data_19161 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 19161 _Entry.Title ; Backbone chemical shift assignment of porcine amelogenin in the presence of SDS micelles ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2013-04-12 _Entry.Accession_date 2013-04-12 _Entry.Last_release_date . _Entry.Original_release_date . _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version 3.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype solution _Entry.Details . _Entry.BMRB_internal_directory_name . loop_ _Entry_author.Ordinal _Entry_author.Given_name _Entry_author.Family_name _Entry_author.First_initial _Entry_author.Middle_initials _Entry_author.Family_title _Entry_author.Entry_ID 1 Kaushik Dutta . . . 19161 2 John Evans . S. . 19161 3 Janet Moradian-Oldak . . . 19161 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 19161 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 369 19161 '15N chemical shifts' 100 19161 '1H chemical shifts' 100 19161 stop_ loop_ _Release.Release_number _Release.Format_type _Release.Format_version _Release.Date _Release.Submission_date _Release.Type _Release.Author _Release.Detail _Release.Entry_ID 2 . . 2014-05-02 2013-04-12 update BMRB 'update entry citation' 19161 1 . . 2014-02-12 2013-04-12 original author 'original release' 19161 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 19161 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 24114119 _Citation.Full_citation . _Citation.Title 'Structural adaptation of tooth enamel protein amelogenin in the presence of SDS micelles.' _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev Biopolymers _Citation.Journal_name_full Biopolymers _Citation.Journal_volume 101 _Citation.Journal_issue 5 _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 525 _Citation.Page_last 535 _Citation.Year 2014 _Citation.Details . loop_ _Citation_author.Ordinal _Citation_author.Given_name _Citation_author.Family_name _Citation_author.First_initial _Citation_author.Middle_initials _Citation_author.Family_title _Citation_author.Entry_ID _Citation_author.Citation_ID 1 'Karthik Balakrishna' Chandrababu . . . 19161 1 2 Kaushik Dutta . . . 19161 1 3 'Sowmya Bekshe' Lokappa . . . 19161 1 4 Moise Ndao . . . 19161 1 5 'John Spencer' Evans . . . 19161 1 6 Janet Moradian-Oldak . . . 19161 1 stop_ loop_ _Citation_keyword.Keyword _Citation_keyword.Entry_ID _Citation_keyword.Citation_ID 'chemical shift assignment' 19161 1 'intrinsically disordered protein' 19161 1 NMR 19161 1 'SDS micelles' 19161 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 19161 _Assembly.ID 1 _Assembly.Name 'Amelogenin in SDS' _Assembly.BMRB_code . _Assembly.Number_of_components . _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds . _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state . _Assembly.Molecular_mass . _Assembly.Enzyme_commission_number . _Assembly.Details . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Entity_assembly.ID _Entity_assembly.Entity_assembly_name _Entity_assembly.Entity_ID _Entity_assembly.Entity_label _Entity_assembly.Asym_ID _Entity_assembly.PDB_chain_ID _Entity_assembly.Experimental_data_reported _Entity_assembly.Physical_state _Entity_assembly.Conformational_isomer _Entity_assembly.Chemical_exchange_state _Entity_assembly.Magnetic_equivalence_group_code _Entity_assembly.Role _Entity_assembly.Details _Entity_assembly.Entry_ID _Entity_assembly.Assembly_ID 1 Amelogenin 1 $Amelogenin A . yes 'intrinsically disordered' yes yes . . . 19161 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_Amelogenin _Entity.Sf_category entity _Entity.Sf_framecode Amelogenin _Entity.Entry_ID 19161 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name Amelogenin _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 ; MPLPPHPGHPGYINFSYEVL TPLKWYQNMIRHPYTSYGYE PMGGWLHHQIIPVVSQQTPQ SHALQPHHHIPMVPAQQPGI PQQPMMPLPGQHSMTPTQHH QPNLPLPAQQPFQPQPVQPQ PHQPLQPQSPMHPIQPLLPQ PPLPPMFSMQSLLPDLPLEA WPATDKTKREEVD ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states no _Entity.Ambiguous_chem_comp_sites no _Entity.Nstd_monomer no _Entity.Nstd_chirality no _Entity.Nstd_linkage no _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 173 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'all free' _Entity.Src_method . _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight . _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date 2015-11-25 loop_ _Entity_db_link.Ordinal _Entity_db_link.Author_supplied _Entity_db_link.Database_code _Entity_db_link.Accession_code _Entity_db_link.Entry_mol_code _Entity_db_link.Entry_mol_name _Entity_db_link.Entry_experimental_method _Entity_db_link.Entry_structure_resolution _Entity_db_link.Entry_relation_type _Entity_db_link.Entry_details _Entity_db_link.Chimera_segment_ID _Entity_db_link.Seq_query_to_submitted_percent _Entity_db_link.Seq_subject_length _Entity_db_link.Seq_identity _Entity_db_link.Seq_positive _Entity_db_link.Seq_homology_expectation_val _Entity_db_link.Seq_align_begin _Entity_db_link.Seq_align_end _Entity_db_link.Seq_difference_details _Entity_db_link.Seq_alignment_details _Entity_db_link.Entry_ID _Entity_db_link.Entity_ID 1 no GB AAB30102 . "23 kda amelogenin {alternatively spliced} [swine, secretory enamel, Peptide, 161 aa]" . . . . . 93.06 161 100.00 100.00 2.40e-100 . . . . 19161 1 2 no GB AAB30103 . "18 kda amelogenin {alternatively spliced} [swine, secretory enamel, Peptide, 132 aa]" . . . . . 75.14 132 100.00 100.00 9.01e-77 . . . . 19161 1 3 no GB AAB41110 . "amelogenin 173A [Sus scrofa]" . . . . . 100.00 189 100.00 100.00 3.31e-111 . . . . 19161 1 4 no GB AAB41111 . "amelogenin 173B [Sus scrofa]" . . . . . 100.00 189 100.00 100.00 3.31e-111 . . . . 19161 1 5 no GB ABY48722 . "amelogenin, partial [Sus scrofa]" . . . . . 68.79 119 100.00 100.00 1.99e-65 . . . . 19161 1 6 no REF NP_998965 . "amelogenin precursor [Sus scrofa]" . . . . . 100.00 189 100.00 100.00 3.31e-111 . . . . 19161 1 7 no REF NP_999071 . "amelogenin precursor [Sus scrofa]" . . . . . 100.00 189 100.00 100.00 3.31e-111 . . . . 19161 1 8 no SP P45561 . "RecName: Full=Amelogenin; AltName: Full=Amelogenin 173A/173B; AltName: Full=Leucine-rich amelogenin peptide; Short=LRAP; Flags:" . . . . . 100.00 189 100.00 100.00 3.31e-111 . . . . 19161 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 MET . 19161 1 2 2 PRO . 19161 1 3 3 LEU . 19161 1 4 4 PRO . 19161 1 5 5 PRO . 19161 1 6 6 HIS . 19161 1 7 7 PRO . 19161 1 8 8 GLY . 19161 1 9 9 HIS . 19161 1 10 10 PRO . 19161 1 11 11 GLY . 19161 1 12 12 TYR . 19161 1 13 13 ILE . 19161 1 14 14 ASN . 19161 1 15 15 PHE . 19161 1 16 16 SER . 19161 1 17 17 TYR . 19161 1 18 18 GLU . 19161 1 19 19 VAL . 19161 1 20 20 LEU . 19161 1 21 21 THR . 19161 1 22 22 PRO . 19161 1 23 23 LEU . 19161 1 24 24 LYS . 19161 1 25 25 TRP . 19161 1 26 26 TYR . 19161 1 27 27 GLN . 19161 1 28 28 ASN . 19161 1 29 29 MET . 19161 1 30 30 ILE . 19161 1 31 31 ARG . 19161 1 32 32 HIS . 19161 1 33 33 PRO . 19161 1 34 34 TYR . 19161 1 35 35 THR . 19161 1 36 36 SER . 19161 1 37 37 TYR . 19161 1 38 38 GLY . 19161 1 39 39 TYR . 19161 1 40 40 GLU . 19161 1 41 41 PRO . 19161 1 42 42 MET . 19161 1 43 43 GLY . 19161 1 44 44 GLY . 19161 1 45 45 TRP . 19161 1 46 46 LEU . 19161 1 47 47 HIS . 19161 1 48 48 HIS . 19161 1 49 49 GLN . 19161 1 50 50 ILE . 19161 1 51 51 ILE . 19161 1 52 52 PRO . 19161 1 53 53 VAL . 19161 1 54 54 VAL . 19161 1 55 55 SER . 19161 1 56 56 GLN . 19161 1 57 57 GLN . 19161 1 58 58 THR . 19161 1 59 59 PRO . 19161 1 60 60 GLN . 19161 1 61 61 SER . 19161 1 62 62 HIS . 19161 1 63 63 ALA . 19161 1 64 64 LEU . 19161 1 65 65 GLN . 19161 1 66 66 PRO . 19161 1 67 67 HIS . 19161 1 68 68 HIS . 19161 1 69 69 HIS . 19161 1 70 70 ILE . 19161 1 71 71 PRO . 19161 1 72 72 MET . 19161 1 73 73 VAL . 19161 1 74 74 PRO . 19161 1 75 75 ALA . 19161 1 76 76 GLN . 19161 1 77 77 GLN . 19161 1 78 78 PRO . 19161 1 79 79 GLY . 19161 1 80 80 ILE . 19161 1 81 81 PRO . 19161 1 82 82 GLN . 19161 1 83 83 GLN . 19161 1 84 84 PRO . 19161 1 85 85 MET . 19161 1 86 86 MET . 19161 1 87 87 PRO . 19161 1 88 88 LEU . 19161 1 89 89 PRO . 19161 1 90 90 GLY . 19161 1 91 91 GLN . 19161 1 92 92 HIS . 19161 1 93 93 SER . 19161 1 94 94 MET . 19161 1 95 95 THR . 19161 1 96 96 PRO . 19161 1 97 97 THR . 19161 1 98 98 GLN . 19161 1 99 99 HIS . 19161 1 100 100 HIS . 19161 1 101 101 GLN . 19161 1 102 102 PRO . 19161 1 103 103 ASN . 19161 1 104 104 LEU . 19161 1 105 105 PRO . 19161 1 106 106 LEU . 19161 1 107 107 PRO . 19161 1 108 108 ALA . 19161 1 109 109 GLN . 19161 1 110 110 GLN . 19161 1 111 111 PRO . 19161 1 112 112 PHE . 19161 1 113 113 GLN . 19161 1 114 114 PRO . 19161 1 115 115 GLN . 19161 1 116 116 PRO . 19161 1 117 117 VAL . 19161 1 118 118 GLN . 19161 1 119 119 PRO . 19161 1 120 120 GLN . 19161 1 121 121 PRO . 19161 1 122 122 HIS . 19161 1 123 123 GLN . 19161 1 124 124 PRO . 19161 1 125 125 LEU . 19161 1 126 126 GLN . 19161 1 127 127 PRO . 19161 1 128 128 GLN . 19161 1 129 129 SER . 19161 1 130 130 PRO . 19161 1 131 131 MET . 19161 1 132 132 HIS . 19161 1 133 133 PRO . 19161 1 134 134 ILE . 19161 1 135 135 GLN . 19161 1 136 136 PRO . 19161 1 137 137 LEU . 19161 1 138 138 LEU . 19161 1 139 139 PRO . 19161 1 140 140 GLN . 19161 1 141 141 PRO . 19161 1 142 142 PRO . 19161 1 143 143 LEU . 19161 1 144 144 PRO . 19161 1 145 145 PRO . 19161 1 146 146 MET . 19161 1 147 147 PHE . 19161 1 148 148 SER . 19161 1 149 149 MET . 19161 1 150 150 GLN . 19161 1 151 151 SER . 19161 1 152 152 LEU . 19161 1 153 153 LEU . 19161 1 154 154 PRO . 19161 1 155 155 ASP . 19161 1 156 156 LEU . 19161 1 157 157 PRO . 19161 1 158 158 LEU . 19161 1 159 159 GLU . 19161 1 160 160 ALA . 19161 1 161 161 TRP . 19161 1 162 162 PRO . 19161 1 163 163 ALA . 19161 1 164 164 THR . 19161 1 165 165 ASP . 19161 1 166 166 LYS . 19161 1 167 167 THR . 19161 1 168 168 LYS . 19161 1 169 169 ARG . 19161 1 170 170 GLU . 19161 1 171 171 GLU . 19161 1 172 172 VAL . 19161 1 173 173 ASP . 19161 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 . MET 1 1 19161 1 . PRO 2 2 19161 1 . LEU 3 3 19161 1 . PRO 4 4 19161 1 . PRO 5 5 19161 1 . HIS 6 6 19161 1 . PRO 7 7 19161 1 . GLY 8 8 19161 1 . HIS 9 9 19161 1 . PRO 10 10 19161 1 . GLY 11 11 19161 1 . TYR 12 12 19161 1 . ILE 13 13 19161 1 . ASN 14 14 19161 1 . PHE 15 15 19161 1 . SER 16 16 19161 1 . TYR 17 17 19161 1 . GLU 18 18 19161 1 . VAL 19 19 19161 1 . LEU 20 20 19161 1 . THR 21 21 19161 1 . PRO 22 22 19161 1 . LEU 23 23 19161 1 . LYS 24 24 19161 1 . TRP 25 25 19161 1 . TYR 26 26 19161 1 . GLN 27 27 19161 1 . ASN 28 28 19161 1 . MET 29 29 19161 1 . ILE 30 30 19161 1 . ARG 31 31 19161 1 . HIS 32 32 19161 1 . PRO 33 33 19161 1 . TYR 34 34 19161 1 . THR 35 35 19161 1 . SER 36 36 19161 1 . TYR 37 37 19161 1 . GLY 38 38 19161 1 . TYR 39 39 19161 1 . GLU 40 40 19161 1 . PRO 41 41 19161 1 . MET 42 42 19161 1 . GLY 43 43 19161 1 . GLY 44 44 19161 1 . TRP 45 45 19161 1 . LEU 46 46 19161 1 . HIS 47 47 19161 1 . HIS 48 48 19161 1 . GLN 49 49 19161 1 . ILE 50 50 19161 1 . ILE 51 51 19161 1 . PRO 52 52 19161 1 . VAL 53 53 19161 1 . VAL 54 54 19161 1 . SER 55 55 19161 1 . GLN 56 56 19161 1 . GLN 57 57 19161 1 . THR 58 58 19161 1 . PRO 59 59 19161 1 . GLN 60 60 19161 1 . SER 61 61 19161 1 . HIS 62 62 19161 1 . ALA 63 63 19161 1 . LEU 64 64 19161 1 . GLN 65 65 19161 1 . PRO 66 66 19161 1 . HIS 67 67 19161 1 . HIS 68 68 19161 1 . HIS 69 69 19161 1 . ILE 70 70 19161 1 . PRO 71 71 19161 1 . MET 72 72 19161 1 . VAL 73 73 19161 1 . PRO 74 74 19161 1 . ALA 75 75 19161 1 . GLN 76 76 19161 1 . GLN 77 77 19161 1 . PRO 78 78 19161 1 . GLY 79 79 19161 1 . ILE 80 80 19161 1 . PRO 81 81 19161 1 . GLN 82 82 19161 1 . GLN 83 83 19161 1 . PRO 84 84 19161 1 . MET 85 85 19161 1 . MET 86 86 19161 1 . PRO 87 87 19161 1 . LEU 88 88 19161 1 . PRO 89 89 19161 1 . GLY 90 90 19161 1 . GLN 91 91 19161 1 . HIS 92 92 19161 1 . SER 93 93 19161 1 . MET 94 94 19161 1 . THR 95 95 19161 1 . PRO 96 96 19161 1 . THR 97 97 19161 1 . GLN 98 98 19161 1 . HIS 99 99 19161 1 . HIS 100 100 19161 1 . GLN 101 101 19161 1 . PRO 102 102 19161 1 . ASN 103 103 19161 1 . LEU 104 104 19161 1 . PRO 105 105 19161 1 . LEU 106 106 19161 1 . PRO 107 107 19161 1 . ALA 108 108 19161 1 . GLN 109 109 19161 1 . GLN 110 110 19161 1 . PRO 111 111 19161 1 . PHE 112 112 19161 1 . GLN 113 113 19161 1 . PRO 114 114 19161 1 . GLN 115 115 19161 1 . PRO 116 116 19161 1 . VAL 117 117 19161 1 . GLN 118 118 19161 1 . PRO 119 119 19161 1 . GLN 120 120 19161 1 . PRO 121 121 19161 1 . HIS 122 122 19161 1 . GLN 123 123 19161 1 . PRO 124 124 19161 1 . LEU 125 125 19161 1 . GLN 126 126 19161 1 . PRO 127 127 19161 1 . GLN 128 128 19161 1 . SER 129 129 19161 1 . PRO 130 130 19161 1 . MET 131 131 19161 1 . HIS 132 132 19161 1 . PRO 133 133 19161 1 . ILE 134 134 19161 1 . GLN 135 135 19161 1 . PRO 136 136 19161 1 . LEU 137 137 19161 1 . LEU 138 138 19161 1 . PRO 139 139 19161 1 . GLN 140 140 19161 1 . PRO 141 141 19161 1 . PRO 142 142 19161 1 . LEU 143 143 19161 1 . PRO 144 144 19161 1 . PRO 145 145 19161 1 . MET 146 146 19161 1 . PHE 147 147 19161 1 . SER 148 148 19161 1 . MET 149 149 19161 1 . GLN 150 150 19161 1 . SER 151 151 19161 1 . LEU 152 152 19161 1 . LEU 153 153 19161 1 . PRO 154 154 19161 1 . ASP 155 155 19161 1 . LEU 156 156 19161 1 . PRO 157 157 19161 1 . LEU 158 158 19161 1 . GLU 159 159 19161 1 . ALA 160 160 19161 1 . TRP 161 161 19161 1 . PRO 162 162 19161 1 . ALA 163 163 19161 1 . THR 164 164 19161 1 . ASP 165 165 19161 1 . LYS 166 166 19161 1 . THR 167 167 19161 1 . LYS 168 168 19161 1 . ARG 169 169 19161 1 . GLU 170 170 19161 1 . GLU 171 171 19161 1 . VAL 172 172 19161 1 . ASP 173 173 19161 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 19161 _Entity_natural_src_list.ID 1 loop_ _Entity_natural_src.ID _Entity_natural_src.Entity_ID _Entity_natural_src.Entity_label _Entity_natural_src.Entity_chimera_segment_ID _Entity_natural_src.NCBI_taxonomy_ID _Entity_natural_src.Type _Entity_natural_src.Common _Entity_natural_src.Organism_name_scientific _Entity_natural_src.Organism_name_common _Entity_natural_src.Organism_acronym _Entity_natural_src.ICTVdb_decimal_code _Entity_natural_src.Superkingdom _Entity_natural_src.Kingdom _Entity_natural_src.Genus _Entity_natural_src.Species _Entity_natural_src.Strain _Entity_natural_src.Variant _Entity_natural_src.Subvariant _Entity_natural_src.Organ _Entity_natural_src.Tissue _Entity_natural_src.Tissue_fraction _Entity_natural_src.Cell_line _Entity_natural_src.Cell_type _Entity_natural_src.ATCC_number _Entity_natural_src.Organelle _Entity_natural_src.Cellular_location _Entity_natural_src.Fragment _Entity_natural_src.Fraction _Entity_natural_src.Secretion _Entity_natural_src.Plasmid _Entity_natural_src.Plasmid_details _Entity_natural_src.Gene_mnemonic _Entity_natural_src.Dev_stage _Entity_natural_src.Details _Entity_natural_src.Citation_ID _Entity_natural_src.Citation_label _Entity_natural_src.Entry_ID _Entity_natural_src.Entity_natural_src_list_ID 1 1 $Amelogenin . 9823 organism . 'Sus scrofa' Porcine . . Eukaryota Metazoa Sus scrofa . . . . . . . . . . . . . . . . . . . . . 19161 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 19161 _Entity_experimental_src_list.ID 1 loop_ _Entity_experimental_src.ID _Entity_experimental_src.Entity_ID _Entity_experimental_src.Entity_label _Entity_experimental_src.Entity_chimera_segment_ID _Entity_experimental_src.Production_method _Entity_experimental_src.Host_org_scientific_name _Entity_experimental_src.Host_org_name_common _Entity_experimental_src.Host_org_details _Entity_experimental_src.Host_org_NCBI_taxonomy_ID _Entity_experimental_src.Host_org_genus _Entity_experimental_src.Host_org_species _Entity_experimental_src.Host_org_strain _Entity_experimental_src.Host_org_variant _Entity_experimental_src.Host_org_subvariant _Entity_experimental_src.Host_org_organ _Entity_experimental_src.Host_org_tissue _Entity_experimental_src.Host_org_tissue_fraction _Entity_experimental_src.Host_org_cell_line _Entity_experimental_src.Host_org_cell_type _Entity_experimental_src.Host_org_cellular_location _Entity_experimental_src.Host_org_organelle _Entity_experimental_src.Host_org_gene _Entity_experimental_src.Host_org_culture_collection _Entity_experimental_src.Host_org_ATCC_number _Entity_experimental_src.Vector_type _Entity_experimental_src.PDBview_host_org_vector_name _Entity_experimental_src.PDBview_plasmid_name _Entity_experimental_src.Vector_name _Entity_experimental_src.Vector_details _Entity_experimental_src.Vendor_name _Entity_experimental_src.Host_org_dev_stage _Entity_experimental_src.Details _Entity_experimental_src.Citation_ID _Entity_experimental_src.Citation_label _Entity_experimental_src.Entry_ID _Entity_experimental_src.Entity_experimental_src_list_ID 1 1 $Amelogenin . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli 'DE3 codon plus RP' . . . . . . . . . . . . . . . pET11a . . . . . . 19161 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 19161 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '90% H2O/10% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 Amelogenin '[U-13C; U-15N; U-2H]' . . 1 $Amelogenin . . 75 . . uM . . . . 19161 1 2 H2O 'Natural Abundance' . . . . . . 90 . . % . . . . 19161 1 3 D2O 'Natural Abundance' . . . . . . 10 . . % . . . . 19161 1 stop_ save_ save_sample_2 _Sample.Sf_category sample _Sample.Sf_framecode sample_2 _Sample.Entry_ID 19161 _Sample.ID 2 _Sample.Type solution _Sample.Sub_type . _Sample.Details '100mM SDS' _Sample.Aggregate_sample_number . _Sample.Solvent_system '90% H2O/10% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 Amelogenin '[U-13C; U-15N; U-2H]' . . 1 $Amelogenin . . 75 . . uM . . . . 19161 2 2 SDS [U-2H] . . . . . . 100 . . mM . . . . 19161 2 3 H2O 'Natural Abundance' . . . . . . 90 . . % . . . . 19161 2 4 D2O 'Natural Abundance' . . . . . . 10 . . % . . . . 19161 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 19161 _Sample_condition_list.ID 1 _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID 'ionic strength' 0 . M 19161 1 pH 3.8 . pH 19161 1 pressure 1 . atm 19161 1 temperature 293 . K 19161 1 stop_ save_ ############################ # Computer software used # ############################ save_NMRView _Software.Sf_category software _Software.Sf_framecode NMRView _Software.Entry_ID 19161 _Software.ID 1 _Software.Name NMRView _Software.Version 9 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Johnson, One Moon Scientific' . . 19161 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' 19161 1 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 19161 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details cryoprobe _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 800 save_ save_NMR_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode NMR_spectrometer_list _NMR_spectrometer_list.Entry_ID 19161 _NMR_spectrometer_list.ID 1 loop_ _NMR_spectrometer_view.ID _NMR_spectrometer_view.Name _NMR_spectrometer_view.Manufacturer _NMR_spectrometer_view.Model _NMR_spectrometer_view.Serial_number _NMR_spectrometer_view.Field_strength _NMR_spectrometer_view.Details _NMR_spectrometer_view.Citation_ID _NMR_spectrometer_view.Citation_label _NMR_spectrometer_view.Entry_ID _NMR_spectrometer_view.NMR_spectrometer_list_ID 1 spectrometer_1 Bruker Avance . 800 cryoprobe . . 19161 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 19161 _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 . . . . . . . . . . . . . . . . 19161 1 2 '2D 1H-15N HSQC' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 19161 1 3 TROSY no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 19161 1 4 '3D HNCO' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 19161 1 5 '3D HN(CA)CO' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 19161 1 6 '3D HNCACB' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 19161 1 7 '3D HN(CO)CACB' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 19161 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 19161 _Chem_shift_reference.ID 1 _Chem_shift_reference.Details . loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Indirect_shift_ratio_cit_ID _Chem_shift_ref.Indirect_shift_ratio_cit_label _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Correction_val_cit_ID _Chem_shift_ref.Correction_val_cit_label _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C 13 water protons . . . . ppm 4.70 internal indirect 0.25144952 . . . . . . . . . 19161 1 H 1 water protons . . . . ppm 4.70 internal direct 1.00000000 . . . . . . . . . 19161 1 N 15 water protons . . . . ppm 4.70 internal indirect 0.10132905 . . . . . . . . . 19161 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 19161 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $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 3 TROSY . . . 19161 1 4 '3D HNCO' . . . 19161 1 5 '3D HN(CA)CO' . . . 19161 1 6 '3D HNCACB' . . . 19161 1 7 '3D HN(CO)CACB' . . . 19161 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 1 2 2 PRO C C 13 172.1805 0.04 . 1 . . . . 2 PRO C . 19161 1 2 . 1 1 2 2 PRO CA C 13 61.7799 0.33 . 1 . . . . 2 PRO CA . 19161 1 3 . 1 1 2 2 PRO CB C 13 31.9487 0.33 . 1 . . . . 2 PRO CB . 19161 1 4 . 1 1 3 3 LEU H H 1 8.3602 0.01 . 1 . . . . 3 LEU H . 19161 1 5 . 1 1 3 3 LEU C C 13 174.3642 0.04 . 1 . . . . 3 LEU C . 19161 1 6 . 1 1 3 3 LEU CA C 13 53.282 0.33 . 1 . . . . 3 LEU CA . 19161 1 7 . 1 1 3 3 LEU CB C 13 40.2002 0.33 . 1 . . . . 3 LEU CB . 19161 1 8 . 1 1 3 3 LEU N N 15 120.5163 0.05 . 1 . . . . 3 LEU N . 19161 1 9 . 1 1 7 7 PRO C C 13 177.4738 0.04 . 1 . . . . 7 PRO C . 19161 1 10 . 1 1 7 7 PRO CA C 13 63.4738 0.33 . 1 . . . . 7 PRO CA . 19161 1 11 . 1 1 7 7 PRO CB C 13 31.0222 0.33 . 1 . . . . 7 PRO CB . 19161 1 12 . 1 1 8 8 GLY H H 1 8.1727 0.01 . 1 . . . . 8 GLY H . 19161 1 13 . 1 1 8 8 GLY C C 13 173.2289 0.04 . 1 . . . . 8 GLY C . 19161 1 14 . 1 1 8 8 GLY CA C 13 44.6319 0.33 . 1 . . . . 8 GLY CA . 19161 1 15 . 1 1 8 8 GLY N N 15 107.7957 0.05 . 1 . . . . 8 GLY N . 19161 1 16 . 1 1 9 9 HIS H H 1 7.857 0.01 . 1 . . . . 9 HIS H . 19161 1 17 . 1 1 9 9 HIS C C 13 172.276 0.04 . 1 . . . . 9 HIS C . 19161 1 18 . 1 1 9 9 HIS CA C 13 53.261 0.33 . 1 . . . . 9 HIS CA . 19161 1 19 . 1 1 9 9 HIS CB C 13 28.2106 0.33 . 1 . . . . 9 HIS CB . 19161 1 20 . 1 1 9 9 HIS N N 15 116.7693 0.05 . 1 . . . . 9 HIS N . 19161 1 21 . 1 1 10 10 PRO C C 13 177.4632 0.04 . 1 . . . . 10 PRO C . 19161 1 22 . 1 1 10 10 PRO CA C 13 63.3291 0.33 . 1 . . . . 10 PRO CA . 19161 1 23 . 1 1 10 10 PRO CB C 13 31.0641 0.33 . 1 . . . . 10 PRO CB . 19161 1 24 . 1 1 11 11 GLY H H 1 8.2359 0.01 . 1 . . . . 11 GLY H . 19161 1 25 . 1 1 11 11 GLY C C 13 173.8421 0.04 . 1 . . . . 11 GLY C . 19161 1 26 . 1 1 11 11 GLY CA C 13 45.2158 0.33 . 1 . . . . 11 GLY CA . 19161 1 27 . 1 1 11 11 GLY N N 15 108.4604 0.05 . 1 . . . . 11 GLY N . 19161 1 28 . 1 1 12 12 TYR H H 1 7.7652 0.01 . 1 . . . . 12 TYR H . 19161 1 29 . 1 1 12 12 TYR C C 13 175.8711 0.04 . 1 . . . . 12 TYR C . 19161 1 30 . 1 1 12 12 TYR CA C 13 58.2569 0.33 . 1 . . . . 12 TYR CA . 19161 1 31 . 1 1 12 12 TYR CB C 13 38.1277 0.33 . 1 . . . . 12 TYR CB . 19161 1 32 . 1 1 12 12 TYR N N 15 119.7338 0.05 . 1 . . . . 12 TYR N . 19161 1 33 . 1 1 13 13 ILE H H 1 7.6878 0.01 . 1 . . . . 13 ILE H . 19161 1 34 . 1 1 13 13 ILE C C 13 175.4062 0.04 . 1 . . . . 13 ILE C . 19161 1 35 . 1 1 13 13 ILE CA C 13 60.6981 0.33 . 1 . . . . 13 ILE CA . 19161 1 36 . 1 1 13 13 ILE CB C 13 37.6228 0.33 . 1 . . . . 13 ILE CB . 19161 1 37 . 1 1 13 13 ILE N N 15 119.1305 0.05 . 1 . . . . 13 ILE N . 19161 1 38 . 1 1 14 14 ASN H H 1 8.0541 0.01 . 1 . . . . 14 ASN H . 19161 1 39 . 1 1 14 14 ASN C C 13 174.3469 0.04 . 1 . . . . 14 ASN C . 19161 1 40 . 1 1 14 14 ASN CA C 13 52.61 0.33 . 1 . . . . 14 ASN CA . 19161 1 41 . 1 1 14 14 ASN CB C 13 38.3678 0.33 . 1 . . . . 14 ASN CB . 19161 1 42 . 1 1 14 14 ASN N N 15 121.9546 0.05 . 1 . . . . 14 ASN N . 19161 1 43 . 1 1 15 15 PHE H H 1 7.7361 0.01 . 1 . . . . 15 PHE H . 19161 1 44 . 1 1 15 15 PHE C C 13 175.0095 0.04 . 1 . . . . 15 PHE C . 19161 1 45 . 1 1 15 15 PHE CA C 13 57.676 0.33 . 1 . . . . 15 PHE CA . 19161 1 46 . 1 1 15 15 PHE CB C 13 39.1652 0.33 . 1 . . . . 15 PHE CB . 19161 1 47 . 1 1 15 15 PHE N N 15 121.044 0.05 . 1 . . . . 15 PHE N . 19161 1 48 . 1 1 16 16 SER H H 1 7.752 0.01 . 1 . . . . 16 SER H . 19161 1 49 . 1 1 16 16 SER C C 13 174.3695 0.04 . 1 . . . . 16 SER C . 19161 1 50 . 1 1 16 16 SER CA C 13 57.356 0.33 . 1 . . . . 16 SER CA . 19161 1 51 . 1 1 16 16 SER CB C 13 63.2088 0.33 . 1 . . . . 16 SER CB . 19161 1 52 . 1 1 16 16 SER N N 15 117.3122 0.05 . 1 . . . . 16 SER N . 19161 1 53 . 1 1 17 17 TYR H H 1 7.7415 0.01 . 1 . . . . 17 TYR H . 19161 1 54 . 1 1 17 17 TYR C C 13 176.0266 0.04 . 1 . . . . 17 TYR C . 19161 1 55 . 1 1 17 17 TYR CA C 13 58.5413 0.33 . 1 . . . . 17 TYR CA . 19161 1 56 . 1 1 17 17 TYR CB C 13 37.3357 0.33 . 1 . . . . 17 TYR CB . 19161 1 57 . 1 1 17 17 TYR N N 15 121.494 0.05 . 1 . . . . 17 TYR N . 19161 1 58 . 1 1 18 18 GLU H H 1 7.9322 0.01 . 1 . . . . 18 GLU H . 19161 1 59 . 1 1 18 18 GLU C C 13 176.5134 0.04 . 1 . . . . 18 GLU C . 19161 1 60 . 1 1 18 18 GLU CA C 13 56.8728 0.33 . 1 . . . . 18 GLU CA . 19161 1 61 . 1 1 18 18 GLU CB C 13 27.6032 0.33 . 1 . . . . 18 GLU CB . 19161 1 62 . 1 1 18 18 GLU N N 15 119.1671 0.05 . 1 . . . . 18 GLU N . 19161 1 63 . 1 1 19 19 VAL H H 1 7.4462 0.01 . 1 . . . . 19 VAL H . 19161 1 64 . 1 1 19 19 VAL C C 13 175.5556 0.04 . 1 . . . . 19 VAL C . 19161 1 65 . 1 1 19 19 VAL CA C 13 62.0459 0.33 . 1 . . . . 19 VAL CA . 19161 1 66 . 1 1 19 19 VAL CB C 13 31.3232 0.33 . 1 . . . . 19 VAL CB . 19161 1 67 . 1 1 19 19 VAL N N 15 115.4171 0.05 . 1 . . . . 19 VAL N . 19161 1 68 . 1 1 20 20 LEU H H 1 7.6238 0.01 . 1 . . . . 20 LEU H . 19161 1 69 . 1 1 20 20 LEU CA C 13 54.2592 0.33 . 1 . . . . 20 LEU CA . 19161 1 70 . 1 1 20 20 LEU CB C 13 40.9762 0.33 . 1 . . . . 20 LEU CB . 19161 1 71 . 1 1 20 20 LEU N N 15 121.2801 0.05 . 1 . . . . 20 LEU N . 19161 1 72 . 1 1 22 22 PRO C C 13 177.166 0.04 . 1 . . . . 22 PRO C . 19161 1 73 . 1 1 22 22 PRO CA C 13 64.4152 0.33 . 1 . . . . 22 PRO CA . 19161 1 74 . 1 1 22 22 PRO CB C 13 31.1364 0.33 . 1 . . . . 22 PRO CB . 19161 1 75 . 1 1 23 23 LEU H H 1 7.6069 0.01 . 1 . . . . 23 LEU H . 19161 1 76 . 1 1 23 23 LEU C C 13 178.8198 0.04 . 1 . . . . 23 LEU C . 19161 1 77 . 1 1 23 23 LEU CA C 13 57.7092 0.33 . 1 . . . . 23 LEU CA . 19161 1 78 . 1 1 23 23 LEU CB C 13 39.7021 0.33 . 1 . . . . 23 LEU CB . 19161 1 79 . 1 1 23 23 LEU N N 15 117.387 0.05 . 1 . . . . 23 LEU N . 19161 1 80 . 1 1 24 24 LYS H H 1 7.305 0.01 . 1 . . . . 24 LYS H . 19161 1 81 . 1 1 24 24 LYS C C 13 179.0358 0.04 . 1 . . . . 24 LYS C . 19161 1 82 . 1 1 24 24 LYS CA C 13 58.3642 0.33 . 1 . . . . 24 LYS CA . 19161 1 83 . 1 1 24 24 LYS CB C 13 31.036 0.33 . 1 . . . . 24 LYS CB . 19161 1 84 . 1 1 24 24 LYS N N 15 119.652 0.05 . 1 . . . . 24 LYS N . 19161 1 85 . 1 1 25 25 TRP H H 1 7.6954 0.01 . 1 . . . . 25 TRP H . 19161 1 86 . 1 1 25 25 TRP C C 13 178.5114 0.04 . 1 . . . . 25 TRP C . 19161 1 87 . 1 1 25 25 TRP CA C 13 58.4912 0.33 . 1 . . . . 25 TRP CA . 19161 1 88 . 1 1 25 25 TRP CB C 13 27.8422 0.33 . 1 . . . . 25 TRP CB . 19161 1 89 . 1 1 25 25 TRP N N 15 119.0734 0.05 . 1 . . . . 25 TRP N . 19161 1 90 . 1 1 26 26 TYR H H 1 8.0717 0.01 . 1 . . . . 26 TYR H . 19161 1 91 . 1 1 26 26 TYR C C 13 177.9244 0.04 . 1 . . . . 26 TYR C . 19161 1 92 . 1 1 26 26 TYR CA C 13 61.1572 0.33 . 1 . . . . 26 TYR CA . 19161 1 93 . 1 1 26 26 TYR CB C 13 38.1787 0.33 . 1 . . . . 26 TYR CB . 19161 1 94 . 1 1 26 26 TYR N N 15 119.607 0.05 . 1 . . . . 26 TYR N . 19161 1 95 . 1 1 27 27 GLN H H 1 8.2639 0.01 . 1 . . . . 27 GLN H . 19161 1 96 . 1 1 27 27 GLN C C 13 177.64 0.04 . 1 . . . . 27 GLN C . 19161 1 97 . 1 1 27 27 GLN CA C 13 57.6557 0.33 . 1 . . . . 27 GLN CA . 19161 1 98 . 1 1 27 27 GLN CB C 13 27.5146 0.33 . 1 . . . . 27 GLN CB . 19161 1 99 . 1 1 27 27 GLN N N 15 116.9184 0.05 . 1 . . . . 27 GLN N . 19161 1 100 . 1 1 28 28 ASN H H 1 7.7002 0.01 . 1 . . . . 28 ASN H . 19161 1 101 . 1 1 28 28 ASN C C 13 175.6457 0.04 . 1 . . . . 28 ASN C . 19161 1 102 . 1 1 28 28 ASN CB C 13 39.0674 0.33 . 1 . . . . 28 ASN CB . 19161 1 103 . 1 1 28 28 ASN N N 15 116.2978 0.05 . 1 . . . . 28 ASN N . 19161 1 104 . 1 1 29 29 MET H H 1 7.4288 0.01 . 1 . . . . 29 MET H . 19161 1 105 . 1 1 29 29 MET CA C 13 56.4415 0.33 . 1 . . . . 29 MET CA . 19161 1 106 . 1 1 29 29 MET CB C 13 32.5186 0.33 . 1 . . . . 29 MET CB . 19161 1 107 . 1 1 29 29 MET N N 15 120.9896 0.05 . 1 . . . . 29 MET N . 19161 1 108 . 1 1 33 33 PRO C C 13 177.5279 0.04 . 1 . . . . 33 PRO C . 19161 1 109 . 1 1 33 33 PRO CA C 13 62.5537 0.33 . 1 . . . . 33 PRO CA . 19161 1 110 . 1 1 33 33 PRO CB C 13 31.1963 0.33 . 1 . . . . 33 PRO CB . 19161 1 111 . 1 1 34 34 TYR H H 1 8.2618 0.01 . 1 . . . . 34 TYR H . 19161 1 112 . 1 1 34 34 TYR CA C 13 59.7607 0.33 . 1 . . . . 34 TYR CA . 19161 1 113 . 1 1 34 34 TYR CB C 13 37.6829 0.33 . 1 . . . . 34 TYR CB . 19161 1 114 . 1 1 34 34 TYR N N 15 119.0508 0.05 . 1 . . . . 34 TYR N . 19161 1 115 . 1 1 35 35 THR H H 1 7.6941 0.01 . 1 . . . . 35 THR H . 19161 1 116 . 1 1 35 35 THR C C 13 175.7066 0.04 . 1 . . . . 35 THR C . 19161 1 117 . 1 1 35 35 THR CA C 13 62.5553 0.33 . 1 . . . . 35 THR CA . 19161 1 118 . 1 1 35 35 THR CB C 13 69.0088 0.33 . 1 . . . . 35 THR CB . 19161 1 119 . 1 1 35 35 THR N N 15 112.692 0.05 . 1 . . . . 35 THR N . 19161 1 120 . 1 1 36 36 SER H H 1 7.8755 0.01 . 1 . . . . 36 SER H . 19161 1 121 . 1 1 36 36 SER C C 13 174.7128 0.04 . 1 . . . . 36 SER C . 19161 1 122 . 1 1 36 36 SER CA C 13 59.5085 0.33 . 1 . . . . 36 SER CA . 19161 1 123 . 1 1 36 36 SER CB C 13 62.8485 0.33 . 1 . . . . 36 SER CB . 19161 1 124 . 1 1 36 36 SER N N 15 116.7959 0.05 . 1 . . . . 36 SER N . 19161 1 125 . 1 1 37 37 TYR H H 1 7.8015 0.01 . 1 . . . . 37 TYR H . 19161 1 126 . 1 1 37 37 TYR C C 13 176.4471 0.04 . 1 . . . . 37 TYR C . 19161 1 127 . 1 1 37 37 TYR CA C 13 58.7992 0.33 . 1 . . . . 37 TYR CA . 19161 1 128 . 1 1 37 37 TYR CB C 13 37.7715 0.33 . 1 . . . . 37 TYR CB . 19161 1 129 . 1 1 37 37 TYR N N 15 120.9886 0.05 . 1 . . . . 37 TYR N . 19161 1 130 . 1 1 38 38 GLY H H 1 7.8244 0.01 . 1 . . . . 38 GLY H . 19161 1 131 . 1 1 38 38 GLY C C 13 173.6345 0.04 . 1 . . . . 38 GLY C . 19161 1 132 . 1 1 38 38 GLY CA C 13 45.256 0.33 . 1 . . . . 38 GLY CA . 19161 1 133 . 1 1 38 38 GLY N N 15 108.4964 0.05 . 1 . . . . 38 GLY N . 19161 1 134 . 1 1 39 39 TYR H H 1 7.5782 0.01 . 1 . . . . 39 TYR H . 19161 1 135 . 1 1 39 39 TYR C C 13 174.941 0.04 . 1 . . . . 39 TYR C . 19161 1 136 . 1 1 39 39 TYR CA C 13 57.9177 0.33 . 1 . . . . 39 TYR CA . 19161 1 137 . 1 1 39 39 TYR CB C 13 38.2583 0.33 . 1 . . . . 39 TYR CB . 19161 1 138 . 1 1 39 39 TYR N N 15 119.9254 0.05 . 1 . . . . 39 TYR N . 19161 1 139 . 1 1 40 40 GLU H H 1 7.7802 0.01 . 1 . . . . 40 GLU H . 19161 1 140 . 1 1 40 40 GLU C C 13 173.5276 0.04 . 1 . . . . 40 GLU C . 19161 1 141 . 1 1 40 40 GLU CA C 13 53.2847 0.33 . 1 . . . . 40 GLU CA . 19161 1 142 . 1 1 40 40 GLU CB C 13 28.4052 0.33 . 1 . . . . 40 GLU CB . 19161 1 143 . 1 1 40 40 GLU N N 15 122.5334 0.05 . 1 . . . . 40 GLU N . 19161 1 144 . 1 1 42 42 MET C C 13 177.2513 0.04 . 1 . . . . 42 MET C . 19161 1 145 . 1 1 42 42 MET CA C 13 55.522 0.33 . 1 . . . . 42 MET CA . 19161 1 146 . 1 1 43 43 GLY H H 1 8.0798 0.01 . 1 . . . . 43 GLY H . 19161 1 147 . 1 1 43 43 GLY C C 13 175.1155 0.04 . 1 . . . . 43 GLY C . 19161 1 148 . 1 1 43 43 GLY CA C 13 45.5422 0.33 . 1 . . . . 43 GLY CA . 19161 1 149 . 1 1 43 43 GLY N N 15 108.7432 0.05 . 1 . . . . 43 GLY N . 19161 1 150 . 1 1 44 44 GLY H H 1 8.0584 0.01 . 1 . . . . 44 GLY H . 19161 1 151 . 1 1 44 44 GLY C C 13 174.6958 0.04 . 1 . . . . 44 GLY C . 19161 1 152 . 1 1 44 44 GLY CA C 13 45.0253 0.33 . 1 . . . . 44 GLY CA . 19161 1 153 . 1 1 44 44 GLY N N 15 108.8315 0.05 . 1 . . . . 44 GLY N . 19161 1 154 . 1 1 45 45 TRP H H 1 7.757 0.01 . 1 . . . . 45 TRP H . 19161 1 155 . 1 1 45 45 TRP CB C 13 29.8015 0.33 . 1 . . . . 45 TRP CB . 19161 1 156 . 1 1 45 45 TRP N N 15 121.494 0.05 . 1 . . . . 45 TRP N . 19161 1 157 . 1 1 57 57 GLN C C 13 176.0113 0.04 . 1 . . . . 57 GLN C . 19161 1 158 . 1 1 57 57 GLN CA C 13 55.3174 0.33 . 1 . . . . 57 GLN CA . 19161 1 159 . 1 1 57 57 GLN CB C 13 32.3388 0.33 . 1 . . . . 57 GLN CB . 19161 1 160 . 1 1 58 58 THR H H 1 7.9893 0.01 . 1 . . . . 58 THR H . 19161 1 161 . 1 1 58 58 THR CA C 13 58.8699 0.33 . 1 . . . . 58 THR CA . 19161 1 162 . 1 1 58 58 THR CB C 13 69.1847 0.33 . 1 . . . . 58 THR CB . 19161 1 163 . 1 1 58 58 THR N N 15 115.4168 0.05 . 1 . . . . 58 THR N . 19161 1 164 . 1 1 59 59 PRO C C 13 174.6964 0.04 . 1 . . . . 59 PRO C . 19161 1 165 . 1 1 59 59 PRO CA C 13 62.2811 0.33 . 1 . . . . 59 PRO CA . 19161 1 166 . 1 1 59 59 PRO CB C 13 31.1072 0.33 . 1 . . . . 59 PRO CB . 19161 1 167 . 1 1 60 60 GLN H H 1 7.961 0.01 . 1 . . . . 60 GLN H . 19161 1 168 . 1 1 60 60 GLN CA C 13 55.5773 0.33 . 1 . . . . 60 GLN CA . 19161 1 169 . 1 1 60 60 GLN CB C 13 28.5676 0.33 . 1 . . . . 60 GLN CB . 19161 1 170 . 1 1 60 60 GLN N N 15 118.7506 0.05 . 1 . . . . 60 GLN N . 19161 1 171 . 1 1 61 61 SER C C 13 174.3722 0.04 . 1 . . . . 61 SER C . 19161 1 172 . 1 1 61 61 SER CA C 13 58.3458 0.33 . 1 . . . . 61 SER CA . 19161 1 173 . 1 1 61 61 SER CB C 13 62.9107 0.33 . 1 . . . . 61 SER CB . 19161 1 174 . 1 1 62 62 HIS H H 1 8.1633 0.01 . 1 . . . . 62 HIS H . 19161 1 175 . 1 1 62 62 HIS C C 13 173.5299 0.04 . 1 . . . . 62 HIS C . 19161 1 176 . 1 1 62 62 HIS CA C 13 54.9762 0.33 . 1 . . . . 62 HIS CA . 19161 1 177 . 1 1 62 62 HIS CB C 13 28.3807 0.33 . 1 . . . . 62 HIS CB . 19161 1 178 . 1 1 62 62 HIS N N 15 119.799 0.05 . 1 . . . . 62 HIS N . 19161 1 179 . 1 1 63 63 ALA H H 1 8.1044 0.01 . 1 . . . . 63 ALA H . 19161 1 180 . 1 1 63 63 ALA C C 13 177.3295 0.04 . 1 . . . . 63 ALA C . 19161 1 181 . 1 1 63 63 ALA CA C 13 52.3874 0.33 . 1 . . . . 63 ALA CA . 19161 1 182 . 1 1 63 63 ALA CB C 13 18.4376 0.33 . 1 . . . . 63 ALA CB . 19161 1 183 . 1 1 63 63 ALA N N 15 124.1033 0.05 . 1 . . . . 63 ALA N . 19161 1 184 . 1 1 64 64 LEU H H 1 7.9252 0.01 . 1 . . . . 64 LEU H . 19161 1 185 . 1 1 64 64 LEU C C 13 176.3602 0.04 . 1 . . . . 64 LEU C . 19161 1 186 . 1 1 64 64 LEU CA C 13 54.5153 0.33 . 1 . . . . 64 LEU CA . 19161 1 187 . 1 1 64 64 LEU CB C 13 41.1418 0.33 . 1 . . . . 64 LEU CB . 19161 1 188 . 1 1 64 64 LEU N N 15 120.3493 0.05 . 1 . . . . 64 LEU N . 19161 1 189 . 1 1 65 65 GLN H H 1 7.9569 0.01 . 1 . . . . 65 GLN H . 19161 1 190 . 1 1 65 65 GLN C C 13 173.21 0.04 . 1 . . . . 65 GLN C . 19161 1 191 . 1 1 65 65 GLN CA C 13 52.7627 0.33 . 1 . . . . 65 GLN CA . 19161 1 192 . 1 1 65 65 GLN CB C 13 28.6206 0.33 . 1 . . . . 65 GLN CB . 19161 1 193 . 1 1 65 65 GLN N N 15 120.5773 0.05 . 1 . . . . 65 GLN N . 19161 1 194 . 1 1 66 66 PRO C C 13 176.7712 0.04 . 1 . . . . 66 PRO C . 19161 1 195 . 1 1 66 66 PRO CA C 13 62.8827 0.33 . 1 . . . . 66 PRO CA . 19161 1 196 . 1 1 66 66 PRO CB C 13 31.1372 0.33 . 1 . . . . 66 PRO CB . 19161 1 197 . 1 1 67 67 HIS H H 1 8.384 0.01 . 1 . . . . 67 HIS H . 19161 1 198 . 1 1 67 67 HIS C C 13 174.1166 0.04 . 1 . . . . 67 HIS C . 19161 1 199 . 1 1 67 67 HIS CA C 13 54.9872 0.33 . 1 . . . . 67 HIS CA . 19161 1 200 . 1 1 67 67 HIS CB C 13 28.1114 0.33 . 1 . . . . 67 HIS CB . 19161 1 201 . 1 1 67 67 HIS N N 15 117.4681 0.05 . 1 . . . . 67 HIS N . 19161 1 202 . 1 1 68 68 HIS H H 1 8.0556 0.01 . 1 . . . . 68 HIS H . 19161 1 203 . 1 1 68 68 HIS C C 13 173.3252 0.04 . 1 . . . . 68 HIS C . 19161 1 204 . 1 1 68 68 HIS CA C 13 55.2311 0.33 . 1 . . . . 68 HIS CA . 19161 1 205 . 1 1 68 68 HIS CB C 13 28.4667 0.33 . 1 . . . . 68 HIS CB . 19161 1 206 . 1 1 68 68 HIS N N 15 117.5062 0.05 . 1 . . . . 68 HIS N . 19161 1 207 . 1 1 69 69 HIS H H 1 8.223 0.01 . 1 . . . . 69 HIS H . 19161 1 208 . 1 1 69 69 HIS C C 13 173.5854 0.04 . 1 . . . . 69 HIS C . 19161 1 209 . 1 1 69 69 HIS CA C 13 54.9199 0.33 . 1 . . . . 69 HIS CA . 19161 1 210 . 1 1 69 69 HIS CB C 13 28.8034 0.33 . 1 . . . . 69 HIS CB . 19161 1 211 . 1 1 69 69 HIS N N 15 117.8644 0.05 . 1 . . . . 69 HIS N . 19161 1 212 . 1 1 70 70 ILE H H 1 8.0063 0.01 . 1 . . . . 70 ILE H . 19161 1 213 . 1 1 70 70 ILE C C 13 174.6502 0.04 . 1 . . . . 70 ILE C . 19161 1 214 . 1 1 70 70 ILE CA C 13 58.4974 0.33 . 1 . . . . 70 ILE CA . 19161 1 215 . 1 1 70 70 ILE CB C 13 37.2629 0.33 . 1 . . . . 70 ILE CB . 19161 1 216 . 1 1 70 70 ILE N N 15 122.5345 0.05 . 1 . . . . 70 ILE N . 19161 1 217 . 1 1 71 71 PRO C C 13 175.4714 0.04 . 1 . . . . 71 PRO C . 19161 1 218 . 1 1 71 71 PRO CA C 13 63.0412 0.33 . 1 . . . . 71 PRO CA . 19161 1 219 . 1 1 71 71 PRO CB C 13 30.8464 0.33 . 1 . . . . 71 PRO CB . 19161 1 220 . 1 1 72 72 MET H H 1 7.7962 0.01 . 1 . . . . 72 MET H . 19161 1 221 . 1 1 72 72 MET C C 13 175.577 0.04 . 1 . . . . 72 MET C . 19161 1 222 . 1 1 72 72 MET CA C 13 55.0828 0.33 . 1 . . . . 72 MET CA . 19161 1 223 . 1 1 72 72 MET CB C 13 32.4258 0.33 . 1 . . . . 72 MET CB . 19161 1 224 . 1 1 72 72 MET N N 15 117.9606 0.05 . 1 . . . . 72 MET N . 19161 1 225 . 1 1 73 73 VAL H H 1 7.876 0.01 . 1 . . . . 73 VAL H . 19161 1 226 . 1 1 73 73 VAL C C 13 174.6237 0.04 . 1 . . . . 73 VAL C . 19161 1 227 . 1 1 73 73 VAL CA C 13 59.7531 0.33 . 1 . . . . 73 VAL CA . 19161 1 228 . 1 1 73 73 VAL CB C 13 31.5989 0.33 . 1 . . . . 73 VAL CB . 19161 1 229 . 1 1 73 73 VAL N N 15 121.7717 0.05 . 1 . . . . 73 VAL N . 19161 1 230 . 1 1 78 78 PRO C C 13 177.1399 0.04 . 1 . . . . 78 PRO C . 19161 1 231 . 1 1 78 78 PRO CA C 13 62.9636 0.33 . 1 . . . . 78 PRO CA . 19161 1 232 . 1 1 78 78 PRO CB C 13 31.3156 0.33 . 1 . . . . 78 PRO CB . 19161 1 233 . 1 1 79 79 GLY H H 1 8.1992 0.01 . 1 . . . . 79 GLY H . 19161 1 234 . 1 1 79 79 GLY CA C 13 44.3349 0.33 . 1 . . . . 79 GLY CA . 19161 1 235 . 1 1 79 79 GLY N N 15 109.0458 0.05 . 1 . . . . 79 GLY N . 19161 1 236 . 1 1 80 80 ILE H H 1 7.8898 0.01 . 1 . . . . 80 ILE H . 19161 1 237 . 1 1 80 80 ILE C C 13 174.8919 0.04 . 1 . . . . 80 ILE C . 19161 1 238 . 1 1 80 80 ILE CA C 13 59.8854 0.33 . 1 . . . . 80 ILE CA . 19161 1 239 . 1 1 80 80 ILE CB C 13 37.4177 0.33 . 1 . . . . 80 ILE CB . 19161 1 240 . 1 1 80 80 ILE N N 15 121.5728 0.05 . 1 . . . . 80 ILE N . 19161 1 241 . 1 1 84 84 PRO C C 13 176.4422 0.04 . 1 . . . . 84 PRO C . 19161 1 242 . 1 1 84 84 PRO CA C 13 62.7287 0.33 . 1 . . . . 84 PRO CA . 19161 1 243 . 1 1 84 84 PRO CB C 13 31.224 0.33 . 1 . . . . 84 PRO CB . 19161 1 244 . 1 1 85 85 MET H H 1 8.1939 0.01 . 1 . . . . 85 MET H . 19161 1 245 . 1 1 85 85 MET C C 13 175.5926 0.04 . 1 . . . . 85 MET C . 19161 1 246 . 1 1 85 85 MET CA C 13 55.4113 0.33 . 1 . . . . 85 MET CA . 19161 1 247 . 1 1 85 85 MET CB C 13 32.7197 0.33 . 1 . . . . 85 MET CB . 19161 1 248 . 1 1 85 85 MET N N 15 120.4694 0.05 . 1 . . . . 85 MET N . 19161 1 249 . 1 1 86 86 MET H H 1 7.9663 0.01 . 1 . . . . 86 MET H . 19161 1 250 . 1 1 86 86 MET C C 13 173.9015 0.04 . 1 . . . . 86 MET C . 19161 1 251 . 1 1 86 86 MET CA C 13 53.0308 0.33 . 1 . . . . 86 MET CA . 19161 1 252 . 1 1 86 86 MET CB C 13 32.3163 0.33 . 1 . . . . 86 MET CB . 19161 1 253 . 1 1 86 86 MET N N 15 121.4307 0.05 . 1 . . . . 86 MET N . 19161 1 254 . 1 1 87 87 PRO C C 13 175.683 0.04 . 1 . . . . 87 PRO C . 19161 1 255 . 1 1 87 87 PRO CA C 13 62.3549 0.33 . 1 . . . . 87 PRO CA . 19161 1 256 . 1 1 87 87 PRO CB C 13 30.7484 0.33 . 1 . . . . 87 PRO CB . 19161 1 257 . 1 1 88 88 LEU H H 1 7.826 0.01 . 1 . . . . 88 LEU H . 19161 1 258 . 1 1 88 88 LEU C C 13 175.7078 0.04 . 1 . . . . 88 LEU C . 19161 1 259 . 1 1 88 88 LEU CA C 13 52.3893 0.33 . 1 . . . . 88 LEU CA . 19161 1 260 . 1 1 88 88 LEU N N 15 121.406 0.05 . 1 . . . . 88 LEU N . 19161 1 261 . 1 1 89 89 PRO C C 13 177.4388 0.04 . 1 . . . . 89 PRO C . 19161 1 262 . 1 1 89 89 PRO CA C 13 63.1885 0.33 . 1 . . . . 89 PRO CA . 19161 1 263 . 1 1 89 89 PRO CB C 13 30.9424 0.33 . 1 . . . . 89 PRO CB . 19161 1 264 . 1 1 90 90 GLY H H 1 8.2233 0.01 . 1 . . . . 90 GLY H . 19161 1 265 . 1 1 90 90 GLY C C 13 174.5514 0.04 . 1 . . . . 90 GLY C . 19161 1 266 . 1 1 90 90 GLY CA C 13 45.0663 0.33 . 1 . . . . 90 GLY CA . 19161 1 267 . 1 1 90 90 GLY N N 15 108.1868 0.05 . 1 . . . . 90 GLY N . 19161 1 268 . 1 1 91 91 GLN H H 1 7.9555 0.01 . 1 . . . . 91 GLN H . 19161 1 269 . 1 1 91 91 GLN C C 13 175.899 0.04 . 1 . . . . 91 GLN C . 19161 1 270 . 1 1 91 91 GLN CA C 13 55.5403 0.33 . 1 . . . . 91 GLN CA . 19161 1 271 . 1 1 91 91 GLN CB C 13 28.1853 0.33 . 1 . . . . 91 GLN CB . 19161 1 272 . 1 1 91 91 GLN N N 15 118.6206 0.05 . 1 . . . . 91 GLN N . 19161 1 273 . 1 1 92 92 HIS H H 1 8.2601 0.01 . 1 . . . . 92 HIS H . 19161 1 274 . 1 1 92 92 HIS C C 13 173.9724 0.04 . 1 . . . . 92 HIS C . 19161 1 275 . 1 1 92 92 HIS CA C 13 54.9617 0.33 . 1 . . . . 92 HIS CA . 19161 1 276 . 1 1 92 92 HIS CB C 13 28.1575 0.33 . 1 . . . . 92 HIS CB . 19161 1 277 . 1 1 92 92 HIS N N 15 118.2974 0.05 . 1 . . . . 92 HIS N . 19161 1 278 . 1 1 93 93 SER H H 1 8.1379 0.01 . 1 . . . . 93 SER H . 19161 1 279 . 1 1 93 93 SER C C 13 174.2877 0.04 . 1 . . . . 93 SER C . 19161 1 280 . 1 1 93 93 SER CA C 13 58.1545 0.33 . 1 . . . . 93 SER CA . 19161 1 281 . 1 1 93 93 SER CB C 13 63.2821 0.33 . 1 . . . . 93 SER CB . 19161 1 282 . 1 1 93 93 SER N N 15 116.1888 0.05 . 1 . . . . 93 SER N . 19161 1 283 . 1 1 94 94 MET H H 1 8.2214 0.01 . 1 . . . . 94 MET H . 19161 1 284 . 1 1 94 94 MET C C 13 175.5617 0.04 . 1 . . . . 94 MET C . 19161 1 285 . 1 1 94 94 MET CA C 13 55.2134 0.33 . 1 . . . . 94 MET CA . 19161 1 286 . 1 1 94 94 MET CB C 13 32.2722 0.33 . 1 . . . . 94 MET CB . 19161 1 287 . 1 1 94 94 MET N N 15 121.9432 0.05 . 1 . . . . 94 MET N . 19161 1 288 . 1 1 95 95 THR H H 1 8.0044 0.01 . 1 . . . . 95 THR H . 19161 1 289 . 1 1 95 95 THR C C 13 175.5624 0.04 . 1 . . . . 95 THR C . 19161 1 290 . 1 1 95 95 THR CA C 13 58.9922 0.33 . 1 . . . . 95 THR CA . 19161 1 291 . 1 1 95 95 THR CB C 13 69.2289 0.33 . 1 . . . . 95 THR CB . 19161 1 292 . 1 1 95 95 THR N N 15 115.6758 0.05 . 1 . . . . 95 THR N . 19161 1 293 . 1 1 96 96 PRO C C 13 177.1503 0.04 . 1 . . . . 96 PRO C . 19161 1 294 . 1 1 96 96 PRO CA C 13 63.2809 0.33 . 1 . . . . 96 PRO CA . 19161 1 295 . 1 1 96 96 PRO CB C 13 31.1299 0.33 . 1 . . . . 96 PRO CB . 19161 1 296 . 1 1 97 97 THR H H 1 7.9774 0.01 . 1 . . . . 97 THR H . 19161 1 297 . 1 1 97 97 THR C C 13 174.5242 0.04 . 1 . . . . 97 THR C . 19161 1 298 . 1 1 97 97 THR CA C 13 61.7783 0.33 . 1 . . . . 97 THR CA . 19161 1 299 . 1 1 97 97 THR CB C 13 69.2741 0.33 . 1 . . . . 97 THR CB . 19161 1 300 . 1 1 97 97 THR N N 15 112.9725 0.05 . 1 . . . . 97 THR N . 19161 1 301 . 1 1 98 98 GLN H H 1 7.9618 0.01 . 1 . . . . 98 GLN H . 19161 1 302 . 1 1 98 98 GLN C C 13 175.5083 0.04 . 1 . . . . 98 GLN C . 19161 1 303 . 1 1 98 98 GLN CA C 13 55.1585 0.33 . 1 . . . . 98 GLN CA . 19161 1 304 . 1 1 98 98 GLN CB C 13 28.4033 0.33 . 1 . . . . 98 GLN CB . 19161 1 305 . 1 1 98 98 GLN N N 15 120.8182 0.05 . 1 . . . . 98 GLN N . 19161 1 306 . 1 1 99 99 HIS H H 1 8.1494 0.01 . 1 . . . . 99 HIS H . 19161 1 307 . 1 1 99 99 HIS C C 13 173.7168 0.04 . 1 . . . . 99 HIS C . 19161 1 308 . 1 1 99 99 HIS CA C 13 54.9497 0.33 . 1 . . . . 99 HIS CA . 19161 1 309 . 1 1 99 99 HIS CB C 13 28.5108 0.33 . 1 . . . . 99 HIS CB . 19161 1 310 . 1 1 99 99 HIS N N 15 118.5693 0.05 . 1 . . . . 99 HIS N . 19161 1 311 . 1 1 100 100 HIS H H 1 8.1814 0.01 . 1 . . . . 100 HIS H . 19161 1 312 . 1 1 100 100 HIS C C 13 173.1992 0.04 . 1 . . . . 100 HIS C . 19161 1 313 . 1 1 100 100 HIS CA C 13 54.8093 0.33 . 1 . . . . 100 HIS CA . 19161 1 314 . 1 1 100 100 HIS CB C 13 28.7691 0.33 . 1 . . . . 100 HIS CB . 19161 1 315 . 1 1 100 100 HIS N N 15 118.7654 0.05 . 1 . . . . 100 HIS N . 19161 1 316 . 1 1 101 101 GLN H H 1 8.3224 0.01 . 1 . . . . 101 GLN H . 19161 1 317 . 1 1 101 101 GLN C C 13 173.7975 0.04 . 1 . . . . 101 GLN C . 19161 1 318 . 1 1 101 101 GLN CA C 13 53.5094 0.33 . 1 . . . . 101 GLN CA . 19161 1 319 . 1 1 101 101 GLN CB C 13 28.3187 0.33 . 1 . . . . 101 GLN CB . 19161 1 320 . 1 1 101 101 GLN N N 15 122.1837 0.05 . 1 . . . . 101 GLN N . 19161 1 321 . 1 1 102 102 PRO C C 13 175.6569 0.04 . 1 . . . . 102 PRO C . 19161 1 322 . 1 1 102 102 PRO CA C 13 62.5844 0.33 . 1 . . . . 102 PRO CA . 19161 1 323 . 1 1 102 102 PRO CB C 13 30.8548 0.33 . 1 . . . . 102 PRO CB . 19161 1 324 . 1 1 103 103 ASN H H 1 7.9232 0.01 . 1 . . . . 103 ASN H . 19161 1 325 . 1 1 103 103 ASN C C 13 174.1779 0.04 . 1 . . . . 103 ASN C . 19161 1 326 . 1 1 103 103 ASN CA C 13 53.2482 0.33 . 1 . . . . 103 ASN CA . 19161 1 327 . 1 1 103 103 ASN CB C 13 38.4412 0.33 . 1 . . . . 103 ASN CB . 19161 1 328 . 1 1 103 103 ASN N N 15 116.8914 0.05 . 1 . . . . 103 ASN N . 19161 1 329 . 1 1 104 104 LEU H H 1 7.6667 0.01 . 1 . . . . 104 LEU H . 19161 1 330 . 1 1 104 104 LEU C C 13 175.8498 0.04 . 1 . . . . 104 LEU C . 19161 1 331 . 1 1 104 104 LEU CA C 13 52.3188 0.33 . 1 . . . . 104 LEU CA . 19161 1 332 . 1 1 104 104 LEU CB C 13 40.5523 0.33 . 1 . . . . 104 LEU CB . 19161 1 333 . 1 1 104 104 LEU N N 15 120.5575 0.05 . 1 . . . . 104 LEU N . 19161 1 334 . 1 1 105 105 PRO C C 13 176.6303 0.04 . 1 . . . . 105 PRO C . 19161 1 335 . 1 1 105 105 PRO CA C 13 63.0694 0.33 . 1 . . . . 105 PRO CA . 19161 1 336 . 1 1 105 105 PRO CB C 13 31.2836 0.33 . 1 . . . . 105 PRO CB . 19161 1 337 . 1 1 106 106 LEU H H 1 8.0593 0.01 . 1 . . . . 106 LEU H . 19161 1 338 . 1 1 106 106 LEU C C 13 175.4231 0.04 . 1 . . . . 106 LEU C . 19161 1 339 . 1 1 106 106 LEU CA C 13 54.7503 0.33 . 1 . . . . 106 LEU CA . 19161 1 340 . 1 1 106 106 LEU CB C 13 41.2186 0.33 . 1 . . . . 106 LEU CB . 19161 1 341 . 1 1 106 106 LEU N N 15 121.6566 0.05 . 1 . . . . 106 LEU N . 19161 1 342 . 1 1 116 116 PRO C C 13 177.0024 0.04 . 1 . . . . 116 PRO C . 19161 1 343 . 1 1 116 116 PRO CA C 13 62.8076 0.33 . 1 . . . . 116 PRO CA . 19161 1 344 . 1 1 116 116 PRO CB C 13 31.1963 0.33 . 1 . . . . 116 PRO CB . 19161 1 345 . 1 1 117 117 VAL H H 1 8.2358 0.01 . 1 . . . . 117 VAL H . 19161 1 346 . 1 1 117 117 VAL C C 13 176.5555 0.04 . 1 . . . . 117 VAL C . 19161 1 347 . 1 1 117 117 VAL CA C 13 62.7136 0.33 . 1 . . . . 117 VAL CA . 19161 1 348 . 1 1 117 117 VAL CB C 13 31.2736 0.33 . 1 . . . . 117 VAL CB . 19161 1 349 . 1 1 117 117 VAL N N 15 118.3818 0.05 . 1 . . . . 117 VAL N . 19161 1 350 . 1 1 118 118 GLN H H 1 8.1067 0.01 . 1 . . . . 118 GLN H . 19161 1 351 . 1 1 118 118 GLN CB C 13 29.2938 0.33 . 1 . . . . 118 GLN CB . 19161 1 352 . 1 1 118 118 GLN N N 15 120.2097 0.05 . 1 . . . . 118 GLN N . 19161 1 353 . 1 1 121 121 PRO C C 13 176.5394 0.04 . 1 . . . . 121 PRO C . 19161 1 354 . 1 1 121 121 PRO CA C 13 62.6407 0.33 . 1 . . . . 121 PRO CA . 19161 1 355 . 1 1 121 121 PRO CB C 13 31.1472 0.33 . 1 . . . . 121 PRO CB . 19161 1 356 . 1 1 122 122 HIS H H 1 8.2453 0.01 . 1 . . . . 122 HIS H . 19161 1 357 . 1 1 122 122 HIS C C 13 173.7188 0.04 . 1 . . . . 122 HIS C . 19161 1 358 . 1 1 122 122 HIS CA C 13 54.6826 0.33 . 1 . . . . 122 HIS CA . 19161 1 359 . 1 1 122 122 HIS CB C 13 28.8781 0.33 . 1 . . . . 122 HIS CB . 19161 1 360 . 1 1 122 122 HIS N N 15 118.2063 0.05 . 1 . . . . 122 HIS N . 19161 1 361 . 1 1 123 123 GLN H H 1 8.3122 0.01 . 1 . . . . 123 GLN H . 19161 1 362 . 1 1 123 123 GLN C C 13 173.7825 0.04 . 1 . . . . 123 GLN C . 19161 1 363 . 1 1 123 123 GLN CA C 13 53.4116 0.33 . 1 . . . . 123 GLN CA . 19161 1 364 . 1 1 123 123 GLN CB C 13 28.0244 0.33 . 1 . . . . 123 GLN CB . 19161 1 365 . 1 1 123 123 GLN N N 15 122.5762 0.05 . 1 . . . . 123 GLN N . 19161 1 366 . 1 1 124 124 PRO C C 13 177.0445 0.04 . 1 . . . . 124 PRO C . 19161 1 367 . 1 1 124 124 PRO CA C 13 61.7617 0.33 . 1 . . . . 124 PRO CA . 19161 1 368 . 1 1 124 124 PRO CB C 13 31.5608 0.33 . 1 . . . . 124 PRO CB . 19161 1 369 . 1 1 125 125 LEU H H 1 7.9701 0.01 . 1 . . . . 125 LEU H . 19161 1 370 . 1 1 125 125 LEU C C 13 176.3981 0.04 . 1 . . . . 125 LEU C . 19161 1 371 . 1 1 125 125 LEU CA C 13 54.8511 0.33 . 1 . . . . 125 LEU CA . 19161 1 372 . 1 1 125 125 LEU CB C 13 41.1658 0.33 . 1 . . . . 125 LEU CB . 19161 1 373 . 1 1 125 125 LEU N N 15 120.7314 0.05 . 1 . . . . 125 LEU N . 19161 1 374 . 1 1 126 126 GLN H H 1 7.9688 0.01 . 1 . . . . 126 GLN H . 19161 1 375 . 1 1 126 126 GLN C C 13 173.602 0.04 . 1 . . . . 126 GLN C . 19161 1 376 . 1 1 126 126 GLN CA C 13 53.043 0.33 . 1 . . . . 126 GLN CA . 19161 1 377 . 1 1 126 126 GLN CB C 13 28.5322 0.33 . 1 . . . . 126 GLN CB . 19161 1 378 . 1 1 126 126 GLN N N 15 119.8274 0.05 . 1 . . . . 126 GLN N . 19161 1 379 . 1 1 127 127 PRO C C 13 176.7252 0.04 . 1 . . . . 127 PRO C . 19161 1 380 . 1 1 127 127 PRO CA C 13 62.9142 0.33 . 1 . . . . 127 PRO CA . 19161 1 381 . 1 1 127 127 PRO CB C 13 30.9424 0.33 . 1 . . . . 127 PRO CB . 19161 1 382 . 1 1 128 128 GLN H H 1 8.2526 0.01 . 1 . . . . 128 GLN H . 19161 1 383 . 1 1 128 128 GLN C C 13 175.5785 0.04 . 1 . . . . 128 GLN C . 19161 1 384 . 1 1 128 128 GLN CA C 13 55.4598 0.33 . 1 . . . . 128 GLN CA . 19161 1 385 . 1 1 128 128 GLN CB C 13 28.6965 0.33 . 1 . . . . 128 GLN CB . 19161 1 386 . 1 1 128 128 GLN N N 15 119.3412 0.05 . 1 . . . . 128 GLN N . 19161 1 387 . 1 1 129 129 SER H H 1 7.9624 0.01 . 1 . . . . 129 SER H . 19161 1 388 . 1 1 129 129 SER C C 13 175.579 0.04 . 1 . . . . 129 SER C . 19161 1 389 . 1 1 129 129 SER CA C 13 55.6203 0.33 . 1 . . . . 129 SER CA . 19161 1 390 . 1 1 129 129 SER CB C 13 62.9832 0.33 . 1 . . . . 129 SER CB . 19161 1 391 . 1 1 129 129 SER N N 15 115.9403 0.05 . 1 . . . . 129 SER N . 19161 1 392 . 1 1 130 130 PRO C C 13 176.7083 0.04 . 1 . . . . 130 PRO C . 19161 1 393 . 1 1 130 130 PRO CA C 13 63.1538 0.33 . 1 . . . . 130 PRO CA . 19161 1 394 . 1 1 130 130 PRO CB C 13 31.1345 0.33 . 1 . . . . 130 PRO CB . 19161 1 395 . 1 1 131 131 MET H H 1 8.0332 0.01 . 1 . . . . 131 MET H . 19161 1 396 . 1 1 131 131 MET C C 13 175.331 0.04 . 1 . . . . 131 MET C . 19161 1 397 . 1 1 131 131 MET CA C 13 55.1317 0.33 . 1 . . . . 131 MET CA . 19161 1 398 . 1 1 131 131 MET CB C 13 32.1097 0.33 . 1 . . . . 131 MET CB . 19161 1 399 . 1 1 131 131 MET N N 15 119.2176 0.05 . 1 . . . . 131 MET N . 19161 1 400 . 1 1 132 132 HIS H H 1 7.8901 0.01 . 1 . . . . 132 HIS H . 19161 1 401 . 1 1 132 132 HIS C C 13 171.9016 0.04 . 1 . . . . 132 HIS C . 19161 1 402 . 1 1 132 132 HIS CA C 13 52.9015 0.33 . 1 . . . . 132 HIS CA . 19161 1 403 . 1 1 132 132 HIS CB C 13 28.2073 0.33 . 1 . . . . 132 HIS CB . 19161 1 404 . 1 1 132 132 HIS N N 15 117.4322 0.05 . 1 . . . . 132 HIS N . 19161 1 405 . 1 1 136 136 PRO C C 13 175.8753 0.04 . 1 . . . . 136 PRO C . 19161 1 406 . 1 1 136 136 PRO CA C 13 62.6963 0.33 . 1 . . . . 136 PRO CA . 19161 1 407 . 1 1 136 136 PRO CB C 13 31.1016 0.33 . 1 . . . . 136 PRO CB . 19161 1 408 . 1 1 137 137 LEU H H 1 8.2749 0.01 . 1 . . . . 137 LEU H . 19161 1 409 . 1 1 137 137 LEU C C 13 174.2262 0.04 . 1 . . . . 137 LEU C . 19161 1 410 . 1 1 137 137 LEU CA C 13 52.6498 0.33 . 1 . . . . 137 LEU CA . 19161 1 411 . 1 1 137 137 LEU CB C 13 38.2301 0.33 . 1 . . . . 137 LEU CB . 19161 1 412 . 1 1 137 137 LEU N N 15 119.0749 0.05 . 1 . . . . 137 LEU N . 19161 1 413 . 1 1 138 138 LEU H H 1 7.8616 0.01 . 1 . . . . 138 LEU H . 19161 1 414 . 1 1 138 138 LEU C C 13 175.1187 0.04 . 1 . . . . 138 LEU C . 19161 1 415 . 1 1 138 138 LEU CA C 13 52.3961 0.33 . 1 . . . . 138 LEU CA . 19161 1 416 . 1 1 138 138 LEU CB C 13 41.4796 0.33 . 1 . . . . 138 LEU CB . 19161 1 417 . 1 1 138 138 LEU N N 15 122.5238 0.05 . 1 . . . . 138 LEU N . 19161 1 418 . 1 1 139 139 PRO C C 13 175.5987 0.04 . 1 . . . . 139 PRO C . 19161 1 419 . 1 1 139 139 PRO CA C 13 62.5445 0.33 . 1 . . . . 139 PRO CA . 19161 1 420 . 1 1 139 139 PRO CB C 13 31.0275 0.33 . 1 . . . . 139 PRO CB . 19161 1 421 . 1 1 140 140 GLN H H 1 8.1759 0.01 . 1 . . . . 140 GLN H . 19161 1 422 . 1 1 140 140 GLN C C 13 172.7799 0.04 . 1 . . . . 140 GLN C . 19161 1 423 . 1 1 140 140 GLN CA C 13 52.5157 0.33 . 1 . . . . 140 GLN CA . 19161 1 424 . 1 1 140 140 GLN CB C 13 27.4971 0.33 . 1 . . . . 140 GLN CB . 19161 1 425 . 1 1 140 140 GLN N N 15 115.7611 0.05 . 1 . . . . 140 GLN N . 19161 1 426 . 1 1 142 142 PRO C C 13 175.4992 0.04 . 1 . . . . 142 PRO C . 19161 1 427 . 1 1 142 142 PRO CA C 13 62.2585 0.33 . 1 . . . . 142 PRO CA . 19161 1 428 . 1 1 142 142 PRO CB C 13 29.906 0.33 . 1 . . . . 142 PRO CB . 19161 1 429 . 1 1 143 143 LEU H H 1 7.6088 0.01 . 1 . . . . 143 LEU H . 19161 1 430 . 1 1 143 143 LEU C C 13 174.9083 0.04 . 1 . . . . 143 LEU C . 19161 1 431 . 1 1 143 143 LEU CA C 13 52.2434 0.33 . 1 . . . . 143 LEU CA . 19161 1 432 . 1 1 143 143 LEU CB C 13 41.002 0.33 . 1 . . . . 143 LEU CB . 19161 1 433 . 1 1 143 143 LEU N N 15 121.0065 0.05 . 1 . . . . 143 LEU N . 19161 1 434 . 1 1 145 145 PRO C C 13 177.4098 0.04 . 1 . . . . 145 PRO C . 19161 1 435 . 1 1 145 145 PRO CA C 13 63.4737 0.33 . 1 . . . . 145 PRO CA . 19161 1 436 . 1 1 145 145 PRO CB C 13 30.9491 0.33 . 1 . . . . 145 PRO CB . 19161 1 437 . 1 1 146 146 MET H H 1 8.1874 0.01 . 1 . . . . 146 MET H . 19161 1 438 . 1 1 146 146 MET C C 13 175.954 0.04 . 1 . . . . 146 MET C . 19161 1 439 . 1 1 146 146 MET CA C 13 55.6696 0.33 . 1 . . . . 146 MET CA . 19161 1 440 . 1 1 146 146 MET CB C 13 30.4976 0.33 . 1 . . . . 146 MET CB . 19161 1 441 . 1 1 146 146 MET N N 15 116.9058 0.05 . 1 . . . . 146 MET N . 19161 1 442 . 1 1 147 147 PHE H H 1 7.636 0.01 . 1 . . . . 147 PHE H . 19161 1 443 . 1 1 147 147 PHE C C 13 174.9 0.04 . 1 . . . . 147 PHE C . 19161 1 444 . 1 1 147 147 PHE CA C 13 58.0551 0.33 . 1 . . . . 147 PHE CA . 19161 1 445 . 1 1 147 147 PHE CB C 13 39.0221 0.33 . 1 . . . . 147 PHE CB . 19161 1 446 . 1 1 147 147 PHE N N 15 120.1803 0.05 . 1 . . . . 147 PHE N . 19161 1 447 . 1 1 148 148 SER H H 1 7.6149 0.01 . 1 . . . . 148 SER H . 19161 1 448 . 1 1 148 148 SER C C 13 175.026 0.04 . 1 . . . . 148 SER C . 19161 1 449 . 1 1 148 148 SER CA C 13 56.9678 0.33 . 1 . . . . 148 SER CA . 19161 1 450 . 1 1 148 148 SER CB C 13 63.74 0.33 . 1 . . . . 148 SER CB . 19161 1 451 . 1 1 148 148 SER N N 15 117.5876 0.05 . 1 . . . . 148 SER N . 19161 1 452 . 1 1 149 149 MET H H 1 8.4749 0.01 . 1 . . . . 149 MET H . 19161 1 453 . 1 1 149 149 MET C C 13 177.5353 0.04 . 1 . . . . 149 MET C . 19161 1 454 . 1 1 149 149 MET CA C 13 56.8386 0.33 . 1 . . . . 149 MET CA . 19161 1 455 . 1 1 149 149 MET CB C 13 31.0561 0.33 . 1 . . . . 149 MET CB . 19161 1 456 . 1 1 149 149 MET N N 15 124.5229 0.05 . 1 . . . . 149 MET N . 19161 1 457 . 1 1 150 150 GLN H H 1 8.0539 0.01 . 1 . . . . 150 GLN H . 19161 1 458 . 1 1 150 150 GLN C C 13 177.5148 0.04 . 1 . . . . 150 GLN C . 19161 1 459 . 1 1 150 150 GLN CA C 13 58.0 0.33 . 1 . . . . 150 GLN CA . 19161 1 460 . 1 1 150 150 GLN CB C 13 27.6344 0.33 . 1 . . . . 150 GLN CB . 19161 1 461 . 1 1 150 150 GLN N N 15 116.8531 0.05 . 1 . . . . 150 GLN N . 19161 1 462 . 1 1 151 151 SER H H 1 7.6705 0.01 . 1 . . . . 151 SER H . 19161 1 463 . 1 1 151 151 SER C C 13 174.5184 0.04 . 1 . . . . 151 SER C . 19161 1 464 . 1 1 151 151 SER CA C 13 59.3813 0.33 . 1 . . . . 151 SER CA . 19161 1 465 . 1 1 151 151 SER CB C 13 62.6212 0.33 . 1 . . . . 151 SER CB . 19161 1 466 . 1 1 151 151 SER N N 15 113.9813 0.05 . 1 . . . . 151 SER N . 19161 1 467 . 1 1 152 152 LEU H H 1 7.502 0.01 . 1 . . . . 152 LEU H . 19161 1 468 . 1 1 152 152 LEU C C 13 177.2117 0.04 . 1 . . . . 152 LEU C . 19161 1 469 . 1 1 152 152 LEU CA C 13 55.4089 0.33 . 1 . . . . 152 LEU CA . 19161 1 470 . 1 1 152 152 LEU CB C 13 42.102 0.33 . 1 . . . . 152 LEU CB . 19161 1 471 . 1 1 152 152 LEU N N 15 121.2267 0.05 . 1 . . . . 152 LEU N . 19161 1 472 . 1 1 153 153 LEU H H 1 7.409 0.01 . 1 . . . . 153 LEU H . 19161 1 473 . 1 1 153 153 LEU C C 13 175.4856 0.04 . 1 . . . . 153 LEU C . 19161 1 474 . 1 1 153 153 LEU CA C 13 55.6965 0.33 . 1 . . . . 153 LEU CA . 19161 1 475 . 1 1 153 153 LEU CB C 13 39.5756 0.33 . 1 . . . . 153 LEU CB . 19161 1 476 . 1 1 153 153 LEU N N 15 118.3439 0.05 . 1 . . . . 153 LEU N . 19161 1 477 . 1 1 154 154 PRO C C 13 176.5166 0.04 . 1 . . . . 154 PRO C . 19161 1 478 . 1 1 154 154 PRO CA C 13 63.5493 0.33 . 1 . . . . 154 PRO CA . 19161 1 479 . 1 1 154 154 PRO CB C 13 30.6886 0.33 . 1 . . . . 154 PRO CB . 19161 1 480 . 1 1 155 155 ASP H H 1 7.9683 0.01 . 1 . . . . 155 ASP H . 19161 1 481 . 1 1 155 155 ASP C C 13 175.1774 0.04 . 1 . . . . 155 ASP C . 19161 1 482 . 1 1 155 155 ASP CA C 13 52.9425 0.33 . 1 . . . . 155 ASP CA . 19161 1 483 . 1 1 155 155 ASP CB C 13 38.214 0.33 . 1 . . . . 155 ASP CB . 19161 1 484 . 1 1 155 155 ASP N N 15 116.3705 0.05 . 1 . . . . 155 ASP N . 19161 1 485 . 1 1 156 156 LEU H H 1 7.6786 0.01 . 1 . . . . 156 LEU H . 19161 1 486 . 1 1 156 156 LEU C C 13 175.9022 0.04 . 1 . . . . 156 LEU C . 19161 1 487 . 1 1 156 156 LEU CA C 13 52.777 0.33 . 1 . . . . 156 LEU CA . 19161 1 488 . 1 1 156 156 LEU CB C 13 41.4544 0.33 . 1 . . . . 156 LEU CB . 19161 1 489 . 1 1 156 156 LEU N N 15 121.8435 0.05 . 1 . . . . 156 LEU N . 19161 1 490 . 1 1 157 157 PRO C C 13 176.0396 0.04 . 1 . . . . 157 PRO C . 19161 1 491 . 1 1 157 157 PRO CA C 13 62.8516 0.33 . 1 . . . . 157 PRO CA . 19161 1 492 . 1 1 157 157 PRO CB C 13 29.4875 0.33 . 1 . . . . 157 PRO CB . 19161 1 493 . 1 1 158 158 LEU H H 1 7.557 0.01 . 1 . . . . 158 LEU H . 19161 1 494 . 1 1 158 158 LEU C C 13 177.4935 0.04 . 1 . . . . 158 LEU C . 19161 1 495 . 1 1 158 158 LEU CA C 13 55.3076 0.33 . 1 . . . . 158 LEU CA . 19161 1 496 . 1 1 158 158 LEU CB C 13 40.9692 0.33 . 1 . . . . 158 LEU CB . 19161 1 497 . 1 1 158 158 LEU N N 15 120.2105 0.05 . 1 . . . . 158 LEU N . 19161 1 498 . 1 1 159 159 GLU H H 1 8.1077 0.01 . 1 . . . . 159 GLU H . 19161 1 499 . 1 1 159 159 GLU C C 13 175.5826 0.04 . 1 . . . . 159 GLU C . 19161 1 500 . 1 1 159 159 GLU CA C 13 56.1592 0.33 . 1 . . . . 159 GLU CA . 19161 1 501 . 1 1 159 159 GLU CB C 13 27.8794 0.33 . 1 . . . . 159 GLU CB . 19161 1 502 . 1 1 159 159 GLU N N 15 117.9496 0.05 . 1 . . . . 159 GLU N . 19161 1 503 . 1 1 160 160 ALA H H 1 7.6936 0.01 . 1 . . . . 160 ALA H . 19161 1 504 . 1 1 160 160 ALA C C 13 176.5985 0.04 . 1 . . . . 160 ALA C . 19161 1 505 . 1 1 160 160 ALA CA C 13 51.3028 0.33 . 1 . . . . 160 ALA CA . 19161 1 506 . 1 1 160 160 ALA CB C 13 18.821 0.33 . 1 . . . . 160 ALA CB . 19161 1 507 . 1 1 160 160 ALA N N 15 121.7705 0.05 . 1 . . . . 160 ALA N . 19161 1 508 . 1 1 161 161 TRP H H 1 7.7779 0.01 . 1 . . . . 161 TRP H . 19161 1 509 . 1 1 161 161 TRP C C 13 175.0996 0.04 . 1 . . . . 161 TRP C . 19161 1 510 . 1 1 161 161 TRP CA C 13 55.3539 0.33 . 1 . . . . 161 TRP CA . 19161 1 511 . 1 1 161 161 TRP CB C 13 28.2664 0.33 . 1 . . . . 161 TRP CB . 19161 1 512 . 1 1 161 161 TRP N N 15 121.2936 0.05 . 1 . . . . 161 TRP N . 19161 1 513 . 1 1 162 162 PRO C C 13 176.044 0.04 . 1 . . . . 162 PRO C . 19161 1 514 . 1 1 162 162 PRO CA C 13 63.3662 0.33 . 1 . . . . 162 PRO CA . 19161 1 515 . 1 1 162 162 PRO CB C 13 30.7856 0.33 . 1 . . . . 162 PRO CB . 19161 1 516 . 1 1 163 163 ALA H H 1 7.6587 0.01 . 1 . . . . 163 ALA H . 19161 1 517 . 1 1 163 163 ALA C C 13 178.0054 0.04 . 1 . . . . 163 ALA C . 19161 1 518 . 1 1 163 163 ALA CA C 13 52.282 0.33 . 1 . . . . 163 ALA CA . 19161 1 519 . 1 1 163 163 ALA CB C 13 18.2458 0.33 . 1 . . . . 163 ALA CB . 19161 1 520 . 1 1 163 163 ALA N N 15 121.7377 0.05 . 1 . . . . 163 ALA N . 19161 1 521 . 1 1 164 164 THR H H 1 7.8265 0.01 . 1 . . . . 164 THR H . 19161 1 522 . 1 1 164 164 THR C C 13 174.7844 0.04 . 1 . . . . 164 THR C . 19161 1 523 . 1 1 164 164 THR CA C 13 61.6469 0.33 . 1 . . . . 164 THR CA . 19161 1 524 . 1 1 164 164 THR CB C 13 69.3472 0.33 . 1 . . . . 164 THR CB . 19161 1 525 . 1 1 164 164 THR N N 15 111.8272 0.05 . 1 . . . . 164 THR N . 19161 1 526 . 1 1 165 165 ASP H H 1 8.169 0.01 . 1 . . . . 165 ASP H . 19161 1 527 . 1 1 165 165 ASP C C 13 176.2601 0.04 . 1 . . . . 165 ASP C . 19161 1 528 . 1 1 165 165 ASP CA C 13 53.7557 0.33 . 1 . . . . 165 ASP CA . 19161 1 529 . 1 1 165 165 ASP CB C 13 38.9297 0.33 . 1 . . . . 165 ASP CB . 19161 1 530 . 1 1 165 165 ASP N N 15 121.046 0.05 . 1 . . . . 165 ASP N . 19161 1 531 . 1 1 166 166 LYS H H 1 8.0944 0.01 . 1 . . . . 166 LYS H . 19161 1 532 . 1 1 166 166 LYS C C 13 176.9999 0.04 . 1 . . . . 166 LYS C . 19161 1 533 . 1 1 166 166 LYS CA C 13 56.7243 0.33 . 1 . . . . 166 LYS CA . 19161 1 534 . 1 1 166 166 LYS CB C 13 31.5813 0.33 . 1 . . . . 166 LYS CB . 19161 1 535 . 1 1 166 166 LYS N N 15 121.3018 0.05 . 1 . . . . 166 LYS N . 19161 1 536 . 1 1 167 167 THR H H 1 7.84 0.01 . 1 . . . . 167 THR H . 19161 1 537 . 1 1 167 167 THR C C 13 175.0838 0.04 . 1 . . . . 167 THR C . 19161 1 538 . 1 1 167 167 THR CA C 13 62.136 0.33 . 1 . . . . 167 THR CA . 19161 1 539 . 1 1 167 167 THR CB C 13 69.1358 0.33 . 1 . . . . 167 THR CB . 19161 1 540 . 1 1 167 167 THR N N 15 112.3751 0.05 . 1 . . . . 167 THR N . 19161 1 541 . 1 1 168 168 LYS H H 1 7.8638 0.01 . 1 . . . . 168 LYS H . 19161 1 542 . 1 1 168 168 LYS C C 13 177.1758 0.04 . 1 . . . . 168 LYS C . 19161 1 543 . 1 1 168 168 LYS CA C 13 56.5981 0.33 . 1 . . . . 168 LYS CA . 19161 1 544 . 1 1 168 168 LYS CB C 13 31.4647 0.33 . 1 . . . . 168 LYS CB . 19161 1 545 . 1 1 168 168 LYS N N 15 122.1127 0.05 . 1 . . . . 168 LYS N . 19161 1 546 . 1 1 169 169 ARG H H 1 7.9245 0.01 . 1 . . . . 169 ARG H . 19161 1 547 . 1 1 169 169 ARG C C 13 176.4767 0.04 . 1 . . . . 169 ARG C . 19161 1 548 . 1 1 169 169 ARG CA C 13 56.2091 0.33 . 1 . . . . 169 ARG CA . 19161 1 549 . 1 1 169 169 ARG CB C 13 29.5263 0.33 . 1 . . . . 169 ARG CB . 19161 1 550 . 1 1 169 169 ARG N N 15 120.3652 0.05 . 1 . . . . 169 ARG N . 19161 1 551 . 1 1 170 170 GLU H H 1 7.9658 0.01 . 1 . . . . 170 GLU H . 19161 1 552 . 1 1 170 170 GLU C C 13 175.9723 0.04 . 1 . . . . 170 GLU C . 19161 1 553 . 1 1 170 170 GLU CA C 13 55.4102 0.33 . 1 . . . . 170 GLU CA . 19161 1 554 . 1 1 170 170 GLU CB C 13 28.5712 0.33 . 1 . . . . 170 GLU CB . 19161 1 555 . 1 1 170 170 GLU N N 15 120.2674 0.05 . 1 . . . . 170 GLU N . 19161 1 556 . 1 1 171 171 GLU H H 1 8.1615 0.01 . 1 . . . . 171 GLU H . 19161 1 557 . 1 1 171 171 GLU C C 13 175.8875 0.04 . 1 . . . . 171 GLU C . 19161 1 558 . 1 1 171 171 GLU CA C 13 55.5706 0.33 . 1 . . . . 171 GLU CA . 19161 1 559 . 1 1 171 171 GLU CB C 13 28.4856 0.33 . 1 . . . . 171 GLU CB . 19161 1 560 . 1 1 171 171 GLU N N 15 122.3594 0.05 . 1 . . . . 171 GLU N . 19161 1 561 . 1 1 172 172 VAL H H 1 8.0838 0.01 . 1 . . . . 172 VAL H . 19161 1 562 . 1 1 172 172 VAL C C 13 175.1601 0.04 . 1 . . . . 172 VAL C . 19161 1 563 . 1 1 172 172 VAL CA C 13 61.682 0.33 . 1 . . . . 172 VAL CA . 19161 1 564 . 1 1 172 172 VAL CB C 13 31.966 0.33 . 1 . . . . 172 VAL CB . 19161 1 565 . 1 1 172 172 VAL N N 15 122.1839 0.05 . 1 . . . . 172 VAL N . 19161 1 566 . 1 1 173 173 ASP H H 1 8.0046 0.01 . 1 . . . . 173 ASP H . 19161 1 567 . 1 1 173 173 ASP CA C 13 54.3002 0.33 . 1 . . . . 173 ASP CA . 19161 1 568 . 1 1 173 173 ASP CB C 13 40.2103 0.33 . 1 . . . . 173 ASP CB . 19161 1 569 . 1 1 173 173 ASP N N 15 128.2287 0.05 . 1 . . . . 173 ASP N . 19161 1 stop_ save_