data_18807 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 18807 _Entry.Title ; Chemical shifts for the N-terminal head group of ceSAS-6 ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2012-10-25 _Entry.Accession_date 2012-10-25 _Entry.Last_release_date 2012-10-25 _Entry.Original_release_date 2012-10-25 _Entry.Origination author _Entry.Format_name . _Entry.NMR_STAR_version 3.2.1.32 _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 'chemical shift assignments for the monomeric N-terminal head group of C.elegans SAS-6, residues 1-168 S123E I154E' _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 Michele Erat . C. . . 18807 2 Ioannis Vakonakis . . . . 18807 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 18807 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 472 18807 '15N chemical shifts' 153 18807 '1H chemical shifts' 153 18807 stop_ loop_ _Release.Release_number _Release.Format_type _Release.Format_version _Release.Date _Release.Submission_date _Release.Type _Release.Author _Release.Detail _Release.Entry_ID 1 . . 2019-08-30 . original BMRB . 18807 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 3PYI 'Structure of the N-terminal domain of C. elegans SAS-6' 18807 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 18807 _Citation.ID 1 _Citation.Name . _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 23798409 _Citation.Full_citation . _Citation.Title ; Caenorhabditis elegans centriolar protein SAS-6 forms a spiral that is consistent with imparting a ninefold symmetry ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'Proc. Natl. Acad. Sci. U.S.A.' _Citation.Journal_name_full 'Proceedings of the National Academy of Sciences of the United States of America' _Citation.Journal_volume 110 _Citation.Journal_issue 28 _Citation.Journal_ASTM . _Citation.Journal_ISSN 1091-6490 _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 11373 _Citation.Page_last 11378 _Citation.Year 2013 _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 Manuel Hilbert M. . . . 18807 1 2 Michele Erat M. C. . . 18807 1 3 Virginie Hachet V. . . . 18807 1 4 Paul Guichard P. . . . 18807 1 5 Iris Blank I. D. . . 18807 1 6 Isabelle Fluckiger I. . . . 18807 1 7 Leanne Slater L. . . . 18807 1 8 Edward Lowe E. D. . . 18807 1 9 Georgios Hatzopoulos G. N. . . 18807 1 10 Michel Steinmetz M. O. . . 18807 1 11 Pierre Gonczy P. . . . 18807 1 12 Ioannis Vakonakis I. . . . 18807 1 stop_ loop_ _Citation_keyword.Keyword _Citation_keyword.Entry_ID _Citation_keyword.Citation_ID 'central tube' 18807 1 centriole 18807 1 spiral 18807 1 'structural basis' 18807 1 stop_ save_ save_reference _Citation.Sf_category citations _Citation.Sf_framecode reference _Citation.Entry_ID 18807 _Citation.ID 2 _Citation.Name . _Citation.Class 'reference citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 21277013 _Citation.Full_citation . _Citation.Title ; Structural basis of the 9-fold symmetry of centrioles. ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev Cell _Citation.Journal_name_full . _Citation.Journal_volume 144 _Citation.Journal_issue 3 _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 364 _Citation.Page_last 375 _Citation.Year 2011 _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 Daiju Kitagawa . . . . 18807 2 2 Ioannis Vakonakis . . . . 18807 2 3 Natasha Olieric . . . . 18807 2 4 Manuel Hilbert . . . . 18807 2 5 Deborah Keller . . . . 18807 2 6 Vincent Olieric . . . . 18807 2 7 Miriam Bortfeld . . . . 18807 2 8 Michele Erat . C. . . 18807 2 9 Isabelle Flueckiger . . . . 18807 2 10 Pierre Goenczy . . . . 18807 2 11 Michel Steinmetz . O. . . 18807 2 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 18807 _Assembly.ID 1 _Assembly.Name 'ceN SAS-6' _Assembly.BMRB_code . _Assembly.Number_of_components 1 _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 19425 _Assembly.Enzyme_commission_number . _Assembly.Details monomer _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 'ceN SAS-6' 1 $ce_SAS-6 A . yes native no no . . . 18807 1 stop_ loop_ _Assembly_db_link.Author_supplied _Assembly_db_link.Database_code _Assembly_db_link.Accession_code _Assembly_db_link.Entry_mol_code _Assembly_db_link.Entry_mol_name _Assembly_db_link.Entry_experimental_method _Assembly_db_link.Entry_structure_resolution _Assembly_db_link.Entry_relation_type _Assembly_db_link.Entry_details _Assembly_db_link.Entry_ID _Assembly_db_link.Assembly_ID yes PDB 3PYI . . X-ray 2.1 'N-terminal dimer' 'no electron density for loop between helix a2 and strand b5' 18807 1 stop_ loop_ _Assembly_bio_function.Biological_function _Assembly_bio_function.Entry_ID _Assembly_bio_function.Assembly_ID 'structural part of centriolar central tube' 18807 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_ce_SAS-6 _Entity.Sf_category entity _Entity.Sf_framecode ce_SAS-6 _Entity.Entry_ID 18807 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name ce_SAS-6 _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 ; GSMTSKIALFDQTLIASLLQ PLSLNQPDFKAYKTKVKLKI SEQRNETSGEKELKFEISRS DDFEFLFSETLNNEKYQILA RDHDLTVDFDAFPKVIIQHL LCKNIVKNLEEDGEVDARKK AGYHEIADPGKPTEINIILD AEKNFCSFELFSKTPESKGK IFSIKLHAVR ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq 'G-1, S0, M1-R168' _Entity.Polymer_author_seq_details 'GS N-terminal cloning artefact, S123E, I154E' _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 170 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'all free' _Entity.Src_method . _Entity.Parent_entity_ID . _Entity.Fragment 'ceN SAS-6' _Entity.Mutation 'S123E, I154E' _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 19425 _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 UNP O62479 . SAS6_CAEEL . . . . . . . . . . . . . . 18807 1 2 yes PDB PYI . 'ceN SAS-6' . . . . . . . . . . . . . . 18807 1 stop_ loop_ _Entity_biological_function.Biological_function _Entity_biological_function.Entry_ID _Entity_biological_function.Entity_ID 'centriole assembly' 18807 1 'structural protein' 18807 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 -1 GLY . 18807 1 2 0 SER . 18807 1 3 1 MET . 18807 1 4 2 THR . 18807 1 5 3 SER . 18807 1 6 4 LYS . 18807 1 7 5 ILE . 18807 1 8 6 ALA . 18807 1 9 7 LEU . 18807 1 10 8 PHE . 18807 1 11 9 ASP . 18807 1 12 10 GLN . 18807 1 13 11 THR . 18807 1 14 12 LEU . 18807 1 15 13 ILE . 18807 1 16 14 ALA . 18807 1 17 15 SER . 18807 1 18 16 LEU . 18807 1 19 17 LEU . 18807 1 20 18 GLN . 18807 1 21 19 PRO . 18807 1 22 20 LEU . 18807 1 23 21 SER . 18807 1 24 22 LEU . 18807 1 25 23 ASN . 18807 1 26 24 GLN . 18807 1 27 25 PRO . 18807 1 28 26 ASP . 18807 1 29 27 PHE . 18807 1 30 28 LYS . 18807 1 31 29 ALA . 18807 1 32 30 TYR . 18807 1 33 31 LYS . 18807 1 34 32 THR . 18807 1 35 33 LYS . 18807 1 36 34 VAL . 18807 1 37 35 LYS . 18807 1 38 36 LEU . 18807 1 39 37 LYS . 18807 1 40 38 ILE . 18807 1 41 39 SER . 18807 1 42 40 GLU . 18807 1 43 41 GLN . 18807 1 44 42 ARG . 18807 1 45 43 ASN . 18807 1 46 44 GLU . 18807 1 47 45 THR . 18807 1 48 46 SER . 18807 1 49 47 GLY . 18807 1 50 48 GLU . 18807 1 51 49 LYS . 18807 1 52 50 GLU . 18807 1 53 51 LEU . 18807 1 54 52 LYS . 18807 1 55 53 PHE . 18807 1 56 54 GLU . 18807 1 57 55 ILE . 18807 1 58 56 SER . 18807 1 59 57 ARG . 18807 1 60 58 SER . 18807 1 61 59 ASP . 18807 1 62 60 ASP . 18807 1 63 61 PHE . 18807 1 64 62 GLU . 18807 1 65 63 PHE . 18807 1 66 64 LEU . 18807 1 67 65 PHE . 18807 1 68 66 SER . 18807 1 69 67 GLU . 18807 1 70 68 THR . 18807 1 71 69 LEU . 18807 1 72 70 ASN . 18807 1 73 71 ASN . 18807 1 74 72 GLU . 18807 1 75 73 LYS . 18807 1 76 74 TYR . 18807 1 77 75 GLN . 18807 1 78 76 ILE . 18807 1 79 77 LEU . 18807 1 80 78 ALA . 18807 1 81 79 ARG . 18807 1 82 80 ASP . 18807 1 83 81 HIS . 18807 1 84 82 ASP . 18807 1 85 83 LEU . 18807 1 86 84 THR . 18807 1 87 85 VAL . 18807 1 88 86 ASP . 18807 1 89 87 PHE . 18807 1 90 88 ASP . 18807 1 91 89 ALA . 18807 1 92 90 PHE . 18807 1 93 91 PRO . 18807 1 94 92 LYS . 18807 1 95 93 VAL . 18807 1 96 94 ILE . 18807 1 97 95 ILE . 18807 1 98 96 GLN . 18807 1 99 97 HIS . 18807 1 100 98 LEU . 18807 1 101 99 LEU . 18807 1 102 100 CYS . 18807 1 103 101 LYS . 18807 1 104 102 ASN . 18807 1 105 103 ILE . 18807 1 106 104 VAL . 18807 1 107 105 LYS . 18807 1 108 106 ASN . 18807 1 109 107 LEU . 18807 1 110 108 GLU . 18807 1 111 109 GLU . 18807 1 112 110 ASP . 18807 1 113 111 GLY . 18807 1 114 112 GLU . 18807 1 115 113 VAL . 18807 1 116 114 ASP . 18807 1 117 115 ALA . 18807 1 118 116 ARG . 18807 1 119 117 LYS . 18807 1 120 118 LYS . 18807 1 121 119 ALA . 18807 1 122 120 GLY . 18807 1 123 121 TYR . 18807 1 124 122 HIS . 18807 1 125 123 GLU . 18807 1 126 124 ILE . 18807 1 127 125 ALA . 18807 1 128 126 ASP . 18807 1 129 127 PRO . 18807 1 130 128 GLY . 18807 1 131 129 LYS . 18807 1 132 130 PRO . 18807 1 133 131 THR . 18807 1 134 132 GLU . 18807 1 135 133 ILE . 18807 1 136 134 ASN . 18807 1 137 135 ILE . 18807 1 138 136 ILE . 18807 1 139 137 LEU . 18807 1 140 138 ASP . 18807 1 141 139 ALA . 18807 1 142 140 GLU . 18807 1 143 141 LYS . 18807 1 144 142 ASN . 18807 1 145 143 PHE . 18807 1 146 144 CYS . 18807 1 147 145 SER . 18807 1 148 146 PHE . 18807 1 149 147 GLU . 18807 1 150 148 LEU . 18807 1 151 149 PHE . 18807 1 152 150 SER . 18807 1 153 151 LYS . 18807 1 154 152 THR . 18807 1 155 153 PRO . 18807 1 156 154 GLU . 18807 1 157 155 SER . 18807 1 158 156 LYS . 18807 1 159 157 GLY . 18807 1 160 158 LYS . 18807 1 161 159 ILE . 18807 1 162 160 PHE . 18807 1 163 161 SER . 18807 1 164 162 ILE . 18807 1 165 163 LYS . 18807 1 166 164 LEU . 18807 1 167 165 HIS . 18807 1 168 166 ALA . 18807 1 169 167 VAL . 18807 1 170 168 ARG . 18807 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 18807 1 . SER 2 2 18807 1 . MET 3 3 18807 1 . THR 4 4 18807 1 . SER 5 5 18807 1 . LYS 6 6 18807 1 . ILE 7 7 18807 1 . ALA 8 8 18807 1 . LEU 9 9 18807 1 . PHE 10 10 18807 1 . ASP 11 11 18807 1 . GLN 12 12 18807 1 . THR 13 13 18807 1 . LEU 14 14 18807 1 . ILE 15 15 18807 1 . ALA 16 16 18807 1 . SER 17 17 18807 1 . LEU 18 18 18807 1 . LEU 19 19 18807 1 . GLN 20 20 18807 1 . PRO 21 21 18807 1 . LEU 22 22 18807 1 . SER 23 23 18807 1 . LEU 24 24 18807 1 . ASN 25 25 18807 1 . GLN 26 26 18807 1 . PRO 27 27 18807 1 . ASP 28 28 18807 1 . PHE 29 29 18807 1 . LYS 30 30 18807 1 . ALA 31 31 18807 1 . TYR 32 32 18807 1 . LYS 33 33 18807 1 . THR 34 34 18807 1 . LYS 35 35 18807 1 . VAL 36 36 18807 1 . LYS 37 37 18807 1 . LEU 38 38 18807 1 . LYS 39 39 18807 1 . ILE 40 40 18807 1 . SER 41 41 18807 1 . GLU 42 42 18807 1 . GLN 43 43 18807 1 . ARG 44 44 18807 1 . ASN 45 45 18807 1 . GLU 46 46 18807 1 . THR 47 47 18807 1 . SER 48 48 18807 1 . GLY 49 49 18807 1 . GLU 50 50 18807 1 . LYS 51 51 18807 1 . GLU 52 52 18807 1 . LEU 53 53 18807 1 . LYS 54 54 18807 1 . PHE 55 55 18807 1 . GLU 56 56 18807 1 . ILE 57 57 18807 1 . SER 58 58 18807 1 . ARG 59 59 18807 1 . SER 60 60 18807 1 . ASP 61 61 18807 1 . ASP 62 62 18807 1 . PHE 63 63 18807 1 . GLU 64 64 18807 1 . PHE 65 65 18807 1 . LEU 66 66 18807 1 . PHE 67 67 18807 1 . SER 68 68 18807 1 . GLU 69 69 18807 1 . THR 70 70 18807 1 . LEU 71 71 18807 1 . ASN 72 72 18807 1 . ASN 73 73 18807 1 . GLU 74 74 18807 1 . LYS 75 75 18807 1 . TYR 76 76 18807 1 . GLN 77 77 18807 1 . ILE 78 78 18807 1 . LEU 79 79 18807 1 . ALA 80 80 18807 1 . ARG 81 81 18807 1 . ASP 82 82 18807 1 . HIS 83 83 18807 1 . ASP 84 84 18807 1 . LEU 85 85 18807 1 . THR 86 86 18807 1 . VAL 87 87 18807 1 . ASP 88 88 18807 1 . PHE 89 89 18807 1 . ASP 90 90 18807 1 . ALA 91 91 18807 1 . PHE 92 92 18807 1 . PRO 93 93 18807 1 . LYS 94 94 18807 1 . VAL 95 95 18807 1 . ILE 96 96 18807 1 . ILE 97 97 18807 1 . GLN 98 98 18807 1 . HIS 99 99 18807 1 . LEU 100 100 18807 1 . LEU 101 101 18807 1 . CYS 102 102 18807 1 . LYS 103 103 18807 1 . ASN 104 104 18807 1 . ILE 105 105 18807 1 . VAL 106 106 18807 1 . LYS 107 107 18807 1 . ASN 108 108 18807 1 . LEU 109 109 18807 1 . GLU 110 110 18807 1 . GLU 111 111 18807 1 . ASP 112 112 18807 1 . GLY 113 113 18807 1 . GLU 114 114 18807 1 . VAL 115 115 18807 1 . ASP 116 116 18807 1 . ALA 117 117 18807 1 . ARG 118 118 18807 1 . LYS 119 119 18807 1 . LYS 120 120 18807 1 . ALA 121 121 18807 1 . GLY 122 122 18807 1 . TYR 123 123 18807 1 . HIS 124 124 18807 1 . GLU 125 125 18807 1 . ILE 126 126 18807 1 . ALA 127 127 18807 1 . ASP 128 128 18807 1 . PRO 129 129 18807 1 . GLY 130 130 18807 1 . LYS 131 131 18807 1 . PRO 132 132 18807 1 . THR 133 133 18807 1 . GLU 134 134 18807 1 . ILE 135 135 18807 1 . ASN 136 136 18807 1 . ILE 137 137 18807 1 . ILE 138 138 18807 1 . LEU 139 139 18807 1 . ASP 140 140 18807 1 . ALA 141 141 18807 1 . GLU 142 142 18807 1 . LYS 143 143 18807 1 . ASN 144 144 18807 1 . PHE 145 145 18807 1 . CYS 146 146 18807 1 . SER 147 147 18807 1 . PHE 148 148 18807 1 . GLU 149 149 18807 1 . LEU 150 150 18807 1 . PHE 151 151 18807 1 . SER 152 152 18807 1 . LYS 153 153 18807 1 . THR 154 154 18807 1 . PRO 155 155 18807 1 . GLU 156 156 18807 1 . SER 157 157 18807 1 . LYS 158 158 18807 1 . GLY 159 159 18807 1 . LYS 160 160 18807 1 . ILE 161 161 18807 1 . PHE 162 162 18807 1 . SER 163 163 18807 1 . ILE 164 164 18807 1 . LYS 165 165 18807 1 . LEU 166 166 18807 1 . HIS 167 167 18807 1 . ALA 168 168 18807 1 . VAL 169 169 18807 1 . ARG 170 170 18807 1 stop_ save_ #################### # Natural source # #################### save_natural_source _Entity_natural_src_list.Sf_category natural_source _Entity_natural_src_list.Sf_framecode natural_source _Entity_natural_src_list.Entry_ID 18807 _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 $ce_SAS-6 . 6239 organism . 'Caenorhabditis elegans' Nematodes . . Eukaryota Metazoa Caenorhabditis elegans . . . . . . . . . . . . . 18807 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 18807 _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 $ce_SAS-6 . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli 'BL-21 (DE3)' . . . . . 'modified p15b' . . . 18807 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 18807 _Sample.ID 1 _Sample.Name . _Sample.Type solution _Sample.Sub_type . _Sample.Details '15N enriched' _Sample.Aggregate_sample_number . _Sample.Solvent_system '95% H2O/5% 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 'ce SAS-6' [U-15N] . . 1 $ce_SAS-6 . . 0.5 . . mM . . . . 18807 1 2 H2O 'natural abundance' . . . . . . 95 . . % . . . . 18807 1 3 D2O '[U-100% 2H]' . . . . . . 5 . . % . . . . 18807 1 4 DSS 'natural abundance' . . . . . . 0.1 . . mM . . . . 18807 1 5 'sodium chloride' 'natural abundance' . . . . . . 100 . . mM . . . . 18807 1 6 'sodium phosphate' 'natural abundance' . . . . . . 20 . . mM . . . . 18807 1 stop_ save_ save_sample_2 _Sample.Sf_category sample _Sample.Sf_framecode sample_2 _Sample.Entry_ID 18807 _Sample.ID 2 _Sample.Name . _Sample.Type solution _Sample.Sub_type . _Sample.Details '15N, 13C enriched' _Sample.Aggregate_sample_number . _Sample.Solvent_system '95% H2O/5% 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 'ce SAS-6' '[U-100% 13C; U-100% 15N]' . . 1 $ce_SAS-6 . . 0.5 . . mM . . . . 18807 2 2 H2O 'natural abundance' . . . . . . 95 . . % . . . . 18807 2 3 D2O '[U-100% 2H]' . . . . . . 5 . . % . . . . 18807 2 4 DSS 'natural abundance' . . . . . . 0.1 . . mM . . . . 18807 2 5 'sodium chloride' 'natural abundance' . . . . . . 100 . . mM . . . . 18807 2 6 'potassium phosphate' 'natural abundance' . . . . . . 20 . . mM . . . . 18807 2 stop_ save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode sample_conditions_1 _Sample_condition_list.Entry_ID 18807 _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' 0.1 . M 18807 1 pH 7 . pH 18807 1 pressure 1 . atm 18807 1 temperature 298 . K 18807 1 stop_ save_ ############################ # Computer software used # ############################ save_SPARKY _Software.Sf_category software _Software.Sf_framecode SPARKY _Software.Entry_ID 18807 _Software.ID 1 _Software.Type . _Software.Name SPARKY _Software.Version . _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID Goddard . . 18807 1 stop_ loop_ _Task.Software_module _Task.Task _Task.Entry_ID _Task.Software_ID . 'chemical shift assignment' 18807 1 stop_ save_ save_NMRPipe _Software.Sf_category software _Software.Sf_framecode NMRPipe _Software.Entry_ID 18807 _Software.ID 2 _Software.Type . _Software.Name NMRPipe _Software.Version . _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax' . . 18807 2 stop_ loop_ _Task.Software_module _Task.Task _Task.Entry_ID _Task.Software_ID . processing 18807 2 stop_ save_ save_TOPSPIN _Software.Sf_category software _Software.Sf_framecode TOPSPIN _Software.Entry_ID 18807 _Software.ID 3 _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' . . 18807 3 stop_ loop_ _Task.Software_module _Task.Task _Task.Entry_ID _Task.Software_ID . collection 18807 3 stop_ save_ save_Omega_Spectrometer_Operating_Software_Beta_6.03b2 _Software.Sf_category software _Software.Sf_framecode Omega_Spectrometer_Operating_Software_Beta_6.03b2 _Software.Entry_ID 18807 _Software.ID 4 _Software.Type . _Software.Name Omega_Spectrometer_Operating_Software_Beta_6.03b2 _Software.Version . _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID GE . . 18807 4 stop_ loop_ _Task.Software_module _Task.Task _Task.Entry_ID _Task.Software_ID . collection 18807 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 18807 _NMR_spectrometer.ID 1 _NMR_spectrometer.Name . _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer GE/home-built _NMR_spectrometer.Model OMEGA _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ save_spectrometer_2 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_2 _NMR_spectrometer.Entry_ID 18807 _NMR_spectrometer.ID 2 _NMR_spectrometer.Name . _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 500 save_ save_NMR_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode NMR_spectrometer_list _NMR_spectrometer_list.Entry_ID 18807 _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 GE/home-built OMEGA . 600 . . . 18807 1 2 spectrometer_2 Bruker Avance . 500 . . . 18807 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 18807 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NMR_spec_expt_ID _Experiment.NMR_spec_expt_label _Experiment.MS_expt_ID _Experiment.MS_expt_label _Experiment.SAXS_expt_ID _Experiment.SAXS_expt_label _Experiment.FRET_expt_ID _Experiment.FRET_expt_label _Experiment.EMR_expt_ID _Experiment.EMR_expt_label _Experiment.Sample_ID _Experiment.Sample_label _Experiment.Sample_state _Experiment.Sample_volume _Experiment.Sample_volume_units _Experiment.Sample_condition_list_ID _Experiment.Sample_condition_list_label _Experiment.Sample_spinning_rate _Experiment.Sample_angle _Experiment.NMR_tube_type _Experiment.NMR_spectrometer_ID _Experiment.NMR_spectrometer_label _Experiment.NMR_spectrometer_probe_ID _Experiment.NMR_spectrometer_probe_label _Experiment.NMR_spectral_processing_ID _Experiment.NMR_spectral_processing_label _Experiment.Mass_spectrometer_ID _Experiment.Mass_spectrometer_label _Experiment.Xray_instrument_ID _Experiment.Xray_instrument_label _Experiment.Fluorescence_instrument_ID _Experiment.Fluorescence_instrument_label _Experiment.EMR_instrument_ID _Experiment.EMR_instrument_label _Experiment.Chromatographic_system_ID _Experiment.Chromatographic_system_label _Experiment.Chromatographic_column_ID _Experiment.Chromatographic_column_label _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 '2D 1H-15N HSQC' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 18807 1 2 '3D HNCA' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 18807 1 3 '3D HNCACB' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 18807 1 4 '3D CBCA(CO)NH' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 18807 1 5 '3D CBCANH' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 18807 1 6 HNCO no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 18807 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 18807 _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 . . . . . 18807 1 H 1 DSS 'methyl protons' . . . . ppm 0.00 internal direct 1.000000000 . . . . . 18807 1 N 15 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.101329118 . . . . . 18807 1 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_assigned_chem_shift_list_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chem_shift_list_1 _Assigned_chem_shift_list.Entry_ID 18807 _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 $sample_conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 2 '3D HNCA' . . . 18807 1 3 '3D HNCACB' . . . 18807 1 4 '3D CBCA(CO)NH' . . . 18807 1 5 '3D CBCANH' . . . 18807 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Ambiguity_set_ID _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 1 3 3 MET C C 13 176.591 0.2 . 1 . . . . . 1 MET CO . 18807 1 2 . 1 1 3 3 MET CA C 13 55.67 0.2 . 1 . . . . . 1 MET CA . 18807 1 3 . 1 1 3 3 MET CB C 13 32.6 0.2 . 1 . . . . . 1 MET CB . 18807 1 4 . 1 1 4 4 THR H H 1 8.259 0.02 . 1 . . . . . 2 THR HN . 18807 1 5 . 1 1 4 4 THR C C 13 174.502 0.2 . 1 . . . . . 2 THR CO . 18807 1 6 . 1 1 4 4 THR CA C 13 61.92 0.2 . 1 . . . . . 2 THR CA . 18807 1 7 . 1 1 4 4 THR CB C 13 69.78 0.2 . 1 . . . . . 2 THR CB . 18807 1 8 . 1 1 4 4 THR N N 15 115.2 0.2 . 1 . . . . . 2 THR N . 18807 1 9 . 1 1 5 5 SER H H 1 8.382 0.02 . 1 . . . . . 3 SER HN . 18807 1 10 . 1 1 5 5 SER C C 13 173.944 0.2 . 1 . . . . . 3 SER CO . 18807 1 11 . 1 1 5 5 SER CA C 13 58.43 0.2 . 1 . . . . . 3 SER CA . 18807 1 12 . 1 1 5 5 SER CB C 13 63.9 0.2 . 1 . . . . . 3 SER CB . 18807 1 13 . 1 1 5 5 SER N N 15 118.3 0.2 . 1 . . . . . 3 SER N . 18807 1 14 . 1 1 6 6 LYS H H 1 8.259 0.02 . 1 . . . . . 4 LYS HN . 18807 1 15 . 1 1 6 6 LYS C C 13 176.128 0.2 . 1 . . . . . 4 LYS CO . 18807 1 16 . 1 1 6 6 LYS CA C 13 56.16 0.2 . 1 . . . . . 4 LYS CA . 18807 1 17 . 1 1 6 6 LYS CB C 13 33.64 0.2 . 1 . . . . . 4 LYS CB . 18807 1 18 . 1 1 6 6 LYS N N 15 123.6 0.2 . 1 . . . . . 4 LYS N . 18807 1 19 . 1 1 7 7 ILE H H 1 8.679 0.02 . 1 . . . . . 5 ILE HN . 18807 1 20 . 1 1 7 7 ILE C C 13 175.397 0.2 . 1 . . . . . 5 ILE CO . 18807 1 21 . 1 1 7 7 ILE CA C 13 60.27 0.2 . 1 . . . . . 5 ILE CA . 18807 1 22 . 1 1 7 7 ILE CB C 13 40.23 0.2 . 1 . . . . . 5 ILE CB . 18807 1 23 . 1 1 7 7 ILE N N 15 124.1 0.2 . 1 . . . . . 5 ILE N . 18807 1 24 . 1 1 8 8 ALA H H 1 8.757 0.02 . 1 . . . . . 6 ALA HN . 18807 1 25 . 1 1 8 8 ALA C C 13 176.904 0.2 . 1 . . . . . 6 ALA CO . 18807 1 26 . 1 1 8 8 ALA CA C 13 52.25 0.2 . 1 . . . . . 6 ALA CA . 18807 1 27 . 1 1 8 8 ALA CB C 13 18.37 0.2 . 1 . . . . . 6 ALA CB . 18807 1 28 . 1 1 8 8 ALA N N 15 129.3 0.2 . 1 . . . . . 6 ALA N . 18807 1 29 . 1 1 9 9 LEU H H 1 8.726 0.02 . 1 . . . . . 7 LEU HN . 18807 1 30 . 1 1 9 9 LEU C C 13 177.04 0.2 . 1 . . . . . 7 LEU CO . 18807 1 31 . 1 1 9 9 LEU CA C 13 55.81 0.2 . 1 . . . . . 7 LEU CA . 18807 1 32 . 1 1 9 9 LEU CB C 13 42.96 0.2 . 1 . . . . . 7 LEU CB . 18807 1 33 . 1 1 9 9 LEU N N 15 124 0.2 . 1 . . . . . 7 LEU N . 18807 1 34 . 1 1 10 10 PHE H H 1 7.849 0.02 . 1 . . . . . 8 PHE HN . 18807 1 35 . 1 1 10 10 PHE C C 13 173.529 0.2 . 1 . . . . . 8 PHE CO . 18807 1 36 . 1 1 10 10 PHE CA C 13 57.76 0.2 . 1 . . . . . 8 PHE CA . 18807 1 37 . 1 1 10 10 PHE CB C 13 43.42 0.2 . 1 . . . . . 8 PHE CB . 18807 1 38 . 1 1 10 10 PHE N N 15 118.1 0.2 . 1 . . . . . 8 PHE N . 18807 1 39 . 1 1 11 11 ASP H H 1 8.322 0.02 . 1 . . . . . 9 ASP HN . 18807 1 40 . 1 1 11 11 ASP C C 13 174.4 0.2 . 1 . . . . . 9 ASP CO . 18807 1 41 . 1 1 11 11 ASP CA C 13 53.81 0.2 . 1 . . . . . 9 ASP CA . 18807 1 42 . 1 1 11 11 ASP CB C 13 40.68 0.2 . 1 . . . . . 9 ASP CB . 18807 1 43 . 1 1 11 11 ASP N N 15 129.4 0.2 . 1 . . . . . 9 ASP N . 18807 1 44 . 1 1 12 12 GLN H H 1 8.04 0.02 . 1 . . . . . 10 GLN HN . 18807 1 45 . 1 1 12 12 GLN C C 13 174.523 0.2 . 1 . . . . . 10 GLN CO . 18807 1 46 . 1 1 12 12 GLN CA C 13 54.39 0.2 . 1 . . . . . 10 GLN CA . 18807 1 47 . 1 1 12 12 GLN CB C 13 33.48 0.2 . 1 . . . . . 10 GLN CB . 18807 1 48 . 1 1 12 12 GLN N N 15 120.31 0.2 . 1 . . . . . 10 GLN N . 18807 1 49 . 1 1 13 13 THR H H 1 8.605 0.02 . 1 . . . . . 11 THR HN . 18807 1 50 . 1 1 13 13 THR C C 13 173.996 0.2 . 1 . . . . . 11 THR CO . 18807 1 51 . 1 1 13 13 THR CA C 13 62.72 0.2 . 1 . . . . . 11 THR CA . 18807 1 52 . 1 1 13 13 THR CB C 13 69.26 0.2 . 1 . . . . . 11 THR CB . 18807 1 53 . 1 1 13 13 THR N N 15 118.5 0.2 . 1 . . . . . 11 THR N . 18807 1 54 . 1 1 14 14 LEU H H 1 9.632 0.02 . 1 . . . . . 12 LEU HN . 18807 1 55 . 1 1 14 14 LEU C C 13 175.4 0.2 . 1 . . . . . 12 LEU CO . 18807 1 56 . 1 1 14 14 LEU CA C 13 53.38 0.2 . 1 . . . . . 12 LEU CA . 18807 1 57 . 1 1 14 14 LEU CB C 13 45.64 0.2 . 1 . . . . . 12 LEU CB . 18807 1 58 . 1 1 14 14 LEU N N 15 127.1 0.2 . 1 . . . . . 12 LEU N . 18807 1 59 . 1 1 15 15 ILE H H 1 8.441 0.02 . 1 . . . . . 13 ILE HN . 18807 1 60 . 1 1 15 15 ILE C C 13 175.034 0.2 . 1 . . . . . 13 ILE CO . 18807 1 61 . 1 1 15 15 ILE CA C 13 60.39 0.2 . 1 . . . . . 13 ILE CA . 18807 1 62 . 1 1 15 15 ILE CB C 13 37.33 0.2 . 1 . . . . . 13 ILE CB . 18807 1 63 . 1 1 15 15 ILE N N 15 120.64 0.2 . 1 . . . . . 13 ILE N . 18807 1 64 . 1 1 16 16 ALA H H 1 8.872 0.02 . 1 . . . . . 14 ALA HN . 18807 1 65 . 1 1 16 16 ALA C C 13 176.121 0.2 . 1 . . . . . 14 ALA CO . 18807 1 66 . 1 1 16 16 ALA CA C 13 50.13 0.2 . 1 . . . . . 14 ALA CA . 18807 1 67 . 1 1 16 16 ALA CB C 13 23.74 0.2 . 1 . . . . . 14 ALA CB . 18807 1 68 . 1 1 16 16 ALA N N 15 129.2 0.2 . 1 . . . . . 14 ALA N . 18807 1 69 . 1 1 17 17 SER H H 1 8.386 0.02 . 1 . . . . . 15 SER HN . 18807 1 70 . 1 1 17 17 SER C C 13 172.35 0.2 . 1 . . . . . 15 SER CO . 18807 1 71 . 1 1 17 17 SER CA C 13 58.37 0.2 . 1 . . . . . 15 SER CA . 18807 1 72 . 1 1 17 17 SER CB C 13 63.57 0.2 . 1 . . . . . 15 SER CB . 18807 1 73 . 1 1 17 17 SER N N 15 115.7 0.2 . 1 . . . . . 15 SER N . 18807 1 74 . 1 1 18 18 LEU H H 1 9.054 0.02 . 1 . . . . . 16 LEU HN . 18807 1 75 . 1 1 18 18 LEU C C 13 175.348 0.2 . 1 . . . . . 16 LEU CO . 18807 1 76 . 1 1 18 18 LEU CA C 13 53.77 0.2 . 1 . . . . . 16 LEU CA . 18807 1 77 . 1 1 18 18 LEU CB C 13 43.29 0.2 . 1 . . . . . 16 LEU CB . 18807 1 78 . 1 1 18 18 LEU N N 15 128.8 0.2 . 1 . . . . . 16 LEU N . 18807 1 79 . 1 1 19 19 LEU H H 1 8.995 0.02 . 1 . . . . . 17 LEU HN . 18807 1 80 . 1 1 19 19 LEU C C 13 175.136 0.2 . 1 . . . . . 17 LEU CO . 18807 1 81 . 1 1 19 19 LEU CA C 13 54.25 0.2 . 1 . . . . . 17 LEU CA . 18807 1 82 . 1 1 19 19 LEU CB C 13 43.86 0.2 . 1 . . . . . 17 LEU CB . 18807 1 83 . 1 1 19 19 LEU N N 15 126.9 0.2 . 1 . . . . . 17 LEU N . 18807 1 84 . 1 1 20 20 GLN H H 1 8.723 0.02 . 1 . . . . . 18 GLN HN . 18807 1 85 . 1 1 20 20 GLN CA C 13 52.62 0.2 . 1 . . . . . 18 GLN CA . 18807 1 86 . 1 1 20 20 GLN CB C 13 31.16 0.2 . 1 . . . . . 18 GLN CB . 18807 1 87 . 1 1 20 20 GLN N N 15 121.9 0.2 . 1 . . . . . 18 GLN N . 18807 1 88 . 1 1 21 21 PRO C C 13 177.28 0.2 . 1 . . . . . 19 PRO CO . 18807 1 89 . 1 1 21 21 PRO CA C 13 62.92 0.2 . 1 . . . . . 19 PRO CA . 18807 1 90 . 1 1 21 21 PRO CB C 13 31.93 0.2 . 1 . . . . . 19 PRO CB . 18807 1 91 . 1 1 22 22 LEU H H 1 8.38 0.02 . 1 . . . . . 20 LEU HN . 18807 1 92 . 1 1 22 22 LEU C C 13 177.46 0.2 . 1 . . . . . 20 LEU CO . 18807 1 93 . 1 1 22 22 LEU CA C 13 56.19 0.2 . 1 . . . . . 20 LEU CA . 18807 1 94 . 1 1 22 22 LEU CB C 13 42.4 0.2 . 1 . . . . . 20 LEU CB . 18807 1 95 . 1 1 22 22 LEU N N 15 122.2 0.2 . 1 . . . . . 20 LEU N . 18807 1 96 . 1 1 23 23 SER H H 1 8.131 0.02 . 1 . . . . . 21 SER HN . 18807 1 97 . 1 1 23 23 SER C C 13 174.216 0.2 . 1 . . . . . 21 SER CO . 18807 1 98 . 1 1 23 23 SER CA C 13 57.48 0.2 . 1 . . . . . 21 SER CA . 18807 1 99 . 1 1 23 23 SER CB C 13 64.55 0.2 . 1 . . . . . 21 SER CB . 18807 1 100 . 1 1 23 23 SER N N 15 113.1 0.2 . 1 . . . . . 21 SER N . 18807 1 101 . 1 1 24 24 LEU H H 1 8.397 0.02 . 1 . . . . . 22 LEU HN . 18807 1 102 . 1 1 24 24 LEU C C 13 177.559 0.2 . 1 . . . . . 22 LEU CO . 18807 1 103 . 1 1 24 24 LEU CA C 13 56.48 0.2 . 1 . . . . . 22 LEU CA . 18807 1 104 . 1 1 24 24 LEU CB C 13 42.08 0.2 . 1 . . . . . 22 LEU CB . 18807 1 105 . 1 1 24 24 LEU N N 15 121.8 0.2 . 1 . . . . . 22 LEU N . 18807 1 106 . 1 1 25 25 ASN H H 1 8.378 0.02 . 1 . . . . . 23 ASN HN . 18807 1 107 . 1 1 25 25 ASN C C 13 174.474 0.2 . 1 . . . . . 23 ASN CO . 18807 1 108 . 1 1 25 25 ASN CA C 13 53.41 0.2 . 1 . . . . . 23 ASN CA . 18807 1 109 . 1 1 25 25 ASN CB C 13 38.78 0.2 . 1 . . . . . 23 ASN CB . 18807 1 110 . 1 1 25 25 ASN N N 15 115.4 0.2 . 1 . . . . . 23 ASN N . 18807 1 111 . 1 1 26 26 GLN H H 1 7.734 0.02 . 1 . . . . . 24 GLN HN . 18807 1 112 . 1 1 26 26 GLN CA C 13 53.58 0.2 . 1 . . . . . 24 GLN CA . 18807 1 113 . 1 1 26 26 GLN CB C 13 29.89 0.2 . 1 . . . . . 24 GLN CB . 18807 1 114 . 1 1 26 26 GLN N N 15 119.3 0.2 . 1 . . . . . 24 GLN N . 18807 1 115 . 1 1 27 27 PRO C C 13 176.321 0.2 . 1 . . . . . 25 PRO CO . 18807 1 116 . 1 1 27 27 PRO CA C 13 63.67 0.2 . 1 . . . . . 25 PRO CA . 18807 1 117 . 1 1 27 27 PRO CB C 13 31.45 0.2 . 1 . . . . . 25 PRO CB . 18807 1 118 . 1 1 28 28 ASP H H 1 8.059 0.02 . 1 . . . . . 26 ASP HN . 18807 1 119 . 1 1 28 28 ASP C C 13 175.446 0.2 . 1 . . . . . 26 ASP CO . 18807 1 120 . 1 1 28 28 ASP CA C 13 53.93 0.2 . 1 . . . . . 26 ASP CA . 18807 1 121 . 1 1 28 28 ASP CB C 13 41.51 0.2 . 1 . . . . . 26 ASP CB . 18807 1 122 . 1 1 28 28 ASP N N 15 119.2 0.2 . 1 . . . . . 26 ASP N . 18807 1 123 . 1 1 29 29 PHE H H 1 8.384 0.02 . 1 . . . . . 27 PHE HN . 18807 1 124 . 1 1 29 29 PHE C C 13 175.591 0.2 . 1 . . . . . 27 PHE CO . 18807 1 125 . 1 1 29 29 PHE CA C 13 57.63 0.2 . 1 . . . . . 27 PHE CA . 18807 1 126 . 1 1 29 29 PHE CB C 13 40.82 0.2 . 1 . . . . . 27 PHE CB . 18807 1 127 . 1 1 29 29 PHE N N 15 120 0.2 . 1 . . . . . 27 PHE N . 18807 1 128 . 1 1 30 30 LYS H H 1 8.505 0.02 . 1 . . . . . 28 LYS HN . 18807 1 129 . 1 1 30 30 LYS C C 13 174.664 0.2 . 1 . . . . . 28 LYS CO . 18807 1 130 . 1 1 30 30 LYS CA C 13 55.36 0.2 . 1 . . . . . 28 LYS CA . 18807 1 131 . 1 1 30 30 LYS CB C 13 34.18 0.2 . 1 . . . . . 28 LYS CB . 18807 1 132 . 1 1 30 30 LYS N N 15 123.3 0.2 . 1 . . . . . 28 LYS N . 18807 1 133 . 1 1 31 31 ALA H H 1 8.419 0.02 . 1 . . . . . 29 ALA HN . 18807 1 134 . 1 1 31 31 ALA C C 13 177.083 0.2 . 1 . . . . . 29 ALA CO . 18807 1 135 . 1 1 31 31 ALA CA C 13 51.26 0.2 . 1 . . . . . 29 ALA CA . 18807 1 136 . 1 1 31 31 ALA CB C 13 21.1 0.2 . 1 . . . . . 29 ALA CB . 18807 1 137 . 1 1 31 31 ALA N N 15 126.5 0.2 . 1 . . . . . 29 ALA N . 18807 1 138 . 1 1 32 32 TYR H H 1 8.575 0.02 . 1 . . . . . 30 TYR HN . 18807 1 139 . 1 1 32 32 TYR C C 13 174.4 0.2 . 1 . . . . . 30 TYR CO . 18807 1 140 . 1 1 32 32 TYR CA C 13 56.52 0.2 . 1 . . . . . 30 TYR CA . 18807 1 141 . 1 1 32 32 TYR CB C 13 40.2 0.2 . 1 . . . . . 30 TYR CB . 18807 1 142 . 1 1 32 32 TYR N N 15 119.9 0.2 . 1 . . . . . 30 TYR N . 18807 1 143 . 1 1 33 33 LYS H H 1 8.686 0.02 . 1 . . . . . 31 LYS HN . 18807 1 144 . 1 1 33 33 LYS C C 13 176.433 0.2 . 1 . . . . . 31 LYS CO . 18807 1 145 . 1 1 33 33 LYS CA C 13 55.68 0.2 . 1 . . . . . 31 LYS CA . 18807 1 146 . 1 1 33 33 LYS CB C 13 33.31 0.2 . 1 . . . . . 31 LYS CB . 18807 1 147 . 1 1 33 33 LYS N N 15 123.32 0.2 . 1 . . . . . 31 LYS N . 18807 1 148 . 1 1 34 34 THR H H 1 9.098 0.02 . 1 . . . . . 32 THR HN . 18807 1 149 . 1 1 34 34 THR C C 13 171.9 0.2 . 1 . . . . . 32 THR CO . 18807 1 150 . 1 1 34 34 THR CA C 13 60.46 0.2 . 1 . . . . . 32 THR CA . 18807 1 151 . 1 1 34 34 THR CB C 13 70.55 0.2 . 1 . . . . . 32 THR CB . 18807 1 152 . 1 1 34 34 THR N N 15 119.2 0.2 . 1 . . . . . 32 THR N . 18807 1 153 . 1 1 35 35 LYS H H 1 8.183 0.02 . 1 . . . . . 33 LYS HN . 18807 1 154 . 1 1 35 35 LYS C C 13 176.968 0.2 . 1 . . . . . 33 LYS CO . 18807 1 155 . 1 1 35 35 LYS CA C 13 55.96 0.2 . 1 . . . . . 33 LYS CA . 18807 1 156 . 1 1 35 35 LYS CB C 13 33.73 0.2 . 1 . . . . . 33 LYS CB . 18807 1 157 . 1 1 35 35 LYS N N 15 123.5 0.2 . 1 . . . . . 33 LYS N . 18807 1 158 . 1 1 36 36 VAL H H 1 9.317 0.02 . 1 . . . . . 34 VAL HN . 18807 1 159 . 1 1 36 36 VAL C C 13 173.147 0.2 . 1 . . . . . 34 VAL CO . 18807 1 160 . 1 1 36 36 VAL CA C 13 59.24 0.2 . 1 . . . . . 34 VAL CA . 18807 1 161 . 1 1 36 36 VAL CB C 13 35.19 0.2 . 1 . . . . . 34 VAL CB . 18807 1 162 . 1 1 36 36 VAL N N 15 119.6 0.2 . 1 . . . . . 34 VAL N . 18807 1 163 . 1 1 37 37 LYS H H 1 9.072 0.02 . 1 . . . . . 35 LYS HN . 18807 1 164 . 1 1 37 37 LYS C C 13 174.86 0.2 . 1 . . . . . 35 LYS CO . 18807 1 165 . 1 1 37 37 LYS CA C 13 55.63 0.2 . 1 . . . . . 35 LYS CA . 18807 1 166 . 1 1 37 37 LYS CB C 13 32.4 0.2 . 1 . . . . . 35 LYS CB . 18807 1 167 . 1 1 37 37 LYS N N 15 124.54 0.2 . 1 . . . . . 35 LYS N . 18807 1 168 . 1 1 38 38 LEU H H 1 8.597 0.02 . 1 . . . . . 36 LEU HN . 18807 1 169 . 1 1 38 38 LEU C C 13 173.284 0.2 . 1 . . . . . 36 LEU CO . 18807 1 170 . 1 1 38 38 LEU CA C 13 53.29 0.2 . 1 . . . . . 36 LEU CA . 18807 1 171 . 1 1 38 38 LEU CB C 13 45.58 0.2 . 1 . . . . . 36 LEU CB . 18807 1 172 . 1 1 38 38 LEU N N 15 127.8 0.2 . 1 . . . . . 36 LEU N . 18807 1 173 . 1 1 39 39 LYS H H 1 9.061 0.02 . 1 . . . . . 37 LYS HN . 18807 1 174 . 1 1 39 39 LYS C C 13 176.346 0.2 . 1 . . . . . 37 LYS CO . 18807 1 175 . 1 1 39 39 LYS CA C 13 54.11 0.2 . 1 . . . . . 37 LYS CA . 18807 1 176 . 1 1 39 39 LYS CB C 13 36.32 0.2 . 1 . . . . . 37 LYS CB . 18807 1 177 . 1 1 39 39 LYS N N 15 126 0.2 . 1 . . . . . 37 LYS N . 18807 1 178 . 1 1 40 40 ILE H H 1 9.12 0.02 . 1 . . . . . 38 ILE HN . 18807 1 179 . 1 1 40 40 ILE C C 13 175.6 0.2 . 1 . . . . . 38 ILE CO . 18807 1 180 . 1 1 40 40 ILE CA C 13 59.68 0.2 . 1 . . . . . 38 ILE CA . 18807 1 181 . 1 1 40 40 ILE CB C 13 40.29 0.2 . 1 . . . . . 38 ILE CB . 18807 1 182 . 1 1 40 40 ILE N N 15 125 0.2 . 1 . . . . . 38 ILE N . 18807 1 183 . 1 1 41 41 SER H H 1 9.11 0.02 . 1 . . . . . 39 SER HN . 18807 1 184 . 1 1 41 41 SER C C 13 172 0.2 . 1 . . . . . 39 SER CO . 18807 1 185 . 1 1 41 41 SER CA C 13 56.87 0.2 . 1 . . . . . 39 SER CA . 18807 1 186 . 1 1 41 41 SER CB C 13 65.89 0.2 . 1 . . . . . 39 SER CB . 18807 1 187 . 1 1 41 41 SER N N 15 121.4 0.2 . 1 . . . . . 39 SER N . 18807 1 188 . 1 1 42 42 GLU H H 1 9.185 0.02 . 1 . . . . . 40 GLU HN . 18807 1 189 . 1 1 42 42 GLU C C 13 174.923 0.2 . 1 . . . . . 40 GLU CO . 18807 1 190 . 1 1 42 42 GLU CA C 13 54.82 0.2 . 1 . . . . . 40 GLU CA . 18807 1 191 . 1 1 42 42 GLU CB C 13 32.45 0.2 . 1 . . . . . 40 GLU CB . 18807 1 192 . 1 1 42 42 GLU N N 15 123.5 0.2 . 1 . . . . . 40 GLU N . 18807 1 193 . 1 1 43 43 GLN H H 1 8.845 0.02 . 1 . . . . . 41 GLN HN . 18807 1 194 . 1 1 43 43 GLN C C 13 173.824 0.2 . 1 . . . . . 41 GLN CO . 18807 1 195 . 1 1 43 43 GLN CA C 13 53.76 0.2 . 1 . . . . . 41 GLN CA . 18807 1 196 . 1 1 43 43 GLN CB C 13 31.37 0.2 . 1 . . . . . 41 GLN CB . 18807 1 197 . 1 1 43 43 GLN N N 15 120.6 0.2 . 1 . . . . . 41 GLN N . 18807 1 198 . 1 1 44 44 ARG H H 1 8.609 0.02 . 1 . . . . . 42 ARG HN . 18807 1 199 . 1 1 44 44 ARG C C 13 175.958 0.2 . 1 . . . . . 42 ARG CO . 18807 1 200 . 1 1 44 44 ARG CA C 13 53.61 0.2 . 1 . . . . . 42 ARG CA . 18807 1 201 . 1 1 44 44 ARG CB C 13 31.73 0.2 . 1 . . . . . 42 ARG CB . 18807 1 202 . 1 1 44 44 ARG N N 15 119.3 0.2 . 1 . . . . . 42 ARG N . 18807 1 203 . 1 1 45 45 ASN H H 1 9.064 0.02 . 1 . . . . . 43 ASN HN . 18807 1 204 . 1 1 45 45 ASN C C 13 177.482 0.2 . 1 . . . . . 43 ASN CO . 18807 1 205 . 1 1 45 45 ASN CA C 13 55.08 0.2 . 1 . . . . . 43 ASN CA . 18807 1 206 . 1 1 45 45 ASN CB C 13 40.19 0.2 . 1 . . . . . 43 ASN CB . 18807 1 207 . 1 1 45 45 ASN N N 15 124.6 0.2 . 1 . . . . . 43 ASN N . 18807 1 208 . 1 1 46 46 GLU H H 1 9.34 0.02 . 1 . . . . . 44 GLU HN . 18807 1 209 . 1 1 46 46 GLU C C 13 176.85 0.2 . 1 . . . . . 44 GLU CO . 18807 1 210 . 1 1 46 46 GLU CA C 13 59.22 0.2 . 1 . . . . . 44 GLU CA . 18807 1 211 . 1 1 46 46 GLU CB C 13 29.87 0.2 . 1 . . . . . 44 GLU CB . 18807 1 212 . 1 1 46 46 GLU N N 15 127.8 0.2 . 1 . . . . . 44 GLU N . 18807 1 213 . 1 1 47 47 THR H H 1 8.421 0.02 . 1 . . . . . 45 THR HN . 18807 1 214 . 1 1 47 47 THR C C 13 175.812 0.2 . 1 . . . . . 45 THR CO . 18807 1 215 . 1 1 47 47 THR CA C 13 64.6 0.2 . 1 . . . . . 45 THR CA . 18807 1 216 . 1 1 47 47 THR CB C 13 69.01 0.2 . 1 . . . . . 45 THR CB . 18807 1 217 . 1 1 47 47 THR N N 15 113.9 0.2 . 1 . . . . . 45 THR N . 18807 1 218 . 1 1 48 48 SER H H 1 8.708 0.02 . 1 . . . . . 46 SER HN . 18807 1 219 . 1 1 48 48 SER C C 13 176.58 0.2 . 1 . . . . . 46 SER CO . 18807 1 220 . 1 1 48 48 SER CA C 13 58.27 0.2 . 1 . . . . . 46 SER CA . 18807 1 221 . 1 1 48 48 SER CB C 13 65.56 0.2 . 1 . . . . . 46 SER CB . 18807 1 222 . 1 1 48 48 SER N N 15 115.7 0.2 . 1 . . . . . 46 SER N . 18807 1 223 . 1 1 49 49 GLY H H 1 8.178 0.02 . 1 . . . . . 47 GLY HN . 18807 1 224 . 1 1 49 49 GLY C C 13 173.8 0.2 . 1 . . . . . 47 GLY CO . 18807 1 225 . 1 1 49 49 GLY CA C 13 46.07 0.2 . 1 . . . . . 47 GLY CA . 18807 1 226 . 1 1 49 49 GLY N N 15 111.8 0.2 . 1 . . . . . 47 GLY N . 18807 1 227 . 1 1 50 50 GLU H H 1 7.939 0.02 . 1 . . . . . 48 GLU HN . 18807 1 228 . 1 1 50 50 GLU C C 13 175.839 0.2 . 1 . . . . . 48 GLU CO . 18807 1 229 . 1 1 50 50 GLU CA C 13 56.35 0.2 . 1 . . . . . 48 GLU CA . 18807 1 230 . 1 1 50 50 GLU CB C 13 31.14 0.2 . 1 . . . . . 48 GLU CB . 18807 1 231 . 1 1 50 50 GLU N N 15 120.07 0.2 . 1 . . . . . 48 GLU N . 18807 1 232 . 1 1 51 51 LYS H H 1 8.89 0.02 . 1 . . . . . 49 LYS HN . 18807 1 233 . 1 1 51 51 LYS C C 13 175.366 0.2 . 1 . . . . . 49 LYS CO . 18807 1 234 . 1 1 51 51 LYS CA C 13 58.12 0.2 . 1 . . . . . 49 LYS CA . 18807 1 235 . 1 1 51 51 LYS CB C 13 32.9 0.2 . 1 . . . . . 49 LYS CB . 18807 1 236 . 1 1 51 51 LYS N N 15 123.3 0.2 . 1 . . . . . 49 LYS N . 18807 1 237 . 1 1 52 52 GLU H H 1 8.975 0.02 . 1 . . . . . 50 GLU HN . 18807 1 238 . 1 1 52 52 GLU C C 13 175.286 0.2 . 1 . . . . . 50 GLU CO . 18807 1 239 . 1 1 52 52 GLU CA C 13 54.05 0.2 . 1 . . . . . 50 GLU CA . 18807 1 240 . 1 1 52 52 GLU CB C 13 35.08 0.2 . 1 . . . . . 50 GLU CB . 18807 1 241 . 1 1 52 52 GLU N N 15 123.3 0.2 . 1 . . . . . 50 GLU N . 18807 1 242 . 1 1 53 53 LEU H H 1 9.03 0.02 . 1 . . . . . 51 LEU HN . 18807 1 243 . 1 1 53 53 LEU C C 13 174.845 0.2 . 1 . . . . . 51 LEU CO . 18807 1 244 . 1 1 53 53 LEU CA C 13 52.82 0.2 . 1 . . . . . 51 LEU CA . 18807 1 245 . 1 1 53 53 LEU CB C 13 46.72 0.2 . 1 . . . . . 51 LEU CB . 18807 1 246 . 1 1 53 53 LEU N N 15 120.9 0.2 . 1 . . . . . 51 LEU N . 18807 1 247 . 1 1 54 54 LYS H H 1 9.55 0.02 . 1 . . . . . 52 LYS HN . 18807 1 248 . 1 1 54 54 LYS C C 13 175.071 0.2 . 1 . . . . . 52 LYS CO . 18807 1 249 . 1 1 54 54 LYS CA C 13 55.33 0.2 . 1 . . . . . 52 LYS CA . 18807 1 250 . 1 1 54 54 LYS CB C 13 35.52 0.2 . 1 . . . . . 52 LYS CB . 18807 1 251 . 1 1 54 54 LYS N N 15 126.8 0.2 . 1 . . . . . 52 LYS N . 18807 1 252 . 1 1 55 55 PHE H H 1 9.36 0.02 . 1 . . . . . 53 PHE HN . 18807 1 253 . 1 1 55 55 PHE C C 13 175.1 0.2 . 1 . . . . . 53 PHE CO . 18807 1 254 . 1 1 55 55 PHE CA C 13 56.76 0.2 . 1 . . . . . 53 PHE CA . 18807 1 255 . 1 1 55 55 PHE CB C 13 42.74 0.2 . 1 . . . . . 53 PHE CB . 18807 1 256 . 1 1 55 55 PHE N N 15 127 0.2 . 1 . . . . . 53 PHE N . 18807 1 257 . 1 1 56 56 GLU H H 1 9.129 0.02 . 1 . . . . . 54 GLU HN . 18807 1 258 . 1 1 56 56 GLU C C 13 175.2 0.2 . 1 . . . . . 54 GLU CO . 18807 1 259 . 1 1 56 56 GLU CA C 13 55.36 0.2 . 1 . . . . . 54 GLU CA . 18807 1 260 . 1 1 56 56 GLU CB C 13 34.925 0.2 . 1 . . . . . 54 GLU CB . 18807 1 261 . 1 1 56 56 GLU N N 15 121.45 0.2 . 1 . . . . . 54 GLU N . 18807 1 262 . 1 1 57 57 ILE H H 1 9.179 0.02 . 1 . . . . . 55 ILE HN . 18807 1 263 . 1 1 57 57 ILE C C 13 174 0.2 . 1 . . . . . 55 ILE CO . 18807 1 264 . 1 1 57 57 ILE CA C 13 58.645 0.2 . 1 . . . . . 55 ILE CA . 18807 1 265 . 1 1 57 57 ILE CB C 13 41.645 0.2 . 1 . . . . . 55 ILE CB . 18807 1 266 . 1 1 57 57 ILE N N 15 122.35 0.2 . 1 . . . . . 55 ILE N . 18807 1 267 . 1 1 58 58 SER H H 1 8.954 0.02 . 1 . . . . . 56 SER HN . 18807 1 268 . 1 1 58 58 SER C C 13 173.3 0.2 . 1 . . . . . 56 SER CO . 18807 1 269 . 1 1 58 58 SER CA C 13 57.21 0.2 . 1 . . . . . 56 SER CA . 18807 1 270 . 1 1 58 58 SER CB C 13 66.65 0.2 . 1 . . . . . 56 SER CB . 18807 1 271 . 1 1 58 58 SER N N 15 117.98 0.2 . 1 . . . . . 56 SER N . 18807 1 272 . 1 1 59 59 ARG H H 1 9.025 0.02 . 1 . . . . . 57 ARG HN . 18807 1 273 . 1 1 59 59 ARG CB C 13 35.24 0.2 . 1 . . . . . 57 ARG CB . 18807 1 274 . 1 1 59 59 ARG N N 15 117.98 0.2 . 1 . . . . . 57 ARG N . 18807 1 275 . 1 1 60 60 SER C C 13 174.4 0.2 . 1 . . . . . 58 SER CO . 18807 1 276 . 1 1 60 60 SER CA C 13 60.31 0.2 . 1 . . . . . 58 SER CA . 18807 1 277 . 1 1 60 60 SER CB C 13 62.97 0.2 . 1 . . . . . 58 SER CB . 18807 1 278 . 1 1 61 61 ASP H H 1 8.602 0.02 . 1 . . . . . 59 ASP HN . 18807 1 279 . 1 1 61 61 ASP C C 13 175.1 0.2 . 1 . . . . . 59 ASP CO . 18807 1 280 . 1 1 61 61 ASP CA C 13 53.355 0.2 . 1 . . . . . 59 ASP CA . 18807 1 281 . 1 1 61 61 ASP CB C 13 40.165 0.2 . 1 . . . . . 59 ASP CB . 18807 1 282 . 1 1 61 61 ASP N N 15 116.98 0.2 . 1 . . . . . 59 ASP N . 18807 1 283 . 1 1 62 62 ASP H H 1 7.173 0.02 . 1 . . . . . 60 ASP HN . 18807 1 284 . 1 1 62 62 ASP C C 13 176.4 0.2 . 1 . . . . . 60 ASP CO . 18807 1 285 . 1 1 62 62 ASP CA C 13 54 0.2 . 1 . . . . . 60 ASP CA . 18807 1 286 . 1 1 62 62 ASP CB C 13 41.45 0.2 . 1 . . . . . 60 ASP CB . 18807 1 287 . 1 1 62 62 ASP N N 15 117.25 0.2 . 1 . . . . . 60 ASP N . 18807 1 288 . 1 1 63 63 PHE H H 1 8.812 0.02 . 1 . . . . . 61 PHE HN . 18807 1 289 . 1 1 63 63 PHE CA C 13 58.725 0.2 . 1 . . . . . 61 PHE CA . 18807 1 290 . 1 1 63 63 PHE CB C 13 38.415 0.2 . 1 . . . . . 61 PHE CB . 18807 1 291 . 1 1 63 63 PHE N N 15 125.25 0.2 . 1 . . . . . 61 PHE N . 18807 1 292 . 1 1 64 64 GLU H H 1 8.205 0.02 . 1 . . . . . 62 GLU HN . 18807 1 293 . 1 1 64 64 GLU CA C 13 56.49 0.2 . 1 . . . . . 62 GLU CA . 18807 1 294 . 1 1 64 64 GLU N N 15 117.1 0.2 . 1 . . . . . 62 GLU N . 18807 1 295 . 1 1 66 66 LEU C C 13 174.62 0.2 . 1 . . . . . 64 LEU CO . 18807 1 296 . 1 1 66 66 LEU CA C 13 55.2 0.2 . 1 . . . . . 64 LEU CA . 18807 1 297 . 1 1 66 66 LEU CB C 13 44.3 0.2 . 1 . . . . . 64 LEU CB . 18807 1 298 . 1 1 67 67 PHE H H 1 8.566 0.02 . 1 . . . . . 65 PHE HN . 18807 1 299 . 1 1 67 67 PHE C C 13 174.716 0.2 . 1 . . . . . 65 PHE CO . 18807 1 300 . 1 1 67 67 PHE CA C 13 55.78 0.2 . 1 . . . . . 65 PHE CA . 18807 1 301 . 1 1 67 67 PHE CB C 13 43.9 0.2 . 1 . . . . . 65 PHE CB . 18807 1 302 . 1 1 67 67 PHE N N 15 123.2 0.2 . 1 . . . . . 65 PHE N . 18807 1 303 . 1 1 68 68 SER H H 1 9.564 0.02 . 1 . . . . . 66 SER HN . 18807 1 304 . 1 1 68 68 SER C C 13 173.269 0.2 . 1 . . . . . 66 SER CO . 18807 1 305 . 1 1 68 68 SER CA C 13 56.94 0.2 . 1 . . . . . 66 SER CA . 18807 1 306 . 1 1 68 68 SER CB C 13 67.55 0.2 . 1 . . . . . 66 SER CB . 18807 1 307 . 1 1 68 68 SER N N 15 116.3 0.2 . 1 . . . . . 66 SER N . 18807 1 308 . 1 1 69 69 GLU H H 1 8.899 0.02 . 1 . . . . . 67 GLU HN . 18807 1 309 . 1 1 69 69 GLU C C 13 174.482 0.2 . 1 . . . . . 67 GLU CO . 18807 1 310 . 1 1 69 69 GLU CA C 13 56.24 0.2 . 1 . . . . . 67 GLU CA . 18807 1 311 . 1 1 69 69 GLU CB C 13 34.79 0.2 . 1 . . . . . 67 GLU CB . 18807 1 312 . 1 1 69 69 GLU N N 15 122.9 0.2 . 1 . . . . . 67 GLU N . 18807 1 313 . 1 1 70 70 THR H H 1 9.518 0.02 . 1 . . . . . 68 THR HN . 18807 1 314 . 1 1 70 70 THR C C 13 173.854 0.2 . 1 . . . . . 68 THR CO . 18807 1 315 . 1 1 70 70 THR CA C 13 61.54 0.2 . 1 . . . . . 68 THR CA . 18807 1 316 . 1 1 70 70 THR CB C 13 70.36 0.2 . 1 . . . . . 68 THR CB . 18807 1 317 . 1 1 70 70 THR N N 15 122.2 0.2 . 1 . . . . . 68 THR N . 18807 1 318 . 1 1 71 71 LEU H H 1 9.928 0.02 . 1 . . . . . 69 LEU HN . 18807 1 319 . 1 1 71 71 LEU C C 13 175.158 0.2 . 1 . . . . . 69 LEU CO . 18807 1 320 . 1 1 71 71 LEU CA C 13 54.48 0.2 . 1 . . . . . 69 LEU CA . 18807 1 321 . 1 1 71 71 LEU CB C 13 46.2 0.2 . 1 . . . . . 69 LEU CB . 18807 1 322 . 1 1 71 71 LEU N N 15 125.3 0.2 . 1 . . . . . 69 LEU N . 18807 1 323 . 1 1 72 72 ASN H H 1 7.042 0.02 . 1 . . . . . 70 ASN HN . 18807 1 324 . 1 1 72 72 ASN C C 13 174.819 0.2 . 1 . . . . . 70 ASN CO . 18807 1 325 . 1 1 72 72 ASN CA C 13 50.73 0.2 . 1 . . . . . 70 ASN CA . 18807 1 326 . 1 1 72 72 ASN CB C 13 39.87 0.2 . 1 . . . . . 70 ASN CB . 18807 1 327 . 1 1 72 72 ASN N N 15 119.4 0.2 . 1 . . . . . 70 ASN N . 18807 1 328 . 1 1 73 73 ASN H H 1 9.089 0.02 . 1 . . . . . 71 ASN HN . 18807 1 329 . 1 1 73 73 ASN C C 13 176.587 0.2 . 1 . . . . . 71 ASN CO . 18807 1 330 . 1 1 73 73 ASN CA C 13 57.57 0.2 . 1 . . . . . 71 ASN CA . 18807 1 331 . 1 1 73 73 ASN CB C 13 38.95 0.2 . 1 . . . . . 71 ASN CB . 18807 1 332 . 1 1 73 73 ASN N N 15 118.9 0.2 . 1 . . . . . 71 ASN N . 18807 1 333 . 1 1 74 74 GLU H H 1 8.313 0.02 . 1 . . . . . 72 GLU HN . 18807 1 334 . 1 1 74 74 GLU C C 13 179.534 0.2 . 1 . . . . . 72 GLU CO . 18807 1 335 . 1 1 74 74 GLU CA C 13 60.21 0.2 . 1 . . . . . 72 GLU CA . 18807 1 336 . 1 1 74 74 GLU CB C 13 29.24 0.2 . 1 . . . . . 72 GLU CB . 18807 1 337 . 1 1 74 74 GLU N N 15 118.9 0.2 . 1 . . . . . 72 GLU N . 18807 1 338 . 1 1 75 75 LYS H H 1 8.471 0.02 . 1 . . . . . 73 LYS HN . 18807 1 339 . 1 1 75 75 LYS C C 13 180.28 0.2 . 1 . . . . . 73 LYS CO . 18807 1 340 . 1 1 75 75 LYS CA C 13 59.5 0.2 . 1 . . . . . 73 LYS CA . 18807 1 341 . 1 1 75 75 LYS CB C 13 34.55 0.2 . 1 . . . . . 73 LYS CB . 18807 1 342 . 1 1 75 75 LYS N N 15 118.1 0.2 . 1 . . . . . 73 LYS N . 18807 1 343 . 1 1 76 76 TYR H H 1 8.941 0.02 . 1 . . . . . 74 TYR HN . 18807 1 344 . 1 1 76 76 TYR C C 13 175.824 0.2 . 1 . . . . . 74 TYR CO . 18807 1 345 . 1 1 76 76 TYR CA C 13 61.94 0.2 . 1 . . . . . 74 TYR CA . 18807 1 346 . 1 1 76 76 TYR CB C 13 38.85 0.2 . 1 . . . . . 74 TYR CB . 18807 1 347 . 1 1 76 76 TYR N N 15 121.1 0.2 . 1 . . . . . 74 TYR N . 18807 1 348 . 1 1 77 77 GLN H H 1 8.385 0.02 . 1 . . . . . 75 GLN HN . 18807 1 349 . 1 1 77 77 GLN C C 13 179.107 0.2 . 1 . . . . . 75 GLN CO . 18807 1 350 . 1 1 77 77 GLN CA C 13 58.81 0.2 . 1 . . . . . 75 GLN CA . 18807 1 351 . 1 1 77 77 GLN CB C 13 27.87 0.2 . 1 . . . . . 75 GLN CB . 18807 1 352 . 1 1 77 77 GLN N N 15 116.6 0.2 . 1 . . . . . 75 GLN N . 18807 1 353 . 1 1 78 78 ILE H H 1 6.958 0.02 . 1 . . . . . 76 ILE HN . 18807 1 354 . 1 1 78 78 ILE C C 13 177.235 0.2 . 1 . . . . . 76 ILE CO . 18807 1 355 . 1 1 78 78 ILE CA C 13 64.42 0.2 . 1 . . . . . 76 ILE CA . 18807 1 356 . 1 1 78 78 ILE CB C 13 38.14 0.2 . 1 . . . . . 76 ILE CB . 18807 1 357 . 1 1 78 78 ILE N N 15 118.3 0.2 . 1 . . . . . 76 ILE N . 18807 1 358 . 1 1 79 79 LEU H H 1 7.115 0.02 . 1 . . . . . 77 LEU HN . 18807 1 359 . 1 1 79 79 LEU C C 13 179.829 0.2 . 1 . . . . . 77 LEU CO . 18807 1 360 . 1 1 79 79 LEU CA C 13 58.24 0.2 . 1 . . . . . 77 LEU CA . 18807 1 361 . 1 1 79 79 LEU CB C 13 42.68 0.2 . 1 . . . . . 77 LEU CB . 18807 1 362 . 1 1 79 79 LEU N N 15 121.6 0.2 . 1 . . . . . 77 LEU N . 18807 1 363 . 1 1 80 80 ALA H H 1 9.058 0.02 . 1 . . . . . 78 ALA HN . 18807 1 364 . 1 1 80 80 ALA C C 13 180.233 0.2 . 1 . . . . . 78 ALA CO . 18807 1 365 . 1 1 80 80 ALA CA C 13 55.19 0.2 . 1 . . . . . 78 ALA CA . 18807 1 366 . 1 1 80 80 ALA CB C 13 17.08 0.2 . 1 . . . . . 78 ALA CB . 18807 1 367 . 1 1 80 80 ALA N N 15 121.2 0.2 . 1 . . . . . 78 ALA N . 18807 1 368 . 1 1 81 81 ARG H H 1 7.485 0.02 . 1 . . . . . 79 ARG HN . 18807 1 369 . 1 1 81 81 ARG C C 13 179.421 0.2 . 1 . . . . . 79 ARG CO . 18807 1 370 . 1 1 81 81 ARG CA C 13 58.55 0.2 . 1 . . . . . 79 ARG CA . 18807 1 371 . 1 1 81 81 ARG CB C 13 29.93 0.2 . 1 . . . . . 79 ARG CB . 18807 1 372 . 1 1 81 81 ARG N N 15 117.8 0.2 . 1 . . . . . 79 ARG N . 18807 1 373 . 1 1 82 82 ASP H H 1 8.064 0.02 . 1 . . . . . 80 ASP HN . 18807 1 374 . 1 1 82 82 ASP C C 13 177.3 0.2 . 1 . . . . . 80 ASP CO . 18807 1 375 . 1 1 82 82 ASP CA C 13 56.63 0.2 . 1 . . . . . 80 ASP CA . 18807 1 376 . 1 1 82 82 ASP CB C 13 40.34 0.2 . 1 . . . . . 80 ASP CB . 18807 1 377 . 1 1 82 82 ASP N N 15 119.3 0.2 . 1 . . . . . 80 ASP N . 18807 1 378 . 1 1 83 83 HIS H H 1 7.667 0.02 . 1 . . . . . 81 HIS HN . 18807 1 379 . 1 1 83 83 HIS C C 13 173.5 0.2 . 1 . . . . . 81 HIS CO . 18807 1 380 . 1 1 83 83 HIS CA C 13 56.355 0.2 . 1 . . . . . 81 HIS CA . 18807 1 381 . 1 1 83 83 HIS CB C 13 30.16 0.2 . 1 . . . . . 81 HIS CB . 18807 1 382 . 1 1 83 83 HIS N N 15 114.47 0.2 . 1 . . . . . 81 HIS N . 18807 1 383 . 1 1 84 84 ASP H H 1 7.816 0.02 . 1 . . . . . 82 ASP HN . 18807 1 384 . 1 1 84 84 ASP C C 13 175.4 0.2 . 1 . . . . . 82 ASP CO . 18807 1 385 . 1 1 84 84 ASP CA C 13 55.45 0.2 . 1 . . . . . 82 ASP CA . 18807 1 386 . 1 1 84 84 ASP CB C 13 39.39 0.2 . 1 . . . . . 82 ASP CB . 18807 1 387 . 1 1 84 84 ASP N N 15 119.86 0.2 . 1 . . . . . 82 ASP N . 18807 1 388 . 1 1 85 85 LEU H H 1 8.435 0.02 . 1 . . . . . 83 LEU HN . 18807 1 389 . 1 1 85 85 LEU CA C 13 54.55 0.2 . 1 . . . . . 83 LEU CA . 18807 1 390 . 1 1 85 85 LEU CB C 13 39.3 0.2 . 1 . . . . . 83 LEU CB . 18807 1 391 . 1 1 85 85 LEU N N 15 117.7 0.2 . 1 . . . . . 83 LEU N . 18807 1 392 . 1 1 88 88 ASP C C 13 174.01 0.2 . 1 . . . . . 86 ASP CO . 18807 1 393 . 1 1 88 88 ASP CA C 13 52.93 0.2 . 1 . . . . . 86 ASP CA . 18807 1 394 . 1 1 88 88 ASP CB C 13 39.18 0.2 . 1 . . . . . 86 ASP CB . 18807 1 395 . 1 1 89 89 PHE H H 1 8.05 0.02 . 1 . . . . . 87 PHE HN . 18807 1 396 . 1 1 89 89 PHE C C 13 177.207 0.2 . 1 . . . . . 87 PHE CO . 18807 1 397 . 1 1 89 89 PHE CA C 13 58.77 0.2 . 1 . . . . . 87 PHE CA . 18807 1 398 . 1 1 89 89 PHE CB C 13 39.64 0.2 . 1 . . . . . 87 PHE CB . 18807 1 399 . 1 1 89 89 PHE N N 15 118.9 0.2 . 1 . . . . . 87 PHE N . 18807 1 400 . 1 1 90 90 ASP H H 1 8.017 0.02 . 1 . . . . . 88 ASP HN . 18807 1 401 . 1 1 90 90 ASP C C 13 177.816 0.2 . 1 . . . . . 88 ASP CO . 18807 1 402 . 1 1 90 90 ASP CA C 13 56.62 0.2 . 1 . . . . . 88 ASP CA . 18807 1 403 . 1 1 90 90 ASP CB C 13 40.66 0.2 . 1 . . . . . 88 ASP CB . 18807 1 404 . 1 1 90 90 ASP N N 15 115.2 0.2 . 1 . . . . . 88 ASP N . 18807 1 405 . 1 1 91 91 ALA H H 1 7.721 0.02 . 1 . . . . . 89 ALA HN . 18807 1 406 . 1 1 91 91 ALA C C 13 178.442 0.2 . 1 . . . . . 89 ALA CO . 18807 1 407 . 1 1 91 91 ALA CA C 13 52.8 0.2 . 1 . . . . . 89 ALA CA . 18807 1 408 . 1 1 91 91 ALA CB C 13 19.52 0.2 . 1 . . . . . 89 ALA CB . 18807 1 409 . 1 1 91 91 ALA N N 15 121.2 0.2 . 1 . . . . . 89 ALA N . 18807 1 410 . 1 1 92 92 PHE H H 1 7.78 0.02 . 1 . . . . . 90 PHE HN . 18807 1 411 . 1 1 92 92 PHE CA C 13 61.64 0.2 . 1 . . . . . 90 PHE CA . 18807 1 412 . 1 1 92 92 PHE CB C 13 36.6 0.2 . 1 . . . . . 90 PHE CB . 18807 1 413 . 1 1 92 92 PHE N N 15 118.8 0.2 . 1 . . . . . 90 PHE N . 18807 1 414 . 1 1 93 93 PRO C C 13 177.14 0.2 . 1 . . . . . 91 PRO CO . 18807 1 415 . 1 1 93 93 PRO CA C 13 65.9 0.2 . 1 . . . . . 91 PRO CA . 18807 1 416 . 1 1 93 93 PRO CB C 13 29.8 0.2 . 1 . . . . . 91 PRO CB . 18807 1 417 . 1 1 94 94 LYS H H 1 7.042 0.02 . 1 . . . . . 92 LYS HN . 18807 1 418 . 1 1 94 94 LYS C C 13 179.169 0.2 . 1 . . . . . 92 LYS CO . 18807 1 419 . 1 1 94 94 LYS CA C 13 59.6 0.2 . 1 . . . . . 92 LYS CA . 18807 1 420 . 1 1 94 94 LYS CB C 13 32.03 0.2 . 1 . . . . . 92 LYS CB . 18807 1 421 . 1 1 94 94 LYS N N 15 114.1 0.2 . 1 . . . . . 92 LYS N . 18807 1 422 . 1 1 95 95 VAL H H 1 7.49 0.02 . 1 . . . . . 93 VAL HN . 18807 1 423 . 1 1 95 95 VAL C C 13 178.431 0.2 . 1 . . . . . 93 VAL CO . 18807 1 424 . 1 1 95 95 VAL CA C 13 66 0.2 . 1 . . . . . 93 VAL CA . 18807 1 425 . 1 1 95 95 VAL CB C 13 31.9 0.2 . 1 . . . . . 93 VAL CB . 18807 1 426 . 1 1 95 95 VAL N N 15 119.2 0.2 . 1 . . . . . 93 VAL N . 18807 1 427 . 1 1 96 96 ILE H H 1 7.66 0.02 . 1 . . . . . 94 ILE HN . 18807 1 428 . 1 1 96 96 ILE C C 13 176.875 0.2 . 1 . . . . . 94 ILE CO . 18807 1 429 . 1 1 96 96 ILE CA C 13 63.5 0.2 . 1 . . . . . 94 ILE CA . 18807 1 430 . 1 1 96 96 ILE CB C 13 36.97 0.2 . 1 . . . . . 94 ILE CB . 18807 1 431 . 1 1 96 96 ILE N N 15 117.5 0.2 . 1 . . . . . 94 ILE N . 18807 1 432 . 1 1 97 97 ILE H H 1 8.057 0.02 . 1 . . . . . 95 ILE HN . 18807 1 433 . 1 1 97 97 ILE C C 13 177.183 0.2 . 1 . . . . . 95 ILE CO . 18807 1 434 . 1 1 97 97 ILE CA C 13 66.18 0.2 . 1 . . . . . 95 ILE CA . 18807 1 435 . 1 1 97 97 ILE CB C 13 37.3 0.2 . 1 . . . . . 95 ILE CB . 18807 1 436 . 1 1 97 97 ILE N N 15 121.1 0.2 . 1 . . . . . 95 ILE N . 18807 1 437 . 1 1 98 98 GLN H H 1 7.64 0.02 . 1 . . . . . 96 GLN HN . 18807 1 438 . 1 1 98 98 GLN C C 13 179 0.2 . 1 . . . . . 96 GLN CO . 18807 1 439 . 1 1 98 98 GLN CA C 13 59.22 0.2 . 1 . . . . . 96 GLN CA . 18807 1 440 . 1 1 98 98 GLN CB C 13 28 0.2 . 1 . . . . . 96 GLN CB . 18807 1 441 . 1 1 98 98 GLN N N 15 117.4 0.2 . 1 . . . . . 96 GLN N . 18807 1 442 . 1 1 99 99 HIS H H 1 7.441 0.02 . 1 . . . . . 97 HIS HN . 18807 1 443 . 1 1 99 99 HIS C C 13 177.95 0.2 . 1 . . . . . 97 HIS CO . 18807 1 444 . 1 1 99 99 HIS CA C 13 59.535 0.2 . 1 . . . . . 97 HIS CA . 18807 1 445 . 1 1 99 99 HIS CB C 13 31.23 0.2 . 1 . . . . . 97 HIS CB . 18807 1 446 . 1 1 99 99 HIS N N 15 115.76 0.2 . 1 . . . . . 97 HIS N . 18807 1 447 . 1 1 100 100 LEU H H 1 8.042 0.02 . 1 . . . . . 98 LEU HN . 18807 1 448 . 1 1 100 100 LEU C C 13 177.9 0.2 . 1 . . . . . 98 LEU CO . 18807 1 449 . 1 1 100 100 LEU CA C 13 56.76 0.2 . 1 . . . . . 98 LEU CA . 18807 1 450 . 1 1 100 100 LEU CB C 13 42.49 0.2 . 1 . . . . . 98 LEU CB . 18807 1 451 . 1 1 100 100 LEU N N 15 118.96 0.2 . 1 . . . . . 98 LEU N . 18807 1 452 . 1 1 101 101 LEU H H 1 7.948 0.02 . 1 . . . . . 99 LEU HN . 18807 1 453 . 1 1 101 101 LEU C C 13 177.3 0.2 . 1 . . . . . 99 LEU CO . 18807 1 454 . 1 1 101 101 LEU CA C 13 55.245 0.2 . 1 . . . . . 99 LEU CA . 18807 1 455 . 1 1 101 101 LEU CB C 13 42.295 0.2 . 1 . . . . . 99 LEU CB . 18807 1 456 . 1 1 101 101 LEU N N 15 117.34 0.2 . 1 . . . . . 99 LEU N . 18807 1 457 . 1 1 102 102 CYS H H 1 7.868 0.02 . 1 . . . . . 100 CYS HN . 18807 1 458 . 1 1 102 102 CYS C C 13 175.1 0.2 . 1 . . . . . 100 CYS CO . 18807 1 459 . 1 1 102 102 CYS CA C 13 59.69 0.2 . 1 . . . . . 100 CYS CA . 18807 1 460 . 1 1 102 102 CYS CB C 13 27.525 0.2 . 1 . . . . . 100 CYS CB . 18807 1 461 . 1 1 102 102 CYS N N 15 118.87 0.2 . 1 . . . . . 100 CYS N . 18807 1 462 . 1 1 103 103 LYS H H 1 8.515 0.02 . 1 . . . . . 101 LYS HN . 18807 1 463 . 1 1 103 103 LYS C C 13 176.17 0.2 . 1 . . . . . 101 LYS CO . 18807 1 464 . 1 1 103 103 LYS CA C 13 56.47 0.2 . 1 . . . . . 101 LYS CA . 18807 1 465 . 1 1 103 103 LYS CB C 13 33 0.2 . 1 . . . . . 101 LYS CB . 18807 1 466 . 1 1 103 103 LYS N N 15 122.73 0.2 . 1 . . . . . 101 LYS N . 18807 1 467 . 1 1 104 104 ASN H H 1 8.421 0.02 . 1 . . . . . 102 ASN HN . 18807 1 468 . 1 1 104 104 ASN C C 13 174.86 0.2 . 1 . . . . . 102 ASN CO . 18807 1 469 . 1 1 104 104 ASN CA C 13 53.62 0.2 . 1 . . . . . 102 ASN CA . 18807 1 470 . 1 1 104 104 ASN CB C 13 38.98 0.2 . 1 . . . . . 102 ASN CB . 18807 1 471 . 1 1 104 104 ASN N N 15 118.5 0.2 . 1 . . . . . 102 ASN N . 18807 1 472 . 1 1 105 105 ILE H H 1 8.075 0.02 . 1 . . . . . 103 ILE HN . 18807 1 473 . 1 1 105 105 ILE C C 13 176.07 0.2 . 1 . . . . . 103 ILE CO . 18807 1 474 . 1 1 105 105 ILE CA C 13 61.33 0.2 . 1 . . . . . 103 ILE CA . 18807 1 475 . 1 1 105 105 ILE CB C 13 38.64 0.2 . 1 . . . . . 103 ILE CB . 18807 1 476 . 1 1 105 105 ILE N N 15 120.7 0.2 . 1 . . . . . 103 ILE N . 18807 1 477 . 1 1 106 106 VAL H H 1 8.308 0.02 . 1 . . . . . 104 VAL HN . 18807 1 478 . 1 1 106 106 VAL C C 13 175.86 0.2 . 1 . . . . . 104 VAL CO . 18807 1 479 . 1 1 106 106 VAL CA C 13 62.4 0.2 . 1 . . . . . 104 VAL CA . 18807 1 480 . 1 1 106 106 VAL CB C 13 32.56 0.2 . 1 . . . . . 104 VAL CB . 18807 1 481 . 1 1 106 106 VAL N N 15 124.7 0.2 . 1 . . . . . 104 VAL N . 18807 1 482 . 1 1 107 107 LYS H H 1 8.453 0.02 . 1 . . . . . 105 LYS HN . 18807 1 483 . 1 1 107 107 LYS C C 13 176 0.2 . 1 . . . . . 105 LYS CO . 18807 1 484 . 1 1 107 107 LYS CA C 13 56.2 0.2 . 1 . . . . . 105 LYS CA . 18807 1 485 . 1 1 107 107 LYS CB C 13 33.3 0.2 . 1 . . . . . 105 LYS CB . 18807 1 486 . 1 1 107 107 LYS N N 15 125.6 0.2 . 1 . . . . . 105 LYS N . 18807 1 487 . 1 1 108 108 ASN H H 1 8.541 0.02 . 1 . . . . . 106 ASN HN . 18807 1 488 . 1 1 108 108 ASN C C 13 175.2 0.2 . 1 . . . . . 106 ASN CO . 18807 1 489 . 1 1 108 108 ASN CA C 13 53.28 0.2 . 1 . . . . . 106 ASN CA . 18807 1 490 . 1 1 108 108 ASN CB C 13 38.98 0.2 . 1 . . . . . 106 ASN CB . 18807 1 491 . 1 1 108 108 ASN N N 15 120.3 0.2 . 1 . . . . . 106 ASN N . 18807 1 492 . 1 1 109 109 LEU H H 1 8.427 0.02 . 1 . . . . . 107 LEU HN . 18807 1 493 . 1 1 109 109 LEU C C 13 177.6 0.2 . 1 . . . . . 107 LEU CO . 18807 1 494 . 1 1 109 109 LEU CA C 13 55.605 0.2 . 1 . . . . . 107 LEU CA . 18807 1 495 . 1 1 109 109 LEU CB C 13 42.21 0.2 . 1 . . . . . 107 LEU CB . 18807 1 496 . 1 1 109 109 LEU N N 15 122.95 0.2 . 1 . . . . . 107 LEU N . 18807 1 497 . 1 1 110 110 GLU H H 1 8.461 0.02 . 1 . . . . . 108 GLU HN . 18807 1 498 . 1 1 110 110 GLU C C 13 176.9 0.2 . 1 . . . . . 108 GLU CO . 18807 1 499 . 1 1 110 110 GLU CA C 13 56.825 0.2 . 1 . . . . . 108 GLU CA . 18807 1 500 . 1 1 110 110 GLU CB C 13 30.035 0.2 . 1 . . . . . 108 GLU CB . 18807 1 501 . 1 1 110 110 GLU N N 15 120.76 0.2 . 1 . . . . . 108 GLU N . 18807 1 502 . 1 1 111 111 GLU H H 1 8.358 0.02 . 1 . . . . . 109 GLU HN . 18807 1 503 . 1 1 111 111 GLU C C 13 176.4 0.2 . 1 . . . . . 109 GLU CO . 18807 1 504 . 1 1 111 111 GLU CA C 13 56.725 0.2 . 1 . . . . . 109 GLU CA . 18807 1 505 . 1 1 111 111 GLU CB C 13 30.225 0.2 . 1 . . . . . 109 GLU CB . 18807 1 506 . 1 1 111 111 GLU N N 15 121.29 0.2 . 1 . . . . . 109 GLU N . 18807 1 507 . 1 1 112 112 ASP H H 1 8.401 0.02 . 1 . . . . . 110 ASP HN . 18807 1 508 . 1 1 112 112 ASP C C 13 176.96 0.2 . 1 . . . . . 110 ASP CO . 18807 1 509 . 1 1 112 112 ASP CA C 13 54.61 0.2 . 1 . . . . . 110 ASP CA . 18807 1 510 . 1 1 112 112 ASP CB C 13 41.26 0.2 . 1 . . . . . 110 ASP CB . 18807 1 511 . 1 1 112 112 ASP N N 15 121.36 0.2 . 1 . . . . . 110 ASP N . 18807 1 512 . 1 1 113 113 GLY H H 1 8.395 0.02 . 1 . . . . . 111 GLY HN . 18807 1 513 . 1 1 113 113 GLY C C 13 174.55 0.2 . 1 . . . . . 111 GLY CO . 18807 1 514 . 1 1 113 113 GLY CA C 13 45.59 0.2 . 1 . . . . . 111 GLY CA . 18807 1 515 . 1 1 113 113 GLY N N 15 109.2 0.2 . 1 . . . . . 111 GLY N . 18807 1 516 . 1 1 114 114 GLU H H 1 8.302 0.02 . 1 . . . . . 112 GLU HN . 18807 1 517 . 1 1 114 114 GLU C C 13 177.11 0.2 . 1 . . . . . 112 GLU CO . 18807 1 518 . 1 1 114 114 GLU CA C 13 56.75 0.2 . 1 . . . . . 112 GLU CA . 18807 1 519 . 1 1 114 114 GLU CB C 13 30.09 0.2 . 1 . . . . . 112 GLU CB . 18807 1 520 . 1 1 114 114 GLU N N 15 121 0.2 . 1 . . . . . 112 GLU N . 18807 1 521 . 1 1 115 115 VAL H H 1 8.182 0.02 . 1 . . . . . 113 VAL HN . 18807 1 522 . 1 1 115 115 VAL C C 13 176.58 0.2 . 1 . . . . . 113 VAL CO . 18807 1 523 . 1 1 115 115 VAL CA C 13 63.5 0.2 . 1 . . . . . 113 VAL CA . 18807 1 524 . 1 1 115 115 VAL CB C 13 32.41 0.2 . 1 . . . . . 113 VAL CB . 18807 1 525 . 1 1 115 115 VAL N N 15 121.1 0.2 . 1 . . . . . 113 VAL N . 18807 1 526 . 1 1 116 116 ASP H H 1 8.434 0.02 . 1 . . . . . 114 ASP HN . 18807 1 527 . 1 1 116 116 ASP C C 13 176.96 0.2 . 1 . . . . . 114 ASP CO . 18807 1 528 . 1 1 116 116 ASP CA C 13 54.86 0.2 . 1 . . . . . 114 ASP CA . 18807 1 529 . 1 1 116 116 ASP CB C 13 41.14 0.2 . 1 . . . . . 114 ASP CB . 18807 1 530 . 1 1 116 116 ASP N N 15 123 0.2 . 1 . . . . . 114 ASP N . 18807 1 531 . 1 1 117 117 ALA H H 1 8.344 0.02 . 1 . . . . . 115 ALA HN . 18807 1 532 . 1 1 117 117 ALA C C 13 179.11 0.2 . 1 . . . . . 115 ALA CO . 18807 1 533 . 1 1 117 117 ALA CA C 13 53.99 0.2 . 1 . . . . . 115 ALA CA . 18807 1 534 . 1 1 117 117 ALA CB C 13 18.77 0.2 . 1 . . . . . 115 ALA CB . 18807 1 535 . 1 1 117 117 ALA N N 15 124.8 0.2 . 1 . . . . . 115 ALA N . 18807 1 536 . 1 1 118 118 ARG H H 1 8.204 0.02 . 1 . . . . . 116 ARG HN . 18807 1 537 . 1 1 118 118 ARG C C 13 177.48 0.2 . 1 . . . . . 116 ARG CO . 18807 1 538 . 1 1 118 118 ARG CA C 13 57.405 0.2 . 1 . . . . . 116 ARG CA . 18807 1 539 . 1 1 118 118 ARG CB C 13 30.15 0.2 . 1 . . . . . 116 ARG CB . 18807 1 540 . 1 1 118 118 ARG N N 15 117.7 0.2 . 1 . . . . . 116 ARG N . 18807 1 541 . 1 1 119 119 LYS H H 1 7.984 0.02 . 1 . . . . . 117 LYS HN . 18807 1 542 . 1 1 119 119 LYS C C 13 177.5 0.2 . 1 . . . . . 117 LYS CO . 18807 1 543 . 1 1 119 119 LYS CA C 13 57.09 0.2 . 1 . . . . . 117 LYS CA . 18807 1 544 . 1 1 119 119 LYS CB C 13 32.87 0.2 . 1 . . . . . 117 LYS CB . 18807 1 545 . 1 1 119 119 LYS N N 15 120.2 0.2 . 1 . . . . . 117 LYS N . 18807 1 546 . 1 1 120 120 LYS H H 1 8.067 0.02 . 1 . . . . . 118 LYS HN . 18807 1 547 . 1 1 120 120 LYS C C 13 176.7 0.2 . 1 . . . . . 118 LYS CO . 18807 1 548 . 1 1 120 120 LYS CA C 13 56.785 0.2 . 1 . . . . . 118 LYS CA . 18807 1 549 . 1 1 120 120 LYS CB C 13 32.895 0.2 . 1 . . . . . 118 LYS CB . 18807 1 550 . 1 1 120 120 LYS N N 15 121.23 0.2 . 1 . . . . . 118 LYS N . 18807 1 551 . 1 1 121 121 ALA H H 1 8.197 0.02 . 1 . . . . . 119 ALA HN . 18807 1 552 . 1 1 121 121 ALA C C 13 178.29 0.2 . 1 . . . . . 119 ALA CO . 18807 1 553 . 1 1 121 121 ALA CA C 13 52.89 0.2 . 1 . . . . . 119 ALA CA . 18807 1 554 . 1 1 121 121 ALA CB C 13 19.02 0.2 . 1 . . . . . 119 ALA CB . 18807 1 555 . 1 1 121 121 ALA N N 15 124 0.2 . 1 . . . . . 119 ALA N . 18807 1 556 . 1 1 122 122 GLY H H 1 8.344 0.02 . 1 . . . . . 120 GLY HN . 18807 1 557 . 1 1 122 122 GLY C C 13 174.07 0.2 . 1 . . . . . 120 GLY CO . 18807 1 558 . 1 1 122 122 GLY CA C 13 45.28 0.2 . 1 . . . . . 120 GLY CA . 18807 1 559 . 1 1 122 122 GLY N N 15 107.9 0.2 . 1 . . . . . 120 GLY N . 18807 1 560 . 1 1 123 123 TYR H H 1 7.984 0.02 . 1 . . . . . 121 TYR HN . 18807 1 561 . 1 1 123 123 TYR C C 13 175.6 0.2 . 1 . . . . . 121 TYR CO . 18807 1 562 . 1 1 123 123 TYR CA C 13 58.4 0.2 . 1 . . . . . 121 TYR CA . 18807 1 563 . 1 1 123 123 TYR CB C 13 38.79 0.2 . 1 . . . . . 121 TYR CB . 18807 1 564 . 1 1 123 123 TYR N N 15 120.3 0.2 . 1 . . . . . 121 TYR N . 18807 1 565 . 1 1 124 124 HIS H H 1 8.197 0.02 . 1 . . . . . 122 HIS HN . 18807 1 566 . 1 1 124 124 HIS C C 13 174.5 0.2 . 1 . . . . . 122 HIS CO . 18807 1 567 . 1 1 124 124 HIS CA C 13 55.94 0.2 . 1 . . . . . 122 HIS CA . 18807 1 568 . 1 1 124 124 HIS CB C 13 30.78 0.2 . 1 . . . . . 122 HIS CB . 18807 1 569 . 1 1 124 124 HIS N N 15 121.7 0.2 . 1 . . . . . 122 HIS N . 18807 1 570 . 1 1 125 125 GLU H H 1 8.268 0.02 . 1 . . . . . 123 GLU HN . 18807 1 571 . 1 1 125 125 GLU C C 13 176.2 0.2 . 1 . . . . . 123 GLU CO . 18807 1 572 . 1 1 125 125 GLU CA C 13 56.27 0.2 . 1 . . . . . 123 GLU CA . 18807 1 573 . 1 1 125 125 GLU CB C 13 30.6 0.2 . 1 . . . . . 123 GLU CB . 18807 1 574 . 1 1 125 125 GLU N N 15 122.1 0.2 . 1 . . . . . 123 GLU N . 18807 1 575 . 1 1 126 126 ILE H H 1 8.244 0.02 . 1 . . . . . 124 ILE HN . 18807 1 576 . 1 1 126 126 ILE C C 13 175.75 0.2 . 1 . . . . . 124 ILE CO . 18807 1 577 . 1 1 126 126 ILE CA C 13 60.99 0.2 . 1 . . . . . 124 ILE CA . 18807 1 578 . 1 1 126 126 ILE CB C 13 38.74 0.2 . 1 . . . . . 124 ILE CB . 18807 1 579 . 1 1 126 126 ILE N N 15 122 0.2 . 1 . . . . . 124 ILE N . 18807 1 580 . 1 1 127 127 ALA H H 1 8.382 0.02 . 1 . . . . . 125 ALA HN . 18807 1 581 . 1 1 127 127 ALA C C 13 176.85 0.2 . 1 . . . . . 125 ALA CO . 18807 1 582 . 1 1 127 127 ALA CA C 13 52.35 0.2 . 1 . . . . . 125 ALA CA . 18807 1 583 . 1 1 127 127 ALA CB C 13 19.38 0.2 . 1 . . . . . 125 ALA CB . 18807 1 584 . 1 1 127 127 ALA N N 15 128 0.2 . 1 . . . . . 125 ALA N . 18807 1 585 . 1 1 128 128 ASP H H 1 8.359 0.02 . 1 . . . . . 126 ASP HN . 18807 1 586 . 1 1 128 128 ASP CA C 13 52.15 0.2 . 1 . . . . . 126 ASP CA . 18807 1 587 . 1 1 128 128 ASP CB C 13 41.62 0.2 . 1 . . . . . 126 ASP CB . 18807 1 588 . 1 1 128 128 ASP N N 15 121.2 0.2 . 1 . . . . . 126 ASP N . 18807 1 589 . 1 1 129 129 PRO C C 13 177.47 0.2 . 1 . . . . . 127 PRO CO . 18807 1 590 . 1 1 129 129 PRO CA C 13 63.51 0.2 . 1 . . . . . 127 PRO CA . 18807 1 591 . 1 1 129 129 PRO CB C 13 31.99 0.2 . 1 . . . . . 127 PRO CB . 18807 1 592 . 1 1 130 130 GLY H H 1 8.544 0.02 . 1 . . . . . 128 GLY HN . 18807 1 593 . 1 1 130 130 GLY C C 13 173.75 0.2 . 1 . . . . . 128 GLY CO . 18807 1 594 . 1 1 130 130 GLY CA C 13 45.22 0.2 . 1 . . . . . 128 GLY CA . 18807 1 595 . 1 1 130 130 GLY N N 15 108.3 0.2 . 1 . . . . . 128 GLY N . 18807 1 596 . 1 1 131 131 LYS H H 1 8.095 0.02 . 1 . . . . . 129 LYS HN . 18807 1 597 . 1 1 131 131 LYS CA C 13 53.92 0.2 . 1 . . . . . 129 LYS CA . 18807 1 598 . 1 1 131 131 LYS CB C 13 33 0.2 . 1 . . . . . 129 LYS CB . 18807 1 599 . 1 1 131 131 LYS N N 15 121.5 0.2 . 1 . . . . . 129 LYS N . 18807 1 600 . 1 1 132 132 PRO C C 13 176.46 0.2 . 1 . . . . . 130 PRO CO . 18807 1 601 . 1 1 132 132 PRO CA C 13 63.77 0.2 . 1 . . . . . 130 PRO CA . 18807 1 602 . 1 1 132 132 PRO CB C 13 32.08 0.2 . 1 . . . . . 130 PRO CB . 18807 1 603 . 1 1 133 133 THR H H 1 7.947 0.02 . 1 . . . . . 131 THR HN . 18807 1 604 . 1 1 133 133 THR C C 13 173.81 0.2 . 1 . . . . . 131 THR CO . 18807 1 605 . 1 1 133 133 THR CA C 13 60.94 0.2 . 1 . . . . . 131 THR CA . 18807 1 606 . 1 1 133 133 THR CB C 13 71.275 0.2 . 1 . . . . . 131 THR CB . 18807 1 607 . 1 1 133 133 THR N N 15 114.7 0.2 . 1 . . . . . 131 THR N . 18807 1 608 . 1 1 134 134 GLU H H 1 8.92 0.02 . 1 . . . . . 132 GLU HN . 18807 1 609 . 1 1 134 134 GLU C C 13 174.13 0.2 . 1 . . . . . 132 GLU CO . 18807 1 610 . 1 1 134 134 GLU CA C 13 55.56 0.2 . 1 . . . . . 132 GLU CA . 18807 1 611 . 1 1 134 134 GLU CB C 13 32.48 0.2 . 1 . . . . . 132 GLU CB . 18807 1 612 . 1 1 134 134 GLU N N 15 123.4 0.2 . 1 . . . . . 132 GLU N . 18807 1 613 . 1 1 135 135 ILE H H 1 8.561 0.02 . 1 . . . . . 133 ILE HN . 18807 1 614 . 1 1 135 135 ILE C C 13 175.56 0.2 . 1 . . . . . 133 ILE CO . 18807 1 615 . 1 1 135 135 ILE CA C 13 59.78 0.2 . 1 . . . . . 133 ILE CA . 18807 1 616 . 1 1 135 135 ILE CB C 13 40.35 0.2 . 1 . . . . . 133 ILE CB . 18807 1 617 . 1 1 135 135 ILE N N 15 121.6 0.2 . 1 . . . . . 133 ILE N . 18807 1 618 . 1 1 136 136 ASN H H 1 8.973 0.02 . 1 . . . . . 134 ASN HN . 18807 1 619 . 1 1 136 136 ASN C C 13 173.57 0.2 . 1 . . . . . 134 ASN CO . 18807 1 620 . 1 1 136 136 ASN CA C 13 51.21 0.2 . 1 . . . . . 134 ASN CA . 18807 1 621 . 1 1 136 136 ASN CB C 13 41.78 0.2 . 1 . . . . . 134 ASN CB . 18807 1 622 . 1 1 136 136 ASN N N 15 125.6 0.2 . 1 . . . . . 134 ASN N . 18807 1 623 . 1 1 137 137 ILE H H 1 9.16 0.02 . 1 . . . . . 135 ILE HN . 18807 1 624 . 1 1 137 137 ILE C C 13 174.2 0.2 . 1 . . . . . 135 ILE CO . 18807 1 625 . 1 1 137 137 ILE CA C 13 59.2 0.2 . 1 . . . . . 135 ILE CA . 18807 1 626 . 1 1 137 137 ILE CB C 13 39.5 0.2 . 1 . . . . . 135 ILE CB . 18807 1 627 . 1 1 137 137 ILE N N 15 122 0.2 . 1 . . . . . 135 ILE N . 18807 1 628 . 1 1 138 138 ILE H H 1 8.93 0.02 . 1 . . . . . 136 ILE HN . 18807 1 629 . 1 1 138 138 ILE C C 13 176.71 0.2 . 1 . . . . . 136 ILE CO . 18807 1 630 . 1 1 138 138 ILE CA C 13 60.53 0.2 . 1 . . . . . 136 ILE CA . 18807 1 631 . 1 1 138 138 ILE CB C 13 38.93 0.2 . 1 . . . . . 136 ILE CB . 18807 1 632 . 1 1 138 138 ILE N N 15 126.8 0.2 . 1 . . . . . 136 ILE N . 18807 1 633 . 1 1 139 139 LEU H H 1 8.876 0.02 . 1 . . . . . 137 LEU HN . 18807 1 634 . 1 1 139 139 LEU CA C 13 54.84 0.2 . 1 . . . . . 137 LEU CA . 18807 1 635 . 1 1 139 139 LEU CB C 13 43.87 0.2 . 1 . . . . . 137 LEU CB . 18807 1 636 . 1 1 139 139 LEU N N 15 130.6 0.2 . 1 . . . . . 137 LEU N . 18807 1 637 . 1 1 140 140 ASP H H 1 7.705 0.02 . 1 . . . . . 138 ASP HN . 18807 1 638 . 1 1 140 140 ASP C C 13 178.07 0.2 . 1 . . . . . 138 ASP CO . 18807 1 639 . 1 1 140 140 ASP CA C 13 53.36 0.2 . 1 . . . . . 138 ASP CA . 18807 1 640 . 1 1 140 140 ASP CB C 13 43.17 0.2 . 1 . . . . . 138 ASP CB . 18807 1 641 . 1 1 140 140 ASP N N 15 120.2 0.2 . 1 . . . . . 138 ASP N . 18807 1 642 . 1 1 141 141 ALA H H 1 8.847 0.02 . 1 . . . . . 139 ALA HN . 18807 1 643 . 1 1 141 141 ALA C C 13 179 0.2 . 1 . . . . . 139 ALA CO . 18807 1 644 . 1 1 141 141 ALA CA C 13 55.66 0.2 . 1 . . . . . 139 ALA CA . 18807 1 645 . 1 1 141 141 ALA CB C 13 18.56 0.2 . 1 . . . . . 139 ALA CB . 18807 1 646 . 1 1 141 141 ALA N N 15 128.1 0.2 . 1 . . . . . 139 ALA N . 18807 1 647 . 1 1 142 142 GLU H H 1 7.701 0.02 . 1 . . . . . 140 GLU HN . 18807 1 648 . 1 1 142 142 GLU C C 13 175.8 0.2 . 1 . . . . . 140 GLU CO . 18807 1 649 . 1 1 142 142 GLU CA C 13 56.2 0.2 . 1 . . . . . 140 GLU CA . 18807 1 650 . 1 1 142 142 GLU CB C 13 29.73 0.2 . 1 . . . . . 140 GLU CB . 18807 1 651 . 1 1 142 142 GLU N N 15 113.9 0.2 . 1 . . . . . 140 GLU N . 18807 1 652 . 1 1 143 143 LYS H H 1 7.53 0.02 . 1 . . . . . 141 LYS HN . 18807 1 653 . 1 1 143 143 LYS CA C 13 57.06 0.2 . 1 . . . . . 141 LYS CA . 18807 1 654 . 1 1 143 143 LYS N N 15 122.88 0.2 . 1 . . . . . 141 LYS N . 18807 1 655 . 1 1 144 144 ASN C C 13 176.12 0.2 . 1 . . . . . 142 ASN CO . 18807 1 656 . 1 1 144 144 ASN CA C 13 55.13 0.2 . 1 . . . . . 142 ASN CA . 18807 1 657 . 1 1 144 144 ASN CB C 13 39.38 0.2 . 1 . . . . . 142 ASN CB . 18807 1 658 . 1 1 145 145 PHE H H 1 7.87 0.02 . 1 . . . . . 143 PHE HN . 18807 1 659 . 1 1 145 145 PHE C C 13 172.7 0.2 . 1 . . . . . 143 PHE CO . 18807 1 660 . 1 1 145 145 PHE CA C 13 56.26 0.2 . 1 . . . . . 143 PHE CA . 18807 1 661 . 1 1 145 145 PHE CB C 13 41.25 0.2 . 1 . . . . . 143 PHE CB . 18807 1 662 . 1 1 145 145 PHE N N 15 115.8 0.2 . 1 . . . . . 143 PHE N . 18807 1 663 . 1 1 146 146 CYS H H 1 9.051 0.02 . 1 . . . . . 144 CYS HN . 18807 1 664 . 1 1 146 146 CYS C C 13 172.4 0.2 . 1 . . . . . 144 CYS CO . 18807 1 665 . 1 1 146 146 CYS CA C 13 55.52 0.2 . 1 . . . . . 144 CYS CA . 18807 1 666 . 1 1 146 146 CYS CB C 13 31.32 0.2 . 1 . . . . . 144 CYS CB . 18807 1 667 . 1 1 146 146 CYS N N 15 114.1 0.2 . 1 . . . . . 144 CYS N . 18807 1 668 . 1 1 147 147 SER H H 1 9.054 0.02 . 1 . . . . . 145 SER HN . 18807 1 669 . 1 1 147 147 SER C C 13 173.02 0.2 . 1 . . . . . 145 SER CO . 18807 1 670 . 1 1 147 147 SER CA C 13 57.25 0.2 . 1 . . . . . 145 SER CA . 18807 1 671 . 1 1 147 147 SER CB C 13 63.75 0.2 . 1 . . . . . 145 SER CB . 18807 1 672 . 1 1 147 147 SER N N 15 117.7 0.2 . 1 . . . . . 145 SER N . 18807 1 673 . 1 1 148 148 PHE H H 1 9.114 0.02 . 1 . . . . . 146 PHE HN . 18807 1 674 . 1 1 148 148 PHE C C 13 173.24 0.2 . 1 . . . . . 146 PHE CO . 18807 1 675 . 1 1 148 148 PHE CA C 13 56.64 0.2 . 1 . . . . . 146 PHE CA . 18807 1 676 . 1 1 148 148 PHE CB C 13 40.86 0.2 . 1 . . . . . 146 PHE CB . 18807 1 677 . 1 1 148 148 PHE N N 15 129.3 0.2 . 1 . . . . . 146 PHE N . 18807 1 678 . 1 1 149 149 GLU H H 1 8.822 0.02 . 1 . . . . . 147 GLU HN . 18807 1 679 . 1 1 149 149 GLU C C 13 173.39 0.2 . 1 . . . . . 147 GLU CO . 18807 1 680 . 1 1 149 149 GLU CA C 13 54.63 0.2 . 1 . . . . . 147 GLU CA . 18807 1 681 . 1 1 149 149 GLU CB C 13 33.08 0.2 . 1 . . . . . 147 GLU CB . 18807 1 682 . 1 1 149 149 GLU N N 15 125.8 0.2 . 1 . . . . . 147 GLU N . 18807 1 683 . 1 1 150 150 LEU H H 1 7.88 0.02 . 1 . . . . . 148 LEU HN . 18807 1 684 . 1 1 150 150 LEU C C 13 174.78 0.2 . 1 . . . . . 148 LEU CO . 18807 1 685 . 1 1 150 150 LEU CA C 13 51.24 0.2 . 1 . . . . . 148 LEU CA . 18807 1 686 . 1 1 150 150 LEU CB C 13 45.4 0.2 . 1 . . . . . 148 LEU CB . 18807 1 687 . 1 1 150 150 LEU N N 15 122.2 0.2 . 1 . . . . . 148 LEU N . 18807 1 688 . 1 1 151 151 PHE H H 1 9.184 0.02 . 1 . . . . . 149 PHE HN . 18807 1 689 . 1 1 151 151 PHE C C 13 174.74 0.2 . 1 . . . . . 149 PHE CO . 18807 1 690 . 1 1 151 151 PHE CA C 13 56.37 0.2 . 1 . . . . . 149 PHE CA . 18807 1 691 . 1 1 151 151 PHE CB C 13 42.33 0.2 . 1 . . . . . 149 PHE CB . 18807 1 692 . 1 1 151 151 PHE N N 15 124.7 0.2 . 1 . . . . . 149 PHE N . 18807 1 693 . 1 1 152 152 SER H H 1 8.925 0.02 . 1 . . . . . 150 SER HN . 18807 1 694 . 1 1 152 152 SER C C 13 174.8 0.2 . 1 . . . . . 150 SER CO . 18807 1 695 . 1 1 152 152 SER CA C 13 56.9 0.2 . 1 . . . . . 150 SER CA . 18807 1 696 . 1 1 152 152 SER CB C 13 64.46 0.2 . 1 . . . . . 150 SER CB . 18807 1 697 . 1 1 152 152 SER N N 15 116.1 0.2 . 1 . . . . . 150 SER N . 18807 1 698 . 1 1 153 153 LYS H H 1 8.877 0.02 . 1 . . . . . 151 LYS HN . 18807 1 699 . 1 1 153 153 LYS C C 13 175.9 0.2 . 1 . . . . . 151 LYS CO . 18807 1 700 . 1 1 153 153 LYS CA C 13 55.845 0.2 . 1 . . . . . 151 LYS CA . 18807 1 701 . 1 1 153 153 LYS CB C 13 33.16 0.2 . 1 . . . . . 151 LYS CB . 18807 1 702 . 1 1 153 153 LYS N N 15 126.29 0.2 . 1 . . . . . 151 LYS N . 18807 1 703 . 1 1 154 154 THR H H 1 8.254 0.02 . 1 . . . . . 152 THR HN . 18807 1 704 . 1 1 154 154 THR CA C 13 59.94 0.2 . 1 . . . . . 152 THR CA . 18807 1 705 . 1 1 154 154 THR CB C 13 69.19 0.2 . 1 . . . . . 152 THR CB . 18807 1 706 . 1 1 154 154 THR N N 15 117.01 0.2 . 1 . . . . . 152 THR N . 18807 1 707 . 1 1 155 155 PRO C C 13 177.7 0.2 . 1 . . . . . 153 PRO CO . 18807 1 708 . 1 1 155 155 PRO CA C 13 65.19 0.2 . 1 . . . . . 153 PRO CA . 18807 1 709 . 1 1 155 155 PRO CB C 13 31.65 0.2 . 1 . . . . . 153 PRO CB . 18807 1 710 . 1 1 156 156 GLU H H 1 8.398 0.02 . 1 . . . . . 154 GLU HN . 18807 1 711 . 1 1 156 156 GLU C C 13 176.4 0.2 . 1 . . . . . 154 GLU CO . 18807 1 712 . 1 1 156 156 GLU CA C 13 57.37 0.2 . 1 . . . . . 154 GLU CA . 18807 1 713 . 1 1 156 156 GLU CB C 13 29.7 0.2 . 1 . . . . . 154 GLU CB . 18807 1 714 . 1 1 156 156 GLU N N 15 114.08 0.2 . 1 . . . . . 154 GLU N . 18807 1 715 . 1 1 157 157 SER H H 1 7.741 0.02 . 1 . . . . . 155 SER HN . 18807 1 716 . 1 1 157 157 SER C C 13 173.6 0.2 . 1 . . . . . 155 SER CO . 18807 1 717 . 1 1 157 157 SER CA C 13 57.59 0.2 . 1 . . . . . 155 SER CA . 18807 1 718 . 1 1 157 157 SER CB C 13 64.38 0.2 . 1 . . . . . 155 SER CB . 18807 1 719 . 1 1 157 157 SER N N 15 114.31 0.2 . 1 . . . . . 155 SER N . 18807 1 720 . 1 1 158 158 LYS H H 1 8.334 0.02 . 1 . . . . . 156 LYS HN . 18807 1 721 . 1 1 158 158 LYS C C 13 176.47 0.2 . 1 . . . . . 156 LYS CO . 18807 1 722 . 1 1 158 158 LYS CA C 13 56.195 0.2 . 1 . . . . . 156 LYS CA . 18807 1 723 . 1 1 158 158 LYS CB C 13 33.31 0.2 . 1 . . . . . 156 LYS CB . 18807 1 724 . 1 1 158 158 LYS N N 15 123.17 0.2 . 1 . . . . . 156 LYS N . 18807 1 725 . 1 1 159 159 GLY H H 1 8.438 0.02 . 1 . . . . . 157 GLY HN . 18807 1 726 . 1 1 159 159 GLY C C 13 172.81 0.2 . 1 . . . . . 157 GLY CO . 18807 1 727 . 1 1 159 159 GLY CA C 13 44.84 0.2 . 1 . . . . . 157 GLY CA . 18807 1 728 . 1 1 159 159 GLY N N 15 110 0.2 . 1 . . . . . 157 GLY N . 18807 1 729 . 1 1 160 160 LYS H H 1 8.599 0.02 . 1 . . . . . 158 LYS HN . 18807 1 730 . 1 1 160 160 LYS C C 13 176.27 0.2 . 1 . . . . . 158 LYS CO . 18807 1 731 . 1 1 160 160 LYS CA C 13 57.03 0.2 . 1 . . . . . 158 LYS CA . 18807 1 732 . 1 1 160 160 LYS CB C 13 32.025 0.2 . 1 . . . . . 158 LYS CB . 18807 1 733 . 1 1 160 160 LYS N N 15 124 0.2 . 1 . . . . . 158 LYS N . 18807 1 734 . 1 1 161 161 ILE H H 1 8.9 0.02 . 1 . . . . . 159 ILE HN . 18807 1 735 . 1 1 161 161 ILE C C 13 174.5 0.2 . 1 . . . . . 159 ILE CO . 18807 1 736 . 1 1 161 161 ILE CA C 13 61.94 0.2 . 1 . . . . . 159 ILE CA . 18807 1 737 . 1 1 161 161 ILE CB C 13 38.74 0.2 . 1 . . . . . 159 ILE CB . 18807 1 738 . 1 1 161 161 ILE N N 15 126.44 0.2 . 1 . . . . . 159 ILE N . 18807 1 739 . 1 1 162 162 PHE H H 1 8.383 0.02 . 1 . . . . . 160 PHE HN . 18807 1 740 . 1 1 162 162 PHE CA C 13 58.46 0.2 . 1 . . . . . 160 PHE CA . 18807 1 741 . 1 1 162 162 PHE N N 15 119.46 0.2 . 1 . . . . . 160 PHE N . 18807 1 742 . 1 1 163 163 SER C C 13 171.4 0.2 . 1 . . . . . 161 SER CO . 18807 1 743 . 1 1 163 163 SER CA C 13 56.14 0.2 . 1 . . . . . 161 SER CA . 18807 1 744 . 1 1 163 163 SER CB C 13 65.66 0.2 . 1 . . . . . 161 SER CB . 18807 1 745 . 1 1 164 164 ILE H H 1 8.509 0.02 . 1 . . . . . 162 ILE HN . 18807 1 746 . 1 1 164 164 ILE C C 13 172.1 0.2 . 1 . . . . . 162 ILE CO . 18807 1 747 . 1 1 164 164 ILE CA C 13 59.82 0.2 . 1 . . . . . 162 ILE CA . 18807 1 748 . 1 1 164 164 ILE CB C 13 41.4 0.2 . 1 . . . . . 162 ILE CB . 18807 1 749 . 1 1 164 164 ILE N N 15 119.3 0.2 . 1 . . . . . 162 ILE N . 18807 1 750 . 1 1 165 165 LYS H H 1 8.411 0.02 . 1 . . . . . 163 LYS HN . 18807 1 751 . 1 1 165 165 LYS C C 13 175.01 0.2 . 1 . . . . . 163 LYS CO . 18807 1 752 . 1 1 165 165 LYS CA C 13 55.54 0.2 . 1 . . . . . 163 LYS CA . 18807 1 753 . 1 1 165 165 LYS CB C 13 32.75 0.2 . 1 . . . . . 163 LYS CB . 18807 1 754 . 1 1 165 165 LYS N N 15 128.7 0.2 . 1 . . . . . 163 LYS N . 18807 1 755 . 1 1 166 166 LEU H H 1 9.06 0.02 . 1 . . . . . 164 LEU HN . 18807 1 756 . 1 1 166 166 LEU C C 13 175.89 0.2 . 1 . . . . . 164 LEU CO . 18807 1 757 . 1 1 166 166 LEU CA C 13 53.49 0.2 . 1 . . . . . 164 LEU CA . 18807 1 758 . 1 1 166 166 LEU CB C 13 44.41 0.2 . 1 . . . . . 164 LEU CB . 18807 1 759 . 1 1 166 166 LEU N N 15 124.6 0.2 . 1 . . . . . 164 LEU N . 18807 1 760 . 1 1 167 167 HIS H H 1 8.669 0.02 . 1 . . . . . 165 HIS HN . 18807 1 761 . 1 1 167 167 HIS C C 13 175.83 0.2 . 1 . . . . . 165 HIS CO . 18807 1 762 . 1 1 167 167 HIS CA C 13 56.17 0.2 . 1 . . . . . 165 HIS CA . 18807 1 763 . 1 1 167 167 HIS CB C 13 32.3 0.2 . 1 . . . . . 165 HIS CB . 18807 1 764 . 1 1 167 167 HIS N N 15 120.6 0.2 . 1 . . . . . 165 HIS N . 18807 1 765 . 1 1 168 168 ALA H H 1 8.382 0.02 . 1 . . . . . 166 ALA HN . 18807 1 766 . 1 1 168 168 ALA C C 13 177.74 0.2 . 1 . . . . . 166 ALA CO . 18807 1 767 . 1 1 168 168 ALA CA C 13 53.15 0.2 . 1 . . . . . 166 ALA CA . 18807 1 768 . 1 1 168 168 ALA CB C 13 18.54 0.2 . 1 . . . . . 166 ALA CB . 18807 1 769 . 1 1 168 168 ALA N N 15 125.6 0.2 . 1 . . . . . 166 ALA N . 18807 1 770 . 1 1 169 169 VAL H H 1 7.838 0.02 . 1 . . . . . 167 VAL HN . 18807 1 771 . 1 1 169 169 VAL C C 13 174.95 0.2 . 1 . . . . . 167 VAL CO . 18807 1 772 . 1 1 169 169 VAL CA C 13 62.88 0.2 . 1 . . . . . 167 VAL CA . 18807 1 773 . 1 1 169 169 VAL CB C 13 32 0.2 . 1 . . . . . 167 VAL CB . 18807 1 774 . 1 1 169 169 VAL N N 15 124.3 0.2 . 1 . . . . . 167 VAL N . 18807 1 775 . 1 1 170 170 ARG H H 1 8.035 0.02 . 1 . . . . . 168 ARG HN . 18807 1 776 . 1 1 170 170 ARG CA C 13 56.87 0.2 . 1 . . . . . 168 ARG CA . 18807 1 777 . 1 1 170 170 ARG CB C 13 32.08 0.2 . 1 . . . . . 168 ARG CB . 18807 1 778 . 1 1 170 170 ARG N N 15 131.3 0.2 . 1 . . . . . 168 ARG N . 18807 1 stop_ save_