 1 747 . 1 . 1 174 174 THR C C 13 174.3459 0.0000 . 1 . . 81705 . . 174 THR C . 27981 1 748 . 1 . 1 174 174 THR CA C 13 62.0168 0.0000 . 1 . . 81709 . . 174 THR CA . 27981 1 749 . 1 . 1 174 174 THR CB C 13 69.8546 0.0000 . 1 . . 81713 . . 174 THR CB . 27981 1 750 . 1 . 1 175 175 LYS H H 1 8.2206 0.0000 . 1 . . 60330 . . 175 LYS H . 27981 1 751 . 1 . 1 175 175 LYS C C 13 175.2538 0.0000 . 1 . . 68443 . . 175 LYS C . 27981 1 752 . 1 . 1 175 175 LYS CA C 13 56.2398 0.0000 . 1 . . 68446 . . 175 LYS CA . 27981 1 753 . 1 . 1 175 175 LYS CB C 13 33.2362 0.0000 . 1 . . 68480 . . 175 LYS CB . 27981 1 754 . 1 . 1 175 175 LYS N N 15 124.4999 0.0000 . 1 . . 60332 . . 175 LYS N . 27981 1 755 . 1 . 1 176 176 ASP H H 1 7.8799 0.0000 . 1 . . 61767 . . 176 ASP H . 27981 1 756 . 1 . 1 176 176 ASP C C 13 180.8855 0.0000 . 1 . . 66041 . . 176 ASP C . 27981 1 757 . 1 . 1 176 176 ASP CA C 13 56.0304 0.0000 . 1 . . 66045 . . 176 ASP CA . 27981 1 758 . 1 . 1 176 176 ASP CB C 13 42.2915 0.0000 . 1 . . 66040 . . 176 ASP CB . 27981 1 759 . 1 . 1 176 176 ASP N N 15 127.9463 0.0000 . 1 . . 61769 . . 176 ASP N . 27981 1 stop_ save_