data_17391 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 17391 _Entry.Title ; A protein from Haloferax volcanii ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2011-01-03 _Entry.Accession_date 2011-01-03 _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 Wen Zhang . . . 17391 2 Shanhui Liao . . . 17391 3 Kai Fan . . . 17391 4 Xiaoming Tu . . . 17391 stop_ loop_ _SG_project.SG_project_ID _SG_project.Project_name _SG_project.Full_name_of_center _SG_project.Initial_of_center _SG_project.Entry_ID 1 'not applicable' 'not applicable' . 17391 stop_ loop_ _Struct_keywords.Keywords _Struct_keywords.Text _Struct_keywords.Entry_ID NMR . 17391 'protein binding' . 17391 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 17391 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 183 17391 '15N chemical shifts' 75 17391 '1H chemical shifts' 409 17391 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 . . 2014-07-15 2011-01-03 update BMRB 'update entry citation' 17391 1 . . 2012-01-11 2011-01-03 original author 'original release' 17391 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 2L83 'BMRB Entry Tracking System' 17391 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 17391 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI 10.1002/pro.2302 _Citation.PubMed_ID 23818097 _Citation.Full_citation . _Citation.Title 'Ionic strength-dependent conformations of a ubiquitin-like small archaeal modifier protein (SAMP1) from Haloferax volcanii.' _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'Protein Sci.' _Citation.Journal_name_full 'Protein science : a publication of the Protein Society' _Citation.Journal_volume 22 _Citation.Journal_issue 9 _Citation.Journal_ASTM . _Citation.Journal_ISSN 1469-896X _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 1174 _Citation.Page_last 1182 _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.Entry_ID _Citation_author.Citation_ID 1 Kaiqin Ye K. . . 17391 1 2 Shanhui Liao S. . . 17391 1 3 Wen Zhang W. . . 17391 1 4 Kai Fan K. . . 17391 1 5 Xuecheng Zhang X. . . 17391 1 6 Jiahai Zhang J. . . 17391 1 7 Chao Xu C. . . 17391 1 8 Xiaoming Tu X. . . 17391 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 17391 _Assembly.ID 1 _Assembly.Name 'protein from Haloferax volcanii' _Assembly.BMRB_code . _Assembly.Number_of_components 1 _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 'protein from Haloferax volcanii' 1 $entity A . yes native no no . . . 17391 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity _Entity.Sf_category entity _Entity.Sf_framecode entity _Entity.Entry_ID 17391 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name entity _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID A _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; MEWKLFADLAEVAGSRTVRV DVDGDATVGDALDALVGAHP ALESRVFGDDGELYDHINVL RNGEAAALGEATAAGDELAL FPPVSGGMEWKLFADLAEVA GSRTVRVDVDGDATVGDALD ALVGAHPALESRVFGDDGEL YDHINVLRNGEAAALGEATA AGDELALFPPVSGG ; _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 174 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state . _Entity.Src_method man _Entity.Parent_entity_ID 1 _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 17869.711 _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 PDB 2L83 . "A Protein From Haloferax Volcanii" . . . . . 50.00 95 100.00 100.00 3.20e-50 . . . . 17391 1 2 no PDB 3PO0 . "Crystal Structure Of Samp1 From Haloferax Volcanii" . . . . . 50.00 89 100.00 100.00 3.60e-50 . . . . 17391 1 3 no PDB 4HRO . "Crystal Structure Of H. Volcanii Small Archaeal Modifier Protein 1" . . . . . 50.00 90 100.00 100.00 5.02e-50 . . . . 17391 1 4 no GB ADE04519 . "ubiquitin-like modifier protein SAMP1 [Haloferax volcanii DS2]" . . . . . 50.00 87 100.00 100.00 3.32e-50 . . . . 17391 1 5 no GB ELY32526 . "molybdopterin converting factor subunit 1 [Haloferax volcanii DS2]" . . . . . 50.00 87 100.00 100.00 3.32e-50 . . . . 17391 1 6 no GB ELZ76793 . "molybdopterin converting factor subunit 1 [Haloferax lucentense DSM 14919]" . . . . . 50.00 87 100.00 100.00 3.32e-50 . . . . 17391 1 7 no GB ELZ86249 . "molybdopterin converting factor subunit 1 [Haloferax alexandrinus JCM 10717]" . . . . . 50.00 87 100.00 100.00 3.32e-50 . . . . 17391 1 8 no GB ELZ91068 . "molybdopterin converting factor subunit 1 [Haloferax sulfurifontis ATCC BAA-897]" . . . . . 50.00 87 98.85 100.00 1.18e-49 . . . . 17391 1 9 no REF WP_004042720 . "MULTISPECIES: molybdopterin synthase sulfur carrier subunit [Haloferax]" . . . . . 50.00 87 100.00 100.00 3.32e-50 . . . . 17391 1 10 no REF WP_004969528 . "molybdopterin synthase sulfur carrier subunit [Haloferax denitrificans]" . . . . . 50.00 87 97.70 98.85 3.85e-49 . . . . 17391 1 11 no REF WP_007275285 . "molybdopterin synthase sulfur carrier subunit [Haloferax sulfurifontis]" . . . . . 50.00 87 98.85 100.00 1.18e-49 . . . . 17391 1 12 no SP D4GUF6 . "RecName: Full=Small archaeal modifier protein 1; Short=SAMP1; AltName: Full=Ubiquitin-like small archaeal modifier protein 1" . . . . . 50.00 87 100.00 100.00 3.32e-50 . . . . 17391 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 . MET . 17391 1 2 . GLU . 17391 1 3 . TRP . 17391 1 4 . LYS . 17391 1 5 . LEU . 17391 1 6 . PHE . 17391 1 7 . ALA . 17391 1 8 . ASP . 17391 1 9 . LEU . 17391 1 10 . ALA . 17391 1 11 . GLU . 17391 1 12 . VAL . 17391 1 13 . ALA . 17391 1 14 . GLY . 17391 1 15 . SER . 17391 1 16 . ARG . 17391 1 17 . THR . 17391 1 18 . VAL . 17391 1 19 . ARG . 17391 1 20 . VAL . 17391 1 21 . ASP . 17391 1 22 . VAL . 17391 1 23 . ASP . 17391 1 24 . GLY . 17391 1 25 . ASP . 17391 1 26 . ALA . 17391 1 27 . THR . 17391 1 28 . VAL . 17391 1 29 . GLY . 17391 1 30 . ASP . 17391 1 31 . ALA . 17391 1 32 . LEU . 17391 1 33 . ASP . 17391 1 34 . ALA . 17391 1 35 . LEU . 17391 1 36 . VAL . 17391 1 37 . GLY . 17391 1 38 . ALA . 17391 1 39 . HIS . 17391 1 40 . PRO . 17391 1 41 . ALA . 17391 1 42 . LEU . 17391 1 43 . GLU . 17391 1 44 . SER . 17391 1 45 . ARG . 17391 1 46 . VAL . 17391 1 47 . PHE . 17391 1 48 . GLY . 17391 1 49 . ASP . 17391 1 50 . ASP . 17391 1 51 . GLY . 17391 1 52 . GLU . 17391 1 53 . LEU . 17391 1 54 . TYR . 17391 1 55 . ASP . 17391 1 56 . HIS . 17391 1 57 . ILE . 17391 1 58 . ASN . 17391 1 59 . VAL . 17391 1 60 . LEU . 17391 1 61 . ARG . 17391 1 62 . ASN . 17391 1 63 . GLY . 17391 1 64 . GLU . 17391 1 65 . ALA . 17391 1 66 . ALA . 17391 1 67 . ALA . 17391 1 68 . LEU . 17391 1 69 . GLY . 17391 1 70 . GLU . 17391 1 71 . ALA . 17391 1 72 . THR . 17391 1 73 . ALA . 17391 1 74 . ALA . 17391 1 75 . GLY . 17391 1 76 . ASP . 17391 1 77 . GLU . 17391 1 78 . LEU . 17391 1 79 . ALA . 17391 1 80 . LEU . 17391 1 81 . PHE . 17391 1 82 . PRO . 17391 1 83 . PRO . 17391 1 84 . VAL . 17391 1 85 . SER . 17391 1 86 . GLY . 17391 1 87 . GLY . 17391 1 88 . MET . 17391 1 89 . GLU . 17391 1 90 . TRP . 17391 1 91 . LYS . 17391 1 92 . LEU . 17391 1 93 . PHE . 17391 1 94 . ALA . 17391 1 95 . ASP . 17391 1 96 . LEU . 17391 1 97 . ALA . 17391 1 98 . GLU . 17391 1 99 . VAL . 17391 1 100 . ALA . 17391 1 101 . GLY . 17391 1 102 . SER . 17391 1 103 . ARG . 17391 1 104 . THR . 17391 1 105 . VAL . 17391 1 106 . ARG . 17391 1 107 . VAL . 17391 1 108 . ASP . 17391 1 109 . VAL . 17391 1 110 . ASP . 17391 1 111 . GLY . 17391 1 112 . ASP . 17391 1 113 . ALA . 17391 1 114 . THR . 17391 1 115 . VAL . 17391 1 116 . GLY . 17391 1 117 . ASP . 17391 1 118 . ALA . 17391 1 119 . LEU . 17391 1 120 . ASP . 17391 1 121 . ALA . 17391 1 122 . LEU . 17391 1 123 . VAL . 17391 1 124 . GLY . 17391 1 125 . ALA . 17391 1 126 . HIS . 17391 1 127 . PRO . 17391 1 128 . ALA . 17391 1 129 . LEU . 17391 1 130 . GLU . 17391 1 131 . SER . 17391 1 132 . ARG . 17391 1 133 . VAL . 17391 1 134 . PHE . 17391 1 135 . GLY . 17391 1 136 . ASP . 17391 1 137 . ASP . 17391 1 138 . GLY . 17391 1 139 . GLU . 17391 1 140 . LEU . 17391 1 141 . TYR . 17391 1 142 . ASP . 17391 1 143 . HIS . 17391 1 144 . ILE . 17391 1 145 . ASN . 17391 1 146 . VAL . 17391 1 147 . LEU . 17391 1 148 . ARG . 17391 1 149 . ASN . 17391 1 150 . GLY . 17391 1 151 . GLU . 17391 1 152 . ALA . 17391 1 153 . ALA . 17391 1 154 . ALA . 17391 1 155 . LEU . 17391 1 156 . GLY . 17391 1 157 . GLU . 17391 1 158 . ALA . 17391 1 159 . THR . 17391 1 160 . ALA . 17391 1 161 . ALA . 17391 1 162 . GLY . 17391 1 163 . ASP . 17391 1 164 . GLU . 17391 1 165 . LEU . 17391 1 166 . ALA . 17391 1 167 . LEU . 17391 1 168 . PHE . 17391 1 169 . PRO . 17391 1 170 . PRO . 17391 1 171 . VAL . 17391 1 172 . SER . 17391 1 173 . GLY . 17391 1 174 . GLY . 17391 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 17391 1 . GLU 2 2 17391 1 . TRP 3 3 17391 1 . LYS 4 4 17391 1 . LEU 5 5 17391 1 . PHE 6 6 17391 1 . ALA 7 7 17391 1 . ASP 8 8 17391 1 . LEU 9 9 17391 1 . ALA 10 10 17391 1 . GLU 11 11 17391 1 . VAL 12 12 17391 1 . ALA 13 13 17391 1 . GLY 14 14 17391 1 . SER 15 15 17391 1 . ARG 16 16 17391 1 . THR 17 17 17391 1 . VAL 18 18 17391 1 . ARG 19 19 17391 1 . VAL 20 20 17391 1 . ASP 21 21 17391 1 . VAL 22 22 17391 1 . ASP 23 23 17391 1 . GLY 24 24 17391 1 . ASP 25 25 17391 1 . ALA 26 26 17391 1 . THR 27 27 17391 1 . VAL 28 28 17391 1 . GLY 29 29 17391 1 . ASP 30 30 17391 1 . ALA 31 31 17391 1 . LEU 32 32 17391 1 . ASP 33 33 17391 1 . ALA 34 34 17391 1 . LEU 35 35 17391 1 . VAL 36 36 17391 1 . GLY 37 37 17391 1 . ALA 38 38 17391 1 . HIS 39 39 17391 1 . PRO 40 40 17391 1 . ALA 41 41 17391 1 . LEU 42 42 17391 1 . GLU 43 43 17391 1 . SER 44 44 17391 1 . ARG 45 45 17391 1 . VAL 46 46 17391 1 . PHE 47 47 17391 1 . GLY 48 48 17391 1 . ASP 49 49 17391 1 . ASP 50 50 17391 1 . GLY 51 51 17391 1 . GLU 52 52 17391 1 . LEU 53 53 17391 1 . TYR 54 54 17391 1 . ASP 55 55 17391 1 . HIS 56 56 17391 1 . ILE 57 57 17391 1 . ASN 58 58 17391 1 . VAL 59 59 17391 1 . LEU 60 60 17391 1 . ARG 61 61 17391 1 . ASN 62 62 17391 1 . GLY 63 63 17391 1 . GLU 64 64 17391 1 . ALA 65 65 17391 1 . ALA 66 66 17391 1 . ALA 67 67 17391 1 . LEU 68 68 17391 1 . GLY 69 69 17391 1 . GLU 70 70 17391 1 . ALA 71 71 17391 1 . THR 72 72 17391 1 . ALA 73 73 17391 1 . ALA 74 74 17391 1 . GLY 75 75 17391 1 . ASP 76 76 17391 1 . GLU 77 77 17391 1 . LEU 78 78 17391 1 . ALA 79 79 17391 1 . LEU 80 80 17391 1 . PHE 81 81 17391 1 . PRO 82 82 17391 1 . PRO 83 83 17391 1 . VAL 84 84 17391 1 . SER 85 85 17391 1 . GLY 86 86 17391 1 . GLY 87 87 17391 1 . MET 88 88 17391 1 . GLU 89 89 17391 1 . TRP 90 90 17391 1 . LYS 91 91 17391 1 . LEU 92 92 17391 1 . PHE 93 93 17391 1 . ALA 94 94 17391 1 . ASP 95 95 17391 1 . LEU 96 96 17391 1 . ALA 97 97 17391 1 . GLU 98 98 17391 1 . VAL 99 99 17391 1 . ALA 100 100 17391 1 . GLY 101 101 17391 1 . SER 102 102 17391 1 . ARG 103 103 17391 1 . THR 104 104 17391 1 . VAL 105 105 17391 1 . ARG 106 106 17391 1 . VAL 107 107 17391 1 . ASP 108 108 17391 1 . VAL 109 109 17391 1 . ASP 110 110 17391 1 . GLY 111 111 17391 1 . ASP 112 112 17391 1 . ALA 113 113 17391 1 . THR 114 114 17391 1 . VAL 115 115 17391 1 . GLY 116 116 17391 1 . ASP 117 117 17391 1 . ALA 118 118 17391 1 . LEU 119 119 17391 1 . ASP 120 120 17391 1 . ALA 121 121 17391 1 . LEU 122 122 17391 1 . VAL 123 123 17391 1 . GLY 124 124 17391 1 . ALA 125 125 17391 1 . HIS 126 126 17391 1 . PRO 127 127 17391 1 . ALA 128 128 17391 1 . LEU 129 129 17391 1 . GLU 130 130 17391 1 . SER 131 131 17391 1 . ARG 132 132 17391 1 . VAL 133 133 17391 1 . PHE 134 134 17391 1 . GLY 135 135 17391 1 . ASP 136 136 17391 1 . ASP 137 137 17391 1 . GLY 138 138 17391 1 . GLU 139 139 17391 1 . LEU 140 140 17391 1 . TYR 141 141 17391 1 . ASP 142 142 17391 1 . HIS 143 143 17391 1 . ILE 144 144 17391 1 . ASN 145 145 17391 1 . VAL 146 146 17391 1 . LEU 147 147 17391 1 . ARG 148 148 17391 1 . ASN 149 149 17391 1 . GLY 150 150 17391 1 . GLU 151 151 17391 1 . ALA 152 152 17391 1 . ALA 153 153 17391 1 . ALA 154 154 17391 1 . LEU 155 155 17391 1 . GLY 156 156 17391 1 . GLU 157 157 17391 1 . ALA 158 158 17391 1 . THR 159 159 17391 1 . ALA 160 160 17391 1 . ALA 161 161 17391 1 . GLY 162 162 17391 1 . ASP 163 163 17391 1 . GLU 164 164 17391 1 . LEU 165 165 17391 1 . ALA 166 166 17391 1 . LEU 167 167 17391 1 . PHE 168 168 17391 1 . PRO 169 169 17391 1 . PRO 170 170 17391 1 . VAL 171 171 17391 1 . SER 172 172 17391 1 . GLY 173 173 17391 1 . GLY 174 174 17391 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 17391 _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 $entity . 2246 organism . 'Haloferax volcanii' 'Haloferax volcanii' . . Archaea . Haloferax volcanii . . . . . . . . . . . . . . . . . . . . . 17391 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 17391 _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 $entity . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli . . . . . . . . . . . . . . . . pet22b . . . . . . 17391 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 17391 _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 'sodium chloride' 'natural abundance' . . . . . . 100 . . mM . . . . 17391 1 2 'sodium phosphate' 'natural abundance' . . . . . . 20 . . mM . . . . 17391 1 3 'protein from Haloferax volcanii' . . . 1 $entity . . 0.6 . . mM . . . . 17391 1 4 H2O 'natural abundance' . . . . . . 90 . . % . . . . 17391 1 5 D2O 'natural abundance' . . . . . . 10 . . % . . . . 17391 1 stop_ save_ save_sample_2 _Sample.Sf_category sample _Sample.Sf_framecode sample_2 _Sample.Entry_ID 17391 _Sample.ID 2 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '100% 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 'sodium chloride' 'natural abundance' . . . . . . 100 . . mM . . . . 17391 2 2 'sodium phosphate' 'natural abundance' . . . . . . 20 . . mM . . . . 17391 2 3 'protein from Haloferax volcanii' . . . 1 $entity . . 0.6 . . mM . . . . 17391 2 4 D2O 'natural abundance' . . . . . . 100 . . % . . . . 17391 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 17391 _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' 0.12 . M 17391 1 pH 6.5 . pH 17391 1 pressure 1 . atm 17391 1 temperature 293 . K 17391 1 stop_ save_ ############################ # Computer software used # ############################ save_CYANA _Software.Sf_category software _Software.Sf_framecode CYANA _Software.Entry_ID 17391 _Software.ID 1 _Software.Name CYANA _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Guntert, Mumenthaler and Wuthrich' . . 17391 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift calculation' 17391 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 17391 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model DMX _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 17391 _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 DMX . 500 . . . 17391 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 17391 _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 $NMR_spectrometer_expt . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17391 1 2 '3D CBCA(CO)NH' no 1 $NMR_spectrometer_expt . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17391 1 3 '3D C(CO)NH' no 1 $NMR_spectrometer_expt . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17391 1 4 '3D HNCO' no 1 $NMR_spectrometer_expt . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17391 1 5 '3D HNCACB' no 1 $NMR_spectrometer_expt . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17391 1 6 '3D HBHA(CO)NH' no 1 $NMR_spectrometer_expt . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17391 1 7 '3D HN(CO)CA' no 1 $NMR_spectrometer_expt . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17391 1 8 '3D H(CCO)NH' no 1 $NMR_spectrometer_expt . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17391 1 9 '3D HCCH-TOCSY' no 1 $NMR_spectrometer_expt . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17391 1 10 '3D HCCH-COSY' no 1 $NMR_spectrometer_expt . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17391 1 11 '3D 1H-13C NOESY' no 1 $NMR_spectrometer_expt . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17391 1 12 '3D 1H-15N NOESY' no 1 $NMR_spectrometer_expt . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17391 1 stop_ save_ save_NMR_spectrometer_expt _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spectrometer_expt _NMR_spec_expt.Entry_ID 17391 _NMR_spec_expt.ID 1 _NMR_spec_expt.Name . _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID 1 _NMR_spec_expt.NMR_spectrometer_label $spectrometer_1 _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID 1 _NMR_spec_expt.Software_label $CYANA _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . 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 17391 _Chem_shift_reference.ID 1 _Chem_shift_reference.Details . loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Indirect_shift_ratio_cit_ID _Chem_shift_ref.Indirect_shift_ratio_cit_label _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Correction_val_cit_ID _Chem_shift_ref.Correction_val_cit_label _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C 13 DSS 'methyl protons' . . . . ppm 0.00 . indirect 0.251449530 . . . . . . . . . 17391 1 H 1 DSS 'methyl protons' . . . . ppm 0.00 internal direct 1.000000000 . . . . . . . . . 17391 1 N 15 DSS 'methyl protons' . . . . ppm 0.00 . indirect 0.101329118 . . . . . . . . . 17391 1 P 31 DSS 'methyl protons' . . . . ppm 0.00 . indirect 0.404808636 . . . . . . . . . 17391 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 17391 _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 1 '2D 1H-15N HSQC' . . . 17391 1 2 '3D CBCA(CO)NH' . . . 17391 1 3 '3D C(CO)NH' . . . 17391 1 4 '3D HNCO' . . . 17391 1 5 '3D HNCACB' . . . 17391 1 6 '3D HBHA(CO)NH' . . . 17391 1 8 '3D H(CCO)NH' . . . 17391 1 9 '3D HCCH-TOCSY' . . . 17391 1 10 '3D HCCH-COSY' . . . 17391 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 GLU HA H 1 4.978 0.01 . . . . . . 2 GLU HA . 17391 1 2 . 1 1 2 2 GLU HB2 H 1 1.881 0.01 . . . . . . 2 GLU HB2 . 17391 1 3 . 1 1 2 2 GLU HB3 H 1 1.881 0.01 . . . . . . 2 GLU HB3 . 17391 1 4 . 1 1 2 2 GLU HG2 H 1 2.093 0.01 . . . . . . 2 GLU HG2 . 17391 1 5 . 1 1 2 2 GLU HG3 H 1 1.986 0.01 . . . . . . 2 GLU HG3 . 17391 1 6 . 1 1 2 2 GLU C C 13 179.571 0.1 . . . . . . 2 GLU CO . 17391 1 7 . 1 1 2 2 GLU CA C 13 55.677 0.1 . . . . . . 2 GLU CA . 17391 1 8 . 1 1 2 2 GLU CB C 13 32.884 0.1 . . . . . . 2 GLU CB . 17391 1 9 . 1 1 3 3 TRP H H 1 9.112 0.01 . . . . . . 3 TRP NH . 17391 1 10 . 1 1 3 3 TRP HA H 1 5.034 0.01 . . . . . . 3 TRP HA . 17391 1 11 . 1 1 3 3 TRP HB2 H 1 2.969 0.01 . . . . . . 3 TRP HB2 . 17391 1 12 . 1 1 3 3 TRP HB3 H 1 2.760 0.01 . . . . . . 3 TRP HB3 . 17391 1 13 . 1 1 3 3 TRP C C 13 177.514 0.1 . . . . . . 3 TRP CO . 17391 1 14 . 1 1 3 3 TRP CA C 13 55.818 0.1 . . . . . . 3 TRP CA . 17391 1 15 . 1 1 3 3 TRP N N 15 122.044 0.01 . . . . . . 3 TRP N . 17391 1 16 . 1 1 4 4 LYS H H 1 9.405 0.01 . . . . . . 4 LYS NH . 17391 1 17 . 1 1 4 4 LYS HA H 1 5.074 0.01 . . . . . . 4 LYS HA . 17391 1 18 . 1 1 4 4 LYS HB2 H 1 1.775 0.01 . . . . . . 4 LYS HB2 . 17391 1 19 . 1 1 4 4 LYS HB3 H 1 1.775 0.01 . . . . . . 4 LYS HB3 . 17391 1 20 . 1 1 4 4 LYS HG2 H 1 1.642 0.01 . . . . . . 4 LYS HG2 . 17391 1 21 . 1 1 4 4 LYS HG3 H 1 1.485 0.01 . . . . . . 4 LYS HG3 . 17391 1 22 . 1 1 4 4 LYS HD2 H 1 2.117 0.01 . . . . . . 4 LYS HD2 . 17391 1 23 . 1 1 4 4 LYS HD3 H 1 2.117 0.01 . . . . . . 4 LYS HD3 . 17391 1 24 . 1 1 4 4 LYS C C 13 178.454 0.1 . . . . . . 4 LYS CO . 17391 1 25 . 1 1 4 4 LYS CB C 13 33.291 0.1 . . . . . . 4 LYS CB . 17391 1 26 . 1 1 4 4 LYS N N 15 122.125 0.01 . . . . . . 4 LYS N . 17391 1 27 . 1 1 5 5 LEU H H 1 8.537 0.01 . . . . . . 5 LEU NH . 17391 1 28 . 1 1 5 5 LEU HA H 1 4.852 0.01 . . . . . . 5 LEU HA . 17391 1 29 . 1 1 5 5 LEU HD11 H 1 0.650 0.01 . . . . . . 5 LEU HD1 . 17391 1 30 . 1 1 5 5 LEU HD12 H 1 0.650 0.01 . . . . . . 5 LEU HD1 . 17391 1 31 . 1 1 5 5 LEU HD13 H 1 0.650 0.01 . . . . . . 5 LEU HD1 . 17391 1 32 . 1 1 5 5 LEU HD21 H 1 0.566 0.01 . . . . . . 5 LEU HD2 . 17391 1 33 . 1 1 5 5 LEU HD22 H 1 0.566 0.01 . . . . . . 5 LEU HD2 . 17391 1 34 . 1 1 5 5 LEU HD23 H 1 0.566 0.01 . . . . . . 5 LEU HD2 . 17391 1 35 . 1 1 5 5 LEU C C 13 177.715 0.1 . . . . . . 5 LEU CO . 17391 1 36 . 1 1 5 5 LEU CA C 13 53.286 0.1 . . . . . . 5 LEU CA . 17391 1 37 . 1 1 5 5 LEU CB C 13 44.546 0.1 . . . . . . 5 LEU CB . 17391 1 38 . 1 1 5 5 LEU N N 15 122.394 0.01 . . . . . . 5 LEU N . 17391 1 39 . 1 1 6 6 PHE H H 1 7.461 0.01 . . . . . . 6 PHE NH . 17391 1 40 . 1 1 6 6 PHE HA H 1 4.602 0.01 . . . . . . 6 PHE HA . 17391 1 41 . 1 1 6 6 PHE HB2 H 1 3.067 0.01 . . . . . . 6 PHE HB2 . 17391 1 42 . 1 1 6 6 PHE HB3 H 1 2.921 0.01 . . . . . . 6 PHE HB3 . 17391 1 43 . 1 1 6 6 PHE C C 13 178.446 0.1 . . . . . . 6 PHE CO . 17391 1 44 . 1 1 6 6 PHE CA C 13 56.731 0.1 . . . . . . 6 PHE CA . 17391 1 45 . 1 1 6 6 PHE CB C 13 41.764 0.1 . . . . . . 6 PHE CB . 17391 1 46 . 1 1 6 6 PHE N N 15 117.681 0.01 . . . . . . 6 PHE N . 17391 1 47 . 1 1 7 7 ALA H H 1 9.039 0.01 . . . . . . 7 ALA NH . 17391 1 48 . 1 1 7 7 ALA HA H 1 3.961 0.01 . . . . . . 7 ALA HA . 17391 1 49 . 1 1 7 7 ALA HB1 H 1 1.522 0.01 . . . . . . 7 ALA HB . 17391 1 50 . 1 1 7 7 ALA HB2 H 1 1.522 0.01 . . . . . . 7 ALA HB . 17391 1 51 . 1 1 7 7 ALA HB3 H 1 1.522 0.01 . . . . . . 7 ALA HB . 17391 1 52 . 1 1 7 7 ALA CA C 13 54.108 0.1 . . . . . . 7 ALA CA . 17391 1 53 . 1 1 7 7 ALA CB C 13 18.264 0.1 . . . . . . 7 ALA CB . 17391 1 54 . 1 1 7 7 ALA N N 15 123.702 0.01 . . . . . . 7 ALA N . 17391 1 55 . 1 1 8 8 ASP H H 1 8.581 0.01 . . . . . . 8 ASP NH . 17391 1 56 . 1 1 8 8 ASP HA H 1 4.255 0.01 . . . . . . 8 ASP HA . 17391 1 57 . 1 1 8 8 ASP HB2 H 1 2.573 0.01 . . . . . . 8 ASP HB2 . 17391 1 58 . 1 1 8 8 ASP HB3 H 1 2.573 0.01 . . . . . . 8 ASP HB3 . 17391 1 59 . 1 1 8 8 ASP CA C 13 56.665 0.1 . . . . . . 8 ASP CA . 17391 1 60 . 1 1 8 8 ASP CB C 13 39.944 0.1 . . . . . . 8 ASP CB . 17391 1 61 . 1 1 8 8 ASP N N 15 118.961 0.01 . . . . . . 8 ASP N . 17391 1 62 . 1 1 9 9 LEU H H 1 7.393 0.01 . . . . . . 9 LEU NH . 17391 1 63 . 1 1 9 9 LEU HA H 1 3.855 0.01 . . . . . . 9 LEU HA . 17391 1 64 . 1 1 9 9 LEU HB2 H 1 1.909 0.01 . . . . . . 9 LEU HB2 . 17391 1 65 . 1 1 9 9 LEU HB3 H 1 1.909 0.01 . . . . . . 9 LEU HB3 . 17391 1 66 . 1 1 9 9 LEU HD11 H 1 0.639 0.01 . . . . . . 9 LEU HD1 . 17391 1 67 . 1 1 9 9 LEU HD12 H 1 0.639 0.01 . . . . . . 9 LEU HD1 . 17391 1 68 . 1 1 9 9 LEU HD13 H 1 0.639 0.01 . . . . . . 9 LEU HD1 . 17391 1 69 . 1 1 9 9 LEU HD21 H 1 0.639 0.01 . . . . . . 9 LEU HD2 . 17391 1 70 . 1 1 9 9 LEU HD22 H 1 0.639 0.01 . . . . . . 9 LEU HD2 . 17391 1 71 . 1 1 9 9 LEU HD23 H 1 0.639 0.01 . . . . . . 9 LEU HD2 . 17391 1 72 . 1 1 9 9 LEU C C 13 175.524 0.1 . . . . . . 9 LEU CO . 17391 1 73 . 1 1 9 9 LEU CA C 13 57.121 0.1 . . . . . . 9 LEU CA . 17391 1 74 . 1 1 9 9 LEU CB C 13 40.471 0.1 . . . . . . 9 LEU CB . 17391 1 75 . 1 1 9 9 LEU N N 15 116.111 0.01 . . . . . . 9 LEU N . 17391 1 76 . 1 1 10 10 ALA H H 1 7.045 0.01 . . . . . . 10 ALA NH . 17391 1 77 . 1 1 10 10 ALA HA H 1 3.933 0.01 . . . . . . 10 ALA HA . 17391 1 78 . 1 1 10 10 ALA HB1 H 1 1.053 0.01 . . . . . . 10 ALA HB . 17391 1 79 . 1 1 10 10 ALA HB2 H 1 1.053 0.01 . . . . . . 10 ALA HB . 17391 1 80 . 1 1 10 10 ALA HB3 H 1 1.053 0.01 . . . . . . 10 ALA HB . 17391 1 81 . 1 1 10 10 ALA C C 13 173.063 0.1 . . . . . . 10 ALA CO . 17391 1 82 . 1 1 10 10 ALA CA C 13 53.991 0.1 . . . . . . 10 ALA CA . 17391 1 83 . 1 1 10 10 ALA CB C 13 17.958 0.1 . . . . . . 10 ALA CB . 17391 1 84 . 1 1 10 10 ALA N N 15 120.736 0.01 . . . . . . 10 ALA N . 17391 1 85 . 1 1 11 11 GLU H H 1 7.358 0.01 . . . . . . 11 GLU NH . 17391 1 86 . 1 1 11 11 GLU HA H 1 3.837 0.01 . . . . . . 11 GLU HA . 17391 1 87 . 1 1 11 11 GLU HB2 H 1 2.013 0.01 . . . . . . 11 GLU HB2 . 17391 1 88 . 1 1 11 11 GLU HB3 H 1 2.013 0.01 . . . . . . 11 GLU HB3 . 17391 1 89 . 1 1 11 11 GLU HG2 H 1 2.183 0.01 . . . . . . 11 GLU HG2 . 17391 1 90 . 1 1 11 11 GLU HG3 H 1 2.183 0.01 . . . . . . 11 GLU HG3 . 17391 1 91 . 1 1 11 11 GLU C C 13 174.786 0.1 . . . . . . 11 GLU CO . 17391 1 92 . 1 1 11 11 GLU CA C 13 58.987 0.1 . . . . . . 11 GLU CA . 17391 1 93 . 1 1 11 11 GLU CB C 13 30.123 0.1 . . . . . . 11 GLU CB . 17391 1 94 . 1 1 11 11 GLU N N 15 117.677 0.01 . . . . . . 11 GLU N . 17391 1 95 . 1 1 12 12 VAL H H 1 7.509 0.01 . . . . . . 12 VAL NH . 17391 1 96 . 1 1 12 12 VAL HA H 1 3.626 0.01 . . . . . . 12 VAL HA . 17391 1 97 . 1 1 12 12 VAL HB H 1 1.954 0.01 . . . . . . 12 VAL HB . 17391 1 98 . 1 1 12 12 VAL HG11 H 1 0.934 0.01 . . . . . . 12 VAL HG1 . 17391 1 99 . 1 1 12 12 VAL HG12 H 1 0.934 0.01 . . . . . . 12 VAL HG1 . 17391 1 100 . 1 1 12 12 VAL HG13 H 1 0.934 0.01 . . . . . . 12 VAL HG1 . 17391 1 101 . 1 1 12 12 VAL HG21 H 1 0.698 0.01 . . . . . . 12 VAL HG2 . 17391 1 102 . 1 1 12 12 VAL HG22 H 1 0.698 0.01 . . . . . . 12 VAL HG2 . 17391 1 103 . 1 1 12 12 VAL HG23 H 1 0.698 0.01 . . . . . . 12 VAL HG2 . 17391 1 104 . 1 1 12 12 VAL C C 13 175.720 0.1 . . . . . . 12 VAL CO . 17391 1 105 . 1 1 12 12 VAL CA C 13 65.003 0.1 . . . . . . 12 VAL CA . 17391 1 106 . 1 1 12 12 VAL CB C 13 31.671 0.1 . . . . . . 12 VAL CB . 17391 1 107 . 1 1 12 12 VAL N N 15 118.083 0.01 . . . . . . 12 VAL N . 17391 1 108 . 1 1 13 13 ALA H H 1 7.712 0.01 . . . . . . 13 ALA NH . 17391 1 109 . 1 1 13 13 ALA HA H 1 3.817 0.01 . . . . . . 13 ALA HA . 17391 1 110 . 1 1 13 13 ALA HB1 H 1 0.912 0.01 . . . . . . 13 ALA HB . 17391 1 111 . 1 1 13 13 ALA HB2 H 1 0.912 0.01 . . . . . . 13 ALA HB . 17391 1 112 . 1 1 13 13 ALA HB3 H 1 0.912 0.01 . . . . . . 13 ALA HB . 17391 1 113 . 1 1 13 13 ALA C C 13 176.498 0.01 . . . . . . 13 ALA CO . 17391 1 114 . 1 1 13 13 ALA CA C 13 53.347 0.1 . . . . . . 13 ALA CA . 17391 1 115 . 1 1 13 13 ALA CB C 13 19.056 0.1 . . . . . . 13 ALA CB . 17391 1 116 . 1 1 13 13 ALA N N 15 119.296 0.01 . . . . . . 13 ALA N . 17391 1 117 . 1 1 14 14 GLY H H 1 7.652 0.01 . . . . . . 14 GLY NH . 17391 1 118 . 1 1 14 14 GLY HA2 H 1 4.076 0.01 . . . . . . 14 GLY HA2 . 17391 1 119 . 1 1 14 14 GLY HA3 H 1 3.594 0.01 . . . . . . 14 GLY HA3 . 17391 1 120 . 1 1 14 14 GLY C C 13 175.013 0.1 . . . . . . 14 GLY CO . 17391 1 121 . 1 1 14 14 GLY CA C 13 45.010 0.1 . . . . . . 14 GLY CA . 17391 1 122 . 1 1 14 14 GLY N N 15 104.877 0.01 . . . . . . 14 GLY N . 17391 1 123 . 1 1 15 15 SER H H 1 7.298 0.01 . . . . . . 15 SER NH . 17391 1 124 . 1 1 15 15 SER HA H 1 4.375 0.01 . . . . . . 15 SER HA . 17391 1 125 . 1 1 15 15 SER CA C 13 56.969 0.1 . . . . . . 15 SER CA . 17391 1 126 . 1 1 15 15 SER CB C 13 64.840 0.1 . . . . . . 15 SER CB . 17391 1 127 . 1 1 15 15 SER N N 15 112.104 0.01 . . . . . . 15 SER N . 17391 1 128 . 1 1 16 16 ARG H H 1 8.287 0.01 . . . . . . 16 ARG NH . 17391 1 129 . 1 1 16 16 ARG HA H 1 4.155 0.01 . . . . . . 16 ARG HA . 17391 1 130 . 1 1 16 16 ARG HB2 H 1 1.874 0.01 . . . . . . 16 ARG HB2 . 17391 1 131 . 1 1 16 16 ARG HB3 H 1 1.712 0.01 . . . . . . 16 ARG HB3 . 17391 1 132 . 1 1 16 16 ARG HG2 H 1 1.498 0.01 . . . . . . 16 ARG HG2 . 17391 1 133 . 1 1 16 16 ARG HG3 H 1 1.498 0.01 . . . . . . 16 ARG HG3 . 17391 1 134 . 1 1 16 16 ARG HD2 H 1 3.110 0.01 . . . . . . 16 ARG HD2 . 17391 1 135 . 1 1 16 16 ARG HD3 H 1 3.110 0.01 . . . . . . 16 ARG HD3 . 17391 1 136 . 1 1 16 16 ARG C C 13 177.604 0.1 . . . . . . 16 ARG CO . 17391 1 137 . 1 1 16 16 ARG CA C 13 57.324 0.1 . . . . . . 16 ARG CA . 17391 1 138 . 1 1 16 16 ARG CB C 13 30.700 0.1 . . . . . . 16 ARG CB . 17391 1 139 . 1 1 16 16 ARG N N 15 119.663 0.01 . . . . . . 16 ARG N . 17391 1 140 . 1 1 17 17 THR H H 1 7.667 0.01 . . . . . . 17 THR NH . 17391 1 141 . 1 1 17 17 THR HA H 1 5.417 0.01 . . . . . . 17 THR HA . 17391 1 142 . 1 1 17 17 THR HB H 1 3.888 0.01 . . . . . . 17 THR HB . 17391 1 143 . 1 1 17 17 THR HG21 H 1 1.029 0.01 . . . . . . 17 THR HG2 . 17391 1 144 . 1 1 17 17 THR HG22 H 1 1.029 0.01 . . . . . . 17 THR HG2 . 17391 1 145 . 1 1 17 17 THR HG23 H 1 1.029 0.01 . . . . . . 17 THR HG2 . 17391 1 146 . 1 1 17 17 THR C C 13 179.287 0.1 . . . . . . 17 THR CO . 17391 1 147 . 1 1 17 17 THR CA C 13 60.053 0.1 . . . . . . 17 THR CA . 17391 1 148 . 1 1 17 17 THR CB C 13 70.893 0.1 . . . . . . 17 THR CB . 17391 1 149 . 1 1 17 17 THR N N 15 111.739 0.01 . . . . . . 17 THR N . 17391 1 150 . 1 1 18 18 VAL H H 1 9.159 0.01 . . . . . . 18 VAL NH . 17391 1 151 . 1 1 18 18 VAL HA H 1 4.300 0.01 . . . . . . 18 VAL HA . 17391 1 152 . 1 1 18 18 VAL HB H 1 1.758 0.01 . . . . . . 18 VAL HB . 17391 1 153 . 1 1 18 18 VAL HG11 H 1 0.833 0.01 . . . . . . 18 VAL HG1 . 17391 1 154 . 1 1 18 18 VAL HG12 H 1 0.833 0.01 . . . . . . 18 VAL HG1 . 17391 1 155 . 1 1 18 18 VAL HG13 H 1 0.833 0.01 . . . . . . 18 VAL HG1 . 17391 1 156 . 1 1 18 18 VAL HG21 H 1 0.522 0.01 . . . . . . 18 VAL HG2 . 17391 1 157 . 1 1 18 18 VAL HG22 H 1 0.522 0.01 . . . . . . 18 VAL HG2 . 17391 1 158 . 1 1 18 18 VAL HG23 H 1 0.522 0.01 . . . . . . 18 VAL HG2 . 17391 1 159 . 1 1 18 18 VAL CA C 13 61.039 0.1 . . . . . . 18 VAL CA . 17391 1 160 . 1 1 18 18 VAL CB C 13 36.102 0.1 . . . . . . 18 VAL CB . 17391 1 161 . 1 1 18 18 VAL N N 15 125.089 0.01 . . . . . . 18 VAL N . 17391 1 162 . 1 1 19 19 ARG H H 1 8.883 0.01 . . . . . . 19 ARG NH . 17391 1 163 . 1 1 19 19 ARG HA H 1 5.081 0.01 . . . . . . 19 ARG HA . 17391 1 164 . 1 1 19 19 ARG HB2 H 1 1.764 0.01 . . . . . . 19 ARG HB2 . 17391 1 165 . 1 1 19 19 ARG HB3 H 1 1.764 0.01 . . . . . . 19 ARG HB3 . 17391 1 166 . 1 1 19 19 ARG HD2 H 1 3.142 0.01 . . . . . . 19 ARG HD2 . 17391 1 167 . 1 1 19 19 ARG HD3 H 1 3.142 0.01 . . . . . . 19 ARG HD3 . 17391 1 168 . 1 1 19 19 ARG C C 13 177.302 0.1 . . . . . . 19 ARG CO . 17391 1 169 . 1 1 19 19 ARG CA C 13 55.590 0.1 . . . . . . 19 ARG CA . 17391 1 170 . 1 1 19 19 ARG CB C 13 31.164 0.1 . . . . . . 19 ARG CB . 17391 1 171 . 1 1 19 19 ARG N N 15 128.039 0.01 . . . . . . 19 ARG N . 17391 1 172 . 1 1 20 20 VAL H H 1 8.660 0.01 . . . . . . 20 VAL NH . 17391 1 173 . 1 1 20 20 VAL HA H 1 4.661 0.01 . . . . . . 20 VAL HA . 17391 1 174 . 1 1 20 20 VAL HB H 1 2.064 0.01 . . . . . . 20 VAL HB . 17391 1 175 . 1 1 20 20 VAL HG11 H 1 0.937 0.01 . . . . . . 20 VAL HG1 . 17391 1 176 . 1 1 20 20 VAL HG12 H 1 0.937 0.01 . . . . . . 20 VAL HG1 . 17391 1 177 . 1 1 20 20 VAL HG13 H 1 0.937 0.01 . . . . . . 20 VAL HG1 . 17391 1 178 . 1 1 20 20 VAL HG21 H 1 0.937 0.01 . . . . . . 20 VAL HG2 . 17391 1 179 . 1 1 20 20 VAL HG22 H 1 0.937 0.01 . . . . . . 20 VAL HG2 . 17391 1 180 . 1 1 20 20 VAL HG23 H 1 0.937 0.01 . . . . . . 20 VAL HG2 . 17391 1 181 . 1 1 20 20 VAL CA C 13 59.023 0.1 . . . . . . 20 VAL CA . 17391 1 182 . 1 1 20 20 VAL CB C 13 35.129 0.1 . . . . . . 20 VAL CB . 17391 1 183 . 1 1 20 20 VAL N N 15 117.596 0.01 . . . . . . 20 VAL N . 17391 1 184 . 1 1 21 21 ASP H H 1 8.783 0.01 . . . . . . 21 ASP NH . 17391 1 185 . 1 1 21 21 ASP HA H 1 4.903 0.01 . . . . . . 21 ASP HA . 17391 1 186 . 1 1 21 21 ASP HB2 H 1 2.584 0.01 . . . . . . 21 ASP HB2 . 17391 1 187 . 1 1 21 21 ASP HB3 H 1 2.449 0.01 . . . . . . 21 ASP HB3 . 17391 1 188 . 1 1 21 21 ASP C C 13 178.620 0.1 . . . . . . 21 ASP CO . 17391 1 189 . 1 1 21 21 ASP CA C 13 53.969 0.1 . . . . . . 21 ASP CA . 17391 1 190 . 1 1 21 21 ASP CB C 13 41.760 0.1 . . . . . . 21 ASP CB . 17391 1 191 . 1 1 21 21 ASP N N 15 124.660 0.01 . . . . . . 21 ASP N . 17391 1 192 . 1 1 22 22 VAL H H 1 8.032 0.01 . . . . . . 22 VAL NH . 17391 1 193 . 1 1 22 22 VAL HA H 1 4.400 0.01 . . . . . . 22 VAL HA . 17391 1 194 . 1 1 22 22 VAL HB H 1 2.059 0.01 . . . . . . 22 VAL HB . 17391 1 195 . 1 1 22 22 VAL HG11 H 1 0.731 0.01 . . . . . . 22 VAL HG1 . 17391 1 196 . 1 1 22 22 VAL HG12 H 1 0.731 0.01 . . . . . . 22 VAL HG1 . 17391 1 197 . 1 1 22 22 VAL HG13 H 1 0.731 0.01 . . . . . . 22 VAL HG1 . 17391 1 198 . 1 1 22 22 VAL HG21 H 1 0.731 0.01 . . . . . . 22 VAL HG2 . 17391 1 199 . 1 1 22 22 VAL HG22 H 1 0.731 0.01 . . . . . . 22 VAL HG2 . 17391 1 200 . 1 1 22 22 VAL HG23 H 1 0.731 0.01 . . . . . . 22 VAL HG2 . 17391 1 201 . 1 1 22 22 VAL C C 13 178.672 0.1 . . . . . . 22 VAL CO . 17391 1 202 . 1 1 22 22 VAL CA C 13 59.728 0.1 . . . . . . 22 VAL CA . 17391 1 203 . 1 1 22 22 VAL CB C 13 34.803 0.1 . . . . . . 22 VAL CB . 17391 1 204 . 1 1 22 22 VAL N N 15 117.668 0.01 . . . . . . 22 VAL N . 17391 1 205 . 1 1 23 23 ASP H H 1 8.616 0.01 . . . . . . 23 ASP NH . 17391 1 206 . 1 1 23 23 ASP HA H 1 4.582 0.01 . . . . . . 23 ASP HA . 17391 1 207 . 1 1 23 23 ASP HB2 H 1 2.629 0.01 . . . . . . 23 ASP HB2 . 17391 1 208 . 1 1 23 23 ASP HB3 H 1 2.629 0.01 . . . . . . 23 ASP HB3 . 17391 1 209 . 1 1 23 23 ASP C C 13 176.951 0.1 . . . . . . 23 ASP CO . 17391 1 210 . 1 1 23 23 ASP CA C 13 53.981 0.1 . . . . . . 23 ASP CA . 17391 1 211 . 1 1 23 23 ASP CB C 13 42.176 0.1 . . . . . . 23 ASP CB . 17391 1 212 . 1 1 23 23 ASP N N 15 123.681 0.01 . . . . . . 23 ASP N . 17391 1 213 . 1 1 24 24 GLY H H 1 8.461 0.01 . . . . . . 24 GLY NH . 17391 1 214 . 1 1 24 24 GLY HA2 H 1 3.808 0.01 . . . . . . 24 GLY HA2 . 17391 1 215 . 1 1 24 24 GLY HA3 H 1 3.808 0.01 . . . . . . 24 GLY HA3 . 17391 1 216 . 1 1 24 24 GLY CA C 13 45.644 0.1 . . . . . . 24 GLY CA . 17391 1 217 . 1 1 24 24 GLY N N 15 107.953 0.01 . . . . . . 24 GLY N . 17391 1 218 . 1 1 25 25 ASP H H 1 8.198 0.01 . . . . . . 25 ASP NH . 17391 1 219 . 1 1 25 25 ASP HA H 1 4.670 0.01 . . . . . . 25 ASP HA . 17391 1 220 . 1 1 25 25 ASP HB2 H 1 2.654 0.01 . . . . . . 25 ASP HB2 . 17391 1 221 . 1 1 25 25 ASP HB3 H 1 2.654 0.01 . . . . . . 25 ASP HB3 . 17391 1 222 . 1 1 25 25 ASP C C 13 178.064 0.1 . . . . . . 25 ASP CO . 17391 1 223 . 1 1 25 25 ASP CA C 13 53.591 0.1 . . . . . . 25 ASP CA . 17391 1 224 . 1 1 25 25 ASP CB C 13 39.968 0.1 . . . . . . 25 ASP CB . 17391 1 225 . 1 1 25 25 ASP N N 15 107.896 0.01 . . . . . . 25 ASP N . 17391 1 226 . 1 1 26 26 ALA H H 1 7.663 0.01 . . . . . . 26 ALA NH . 17391 1 227 . 1 1 26 26 ALA HA H 1 4.505 0.01 . . . . . . 26 ALA HA . 17391 1 228 . 1 1 26 26 ALA HB1 H 1 1.364 0.01 . . . . . . 26 ALA HB . 17391 1 229 . 1 1 26 26 ALA HB2 H 1 1.364 0.01 . . . . . . 26 ALA HB . 17391 1 230 . 1 1 26 26 ALA HB3 H 1 1.364 0.01 . . . . . . 26 ALA HB . 17391 1 231 . 1 1 26 26 ALA CA C 13 51.947 0.1 . . . . . . 26 ALA CA . 17391 1 232 . 1 1 26 26 ALA CB C 13 20.123 0.1 . . . . . . 26 ALA CB . 17391 1 233 . 1 1 26 26 ALA N N 15 123.228 0.01 . . . . . . 26 ALA N . 17391 1 234 . 1 1 27 27 THR H H 1 8.495 0.01 . . . . . . 27 THR NH . 17391 1 235 . 1 1 27 27 THR HA H 1 5.094 0.01 . . . . . . 27 THR HA . 17391 1 236 . 1 1 27 27 THR HB H 1 4.765 0.01 . . . . . . 27 THR HB . 17391 1 237 . 1 1 27 27 THR HG1 H 1 7.021 0.01 . . . . . . 27 THR HG1 . 17391 1 238 . 1 1 27 27 THR HG21 H 1 1.141 0.01 . . . . . . 27 THR HG2 . 17391 1 239 . 1 1 27 27 THR HG22 H 1 1.141 0.01 . . . . . . 27 THR HG2 . 17391 1 240 . 1 1 27 27 THR HG23 H 1 1.141 0.01 . . . . . . 27 THR HG2 . 17391 1 241 . 1 1 27 27 THR C C 13 177.087 0.1 . . . . . . 27 THR CO . 17391 1 242 . 1 1 27 27 THR CA C 13 60.190 0.1 . . . . . . 27 THR CA . 17391 1 243 . 1 1 27 27 THR CB C 13 72.074 0.1 . . . . . . 27 THR CB . 17391 1 244 . 1 1 27 27 THR N N 15 113.007 0.01 . . . . . . 27 THR N . 17391 1 245 . 1 1 28 28 VAL H H 1 8.829 0.01 . . . . . . 28 VAL NH . 17391 1 246 . 1 1 28 28 VAL HA H 1 3.304 0.01 . . . . . . 28 VAL HA . 17391 1 247 . 1 1 28 28 VAL HB H 1 2.382 0.01 . . . . . . 28 VAL HB . 17391 1 248 . 1 1 28 28 VAL HG11 H 1 0.827 0.01 . . . . . . 28 VAL HG1 . 17391 1 249 . 1 1 28 28 VAL HG12 H 1 0.827 0.01 . . . . . . 28 VAL HG1 . 17391 1 250 . 1 1 28 28 VAL HG13 H 1 0.827 0.01 . . . . . . 28 VAL HG1 . 17391 1 251 . 1 1 28 28 VAL HG21 H 1 0.827 0.01 . . . . . . 28 VAL HG2 . 17391 1 252 . 1 1 28 28 VAL HG22 H 1 0.827 0.01 . . . . . . 28 VAL HG2 . 17391 1 253 . 1 1 28 28 VAL HG23 H 1 0.827 0.01 . . . . . . 28 VAL HG2 . 17391 1 254 . 1 1 28 28 VAL C C 13 175.069 0.1 . . . . . . 28 VAL CO . 17391 1 255 . 1 1 28 28 VAL CA C 13 67.338 0.1 . . . . . . 28 VAL CA . 17391 1 256 . 1 1 28 28 VAL CB C 13 31.495 0.1 . . . . . . 28 VAL CB . 17391 1 257 . 1 1 28 28 VAL N N 15 122.401 0.01 . . . . . . 28 VAL N . 17391 1 258 . 1 1 29 29 GLY H H 1 9.865 0.01 . . . . . . 29 GLY NH . 17391 1 259 . 1 1 29 29 GLY HA2 H 1 4.052 0.01 . . . . . . 29 GLY HA2 . 17391 1 260 . 1 1 29 29 GLY HA3 H 1 3.825 0.01 . . . . . . 29 GLY HA3 . 17391 1 261 . 1 1 29 29 GLY C C 13 177.235 0.1 . . . . . . 29 GLY CO . 17391 1 262 . 1 1 29 29 GLY CA C 13 47.775 0.1 . . . . . . 29 GLY CA . 17391 1 263 . 1 1 29 29 GLY N N 15 108.431 0.01 . . . . . . 29 GLY N . 17391 1 264 . 1 1 30 30 ASP H H 1 8.175 0.01 . . . . . . 30 ASP NH . 17391 1 265 . 1 1 30 30 ASP HB2 H 1 3.117 0.01 . . . . . . 30 ASP HB2 . 17391 1 266 . 1 1 30 30 ASP HB3 H 1 2.712 0.01 . . . . . . 30 ASP HB3 . 17391 1 267 . 1 1 30 30 ASP CA C 13 57.659 0.1 . . . . . . 30 ASP CA . 17391 1 268 . 1 1 30 30 ASP CB C 13 40.796 0.1 . . . . . . 30 ASP CB . 17391 1 269 . 1 1 30 30 ASP N N 15 123.479 0.01 . . . . . . 30 ASP N . 17391 1 270 . 1 1 31 31 ALA H H 1 8.589 0.01 . . . . . . 31 ALA NH . 17391 1 271 . 1 1 31 31 ALA HA H 1 4.149 0.01 . . . . . . 31 ALA HA . 17391 1 272 . 1 1 31 31 ALA HB1 H 1 1.580 0.01 . . . . . . 31 ALA HB . 17391 1 273 . 1 1 31 31 ALA HB2 H 1 1.580 0.01 . . . . . . 31 ALA HB . 17391 1 274 . 1 1 31 31 ALA HB3 H 1 1.580 0.01 . . . . . . 31 ALA HB . 17391 1 275 . 1 1 31 31 ALA C C 13 173.337 0.1 . . . . . . 31 ALA CO . 17391 1 276 . 1 1 31 31 ALA CA C 13 55.238 0.1 . . . . . . 31 ALA CA . 17391 1 277 . 1 1 31 31 ALA CB C 13 17.713 0.1 . . . . . . 31 ALA CB . 17391 1 278 . 1 1 31 31 ALA N N 15 124.255 0.01 . . . . . . 31 ALA N . 17391 1 279 . 1 1 32 32 LEU H H 1 9.174 0.01 . . . . . . 32 LEU NH . 17391 1 280 . 1 1 32 32 LEU HA H 1 4.012 0.01 . . . . . . 32 LEU HA . 17391 1 281 . 1 1 32 32 LEU HB2 H 1 2.340 0.01 . . . . . . 32 LEU HB2 . 17391 1 282 . 1 1 32 32 LEU HB3 H 1 1.598 0.01 . . . . . . 32 LEU HB3 . 17391 1 283 . 1 1 32 32 LEU HD11 H 1 0.784 0.01 . . . . . . 32 LEU HD1 . 17391 1 284 . 1 1 32 32 LEU HD12 H 1 0.784 0.01 . . . . . . 32 LEU HD1 . 17391 1 285 . 1 1 32 32 LEU HD13 H 1 0.784 0.01 . . . . . . 32 LEU HD1 . 17391 1 286 . 1 1 32 32 LEU HD21 H 1 0.411 0.01 . . . . . . 32 LEU HD2 . 17391 1 287 . 1 1 32 32 LEU HD22 H 1 0.411 0.01 . . . . . . 32 LEU HD2 . 17391 1 288 . 1 1 32 32 LEU HD23 H 1 0.411 0.01 . . . . . . 32 LEU HD2 . 17391 1 289 . 1 1 32 32 LEU C C 13 175.708 0.1 . . . . . . 32 LEU CO . 17391 1 290 . 1 1 32 32 LEU CA C 13 57.590 0.1 . . . . . . 32 LEU CA . 17391 1 291 . 1 1 32 32 LEU CB C 13 41.605 0.1 . . . . . . 32 LEU CB . 17391 1 292 . 1 1 32 32 LEU N N 15 126.317 0.01 . . . . . . 32 LEU N . 17391 1 293 . 1 1 33 33 ASP H H 1 8.583 0.01 . . . . . . 33 ASP NH . 17391 1 294 . 1 1 33 33 ASP HA H 1 4.414 0.01 . . . . . . 33 ASP HA . 17391 1 295 . 1 1 33 33 ASP HB2 H 1 2.865 0.01 . . . . . . 33 ASP HB2 . 17391 1 296 . 1 1 33 33 ASP HB3 H 1 2.613 0.01 . . . . . . 33 ASP HB3 . 17391 1 297 . 1 1 33 33 ASP C C 13 173.585 0.1 . . . . . . 33 ASP CO . 17391 1 298 . 1 1 33 33 ASP CA C 13 57.553 0.1 . . . . . . 33 ASP CA . 17391 1 299 . 1 1 33 33 ASP CB C 13 39.912 0.1 . . . . . . 33 ASP CB . 17391 1 300 . 1 1 33 33 ASP N N 15 121.465 0.01 . . . . . . 33 ASP N . 17391 1 301 . 1 1 34 34 ALA H H 1 7.903 0.01 . . . . . . 34 ALA NH . 17391 1 302 . 1 1 34 34 ALA HA H 1 4.179 0.01 . . . . . . 34 ALA HA . 17391 1 303 . 1 1 34 34 ALA HB1 H 1 1.489 0.01 . . . . . . 34 ALA HB . 17391 1 304 . 1 1 34 34 ALA HB2 H 1 1.489 0.01 . . . . . . 34 ALA HB . 17391 1 305 . 1 1 34 34 ALA HB3 H 1 1.489 0.01 . . . . . . 34 ALA HB . 17391 1 306 . 1 1 34 34 ALA C C 13 173.362 0.1 . . . . . . 34 ALA CO . 17391 1 307 . 1 1 34 34 ALA CA C 13 54.681 0.1 . . . . . . 34 ALA CA . 17391 1 308 . 1 1 34 34 ALA CB C 13 17.983 0.1 . . . . . . 34 ALA CB . 17391 1 309 . 1 1 34 34 ALA N N 15 121.850 0.01 . . . . . . 34 ALA N . 17391 1 310 . 1 1 35 35 LEU H H 1 7.645 0.01 . . . . . . 35 LEU NH . 17391 1 311 . 1 1 35 35 LEU HA H 1 3.873 0.01 . . . . . . 35 LEU HA . 17391 1 312 . 1 1 35 35 LEU HB2 H 1 1.853 0.01 . . . . . . 35 LEU HB . 17391 1 313 . 1 1 35 35 LEU HB3 H 1 1.853 0.01 . . . . . . 35 LEU HB . 17391 1 314 . 1 1 35 35 LEU HG H 1 0.988 0.01 . . . . . . 35 LEU HG . 17391 1 315 . 1 1 35 35 LEU HD11 H 1 0.463 0.01 . . . . . . 35 LEU HD1 . 17391 1 316 . 1 1 35 35 LEU HD12 H 1 0.463 0.01 . . . . . . 35 LEU HD1 . 17391 1 317 . 1 1 35 35 LEU HD13 H 1 0.463 0.01 . . . . . . 35 LEU HD1 . 17391 1 318 . 1 1 35 35 LEU HD21 H 1 0.463 0.01 . . . . . . 35 LEU HD2 . 17391 1 319 . 1 1 35 35 LEU HD22 H 1 0.463 0.01 . . . . . . 35 LEU HD2 . 17391 1 320 . 1 1 35 35 LEU HD23 H 1 0.463 0.01 . . . . . . 35 LEU HD2 . 17391 1 321 . 1 1 35 35 LEU C C 13 176.116 0.1 . . . . . . 35 LEU CO . 17391 1 322 . 1 1 35 35 LEU CA C 13 58.640 0.1 . . . . . . 35 LEU CA . 17391 1 323 . 1 1 35 35 LEU CB C 13 40.209 0.1 . . . . . . 35 LEU CB . 17391 1 324 . 1 1 35 35 LEU N N 15 121.769 0.01 . . . . . . 35 LEU N . 17391 1 325 . 1 1 36 36 VAL H H 1 8.082 0.01 . . . . . . 36 VAL NH . 17391 1 326 . 1 1 36 36 VAL HA H 1 3.582 0.01 . . . . . . 36 VAL HA . 17391 1 327 . 1 1 36 36 VAL HB H 1 2.090 0.01 . . . . . . 36 VAL HB . 17391 1 328 . 1 1 36 36 VAL HG11 H 1 0.856 0.01 . . . . . . 36 VAL HG1 . 17391 1 329 . 1 1 36 36 VAL HG12 H 1 0.856 0.01 . . . . . . 36 VAL HG1 . 17391 1 330 . 1 1 36 36 VAL HG13 H 1 0.856 0.01 . . . . . . 36 VAL HG1 . 17391 1 331 . 1 1 36 36 VAL HG21 H 1 0.856 0.01 . . . . . . 36 VAL HG2 . 17391 1 332 . 1 1 36 36 VAL HG22 H 1 0.856 0.01 . . . . . . 36 VAL HG2 . 17391 1 333 . 1 1 36 36 VAL HG23 H 1 0.856 0.01 . . . . . . 36 VAL HG2 . 17391 1 334 . 1 1 36 36 VAL C C 13 175.828 0.1 . . . . . . 36 VAL CO . 17391 1 335 . 1 1 36 36 VAL CA C 13 64.843 0.1 . . . . . . 36 VAL CA . 17391 1 336 . 1 1 36 36 VAL CB C 13 31.122 0.1 . . . . . . 36 VAL CB . 17391 1 337 . 1 1 36 36 VAL N N 15 116.174 0.01 . . . . . . 36 VAL N . 17391 1 338 . 1 1 37 37 GLY H H 1 8.191 0.01 . . . . . . 37 GLY NH . 17391 1 339 . 1 1 37 37 GLY HA2 H 1 3.726 0.01 . . . . . . 37 GLY HA2 . 17391 1 340 . 1 1 37 37 GLY HA3 H 1 3.726 0.01 . . . . . . 37 GLY HA3 . 17391 1 341 . 1 1 37 37 GLY C C 13 178.362 0.1 . . . . . . 37 GLY CO . 17391 1 342 . 1 1 37 37 GLY CA C 13 46.627 0.1 . . . . . . 37 GLY CA . 17391 1 343 . 1 1 37 37 GLY N N 15 107.453 0.01 . . . . . . 37 GLY N . 17391 1 344 . 1 1 38 38 ALA H H 1 7.349 0.01 . . . . . . 38 ALA NH . 17391 1 345 . 1 1 38 38 ALA HA H 1 4.123 0.01 . . . . . . 38 ALA HA . 17391 1 346 . 1 1 38 38 ALA HB1 H 1 1.353 0.01 . . . . . . 38 ALA HB . 17391 1 347 . 1 1 38 38 ALA HB2 H 1 1.353 0.01 . . . . . . 38 ALA HB . 17391 1 348 . 1 1 38 38 ALA HB3 H 1 1.353 0.01 . . . . . . 38 ALA HB . 17391 1 349 . 1 1 38 38 ALA C C 13 176.003 0.1 . . . . . . 38 ALA CO . 17391 1 350 . 1 1 38 38 ALA CA C 13 53.429 0.1 . . . . . . 38 ALA CA . 17391 1 351 . 1 1 38 38 ALA CB C 13 19.251 0.1 . . . . . . 38 ALA CB . 17391 1 352 . 1 1 38 38 ALA N N 15 121.590 0.01 . . . . . . 38 ALA N . 17391 1 353 . 1 1 39 39 HIS H H 1 7.630 0.01 . . . . . . 39 HIS NH . 17391 1 354 . 1 1 39 39 HIS CB C 13 30.163 0.1 . . . . . . 39 HIS CB . 17391 1 355 . 1 1 39 39 HIS N N 15 115.693 0.01 . . . . . . 39 HIS N . 17391 1 356 . 1 1 40 40 PRO HA H 1 4.639 0.01 . . . . . . 40 PRO HA . 17391 1 357 . 1 1 40 40 PRO HB2 H 1 2.409 0.01 . . . . . . 40 PRO HB2 . 17391 1 358 . 1 1 40 40 PRO HB3 H 1 1.935 0.01 . . . . . . 40 PRO HB3 . 17391 1 359 . 1 1 40 40 PRO C C 13 174.054 0.1 . . . . . . 40 PRO CO . 17391 1 360 . 1 1 40 40 PRO CA C 13 65.054 0.1 . . . . . . 40 PRO CA . 17391 1 361 . 1 1 40 40 PRO CB C 13 31.899 0.1 . . . . . . 40 PRO CB . 17391 1 362 . 1 1 41 41 ALA H H 1 8.804 0.01 . . . . . . 41 ALA NH . 17391 1 363 . 1 1 41 41 ALA HA H 1 4.230 0.01 . . . . . . 41 ALA HA . 17391 1 364 . 1 1 41 41 ALA HB1 H 1 1.335 0.01 . . . . . . 41 ALA HB . 17391 1 365 . 1 1 41 41 ALA HB2 H 1 1.335 0.01 . . . . . . 41 ALA HB . 17391 1 366 . 1 1 41 41 ALA HB3 H 1 1.335 0.01 . . . . . . 41 ALA HB . 17391 1 367 . 1 1 41 41 ALA CA C 13 54.542 0.1 . . . . . . 41 ALA CA . 17391 1 368 . 1 1 41 41 ALA CB C 13 18.759 0.1 . . . . . . 41 ALA CB . 17391 1 369 . 1 1 41 41 ALA N N 15 121.614 0.01 . . . . . . 41 ALA N . 17391 1 370 . 1 1 42 42 LEU H H 1 8.609 0.01 . . . . . . 42 LEU NH . 17391 1 371 . 1 1 42 42 LEU HA H 1 3.936 0.01 . . . . . . 42 LEU HA . 17391 1 372 . 1 1 42 42 LEU HB2 H 1 1.237 0.01 . . . . . . 42 LEU HB . 17391 1 373 . 1 1 42 42 LEU HB3 H 1 1.237 0.01 . . . . . . 42 LEU HB . 17391 1 374 . 1 1 42 42 LEU HG H 1 1.574 0.01 . . . . . . 42 LEU HG . 17391 1 375 . 1 1 42 42 LEU HD11 H 1 0.669 0.01 . . . . . . 42 LEU HD1 . 17391 1 376 . 1 1 42 42 LEU HD12 H 1 0.669 0.01 . . . . . . 42 LEU HD1 . 17391 1 377 . 1 1 42 42 LEU HD13 H 1 0.669 0.01 . . . . . . 42 LEU HD1 . 17391 1 378 . 1 1 42 42 LEU HD21 H 1 0.669 0.01 . . . . . . 42 LEU HD2 . 17391 1 379 . 1 1 42 42 LEU HD22 H 1 0.669 0.01 . . . . . . 42 LEU HD2 . 17391 1 380 . 1 1 42 42 LEU HD23 H 1 0.669 0.01 . . . . . . 42 LEU HD2 . 17391 1 381 . 1 1 42 42 LEU CA C 13 56.232 0.1 . . . . . . 42 LEU CA . 17391 1 382 . 1 1 42 42 LEU CB C 13 43.544 0.1 . . . . . . 42 LEU CB . 17391 1 383 . 1 1 42 42 LEU N N 15 114.013 0.01 . . . . . . 42 LEU N . 17391 1 384 . 1 1 43 43 GLU H H 1 7.842 0.01 . . . . . . 43 GLU NH . 17391 1 385 . 1 1 43 43 GLU N N 15 119.939 0.01 . . . . . . 43 GLU N . 17391 1 386 . 1 1 44 44 SER HA H 1 4.551 0.01 . . . . . . 44 SER HA . 17391 1 387 . 1 1 44 44 SER HB2 H 1 3.967 0.01 . . . . . . 44 SER HB2 . 17391 1 388 . 1 1 44 44 SER HB3 H 1 3.967 0.01 . . . . . . 44 SER HB3 . 17391 1 389 . 1 1 44 44 SER CB C 13 63.070 0.1 . . . . . . 44 SER CB . 17391 1 390 . 1 1 45 45 ARG H H 1 7.477 0.01 . . . . . . 45 ARG NH . 17391 1 391 . 1 1 45 45 ARG HA H 1 4.439 0.01 . . . . . . 45 ARG HA . 17391 1 392 . 1 1 45 45 ARG HB2 H 1 1.892 0.01 . . . . . . 45 ARG HB2 . 17391 1 393 . 1 1 45 45 ARG HB3 H 1 1.684 0.01 . . . . . . 45 ARG HB3 . 17391 1 394 . 1 1 45 45 ARG HD2 H 1 3.074 0.01 . . . . . . 45 ARG HD2 . 17391 1 395 . 1 1 45 45 ARG HD3 H 1 3.074 0.01 . . . . . . 45 ARG HD3 . 17391 1 396 . 1 1 45 45 ARG C C 13 177.786 0.1 . . . . . . 45 ARG CO . 17391 1 397 . 1 1 45 45 ARG CA C 13 55.449 0.1 . . . . . . 45 ARG CA . 17391 1 398 . 1 1 45 45 ARG CB C 13 30.596 0.1 . . . . . . 45 ARG CB . 17391 1 399 . 1 1 45 45 ARG N N 15 118.489 0.01 . . . . . . 45 ARG N . 17391 1 400 . 1 1 46 46 VAL H H 1 7.347 0.01 . . . . . . 46 VAL NH . 17391 1 401 . 1 1 46 46 VAL HA H 1 4.018 0.01 . . . . . . 46 VAL HA . 17391 1 402 . 1 1 46 46 VAL HB H 1 1.478 0.01 . . . . . . 46 VAL HB . 17391 1 403 . 1 1 46 46 VAL HG11 H 1 0.425 0.01 . . . . . . 46 VAL HG1 . 17391 1 404 . 1 1 46 46 VAL HG12 H 1 0.425 0.01 . . . . . . 46 VAL HG1 . 17391 1 405 . 1 1 46 46 VAL HG13 H 1 0.425 0.01 . . . . . . 46 VAL HG1 . 17391 1 406 . 1 1 46 46 VAL HG21 H 1 0.090 0.01 . . . . . . 46 VAL HG2 . 17391 1 407 . 1 1 46 46 VAL HG22 H 1 0.090 0.01 . . . . . . 46 VAL HG2 . 17391 1 408 . 1 1 46 46 VAL HG23 H 1 0.090 0.01 . . . . . . 46 VAL HG2 . 17391 1 409 . 1 1 46 46 VAL CA C 13 63.745 0.1 . . . . . . 46 VAL CA . 17391 1 410 . 1 1 46 46 VAL CB C 13 33.726 0.1 . . . . . . 46 VAL CB . 17391 1 411 . 1 1 46 46 VAL N N 15 115.654 0.01 . . . . . . 46 VAL N . 17391 1 412 . 1 1 47 47 PHE H H 1 7.924 0.01 . . . . . . 47 PHE NH . 17391 1 413 . 1 1 47 47 PHE HA H 1 4.679 0.01 . . . . . . 47 PHE HA . 17391 1 414 . 1 1 47 47 PHE HB2 H 1 2.755 0.01 . . . . . . 47 PHE HB2 . 17391 1 415 . 1 1 47 47 PHE HB3 H 1 2.755 0.01 . . . . . . 47 PHE HB3 . 17391 1 416 . 1 1 47 47 PHE C C 13 177.262 0.1 . . . . . . 47 PHE CO . 17391 1 417 . 1 1 47 47 PHE CA C 13 55.870 0.1 . . . . . . 47 PHE CA . 17391 1 418 . 1 1 47 47 PHE CB C 13 41.485 0.1 . . . . . . 47 PHE CB . 17391 1 419 . 1 1 47 47 PHE N N 15 116.007 0.01 . . . . . . 47 PHE N . 17391 1 420 . 1 1 48 48 GLY H H 1 7.773 0.01 . . . . . . 48 GLY NH . 17391 1 421 . 1 1 48 48 GLY HA2 H 1 4.124 0.01 . . . . . . 48 GLY HA2 . 17391 1 422 . 1 1 48 48 GLY HA3 H 1 3.737 0.01 . . . . . . 48 GLY HA3 . 17391 1 423 . 1 1 48 48 GLY CA C 13 43.896 0.1 . . . . . . 48 GLY CA . 17391 1 424 . 1 1 48 48 GLY N N 15 106.296 0.01 . . . . . . 48 GLY N . 17391 1 425 . 1 1 49 49 ASP H H 1 8.820 0.01 . . . . . . 49 ASP NH . 17391 1 426 . 1 1 49 49 ASP HA H 1 4.333 0.01 . . . . . . 49 ASP HA . 17391 1 427 . 1 1 49 49 ASP HB2 H 1 2.639 0.01 . . . . . . 49 ASP HB2 . 17391 1 428 . 1 1 49 49 ASP HB3 H 1 2.639 0.01 . . . . . . 49 ASP HB3 . 17391 1 429 . 1 1 49 49 ASP CB C 13 40.642 0.1 . . . . . . 49 ASP CB . 17391 1 430 . 1 1 49 49 ASP N N 15 120.594 0.01 . . . . . . 49 ASP N . 17391 1 431 . 1 1 50 50 ASP H H 1 7.401 0.01 . . . . . . 50 ASP NH . 17391 1 432 . 1 1 50 50 ASP HA H 1 4.226 0.01 . . . . . . 50 ASP HA . 17391 1 433 . 1 1 50 50 ASP HB2 H 1 2.660 0.01 . . . . . . 50 ASP HB2 . 17391 1 434 . 1 1 50 50 ASP HB3 H 1 2.660 0.01 . . . . . . 50 ASP HB3 . 17391 1 435 . 1 1 50 50 ASP CA C 13 55.066 0.1 . . . . . . 50 ASP CA . 17391 1 436 . 1 1 50 50 ASP CB C 13 41.279 0.1 . . . . . . 50 ASP CB . 17391 1 437 . 1 1 50 50 ASP N N 15 112.531 0.01 . . . . . . 50 ASP N . 17391 1 438 . 1 1 51 51 GLY H H 1 8.323 0.01 . . . . . . 51 GLY NH . 17391 1 439 . 1 1 51 51 GLY CA C 13 45.364 0.1 . . . . . . 51 GLY CA . 17391 1 440 . 1 1 51 51 GLY N N 15 109.331 0.01 . . . . . . 51 GLY N . 17391 1 441 . 1 1 52 52 GLU H H 1 8.233 0.01 . . . . . . 52 GLU NH . 17391 1 442 . 1 1 52 52 GLU HA H 1 4.308 0.01 . . . . . . 52 GLU HA . 17391 1 443 . 1 1 52 52 GLU HB2 H 1 1.892 0.01 . . . . . . 52 GLU HB2 . 17391 1 444 . 1 1 52 52 GLU HB3 H 1 1.892 0.01 . . . . . . 52 GLU HB3 . 17391 1 445 . 1 1 52 52 GLU CA C 13 56.121 0.1 . . . . . . 52 GLU CA . 17391 1 446 . 1 1 52 52 GLU CB C 13 30.517 0.1 . . . . . . 52 GLU CB . 17391 1 447 . 1 1 52 52 GLU N N 15 120.703 0.01 . . . . . . 52 GLU N . 17391 1 448 . 1 1 53 53 LEU H H 1 8.382 0.01 . . . . . . 53 LEU NH . 17391 1 449 . 1 1 53 53 LEU N N 15 123.816 0.01 . . . . . . 53 LEU N . 17391 1 450 . 1 1 54 54 TYR CA C 13 54.933 0.1 . . . . . . 54 TYR CA . 17391 1 451 . 1 1 54 54 TYR CB C 13 41.189 0.1 . . . . . . 54 TYR CB . 17391 1 452 . 1 1 55 55 ASP H H 1 8.415 0.01 . . . . . . 55 ASP NH . 17391 1 453 . 1 1 55 55 ASP CA C 13 54.687 0.1 . . . . . . 55 ASP CA . 17391 1 454 . 1 1 55 55 ASP CB C 13 41.167 0.1 . . . . . . 55 ASP CB . 17391 1 455 . 1 1 55 55 ASP N N 15 120.125 0.01 . . . . . . 55 ASP N . 17391 1 456 . 1 1 58 58 ASN H H 1 8.466 0.01 . . . . . . 58 ASN NH . 17391 1 457 . 1 1 58 58 ASN HA H 1 4.638 0.01 . . . . . . 58 ASN HA . 17391 1 458 . 1 1 58 58 ASN HB2 H 1 2.630 0.01 . . . . . . 58 ASN HB2 . 17391 1 459 . 1 1 58 58 ASN HB3 H 1 2.630 0.01 . . . . . . 58 ASN HB3 . 17391 1 460 . 1 1 58 58 ASN C C 13 176.932 0.1 . . . . . . 58 ASN CO . 17391 1 461 . 1 1 58 58 ASN CA C 13 52.782 0.1 . . . . . . 58 ASN CA . 17391 1 462 . 1 1 58 58 ASN CB C 13 38.757 0.1 . . . . . . 58 ASN CB . 17391 1 463 . 1 1 58 58 ASN N N 15 122.225 0.01 . . . . . . 58 ASN N . 17391 1 464 . 1 1 59 59 VAL H H 1 8.431 0.01 . . . . . . 59 VAL NH . 17391 1 465 . 1 1 59 59 VAL HA H 1 5.018 0.01 . . . . . . 59 VAL HA . 17391 1 466 . 1 1 59 59 VAL HB H 1 2.087 0.01 . . . . . . 59 VAL HB . 17391 1 467 . 1 1 59 59 VAL C C 13 178.344 0.1 . . . . . . 59 VAL CO . 17391 1 468 . 1 1 59 59 VAL CA C 13 62.674 0.1 . . . . . . 59 VAL CA . 17391 1 469 . 1 1 59 59 VAL CB C 13 32.800 0.1 . . . . . . 59 VAL CB . 17391 1 470 . 1 1 59 59 VAL N N 15 122.517 0.01 . . . . . . 59 VAL N . 17391 1 471 . 1 1 60 60 LEU H H 1 8.975 0.01 . . . . . . 60 LEU NH . 17391 1 472 . 1 1 60 60 LEU HA H 1 5.034 0.01 . . . . . . 60 LEU HA . 17391 1 473 . 1 1 60 60 LEU HB2 H 1 1.727 0.01 . . . . . . 60 LEU HB2 . 17391 1 474 . 1 1 60 60 LEU HB3 H 1 0.927 0.01 . . . . . . 60 LEU HB3 . 17391 1 475 . 1 1 60 60 LEU HD11 H 1 0.537 0.01 . . . . . . 60 LEU HD1 . 17391 1 476 . 1 1 60 60 LEU HD12 H 1 0.537 0.01 . . . . . . 60 LEU HD1 . 17391 1 477 . 1 1 60 60 LEU HD13 H 1 0.537 0.01 . . . . . . 60 LEU HD1 . 17391 1 478 . 1 1 60 60 LEU HD21 H 1 0.537 0.01 . . . . . . 60 LEU HD2 . 17391 1 479 . 1 1 60 60 LEU HD22 H 1 0.537 0.01 . . . . . . 60 LEU HD2 . 17391 1 480 . 1 1 60 60 LEU HD23 H 1 0.537 0.01 . . . . . . 60 LEU HD2 . 17391 1 481 . 1 1 60 60 LEU C C 13 178.019 0.1 . . . . . . 60 LEU CO . 17391 1 482 . 1 1 60 60 LEU CA C 13 52.910 0.1 . . . . . . 60 LEU CA . 17391 1 483 . 1 1 60 60 LEU CB C 13 45.100 0.1 . . . . . . 60 LEU CB . 17391 1 484 . 1 1 60 60 LEU N N 15 125.766 0.01 . . . . . . 60 LEU N . 17391 1 485 . 1 1 61 61 ARG H H 1 9.303 0.01 . . . . . . 61 ARG NH . 17391 1 486 . 1 1 61 61 ARG HA H 1 4.715 0.01 . . . . . . 61 ARG HA . 17391 1 487 . 1 1 61 61 ARG HB2 H 1 1.831 0.01 . . . . . . 61 ARG HB2 . 17391 1 488 . 1 1 61 61 ARG HB3 H 1 1.014 0.01 . . . . . . 61 ARG HB3 . 17391 1 489 . 1 1 61 61 ARG HG2 H 1 1.062 0.01 . . . . . . 61 ARG HG2 . 17391 1 490 . 1 1 61 61 ARG HG3 H 1 1.062 0.01 . . . . . . 61 ARG HG3 . 17391 1 491 . 1 1 61 61 ARG HD2 H 1 2.947 0.01 . . . . . . 61 ARG HD2 . 17391 1 492 . 1 1 61 61 ARG HD3 H 1 2.947 0.01 . . . . . . 61 ARG HD3 . 17391 1 493 . 1 1 61 61 ARG C C 13 178.030 0.1 . . . . . . 61 ARG CO . 17391 1 494 . 1 1 61 61 ARG CA C 13 54.791 0.1 . . . . . . 61 ARG CA . 17391 1 495 . 1 1 61 61 ARG CB C 13 33.073 0.1 . . . . . . 61 ARG CB . 17391 1 496 . 1 1 61 61 ARG N N 15 120.542 0.01 . . . . . . 61 ARG N . 17391 1 497 . 1 1 62 62 ASN H H 1 9.795 0.01 . . . . . . 62 ASN NH . 17391 1 498 . 1 1 62 62 ASN HA H 1 4.426 0.01 . . . . . . 62 ASN HA . 17391 1 499 . 1 1 62 62 ASN HB2 H 1 2.875 0.01 . . . . . . 62 ASN HB2 . 17391 1 500 . 1 1 62 62 ASN HB3 H 1 2.875 0.01 . . . . . . 62 ASN HB3 . 17391 1 501 . 1 1 62 62 ASN C C 13 177.774 0.1 . . . . . . 62 ASN CO . 17391 1 502 . 1 1 62 62 ASN CA C 13 54.555 0.1 . . . . . . 62 ASN CA . 17391 1 503 . 1 1 62 62 ASN CB C 13 37.123 0.1 . . . . . . 62 ASN CB . 17391 1 504 . 1 1 62 62 ASN N N 15 127.063 0.01 . . . . . . 62 ASN N . 17391 1 505 . 1 1 63 63 GLY H H 1 9.149 0.01 . . . . . . 63 GLY NH . 17391 1 506 . 1 1 63 63 GLY HA2 H 1 4.140 0.01 . . . . . . 63 GLY HA2 . 17391 1 507 . 1 1 63 63 GLY HA3 H 1 3.369 0.01 . . . . . . 63 GLY HA3 . 17391 1 508 . 1 1 63 63 GLY CA C 13 45.516 0.1 . . . . . . 63 GLY CA . 17391 1 509 . 1 1 63 63 GLY N N 15 103.333 0.01 . . . . . . 63 GLY N . 17391 1 510 . 1 1 64 64 GLU H H 1 7.592 0.01 . . . . . . 64 GLU NH . 17391 1 511 . 1 1 64 64 GLU HA H 1 4.678 0.01 . . . . . . 64 GLU HA . 17391 1 512 . 1 1 64 64 GLU HB2 H 1 2.084 0.01 . . . . . . 64 GLU HB2 . 17391 1 513 . 1 1 64 64 GLU HB3 H 1 1.866 0.01 . . . . . . 64 GLU HB3 . 17391 1 514 . 1 1 64 64 GLU HG2 H 1 2.282 0.01 . . . . . . 64 GLU HG2 . 17391 1 515 . 1 1 64 64 GLU HG3 H 1 2.166 0.01 . . . . . . 64 GLU HG3 . 17391 1 516 . 1 1 64 64 GLU CA C 13 53.796 0.1 . . . . . . 64 GLU CA . 17391 1 517 . 1 1 64 64 GLU CB C 13 32.473 0.1 . . . . . . 64 GLU CB . 17391 1 518 . 1 1 64 64 GLU N N 15 119.613 0.01 . . . . . . 64 GLU N . 17391 1 519 . 1 1 65 65 ALA H H 1 8.793 0.01 . . . . . . 65 ALA NH . 17391 1 520 . 1 1 65 65 ALA HA H 1 4.266 0.01 . . . . . . 65 ALA HA . 17391 1 521 . 1 1 65 65 ALA HB1 H 1 1.350 0.01 . . . . . . 65 ALA HB . 17391 1 522 . 1 1 65 65 ALA HB2 H 1 1.350 0.01 . . . . . . 65 ALA HB . 17391 1 523 . 1 1 65 65 ALA HB3 H 1 1.350 0.01 . . . . . . 65 ALA HB . 17391 1 524 . 1 1 65 65 ALA CA C 13 54.009 0.1 . . . . . . 65 ALA CA . 17391 1 525 . 1 1 65 65 ALA CB C 13 18.331 0.1 . . . . . . 65 ALA CB . 17391 1 526 . 1 1 65 65 ALA N N 15 125.660 0.01 . . . . . . 65 ALA N . 17391 1 527 . 1 1 66 66 ALA H H 1 8.295 0.01 . . . . . . 66 ALA NH . 17391 1 528 . 1 1 66 66 ALA HA H 1 4.997 0.01 . . . . . . 66 ALA HA . 17391 1 529 . 1 1 66 66 ALA HB1 H 1 1.163 0.01 . . . . . . 66 ALA HB . 17391 1 530 . 1 1 66 66 ALA HB2 H 1 1.163 0.01 . . . . . . 66 ALA HB . 17391 1 531 . 1 1 66 66 ALA HB3 H 1 1.163 0.01 . . . . . . 66 ALA HB . 17391 1 532 . 1 1 66 66 ALA CA C 13 50.521 0.1 . . . . . . 66 ALA CA . 17391 1 533 . 1 1 66 66 ALA CB C 13 23.193 0.1 . . . . . . 66 ALA CB . 17391 1 534 . 1 1 66 66 ALA N N 15 124.776 0.01 . . . . . . 66 ALA N . 17391 1 535 . 1 1 67 67 ALA H H 1 8.381 0.01 . . . . . . 67 ALA NH . 17391 1 536 . 1 1 67 67 ALA HA H 1 4.558 0.01 . . . . . . 67 ALA HA . 17391 1 537 . 1 1 67 67 ALA HB1 H 1 1.479 0.01 . . . . . . 67 ALA HB . 17391 1 538 . 1 1 67 67 ALA HB2 H 1 1.479 0.01 . . . . . . 67 ALA HB . 17391 1 539 . 1 1 67 67 ALA HB3 H 1 1.479 0.01 . . . . . . 67 ALA HB . 17391 1 540 . 1 1 67 67 ALA C C 13 175.223 0.1 . . . . . . 67 ALA CO . 17391 1 541 . 1 1 67 67 ALA CA C 13 50.305 0.1 . . . . . . 67 ALA CA . 17391 1 542 . 1 1 67 67 ALA CB C 13 20.509 0.1 . . . . . . 67 ALA CB . 17391 1 543 . 1 1 67 67 ALA N N 15 124.294 0.01 . . . . . . 67 ALA N . 17391 1 544 . 1 1 68 68 LEU H H 1 8.633 0.01 . . . . . . 68 LEU NH . 17391 1 545 . 1 1 68 68 LEU HA H 1 3.878 0.01 . . . . . . 68 LEU HA . 17391 1 546 . 1 1 68 68 LEU HB2 H 1 1.827 0.01 . . . . . . 68 LEU HB2 . 17391 1 547 . 1 1 68 68 LEU HB3 H 1 1.433 0.01 . . . . . . 68 LEU HB3 . 17391 1 548 . 1 1 68 68 LEU HD11 H 1 1.000 0.01 . . . . . . 68 LEU HD1 . 17391 1 549 . 1 1 68 68 LEU HD12 H 1 1.000 0.01 . . . . . . 68 LEU HD1 . 17391 1 550 . 1 1 68 68 LEU HD13 H 1 1.000 0.01 . . . . . . 68 LEU HD1 . 17391 1 551 . 1 1 68 68 LEU HD21 H 1 0.838 0.01 . . . . . . 68 LEU HD2 . 17391 1 552 . 1 1 68 68 LEU HD22 H 1 0.838 0.01 . . . . . . 68 LEU HD2 . 17391 1 553 . 1 1 68 68 LEU HD23 H 1 0.838 0.01 . . . . . . 68 LEU HD2 . 17391 1 554 . 1 1 68 68 LEU C C 13 174.754 0.1 . . . . . . 68 LEU CO . 17391 1 555 . 1 1 68 68 LEU CA C 13 57.520 0.1 . . . . . . 68 LEU CA . 17391 1 556 . 1 1 68 68 LEU CB C 13 40.372 0.1 . . . . . . 68 LEU CB . 17391 1 557 . 1 1 68 68 LEU N N 15 117.801 0.01 . . . . . . 68 LEU N . 17391 1 558 . 1 1 69 69 GLY H H 1 8.204 0.01 . . . . . . 69 GLY NH . 17391 1 559 . 1 1 69 69 GLY HA2 H 1 4.174 0.01 . . . . . . 69 GLY HA2 . 17391 1 560 . 1 1 69 69 GLY HA3 H 1 3.635 0.01 . . . . . . 69 GLY HA3 . 17391 1 561 . 1 1 69 69 GLY C C 13 179.384 0.1 . . . . . . 69 GLY CO . 17391 1 562 . 1 1 69 69 GLY CA C 13 45.110 0.1 . . . . . . 69 GLY CA . 17391 1 563 . 1 1 69 69 GLY N N 15 103.125 0.01 . . . . . . 69 GLY N . 17391 1 564 . 1 1 70 70 GLU H H 1 7.329 0.01 . . . . . . 70 GLU NH . 17391 1 565 . 1 1 70 70 GLU HB2 H 1 2.094 0.01 . . . . . . 70 GLU HB2 . 17391 1 566 . 1 1 70 70 GLU HB3 H 1 2.094 0.01 . . . . . . 70 GLU HB3 . 17391 1 567 . 1 1 70 70 GLU CA C 13 56.428 0.1 . . . . . . 70 GLU CA . 17391 1 568 . 1 1 70 70 GLU CB C 13 30.998 0.1 . . . . . . 70 GLU CB . 17391 1 569 . 1 1 70 70 GLU N N 15 120.281 0.01 . . . . . . 70 GLU N . 17391 1 570 . 1 1 71 71 ALA H H 1 8.290 0.01 . . . . . . 71 ALA NH . 17391 1 571 . 1 1 71 71 ALA HA H 1 4.225 0.01 . . . . . . 71 ALA HA . 17391 1 572 . 1 1 71 71 ALA HB1 H 1 1.375 0.01 . . . . . . 71 ALA HB . 17391 1 573 . 1 1 71 71 ALA HB2 H 1 1.375 0.01 . . . . . . 71 ALA HB . 17391 1 574 . 1 1 71 71 ALA HB3 H 1 1.375 0.01 . . . . . . 71 ALA HB . 17391 1 575 . 1 1 71 71 ALA C C 13 176.302 0.1 . . . . . . 71 ALA CO . 17391 1 576 . 1 1 71 71 ALA CA C 13 52.952 0.1 . . . . . . 71 ALA CA . 17391 1 577 . 1 1 71 71 ALA CB C 13 19.652 0.1 . . . . . . 71 ALA CB . 17391 1 578 . 1 1 71 71 ALA N N 15 124.294 0.01 . . . . . . 71 ALA N . 17391 1 579 . 1 1 72 72 THR H H 1 7.740 0.01 . . . . . . 72 THR NH . 17391 1 580 . 1 1 72 72 THR CA C 13 63.307 0.1 . . . . . . 72 THR CA . 17391 1 581 . 1 1 72 72 THR CB C 13 72.003 0.1 . . . . . . 72 THR CB . 17391 1 582 . 1 1 72 72 THR N N 15 109.088 0.01 . . . . . . 72 THR N . 17391 1 583 . 1 1 73 73 ALA H H 1 8.591 0.01 . . . . . . 73 ALA NH . 17391 1 584 . 1 1 73 73 ALA HA H 1 4.582 0.01 . . . . . . 73 ALA HA . 17391 1 585 . 1 1 73 73 ALA HB1 H 1 1.295 0.01 . . . . . . 73 ALA HB . 17391 1 586 . 1 1 73 73 ALA HB2 H 1 1.295 0.01 . . . . . . 73 ALA HB . 17391 1 587 . 1 1 73 73 ALA HB3 H 1 1.295 0.01 . . . . . . 73 ALA HB . 17391 1 588 . 1 1 73 73 ALA CA C 13 50.724 0.1 . . . . . . 73 ALA CA . 17391 1 589 . 1 1 73 73 ALA CB C 13 22.179 0.1 . . . . . . 73 ALA CB . 17391 1 590 . 1 1 73 73 ALA N N 15 124.521 0.01 . . . . . . 73 ALA N . 17391 1 591 . 1 1 74 74 ALA H H 1 8.384 0.01 . . . . . . 74 ALA NH . 17391 1 592 . 1 1 74 74 ALA HA H 1 3.999 0.01 . . . . . . 74 ALA HA . 17391 1 593 . 1 1 74 74 ALA HB1 H 1 1.341 0.01 . . . . . . 74 ALA HB . 17391 1 594 . 1 1 74 74 ALA HB2 H 1 1.341 0.01 . . . . . . 74 ALA HB . 17391 1 595 . 1 1 74 74 ALA HB3 H 1 1.341 0.01 . . . . . . 74 ALA HB . 17391 1 596 . 1 1 74 74 ALA C C 13 174.485 0.1 . . . . . . 74 ALA CO . 17391 1 597 . 1 1 74 74 ALA CA C 13 54.612 0.1 . . . . . . 74 ALA CA . 17391 1 598 . 1 1 74 74 ALA CB C 13 18.326 0.1 . . . . . . 74 ALA CB . 17391 1 599 . 1 1 74 74 ALA N N 15 121.573 0.01 . . . . . . 74 ALA N . 17391 1 600 . 1 1 75 75 GLY H H 1 8.577 0.01 . . . . . . 75 GLY NH . 17391 1 601 . 1 1 75 75 GLY HA2 H 1 3.918 0.01 . . . . . . 75 GLY HA . 17391 1 602 . 1 1 75 75 GLY HA3 H 1 3.918 0.01 . . . . . . 75 GLY HA . 17391 1 603 . 1 1 75 75 GLY C C 13 178.809 0.1 . . . . . . 75 GLY CO . 17391 1 604 . 1 1 75 75 GLY CA C 13 44.713 0.1 . . . . . . 75 GLY CA . 17391 1 605 . 1 1 75 75 GLY N N 15 107.681 0.01 . . . . . . 75 GLY N . 17391 1 606 . 1 1 76 76 ASP H H 1 7.778 0.01 . . . . . . 76 ASP NH . 17391 1 607 . 1 1 76 76 ASP HA H 1 4.559 0.01 . . . . . . 76 ASP HA . 17391 1 608 . 1 1 76 76 ASP HB2 H 1 2.917 0.01 . . . . . . 76 ASP HB2 . 17391 1 609 . 1 1 76 76 ASP HB3 H 1 2.917 0.01 . . . . . . 76 ASP HB3 . 17391 1 610 . 1 1 76 76 ASP CA C 13 55.328 0.1 . . . . . . 76 ASP CA . 17391 1 611 . 1 1 76 76 ASP CB C 13 42.200 0.1 . . . . . . 76 ASP CB . 17391 1 612 . 1 1 76 76 ASP N N 15 120.714 0.01 . . . . . . 76 ASP N . 17391 1 613 . 1 1 77 77 GLU H H 1 8.031 0.01 . . . . . . 77 GLU NH . 17391 1 614 . 1 1 77 77 GLU HA H 1 4.587 0.01 . . . . . . 77 GLU HA . 17391 1 615 . 1 1 77 77 GLU HB2 H 1 1.916 0.01 . . . . . . 77 GLU HB2 . 17391 1 616 . 1 1 77 77 GLU HG2 H 1 2.162 0.01 . . . . . . 77 GLU HG2 . 17391 1 617 . 1 1 77 77 GLU HG3 H 1 2.162 0.01 . . . . . . 77 GLU HG3 . 17391 1 618 . 1 1 77 77 GLU C C 13 178.614 0.1 . . . . . . 77 GLU CO . 17391 1 619 . 1 1 77 77 GLU CA C 13 55.099 0.1 . . . . . . 77 GLU CA . 17391 1 620 . 1 1 77 77 GLU CB C 13 32.096 0.1 . . . . . . 77 GLU CB . 17391 1 621 . 1 1 77 77 GLU N N 15 120.811 0.01 . . . . . . 77 GLU N . 17391 1 622 . 1 1 78 78 LEU H H 1 8.343 0.01 . . . . . . 78 LEU NH . 17391 1 623 . 1 1 78 78 LEU HA H 1 5.062 0.01 . . . . . . 78 LEU HA . 17391 1 624 . 1 1 78 78 LEU HB2 H 1 0.477 0.01 . . . . . . 78 LEU HB2 . 17391 1 625 . 1 1 78 78 LEU HB3 H 1 0.477 0.01 . . . . . . 78 LEU HB3 . 17391 1 626 . 1 1 78 78 LEU HD11 H 1 0.463 0.01 . . . . . . 78 LEU HD1 . 17391 1 627 . 1 1 78 78 LEU HD12 H 1 0.463 0.01 . . . . . . 78 LEU HD1 . 17391 1 628 . 1 1 78 78 LEU HD13 H 1 0.463 0.01 . . . . . . 78 LEU HD1 . 17391 1 629 . 1 1 78 78 LEU HD21 H 1 0.096 0.01 . . . . . . 78 LEU HD2 . 17391 1 630 . 1 1 78 78 LEU HD22 H 1 0.096 0.01 . . . . . . 78 LEU HD2 . 17391 1 631 . 1 1 78 78 LEU HD23 H 1 0.096 0.01 . . . . . . 78 LEU HD2 . 17391 1 632 . 1 1 78 78 LEU C C 13 178.668 0.1 . . . . . . 78 LEU CO . 17391 1 633 . 1 1 78 78 LEU CA C 13 52.835 0.1 . . . . . . 78 LEU CA . 17391 1 634 . 1 1 78 78 LEU CB C 13 40.794 0.1 . . . . . . 78 LEU CB . 17391 1 635 . 1 1 78 78 LEU N N 15 129.087 0.01 . . . . . . 78 LEU N . 17391 1 636 . 1 1 79 79 ALA H H 1 8.952 0.01 . . . . . . 79 ALA NH . 17391 1 637 . 1 1 79 79 ALA HA H 1 5.826 0.1 . . . . . . 79 ALA HA . 17391 1 638 . 1 1 79 79 ALA HB1 H 1 1.469 0.01 . . . . . . 79 ALA HB . 17391 1 639 . 1 1 79 79 ALA HB2 H 1 1.469 0.01 . . . . . . 79 ALA HB . 17391 1 640 . 1 1 79 79 ALA HB3 H 1 1.469 0.01 . . . . . . 79 ALA HB . 17391 1 641 . 1 1 79 79 ALA CA C 13 50.911 0.1 . . . . . . 79 ALA CA . 17391 1 642 . 1 1 79 79 ALA N N 15 123.024 0.01 . . . . . . 79 ALA N . 17391 1 643 . 1 1 80 80 LEU H H 1 8.396 0.01 . . . . . . 80 LEU NH . 17391 1 644 . 1 1 80 80 LEU HA H 1 5.325 0.01 . . . . . . 80 LEU HA . 17391 1 645 . 1 1 80 80 LEU HD11 H 1 0.482 0.01 . . . . . . 80 LEU HD1 . 17391 1 646 . 1 1 80 80 LEU HD12 H 1 0.482 0.01 . . . . . . 80 LEU HD1 . 17391 1 647 . 1 1 80 80 LEU HD13 H 1 0.482 0.01 . . . . . . 80 LEU HD1 . 17391 1 648 . 1 1 80 80 LEU HD21 H 1 0.482 0.01 . . . . . . 80 LEU HD2 . 17391 1 649 . 1 1 80 80 LEU HD22 H 1 0.482 0.01 . . . . . . 80 LEU HD2 . 17391 1 650 . 1 1 80 80 LEU HD23 H 1 0.482 0.01 . . . . . . 80 LEU HD2 . 17391 1 651 . 1 1 80 80 LEU C C 13 178.816 0.1 . . . . . . 80 LEU CO . 17391 1 652 . 1 1 80 80 LEU CA C 13 53.544 0.1 . . . . . . 80 LEU CA . 17391 1 653 . 1 1 80 80 LEU CB C 13 45.057 0.1 . . . . . . 80 LEU CB . 17391 1 654 . 1 1 80 80 LEU N N 15 121.621 0.01 . . . . . . 80 LEU N . 17391 1 655 . 1 1 81 81 PHE H H 1 8.823 0.01 . . . . . . 81 PHE NH . 17391 1 656 . 1 1 81 81 PHE N N 15 123.326 0.01 . . . . . . 81 PHE N . 17391 1 657 . 1 1 84 84 VAL HA H 1 4.039 0.01 . . . . . . 84 VAL HA . 17391 1 658 . 1 1 84 84 VAL HG11 H 1 0.880 0.01 . . . . . . 84 VAL HG1 . 17391 1 659 . 1 1 84 84 VAL HG12 H 1 0.880 0.01 . . . . . . 84 VAL HG1 . 17391 1 660 . 1 1 84 84 VAL HG13 H 1 0.880 0.01 . . . . . . 84 VAL HG1 . 17391 1 661 . 1 1 84 84 VAL HG21 H 1 0.880 0.01 . . . . . . 84 VAL HG2 . 17391 1 662 . 1 1 84 84 VAL HG22 H 1 0.880 0.01 . . . . . . 84 VAL HG2 . 17391 1 663 . 1 1 84 84 VAL HG23 H 1 0.880 0.01 . . . . . . 84 VAL HG2 . 17391 1 664 . 1 1 84 84 VAL CA C 13 62.239 0.1 . . . . . . 84 VAL CA . 17391 1 665 . 1 1 84 84 VAL CB C 13 30.138 0.1 . . . . . . 84 VAL CB . 17391 1 666 . 1 1 85 85 SER H H 1 8.486 0.01 . . . . . . 85 SER NH . 17391 1 667 . 1 1 85 85 SER N N 15 109.716 0.01 . . . . . . 85 SER N . 17391 1 stop_ save_