data_27179 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 27179 _Entry.Title ; Backbone 1H, 13C, and 15N Chemical Shift Assignments for the Hepatitis B Virus X protein (HBx) ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2017-07-14 _Entry.Accession_date 2017-07-14 _Entry.Last_release_date 2017-07-14 _Entry.Original_release_date 2017-07-14 _Entry.Origination author _Entry.Format_name . _Entry.NMR_STAR_version 3.2.14.0 _Entry.NMR_STAR_dict_location . _Entry.Original_NMR_STAR_version 3.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype solution _Entry.Source_data_format . _Entry.Source_data_format_version . _Entry.Generated_software_name . _Entry.Generated_software_version . _Entry.Generated_software_ID . _Entry.Generated_software_label . _Entry.Generated_date . _Entry.DOI . _Entry.UUID . _Entry.Related_coordinate_file_name . _Entry.Details . _Entry.BMRB_internal_directory_name . loop_ _Entry_author.Ordinal _Entry_author.Given_name _Entry_author.Family_name _Entry_author.First_initial _Entry_author.Middle_initials _Entry_author.Family_title _Entry_author.ORCID _Entry_author.Entry_ID 1 Leonildo Delgado . . . . 27179 2 Stephan Grzesiek . . . . 27179 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 27179 heteronucl_NOEs 2 27179 heteronucl_T1_relaxation 2 27179 heteronucl_T2_relaxation 2 27179 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 450 27179 '15N chemical shifts' 115 27179 '1H chemical shifts' 629 27179 'T1 relaxation values' 219 27179 'T2 relaxation values' 219 27179 'heteronuclear NOE values' 224 27179 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 . . 2022-04-04 2017-07-14 update BMRB 'update Polymer_type' 27179 1 . . 2019-03-15 2017-07-14 original author 'original release' 27179 stop_ save_ ############### # Citations # ############### save_Citation_1 _Citation.Sf_category citations _Citation.Sf_framecode Citation_1 _Citation.Entry_ID 27179 _Citation.ID 1 _Citation.Name . _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.PubMed_ID . _Citation.DOI . _Citation.Full_citation . _Citation.Title ; 1H, 15N, 13C assignments and 15N relaxation data of the intrinsically disordered hepatitis B virus X protein (HBx) in a detergent mixture ; _Citation.Status 'in preparation' _Citation.Type 'BMRB only' _Citation.Journal_abbrev 'Not known' _Citation.Journal_name_full . _Citation.Journal_volume . _Citation.Journal_issue . _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 . _Citation.Page_last . _Citation.Year . _Citation.Details . loop_ _Citation_author.Ordinal _Citation_author.Given_name _Citation_author.Family_name _Citation_author.First_initial _Citation_author.Middle_initials _Citation_author.Family_title _Citation_author.ORCID _Citation_author.Entry_ID _Citation_author.Citation_ID 1 Leonildo Delgado . . . . 27179 1 2 Stephan Grzesiek . . . . 27179 1 3 Leonildo Delgado . . . . 27179 1 4 Stephan Grzesiek . . . . 27179 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 27179 _Assembly.ID 1 _Assembly.Name 'Hepatitis B virus X protein (HBx) monomer' _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 'Hepatitis B virus X protein (HBx)' 1 $Hepatitis_B_virus_X_protein_(HBx) A . yes 'intrinsically disordered' yes yes . . . 27179 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_Hepatitis_B_virus_X_protein_(HBx) _Entity.Sf_category entity _Entity.Sf_framecode Hepatitis_B_virus_X_protein_(HBx) _Entity.Entry_ID 27179 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name Hepatitis_B_virus_X_protein_(HBx) _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 ; MGSSHHHHHHSSGRENLYFQ GSGSAARLSSQLDPARDVLS LRPVGAESRGRPFSGSLGTL SSPSPSAVPTDHGAHLSLRG LPVSAFSSAGPSALRFTSAR RMETTVNAHQILPKVLHKRT LGLSAMSTTDLEAYFKDSLF KDWEELGEEIRLKVFVLGGS RHKLVSAPAPSNFFTSA ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states yes _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 177 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'not present' _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 . 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 -22 MET . 27179 1 2 -21 GLY . 27179 1 3 -20 SER . 27179 1 4 -19 SER . 27179 1 5 -18 HIS . 27179 1 6 -17 HIS . 27179 1 7 -16 HIS . 27179 1 8 -15 HIS . 27179 1 9 -14 HIS . 27179 1 10 -13 HIS . 27179 1 11 -12 SER . 27179 1 12 -11 SER . 27179 1 13 -10 GLY . 27179 1 14 -9 ARG . 27179 1 15 -8 GLU . 27179 1 16 -7 ASN . 27179 1 17 -6 LEU . 27179 1 18 -5 TYR . 27179 1 19 -4 PHE . 27179 1 20 -3 GLN . 27179 1 21 -2 GLY . 27179 1 22 -1 SER . 27179 1 23 0 GLY . 27179 1 24 1 SER . 27179 1 25 2 ALA . 27179 1 26 3 ALA . 27179 1 27 4 ARG . 27179 1 28 5 LEU . 27179 1 29 6 SER . 27179 1 30 7 SER . 27179 1 31 8 GLN . 27179 1 32 9 LEU . 27179 1 33 10 ASP . 27179 1 34 11 PRO . 27179 1 35 12 ALA . 27179 1 36 13 ARG . 27179 1 37 14 ASP . 27179 1 38 15 VAL . 27179 1 39 16 LEU . 27179 1 40 17 SER . 27179 1 41 18 LEU . 27179 1 42 19 ARG . 27179 1 43 20 PRO . 27179 1 44 21 VAL . 27179 1 45 22 GLY . 27179 1 46 23 ALA . 27179 1 47 24 GLU . 27179 1 48 25 SER . 27179 1 49 26 ARG . 27179 1 50 27 GLY . 27179 1 51 28 ARG . 27179 1 52 29 PRO . 27179 1 53 30 PHE . 27179 1 54 31 SER . 27179 1 55 32 GLY . 27179 1 56 33 SER . 27179 1 57 34 LEU . 27179 1 58 35 GLY . 27179 1 59 36 THR . 27179 1 60 37 LEU . 27179 1 61 38 SER . 27179 1 62 39 SER . 27179 1 63 40 PRO . 27179 1 64 41 SER . 27179 1 65 42 PRO . 27179 1 66 43 SER . 27179 1 67 44 ALA . 27179 1 68 45 VAL . 27179 1 69 46 PRO . 27179 1 70 47 THR . 27179 1 71 48 ASP . 27179 1 72 49 HIS . 27179 1 73 50 GLY . 27179 1 74 51 ALA . 27179 1 75 52 HIS . 27179 1 76 53 LEU . 27179 1 77 54 SER . 27179 1 78 55 LEU . 27179 1 79 56 ARG . 27179 1 80 57 GLY . 27179 1 81 58 LEU . 27179 1 82 59 PRO . 27179 1 83 60 VAL . 27179 1 84 61 SER . 27179 1 85 62 ALA . 27179 1 86 63 PHE . 27179 1 87 64 SER . 27179 1 88 65 SER . 27179 1 89 66 ALA . 27179 1 90 67 GLY . 27179 1 91 68 PRO . 27179 1 92 69 SER . 27179 1 93 70 ALA . 27179 1 94 71 LEU . 27179 1 95 72 ARG . 27179 1 96 73 PHE . 27179 1 97 74 THR . 27179 1 98 75 SER . 27179 1 99 76 ALA . 27179 1 100 77 ARG . 27179 1 101 78 ARG . 27179 1 102 79 MET . 27179 1 103 80 GLU . 27179 1 104 81 THR . 27179 1 105 82 THR . 27179 1 106 83 VAL . 27179 1 107 84 ASN . 27179 1 108 85 ALA . 27179 1 109 86 HIS . 27179 1 110 87 GLN . 27179 1 111 88 ILE . 27179 1 112 89 LEU . 27179 1 113 90 PRO . 27179 1 114 91 LYS . 27179 1 115 92 VAL . 27179 1 116 93 LEU . 27179 1 117 94 HIS . 27179 1 118 95 LYS . 27179 1 119 96 ARG . 27179 1 120 97 THR . 27179 1 121 98 LEU . 27179 1 122 99 GLY . 27179 1 123 100 LEU . 27179 1 124 101 SER . 27179 1 125 102 ALA . 27179 1 126 103 MET . 27179 1 127 104 SER . 27179 1 128 105 THR . 27179 1 129 106 THR . 27179 1 130 107 ASP . 27179 1 131 108 LEU . 27179 1 132 109 GLU . 27179 1 133 110 ALA . 27179 1 134 111 TYR . 27179 1 135 112 PHE . 27179 1 136 113 LYS . 27179 1 137 114 ASP . 27179 1 138 115 SER . 27179 1 139 116 LEU . 27179 1 140 117 PHE . 27179 1 141 118 LYS . 27179 1 142 119 ASP . 27179 1 143 120 TRP . 27179 1 144 121 GLU . 27179 1 145 122 GLU . 27179 1 146 123 LEU . 27179 1 147 124 GLY . 27179 1 148 125 GLU . 27179 1 149 126 GLU . 27179 1 150 127 ILE . 27179 1 151 128 ARG . 27179 1 152 129 LEU . 27179 1 153 130 LYS . 27179 1 154 131 VAL . 27179 1 155 132 PHE . 27179 1 156 133 VAL . 27179 1 157 134 LEU . 27179 1 158 135 GLY . 27179 1 159 136 GLY . 27179 1 160 137 SER . 27179 1 161 138 ARG . 27179 1 162 139 HIS . 27179 1 163 140 LYS . 27179 1 164 141 LEU . 27179 1 165 142 VAL . 27179 1 166 143 SER . 27179 1 167 144 ALA . 27179 1 168 145 PRO . 27179 1 169 146 ALA . 27179 1 170 147 PRO . 27179 1 171 148 SER . 27179 1 172 149 ASN . 27179 1 173 150 PHE . 27179 1 174 151 PHE . 27179 1 175 152 THR . 27179 1 176 153 SER . 27179 1 177 154 ALA . 27179 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 27179 1 . GLY 2 2 27179 1 . SER 3 3 27179 1 . SER 4 4 27179 1 . HIS 5 5 27179 1 . HIS 6 6 27179 1 . HIS 7 7 27179 1 . HIS 8 8 27179 1 . HIS 9 9 27179 1 . HIS 10 10 27179 1 . SER 11 11 27179 1 . SER 12 12 27179 1 . GLY 13 13 27179 1 . ARG 14 14 27179 1 . GLU 15 15 27179 1 . ASN 16 16 27179 1 . LEU 17 17 27179 1 . TYR 18 18 27179 1 . PHE 19 19 27179 1 . GLN 20 20 27179 1 . GLY 21 21 27179 1 . SER 22 22 27179 1 . GLY 23 23 27179 1 . SER 24 24 27179 1 . ALA 25 25 27179 1 . ALA 26 26 27179 1 . ARG 27 27 27179 1 . LEU 28 28 27179 1 . SER 29 29 27179 1 . SER 30 30 27179 1 . GLN 31 31 27179 1 . LEU 32 32 27179 1 . ASP 33 33 27179 1 . PRO 34 34 27179 1 . ALA 35 35 27179 1 . ARG 36 36 27179 1 . ASP 37 37 27179 1 . VAL 38 38 27179 1 . LEU 39 39 27179 1 . SER 40 40 27179 1 . LEU 41 41 27179 1 . ARG 42 42 27179 1 . PRO 43 43 27179 1 . VAL 44 44 27179 1 . GLY 45 45 27179 1 . ALA 46 46 27179 1 . GLU 47 47 27179 1 . SER 48 48 27179 1 . ARG 49 49 27179 1 . GLY 50 50 27179 1 . ARG 51 51 27179 1 . PRO 52 52 27179 1 . PHE 53 53 27179 1 . SER 54 54 27179 1 . GLY 55 55 27179 1 . SER 56 56 27179 1 . LEU 57 57 27179 1 . GLY 58 58 27179 1 . THR 59 59 27179 1 . LEU 60 60 27179 1 . SER 61 61 27179 1 . SER 62 62 27179 1 . PRO 63 63 27179 1 . SER 64 64 27179 1 . PRO 65 65 27179 1 . SER 66 66 27179 1 . ALA 67 67 27179 1 . VAL 68 68 27179 1 . PRO 69 69 27179 1 . THR 70 70 27179 1 . ASP 71 71 27179 1 . HIS 72 72 27179 1 . GLY 73 73 27179 1 . ALA 74 74 27179 1 . HIS 75 75 27179 1 . LEU 76 76 27179 1 . SER 77 77 27179 1 . LEU 78 78 27179 1 . ARG 79 79 27179 1 . GLY 80 80 27179 1 . LEU 81 81 27179 1 . PRO 82 82 27179 1 . VAL 83 83 27179 1 . SER 84 84 27179 1 . ALA 85 85 27179 1 . PHE 86 86 27179 1 . SER 87 87 27179 1 . SER 88 88 27179 1 . ALA 89 89 27179 1 . GLY 90 90 27179 1 . PRO 91 91 27179 1 . SER 92 92 27179 1 . ALA 93 93 27179 1 . LEU 94 94 27179 1 . ARG 95 95 27179 1 . PHE 96 96 27179 1 . THR 97 97 27179 1 . SER 98 98 27179 1 . ALA 99 99 27179 1 . ARG 100 100 27179 1 . ARG 101 101 27179 1 . MET 102 102 27179 1 . GLU 103 103 27179 1 . THR 104 104 27179 1 . THR 105 105 27179 1 . VAL 106 106 27179 1 . ASN 107 107 27179 1 . ALA 108 108 27179 1 . HIS 109 109 27179 1 . GLN 110 110 27179 1 . ILE 111 111 27179 1 . LEU 112 112 27179 1 . PRO 113 113 27179 1 . LYS 114 114 27179 1 . VAL 115 115 27179 1 . LEU 116 116 27179 1 . HIS 117 117 27179 1 . LYS 118 118 27179 1 . ARG 119 119 27179 1 . THR 120 120 27179 1 . LEU 121 121 27179 1 . GLY 122 122 27179 1 . LEU 123 123 27179 1 . SER 124 124 27179 1 . ALA 125 125 27179 1 . MET 126 126 27179 1 . SER 127 127 27179 1 . THR 128 128 27179 1 . THR 129 129 27179 1 . ASP 130 130 27179 1 . LEU 131 131 27179 1 . GLU 132 132 27179 1 . ALA 133 133 27179 1 . TYR 134 134 27179 1 . PHE 135 135 27179 1 . LYS 136 136 27179 1 . ASP 137 137 27179 1 . SER 138 138 27179 1 . LEU 139 139 27179 1 . PHE 140 140 27179 1 . LYS 141 141 27179 1 . ASP 142 142 27179 1 . TRP 143 143 27179 1 . GLU 144 144 27179 1 . GLU 145 145 27179 1 . LEU 146 146 27179 1 . GLY 147 147 27179 1 . GLU 148 148 27179 1 . GLU 149 149 27179 1 . ILE 150 150 27179 1 . ARG 151 151 27179 1 . LEU 152 152 27179 1 . LYS 153 153 27179 1 . VAL 154 154 27179 1 . PHE 155 155 27179 1 . VAL 156 156 27179 1 . LEU 157 157 27179 1 . GLY 158 158 27179 1 . GLY 159 159 27179 1 . SER 160 160 27179 1 . ARG 161 161 27179 1 . HIS 162 162 27179 1 . LYS 163 163 27179 1 . LEU 164 164 27179 1 . VAL 165 165 27179 1 . SER 166 166 27179 1 . ALA 167 167 27179 1 . PRO 168 168 27179 1 . ALA 169 169 27179 1 . PRO 170 170 27179 1 . SER 171 171 27179 1 . ASN 172 172 27179 1 . PHE 173 173 27179 1 . PHE 174 174 27179 1 . THR 175 175 27179 1 . SER 176 176 27179 1 . ALA 177 177 27179 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 27179 _Entity_natural_src_list.ID 1 loop_ _Entity_natural_src.ID _Entity_natural_src.Entity_ID _Entity_natural_src.Entity_label _Entity_natural_src.Entity_chimera_segment_ID _Entity_natural_src.NCBI_taxonomy_ID _Entity_natural_src.Type _Entity_natural_src.Common _Entity_natural_src.Organism_name_scientific _Entity_natural_src.Organism_name_common _Entity_natural_src.Organism_acronym _Entity_natural_src.ICTVdb_decimal_code _Entity_natural_src.Superkingdom _Entity_natural_src.Kingdom _Entity_natural_src.Genus _Entity_natural_src.Species _Entity_natural_src.Strain _Entity_natural_src.Variant _Entity_natural_src.Organ _Entity_natural_src.Tissue _Entity_natural_src.Tissue_fraction _Entity_natural_src.Cell_line _Entity_natural_src.Cell_type _Entity_natural_src.ATCC_number _Entity_natural_src.Organelle _Entity_natural_src.Secretion _Entity_natural_src.Plasmid _Entity_natural_src.Gene_mnemonic _Entity_natural_src.Details _Entity_natural_src.Entry_ID _Entity_natural_src.Entity_natural_src_list_ID 1 1 $Hepatitis_B_virus_X_protein_(HBx) . 9606 organism . 'Homo sapiens' Human . . Eukaryota Metazoa Homo sapiens . . . . . . . . . . . . . 27179 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 27179 _Entity_experimental_src_list.ID 1 loop_ _Entity_experimental_src.ID _Entity_experimental_src.Entity_ID _Entity_experimental_src.Entity_label _Entity_experimental_src.Entity_chimera_segment_ID _Entity_experimental_src.Production_method _Entity_experimental_src.Host_org_scientific_name _Entity_experimental_src.Host_org_name_common _Entity_experimental_src.Host_org_details _Entity_experimental_src.Host_org_NCBI_taxonomy_ID _Entity_experimental_src.Host_org_genus _Entity_experimental_src.Host_org_species _Entity_experimental_src.Host_org_strain _Entity_experimental_src.Host_org_variant _Entity_experimental_src.Host_org_ATCC_number _Entity_experimental_src.Vector_type _Entity_experimental_src.PDBview_host_org_vector_name _Entity_experimental_src.PDBview_plasmid_name _Entity_experimental_src.Vector_name _Entity_experimental_src.Vector_details _Entity_experimental_src.Vendor_name _Entity_experimental_src.Details _Entity_experimental_src.Entry_ID _Entity_experimental_src.Entity_experimental_src_list_ID 1 1 $Hepatitis_B_virus_X_protein_(HBx) . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli . . . . . . 'pROX180-9CS N-ter' . . . 27179 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 27179 _Sample.ID 1 _Sample.Name . _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 'Hepatitis B virus X protein (HBx)' '[U-100% 13C; U-100% 15N]' . . 1 $Hepatitis_B_virus_X_protein_(HBx) . . 0.7 0.5 0.9 mM . . . . 27179 1 2 'sodium acetate' 'natural abundance' . . . . . . 20 . . mM . . . . 27179 1 3 EDTA 'natural abundance' . . . . . . 2 . . mM . . . . 27179 1 4 DHPC 'natural abundance' . . . . . . 100 . . mM . . . . 27179 1 5 Fos-Choline-12 'natural abundance' . . . . . . 2.8 . . mM . . . . 27179 1 6 'sodium chloride' 'natural abundance' . . . . . . 0 . . mM . . . . 27179 1 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 27179 _Sample_condition_list.ID 1 _Sample_condition_list.Name . _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID pH 4.0 . pH 27179 1 pressure 1 . atm 27179 1 temperature 310 . K 27179 1 stop_ save_ ############################ # Computer software used # ############################ save_NMRPipe _Software.Sf_category software _Software.Sf_framecode NMRPipe _Software.Entry_ID 27179 _Software.ID 1 _Software.Type . _Software.Name NMRPipe _Software.Version . _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax' . . 27179 1 stop_ loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID processing . 27179 1 stop_ save_ save_SPARKY _Software.Sf_category software _Software.Sf_framecode SPARKY _Software.Entry_ID 27179 _Software.ID 2 _Software.Type . _Software.Name SPARKY _Software.Version . _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID Goddard . . 27179 2 stop_ loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' . 27179 2 'peak picking' . 27179 2 stop_ save_ save_PIPP _Software.Sf_category software _Software.Sf_framecode PIPP _Software.Entry_ID 27179 _Software.ID 3 _Software.Type . _Software.Name PIPP _Software.Version . _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID Garrett . . 27179 3 stop_ loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID 'peak picking' . 27179 3 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 27179 _NMR_spectrometer.ID 1 _NMR_spectrometer.Name . _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 900 save_ save_spectrometer_2 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_2 _NMR_spectrometer.Entry_ID 27179 _NMR_spectrometer.ID 2 _NMR_spectrometer.Name . _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 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 27179 _NMR_spectrometer_list.ID 1 _NMR_spectrometer_list.Name . loop_ _NMR_spectrometer_view.ID _NMR_spectrometer_view.Name _NMR_spectrometer_view.Manufacturer _NMR_spectrometer_view.Model _NMR_spectrometer_view.Serial_number _NMR_spectrometer_view.Field_strength _NMR_spectrometer_view.Details _NMR_spectrometer_view.Citation_ID _NMR_spectrometer_view.Citation_label _NMR_spectrometer_view.Entry_ID _NMR_spectrometer_view.NMR_spectrometer_list_ID 1 spectrometer_1 Bruker Avance . 900 . . . 27179 1 2 spectrometer_2 Bruker Avance . 600 . . . 27179 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 27179 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NUS_flag _Experiment.Interleaved_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.Details _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 '2D 1H-15N HSQC' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . . 27179 1 2 '3D HNCO' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . . 27179 1 3 '3D HNCA' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . . 27179 1 4 '3D HN(CO)CA' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . . 27179 1 5 '3D HNCACB' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . . 27179 1 6 '3D CBCA(CO)NH' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . . 27179 1 7 '3D C(CO)NH' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . . 27179 1 8 '3D H(CCO)NH' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . . 27179 1 9 '4D (H)NNH)' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . . 27179 1 10 '2D 1H-15N HSQC' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . . 27179 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 27179 _Chem_shift_reference.ID 1 _Chem_shift_reference.Name . _Chem_shift_reference.Details . loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C 13 water protons . . . . ppm 4.689 internal indirect 0.251441530 . . . . . 27179 1 H 1 water protons . . . . ppm 4.689 internal direct 1 . . . . . 27179 1 N 15 water protons . . . . ppm 4.689 internal indirect 0.101329118 . . . . . 27179 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 27179 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Name . _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 1 '2D 1H-15N HSQC' . . . 27179 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_assembly_asym_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Ambiguity_set_ID _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 . 1 25 25 ALA H H 1 8.282 0.004 . 1 . 19 . . . 2 ALA HN . 27179 1 2 . 1 . 1 25 25 ALA HA H 1 4.298 0.000 . 1 . 1 . . . 2 ALA HA . 27179 1 3 . 1 . 1 25 25 ALA HB1 H 1 1.416 0.000 . 1 . 1 . . . 2 ALA HB1 . 27179 1 4 . 1 . 1 25 25 ALA HB2 H 1 1.416 0.000 . 1 . 1 . . . 2 ALA HB2 . 27179 1 5 . 1 . 1 25 25 ALA HB3 H 1 1.416 0.000 . 1 . 1 . . . 2 ALA HB3 . 27179 1 6 . 1 . 1 25 25 ALA C C 13 177.786 0.000 . 1 . 1 . . . 2 ALA C . 27179 1 7 . 1 . 1 25 25 ALA CA C 13 53.006 0.011 . 1 . 5 . . . 2 ALA CA . 27179 1 8 . 1 . 1 25 25 ALA CB C 13 19.066 0.047 . 1 . 3 . . . 2 ALA CB . 27179 1 9 . 1 . 1 25 25 ALA N N 15 125.503 0.020 . 1 . 19 . . . 2 ALA N . 27179 1 10 . 1 . 1 26 26 ALA H H 1 8.051 0.003 . 1 . 16 . . . 3 ALA HN . 27179 1 11 . 1 . 1 26 26 ALA HA H 1 4.264 0.000 . 1 . 1 . . . 3 ALA HA . 27179 1 12 . 1 . 1 26 26 ALA HB1 H 1 1.385 0.000 . 1 . 1 . . . 3 ALA HB1 . 27179 1 13 . 1 . 1 26 26 ALA HB2 H 1 1.385 0.000 . 1 . 1 . . . 3 ALA HB2 . 27179 1 14 . 1 . 1 26 26 ALA HB3 H 1 1.385 0.000 . 1 . 1 . . . 3 ALA HB3 . 27179 1 15 . 1 . 1 26 26 ALA C C 13 178.033 0.000 . 1 . 1 . . . 3 ALA C . 27179 1 16 . 1 . 1 26 26 ALA CA C 13 52.934 0.017 . 1 . 7 . . . 3 ALA CA . 27179 1 17 . 1 . 1 26 26 ALA CB C 13 19.067 0.044 . 1 . 4 . . . 3 ALA CB . 27179 1 18 . 1 . 1 26 26 ALA N N 15 122.290 0.017 . 1 . 16 . . . 3 ALA N . 27179 1 19 . 1 . 1 27 27 ARG H H 1 8.077 0.003 . 1 . 21 . . . 4 ARG HN . 27179 1 20 . 1 . 1 27 27 ARG HA H 1 4.323 0.000 . 1 . 1 . . . 4 ARG HA . 27179 1 21 . 1 . 1 27 27 ARG HB2 H 1 1.790 0.000 . 1 . 1 . . . 4 ARG HB2 . 27179 1 22 . 1 . 1 27 27 ARG HB3 H 1 1.873 0.000 . 1 . 1 . . . 4 ARG HB3 . 27179 1 23 . 1 . 1 27 27 ARG HG2 H 1 1.640 0.000 . 2 . 1 . . . 4 ARG HG2 . 27179 1 24 . 1 . 1 27 27 ARG HG3 H 1 1.640 0.000 . 2 . 1 . . . 4 ARG HG3 . 27179 1 25 . 1 . 1 27 27 ARG HD2 H 1 3.210 0.000 . 2 . 1 . . . 4 ARG HD2 . 27179 1 26 . 1 . 1 27 27 ARG HD3 H 1 3.210 0.000 . 2 . 1 . . . 4 ARG HD3 . 27179 1 27 . 1 . 1 27 27 ARG C C 13 176.641 0.000 . 1 . 1 . . . 4 ARG C . 27179 1 28 . 1 . 1 27 27 ARG CA C 13 56.371 0.026 . 1 . 7 . . . 4 ARG CA . 27179 1 29 . 1 . 1 27 27 ARG CB C 13 30.735 0.021 . 1 . 4 . . . 4 ARG CB . 27179 1 30 . 1 . 1 27 27 ARG CG C 13 27.265 0.000 . 1 . 1 . . . 4 ARG CG . 27179 1 31 . 1 . 1 27 27 ARG CD C 13 43.461 0.000 . 1 . 1 . . . 4 ARG CD . 27179 1 32 . 1 . 1 27 27 ARG N N 15 119.374 0.033 . 1 . 21 . . . 4 ARG N . 27179 1 33 . 1 . 1 28 28 LEU H H 1 8.170 0.003 . 1 . 24 . . . 5 LEU HN . 27179 1 34 . 1 . 1 28 28 LEU HA H 1 4.375 0.000 . 1 . 1 . . . 5 LEU HA . 27179 1 35 . 1 . 1 28 28 LEU HB2 H 1 1.664 0.000 . 2 . 1 . . . 5 LEU HB2 . 27179 1 36 . 1 . 1 28 28 LEU HB3 H 1 1.664 0.000 . 2 . 1 . . . 5 LEU HB3 . 27179 1 37 . 1 . 1 28 28 LEU HG H 1 1.664 0.000 . 1 . 1 . . . 5 LEU HG . 27179 1 38 . 1 . 1 28 28 LEU HD11 H 1 0.907 0.000 . 2 . 1 . . . 5 LEU HD11 . 27179 1 39 . 1 . 1 28 28 LEU HD12 H 1 0.907 0.000 . 2 . 1 . . . 5 LEU HD12 . 27179 1 40 . 1 . 1 28 28 LEU HD13 H 1 0.907 0.000 . 2 . 1 . . . 5 LEU HD13 . 27179 1 41 . 1 . 1 28 28 LEU HD21 H 1 0.907 0.000 . 2 . 1 . . . 5 LEU HD21 . 27179 1 42 . 1 . 1 28 28 LEU HD22 H 1 0.907 0.000 . 2 . 1 . . . 5 LEU HD22 . 27179 1 43 . 1 . 1 28 28 LEU HD23 H 1 0.907 0.000 . 2 . 1 . . . 5 LEU HD23 . 27179 1 44 . 1 . 1 28 28 LEU C C 13 177.690 0.000 . 1 . 1 . . . 5 LEU C . 27179 1 45 . 1 . 1 28 28 LEU CA C 13 55.596 0.037 . 1 . 7 . . . 5 LEU CA . 27179 1 46 . 1 . 1 28 28 LEU CB C 13 42.432 0.026 . 1 . 4 . . . 5 LEU CB . 27179 1 47 . 1 . 1 28 28 LEU CG C 13 27.125 0.000 . 1 . 1 . . . 5 LEU CG . 27179 1 48 . 1 . 1 28 28 LEU CD1 C 13 25.006 0.000 . 1 . 1 . . . 5 LEU CD1 . 27179 1 49 . 1 . 1 28 28 LEU CD2 C 13 23.561 0.000 . 1 . 1 . . . 5 LEU CD2 . 27179 1 50 . 1 . 1 28 28 LEU N N 15 122.473 0.030 . 1 . 24 . . . 5 LEU N . 27179 1 51 . 1 . 1 29 29 SER H H 1 8.227 0.003 . 1 . 24 . . . 6 SER HN . 27179 1 52 . 1 . 1 29 29 SER HA H 1 4.428 0.000 . 1 . 1 . . . 6 SER HA . 27179 1 53 . 1 . 1 29 29 SER HB2 H 1 3.877 0.000 . 1 . 1 . . . 6 SER HB2 . 27179 1 54 . 1 . 1 29 29 SER HB3 H 1 3.946 0.000 . 1 . 1 . . . 6 SER HB3 . 27179 1 55 . 1 . 1 29 29 SER C C 13 174.975 0.000 . 1 . 1 . . . 6 SER C . 27179 1 56 . 1 . 1 29 29 SER CA C 13 58.937 0.040 . 1 . 5 . . . 6 SER CA . 27179 1 57 . 1 . 1 29 29 SER CB C 13 63.795 0.063 . 1 . 3 . . . 6 SER CB . 27179 1 58 . 1 . 1 29 29 SER N N 15 115.641 0.024 . 1 . 24 . . . 6 SER N . 27179 1 59 . 1 . 1 30 30 SER H H 1 8.180 0.003 . 1 . 18 . . . 7 SER HN . 27179 1 60 . 1 . 1 30 30 SER HA H 1 4.456 0.000 . 1 . 1 . . . 7 SER HA . 27179 1 61 . 1 . 1 30 30 SER HB2 H 1 3.897 0.000 . 1 . 1 . . . 7 SER HB2 . 27179 1 62 . 1 . 1 30 30 SER HB3 H 1 3.935 0.000 . 1 . 1 . . . 7 SER HB3 . 27179 1 63 . 1 . 1 30 30 SER C C 13 174.692 0.000 . 1 . 1 . . . 7 SER C . 27179 1 64 . 1 . 1 30 30 SER CA C 13 58.886 0.023 . 1 . 7 . . . 7 SER CA . 27179 1 65 . 1 . 1 30 30 SER CB C 13 63.775 0.060 . 1 . 4 . . . 7 SER CB . 27179 1 66 . 1 . 1 30 30 SER N N 15 117.002 0.013 . 1 . 18 . . . 7 SER N . 27179 1 67 . 1 . 1 31 31 GLN H H 1 8.205 0.004 . 1 . 20 . . . 8 GLN HN . 27179 1 68 . 1 . 1 31 31 GLN HA H 1 4.343 0.000 . 1 . 1 . . . 8 GLN HA . 27179 1 69 . 1 . 1 31 31 GLN HB2 H 1 2.374 0.000 . 2 . 1 . . . 8 GLN HB2 . 27179 1 70 . 1 . 1 31 31 GLN HB3 H 1 2.374 0.000 . 2 . 1 . . . 8 GLN HB3 . 27179 1 71 . 1 . 1 31 31 GLN HG2 H 1 2.374 0.000 . 2 . 1 . . . 8 GLN HG2 . 27179 1 72 . 1 . 1 31 31 GLN HG3 H 1 2.374 0.000 . 2 . 1 . . . 8 GLN HG3 . 27179 1 73 . 1 . 1 31 31 GLN C C 13 175.770 0.000 . 1 . 1 . . . 8 GLN C . 27179 1 74 . 1 . 1 31 31 GLN CA C 13 56.149 0.021 . 1 . 7 . . . 8 GLN CA . 27179 1 75 . 1 . 1 31 31 GLN CB C 13 29.423 0.004 . 1 . 3 . . . 8 GLN CB . 27179 1 76 . 1 . 1 31 31 GLN CG C 13 33.969 0.000 . 1 . 1 . . . 8 GLN CG . 27179 1 77 . 1 . 1 31 31 GLN N N 15 121.217 0.026 . 1 . 20 . . . 8 GLN N . 27179 1 78 . 1 . 1 32 32 LEU H H 1 8.019 0.004 . 1 . 20 . . . 9 LEU HN . 27179 1 79 . 1 . 1 32 32 LEU HA H 1 3.935 0.000 . 1 . 1 . . . 9 LEU HA . 27179 1 80 . 1 . 1 32 32 LEU C C 13 176.534 0.000 . 1 . 1 . . . 9 LEU C . 27179 1 81 . 1 . 1 32 32 LEU CA C 13 55.129 0.004 . 1 . 5 . . . 9 LEU CA . 27179 1 82 . 1 . 1 32 32 LEU CB C 13 42.544 0.012 . 1 . 3 . . . 9 LEU CB . 27179 1 83 . 1 . 1 32 32 LEU N N 15 121.779 0.072 . 1 . 20 . . . 9 LEU N . 27179 1 84 . 1 . 1 33 33 ASP H H 1 8.223 0.003 . 1 . 11 . . . 10 ASP HN . 27179 1 85 . 1 . 1 33 33 ASP CA C 13 51.885 0.000 . 1 . 1 . . . 10 ASP CA . 27179 1 86 . 1 . 1 33 33 ASP CB C 13 40.323 0.000 . 1 . 1 . . . 10 ASP CB . 27179 1 87 . 1 . 1 33 33 ASP N N 15 121.030 0.106 . 1 . 11 . . . 10 ASP N . 27179 1 88 . 1 . 1 34 34 PRO HA H 1 4.395 0.000 . 1 . 1 . . . 11 PRO HA . 27179 1 89 . 1 . 1 34 34 PRO C C 13 177.060 0.000 . 1 . 1 . . . 11 PRO C . 27179 1 90 . 1 . 1 34 34 PRO CA C 13 63.972 0.021 . 1 . 5 . . . 11 PRO CA . 27179 1 91 . 1 . 1 34 34 PRO CB C 13 32.101 0.021 . 1 . 3 . . . 11 PRO CB . 27179 1 92 . 1 . 1 34 34 PRO CG C 13 27.144 0.000 . 1 . 1 . . . 11 PRO CG . 27179 1 93 . 1 . 1 34 34 PRO CD C 13 50.845 0.000 . 1 . 1 . . . 11 PRO CD . 27179 1 94 . 1 . 1 35 35 ALA H H 1 8.209 0.011 . 1 . 19 . . . 12 ALA HN . 27179 1 95 . 1 . 1 35 35 ALA HA H 1 4.278 0.000 . 1 . 1 . . . 12 ALA HA . 27179 1 96 . 1 . 1 35 35 ALA HB1 H 1 1.418 0.000 . 1 . 1 . . . 12 ALA HB1 . 27179 1 97 . 1 . 1 35 35 ALA HB2 H 1 1.418 0.000 . 1 . 1 . . . 12 ALA HB2 . 27179 1 98 . 1 . 1 35 35 ALA HB3 H 1 1.418 0.000 . 1 . 1 . . . 12 ALA HB3 . 27179 1 99 . 1 . 1 35 35 ALA C C 13 178.067 0.000 . 1 . 1 . . . 12 ALA C . 27179 1 100 . 1 . 1 35 35 ALA CA C 13 52.975 0.028 . 1 . 7 . . . 12 ALA CA . 27179 1 101 . 1 . 1 35 35 ALA CB C 13 18.964 0.027 . 1 . 4 . . . 12 ALA CB . 27179 1 102 . 1 . 1 35 35 ALA N N 15 121.682 0.037 . 1 . 19 . . . 12 ALA N . 27179 1 103 . 1 . 1 36 36 ARG H H 1 7.918 0.005 . 1 . 19 . . . 13 ARG HN . 27179 1 104 . 1 . 1 36 36 ARG HA H 1 4.270 0.000 . 1 . 1 . . . 13 ARG HA . 27179 1 105 . 1 . 1 36 36 ARG C C 13 176.339 0.000 . 1 . 1 . . . 13 ARG C . 27179 1 106 . 1 . 1 36 36 ARG CA C 13 56.512 0.042 . 1 . 6 . . . 13 ARG CA . 27179 1 107 . 1 . 1 36 36 ARG CB C 13 30.844 0.006 . 1 . 3 . . . 13 ARG CB . 27179 1 108 . 1 . 1 36 36 ARG N N 15 118.238 0.044 . 1 . 19 . . . 13 ARG N . 27179 1 109 . 1 . 1 37 37 ASP H H 1 8.228 0.003 . 1 . 15 . . . 14 ASP HN . 27179 1 110 . 1 . 1 37 37 ASP HA H 1 4.662 0.000 . 1 . 1 . . . 14 ASP HA . 27179 1 111 . 1 . 1 37 37 ASP HB2 H 1 2.692 0.000 . 1 . 1 . . . 14 ASP HB2 . 27179 1 112 . 1 . 1 37 37 ASP HB3 H 1 2.801 0.000 . 1 . 1 . . . 14 ASP HB3 . 27179 1 113 . 1 . 1 37 37 ASP C C 13 176.086 0.000 . 1 . 1 . . . 14 ASP C . 27179 1 114 . 1 . 1 37 37 ASP CA C 13 54.142 0.079 . 1 . 7 . . . 14 ASP CA . 27179 1 115 . 1 . 1 37 37 ASP CB C 13 39.867 0.005 . 1 . 3 . . . 14 ASP CB . 27179 1 116 . 1 . 1 37 37 ASP N N 15 119.894 0.098 . 1 . 15 . . . 14 ASP N . 27179 1 117 . 1 . 1 38 38 VAL H H 1 7.956 0.002 . 1 . 18 . . . 15 VAL HN . 27179 1 118 . 1 . 1 38 38 VAL HA H 1 4.082 0.000 . 1 . 1 . . . 15 VAL HA . 27179 1 119 . 1 . 1 38 38 VAL HB H 1 2.155 0.000 . 1 . 1 . . . 15 VAL HB . 27179 1 120 . 1 . 1 38 38 VAL HG11 H 1 0.963 0.000 . 2 . 1 . . . 15 VAL HG11 . 27179 1 121 . 1 . 1 38 38 VAL HG12 H 1 0.963 0.000 . 2 . 1 . . . 15 VAL HG12 . 27179 1 122 . 1 . 1 38 38 VAL HG13 H 1 0.963 0.000 . 2 . 1 . . . 15 VAL HG13 . 27179 1 123 . 1 . 1 38 38 VAL HG21 H 1 0.963 0.000 . 2 . 1 . . . 15 VAL HG21 . 27179 1 124 . 1 . 1 38 38 VAL HG22 H 1 0.963 0.000 . 2 . 1 . . . 15 VAL HG22 . 27179 1 125 . 1 . 1 38 38 VAL HG23 H 1 0.963 0.000 . 2 . 1 . . . 15 VAL HG23 . 27179 1 126 . 1 . 1 38 38 VAL C C 13 176.324 0.000 . 1 . 1 . . . 15 VAL C . 27179 1 127 . 1 . 1 38 38 VAL CA C 13 63.049 0.038 . 1 . 7 . . . 15 VAL CA . 27179 1 128 . 1 . 1 38 38 VAL CB C 13 32.409 0.003 . 1 . 3 . . . 15 VAL CB . 27179 1 129 . 1 . 1 38 38 VAL CG1 C 13 21.288 0.000 . 1 . 1 . . . 15 VAL CG1 . 27179 1 130 . 1 . 1 38 38 VAL CG2 C 13 20.572 0.000 . 1 . 1 . . . 15 VAL CG2 . 27179 1 131 . 1 . 1 38 38 VAL N N 15 119.430 0.025 . 1 . 18 . . . 15 VAL N . 27179 1 132 . 1 . 1 39 39 LEU H H 1 8.123 0.003 . 1 . 19 . . . 16 LEU HN . 27179 1 133 . 1 . 1 39 39 LEU HA H 1 4.337 0.000 . 1 . 1 . . . 16 LEU HA . 27179 1 134 . 1 . 1 39 39 LEU HB2 H 1 1.728 0.000 . 2 . 1 . . . 16 LEU HB2 . 27179 1 135 . 1 . 1 39 39 LEU HB3 H 1 1.728 0.000 . 2 . 1 . . . 16 LEU HB3 . 27179 1 136 . 1 . 1 39 39 LEU HG H 1 1.614 0.000 . 1 . 1 . . . 16 LEU HG . 27179 1 137 . 1 . 1 39 39 LEU HD11 H 1 0.926 0.000 . 2 . 1 . . . 16 LEU HD11 . 27179 1 138 . 1 . 1 39 39 LEU HD12 H 1 0.926 0.000 . 2 . 1 . . . 16 LEU HD12 . 27179 1 139 . 1 . 1 39 39 LEU HD13 H 1 0.926 0.000 . 2 . 1 . . . 16 LEU HD13 . 27179 1 140 . 1 . 1 39 39 LEU HD21 H 1 0.926 0.000 . 2 . 1 . . . 16 LEU HD21 . 27179 1 141 . 1 . 1 39 39 LEU HD22 H 1 0.926 0.000 . 2 . 1 . . . 16 LEU HD22 . 27179 1 142 . 1 . 1 39 39 LEU HD23 H 1 0.926 0.000 . 2 . 1 . . . 16 LEU HD23 . 27179 1 143 . 1 . 1 39 39 LEU C C 13 177.400 0.000 . 1 . 1 . . . 16 LEU C . 27179 1 144 . 1 . 1 39 39 LEU CA C 13 55.653 0.074 . 1 . 7 . . . 16 LEU CA . 27179 1 145 . 1 . 1 39 39 LEU CB C 13 42.117 0.011 . 1 . 4 . . . 16 LEU CB . 27179 1 146 . 1 . 1 39 39 LEU CG C 13 27.160 0.000 . 1 . 1 . . . 16 LEU CG . 27179 1 147 . 1 . 1 39 39 LEU CD1 C 13 25.049 0.000 . 1 . 1 . . . 16 LEU CD1 . 27179 1 148 . 1 . 1 39 39 LEU CD2 C 13 23.485 0.000 . 1 . 1 . . . 16 LEU CD2 . 27179 1 149 . 1 . 1 39 39 LEU N N 15 123.249 0.054 . 1 . 19 . . . 16 LEU N . 27179 1 150 . 1 . 1 40 40 SER H H 1 8.014 0.004 . 1 . 24 . . . 17 SER HN . 27179 1 151 . 1 . 1 40 40 SER HA H 1 4.426 0.000 . 1 . 1 . . . 17 SER HA . 27179 1 152 . 1 . 1 40 40 SER HB2 H 1 3.879 0.000 . 2 . 1 . . . 17 SER HB2 . 27179 1 153 . 1 . 1 40 40 SER HB3 H 1 3.879 0.000 . 2 . 1 . . . 17 SER HB3 . 27179 1 154 . 1 . 1 40 40 SER C C 13 174.313 0.000 . 1 . 1 . . . 17 SER C . 27179 1 155 . 1 . 1 40 40 SER CA C 13 58.468 0.023 . 1 . 7 . . . 17 SER CA . 27179 1 156 . 1 . 1 40 40 SER CB C 13 63.784 0.035 . 1 . 4 . . . 17 SER CB . 27179 1 157 . 1 . 1 40 40 SER N N 15 115.257 0.029 . 1 . 24 . . . 17 SER N . 27179 1 158 . 1 . 1 41 41 LEU H H 1 8.014 0.005 . 1 . 17 . . . 18 LEU HN . 27179 1 159 . 1 . 1 41 41 LEU HA H 1 4.369 0.000 . 1 . 1 . . . 18 LEU HA . 27179 1 160 . 1 . 1 41 41 LEU HB2 H 1 1.666 0.000 . 2 . 1 . . . 18 LEU HB2 . 27179 1 161 . 1 . 1 41 41 LEU HB3 H 1 1.666 0.000 . 2 . 1 . . . 18 LEU HB3 . 27179 1 162 . 1 . 1 41 41 LEU HG H 1 1.610 0.000 . 1 . 1 . . . 18 LEU HG . 27179 1 163 . 1 . 1 41 41 LEU HD11 H 1 0.898 0.000 . 2 . 1 . . . 18 LEU HD11 . 27179 1 164 . 1 . 1 41 41 LEU HD12 H 1 0.898 0.000 . 2 . 1 . . . 18 LEU HD12 . 27179 1 165 . 1 . 1 41 41 LEU HD13 H 1 0.898 0.000 . 2 . 1 . . . 18 LEU HD13 . 27179 1 166 . 1 . 1 41 41 LEU HD21 H 1 0.898 0.000 . 2 . 1 . . . 18 LEU HD21 . 27179 1 167 . 1 . 1 41 41 LEU HD22 H 1 0.898 0.000 . 2 . 1 . . . 18 LEU HD22 . 27179 1 168 . 1 . 1 41 41 LEU HD23 H 1 0.898 0.000 . 2 . 1 . . . 18 LEU HD23 . 27179 1 169 . 1 . 1 41 41 LEU C C 13 176.849 0.000 . 1 . 1 . . . 18 LEU C . 27179 1 170 . 1 . 1 41 41 LEU CA C 13 55.154 0.068 . 1 . 7 . . . 18 LEU CA . 27179 1 171 . 1 . 1 41 41 LEU CB C 13 42.438 0.015 . 1 . 4 . . . 18 LEU CB . 27179 1 172 . 1 . 1 41 41 LEU CG C 13 27.019 0.000 . 1 . 1 . . . 18 LEU CG . 27179 1 173 . 1 . 1 41 41 LEU CD1 C 13 25.129 0.000 . 1 . 1 . . . 18 LEU CD1 . 27179 1 174 . 1 . 1 41 41 LEU CD2 C 13 23.476 0.000 . 1 . 1 . . . 18 LEU CD2 . 27179 1 175 . 1 . 1 41 41 LEU N N 15 123.165 0.029 . 1 . 17 . . . 18 LEU N . 27179 1 176 . 1 . 1 42 42 ARG H H 1 8.083 0.004 . 1 . 23 . . . 19 ARG HN . 27179 1 177 . 1 . 1 42 42 ARG CA C 13 53.933 0.013 . 1 . 2 . . . 19 ARG CA . 27179 1 178 . 1 . 1 42 42 ARG CB C 13 30.395 0.000 . 1 . 1 . . . 19 ARG CB . 27179 1 179 . 1 . 1 42 42 ARG N N 15 121.874 0.018 . 1 . 23 . . . 19 ARG N . 27179 1 180 . 1 . 1 43 43 PRO HA H 1 4.495 0.000 . 1 . 1 . . . 20 PRO HA . 27179 1 181 . 1 . 1 43 43 PRO HB2 H 1 2.281 0.000 . 2 . 1 . . . 20 PRO HB2 . 27179 1 182 . 1 . 1 43 43 PRO HB3 H 1 2.281 0.000 . 2 . 1 . . . 20 PRO HB3 . 27179 1 183 . 1 . 1 43 43 PRO HG2 H 1 2.024 0.000 . 1 . 1 . . . 20 PRO HG2 . 27179 1 184 . 1 . 1 43 43 PRO HG3 H 1 2.024 0.000 . 1 . 1 . . . 20 PRO HG3 . 27179 1 185 . 1 . 1 43 43 PRO HD2 H 1 3.629 0.000 . 2 . 1 . . . 20 PRO HD2 . 27179 1 186 . 1 . 1 43 43 PRO HD3 H 1 3.629 0.000 . 2 . 1 . . . 20 PRO HD3 . 27179 1 187 . 1 . 1 43 43 PRO C C 13 176.965 0.000 . 1 . 1 . . . 20 PRO C . 27179 1 188 . 1 . 1 43 43 PRO CA C 13 63.076 0.039 . 1 . 4 . . . 20 PRO CA . 27179 1 189 . 1 . 1 43 43 PRO CB C 13 31.982 0.013 . 1 . 3 . . . 20 PRO CB . 27179 1 190 . 1 . 1 43 43 PRO CG C 13 27.334 0.000 . 1 . 1 . . . 20 PRO CG . 27179 1 191 . 1 . 1 43 43 PRO CD C 13 50.663 0.000 . 1 . 1 . . . 20 PRO CD . 27179 1 192 . 1 . 1 44 44 VAL H H 1 8.208 0.003 . 1 . 19 . . . 21 VAL HN . 27179 1 193 . 1 . 1 44 44 VAL HA H 1 4.117 0.000 . 1 . 1 . . . 21 VAL HA . 27179 1 194 . 1 . 1 44 44 VAL HB H 1 2.095 0.000 . 1 . 1 . . . 21 VAL HB . 27179 1 195 . 1 . 1 44 44 VAL HG11 H 1 0.982 0.000 . 2 . 1 . . . 21 VAL HG11 . 27179 1 196 . 1 . 1 44 44 VAL HG12 H 1 0.982 0.000 . 2 . 1 . . . 21 VAL HG12 . 27179 1 197 . 1 . 1 44 44 VAL HG13 H 1 0.982 0.000 . 2 . 1 . . . 21 VAL HG13 . 27179 1 198 . 1 . 1 44 44 VAL HG21 H 1 0.982 0.000 . 2 . 1 . . . 21 VAL HG21 . 27179 1 199 . 1 . 1 44 44 VAL HG22 H 1 0.982 0.000 . 2 . 1 . . . 21 VAL HG22 . 27179 1 200 . 1 . 1 44 44 VAL HG23 H 1 0.982 0.000 . 2 . 1 . . . 21 VAL HG23 . 27179 1 201 . 1 . 1 44 44 VAL C C 13 176.875 0.000 . 1 . 1 . . . 21 VAL C . 27179 1 202 . 1 . 1 44 44 VAL CA C 13 62.596 0.030 . 1 . 7 . . . 21 VAL CA . 27179 1 203 . 1 . 1 44 44 VAL CB C 13 32.807 0.015 . 1 . 4 . . . 21 VAL CB . 27179 1 204 . 1 . 1 44 44 VAL CG1 C 13 21.154 0.000 . 1 . 1 . . . 21 VAL CG1 . 27179 1 205 . 1 . 1 44 44 VAL CG2 C 13 20.581 0.000 . 1 . 1 . . . 21 VAL CG2 . 27179 1 206 . 1 . 1 44 44 VAL N N 15 120.219 0.025 . 1 . 19 . . . 21 VAL N . 27179 1 207 . 1 . 1 45 45 GLY H H 1 8.446 0.005 . 1 . 21 . . . 22 GLY HN . 27179 1 208 . 1 . 1 45 45 GLY HA2 H 1 3.986 0.000 . 2 . 1 . . . 22 GLY HA1 . 27179 1 209 . 1 . 1 45 45 GLY HA3 H 1 3.986 0.000 . 2 . 1 . . . 22 GLY HA2 . 27179 1 210 . 1 . 1 45 45 GLY C C 13 174.163 0.000 . 1 . 1 . . . 22 GLY C . 27179 1 211 . 1 . 1 45 45 GLY CA C 13 45.340 0.012 . 1 . 7 . . . 22 GLY CA . 27179 1 212 . 1 . 1 45 45 GLY N N 15 112.233 0.036 . 1 . 21 . . . 22 GLY N . 27179 1 213 . 1 . 1 46 46 ALA H H 1 8.174 0.003 . 1 . 15 . . . 23 ALA HN . 27179 1 214 . 1 . 1 46 46 ALA HA H 1 4.307 0.000 . 1 . 1 . . . 23 ALA HA . 27179 1 215 . 1 . 1 46 46 ALA HB1 H 1 1.407 0.000 . 1 . 1 . . . 23 ALA HB1 . 27179 1 216 . 1 . 1 46 46 ALA HB2 H 1 1.407 0.000 . 1 . 1 . . . 23 ALA HB2 . 27179 1 217 . 1 . 1 46 46 ALA HB3 H 1 1.407 0.000 . 1 . 1 . . . 23 ALA HB3 . 27179 1 218 . 1 . 1 46 46 ALA C C 13 178.043 0.000 . 1 . 1 . . . 23 ALA C . 27179 1 219 . 1 . 1 46 46 ALA CA C 13 52.838 0.018 . 1 . 4 . . . 23 ALA CA . 27179 1 220 . 1 . 1 46 46 ALA CB C 13 19.338 0.002 . 1 . 3 . . . 23 ALA CB . 27179 1 221 . 1 . 1 46 46 ALA N N 15 123.762 0.023 . 1 . 15 . . . 23 ALA N . 27179 1 222 . 1 . 1 47 47 GLU H H 1 8.441 0.017 . 1 . 14 . . . 24 GLU HN . 27179 1 223 . 1 . 1 47 47 GLU HA H 1 4.326 0.000 . 1 . 1 . . . 24 GLU HA . 27179 1 224 . 1 . 1 47 47 GLU HB2 H 1 2.364 0.000 . 2 . 1 . . . 24 GLU HB2 . 27179 1 225 . 1 . 1 47 47 GLU HB3 H 1 2.364 0.000 . 2 . 1 . . . 24 GLU HB3 . 27179 1 226 . 1 . 1 47 47 GLU HG2 H 1 2.364 0.000 . 2 . 1 . . . 24 GLU HG2 . 27179 1 227 . 1 . 1 47 47 GLU HG3 H 1 2.364 0.000 . 2 . 1 . . . 24 GLU HG3 . 27179 1 228 . 1 . 1 47 47 GLU C C 13 176.493 0.000 . 1 . 1 . . . 24 GLU C . 27179 1 229 . 1 . 1 47 47 GLU CA C 13 56.490 0.054 . 1 . 5 . . . 24 GLU CA . 27179 1 230 . 1 . 1 47 47 GLU CB C 13 29.378 0.096 . 1 . 4 . . . 24 GLU CB . 27179 1 231 . 1 . 1 47 47 GLU CG C 13 35.105 0.000 . 1 . 1 . . . 24 GLU CG . 27179 1 232 . 1 . 1 47 47 GLU N N 15 119.074 0.062 . 1 . 14 . . . 24 GLU N . 27179 1 233 . 1 . 1 48 48 SER H H 1 8.221 0.003 . 1 . 20 . . . 25 SER HN . 27179 1 234 . 1 . 1 48 48 SER HA H 1 4.445 0.000 . 1 . 1 . . . 25 SER HA . 27179 1 235 . 1 . 1 48 48 SER HB2 H 1 3.882 0.000 . 2 . 1 . . . 25 SER HB2 . 27179 1 236 . 1 . 1 48 48 SER HB3 H 1 3.882 0.000 . 2 . 1 . . . 25 SER HB3 . 27179 1 237 . 1 . 1 48 48 SER C C 13 174.671 0.000 . 1 . 1 . . . 25 SER C . 27179 1 238 . 1 . 1 48 48 SER CA C 13 58.492 0.021 . 1 . 7 . . . 25 SER CA . 27179 1 239 . 1 . 1 48 48 SER CB C 13 63.842 0.034 . 1 . 4 . . . 25 SER CB . 27179 1 240 . 1 . 1 48 48 SER N N 15 116.438 0.016 . 1 . 20 . . . 25 SER N . 27179 1 241 . 1 . 1 49 49 ARG H H 1 8.264 0.006 . 1 . 19 . . . 26 ARG HN . 27179 1 242 . 1 . 1 49 49 ARG HA H 1 4.369 0.000 . 1 . 1 . . . 26 ARG HA . 27179 1 243 . 1 . 1 49 49 ARG HB2 H 1 1.803 0.000 . 1 . 1 . . . 26 ARG HB2 . 27179 1 244 . 1 . 1 49 49 ARG HB3 H 1 1.920 0.000 . 1 . 1 . . . 26 ARG HB3 . 27179 1 245 . 1 . 1 49 49 ARG HG2 H 1 1.662 0.000 . 2 . 1 . . . 26 ARG HG2 . 27179 1 246 . 1 . 1 49 49 ARG HG3 H 1 1.662 0.000 . 2 . 1 . . . 26 ARG HG3 . 27179 1 247 . 1 . 1 49 49 ARG HD2 H 1 3.213 0.000 . 2 . 1 . . . 26 ARG HD2 . 27179 1 248 . 1 . 1 49 49 ARG HD3 H 1 3.213 0.000 . 2 . 1 . . . 26 ARG HD3 . 27179 1 249 . 1 . 1 49 49 ARG C C 13 176.684 0.000 . 1 . 1 . . . 26 ARG C . 27179 1 250 . 1 . 1 49 49 ARG CA C 13 56.342 0.032 . 1 . 7 . . . 26 ARG CA . 27179 1 251 . 1 . 1 49 49 ARG CB C 13 30.723 0.014 . 1 . 4 . . . 26 ARG CB . 27179 1 252 . 1 . 1 49 49 ARG CG C 13 27.246 0.000 . 1 . 1 . . . 26 ARG CG . 27179 1 253 . 1 . 1 49 49 ARG CD C 13 43.467 0.000 . 1 . 1 . . . 26 ARG CD . 27179 1 254 . 1 . 1 49 49 ARG N N 15 122.524 0.019 . 1 . 19 . . . 26 ARG N . 27179 1 255 . 1 . 1 50 50 GLY H H 1 8.327 0.003 . 1 . 23 . . . 27 GLY HN . 27179 1 256 . 1 . 1 50 50 GLY HA2 H 1 3.957 0.000 . 2 . 1 . . . 27 GLY HA1 . 27179 1 257 . 1 . 1 50 50 GLY HA3 H 1 3.957 0.000 . 2 . 1 . . . 27 GLY HA2 . 27179 1 258 . 1 . 1 50 50 GLY C C 13 173.646 0.000 . 1 . 1 . . . 27 GLY C . 27179 1 259 . 1 . 1 50 50 GLY CA C 13 45.192 0.020 . 1 . 7 . . . 27 GLY CA . 27179 1 260 . 1 . 1 50 50 GLY N N 15 109.220 0.022 . 1 . 23 . . . 27 GLY N . 27179 1 261 . 1 . 1 51 51 ARG H H 1 8.084 0.008 . 1 . 14 . . . 28 ARG HN . 27179 1 262 . 1 . 1 51 51 ARG CA C 13 53.957 0.027 . 1 . 2 . . . 28 ARG CA . 27179 1 263 . 1 . 1 51 51 ARG CB C 13 30.324 0.000 . 1 . 1 . . . 28 ARG CB . 27179 1 264 . 1 . 1 51 51 ARG N N 15 121.189 0.029 . 1 . 14 . . . 28 ARG N . 27179 1 265 . 1 . 1 52 52 PRO HA H 1 4.419 0.000 . 1 . 1 . . . 29 PRO HA . 27179 1 266 . 1 . 1 52 52 PRO HB2 H 1 2.228 0.000 . 2 . 1 . . . 29 PRO HB2 . 27179 1 267 . 1 . 1 52 52 PRO HB3 H 1 2.228 0.000 . 2 . 1 . . . 29 PRO HB3 . 27179 1 268 . 1 . 1 52 52 PRO HG2 H 1 1.899 0.080 . 2 . 2 . . . 29 PRO HG2 . 27179 1 269 . 1 . 1 52 52 PRO HG3 H 1 1.899 0.080 . 2 . 2 . . . 29 PRO HG3 . 27179 1 270 . 1 . 1 52 52 PRO HD2 H 1 3.616 0.000 . 2 . 1 . . . 29 PRO HD2 . 27179 1 271 . 1 . 1 52 52 PRO HD3 H 1 3.616 0.000 . 2 . 1 . . . 29 PRO HD3 . 27179 1 272 . 1 . 1 52 52 PRO C C 13 176.586 0.000 . 1 . 1 . . . 29 PRO C . 27179 1 273 . 1 . 1 52 52 PRO CA C 13 63.280 0.043 . 1 . 5 . . . 29 PRO CA . 27179 1 274 . 1 . 1 52 52 PRO CB C 13 31.967 0.013 . 1 . 3 . . . 29 PRO CB . 27179 1 275 . 1 . 1 52 52 PRO CG C 13 27.434 0.000 . 1 . 1 . . . 29 PRO CG . 27179 1 276 . 1 . 1 52 52 PRO CD C 13 50.638 0.000 . 1 . 1 . . . 29 PRO CD . 27179 1 277 . 1 . 1 53 53 PHE H H 1 8.296 0.004 . 1 . 21 . . . 30 PHE HN . 27179 1 278 . 1 . 1 53 53 PHE HA H 1 4.629 0.000 . 1 . 1 . . . 30 PHE HA . 27179 1 279 . 1 . 1 53 53 PHE HB2 H 1 3.142 0.000 . 2 . 1 . . . 30 PHE HB2 . 27179 1 280 . 1 . 1 53 53 PHE HB3 H 1 3.142 0.000 . 2 . 1 . . . 30 PHE HB3 . 27179 1 281 . 1 . 1 53 53 PHE C C 13 175.859 0.000 . 1 . 1 . . . 30 PHE C . 27179 1 282 . 1 . 1 53 53 PHE CA C 13 57.914 0.041 . 1 . 7 . . . 30 PHE CA . 27179 1 283 . 1 . 1 53 53 PHE CB C 13 39.467 0.019 . 1 . 4 . . . 30 PHE CB . 27179 1 284 . 1 . 1 53 53 PHE N N 15 119.965 0.023 . 1 . 23 . . . 30 PHE N . 27179 1 285 . 1 . 1 54 54 SER H H 1 8.177 0.003 . 1 . 19 . . . 31 SER HN . 27179 1 286 . 1 . 1 54 54 SER HA H 1 4.415 0.000 . 1 . 1 . . . 31 SER HA . 27179 1 287 . 1 . 1 54 54 SER HB2 H 1 3.845 0.000 . 2 . 1 . . . 31 SER HB2 . 27179 1 288 . 1 . 1 54 54 SER HB3 H 1 3.845 0.000 . 2 . 1 . . . 31 SER HB3 . 27179 1 289 . 1 . 1 54 54 SER C C 13 174.724 0.000 . 1 . 1 . . . 31 SER C . 27179 1 290 . 1 . 1 54 54 SER CA C 13 58.370 0.028 . 1 . 7 . . . 31 SER CA . 27179 1 291 . 1 . 1 54 54 SER CB C 13 64.008 0.034 . 1 . 4 . . . 31 SER CB . 27179 1 292 . 1 . 1 54 54 SER N N 15 117.520 0.021 . 1 . 19 . . . 31 SER N . 27179 1 293 . 1 . 1 55 55 GLY H H 1 7.829 0.002 . 1 . 18 . . . 32 GLY HN . 27179 1 294 . 1 . 1 55 55 GLY HA2 H 1 3.960 0.000 . 2 . 1 . . . 32 GLY HA1 . 27179 1 295 . 1 . 1 55 55 GLY HA3 H 1 3.960 0.000 . 2 . 1 . . . 32 GLY HA2 . 27179 1 296 . 1 . 1 55 55 GLY C C 13 174.039 0.000 . 1 . 1 . . . 32 GLY C . 27179 1 297 . 1 . 1 55 55 GLY CA C 13 45.457 0.017 . 1 . 7 . . . 32 GLY CA . 27179 1 298 . 1 . 1 55 55 GLY N N 15 110.117 0.017 . 1 . 18 . . . 32 GLY N . 27179 1 299 . 1 . 1 56 56 SER H H 1 8.159 0.002 . 1 . 15 . . . 33 SER HN . 27179 1 300 . 1 . 1 56 56 SER HA H 1 4.502 0.000 . 1 . 1 . . . 33 SER HA . 27179 1 301 . 1 . 1 56 56 SER HB2 H 1 3.874 0.000 . 2 . 1 . . . 33 SER HB2 . 27179 1 302 . 1 . 1 56 56 SER HB3 H 1 3.874 0.000 . 2 . 1 . . . 33 SER HB3 . 27179 1 303 . 1 . 1 56 56 SER C C 13 174.733 0.000 . 1 . 1 . . . 33 SER C . 27179 1 304 . 1 . 1 56 56 SER CA C 13 58.410 0.019 . 1 . 7 . . . 33 SER CA . 27179 1 305 . 1 . 1 56 56 SER CB C 13 64.021 0.027 . 1 . 4 . . . 33 SER CB . 27179 1 306 . 1 . 1 56 56 SER N N 15 115.413 0.016 . 1 . 15 . . . 33 SER N . 27179 1 307 . 1 . 1 57 57 LEU H H 1 8.317 0.003 . 1 . 19 . . . 34 LEU HN . 27179 1 308 . 1 . 1 57 57 LEU HA H 1 4.385 0.000 . 1 . 1 . . . 34 LEU HA . 27179 1 309 . 1 . 1 57 57 LEU HB2 H 1 1.679 0.000 . 2 . 1 . . . 34 LEU HB2 . 27179 1 310 . 1 . 1 57 57 LEU HB3 H 1 1.679 0.000 . 2 . 1 . . . 34 LEU HB3 . 27179 1 311 . 1 . 1 57 57 LEU HG H 1 1.679 0.000 . 1 . 1 . . . 34 LEU HG . 27179 1 312 . 1 . 1 57 57 LEU HD11 H 1 0.929 0.000 . 2 . 1 . . . 34 LEU HD11 . 27179 1 313 . 1 . 1 57 57 LEU HD12 H 1 0.929 0.000 . 2 . 1 . . . 34 LEU HD12 . 27179 1 314 . 1 . 1 57 57 LEU HD13 H 1 0.929 0.000 . 2 . 1 . . . 34 LEU HD13 . 27179 1 315 . 1 . 1 57 57 LEU HD21 H 1 0.929 0.000 . 2 . 1 . . . 34 LEU HD21 . 27179 1 316 . 1 . 1 57 57 LEU HD22 H 1 0.929 0.000 . 2 . 1 . . . 34 LEU HD22 . 27179 1 317 . 1 . 1 57 57 LEU HD23 H 1 0.929 0.000 . 2 . 1 . . . 34 LEU HD23 . 27179 1 318 . 1 . 1 57 57 LEU C C 13 177.841 0.000 . 1 . 1 . . . 34 LEU C . 27179 1 319 . 1 . 1 57 57 LEU CA C 13 55.594 0.055 . 1 . 7 . . . 34 LEU CA . 27179 1 320 . 1 . 1 57 57 LEU CB C 13 42.404 0.022 . 1 . 4 . . . 34 LEU CB . 27179 1 321 . 1 . 1 57 57 LEU CG C 13 27.100 0.000 . 1 . 1 . . . 34 LEU CG . 27179 1 322 . 1 . 1 57 57 LEU CD1 C 13 23.594 0.000 . 1 . 1 . . . 34 LEU CD1 . 27179 1 323 . 1 . 1 57 57 LEU CD2 C 13 25.038 0.000 . 1 . 1 . . . 34 LEU CD2 . 27179 1 324 . 1 . 1 57 57 LEU N N 15 123.651 0.023 . 1 . 19 . . . 34 LEU N . 27179 1 325 . 1 . 1 58 58 GLY H H 1 8.312 0.003 . 1 . 23 . . . 35 GLY HN . 27179 1 326 . 1 . 1 58 58 GLY HA2 H 1 3.988 0.000 . 2 . 1 . . . 35 GLY HA1 . 27179 1 327 . 1 . 1 58 58 GLY HA3 H 1 3.988 0.000 . 2 . 1 . . . 35 GLY HA2 . 27179 1 328 . 1 . 1 58 58 GLY C C 13 174.387 0.000 . 1 . 1 . . . 35 GLY C . 27179 1 329 . 1 . 1 58 58 GLY CA C 13 45.552 0.022 . 1 . 7 . . . 35 GLY CA . 27179 1 330 . 1 . 1 58 58 GLY N N 15 108.732 0.020 . 1 . 23 . . . 35 GLY N . 27179 1 331 . 1 . 1 59 59 THR H H 1 7.956 0.002 . 1 . 15 . . . 36 THR HN . 27179 1 332 . 1 . 1 59 59 THR HA H 1 4.247 0.000 . 1 . 1 . . . 36 THR HA . 27179 1 333 . 1 . 1 59 59 THR HB H 1 4.247 0.000 . 1 . 1 . . . 36 THR HB . 27179 1 334 . 1 . 1 59 59 THR C C 13 174.709 0.000 . 1 . 1 . . . 36 THR C . 27179 1 335 . 1 . 1 59 59 THR CA C 13 61.914 0.088 . 1 . 7 . . . 36 THR CA . 27179 1 336 . 1 . 1 59 59 THR CB C 13 69.853 0.013 . 1 . 4 . . . 36 THR CB . 27179 1 337 . 1 . 1 59 59 THR N N 15 113.502 0.019 . 1 . 15 . . . 36 THR N . 27179 1 338 . 1 . 1 60 60 LEU H H 1 8.212 0.003 . 1 . 19 . . . 37 LEU HN . 27179 1 339 . 1 . 1 60 60 LEU HA H 1 4.421 0.000 . 1 . 1 . . . 37 LEU HA . 27179 1 340 . 1 . 1 60 60 LEU HB2 H 1 1.672 0.000 . 2 . 1 . . . 37 LEU HB2 . 27179 1 341 . 1 . 1 60 60 LEU HB3 H 1 1.672 0.000 . 2 . 1 . . . 37 LEU HB3 . 27179 1 342 . 1 . 1 60 60 LEU HG H 1 1.672 0.000 . 1 . 1 . . . 37 LEU HG . 27179 1 343 . 1 . 1 60 60 LEU HD11 H 1 0.921 0.000 . 2 . 1 . . . 37 LEU HD11 . 27179 1 344 . 1 . 1 60 60 LEU HD12 H 1 0.921 0.000 . 2 . 1 . . . 37 LEU HD12 . 27179 1 345 . 1 . 1 60 60 LEU HD13 H 1 0.921 0.000 . 2 . 1 . . . 37 LEU HD13 . 27179 1 346 . 1 . 1 60 60 LEU HD21 H 1 0.921 0.000 . 2 . 1 . . . 37 LEU HD21 . 27179 1 347 . 1 . 1 60 60 LEU HD22 H 1 0.921 0.000 . 2 . 1 . . . 37 LEU HD22 . 27179 1 348 . 1 . 1 60 60 LEU HD23 H 1 0.921 0.000 . 2 . 1 . . . 37 LEU HD23 . 27179 1 349 . 1 . 1 60 60 LEU C C 13 177.207 0.000 . 1 . 1 . . . 37 LEU C . 27179 1 350 . 1 . 1 60 60 LEU CA C 13 55.394 0.049 . 1 . 7 . . . 37 LEU CA . 27179 1 351 . 1 . 1 60 60 LEU CB C 13 42.429 0.019 . 1 . 4 . . . 37 LEU CB . 27179 1 352 . 1 . 1 60 60 LEU CG C 13 27.088 0.000 . 1 . 1 . . . 37 LEU CG . 27179 1 353 . 1 . 1 60 60 LEU CD1 C 13 25.033 0.000 . 1 . 1 . . . 37 LEU CD1 . 27179 1 354 . 1 . 1 60 60 LEU CD2 C 13 23.614 0.000 . 1 . 1 . . . 37 LEU CD2 . 27179 1 355 . 1 . 1 60 60 LEU N N 15 124.001 0.017 . 1 . 19 . . . 37 LEU N . 27179 1 356 . 1 . 1 61 61 SER H H 1 8.160 0.004 . 1 . 24 . . . 38 SER HN . 27179 1 357 . 1 . 1 61 61 SER HA H 1 4.491 0.000 . 1 . 1 . . . 38 SER HA . 27179 1 358 . 1 . 1 61 61 SER HB2 H 1 3.857 0.000 . 2 . 1 . . . 38 SER HB2 . 27179 1 359 . 1 . 1 61 61 SER HB3 H 1 3.857 0.000 . 2 . 1 . . . 38 SER HB3 . 27179 1 360 . 1 . 1 61 61 SER C C 13 174.075 0.000 . 1 . 1 . . . 38 SER C . 27179 1 361 . 1 . 1 61 61 SER CA C 13 58.187 0.030 . 1 . 7 . . . 38 SER CA . 27179 1 362 . 1 . 1 61 61 SER CB C 13 64.039 0.023 . 1 . 4 . . . 38 SER CB . 27179 1 363 . 1 . 1 61 61 SER N N 15 116.008 0.028 . 1 . 24 . . . 38 SER N . 27179 1 364 . 1 . 1 62 62 SER H H 1 8.183 0.003 . 1 . 18 . . . 39 SER HN . 27179 1 365 . 1 . 1 62 62 SER CA C 13 56.373 0.025 . 1 . 2 . . . 39 SER CA . 27179 1 366 . 1 . 1 62 62 SER CB C 13 63.584 0.000 . 1 . 1 . . . 39 SER CB . 27179 1 367 . 1 . 1 62 62 SER N N 15 118.457 0.018 . 1 . 18 . . . 39 SER N . 27179 1 368 . 1 . 1 63 63 PRO HA H 1 4.492 0.000 . 1 . 1 . . . 40 PRO HA . 27179 1 369 . 1 . 1 63 63 PRO HB2 H 1 2.020 0.000 . 1 . 1 . . . 40 PRO HB2 . 27179 1 370 . 1 . 1 63 63 PRO HB3 H 1 2.284 0.000 . 1 . 1 . . . 40 PRO HB3 . 27179 1 371 . 1 . 1 63 63 PRO HG2 H 1 1.974 0.046 . 2 . 2 . . . 40 PRO HG2 . 27179 1 372 . 1 . 1 63 63 PRO HG3 H 1 1.974 0.046 . 2 . 2 . . . 40 PRO HG3 . 27179 1 373 . 1 . 1 63 63 PRO HD2 H 1 3.722 0.000 . 1 . 1 . . . 40 PRO HD2 . 27179 1 374 . 1 . 1 63 63 PRO HD3 H 1 3.801 0.000 . 1 . 1 . . . 40 PRO HD3 . 27179 1 375 . 1 . 1 63 63 PRO C C 13 176.753 0.000 . 1 . 1 . . . 40 PRO C . 27179 1 376 . 1 . 1 63 63 PRO CA C 13 63.188 0.058 . 1 . 5 . . . 40 PRO CA . 27179 1 377 . 1 . 1 63 63 PRO CB C 13 32.118 0.008 . 1 . 3 . . . 40 PRO CB . 27179 1 378 . 1 . 1 63 63 PRO CG C 13 27.344 0.000 . 1 . 1 . . . 40 PRO CG . 27179 1 379 . 1 . 1 63 63 PRO CD C 13 50.762 0.000 . 1 . 1 . . . 40 PRO CD . 27179 1 380 . 1 . 1 64 64 SER H H 1 8.345 0.005 . 1 . 24 . . . 41 SER HN . 27179 1 381 . 1 . 1 64 64 SER CA C 13 56.355 0.011 . 1 . 2 . . . 41 SER CA . 27179 1 382 . 1 . 1 64 64 SER CB C 13 63.514 0.000 . 1 . 1 . . . 41 SER CB . 27179 1 383 . 1 . 1 64 64 SER N N 15 117.312 0.020 . 1 . 24 . . . 41 SER N . 27179 1 384 . 1 . 1 65 65 PRO HA H 1 4.481 0.000 . 1 . 1 . . . 42 PRO HA . 27179 1 385 . 1 . 1 65 65 PRO HB2 H 1 2.045 0.000 . 1 . 1 . . . 42 PRO HB2 . 27179 1 386 . 1 . 1 65 65 PRO HB3 H 1 2.321 0.000 . 1 . 1 . . . 42 PRO HB3 . 27179 1 387 . 1 . 1 65 65 PRO HG2 H 1 1.968 0.000 . 1 . 1 . . . 42 PRO HG2 . 27179 1 388 . 1 . 1 65 65 PRO HG3 H 1 2.045 0.000 . 1 . 1 . . . 42 PRO HG3 . 27179 1 389 . 1 . 1 65 65 PRO HD2 H 1 3.759 0.000 . 1 . 1 . . . 42 PRO HD2 . 27179 1 390 . 1 . 1 65 65 PRO HD3 H 1 3.841 0.000 . 1 . 1 . . . 42 PRO HD3 . 27179 1 391 . 1 . 1 65 65 PRO C C 13 177.001 0.000 . 1 . 1 . . . 42 PRO C . 27179 1 392 . 1 . 1 65 65 PRO CA C 13 63.549 0.031 . 1 . 5 . . . 42 PRO CA . 27179 1 393 . 1 . 1 65 65 PRO CB C 13 32.091 0.007 . 1 . 3 . . . 42 PRO CB . 27179 1 394 . 1 . 1 65 65 PRO CG C 13 27.388 0.000 . 1 . 1 . . . 42 PRO CG . 27179 1 395 . 1 . 1 65 65 PRO CD C 13 50.874 0.000 . 1 . 1 . . . 42 PRO CD . 27179 1 396 . 1 . 1 66 66 SER H H 1 8.215 0.003 . 1 . 25 . . . 43 SER HN . 27179 1 397 . 1 . 1 66 66 SER HA H 1 4.433 0.000 . 1 . 1 . . . 43 SER HA . 27179 1 398 . 1 . 1 66 66 SER HB2 H 1 3.865 0.000 . 2 . 1 . . . 43 SER HB2 . 27179 1 399 . 1 . 1 66 66 SER HB3 H 1 3.865 0.000 . 2 . 1 . . . 43 SER HB3 . 27179 1 400 . 1 . 1 66 66 SER C C 13 174.167 0.000 . 1 . 1 . . . 43 SER C . 27179 1 401 . 1 . 1 66 66 SER CA C 13 58.279 0.022 . 1 . 7 . . . 43 SER CA . 27179 1 402 . 1 . 1 66 66 SER CB C 13 63.936 0.027 . 1 . 4 . . . 43 SER CB . 27179 1 403 . 1 . 1 66 66 SER N N 15 115.192 0.014 . 1 . 25 . . . 43 SER N . 27179 1 404 . 1 . 1 67 67 ALA H H 1 8.193 0.003 . 1 . 19 . . . 44 ALA HN . 27179 1 405 . 1 . 1 67 67 ALA HA H 1 4.393 0.000 . 1 . 1 . . . 44 ALA HA . 27179 1 406 . 1 . 1 67 67 ALA HB1 H 1 1.396 0.000 . 1 . 1 . . . 44 ALA HB1 . 27179 1 407 . 1 . 1 67 67 ALA HB2 H 1 1.396 0.000 . 1 . 1 . . . 44 ALA HB2 . 27179 1 408 . 1 . 1 67 67 ALA HB3 H 1 1.396 0.000 . 1 . 1 . . . 44 ALA HB3 . 27179 1 409 . 1 . 1 67 67 ALA C C 13 177.288 0.000 . 1 . 1 . . . 44 ALA C . 27179 1 410 . 1 . 1 67 67 ALA CA C 13 52.346 0.018 . 1 . 7 . . . 44 ALA CA . 27179 1 411 . 1 . 1 67 67 ALA CB C 13 19.484 0.041 . 1 . 4 . . . 44 ALA CB . 27179 1 412 . 1 . 1 67 67 ALA N N 15 125.950 0.013 . 1 . 19 . . . 44 ALA N . 27179 1 413 . 1 . 1 68 68 VAL H H 1 8.006 0.003 . 1 . 18 . . . 45 VAL HN . 27179 1 414 . 1 . 1 68 68 VAL CA C 13 59.875 0.015 . 1 . 2 . . . 45 VAL CA . 27179 1 415 . 1 . 1 68 68 VAL CB C 13 32.613 0.000 . 1 . 1 . . . 45 VAL CB . 27179 1 416 . 1 . 1 68 68 VAL N N 15 120.453 0.019 . 1 . 18 . . . 45 VAL N . 27179 1 417 . 1 . 1 69 69 PRO HA H 1 4.502 0.000 . 1 . 1 . . . 46 PRO HA . 27179 1 418 . 1 . 1 69 69 PRO HB2 H 1 2.038 0.000 . 1 . 1 . . . 46 PRO HB2 . 27179 1 419 . 1 . 1 69 69 PRO HB3 H 1 2.325 0.000 . 1 . 1 . . . 46 PRO HB3 . 27179 1 420 . 1 . 1 69 69 PRO HG2 H 1 1.939 0.000 . 1 . 1 . . . 46 PRO HG2 . 27179 1 421 . 1 . 1 69 69 PRO HG3 H 1 2.038 0.000 . 1 . 1 . . . 46 PRO HG3 . 27179 1 422 . 1 . 1 69 69 PRO HD2 H 1 3.710 0.000 . 1 . 1 . . . 46 PRO HD2 . 27179 1 423 . 1 . 1 69 69 PRO HD3 H 1 3.889 0.000 . 1 . 1 . . . 46 PRO HD3 . 27179 1 424 . 1 . 1 69 69 PRO C C 13 177.140 0.000 . 1 . 1 . . . 46 PRO C . 27179 1 425 . 1 . 1 69 69 PRO CA C 13 63.356 0.037 . 1 . 5 . . . 46 PRO CA . 27179 1 426 . 1 . 1 69 69 PRO CB C 13 32.171 0.004 . 1 . 3 . . . 46 PRO CB . 27179 1 427 . 1 . 1 69 69 PRO CG C 13 27.496 0.000 . 1 . 1 . . . 46 PRO CG . 27179 1 428 . 1 . 1 69 69 PRO CD C 13 51.121 0.000 . 1 . 1 . . . 46 PRO CD . 27179 1 429 . 1 . 1 70 70 THR H H 1 8.136 0.003 . 1 . 25 . . . 47 THR HN . 27179 1 430 . 1 . 1 70 70 THR HA H 1 4.317 0.000 . 1 . 1 . . . 47 THR HA . 27179 1 431 . 1 . 1 70 70 THR HB H 1 4.209 0.000 . 1 . 1 . . . 47 THR HB . 27179 1 432 . 1 . 1 70 70 THR C C 13 174.359 0.000 . 1 . 1 . . . 47 THR C . 27179 1 433 . 1 . 1 70 70 THR CA C 13 61.815 0.066 . 1 . 7 . . . 47 THR CA . 27179 1 434 . 1 . 1 70 70 THR CB C 13 69.839 0.008 . 1 . 4 . . . 47 THR CB . 27179 1 435 . 1 . 1 70 70 THR CG2 C 13 22.009 0.000 . 1 . 1 . . . 47 THR CG2 . 27179 1 436 . 1 . 1 70 70 THR N N 15 113.717 0.016 . 1 . 25 . . . 47 THR N . 27179 1 437 . 1 . 1 71 71 ASP H H 1 8.259 0.008 . 1 . 20 . . . 48 ASP HN . 27179 1 438 . 1 . 1 71 71 ASP HA H 1 4.595 0.000 . 1 . 1 . . . 48 ASP HA . 27179 1 439 . 1 . 1 71 71 ASP HB2 H 1 2.721 0.000 . 2 . 1 . . . 48 ASP HB2 . 27179 1 440 . 1 . 1 71 71 ASP HB3 H 1 2.721 0.000 . 2 . 1 . . . 48 ASP HB3 . 27179 1 441 . 1 . 1 71 71 ASP C C 13 176.075 0.000 . 1 . 1 . . . 48 ASP C . 27179 1 442 . 1 . 1 71 71 ASP CA C 13 53.865 0.060 . 1 . 7 . . . 48 ASP CA . 27179 1 443 . 1 . 1 71 71 ASP CB C 13 40.611 0.005 . 1 . 3 . . . 48 ASP CB . 27179 1 444 . 1 . 1 71 71 ASP N N 15 121.865 0.090 . 1 . 20 . . . 48 ASP N . 27179 1 445 . 1 . 1 72 72 HIS H H 1 8.521 0.002 . 1 . 18 . . . 49 HIS HN . 27179 1 446 . 1 . 1 72 72 HIS HA H 1 4.690 0.000 . 1 . 1 . . . 49 HIS HA . 27179 1 447 . 1 . 1 72 72 HIS HB2 H 1 3.207 0.000 . 1 . 1 . . . 49 HIS HB2 . 27179 1 448 . 1 . 1 72 72 HIS HB3 H 1 3.386 0.000 . 1 . 1 . . . 49 HIS HB3 . 27179 1 449 . 1 . 1 72 72 HIS C C 13 174.924 0.000 . 1 . 1 . . . 49 HIS C . 27179 1 450 . 1 . 1 72 72 HIS CA C 13 55.695 0.047 . 1 . 7 . . . 49 HIS CA . 27179 1 451 . 1 . 1 72 72 HIS CB C 13 28.612 0.029 . 1 . 4 . . . 49 HIS CB . 27179 1 452 . 1 . 1 72 72 HIS N N 15 119.035 0.018 . 1 . 18 . . . 49 HIS N . 27179 1 453 . 1 . 1 73 73 GLY H H 1 8.437 0.005 . 1 . 19 . . . 50 GLY HN . 27179 1 454 . 1 . 1 73 73 GLY HA2 H 1 3.937 0.000 . 2 . 1 . . . 50 GLY HA1 . 27179 1 455 . 1 . 1 73 73 GLY HA3 H 1 3.937 0.000 . 2 . 1 . . . 50 GLY HA2 . 27179 1 456 . 1 . 1 73 73 GLY C C 13 173.760 0.000 . 1 . 1 . . . 50 GLY C . 27179 1 457 . 1 . 1 73 73 GLY CA C 13 45.398 0.018 . 1 . 7 . . . 50 GLY CA . 27179 1 458 . 1 . 1 73 73 GLY N N 15 109.017 0.022 . 1 . 19 . . . 50 GLY N . 27179 1 459 . 1 . 1 74 74 ALA H H 1 8.056 0.002 . 1 . 15 . . . 51 ALA HN . 27179 1 460 . 1 . 1 74 74 ALA HA H 1 4.289 0.000 . 1 . 1 . . . 51 ALA HA . 27179 1 461 . 1 . 1 74 74 ALA HB1 H 1 1.339 0.000 . 1 . 1 . . . 51 ALA HB1 . 27179 1 462 . 1 . 1 74 74 ALA HB2 H 1 1.339 0.000 . 1 . 1 . . . 51 ALA HB2 . 27179 1 463 . 1 . 1 74 74 ALA HB3 H 1 1.339 0.000 . 1 . 1 . . . 51 ALA HB3 . 27179 1 464 . 1 . 1 74 74 ALA C C 13 177.489 0.000 . 1 . 1 . . . 51 ALA C . 27179 1 465 . 1 . 1 74 74 ALA CA C 13 52.545 0.032 . 1 . 7 . . . 51 ALA CA . 27179 1 466 . 1 . 1 74 74 ALA CB C 13 19.357 0.021 . 1 . 4 . . . 51 ALA CB . 27179 1 467 . 1 . 1 74 74 ALA N N 15 123.273 0.044 . 1 . 15 . . . 51 ALA N . 27179 1 468 . 1 . 1 75 75 HIS H H 1 8.462 0.004 . 1 . 19 . . . 52 HIS HN . 27179 1 469 . 1 . 1 75 75 HIS HA H 1 4.724 0.000 . 1 . 1 . . . 52 HIS HA . 27179 1 470 . 1 . 1 75 75 HIS HB2 H 1 3.294 0.000 . 1 . 1 . . . 52 HIS HB1 . 27179 1 471 . 1 . 1 75 75 HIS HB3 H 1 3.182 0.000 . 1 . 1 . . . 52 HIS HB2 . 27179 1 472 . 1 . 1 75 75 HIS C C 13 174.252 0.000 . 1 . 1 . . . 52 HIS C . 27179 1 473 . 1 . 1 75 75 HIS CA C 13 55.115 0.057 . 1 . 6 . . . 52 HIS CA . 27179 1 474 . 1 . 1 75 75 HIS CB C 13 28.960 0.010 . 1 . 4 . . . 52 HIS CB . 27179 1 475 . 1 . 1 75 75 HIS N N 15 117.140 0.023 . 1 . 19 . . . 52 HIS N . 27179 1 476 . 1 . 1 76 76 LEU H H 1 8.285 0.004 . 1 . 19 . . . 53 LEU HN . 27179 1 477 . 1 . 1 76 76 LEU HA H 1 4.390 0.000 . 1 . 1 . . . 53 LEU HA . 27179 1 478 . 1 . 1 76 76 LEU HB2 H 1 1.652 0.000 . 2 . 1 . . . 53 LEU HB2 . 27179 1 479 . 1 . 1 76 76 LEU HB3 H 1 1.652 0.000 . 2 . 1 . . . 53 LEU HB3 . 27179 1 480 . 1 . 1 76 76 LEU HG H 1 1.573 0.000 . 1 . 1 . . . 53 LEU HG . 27179 1 481 . 1 . 1 76 76 LEU HD11 H 1 0.903 0.000 . 2 . 1 . . . 53 LEU HD11 . 27179 1 482 . 1 . 1 76 76 LEU HD12 H 1 0.903 0.000 . 2 . 1 . . . 53 LEU HD12 . 27179 1 483 . 1 . 1 76 76 LEU HD13 H 1 0.903 0.000 . 2 . 1 . . . 53 LEU HD13 . 27179 1 484 . 1 . 1 76 76 LEU HD21 H 1 0.903 0.000 . 2 . 1 . . . 53 LEU HD21 . 27179 1 485 . 1 . 1 76 76 LEU HD22 H 1 0.903 0.000 . 2 . 1 . . . 53 LEU HD22 . 27179 1 486 . 1 . 1 76 76 LEU HD23 H 1 0.903 0.000 . 2 . 1 . . . 53 LEU HD23 . 27179 1 487 . 1 . 1 76 76 LEU C C 13 176.785 0.000 . 1 . 1 . . . 53 LEU C . 27179 1 488 . 1 . 1 76 76 LEU CA C 13 55.282 0.071 . 1 . 7 . . . 53 LEU CA . 27179 1 489 . 1 . 1 76 76 LEU CB C 13 42.739 0.009 . 1 . 4 . . . 53 LEU CB . 27179 1 490 . 1 . 1 76 76 LEU CG C 13 27.069 0.000 . 1 . 1 . . . 53 LEU CG . 27179 1 491 . 1 . 1 76 76 LEU CD1 C 13 24.978 0.000 . 1 . 1 . . . 53 LEU CD1 . 27179 1 492 . 1 . 1 76 76 LEU CD2 C 13 23.844 0.000 . 1 . 1 . . . 53 LEU CD2 . 27179 1 493 . 1 . 1 76 76 LEU N N 15 123.071 0.034 . 1 . 19 . . . 53 LEU N . 27179 1 494 . 1 . 1 77 77 SER H H 1 8.297 0.005 . 1 . 24 . . . 54 SER HN . 27179 1 495 . 1 . 1 77 77 SER HA H 1 4.552 0.000 . 1 . 1 . . . 54 SER HA . 27179 1 496 . 1 . 1 77 77 SER HB2 H 1 3.859 0.000 . 2 . 1 . . . 54 SER HB2 . 27179 1 497 . 1 . 1 77 77 SER HB3 H 1 3.859 0.000 . 2 . 1 . . . 54 SER HB3 . 27179 1 498 . 1 . 1 77 77 SER C C 13 174.369 0.000 . 1 . 1 . . . 54 SER C . 27179 1 499 . 1 . 1 77 77 SER CA C 13 57.864 0.032 . 1 . 7 . . . 54 SER CA . 27179 1 500 . 1 . 1 77 77 SER CB C 13 64.157 0.010 . 1 . 4 . . . 54 SER CB . 27179 1 501 . 1 . 1 77 77 SER N N 15 116.723 0.025 . 1 . 24 . . . 54 SER N . 27179 1 502 . 1 . 1 78 78 LEU H H 1 8.366 0.004 . 1 . 19 . . . 55 LEU HN . 27179 1 503 . 1 . 1 78 78 LEU HA H 1 4.270 0.000 . 1 . 1 . . . 55 LEU HA . 27179 1 504 . 1 . 1 78 78 LEU HB2 H 1 1.662 0.000 . 2 . 1 . . . 55 LEU HB2 . 27179 1 505 . 1 . 1 78 78 LEU HB3 H 1 1.662 0.000 . 2 . 1 . . . 55 LEU HB3 . 27179 1 506 . 1 . 1 78 78 LEU HG H 1 1.662 0.000 . 1 . 1 . . . 55 LEU HG . 27179 1 507 . 1 . 1 78 78 LEU HD11 H 1 0.916 0.000 . 2 . 1 . . . 55 LEU HD11 . 27179 1 508 . 1 . 1 78 78 LEU HD12 H 1 0.916 0.000 . 2 . 1 . . . 55 LEU HD12 . 27179 1 509 . 1 . 1 78 78 LEU HD13 H 1 0.916 0.000 . 2 . 1 . . . 55 LEU HD13 . 27179 1 510 . 1 . 1 78 78 LEU HD21 H 1 0.916 0.000 . 2 . 1 . . . 55 LEU HD21 . 27179 1 511 . 1 . 1 78 78 LEU HD22 H 1 0.916 0.000 . 2 . 1 . . . 55 LEU HD22 . 27179 1 512 . 1 . 1 78 78 LEU HD23 H 1 0.916 0.000 . 2 . 1 . . . 55 LEU HD23 . 27179 1 513 . 1 . 1 78 78 LEU C C 13 177.039 0.000 . 1 . 1 . . . 55 LEU C . 27179 1 514 . 1 . 1 78 78 LEU CA C 13 55.296 0.055 . 1 . 7 . . . 55 LEU CA . 27179 1 515 . 1 . 1 78 78 LEU CB C 13 42.364 0.015 . 1 . 4 . . . 55 LEU CB . 27179 1 516 . 1 . 1 78 78 LEU CG C 13 25.233 0.000 . 1 . 1 . . . 55 LEU CG . 27179 1 517 . 1 . 1 78 78 LEU CD1 C 13 23.734 0.000 . 1 . 1 . . . 55 LEU CD . 27179 1 518 . 1 . 1 78 78 LEU CD2 C 13 23.734 0.000 . 1 . 1 . . . 55 LEU CD . 27179 1 519 . 1 . 1 78 78 LEU N N 15 123.929 0.029 . 1 . 19 . . . 55 LEU N . 27179 1 520 . 1 . 1 79 79 ARG H H 1 8.223 0.004 . 1 . 25 . . . 56 ARG HN . 27179 1 521 . 1 . 1 79 79 ARG HA H 1 4.269 0.000 . 1 . 1 . . . 56 ARG HA . 27179 1 522 . 1 . 1 79 79 ARG HB2 H 1 1.908 0.000 . 2 . 1 . . . 56 ARG HB2 . 27179 1 523 . 1 . 1 79 79 ARG HB3 H 1 1.908 0.000 . 2 . 1 . . . 56 ARG HB3 . 27179 1 524 . 1 . 1 79 79 ARG HG2 H 1 1.793 0.000 . 2 . 1 . . . 56 ARG HG2 . 27179 1 525 . 1 . 1 79 79 ARG HG3 H 1 1.793 0.000 . 2 . 1 . . . 56 ARG HG3 . 27179 1 526 . 1 . 1 79 79 ARG HD2 H 1 3.220 0.000 . 2 . 1 . . . 56 ARG HD2 . 27179 1 527 . 1 . 1 79 79 ARG HD3 H 1 3.220 0.000 . 2 . 1 . . . 56 ARG HD3 . 27179 1 528 . 1 . 1 79 79 ARG C C 13 176.499 0.000 . 1 . 1 . . . 56 ARG C . 27179 1 529 . 1 . 1 79 79 ARG CA C 13 56.571 0.030 . 1 . 7 . . . 56 ARG CA . 27179 1 530 . 1 . 1 79 79 ARG CB C 13 30.502 0.025 . 1 . 4 . . . 56 ARG CB . 27179 1 531 . 1 . 1 79 79 ARG CG C 13 27.230 0.000 . 1 . 1 . . . 56 ARG CG . 27179 1 532 . 1 . 1 79 79 ARG CD C 13 43.463 0.000 . 1 . 1 . . . 56 ARG CD . 27179 1 533 . 1 . 1 79 79 ARG N N 15 120.131 0.034 . 1 . 25 . . . 56 ARG N . 27179 1 534 . 1 . 1 80 80 GLY H H 1 8.276 0.004 . 1 . 22 . . . 57 GLY HN . 27179 1 535 . 1 . 1 80 80 GLY HA2 H 1 3.949 0.000 . 2 . 1 . . . 57 GLY HA1 . 27179 1 536 . 1 . 1 80 80 GLY HA3 H 1 3.949 0.000 . 2 . 1 . . . 57 GLY HA2 . 27179 1 537 . 1 . 1 80 80 GLY C C 13 173.774 0.000 . 1 . 1 . . . 57 GLY C . 27179 1 538 . 1 . 1 80 80 GLY CA C 13 45.176 0.019 . 1 . 7 . . . 57 GLY CA . 27179 1 539 . 1 . 1 80 80 GLY N N 15 108.553 0.046 . 1 . 22 . . . 57 GLY N . 27179 1 540 . 1 . 1 81 81 LEU H H 1 7.888 0.004 . 1 . 14 . . . 58 LEU HN . 27179 1 541 . 1 . 1 81 81 LEU CA C 13 52.977 0.024 . 1 . 2 . . . 58 LEU CA . 27179 1 542 . 1 . 1 81 81 LEU CB C 13 42.171 0.000 . 1 . 1 . . . 58 LEU CB . 27179 1 543 . 1 . 1 81 81 LEU N N 15 122.108 0.018 . 1 . 14 . . . 58 LEU N . 27179 1 544 . 1 . 1 82 82 PRO HA H 1 4.589 0.000 . 1 . 1 . . . 59 PRO HA . 27179 1 545 . 1 . 1 82 82 PRO HB2 H 1 2.052 0.000 . 1 . 1 . . . 59 PRO HB2 . 27179 1 546 . 1 . 1 82 82 PRO HB3 H 1 2.263 0.000 . 1 . 1 . . . 59 PRO HB3 . 27179 1 547 . 1 . 1 82 82 PRO HG2 H 1 2.052 0.000 . 2 . 1 . . . 59 PRO HG2 . 27179 1 548 . 1 . 1 82 82 PRO HG3 H 1 2.052 0.000 . 2 . 1 . . . 59 PRO HG3 . 27179 1 549 . 1 . 1 82 82 PRO C C 13 176.917 0.000 . 1 . 1 . . . 59 PRO C . 27179 1 550 . 1 . 1 82 82 PRO CA C 13 62.962 0.050 . 1 . 4 . . . 59 PRO CA . 27179 1 551 . 1 . 1 82 82 PRO CB C 13 31.525 0.008 . 1 . 3 . . . 59 PRO CB . 27179 1 552 . 1 . 1 82 82 PRO CG C 13 27.598 0.000 . 1 . 1 . . . 59 PRO CG . 27179 1 553 . 1 . 1 82 82 PRO CD C 13 50.463 0.000 . 1 . 1 . . . 59 PRO CD . 27179 1 554 . 1 . 1 83 83 VAL H H 1 8.145 0.004 . 1 . 20 . . . 60 VAL HN . 27179 1 555 . 1 . 1 83 83 VAL HA H 1 4.059 0.000 . 1 . 1 . . . 60 VAL HA . 27179 1 556 . 1 . 1 83 83 VAL HB H 1 2.132 0.000 . 1 . 1 . . . 60 VAL HB . 27179 1 557 . 1 . 1 83 83 VAL HG11 H 1 0.979 0.000 . 2 . 1 . . . 60 VAL HG11 . 27179 1 558 . 1 . 1 83 83 VAL HG12 H 1 0.979 0.000 . 2 . 1 . . . 60 VAL HG12 . 27179 1 559 . 1 . 1 83 83 VAL HG13 H 1 0.979 0.000 . 2 . 1 . . . 60 VAL HG13 . 27179 1 560 . 1 . 1 83 83 VAL HG21 H 1 0.979 0.000 . 2 . 1 . . . 60 VAL HG21 . 27179 1 561 . 1 . 1 83 83 VAL HG22 H 1 0.979 0.000 . 2 . 1 . . . 60 VAL HG22 . 27179 1 562 . 1 . 1 83 83 VAL HG23 H 1 0.979 0.000 . 2 . 1 . . . 60 VAL HG23 . 27179 1 563 . 1 . 1 83 83 VAL C C 13 176.674 0.000 . 1 . 1 . . . 60 VAL C . 27179 1 564 . 1 . 1 83 83 VAL CA C 13 63.085 0.048 . 1 . 6 . . . 60 VAL CA . 27179 1 565 . 1 . 1 83 83 VAL CB C 13 32.540 0.015 . 1 . 4 . . . 60 VAL CB . 27179 1 566 . 1 . 1 83 83 VAL CG1 C 13 21.330 0.000 . 1 . 1 . . . 60 VAL CG1 . 27179 1 567 . 1 . 1 83 83 VAL N N 15 119.464 0.024 . 1 . 20 . . . 60 VAL N . 27179 1 568 . 1 . 1 84 84 SER H H 1 8.221 0.004 . 1 . 21 . . . 61 SER HN . 27179 1 569 . 1 . 1 84 84 SER HA H 1 4.394 0.000 . 1 . 1 . . . 61 SER HA . 27179 1 570 . 1 . 1 84 84 SER HB2 H 1 3.911 0.000 . 2 . 1 . . . 61 SER HB2 . 27179 1 571 . 1 . 1 84 84 SER HB3 H 1 3.911 0.000 . 2 . 1 . . . 61 SER HB3 . 27179 1 572 . 1 . 1 84 84 SER C C 13 174.826 0.000 . 1 . 1 . . . 61 SER C . 27179 1 573 . 1 . 1 84 84 SER CA C 13 58.721 0.019 . 1 . 7 . . . 61 SER CA . 27179 1 574 . 1 . 1 84 84 SER CB C 13 63.670 0.039 . 1 . 4 . . . 61 SER CB . 27179 1 575 . 1 . 1 84 84 SER N N 15 117.217 0.032 . 1 . 21 . . . 61 SER N . 27179 1 576 . 1 . 1 85 85 ALA H H 1 8.141 0.006 . 1 . 19 . . . 62 ALA HN . 27179 1 577 . 1 . 1 85 85 ALA HA H 1 4.239 0.000 . 1 . 1 . . . 62 ALA HA . 27179 1 578 . 1 . 1 85 85 ALA HB1 H 1 1.280 0.002 . 1 . 2 . . . 62 ALA HB . 27179 1 579 . 1 . 1 85 85 ALA HB2 H 1 1.280 0.002 . 1 . 2 . . . 62 ALA HB . 27179 1 580 . 1 . 1 85 85 ALA HB3 H 1 1.280 0.002 . 1 . 2 . . . 62 ALA HB . 27179 1 581 . 1 . 1 85 85 ALA C C 13 177.419 0.049 . 1 . 2 . . . 62 ALA C . 27179 1 582 . 1 . 1 85 85 ALA CA C 13 53.124 0.023 . 1 . 7 . . . 62 ALA CA . 27179 1 583 . 1 . 1 85 85 ALA CB C 13 19.142 0.033 . 1 . 4 . . . 62 ALA CB . 27179 1 584 . 1 . 1 85 85 ALA N N 15 124.960 0.029 . 1 . 19 . . . 62 ALA N . 27179 1 585 . 1 . 1 86 86 PHE H H 1 7.951 0.004 . 1 . 22 . . . 63 PHE HN . 27179 1 586 . 1 . 1 86 86 PHE HA H 1 4.623 0.000 . 1 . 1 . . . 63 PHE HA . 27179 1 587 . 1 . 1 86 86 PHE HB2 H 1 3.028 0.000 . 1 . 1 . . . 63 PHE HB2 . 27179 1 588 . 1 . 1 86 86 PHE HB3 H 1 3.232 0.000 . 1 . 1 . . . 63 PHE HB3 . 27179 1 589 . 1 . 1 86 86 PHE C C 13 175.827 0.000 . 1 . 1 . . . 63 PHE C . 27179 1 590 . 1 . 1 86 86 PHE CA C 13 57.810 0.051 . 1 . 7 . . . 63 PHE CA . 27179 1 591 . 1 . 1 86 86 PHE CB C 13 39.477 0.021 . 1 . 4 . . . 63 PHE CB . 27179 1 592 . 1 . 1 86 86 PHE N N 15 116.863 0.046 . 1 . 22 . . . 63 PHE N . 27179 1 593 . 1 . 1 87 87 SER H H 1 7.995 0.003 . 1 . 20 . . . 64 SER HN . 27179 1 594 . 1 . 1 87 87 SER HA H 1 4.477 0.000 . 1 . 1 . . . 64 SER HA . 27179 1 595 . 1 . 1 87 87 SER HB2 H 1 3.860 0.000 . 1 . 1 . . . 64 SER HB2 . 27179 1 596 . 1 . 1 87 87 SER HB3 H 1 3.931 0.000 . 1 . 1 . . . 64 SER HB3 . 27179 1 597 . 1 . 1 87 87 SER C C 13 174.656 0.000 . 1 . 1 . . . 64 SER C . 27179 1 598 . 1 . 1 87 87 SER CA C 13 58.576 0.026 . 1 . 5 . . . 64 SER CA . 27179 1 599 . 1 . 1 87 87 SER CB C 13 64.069 0.032 . 1 . 3 . . . 64 SER CB . 27179 1 600 . 1 . 1 87 87 SER N N 15 115.645 0.026 . 1 . 20 . . . 64 SER N . 27179 1 601 . 1 . 1 88 88 SER H H 1 8.252 0.003 . 1 . 17 . . . 65 SER HN . 27179 1 602 . 1 . 1 88 88 SER HA H 1 4.470 0.000 . 1 . 1 . . . 65 SER HA . 27179 1 603 . 1 . 1 88 88 SER HB2 H 1 3.916 0.000 . 2 . 1 . . . 65 SER HB2 . 27179 1 604 . 1 . 1 88 88 SER HB3 H 1 3.916 0.000 . 2 . 1 . . . 65 SER HB3 . 27179 1 605 . 1 . 1 88 88 SER C C 13 174.151 0.000 . 1 . 1 . . . 65 SER C . 27179 1 606 . 1 . 1 88 88 SER CA C 13 58.615 0.026 . 1 . 7 . . . 65 SER CA . 27179 1 607 . 1 . 1 88 88 SER CB C 13 63.888 0.040 . 1 . 4 . . . 65 SER CB . 27179 1 608 . 1 . 1 88 88 SER N N 15 117.446 0.023 . 1 . 17 . . . 65 SER N . 27179 1 609 . 1 . 1 89 89 ALA H H 1 8.159 0.003 . 1 . 19 . . . 66 ALA HN . 27179 1 610 . 1 . 1 89 89 ALA HA H 1 4.414 0.000 . 1 . 1 . . . 66 ALA HA . 27179 1 611 . 1 . 1 89 89 ALA HB1 H 1 1.419 0.000 . 1 . 1 . . . 66 ALA HB1 . 27179 1 612 . 1 . 1 89 89 ALA HB2 H 1 1.419 0.000 . 1 . 1 . . . 66 ALA HB2 . 27179 1 613 . 1 . 1 89 89 ALA HB3 H 1 1.419 0.000 . 1 . 1 . . . 66 ALA HB3 . 27179 1 614 . 1 . 1 89 89 ALA C C 13 177.648 0.000 . 1 . 1 . . . 66 ALA C . 27179 1 615 . 1 . 1 89 89 ALA CA C 13 52.533 0.020 . 1 . 7 . . . 66 ALA CA . 27179 1 616 . 1 . 1 89 89 ALA CB C 13 19.694 0.029 . 1 . 4 . . . 66 ALA CB . 27179 1 617 . 1 . 1 89 89 ALA N N 15 125.021 0.022 . 1 . 19 . . . 66 ALA N . 27179 1 618 . 1 . 1 90 90 GLY H H 1 8.093 0.006 . 1 . 17 . . . 67 GLY HN . 27179 1 619 . 1 . 1 90 90 GLY CA C 13 44.890 0.005 . 1 . 2 . . . 67 GLY CA . 27179 1 620 . 1 . 1 90 90 GLY N N 15 107.520 0.019 . 1 . 17 . . . 67 GLY N . 27179 1 621 . 1 . 1 91 91 PRO HA H 1 4.421 0.000 . 1 . 1 . . . 68 PRO HA . 27179 1 622 . 1 . 1 91 91 PRO HB2 H 1 2.046 0.000 . 1 . 1 . . . 68 PRO HB2 . 27179 1 623 . 1 . 1 91 91 PRO HB3 H 1 2.314 0.000 . 1 . 1 . . . 68 PRO HB3 . 27179 1 624 . 1 . 1 91 91 PRO HG2 H 1 2.046 0.000 . 2 . 1 . . . 68 PRO HG2 . 27179 1 625 . 1 . 1 91 91 PRO HG3 H 1 2.046 0.000 . 2 . 1 . . . 68 PRO HG3 . 27179 1 626 . 1 . 1 91 91 PRO HD2 H 1 3.672 0.000 . 2 . 1 . . . 68 PRO HD2 . 27179 1 627 . 1 . 1 91 91 PRO HD3 H 1 3.672 0.000 . 2 . 1 . . . 68 PRO HD3 . 27179 1 628 . 1 . 1 91 91 PRO C C 13 177.721 0.000 . 1 . 1 . . . 68 PRO C . 27179 1 629 . 1 . 1 91 91 PRO CA C 13 63.812 0.028 . 1 . 4 . . . 68 PRO CA . 27179 1 630 . 1 . 1 91 91 PRO CB C 13 32.081 0.024 . 1 . 3 . . . 68 PRO CB . 27179 1 631 . 1 . 1 91 91 PRO CG C 13 27.371 0.000 . 1 . 1 . . . 68 PRO CG . 27179 1 632 . 1 . 1 91 91 PRO CD C 13 49.939 0.000 . 1 . 1 . . . 68 PRO CD . 27179 1 633 . 1 . 1 92 92 SER H H 1 8.343 0.003 . 1 . 22 . . . 69 SER HN . 27179 1 634 . 1 . 1 92 92 SER HA H 1 4.364 0.000 . 1 . 1 . . . 69 SER HA . 27179 1 635 . 1 . 1 92 92 SER HB2 H 1 3.921 0.000 . 2 . 1 . . . 69 SER HB2 . 27179 1 636 . 1 . 1 92 92 SER HB3 H 1 3.921 0.000 . 2 . 1 . . . 69 SER HB3 . 27179 1 637 . 1 . 1 92 92 SER C C 13 174.928 0.000 . 1 . 1 . . . 69 SER C . 27179 1 638 . 1 . 1 92 92 SER CA C 13 59.235 0.030 . 1 . 7 . . . 69 SER CA . 27179 1 639 . 1 . 1 92 92 SER CB C 13 63.596 0.059 . 1 . 4 . . . 69 SER CB . 27179 1 640 . 1 . 1 92 92 SER N N 15 115.401 0.021 . 1 . 22 . . . 69 SER N . 27179 1 641 . 1 . 1 93 93 ALA H H 1 8.190 0.003 . 1 . 19 . . . 70 ALA HN . 27179 1 642 . 1 . 1 93 93 ALA HA H 1 4.289 0.000 . 1 . 1 . . . 70 ALA HA . 27179 1 643 . 1 . 1 93 93 ALA HB1 H 1 1.424 0.000 . 1 . 1 . . . 70 ALA HB1 . 27179 1 644 . 1 . 1 93 93 ALA HB2 H 1 1.424 0.000 . 1 . 1 . . . 70 ALA HB2 . 27179 1 645 . 1 . 1 93 93 ALA HB3 H 1 1.424 0.000 . 1 . 1 . . . 70 ALA HB3 . 27179 1 646 . 1 . 1 93 93 ALA C C 13 177.891 0.000 . 1 . 1 . . . 70 ALA C . 27179 1 647 . 1 . 1 93 93 ALA CA C 13 53.133 0.018 . 1 . 7 . . . 70 ALA CA . 27179 1 648 . 1 . 1 93 93 ALA CB C 13 19.246 0.033 . 1 . 4 . . . 70 ALA CB . 27179 1 649 . 1 . 1 93 93 ALA N N 15 124.900 0.022 . 1 . 19 . . . 70 ALA N . 27179 1 650 . 1 . 1 94 94 LEU H H 1 7.901 0.003 . 1 . 19 . . . 71 LEU HN . 27179 1 651 . 1 . 1 94 94 LEU HA H 1 4.262 0.000 . 1 . 1 . . . 71 LEU HA . 27179 1 652 . 1 . 1 94 94 LEU HB2 H 1 1.641 0.000 . 2 . 1 . . . 71 LEU HB2 . 27179 1 653 . 1 . 1 94 94 LEU HB3 H 1 1.641 0.000 . 2 . 1 . . . 71 LEU HB3 . 27179 1 654 . 1 . 1 94 94 LEU HG H 1 1.544 0.000 . 1 . 1 . . . 71 LEU HG . 27179 1 655 . 1 . 1 94 94 LEU HD11 H 1 0.916 0.000 . 2 . 1 . . . 71 LEU HD11 . 27179 1 656 . 1 . 1 94 94 LEU HD12 H 1 0.916 0.000 . 2 . 1 . . . 71 LEU HD12 . 27179 1 657 . 1 . 1 94 94 LEU HD13 H 1 0.916 0.000 . 2 . 1 . . . 71 LEU HD13 . 27179 1 658 . 1 . 1 94 94 LEU HD21 H 1 0.916 0.000 . 2 . 1 . . . 71 LEU HD21 . 27179 1 659 . 1 . 1 94 94 LEU HD22 H 1 0.916 0.000 . 2 . 1 . . . 71 LEU HD22 . 27179 1 660 . 1 . 1 94 94 LEU HD23 H 1 0.916 0.000 . 2 . 1 . . . 71 LEU HD23 . 27179 1 661 . 1 . 1 94 94 LEU C C 13 177.210 0.000 . 1 . 1 . . . 71 LEU C . 27179 1 662 . 1 . 1 94 94 LEU CA C 13 55.437 0.058 . 1 . 7 . . . 71 LEU CA . 27179 1 663 . 1 . 1 94 94 LEU CB C 13 42.107 0.025 . 1 . 4 . . . 71 LEU CB . 27179 1 664 . 1 . 1 94 94 LEU CG C 13 27.147 0.000 . 1 . 1 . . . 71 LEU CG . 27179 1 665 . 1 . 1 94 94 LEU CD1 C 13 23.703 0.000 . 1 . 1 . . . 71 LEU CD1 . 27179 1 666 . 1 . 1 94 94 LEU CD2 C 13 25.055 0.000 . 1 . 1 . . . 71 LEU CD2 . 27179 1 667 . 1 . 1 94 94 LEU N N 15 119.083 0.024 . 1 . 19 . . . 71 LEU N . 27179 1 668 . 1 . 1 95 95 ARG H H 1 7.906 0.004 . 1 . 24 . . . 72 ARG HN . 27179 1 669 . 1 . 1 95 95 ARG HA H 1 4.273 0.000 . 1 . 1 . . . 72 ARG HA . 27179 1 670 . 1 . 1 95 95 ARG HB2 H 1 1.720 0.000 . 2 . 1 . . . 72 ARG HB2 . 27179 1 671 . 1 . 1 95 95 ARG HB3 H 1 1.720 0.000 . 2 . 1 . . . 72 ARG HB3 . 27179 1 672 . 1 . 1 95 95 ARG HG2 H 1 1.493 0.000 . 2 . 1 . . . 72 ARG HG2 . 27179 1 673 . 1 . 1 95 95 ARG HG3 H 1 1.493 0.000 . 2 . 1 . . . 72 ARG HG3 . 27179 1 674 . 1 . 1 95 95 ARG HD2 H 1 3.145 0.000 . 2 . 1 . . . 72 ARG HD2 . 27179 1 675 . 1 . 1 95 95 ARG HD3 H 1 3.145 0.000 . 2 . 1 . . . 72 ARG HD3 . 27179 1 676 . 1 . 1 95 95 ARG C C 13 176.136 0.000 . 1 . 1 . . . 72 ARG C . 27179 1 677 . 1 . 1 95 95 ARG CA C 13 56.370 0.029 . 1 . 7 . . . 72 ARG CA . 27179 1 678 . 1 . 1 95 95 ARG CB C 13 30.797 0.008 . 1 . 4 . . . 72 ARG CB . 27179 1 679 . 1 . 1 95 95 ARG CG C 13 27.112 0.000 . 1 . 1 . . . 72 ARG CG . 27179 1 680 . 1 . 1 95 95 ARG CD C 13 43.492 0.000 . 1 . 1 . . . 72 ARG CD . 27179 1 681 . 1 . 1 95 95 ARG N N 15 120.026 0.023 . 1 . 24 . . . 72 ARG N . 27179 1 682 . 1 . 1 96 96 PHE H H 1 8.120 0.003 . 1 . 23 . . . 73 PHE HN . 27179 1 683 . 1 . 1 96 96 PHE HA H 1 4.712 0.000 . 1 . 1 . . . 73 PHE HA . 27179 1 684 . 1 . 1 96 96 PHE HB2 H 1 3.045 0.000 . 1 . 1 . . . 73 PHE HB2 . 27179 1 685 . 1 . 1 96 96 PHE HB3 H 1 3.236 0.000 . 1 . 1 . . . 73 PHE HB3 . 27179 1 686 . 1 . 1 96 96 PHE C C 13 175.998 0.000 . 1 . 1 . . . 73 PHE C . 27179 1 687 . 1 . 1 96 96 PHE CA C 13 57.940 0.027 . 1 . 7 . . . 73 PHE CA . 27179 1 688 . 1 . 1 96 96 PHE CB C 13 39.574 0.036 . 1 . 4 . . . 73 PHE CB . 27179 1 689 . 1 . 1 96 96 PHE N N 15 119.921 0.021 . 1 . 23 . . . 73 PHE N . 27179 1 690 . 1 . 1 97 97 THR H H 1 8.000 0.004 . 1 . 20 . . . 74 THR HN . 27179 1 691 . 1 . 1 97 97 THR HA H 1 4.262 0.000 . 1 . 1 . . . 74 THR HA . 27179 1 692 . 1 . 1 97 97 THR HB H 1 4.262 0.000 . 1 . 1 . . . 74 THR HB . 27179 1 693 . 1 . 1 97 97 THR C C 13 174.621 0.000 . 1 . 1 . . . 74 THR C . 27179 1 694 . 1 . 1 97 97 THR CA C 13 62.165 0.101 . 1 . 7 . . . 74 THR CA . 27179 1 695 . 1 . 1 97 97 THR CB C 13 69.871 0.025 . 1 . 4 . . . 74 THR CB . 27179 1 696 . 1 . 1 97 97 THR CG2 C 13 21.330 0.000 . 1 . 1 . . . 74 THR CG2 . 27179 1 697 . 1 . 1 97 97 THR N N 15 114.237 0.021 . 1 . 20 . . . 74 THR N . 27179 1 698 . 1 . 1 98 98 SER H H 1 8.210 0.004 . 1 . 20 . . . 75 SER HN . 27179 1 699 . 1 . 1 98 98 SER HA H 1 4.437 0.000 . 1 . 1 . . . 75 SER HA . 27179 1 700 . 1 . 1 98 98 SER HB2 H 1 3.908 0.000 . 2 . 1 . . . 75 SER HB2 . 27179 1 701 . 1 . 1 98 98 SER HB3 H 1 3.908 0.000 . 2 . 1 . . . 75 SER HB3 . 27179 1 702 . 1 . 1 98 98 SER C C 13 174.511 0.000 . 1 . 1 . . . 75 SER C . 27179 1 703 . 1 . 1 98 98 SER CA C 13 58.708 0.026 . 1 . 7 . . . 75 SER CA . 27179 1 704 . 1 . 1 98 98 SER CB C 13 63.889 0.050 . 1 . 4 . . . 75 SER CB . 27179 1 705 . 1 . 1 98 98 SER N N 15 117.465 0.078 . 1 . 20 . . . 75 SER N . 27179 1 706 . 1 . 1 99 99 ALA H H 1 8.225 0.003 . 1 . 19 . . . 76 ALA HN . 27179 1 707 . 1 . 1 99 99 ALA HA H 1 4.321 0.000 . 1 . 1 . . . 76 ALA HA . 27179 1 708 . 1 . 1 99 99 ALA HB1 H 1 1.416 0.000 . 1 . 1 . . . 76 ALA HB1 . 27179 1 709 . 1 . 1 99 99 ALA HB2 H 1 1.416 0.000 . 1 . 1 . . . 76 ALA HB2 . 27179 1 710 . 1 . 1 99 99 ALA HB3 H 1 1.416 0.000 . 1 . 1 . . . 76 ALA HB3 . 27179 1 711 . 1 . 1 99 99 ALA C C 13 177.793 0.000 . 1 . 1 . . . 76 ALA C . 27179 1 712 . 1 . 1 99 99 ALA CA C 13 52.978 0.016 . 1 . 7 . . . 76 ALA CA . 27179 1 713 . 1 . 1 99 99 ALA CB C 13 19.204 0.034 . 1 . 4 . . . 76 ALA CB . 27179 1 714 . 1 . 1 99 99 ALA N N 15 125.521 0.025 . 1 . 19 . . . 76 ALA N . 27179 1 715 . 1 . 1 100 100 ARG H H 1 8.123 0.002 . 1 . 19 . . . 77 ARG HN . 27179 1 716 . 1 . 1 100 100 ARG HA H 1 4.395 0.000 . 1 . 1 . . . 77 ARG HA . 27179 1 717 . 1 . 1 100 100 ARG HB2 H 1 1.866 0.000 . 2 . 1 . . . 77 ARG HB2 . 27179 1 718 . 1 . 1 100 100 ARG HB3 H 1 1.866 0.000 . 2 . 1 . . . 77 ARG HB3 . 27179 1 719 . 1 . 1 100 100 ARG HG2 H 1 1.773 0.000 . 2 . 1 . . . 77 ARG HG2 . 27179 1 720 . 1 . 1 100 100 ARG HG3 H 1 1.773 0.000 . 2 . 1 . . . 77 ARG HG3 . 27179 1 721 . 1 . 1 100 100 ARG HD2 H 1 3.185 0.000 . 2 . 1 . . . 77 ARG HD2 . 27179 1 722 . 1 . 1 100 100 ARG HD3 H 1 3.185 0.000 . 2 . 1 . . . 77 ARG HD3 . 27179 1 723 . 1 . 1 100 100 ARG C C 13 176.476 0.000 . 1 . 1 . . . 77 ARG C . 27179 1 724 . 1 . 1 100 100 ARG CA C 13 56.399 0.024 . 1 . 4 . . . 77 ARG CA . 27179 1 725 . 1 . 1 100 100 ARG CB C 13 30.699 0.025 . 1 . 2 . . . 77 ARG CB . 27179 1 726 . 1 . 1 100 100 ARG CG C 13 27.253 0.000 . 1 . 1 . . . 77 ARG CG . 27179 1 727 . 1 . 1 100 100 ARG CD C 13 43.479 0.000 . 1 . 1 . . . 77 ARG CD . 27179 1 728 . 1 . 1 100 100 ARG N N 15 119.390 0.032 . 1 . 19 . . . 77 ARG N . 27179 1 729 . 1 . 1 101 101 ARG H H 1 8.225 0.006 . 1 . 19 . . . 78 ARG HN . 27179 1 730 . 1 . 1 101 101 ARG HA H 1 4.331 0.000 . 1 . 1 . . . 78 ARG HA . 27179 1 731 . 1 . 1 101 101 ARG HB2 H 1 1.797 0.000 . 1 . 1 . . . 78 ARG HB2 . 27179 1 732 . 1 . 1 101 101 ARG HB3 H 1 1.884 0.000 . 1 . 1 . . . 78 ARG HB3 . 27179 1 733 . 1 . 1 101 101 ARG HG2 H 1 1.648 0.000 . 2 . 1 . . . 78 ARG HG2 . 27179 1 734 . 1 . 1 101 101 ARG HG3 H 1 1.648 0.000 . 2 . 1 . . . 78 ARG HG3 . 27179 1 735 . 1 . 1 101 101 ARG HD2 H 1 3.219 0.000 . 2 . 1 . . . 78 ARG HD2 . 27179 1 736 . 1 . 1 101 101 ARG HD3 H 1 3.219 0.000 . 2 . 1 . . . 78 ARG HD3 . 27179 1 737 . 1 . 1 101 101 ARG C C 13 176.439 0.000 . 1 . 1 . . . 78 ARG C . 27179 1 738 . 1 . 1 101 101 ARG CA C 13 56.419 0.024 . 1 . 6 . . . 78 ARG CA . 27179 1 739 . 1 . 1 101 101 ARG CB C 13 30.715 0.022 . 1 . 4 . . . 78 ARG CB . 27179 1 740 . 1 . 1 101 101 ARG CG C 13 27.260 0.000 . 1 . 1 . . . 78 ARG CG . 27179 1 741 . 1 . 1 101 101 ARG CD C 13 43.440 0.000 . 1 . 1 . . . 78 ARG CD . 27179 1 742 . 1 . 1 101 101 ARG N N 15 121.865 0.000 . 1 . 1 . . . 78 ARG N . 27179 1 743 . 1 . 1 102 102 MET H H 1 8.350 0.008 . 1 . 21 . . . 79 MET HN . 27179 1 744 . 1 . 1 102 102 MET C C 13 176.226 0.000 . 1 . 1 . . . 79 MET C . 27179 1 745 . 1 . 1 102 102 MET CA C 13 55.732 0.004 . 1 . 4 . . . 79 MET CA . 27179 1 746 . 1 . 1 102 102 MET CB C 13 32.959 0.013 . 1 . 3 . . . 79 MET CB . 27179 1 747 . 1 . 1 102 102 MET N N 15 121.444 0.077 . 1 . 21 . . . 79 MET N . 27179 1 748 . 1 . 1 103 103 GLU H H 1 8.388 0.010 . 1 . 13 . . . 80 GLU HN . 27179 1 749 . 1 . 1 103 103 GLU HA H 1 4.404 0.000 . 1 . 1 . . . 80 GLU HA . 27179 1 750 . 1 . 1 103 103 GLU HB2 H 1 2.365 0.000 . 2 . 1 . . . 80 GLU HB2 . 27179 1 751 . 1 . 1 103 103 GLU HB3 H 1 2.365 0.000 . 2 . 1 . . . 80 GLU HB3 . 27179 1 752 . 1 . 1 103 103 GLU HG2 H 1 2.367 0.000 . 2 . 1 . . . 80 GLU HG2 . 27179 1 753 . 1 . 1 103 103 GLU HG3 H 1 2.367 0.000 . 2 . 1 . . . 80 GLU HG3 . 27179 1 754 . 1 . 1 103 103 GLU C C 13 176.395 0.000 . 1 . 1 . . . 80 GLU C . 27179 1 755 . 1 . 1 103 103 GLU CA C 13 56.501 0.077 . 1 . 6 . . . 80 GLU CA . 27179 1 756 . 1 . 1 103 103 GLU CB C 13 29.639 0.004 . 1 . 3 . . . 80 GLU CB . 27179 1 757 . 1 . 1 103 103 GLU CG C 13 35.114 0.000 . 1 . 1 . . . 80 GLU CG . 27179 1 758 . 1 . 1 103 103 GLU N N 15 121.570 0.074 . 1 . 13 . . . 80 GLU N . 27179 1 759 . 1 . 1 104 104 THR H H 1 8.174 0.005 . 1 . 20 . . . 81 THR HN . 27179 1 760 . 1 . 1 104 104 THR HA H 1 4.415 0.000 . 1 . 1 . . . 81 THR HA . 27179 1 761 . 1 . 1 104 104 THR HB H 1 4.273 0.000 . 1 . 1 . . . 81 THR HB . 27179 1 762 . 1 . 1 104 104 THR C C 13 174.730 0.000 . 1 . 1 . . . 81 THR C . 27179 1 763 . 1 . 1 104 104 THR CA C 13 62.066 0.015 . 1 . 4 . . . 81 THR CA . 27179 1 764 . 1 . 1 104 104 THR CB C 13 69.764 0.012 . 1 . 3 . . . 81 THR CB . 27179 1 765 . 1 . 1 104 104 THR N N 15 114.724 0.022 . 1 . 20 . . . 81 THR N . 27179 1 766 . 1 . 1 105 105 THR H H 1 8.110 0.003 . 1 . 15 . . . 82 THR HN . 27179 1 767 . 1 . 1 105 105 THR HA H 1 4.387 0.000 . 1 . 1 . . . 82 THR HA . 27179 1 768 . 1 . 1 105 105 THR HB H 1 4.236 0.000 . 1 . 1 . . . 82 THR HB . 27179 1 769 . 1 . 1 105 105 THR C C 13 174.650 0.000 . 1 . 1 . . . 82 THR C . 27179 1 770 . 1 . 1 105 105 THR CA C 13 62.160 0.091 . 1 . 7 . . . 82 THR CA . 27179 1 771 . 1 . 1 105 105 THR CB C 13 69.846 0.018 . 1 . 4 . . . 82 THR CB . 27179 1 772 . 1 . 1 105 105 THR CG2 C 13 21.563 0.000 . 1 . 1 . . . 82 THR CG2 . 27179 1 773 . 1 . 1 105 105 THR N N 15 116.525 0.025 . 1 . 15 . . . 82 THR N . 27179 1 774 . 1 . 1 106 106 VAL H H 1 8.113 0.004 . 1 . 20 . . . 83 VAL HN . 27179 1 775 . 1 . 1 106 106 VAL HA H 1 4.106 0.000 . 1 . 1 . . . 83 VAL HA . 27179 1 776 . 1 . 1 106 106 VAL HB H 1 2.078 0.000 . 1 . 1 . . . 83 VAL HB . 27179 1 777 . 1 . 1 106 106 VAL HG11 H 1 0.938 0.000 . 2 . 1 . . . 83 VAL HG11 . 27179 1 778 . 1 . 1 106 106 VAL HG12 H 1 0.938 0.000 . 2 . 1 . . . 83 VAL HG12 . 27179 1 779 . 1 . 1 106 106 VAL HG13 H 1 0.938 0.000 . 2 . 1 . . . 83 VAL HG13 . 27179 1 780 . 1 . 1 106 106 VAL HG21 H 1 0.938 0.000 . 2 . 1 . . . 83 VAL HG21 . 27179 1 781 . 1 . 1 106 106 VAL HG22 H 1 0.938 0.000 . 2 . 1 . . . 83 VAL HG22 . 27179 1 782 . 1 . 1 106 106 VAL HG23 H 1 0.938 0.000 . 2 . 1 . . . 83 VAL HG23 . 27179 1 783 . 1 . 1 106 106 VAL C C 13 175.769 0.000 . 1 . 1 . . . 83 VAL C . 27179 1 784 . 1 . 1 106 106 VAL CA C 13 62.625 0.028 . 1 . 7 . . . 83 VAL CA . 27179 1 785 . 1 . 1 106 106 VAL CB C 13 32.707 0.036 . 1 . 4 . . . 83 VAL CB . 27179 1 786 . 1 . 1 106 106 VAL CG1 C 13 20.939 0.000 . 2 . 1 . . . 83 VAL CG1 . 27179 1 787 . 1 . 1 106 106 VAL CG2 C 13 20.939 0.000 . 2 . 1 . . . 83 VAL CG2 . 27179 1 788 . 1 . 1 106 106 VAL N N 15 122.075 0.030 . 1 . 20 . . . 83 VAL N . 27179 1 789 . 1 . 1 107 107 ASN H H 1 8.390 0.004 . 1 . 21 . . . 84 ASN HN . 27179 1 790 . 1 . 1 107 107 ASN HA H 1 4.710 0.000 . 1 . 1 . . . 84 ASN HA . 27179 1 791 . 1 . 1 107 107 ASN HB2 H 1 2.860 0.000 . 1 . 1 . . . 84 ASN HB2 . 27179 1 792 . 1 . 1 107 107 ASN HB3 H 1 2.762 0.000 . 1 . 1 . . . 84 ASN HB3 . 27179 1 793 . 1 . 1 107 107 ASN C C 13 175.115 0.000 . 1 . 1 . . . 84 ASN C . 27179 1 794 . 1 . 1 107 107 ASN CA C 13 53.120 0.020 . 1 . 6 . . . 84 ASN CA . 27179 1 795 . 1 . 1 107 107 ASN CB C 13 38.984 0.034 . 1 . 4 . . . 84 ASN CB . 27179 1 796 . 1 . 1 107 107 ASN N N 15 122.060 0.044 . 1 . 21 . . . 84 ASN N . 27179 1 797 . 1 . 1 108 108 ALA H H 1 8.267 0.003 . 1 . 18 . . . 85 ALA HN . 27179 1 798 . 1 . 1 108 108 ALA HA H 1 4.225 0.000 . 1 . 1 . . . 85 ALA HA . 27179 1 799 . 1 . 1 108 108 ALA HB1 H 1 1.348 0.000 . 1 . 1 . . . 85 ALA HB1 . 27179 1 800 . 1 . 1 108 108 ALA HB2 H 1 1.348 0.000 . 1 . 1 . . . 85 ALA HB2 . 27179 1 801 . 1 . 1 108 108 ALA HB3 H 1 1.348 0.000 . 1 . 1 . . . 85 ALA HB3 . 27179 1 802 . 1 . 1 108 108 ALA C C 13 177.656 0.000 . 1 . 1 . . . 85 ALA C . 27179 1 803 . 1 . 1 108 108 ALA CA C 13 53.114 0.024 . 1 . 6 . . . 85 ALA CA . 27179 1 804 . 1 . 1 108 108 ALA CB C 13 19.173 0.038 . 1 . 4 . . . 85 ALA CB . 27179 1 805 . 1 . 1 108 108 ALA N N 15 124.339 0.019 . 1 . 17 . . . 85 ALA N . 27179 1 806 . 1 . 1 109 109 HIS H H 1 8.391 0.003 . 1 . 19 . . . 86 HIS HN . 27179 1 807 . 1 . 1 109 109 HIS HA H 1 4.648 0.000 . 1 . 1 . . . 86 HIS HA . 27179 1 808 . 1 . 1 109 109 HIS HB2 H 1 3.318 0.000 . 1 . 1 . . . 86 HIS HB2 . 27179 1 809 . 1 . 1 109 109 HIS HB3 H 1 3.214 0.000 . 1 . 1 . . . 86 HIS HB3 . 27179 1 810 . 1 . 1 109 109 HIS C C 13 174.339 0.000 . 1 . 1 . . . 86 HIS C . 27179 1 811 . 1 . 1 109 109 HIS CA C 13 55.547 0.061 . 1 . 7 . . . 86 HIS CA . 27179 1 812 . 1 . 1 109 109 HIS CB C 13 28.729 0.030 . 1 . 4 . . . 86 HIS CB . 27179 1 813 . 1 . 1 109 109 HIS N N 15 116.192 0.038 . 1 . 19 . . . 86 HIS N . 27179 1 814 . 1 . 1 110 110 GLN H H 1 8.188 0.004 . 1 . 20 . . . 87 GLN HN . 27179 1 815 . 1 . 1 110 110 GLN HA H 1 4.362 0.000 . 1 . 1 . . . 87 GLN HA . 27179 1 816 . 1 . 1 110 110 GLN HB2 H 1 2.347 0.000 . 2 . 1 . . . 87 GLN HB2 . 27179 1 817 . 1 . 1 110 110 GLN HB3 H 1 2.347 0.000 . 2 . 1 . . . 87 GLN HB3 . 27179 1 818 . 1 . 1 110 110 GLN HG2 H 1 2.347 0.000 . 2 . 1 . . . 87 GLN HG2 . 27179 1 819 . 1 . 1 110 110 GLN HG3 H 1 2.347 0.000 . 2 . 1 . . . 87 GLN HG3 . 27179 1 820 . 1 . 1 110 110 GLN C C 13 175.657 0.000 . 1 . 1 . . . 87 GLN C . 27179 1 821 . 1 . 1 110 110 GLN CA C 13 56.070 0.029 . 1 . 7 . . . 87 GLN CA . 27179 1 822 . 1 . 1 110 110 GLN CB C 13 29.702 0.011 . 1 . 3 . . . 87 GLN CB . 27179 1 823 . 1 . 1 110 110 GLN CG C 13 33.883 0.000 . 1 . 1 . . . 87 GLN CG . 27179 1 824 . 1 . 1 110 110 GLN N N 15 120.507 0.050 . 1 . 20 . . . 87 GLN N . 27179 1 825 . 1 . 1 111 111 ILE H H 1 8.174 0.005 . 1 . 21 . . . 88 ILE HN . 27179 1 826 . 1 . 1 111 111 ILE HA H 1 4.168 0.000 . 1 . 1 . . . 88 ILE HA . 27179 1 827 . 1 . 1 111 111 ILE HB H 1 1.853 0.000 . 1 . 1 . . . 88 ILE HB . 27179 1 828 . 1 . 1 111 111 ILE HG12 H 1 1.505 0.000 . 1 . 1 . . . 88 ILE HG11 . 27179 1 829 . 1 . 1 111 111 ILE HG13 H 1 1.199 0.000 . 1 . 1 . . . 88 ILE HG12 . 27179 1 830 . 1 . 1 111 111 ILE C C 13 175.864 0.000 . 1 . 1 . . . 88 ILE C . 27179 1 831 . 1 . 1 111 111 ILE CA C 13 61.269 0.020 . 1 . 7 . . . 88 ILE CA . 27179 1 832 . 1 . 1 111 111 ILE CB C 13 38.702 0.044 . 1 . 4 . . . 88 ILE CB . 27179 1 833 . 1 . 1 111 111 ILE CG1 C 13 27.476 0.000 . 1 . 1 . . . 88 ILE CG1 . 27179 1 834 . 1 . 1 111 111 ILE N N 15 121.971 0.049 . 1 . 21 . . . 88 ILE N . 27179 1 835 . 1 . 1 112 112 LEU H H 1 8.250 0.006 . 1 . 21 . . . 89 LEU HN . 27179 1 836 . 1 . 1 112 112 LEU CA C 13 53.710 0.055 . 1 . 2 . . . 89 LEU CA . 27179 1 837 . 1 . 1 112 112 LEU CB C 13 41.571 0.000 . 1 . 1 . . . 89 LEU CB . 27179 1 838 . 1 . 1 112 112 LEU N N 15 126.191 0.064 . 1 . 21 . . . 89 LEU N . 27179 1 839 . 1 . 1 113 113 PRO HA H 1 4.495 0.000 . 1 . 1 . . . 90 PRO HA . 27179 1 840 . 1 . 1 113 113 PRO HB2 H 1 2.281 0.000 . 2 . 1 . . . 90 PRO HB2 . 27179 1 841 . 1 . 1 113 113 PRO HB3 H 1 2.281 0.000 . 2 . 1 . . . 90 PRO HB3 . 27179 1 842 . 1 . 1 113 113 PRO HG2 H 1 2.024 0.000 . 2 . 1 . . . 90 PRO HG2 . 27179 1 843 . 1 . 1 113 113 PRO HG3 H 1 2.024 0.000 . 2 . 1 . . . 90 PRO HG3 . 27179 1 844 . 1 . 1 113 113 PRO HD2 H 1 3.629 0.000 . 1 . 1 . . . 90 PRO HD2 . 27179 1 845 . 1 . 1 113 113 PRO HD3 H 1 3.796 0.000 . 1 . 1 . . . 90 PRO HD3 . 27179 1 846 . 1 . 1 113 113 PRO C C 13 176.913 0.000 . 1 . 1 . . . 90 PRO C . 27179 1 847 . 1 . 1 113 113 PRO CA C 13 63.465 0.034 . 1 . 4 . . . 90 PRO CA . 27179 1 848 . 1 . 1 113 113 PRO CB C 13 32.030 0.033 . 1 . 3 . . . 90 PRO CB . 27179 1 849 . 1 . 1 113 113 PRO CG C 13 27.334 0.000 . 1 . 1 . . . 90 PRO CG . 27179 1 850 . 1 . 1 113 113 PRO CD C 13 50.663 0.000 . 1 . 1 . . . 90 PRO CD . 27179 1 851 . 1 . 1 114 114 LYS H H 1 8.179 0.023 . 1 . 20 . . . 91 LYS HN . 27179 1 852 . 1 . 1 114 114 LYS HA H 1 4.398 0.000 . 1 . 1 . . . 91 LYS HA . 27179 1 853 . 1 . 1 114 114 LYS C C 13 176.910 0.000 . 1 . 1 . . . 91 LYS C . 27179 1 854 . 1 . 1 114 114 LYS CA C 13 56.934 0.031 . 1 . 6 . . . 91 LYS CA . 27179 1 855 . 1 . 1 114 114 LYS CB C 13 32.959 0.023 . 1 . 3 . . . 91 LYS CB . 27179 1 856 . 1 . 1 114 114 LYS N N 15 120.281 0.067 . 1 . 20 . . . 91 LYS N . 27179 1 857 . 1 . 1 115 115 VAL H H 1 7.990 0.005 . 1 . 16 . . . 92 VAL HN . 27179 1 858 . 1 . 1 115 115 VAL HA H 1 4.062 0.000 . 1 . 1 . . . 92 VAL HA . 27179 1 859 . 1 . 1 115 115 VAL HG11 H 1 0.871 0.000 . 2 . 1 . . . 92 VAL HG11 . 27179 1 860 . 1 . 1 115 115 VAL HG12 H 1 0.871 0.000 . 2 . 1 . . . 92 VAL HG12 . 27179 1 861 . 1 . 1 115 115 VAL HG13 H 1 0.871 0.000 . 2 . 1 . . . 92 VAL HG13 . 27179 1 862 . 1 . 1 115 115 VAL HG21 H 1 0.871 0.000 . 2 . 1 . . . 92 VAL HG21 . 27179 1 863 . 1 . 1 115 115 VAL HG22 H 1 0.871 0.000 . 2 . 1 . . . 92 VAL HG22 . 27179 1 864 . 1 . 1 115 115 VAL HG23 H 1 0.871 0.000 . 2 . 1 . . . 92 VAL HG23 . 27179 1 865 . 1 . 1 115 115 VAL C C 13 175.791 0.000 . 1 . 1 . . . 92 VAL C . 27179 1 866 . 1 . 1 115 115 VAL CA C 13 62.520 0.041 . 1 . 7 . . . 92 VAL CA . 27179 1 867 . 1 . 1 115 115 VAL CB C 13 32.705 0.017 . 1 . 3 . . . 92 VAL CB . 27179 1 868 . 1 . 1 115 115 VAL CG1 C 13 20.976 0.000 . 2 . 1 . . . 92 VAL CG1 . 27179 1 869 . 1 . 1 115 115 VAL CG2 C 13 20.976 0.000 . 2 . 1 . . . 92 VAL CG2 . 27179 1 870 . 1 . 1 115 115 VAL N N 15 120.218 0.055 . 1 . 16 . . . 92 VAL N . 27179 1 871 . 1 . 1 116 116 LEU H H 1 8.165 0.006 . 1 . 19 . . . 93 LEU HN . 27179 1 872 . 1 . 1 116 116 LEU HA H 1 4.252 0.000 . 1 . 1 . . . 93 LEU HA . 27179 1 873 . 1 . 1 116 116 LEU HB2 H 1 1.596 0.000 . 2 . 1 . . . 93 LEU HB2 . 27179 1 874 . 1 . 1 116 116 LEU HB3 H 1 1.596 0.000 . 2 . 1 . . . 93 LEU HB3 . 27179 1 875 . 1 . 1 116 116 LEU HG H 1 1.500 0.000 . 1 . 1 . . . 93 LEU HG . 27179 1 876 . 1 . 1 116 116 LEU HD11 H 1 0.906 0.000 . 2 . 1 . . . 93 LEU HD11 . 27179 1 877 . 1 . 1 116 116 LEU HD12 H 1 0.906 0.000 . 2 . 1 . . . 93 LEU HD12 . 27179 1 878 . 1 . 1 116 116 LEU HD13 H 1 0.906 0.000 . 2 . 1 . . . 93 LEU HD13 . 27179 1 879 . 1 . 1 116 116 LEU HD21 H 1 0.906 0.000 . 2 . 1 . . . 93 LEU HD21 . 27179 1 880 . 1 . 1 116 116 LEU HD22 H 1 0.906 0.000 . 2 . 1 . . . 93 LEU HD22 . 27179 1 881 . 1 . 1 116 116 LEU HD23 H 1 0.906 0.000 . 2 . 1 . . . 93 LEU HD23 . 27179 1 882 . 1 . 1 116 116 LEU C C 13 176.874 0.000 . 1 . 1 . . . 93 LEU C . 27179 1 883 . 1 . 1 116 116 LEU CA C 13 55.071 0.033 . 1 . 5 . . . 93 LEU CA . 27179 1 884 . 1 . 1 116 116 LEU CB C 13 42.523 0.017 . 1 . 4 . . . 93 LEU CB . 27179 1 885 . 1 . 1 116 116 LEU CG C 13 27.054 0.000 . 1 . 1 . . . 93 LEU CG . 27179 1 886 . 1 . 1 116 116 LEU CD1 C 13 23.680 0.000 . 1 . 1 . . . 93 LEU CD . 27179 1 887 . 1 . 1 116 116 LEU CD2 C 13 23.680 0.000 . 1 . 1 . . . 93 LEU CD . 27179 1 888 . 1 . 1 116 116 LEU N N 15 124.498 0.070 . 1 . 19 . . . 93 LEU N . 27179 1 889 . 1 . 1 117 117 HIS H H 1 8.341 0.008 . 1 . 21 . . . 94 HIS HN . 27179 1 890 . 1 . 1 117 117 HIS HA H 1 4.700 0.000 . 1 . 1 . . . 94 HIS HA . 27179 1 891 . 1 . 1 117 117 HIS HB2 H 1 3.290 0.000 . 1 . 1 . . . 94 HIS HB2 . 27179 1 892 . 1 . 1 117 117 HIS HB3 H 1 3.191 0.000 . 1 . 1 . . . 94 HIS HB3 . 27179 1 893 . 1 . 1 117 117 HIS C C 13 174.306 0.000 . 1 . 1 . . . 94 HIS C . 27179 1 894 . 1 . 1 117 117 HIS CA C 13 55.264 0.043 . 1 . 7 . . . 94 HIS CA . 27179 1 895 . 1 . 1 117 117 HIS CB C 13 29.017 0.012 . 1 . 4 . . . 94 HIS CB . 27179 1 896 . 1 . 1 117 117 HIS N N 15 118.827 0.030 . 1 . 21 . . . 94 HIS N . 27179 1 897 . 1 . 1 118 118 LYS H H 1 8.310 0.005 . 1 . 20 . . . 95 LYS HN . 27179 1 898 . 1 . 1 118 118 LYS HA H 1 4.302 0.000 . 1 . 1 . . . 95 LYS HA . 27179 1 899 . 1 . 1 118 118 LYS HB2 H 1 1.776 0.000 . 1 . 1 . . . 95 LYS HB2 . 27179 1 900 . 1 . 1 118 118 LYS HB3 H 1 1.847 0.000 . 1 . 1 . . . 95 LYS HB3 . 27179 1 901 . 1 . 1 118 118 LYS HG2 H 1 1.429 0.000 . 2 . 1 . . . 95 LYS HG2 . 27179 1 902 . 1 . 1 118 118 LYS HG3 H 1 1.429 0.000 . 2 . 1 . . . 95 LYS HG3 . 27179 1 903 . 1 . 1 118 118 LYS HD2 H 1 1.715 0.000 . 2 . 1 . . . 95 LYS HD2 . 27179 1 904 . 1 . 1 118 118 LYS HD3 H 1 1.715 0.000 . 2 . 1 . . . 95 LYS HD3 . 27179 1 905 . 1 . 1 118 118 LYS HE2 H 1 2.992 0.000 . 2 . 1 . . . 95 LYS HE2 . 27179 1 906 . 1 . 1 118 118 LYS HE3 H 1 2.992 0.000 . 2 . 1 . . . 95 LYS HE3 . 27179 1 907 . 1 . 1 118 118 LYS C C 13 176.420 0.000 . 1 . 1 . . . 95 LYS C . 27179 1 908 . 1 . 1 118 118 LYS CA C 13 56.711 0.018 . 1 . 7 . . . 95 LYS CA . 27179 1 909 . 1 . 1 118 118 LYS CB C 13 33.258 0.011 . 1 . 4 . . . 95 LYS CB . 27179 1 910 . 1 . 1 118 118 LYS CG C 13 24.870 0.000 . 1 . 1 . . . 95 LYS CG . 27179 1 911 . 1 . 1 118 118 LYS CD C 13 29.126 0.000 . 1 . 1 . . . 95 LYS CD . 27179 1 912 . 1 . 1 118 118 LYS N N 15 122.375 0.041 . 1 . 20 . . . 95 LYS N . 27179 1 913 . 1 . 1 119 119 ARG H H 1 8.434 0.004 . 1 . 25 . . . 96 ARG HN . 27179 1 914 . 1 . 1 119 119 ARG HA H 1 4.409 0.000 . 1 . 1 . . . 96 ARG HA . 27179 1 915 . 1 . 1 119 119 ARG HB2 H 1 1.693 0.000 . 1 . 1 . . . 96 ARG HB2 . 27179 1 916 . 1 . 1 119 119 ARG HB3 H 1 1.898 0.000 . 1 . 1 . . . 96 ARG HB3 . 27179 1 917 . 1 . 1 119 119 ARG HG2 H 1 1.660 0.000 . 2 . 1 . . . 96 ARG HG2 . 27179 1 918 . 1 . 1 119 119 ARG HG3 H 1 1.660 0.000 . 2 . 1 . . . 96 ARG HG3 . 27179 1 919 . 1 . 1 119 119 ARG HD2 H 1 3.227 0.000 . 2 . 1 . . . 96 ARG HD2 . 27179 1 920 . 1 . 1 119 119 ARG HD3 H 1 3.227 0.000 . 2 . 1 . . . 96 ARG HD3 . 27179 1 921 . 1 . 1 119 119 ARG C C 13 176.280 0.000 . 1 . 1 . . . 96 ARG C . 27179 1 922 . 1 . 1 119 119 ARG CA C 13 56.371 0.019 . 1 . 7 . . . 96 ARG CA . 27179 1 923 . 1 . 1 119 119 ARG CB C 13 30.953 0.011 . 1 . 4 . . . 96 ARG CB . 27179 1 924 . 1 . 1 119 119 ARG CG C 13 27.344 0.000 . 1 . 1 . . . 96 ARG CG . 27179 1 925 . 1 . 1 119 119 ARG CD C 13 43.508 0.000 . 1 . 1 . . . 96 ARG CD . 27179 1 926 . 1 . 1 119 119 ARG N N 15 122.280 0.033 . 1 . 25 . . . 96 ARG N . 27179 1 927 . 1 . 1 120 120 THR H H 1 8.134 0.005 . 1 . 24 . . . 97 THR HN . 27179 1 928 . 1 . 1 120 120 THR HA H 1 4.223 0.000 . 1 . 1 . . . 97 THR HA . 27179 1 929 . 1 . 1 120 120 THR HB H 1 4.223 0.000 . 1 . 1 . . . 97 THR HB . 27179 1 930 . 1 . 1 120 120 THR C C 13 174.322 0.000 . 1 . 1 . . . 97 THR C . 27179 1 931 . 1 . 1 120 120 THR CA C 13 61.814 0.027 . 1 . 6 . . . 97 THR CA . 27179 1 932 . 1 . 1 120 120 THR CB C 13 69.824 0.014 . 1 . 4 . . . 97 THR CB . 27179 1 933 . 1 . 1 120 120 THR N N 15 115.435 0.038 . 1 . 24 . . . 97 THR N . 27179 1 934 . 1 . 1 121 121 LEU H H 1 8.272 0.008 . 1 . 17 . . . 98 LEU HN . 27179 1 935 . 1 . 1 121 121 LEU HA H 1 4.269 0.000 . 1 . 1 . . . 98 LEU HA . 27179 1 936 . 1 . 1 121 121 LEU HB2 H 1 1.668 0.000 . 2 . 1 . . . 98 LEU HB2 . 27179 1 937 . 1 . 1 121 121 LEU HB3 H 1 1.668 0.000 . 2 . 1 . . . 98 LEU HB3 . 27179 1 938 . 1 . 1 121 121 LEU HG H 1 1.603 0.000 . 1 . 1 . . . 98 LEU HG . 27179 1 939 . 1 . 1 121 121 LEU HD11 H 1 0.897 0.000 . 2 . 1 . . . 98 LEU HD11 . 27179 1 940 . 1 . 1 121 121 LEU HD12 H 1 0.897 0.000 . 2 . 1 . . . 98 LEU HD12 . 27179 1 941 . 1 . 1 121 121 LEU HD13 H 1 0.897 0.000 . 2 . 1 . . . 98 LEU HD13 . 27179 1 942 . 1 . 1 121 121 LEU HD21 H 1 0.897 0.000 . 2 . 1 . . . 98 LEU HD21 . 27179 1 943 . 1 . 1 121 121 LEU HD22 H 1 0.897 0.000 . 2 . 1 . . . 98 LEU HD22 . 27179 1 944 . 1 . 1 121 121 LEU HD23 H 1 0.897 0.000 . 2 . 1 . . . 98 LEU HD23 . 27179 1 945 . 1 . 1 121 121 LEU C C 13 177.257 0.000 . 1 . 1 . . . 98 LEU C . 27179 1 946 . 1 . 1 121 121 LEU CA C 13 55.420 0.043 . 1 . 7 . . . 98 LEU CA . 27179 1 947 . 1 . 1 121 121 LEU CB C 13 42.730 0.015 . 1 . 4 . . . 98 LEU CB . 27179 1 948 . 1 . 1 121 121 LEU CG C 13 27.230 0.000 . 1 . 1 . . . 98 LEU CG . 27179 1 949 . 1 . 1 121 121 LEU CD1 C 13 23.804 0.000 . 1 . 1 . . . 98 LEU CD1 . 27179 1 950 . 1 . 1 121 121 LEU CD2 C 13 25.023 0.000 . 1 . 1 . . . 98 LEU CD2 . 27179 1 951 . 1 . 1 121 121 LEU N N 15 124.125 0.028 . 1 . 18 . . . 98 LEU N . 27179 1 952 . 1 . 1 122 122 GLY H H 1 8.273 0.003 . 1 . 24 . . . 99 GLY HN . 27179 1 953 . 1 . 1 122 122 GLY HA2 H 1 3.965 0.000 . 2 . 1 . . . 99 GLY HA1 . 27179 1 954 . 1 . 1 122 122 GLY HA3 H 1 3.965 0.000 . 2 . 1 . . . 99 GLY HA2 . 27179 1 955 . 1 . 1 122 122 GLY C C 13 174.441 0.000 . 1 . 1 . . . 99 GLY C . 27179 1 956 . 1 . 1 122 122 GLY CA C 13 45.500 0.013 . 1 . 7 . . . 99 GLY CA . 27179 1 957 . 1 . 1 122 122 GLY N N 15 108.682 0.049 . 1 . 23 . . . 99 GLY N . 27179 1 958 . 1 . 1 123 123 LEU H H 1 8.167 0.003 . 1 . 15 . . . 100 LEU HN . 27179 1 959 . 1 . 1 123 123 LEU HA H 1 4.405 0.000 . 1 . 1 . . . 100 LEU HA . 27179 1 960 . 1 . 1 123 123 LEU HB2 H 1 1.675 0.000 . 2 . 1 . . . 100 LEU HB2 . 27179 1 961 . 1 . 1 123 123 LEU HB3 H 1 1.675 0.000 . 2 . 1 . . . 100 LEU HB3 . 27179 1 962 . 1 . 1 123 123 LEU HG H 1 1.610 0.000 . 1 . 1 . . . 100 LEU HG . 27179 1 963 . 1 . 1 123 123 LEU HD11 H 1 0.868 0.000 . 2 . 1 . . . 100 LEU HD11 . 27179 1 964 . 1 . 1 123 123 LEU HD12 H 1 0.868 0.000 . 2 . 1 . . . 100 LEU HD12 . 27179 1 965 . 1 . 1 123 123 LEU HD13 H 1 0.868 0.000 . 2 . 1 . . . 100 LEU HD13 . 27179 1 966 . 1 . 1 123 123 LEU HD21 H 1 0.868 0.000 . 2 . 1 . . . 100 LEU HD21 . 27179 1 967 . 1 . 1 123 123 LEU HD22 H 1 0.868 0.000 . 2 . 1 . . . 100 LEU HD22 . 27179 1 968 . 1 . 1 123 123 LEU HD23 H 1 0.868 0.000 . 2 . 1 . . . 100 LEU HD23 . 27179 1 969 . 1 . 1 123 123 LEU C C 13 177.716 0.000 . 1 . 1 . . . 100 LEU C . 27179 1 970 . 1 . 1 123 123 LEU CA C 13 55.971 0.041 . 1 . 6 . . . 100 LEU CA . 27179 1 971 . 1 . 1 123 123 LEU CB C 13 42.494 0.029 . 1 . 4 . . . 100 LEU CB . 27179 1 972 . 1 . 1 123 123 LEU CG C 13 27.165 0.000 . 1 . 1 . . . 100 LEU CG . 27179 1 973 . 1 . 1 123 123 LEU CD1 C 13 25.344 0.000 . 1 . 1 . . . 100 LEU CD1 . 27179 1 974 . 1 . 1 123 123 LEU CD2 C 13 23.708 0.000 . 1 . 1 . . . 100 LEU CD2 . 27179 1 975 . 1 . 1 123 123 LEU N N 15 121.316 0.033 . 1 . 15 . . . 100 LEU N . 27179 1 976 . 1 . 1 124 124 SER H H 1 8.258 0.008 . 1 . 23 . . . 101 SER HN . 27179 1 977 . 1 . 1 124 124 SER HA H 1 4.362 0.000 . 1 . 1 . . . 101 SER HA . 27179 1 978 . 1 . 1 124 124 SER HB2 H 1 3.932 0.000 . 2 . 1 . . . 101 SER HB2 . 27179 1 979 . 1 . 1 124 124 SER HB3 H 1 3.932 0.000 . 2 . 1 . . . 101 SER HB3 . 27179 1 980 . 1 . 1 124 124 SER C C 13 174.337 0.000 . 1 . 1 . . . 101 SER C . 27179 1 981 . 1 . 1 124 124 SER CA C 13 59.211 0.026 . 1 . 6 . . . 101 SER CA . 27179 1 982 . 1 . 1 124 124 SER CB C 13 63.789 0.037 . 1 . 4 . . . 101 SER CB . 27179 1 983 . 1 . 1 124 124 SER N N 15 114.343 0.055 . 1 . 23 . . . 101 SER N . 27179 1 984 . 1 . 1 125 125 ALA H H 1 8.068 0.011 . 1 . 17 . . . 102 ALA HN . 27179 1 985 . 1 . 1 125 125 ALA HA H 1 4.384 0.000 . 1 . 1 . . . 102 ALA HA . 27179 1 986 . 1 . 1 125 125 ALA HB1 H 1 1.422 0.000 . 1 . 1 . . . 102 ALA HB1 . 27179 1 987 . 1 . 1 125 125 ALA HB2 H 1 1.422 0.000 . 1 . 1 . . . 102 ALA HB2 . 27179 1 988 . 1 . 1 125 125 ALA HB3 H 1 1.422 0.000 . 1 . 1 . . . 102 ALA HB3 . 27179 1 989 . 1 . 1 125 125 ALA C C 13 177.606 0.000 . 1 . 1 . . . 102 ALA C . 27179 1 990 . 1 . 1 125 125 ALA CA C 13 52.614 0.033 . 1 . 5 . . . 102 ALA CA . 27179 1 991 . 1 . 1 125 125 ALA CB C 13 19.416 0.015 . 1 . 4 . . . 102 ALA CB . 27179 1 992 . 1 . 1 125 125 ALA N N 15 124.024 0.023 . 1 . 17 . . . 102 ALA N . 27179 1 993 . 1 . 1 126 126 MET H H 1 7.924 0.006 . 1 . 17 . . . 103 MET HN . 27179 1 994 . 1 . 1 126 126 MET C C 13 175.662 0.000 . 1 . 1 . . . 103 MET C . 27179 1 995 . 1 . 1 126 126 MET CA C 13 55.962 0.024 . 1 . 4 . . . 103 MET CA . 27179 1 996 . 1 . 1 126 126 MET CB C 13 34.062 0.020 . 1 . 3 . . . 103 MET CB . 27179 1 997 . 1 . 1 126 126 MET N N 15 118.404 0.055 . 1 . 17 . . . 103 MET N . 27179 1 998 . 1 . 1 127 127 SER H H 1 8.529 0.006 . 1 . 13 . . . 104 SER HN . 27179 1 999 . 1 . 1 127 127 SER CA C 13 57.725 0.000 . 1 . 1 . . . 104 SER CA . 27179 1 1000 . 1 . 1 127 127 SER CB C 13 64.887 0.000 . 1 . 1 . . . 104 SER CB . 27179 1 1001 . 1 . 1 127 127 SER N N 15 116.870 0.038 . 1 . 13 . . . 104 SER N . 27179 1 1002 . 1 . 1 128 128 THR H H 1 8.191 0.002 . 1 . 3 . . . 105 THR HN . 27179 1 1003 . 1 . 1 128 128 THR N N 15 115.255 0.027 . 1 . 3 . . . 105 THR N . 27179 1 1004 . 1 . 1 144 144 GLU C C 13 174.176 0.000 . 1 . 1 . . . 121 GLU C . 27179 1 1005 . 1 . 1 144 144 GLU CA C 13 55.154 0.013 . 1 . 2 . . . 121 GLU CA . 27179 1 1006 . 1 . 1 144 144 GLU CB C 13 28.885 0.000 . 1 . 1 . . . 121 GLU CB . 27179 1 1007 . 1 . 1 145 145 GLU H H 1 8.497 0.002 . 1 . 8 . . . 122 GLU HN . 27179 1 1008 . 1 . 1 145 145 GLU CA C 13 55.186 0.029 . 1 . 2 . . . 122 GLU CA . 27179 1 1009 . 1 . 1 145 145 GLU CB C 13 29.004 0.000 . 1 . 1 . . . 122 GLU CB . 27179 1 1010 . 1 . 1 145 145 GLU N N 15 119.114 0.018 . 1 . 8 . . . 122 GLU N . 27179 1 1011 . 1 . 1 152 152 LEU H H 1 8.013 0.000 . 1 . 1 . . . 129 LEU HN . 27179 1 1012 . 1 . 1 152 152 LEU N N 15 121.813 0.000 . 1 . 1 . . . 129 LEU N . 27179 1 1013 . 1 . 1 157 157 LEU HA H 1 4.454 0.000 . 1 . 1 . . . 134 LEU HA . 27179 1 1014 . 1 . 1 157 157 LEU HB2 H 1 1.832 0.000 . 1 . 1 . . . 134 LEU HB . 27179 1 1015 . 1 . 1 157 157 LEU HB3 H 1 1.832 0.000 . 1 . 1 . . . 134 LEU HB . 27179 1 1016 . 1 . 1 157 157 LEU HG H 1 1.630 0.000 . 1 . 1 . . . 134 LEU HG . 27179 1 1017 . 1 . 1 157 157 LEU C C 13 178.308 0.000 . 1 . 1 . . . 134 LEU C . 27179 1 1018 . 1 . 1 157 157 LEU CA C 13 56.132 0.037 . 1 . 4 . . . 134 LEU CA . 27179 1 1019 . 1 . 1 157 157 LEU CB C 13 42.184 0.010 . 1 . 3 . . . 134 LEU CB . 27179 1 1020 . 1 . 1 158 158 GLY H H 1 8.129 0.004 . 1 . 17 . . . 135 GLY HN . 27179 1 1021 . 1 . 1 158 158 GLY HA2 H 1 3.966 0.000 . 2 . 1 . . . 135 GLY HA1 . 27179 1 1022 . 1 . 1 158 158 GLY HA3 H 1 3.966 0.000 . 2 . 1 . . . 135 GLY HA2 . 27179 1 1023 . 1 . 1 158 158 GLY C C 13 175.011 0.000 . 1 . 1 . . . 135 GLY C . 27179 1 1024 . 1 . 1 158 158 GLY CA C 13 45.930 0.009 . 1 . 6 . . . 135 GLY CA . 27179 1 1025 . 1 . 1 158 158 GLY N N 15 107.136 0.034 . 1 . 17 . . . 135 GLY N . 27179 1 1026 . 1 . 1 159 159 GLY H H 1 8.115 0.002 . 1 . 13 . . . 136 GLY HN . 27179 1 1027 . 1 . 1 159 159 GLY HA2 H 1 3.960 0.000 . 2 . 1 . . . 136 GLY HA1 . 27179 1 1028 . 1 . 1 159 159 GLY HA3 H 1 3.960 0.000 . 2 . 1 . . . 136 GLY HA2 . 27179 1 1029 . 1 . 1 159 159 GLY C C 13 174.497 0.000 . 1 . 1 . . . 136 GLY C . 27179 1 1030 . 1 . 1 159 159 GLY CA C 13 45.714 0.055 . 1 . 5 . . . 136 GLY CA . 27179 1 1031 . 1 . 1 159 159 GLY N N 15 108.095 0.049 . 1 . 13 . . . 136 GLY N . 27179 1 1032 . 1 . 1 160 160 SER H H 1 8.157 0.003 . 1 . 15 . . . 137 SER HN . 27179 1 1033 . 1 . 1 160 160 SER HA H 1 4.377 0.000 . 1 . 1 . . . 137 SER HA . 27179 1 1034 . 1 . 1 160 160 SER HB2 H 1 3.881 0.000 . 2 . 1 . . . 137 SER HB1 . 27179 1 1035 . 1 . 1 160 160 SER HB3 H 1 3.881 0.000 . 2 . 1 . . . 137 SER HB2 . 27179 1 1036 . 1 . 1 160 160 SER C C 13 174.856 0.000 . 1 . 1 . . . 137 SER C . 27179 1 1037 . 1 . 1 160 160 SER CA C 13 58.861 0.022 . 1 . 7 . . . 137 SER CA . 27179 1 1038 . 1 . 1 160 160 SER CB C 13 63.787 0.052 . 1 . 4 . . . 137 SER CB . 27179 1 1039 . 1 . 1 160 160 SER N N 15 115.184 0.067 . 1 . 15 . . . 137 SER N . 27179 1 1040 . 1 . 1 161 161 ARG H H 1 8.186 0.005 . 1 . 19 . . . 138 ARG HN . 27179 1 1041 . 1 . 1 161 161 ARG HA H 1 4.294 0.000 . 1 . 1 . . . 138 ARG HA . 27179 1 1042 . 1 . 1 161 161 ARG HB2 H 1 1.744 0.000 . 2 . 1 . . . 138 ARG HB2 . 27179 1 1043 . 1 . 1 161 161 ARG HB3 H 1 1.744 0.000 . 2 . 1 . . . 138 ARG HB3 . 27179 1 1044 . 1 . 1 161 161 ARG HG2 H 1 1.606 0.000 . 2 . 1 . . . 138 ARG HG2 . 27179 1 1045 . 1 . 1 161 161 ARG HG3 H 1 1.606 0.000 . 2 . 1 . . . 138 ARG HG3 . 27179 1 1046 . 1 . 1 161 161 ARG HD2 H 1 3.190 0.000 . 2 . 1 . . . 138 ARG HD2 . 27179 1 1047 . 1 . 1 161 161 ARG HD3 H 1 3.190 0.000 . 2 . 1 . . . 138 ARG HD3 . 27179 1 1048 . 1 . 1 161 161 ARG C C 13 176.196 0.000 . 1 . 1 . . . 138 ARG C . 27179 1 1049 . 1 . 1 161 161 ARG CA C 13 56.449 0.031 . 1 . 7 . . . 138 ARG CA . 27179 1 1050 . 1 . 1 161 161 ARG CB C 13 30.449 0.003 . 1 . 4 . . . 138 ARG CB . 27179 1 1051 . 1 . 1 161 161 ARG CG C 13 27.282 0.000 . 1 . 1 . . . 138 ARG CG . 27179 1 1052 . 1 . 1 161 161 ARG CD C 13 43.403 0.000 . 1 . 1 . . . 138 ARG CD . 27179 1 1053 . 1 . 1 161 161 ARG N N 15 121.439 0.020 . 1 . 19 . . . 138 ARG N . 27179 1 1054 . 1 . 1 162 162 HIS H H 1 8.294 0.005 . 1 . 25 . . . 139 HIS HN . 27179 1 1055 . 1 . 1 162 162 HIS HA H 1 4.684 0.000 . 1 . 1 . . . 139 HIS HA . 27179 1 1056 . 1 . 1 162 162 HIS HB2 H 1 3.289 0.000 . 2 . 1 . . . 139 HIS HB2 . 27179 1 1057 . 1 . 1 162 162 HIS HB3 H 1 3.289 0.000 . 2 . 1 . . . 139 HIS HB3 . 27179 1 1058 . 1 . 1 162 162 HIS C C 13 174.074 0.000 . 1 . 1 . . . 139 HIS C . 27179 1 1059 . 1 . 1 162 162 HIS CA C 13 55.348 0.042 . 1 . 7 . . . 139 HIS CA . 27179 1 1060 . 1 . 1 162 162 HIS CB C 13 29.058 0.013 . 1 . 4 . . . 139 HIS CB . 27179 1 1061 . 1 . 1 162 162 HIS N N 15 118.264 0.021 . 1 . 24 . . . 139 HIS N . 27179 1 1062 . 1 . 1 163 163 LYS H H 1 8.234 0.004 . 1 . 19 . . . 140 LYS HN . 27179 1 1063 . 1 . 1 163 163 LYS HA H 1 4.321 0.000 . 1 . 1 . . . 140 LYS HA . 27179 1 1064 . 1 . 1 163 163 LYS HB2 H 1 1.821 0.000 . 2 . 1 . . . 140 LYS HB2 . 27179 1 1065 . 1 . 1 163 163 LYS HB3 H 1 1.821 0.000 . 2 . 1 . . . 140 LYS HB3 . 27179 1 1066 . 1 . 1 163 163 LYS HG2 H 1 1.422 0.000 . 2 . 1 . . . 140 LYS HG2 . 27179 1 1067 . 1 . 1 163 163 LYS HG3 H 1 1.422 0.000 . 2 . 1 . . . 140 LYS HG3 . 27179 1 1068 . 1 . 1 163 163 LYS HD2 H 1 1.730 0.000 . 2 . 1 . . . 140 LYS HD2 . 27179 1 1069 . 1 . 1 163 163 LYS HD3 H 1 1.730 0.000 . 2 . 1 . . . 140 LYS HD3 . 27179 1 1070 . 1 . 1 163 163 LYS C C 13 176.136 0.000 . 1 . 1 . . . 140 LYS C . 27179 1 1071 . 1 . 1 163 163 LYS CA C 13 56.446 0.030 . 1 . 7 . . . 140 LYS CA . 27179 1 1072 . 1 . 1 163 163 LYS CB C 13 33.252 0.004 . 1 . 4 . . . 140 LYS CB . 27179 1 1073 . 1 . 1 163 163 LYS CG C 13 24.804 0.000 . 1 . 1 . . . 140 LYS CG . 27179 1 1074 . 1 . 1 163 163 LYS CD C 13 29.129 0.000 . 1 . 1 . . . 140 LYS CD . 27179 1 1075 . 1 . 1 163 163 LYS N N 15 121.893 0.032 . 1 . 19 . . . 140 LYS N . 27179 1 1076 . 1 . 1 164 164 LEU H H 1 8.302 0.005 . 1 . 24 . . . 141 LEU HN . 27179 1 1077 . 1 . 1 164 164 LEU HA H 1 4.330 0.000 . 1 . 1 . . . 141 LEU HA . 27179 1 1078 . 1 . 1 164 164 LEU HB2 H 1 1.648 0.000 . 2 . 1 . . . 141 LEU HB2 . 27179 1 1079 . 1 . 1 164 164 LEU HB3 H 1 1.648 0.000 . 2 . 1 . . . 141 LEU HB3 . 27179 1 1080 . 1 . 1 164 164 LEU HG H 1 1.648 0.000 . 1 . 1 . . . 141 LEU HG . 27179 1 1081 . 1 . 1 164 164 LEU HD11 H 1 0.937 0.000 . 2 . 1 . . . 141 LEU HD11 . 27179 1 1082 . 1 . 1 164 164 LEU HD12 H 1 0.937 0.000 . 2 . 1 . . . 141 LEU HD12 . 27179 1 1083 . 1 . 1 164 164 LEU HD13 H 1 0.937 0.000 . 2 . 1 . . . 141 LEU HD13 . 27179 1 1084 . 1 . 1 164 164 LEU HD21 H 1 0.937 0.000 . 2 . 1 . . . 141 LEU HD21 . 27179 1 1085 . 1 . 1 164 164 LEU HD22 H 1 0.937 0.000 . 2 . 1 . . . 141 LEU HD22 . 27179 1 1086 . 1 . 1 164 164 LEU HD23 H 1 0.937 0.000 . 2 . 1 . . . 141 LEU HD23 . 27179 1 1087 . 1 . 1 164 164 LEU C C 13 176.990 0.000 . 1 . 1 . . . 141 LEU C . 27179 1 1088 . 1 . 1 164 164 LEU CA C 13 55.374 0.060 . 1 . 7 . . . 141 LEU CA . 27179 1 1089 . 1 . 1 164 164 LEU CB C 13 42.473 0.041 . 1 . 5 . . . 141 LEU CB . 27179 1 1090 . 1 . 1 164 164 LEU CG C 13 27.132 0.000 . 1 . 1 . . . 141 LEU CG . 27179 1 1091 . 1 . 1 164 164 LEU CD1 C 13 23.870 0.000 . 1 . 1 . . . 141 LEU CD1 . 27179 1 1092 . 1 . 1 164 164 LEU N N 15 123.512 0.059 . 1 . 24 . . . 141 LEU N . 27179 1 1093 . 1 . 1 165 165 VAL H H 1 8.034 0.005 . 1 . 23 . . . 142 VAL HN . 27179 1 1094 . 1 . 1 165 165 VAL HA H 1 4.202 0.000 . 1 . 1 . . . 142 VAL HA . 27179 1 1095 . 1 . 1 165 165 VAL HB H 1 2.110 0.000 . 1 . 1 . . . 142 VAL HB . 27179 1 1096 . 1 . 1 165 165 VAL HG11 H 1 0.952 0.000 . 2 . 1 . . . 142 VAL HG11 . 27179 1 1097 . 1 . 1 165 165 VAL HG12 H 1 0.952 0.000 . 2 . 1 . . . 142 VAL HG12 . 27179 1 1098 . 1 . 1 165 165 VAL HG13 H 1 0.952 0.000 . 2 . 1 . . . 142 VAL HG13 . 27179 1 1099 . 1 . 1 165 165 VAL HG21 H 1 0.952 0.000 . 2 . 1 . . . 142 VAL HG21 . 27179 1 1100 . 1 . 1 165 165 VAL HG22 H 1 0.952 0.000 . 2 . 1 . . . 142 VAL HG22 . 27179 1 1101 . 1 . 1 165 165 VAL HG23 H 1 0.952 0.000 . 2 . 1 . . . 142 VAL HG23 . 27179 1 1102 . 1 . 1 165 165 VAL C C 13 175.725 0.047 . 1 . 2 . . . 142 VAL C . 27179 1 1103 . 1 . 1 165 165 VAL CA C 13 62.067 0.028 . 1 . 7 . . . 142 VAL CA . 27179 1 1104 . 1 . 1 165 165 VAL CB C 13 33.029 0.020 . 1 . 4 . . . 142 VAL CB . 27179 1 1105 . 1 . 1 165 165 VAL CG1 C 13 21.282 0.000 . 1 . 1 . . . 142 VAL CG1 . 27179 1 1106 . 1 . 1 165 165 VAL CG2 C 13 20.458 0.000 . 1 . 1 . . . 142 VAL CG2 . 27179 1 1107 . 1 . 1 165 165 VAL N N 15 119.953 0.042 . 1 . 23 . . . 142 VAL N . 27179 1 1108 . 1 . 1 166 166 SER H H 1 8.218 0.004 . 1 . 24 . . . 143 SER HN . 27179 1 1109 . 1 . 1 166 166 SER HA H 1 4.473 0.000 . 1 . 1 . . . 143 SER HA . 27179 1 1110 . 1 . 1 166 166 SER HB2 H 1 3.821 0.000 . 2 . 1 . . . 143 SER HB2 . 27179 1 1111 . 1 . 1 166 166 SER HB3 H 1 3.821 0.000 . 2 . 1 . . . 143 SER HB3 . 27179 1 1112 . 1 . 1 166 166 SER C C 13 173.518 0.000 . 1 . 1 . . . 143 SER C . 27179 1 1113 . 1 . 1 166 166 SER CA C 13 58.016 0.017 . 1 . 7 . . . 143 SER CA . 27179 1 1114 . 1 . 1 166 166 SER CB C 13 64.050 0.028 . 1 . 4 . . . 143 SER CB . 27179 1 1115 . 1 . 1 166 166 SER N N 15 118.807 0.037 . 1 . 24 . . . 143 SER N . 27179 1 1116 . 1 . 1 167 167 ALA H H 1 8.161 0.004 . 1 . 18 . . . 144 ALA HN . 27179 1 1117 . 1 . 1 167 167 ALA CA C 13 50.467 0.007 . 1 . 2 . . . 144 ALA CA . 27179 1 1118 . 1 . 1 167 167 ALA CB C 13 18.548 0.000 . 1 . 1 . . . 144 ALA CB . 27179 1 1119 . 1 . 1 167 167 ALA N N 15 126.598 0.057 . 1 . 18 . . . 144 ALA N . 27179 1 1120 . 1 . 1 168 168 PRO HA H 1 4.426 0.000 . 1 . 1 . . . 145 PRO HA . 27179 1 1121 . 1 . 1 168 168 PRO HB2 H 1 2.019 0.000 . 1 . 1 . . . 145 PRO HB2 . 27179 1 1122 . 1 . 1 168 168 PRO HB3 H 1 2.256 0.000 . 1 . 1 . . . 145 PRO HB3 . 27179 1 1123 . 1 . 1 168 168 PRO HG2 H 1 2.019 0.000 . 2 . 1 . . . 145 PRO HG2 . 27179 1 1124 . 1 . 1 168 168 PRO HG3 H 1 2.019 0.000 . 2 . 1 . . . 145 PRO HG3 . 27179 1 1125 . 1 . 1 168 168 PRO HD2 H 1 3.626 0.000 . 2 . 1 . . . 145 PRO HD2 . 27179 1 1126 . 1 . 1 168 168 PRO HD3 H 1 3.626 0.000 . 2 . 1 . . . 145 PRO HD3 . 27179 1 1127 . 1 . 1 168 168 PRO C C 13 176.111 0.000 . 1 . 1 . . . 145 PRO C . 27179 1 1128 . 1 . 1 168 168 PRO CA C 13 62.910 0.031 . 1 . 5 . . . 145 PRO CA . 27179 1 1129 . 1 . 1 168 168 PRO CB C 13 32.026 0.031 . 1 . 3 . . . 145 PRO CB . 27179 1 1130 . 1 . 1 168 168 PRO CG C 13 27.425 0.000 . 1 . 1 . . . 145 PRO CG . 27179 1 1131 . 1 . 1 168 168 PRO CD C 13 50.426 0.000 . 1 . 1 . . . 145 PRO CD . 27179 1 1132 . 1 . 1 169 169 ALA H H 1 8.259 0.005 . 1 . 22 . . . 146 ALA HN . 27179 1 1133 . 1 . 1 169 169 ALA CA C 13 50.385 0.024 . 1 . 2 . . . 146 ALA CA . 27179 1 1134 . 1 . 1 169 169 ALA CB C 13 18.434 0.000 . 1 . 1 . . . 146 ALA CB . 27179 1 1135 . 1 . 1 169 169 ALA N N 15 124.909 0.026 . 1 . 22 . . . 146 ALA N . 27179 1 1136 . 1 . 1 170 170 PRO HA H 1 4.415 0.000 . 1 . 1 . . . 147 PRO HA . 27179 1 1137 . 1 . 1 170 170 PRO HB2 H 1 2.034 0.000 . 1 . 1 . . . 147 PRO HB2 . 27179 1 1138 . 1 . 1 170 170 PRO HB3 H 1 2.302 0.000 . 1 . 1 . . . 147 PRO HB3 . 27179 1 1139 . 1 . 1 170 170 PRO HG2 H 1 2.034 0.000 . 2 . 1 . . . 147 PRO HG2 . 27179 1 1140 . 1 . 1 170 170 PRO HG3 H 1 2.034 0.000 . 2 . 1 . . . 147 PRO HG3 . 27179 1 1141 . 1 . 1 170 170 PRO HD2 H 1 3.646 0.000 . 2 . 1 . . . 147 PRO HD2 . 27179 1 1142 . 1 . 1 170 170 PRO HD3 H 1 3.646 0.000 . 2 . 1 . . . 147 PRO HD3 . 27179 1 1143 . 1 . 1 170 170 PRO C C 13 176.995 0.000 . 1 . 1 . . . 147 PRO C . 27179 1 1144 . 1 . 1 170 170 PRO CA C 13 63.411 0.035 . 1 . 5 . . . 147 PRO CA . 27179 1 1145 . 1 . 1 170 170 PRO CB C 13 32.055 0.031 . 1 . 3 . . . 147 PRO CB . 27179 1 1146 . 1 . 1 170 170 PRO CG C 13 27.581 0.000 . 1 . 1 . . . 147 PRO CG . 27179 1 1147 . 1 . 1 170 170 PRO CD C 13 50.481 0.000 . 1 . 1 . . . 147 PRO CD . 27179 1 1148 . 1 . 1 171 171 SER H H 1 8.240 0.005 . 1 . 23 . . . 148 SER HN . 27179 1 1149 . 1 . 1 171 171 SER HA H 1 4.357 0.000 . 1 . 1 . . . 148 SER HA . 27179 1 1150 . 1 . 1 171 171 SER HB2 H 1 3.825 0.000 . 1 . 1 . . . 148 SER HB2 . 27179 1 1151 . 1 . 1 171 171 SER HB3 H 1 3.859 0.000 . 1 . 1 . . . 148 SER HB3 . 27179 1 1152 . 1 . 1 171 171 SER C C 13 174.424 0.000 . 1 . 1 . . . 148 SER C . 27179 1 1153 . 1 . 1 171 171 SER CA C 13 58.644 0.016 . 1 . 6 . . . 148 SER CA . 27179 1 1154 . 1 . 1 171 171 SER CB C 13 63.828 0.031 . 1 . 4 . . . 148 SER CB . 27179 1 1155 . 1 . 1 171 171 SER N N 15 114.665 0.017 . 1 . 23 . . . 148 SER N . 27179 1 1156 . 1 . 1 172 172 ASN H H 1 8.257 0.004 . 1 . 19 . . . 149 ASN HN . 27179 1 1157 . 1 . 1 172 172 ASN HA H 1 4.676 0.000 . 1 . 1 . . . 149 ASN HA . 27179 1 1158 . 1 . 1 172 172 ASN HB2 H 1 2.719 0.000 . 2 . 1 . . . 149 ASN HB2 . 27179 1 1159 . 1 . 1 172 172 ASN HB3 H 1 2.719 0.000 . 2 . 1 . . . 149 ASN HB3 . 27179 1 1160 . 1 . 1 172 172 ASN C C 13 174.928 0.000 . 1 . 1 . . . 149 ASN C . 27179 1 1161 . 1 . 1 172 172 ASN CA C 13 53.368 0.019 . 1 . 7 . . . 149 ASN CA . 27179 1 1162 . 1 . 1 172 172 ASN CB C 13 38.960 0.029 . 1 . 4 . . . 149 ASN CB . 27179 1 1163 . 1 . 1 172 172 ASN N N 15 119.730 0.018 . 1 . 19 . . . 149 ASN N . 27179 1 1164 . 1 . 1 173 173 PHE H H 1 8.068 0.005 . 1 . 19 . . . 150 PHE HN . 27179 1 1165 . 1 . 1 173 173 PHE HA H 1 4.459 0.000 . 1 . 1 . . . 150 PHE HA . 27179 1 1166 . 1 . 1 173 173 PHE HB2 H 1 2.911 0.000 . 2 . 1 . . . 150 PHE HB2 . 27179 1 1167 . 1 . 1 173 173 PHE HB3 H 1 2.911 0.000 . 2 . 1 . . . 150 PHE HB3 . 27179 1 1168 . 1 . 1 173 173 PHE C C 13 175.264 0.000 . 1 . 1 . . . 150 PHE C . 27179 1 1169 . 1 . 1 173 173 PHE CA C 13 58.568 0.018 . 1 . 7 . . . 150 PHE CA . 27179 1 1170 . 1 . 1 173 173 PHE CB C 13 39.672 0.024 . 1 . 3 . . . 150 PHE CB . 27179 1 1171 . 1 . 1 173 173 PHE N N 15 119.665 0.024 . 1 . 19 . . . 150 PHE N . 27179 1 1172 . 1 . 1 174 174 PHE H H 1 8.040 0.003 . 1 . 18 . . . 151 PHE HN . 27179 1 1173 . 1 . 1 174 174 PHE HA H 1 4.651 0.000 . 1 . 1 . . . 151 PHE HA . 27179 1 1174 . 1 . 1 174 174 PHE HB2 H 1 3.018 0.000 . 1 . 1 . . . 151 PHE HB2 . 27179 1 1175 . 1 . 1 174 174 PHE HB3 H 1 3.212 0.000 . 1 . 1 . . . 151 PHE HB3 . 27179 1 1176 . 1 . 1 174 174 PHE C C 13 175.564 0.000 . 1 . 1 . . . 151 PHE C . 27179 1 1177 . 1 . 1 174 174 PHE CA C 13 57.848 0.017 . 1 . 7 . . . 151 PHE CA . 27179 1 1178 . 1 . 1 174 174 PHE CB C 13 39.608 0.034 . 1 . 4 . . . 151 PHE CB . 27179 1 1179 . 1 . 1 174 174 PHE N N 15 118.737 0.041 . 1 . 18 . . . 151 PHE N . 27179 1 1180 . 1 . 1 175 175 THR H H 1 7.919 0.003 . 1 . 20 . . . 152 THR HN . 27179 1 1181 . 1 . 1 175 175 THR HA H 1 4.234 0.000 . 1 . 1 . . . 152 THR HA . 27179 1 1182 . 1 . 1 175 175 THR C C 13 174.127 0.000 . 1 . 1 . . . 152 THR C . 27179 1 1183 . 1 . 1 175 175 THR CA C 13 61.696 0.069 . 1 . 6 . . . 152 THR CA . 27179 1 1184 . 1 . 1 175 175 THR CB C 13 69.932 0.018 . 1 . 4 . . . 152 THR CB . 27179 1 1185 . 1 . 1 175 175 THR N N 15 114.357 0.044 . 1 . 20 . . . 152 THR N . 27179 1 1186 . 1 . 1 176 176 SER H H 1 8.168 0.005 . 1 . 17 . . . 153 SER HN . 27179 1 1187 . 1 . 1 176 176 SER C C 13 173.365 0.000 . 1 . 1 . . . 153 SER C . 27179 1 1188 . 1 . 1 176 176 SER CA C 13 58.303 0.013 . 1 . 5 . . . 153 SER CA . 27179 1 1189 . 1 . 1 176 176 SER CB C 13 64.153 0.016 . 1 . 3 . . . 153 SER CB . 27179 1 1190 . 1 . 1 176 176 SER N N 15 118.030 0.055 . 1 . 17 . . . 153 SER N . 27179 1 1191 . 1 . 1 177 177 ALA H H 1 8.019 0.008 . 1 . 12 . . . 154 ALA HN . 27179 1 1192 . 1 . 1 177 177 ALA CA C 13 53.189 0.000 . 1 . 1 . . . 154 ALA CA . 27179 1 1193 . 1 . 1 177 177 ALA CB C 13 19.963 0.000 . 1 . 1 . . . 154 ALA CB . 27179 1 1194 . 1 . 1 177 177 ALA N N 15 129.722 0.212 . 1 . 12 . . . 154 ALA N . 27179 1 stop_ save_ ############################## # Heteronuclear NOE values # ############################## save_heteronuclear_noe_list_1 _Heteronucl_NOE_list.Sf_category heteronucl_NOEs _Heteronucl_NOE_list.Sf_framecode heteronuclear_noe_list_1 _Heteronucl_NOE_list.Entry_ID 27179 _Heteronucl_NOE_list.ID 1 _Heteronucl_NOE_list.Name . _Heteronucl_NOE_list.Sample_condition_list_ID 1 _Heteronucl_NOE_list.Sample_condition_list_label $sample_conditions_1 _Heteronucl_NOE_list.Spectrometer_frequency_1H 600 _Heteronucl_NOE_list.Heteronuclear_NOE_val_type 'relative intensities' _Heteronucl_NOE_list.NOE_ref_val 20000000 _Heteronucl_NOE_list.NOE_ref_description . _Heteronucl_NOE_list.Details . _Heteronucl_NOE_list.Text_data_format . _Heteronucl_NOE_list.Text_data . loop_ _Heteronucl_NOE_experiment.Experiment_ID _Heteronucl_NOE_experiment.Experiment_name _Heteronucl_NOE_experiment.Sample_ID _Heteronucl_NOE_experiment.Sample_label _Heteronucl_NOE_experiment.Sample_state _Heteronucl_NOE_experiment.Entry_ID _Heteronucl_NOE_experiment.Heteronucl_NOE_list_ID 1 '2D 1H-15N HSQC' . . . 27179 1 stop_ loop_ _Heteronucl_NOE.ID _Heteronucl_NOE.Assembly_atom_ID_1 _Heteronucl_NOE.Entity_assembly_ID_1 _Heteronucl_NOE.Entity_ID_1 _Heteronucl_NOE.Comp_index_ID_1 _Heteronucl_NOE.Seq_ID_1 _Heteronucl_NOE.Comp_ID_1 _Heteronucl_NOE.Atom_ID_1 _Heteronucl_NOE.Atom_type_1 _Heteronucl_NOE.Atom_isotope_number_1 _Heteronucl_NOE.Assembly_atom_ID_2 _Heteronucl_NOE.Entity_assembly_ID_2 _Heteronucl_NOE.Entity_ID_2 _Heteronucl_NOE.Comp_index_ID_2 _Heteronucl_NOE.Seq_ID_2 _Heteronucl_NOE.Comp_ID_2 _Heteronucl_NOE.Atom_ID_2 _Heteronucl_NOE.Atom_type_2 _Heteronucl_NOE.Atom_isotope_number_2 _Heteronucl_NOE.Val _Heteronucl_NOE.Val_err _Heteronucl_NOE.Resonance_ID_1 _Heteronucl_NOE.Resonance_ID_2 _Heteronucl_NOE.Auth_entity_assembly_ID_1 _Heteronucl_NOE.Auth_seq_ID_1 _Heteronucl_NOE.Auth_comp_ID_1 _Heteronucl_NOE.Auth_atom_ID_1 _Heteronucl_NOE.Auth_entity_assembly_ID_2 _Heteronucl_NOE.Auth_seq_ID_2 _Heteronucl_NOE.Auth_comp_ID_2 _Heteronucl_NOE.Auth_atom_ID_2 _Heteronucl_NOE.Entry_ID _Heteronucl_NOE.Heteronucl_NOE_list_ID 1 . 1 1 25 25 ALA N N 15 . 1 1 25 25 ALA H H 1 -0.183 0.021 . . . 2 ALA N . 2 ALA H 27179 1 2 . 1 1 26 26 ALA N N 15 . 1 1 26 26 ALA H H 1 -0.366 0.001 . . . 3 ALA N . 3 ALA H 27179 1 3 . 1 1 27 27 ARG N N 15 . 1 1 27 27 ARG H H 1 -0.116 0.016 . . . 4 ARG N . 4 ARG H 27179 1 4 . 1 1 28 28 LEU N N 15 . 1 1 28 28 LEU H H 1 -0.226 0.089 . . . 5 LEU N . 5 LEU H 27179 1 5 . 1 1 29 29 SER N N 15 . 1 1 29 29 SER H H 1 -0.306 0.024 . . . 6 SER N . 6 SER H 27179 1 6 . 1 1 30 30 SER N N 15 . 1 1 30 30 SER H H 1 -0.106 0.027 . . . 7 SER N . 7 SER H 27179 1 7 . 1 1 31 31 GLN N N 15 . 1 1 31 31 GLN H H 1 -0.065 0.021 . . . 8 GLN N . 8 GLN H 27179 1 8 . 1 1 32 32 LEU N N 15 . 1 1 32 32 LEU H H 1 -0.228 0.043 . . . 9 LEU N . 9 LEU H 27179 1 9 . 1 1 33 33 ASP N N 15 . 1 1 33 33 ASP H H 1 -0.063 0.011 . . . 10 ASP N . 10 ASP H 27179 1 10 . 1 1 35 35 ALA N N 15 . 1 1 35 35 ALA H H 1 -0.055 0.000 . . . 12 ALA N . 12 ALA H 27179 1 11 . 1 1 36 36 ARG N N 15 . 1 1 36 36 ARG H H 1 0.116 0.094 . . . 13 ARG N . 13 ARG H 27179 1 12 . 1 1 37 37 ASP N N 15 . 1 1 37 37 ASP H H 1 -0.103 0.009 . . . 14 ASP N . 14 ASP H 27179 1 13 . 1 1 38 38 VAL N N 15 . 1 1 38 38 VAL H H 1 0.069 0.040 . . . 15 VAL N . 15 VAL H 27179 1 14 . 1 1 39 39 LEU N N 15 . 1 1 39 39 LEU H H 1 -0.065 0.041 . . . 16 LEU N . 16 LEU H 27179 1 15 . 1 1 40 40 SER N N 15 . 1 1 40 40 SER H H 1 -0.039 0.027 . . . 17 SER N . 17 SER H 27179 1 16 . 1 1 41 41 LEU N N 15 . 1 1 41 41 LEU H H 1 -0.093 0.012 . . . 18 LEU N . 18 LEU H 27179 1 17 . 1 1 42 42 ARG N N 15 . 1 1 42 42 ARG H H 1 -0.086 0.034 . . . 19 ARG N . 19 ARG H 27179 1 18 . 1 1 44 44 VAL N N 15 . 1 1 44 44 VAL H H 1 -0.275 0.014 . . . 21 VAL N . 21 VAL H 27179 1 19 . 1 1 45 45 GLY N N 15 . 1 1 45 45 GLY H H 1 -0.352 0.045 . . . 22 GLY N . 22 GLY H 27179 1 20 . 1 1 46 46 ALA N N 15 . 1 1 46 46 ALA H H 1 -0.377 0.013 . . . 23 ALA N . 23 ALA H 27179 1 21 . 1 1 47 47 GLU N N 15 . 1 1 47 47 GLU H H 1 -0.449 0.003 . . . 24 GLU N . 24 GLU H 27179 1 22 . 1 1 48 48 SER N N 15 . 1 1 48 48 SER H H 1 -0.363 0.071 . . . 25 SER N . 25 SER H 27179 1 23 . 1 1 49 49 ARG N N 15 . 1 1 49 49 ARG H H 1 -0.350 0.008 . . . 26 ARG N . 26 ARG H 27179 1 24 . 1 1 50 50 GLY N N 15 . 1 1 50 50 GLY H H 1 -0.405 0.036 . . . 27 GLY N . 27 GLY H 27179 1 25 . 1 1 51 51 ARG N N 15 . 1 1 51 51 ARG H H 1 -0.303 0.057 . . . 28 ARG N . 28 ARG H 27179 1 26 . 1 1 53 53 PHE N N 15 . 1 1 53 53 PHE H H 1 -0.227 0.027 . . . 30 PHE N . 30 PHE H 27179 1 27 . 1 1 54 54 SER N N 15 . 1 1 54 54 SER H H 1 -0.062 0.075 . . . 31 SER N . 31 SER H 27179 1 28 . 1 1 55 55 GLY N N 15 . 1 1 55 55 GLY H H 1 -0.454 0.058 . . . 32 GLY N . 32 GLY H 27179 1 29 . 1 1 56 56 SER N N 15 . 1 1 56 56 SER H H 1 -0.225 0.018 . . . 33 SER N . 33 SER H 27179 1 30 . 1 1 57 57 LEU N N 15 . 1 1 57 57 LEU H H 1 -0.397 0.070 . . . 34 LEU N . 34 LEU H 27179 1 31 . 1 1 58 58 GLY N N 15 . 1 1 58 58 GLY H H 1 -0.326 0.007 . . . 35 GLY N . 35 GLY H 27179 1 32 . 1 1 59 59 THR N N 15 . 1 1 59 59 THR H H 1 -0.436 0.068 . . . 36 THR N . 36 THR H 27179 1 33 . 1 1 60 60 LEU N N 15 . 1 1 60 60 LEU H H 1 -0.485 0.043 . . . 37 LEU N . 37 LEU H 27179 1 34 . 1 1 61 61 SER N N 15 . 1 1 61 61 SER H H 1 -0.491 0.066 . . . 38 SER N . 38 SER H 27179 1 35 . 1 1 62 62 SER N N 15 . 1 1 62 62 SER H H 1 -0.423 0.026 . . . 39 SER N . 39 SER H 27179 1 36 . 1 1 64 64 SER N N 15 . 1 1 64 64 SER H H 1 -0.388 0.012 . . . 41 SER N . 41 SER H 27179 1 37 . 1 1 66 66 SER N N 15 . 1 1 66 66 SER H H 1 -0.341 0.006 . . . 43 SER N . 43 SER H 27179 1 38 . 1 1 67 67 ALA N N 15 . 1 1 67 67 ALA H H 1 -0.498 0.044 . . . 44 ALA N . 44 ALA H 27179 1 39 . 1 1 68 68 VAL N N 15 . 1 1 68 68 VAL H H 1 -0.188 0.081 . . . 45 VAL N . 45 VAL H 27179 1 40 . 1 1 70 70 THR N N 15 . 1 1 70 70 THR H H 1 -0.453 0.041 . . . 47 THR N . 47 THR H 27179 1 41 . 1 1 71 71 ASP N N 15 . 1 1 71 71 ASP H H 1 -0.076 0.000 . . . 48 ASP N . 48 ASP H 27179 1 42 . 1 1 72 72 HIS N N 15 . 1 1 72 72 HIS H H 1 -0.325 0.053 . . . 49 HIS N . 49 HIS H 27179 1 43 . 1 1 73 73 GLY N N 15 . 1 1 73 73 GLY H H 1 -0.310 0.024 . . . 50 GLY N . 50 GLY H 27179 1 44 . 1 1 74 74 ALA N N 15 . 1 1 74 74 ALA H H 1 -0.166 0.009 . . . 51 ALA N . 51 ALA H 27179 1 45 . 1 1 75 75 HIS N N 15 . 1 1 75 75 HIS H H 1 -0.185 0.021 . . . 52 HIS N . 52 HIS H 27179 1 46 . 1 1 76 76 LEU N N 15 . 1 1 76 76 LEU H H 1 -0.187 0.012 . . . 53 LEU N . 53 LEU H 27179 1 47 . 1 1 77 77 SER N N 15 . 1 1 77 77 SER H H 1 -0.187 0.016 . . . 54 SER N . 54 SER H 27179 1 48 . 1 1 78 78 LEU N N 15 . 1 1 78 78 LEU H H 1 -0.106 0.004 . . . 55 LEU N . 55 LEU H 27179 1 49 . 1 1 79 79 ARG N N 15 . 1 1 79 79 ARG H H 1 0.155 0.050 . . . 56 ARG N . 56 ARG H 27179 1 50 . 1 1 80 80 GLY N N 15 . 1 1 80 80 GLY H H 1 -0.155 0.016 . . . 57 GLY N . 57 GLY H 27179 1 51 . 1 1 81 81 LEU N N 15 . 1 1 81 81 LEU H H 1 0.059 0.125 . . . 58 LEU N . 58 LEU H 27179 1 52 . 1 1 83 83 VAL N N 15 . 1 1 83 83 VAL H H 1 -0.038 0.043 . . . 60 VAL N . 60 VAL H 27179 1 53 . 1 1 84 84 SER N N 15 . 1 1 84 84 SER H H 1 -0.060 0.030 . . . 61 SER N . 61 SER H 27179 1 54 . 1 1 85 85 ALA N N 15 . 1 1 85 85 ALA H H 1 -0.088 0.047 . . . 62 ALA N . 62 ALA H 27179 1 55 . 1 1 86 86 PHE N N 15 . 1 1 86 86 PHE H H 1 -0.096 0.119 . . . 63 PHE N . 63 PHE H 27179 1 56 . 1 1 87 87 SER N N 15 . 1 1 87 87 SER H H 1 0.016 0.022 . . . 64 SER N . 64 SER H 27179 1 57 . 1 1 88 88 SER N N 15 . 1 1 88 88 SER H H 1 -0.088 0.020 . . . 65 SER N . 65 SER H 27179 1 58 . 1 1 89 89 ALA N N 15 . 1 1 89 89 ALA H H 1 -0.098 0.047 . . . 66 ALA N . 66 ALA H 27179 1 59 . 1 1 90 90 GLY N N 15 . 1 1 90 90 GLY H H 1 -0.378 0.064 . . . 67 GLY N . 67 GLY H 27179 1 60 . 1 1 92 92 SER N N 15 . 1 1 92 92 SER H H 1 -0.064 0.050 . . . 69 SER N . 69 SER H 27179 1 61 . 1 1 93 93 ALA N N 15 . 1 1 93 93 ALA H H 1 -0.099 0.062 . . . 70 ALA N . 70 ALA H 27179 1 62 . 1 1 94 94 LEU N N 15 . 1 1 94 94 LEU H H 1 0.079 0.014 . . . 71 LEU N . 71 LEU H 27179 1 63 . 1 1 95 95 ARG N N 15 . 1 1 95 95 ARG H H 1 -0.002 0.013 . . . 72 ARG N . 72 ARG H 27179 1 64 . 1 1 96 96 PHE N N 15 . 1 1 96 96 PHE H H 1 0.028 0.005 . . . 73 PHE N . 73 PHE H 27179 1 65 . 1 1 97 97 THR N N 15 . 1 1 97 97 THR H H 1 -0.076 0.110 . . . 74 THR N . 74 THR H 27179 1 66 . 1 1 98 98 SER N N 15 . 1 1 98 98 SER H H 1 -0.050 0.055 . . . 75 SER N . 75 SER H 27179 1 67 . 1 1 99 99 ALA N N 15 . 1 1 99 99 ALA H H 1 -0.077 0.003 . . . 76 ALA N . 76 ALA H 27179 1 68 . 1 1 100 100 ARG N N 15 . 1 1 100 100 ARG H H 1 -0.074 0.026 . . . 77 ARG N . 77 ARG H 27179 1 69 . 1 1 101 101 ARG N N 15 . 1 1 101 101 ARG H H 1 -0.053 0.002 . . . 78 ARG N . 78 ARG H 27179 1 70 . 1 1 102 102 MET N N 15 . 1 1 102 102 MET H H 1 -0.073 0.002 . . . 79 MET N . 79 MET H 27179 1 71 . 1 1 103 103 GLU N N 15 . 1 1 103 103 GLU H H 1 -0.092 0.005 . . . 80 GLU N . 80 GLU H 27179 1 72 . 1 1 104 104 THR N N 15 . 1 1 104 104 THR H H 1 -0.166 0.006 . . . 81 THR N . 81 THR H 27179 1 73 . 1 1 105 105 THR N N 15 . 1 1 105 105 THR H H 1 -0.061 0.006 . . . 82 THR N . 82 THR H 27179 1 74 . 1 1 106 106 VAL N N 15 . 1 1 106 106 VAL H H 1 -0.156 0.033 . . . 83 VAL N . 83 VAL H 27179 1 75 . 1 1 107 107 ASN N N 15 . 1 1 107 107 ASN H H 1 -0.155 0.054 . . . 84 ASN N . 84 ASN H 27179 1 76 . 1 1 108 108 ALA N N 15 . 1 1 108 108 ALA H H 1 -0.092 0.031 . . . 85 ALA N . 85 ALA H 27179 1 77 . 1 1 109 109 HIS N N 15 . 1 1 109 109 HIS H H 1 -0.137 0.068 . . . 86 HIS N . 86 HIS H 27179 1 78 . 1 1 110 110 GLN N N 15 . 1 1 110 110 GLN H H 1 -0.214 0.003 . . . 87 GLN N . 87 GLN H 27179 1 79 . 1 1 111 111 ILE N N 15 . 1 1 111 111 ILE H H 1 -0.058 0.022 . . . 88 ILE N . 88 ILE H 27179 1 80 . 1 1 112 112 LEU N N 15 . 1 1 112 112 LEU H H 1 -0.033 0.116 . . . 89 LEU N . 89 LEU H 27179 1 81 . 1 1 114 114 LYS N N 15 . 1 1 114 114 LYS H H 1 -0.154 0.012 . . . 91 LYS N . 91 LYS H 27179 1 82 . 1 1 115 115 VAL N N 15 . 1 1 115 115 VAL H H 1 -0.177 0.084 . . . 92 VAL N . 92 VAL H 27179 1 83 . 1 1 116 116 LEU N N 15 . 1 1 116 116 LEU H H 1 0.039 0.222 . . . 93 LEU N . 93 LEU H 27179 1 84 . 1 1 117 117 HIS N N 15 . 1 1 117 117 HIS H H 1 -0.088 0.025 . . . 94 HIS N . 94 HIS H 27179 1 85 . 1 1 118 118 LYS N N 15 . 1 1 118 118 LYS H H 1 -0.141 0.028 . . . 95 LYS N . 95 LYS H 27179 1 86 . 1 1 119 119 ARG N N 15 . 1 1 119 119 ARG H H 1 -0.084 0.010 . . . 96 ARG N . 96 ARG H 27179 1 87 . 1 1 120 120 THR N N 15 . 1 1 120 120 THR H H 1 -0.173 0.035 . . . 97 THR N . 97 THR H 27179 1 88 . 1 1 121 121 LEU N N 15 . 1 1 121 121 LEU H H 1 -0.096 0.013 . . . 98 LEU N . 98 LEU H 27179 1 89 . 1 1 122 122 GLY N N 15 . 1 1 122 122 GLY H H 1 -0.206 0.013 . . . 99 GLY N . 99 GLY H 27179 1 90 . 1 1 123 123 LEU N N 15 . 1 1 123 123 LEU H H 1 0.072 0.023 . . . 100 LEU N . 100 LEU H 27179 1 91 . 1 1 124 124 SER N N 15 . 1 1 124 124 SER H H 1 0.155 0.065 . . . 101 SER N . 101 SER H 27179 1 92 . 1 1 125 125 ALA N N 15 . 1 1 125 125 ALA H H 1 0.380 0.157 . . . 102 ALA N . 102 ALA H 27179 1 93 . 1 1 126 126 MET N N 15 . 1 1 126 126 MET H H 1 0.114 0.077 . . . 103 MET N . 103 MET H 27179 1 94 . 1 1 127 127 SER N N 15 . 1 1 127 127 SER H H 1 0.292 0.114 . . . 104 SER N . 104 SER H 27179 1 95 . 1 1 145 145 GLU N N 15 . 1 1 145 145 GLU H H 1 -0.485 0.009 . . . 122 GLU N . 122 GLU H 27179 1 96 . 1 1 158 158 GLY N N 15 . 1 1 158 158 GLY H H 1 0.375 0.235 . . . 135 GLY N . 135 GLY H 27179 1 97 . 1 1 159 159 GLY N N 15 . 1 1 159 159 GLY H H 1 0.259 0.028 . . . 136 GLY N . 136 GLY H 27179 1 98 . 1 1 160 160 SER N N 15 . 1 1 160 160 SER H H 1 -0.180 0.007 . . . 137 SER N . 137 SER H 27179 1 99 . 1 1 161 161 ARG N N 15 . 1 1 161 161 ARG H H 1 -0.011 0.015 . . . 138 ARG N . 138 ARG H 27179 1 100 . 1 1 162 162 HIS N N 15 . 1 1 162 162 HIS H H 1 0.369 0.002 . . . 139 HIS N . 139 HIS H 27179 1 101 . 1 1 163 163 LYS N N 15 . 1 1 163 163 LYS H H 1 -0.077 0.005 . . . 140 LYS N . 140 LYS H 27179 1 102 . 1 1 164 164 LEU N N 15 . 1 1 164 164 LEU H H 1 -0.345 0.101 . . . 141 LEU N . 141 LEU H 27179 1 103 . 1 1 165 165 VAL N N 15 . 1 1 165 165 VAL H H 1 -0.188 0.086 . . . 142 VAL N . 142 VAL H 27179 1 104 . 1 1 166 166 SER N N 15 . 1 1 166 166 SER H H 1 0.019 0.062 . . . 143 SER N . 143 SER H 27179 1 105 . 1 1 167 167 ALA N N 15 . 1 1 167 167 ALA H H 1 -0.155 0.157 . . . 144 ALA N . 144 ALA H 27179 1 106 . 1 1 169 169 ALA N N 15 . 1 1 169 169 ALA H H 1 -0.318 0.113 . . . 146 ALA N . 146 ALA H 27179 1 107 . 1 1 171 171 SER N N 15 . 1 1 171 171 SER H H 1 -0.199 0.112 . . . 148 SER N . 148 SER H 27179 1 108 . 1 1 172 172 ASN N N 15 . 1 1 172 172 ASN H H 1 -0.157 0.025 . . . 149 ASN N . 149 ASN H 27179 1 109 . 1 1 173 173 PHE N N 15 . 1 1 173 173 PHE H H 1 -0.095 0.007 . . . 150 PHE N . 150 PHE H 27179 1 110 . 1 1 174 174 PHE N N 15 . 1 1 174 174 PHE H H 1 -0.167 0.059 . . . 151 PHE N . 151 PHE H 27179 1 111 . 1 1 175 175 THR N N 15 . 1 1 175 175 THR H H 1 -0.478 0.161 . . . 152 THR N . 152 THR H 27179 1 112 . 1 1 176 176 SER N N 15 . 1 1 176 176 SER H H 1 -0.691 0.021 . . . 153 SER N . 153 SER H 27179 1 stop_ save_ save_heteronuclear_noe_list_2 _Heteronucl_NOE_list.Sf_category heteronucl_NOEs _Heteronucl_NOE_list.Sf_framecode heteronuclear_noe_list_2 _Heteronucl_NOE_list.Entry_ID 27179 _Heteronucl_NOE_list.ID 2 _Heteronucl_NOE_list.Name . _Heteronucl_NOE_list.Sample_condition_list_ID 1 _Heteronucl_NOE_list.Sample_condition_list_label $sample_conditions_1 _Heteronucl_NOE_list.Spectrometer_frequency_1H 900 _Heteronucl_NOE_list.Heteronuclear_NOE_val_type 'relative intensities' _Heteronucl_NOE_list.NOE_ref_val 20000000 _Heteronucl_NOE_list.NOE_ref_description . _Heteronucl_NOE_list.Details . _Heteronucl_NOE_list.Text_data_format . _Heteronucl_NOE_list.Text_data . loop_ _Heteronucl_NOE_experiment.Experiment_ID _Heteronucl_NOE_experiment.Experiment_name _Heteronucl_NOE_experiment.Sample_ID _Heteronucl_NOE_experiment.Sample_label _Heteronucl_NOE_experiment.Sample_state _Heteronucl_NOE_experiment.Entry_ID _Heteronucl_NOE_experiment.Heteronucl_NOE_list_ID 1 '2D 1H-15N HSQC' . . . 27179 2 stop_ loop_ _Heteronucl_NOE.ID _Heteronucl_NOE.Assembly_atom_ID_1 _Heteronucl_NOE.Entity_assembly_ID_1 _Heteronucl_NOE.Entity_ID_1 _Heteronucl_NOE.Comp_index_ID_1 _Heteronucl_NOE.Seq_ID_1 _Heteronucl_NOE.Comp_ID_1 _Heteronucl_NOE.Atom_ID_1 _Heteronucl_NOE.Atom_type_1 _Heteronucl_NOE.Atom_isotope_number_1 _Heteronucl_NOE.Assembly_atom_ID_2 _Heteronucl_NOE.Entity_assembly_ID_2 _Heteronucl_NOE.Entity_ID_2 _Heteronucl_NOE.Comp_index_ID_2 _Heteronucl_NOE.Seq_ID_2 _Heteronucl_NOE.Comp_ID_2 _Heteronucl_NOE.Atom_ID_2 _Heteronucl_NOE.Atom_type_2 _Heteronucl_NOE.Atom_isotope_number_2 _Heteronucl_NOE.Val _Heteronucl_NOE.Val_err _Heteronucl_NOE.Resonance_ID_1 _Heteronucl_NOE.Resonance_ID_2 _Heteronucl_NOE.Auth_entity_assembly_ID_1 _Heteronucl_NOE.Auth_seq_ID_1 _Heteronucl_NOE.Auth_comp_ID_1 _Heteronucl_NOE.Auth_atom_ID_1 _Heteronucl_NOE.Auth_entity_assembly_ID_2 _Heteronucl_NOE.Auth_seq_ID_2 _Heteronucl_NOE.Auth_comp_ID_2 _Heteronucl_NOE.Auth_atom_ID_2 _Heteronucl_NOE.Entry_ID _Heteronucl_NOE.Heteronucl_NOE_list_ID 1 . 1 1 25 25 ALA N N 15 . 1 1 25 25 ALA H H 1 0.216 0.010 . . . 2 ALA N . 2 ALA H 27179 2 2 . 1 1 26 26 ALA N N 15 . 1 1 26 26 ALA H H 1 0.162 0.042 . . . 3 ALA N . 3 ALA H 27179 2 3 . 1 1 27 27 ARG N N 15 . 1 1 27 27 ARG H H 1 0.332 0.025 . . . 4 ARG N . 4 ARG H 27179 2 4 . 1 1 28 28 LEU N N 15 . 1 1 28 28 LEU H H 1 0.223 0.039 . . . 5 LEU N . 5 LEU H 27179 2 5 . 1 1 29 29 SER N N 15 . 1 1 29 29 SER H H 1 0.216 0.007 . . . 6 SER N . 6 SER H 27179 2 6 . 1 1 30 30 SER N N 15 . 1 1 30 30 SER H H 1 0.226 0.011 . . . 7 SER N . 7 SER H 27179 2 7 . 1 1 31 31 GLN N N 15 . 1 1 31 31 GLN H H 1 0.346 0.023 . . . 8 GLN N . 8 GLN H 27179 2 8 . 1 1 32 32 LEU N N 15 . 1 1 32 32 LEU H H 1 0.274 0.012 . . . 9 LEU N . 9 LEU H 27179 2 9 . 1 1 33 33 ASP N N 15 . 1 1 33 33 ASP H H 1 0.251 0.010 . . . 10 ASP N . 10 ASP H 27179 2 10 . 1 1 35 35 ALA N N 15 . 1 1 35 35 ALA H H 1 0.321 0.013 . . . 12 ALA N . 12 ALA H 27179 2 11 . 1 1 36 36 ARG N N 15 . 1 1 36 36 ARG H H 1 0.431 0.064 . . . 13 ARG N . 13 ARG H 27179 2 12 . 1 1 37 37 ASP N N 15 . 1 1 37 37 ASP H H 1 0.309 0.019 . . . 14 ASP N . 14 ASP H 27179 2 13 . 1 1 38 38 VAL N N 15 . 1 1 38 38 VAL H H 1 0.412 0.021 . . . 15 VAL N . 15 VAL H 27179 2 14 . 1 1 39 39 LEU N N 15 . 1 1 39 39 LEU H H 1 0.348 0.032 . . . 16 LEU N . 16 LEU H 27179 2 15 . 1 1 40 40 SER N N 15 . 1 1 40 40 SER H H 1 0.375 0.001 . . . 17 SER N . 17 SER H 27179 2 16 . 1 1 41 41 LEU N N 15 . 1 1 41 41 LEU H H 1 0.287 0.033 . . . 18 LEU N . 18 LEU H 27179 2 17 . 1 1 42 42 ARG N N 15 . 1 1 42 42 ARG H H 1 0.340 0.075 . . . 19 ARG N . 19 ARG H 27179 2 18 . 1 1 44 44 VAL N N 15 . 1 1 44 44 VAL H H 1 0.225 0.026 . . . 21 VAL N . 21 VAL H 27179 2 19 . 1 1 45 45 GLY N N 15 . 1 1 45 45 GLY H H 1 0.207 0.052 . . . 22 GLY N . 22 GLY H 27179 2 20 . 1 1 46 46 ALA N N 15 . 1 1 46 46 ALA H H 1 0.232 0.056 . . . 23 ALA N . 23 ALA H 27179 2 21 . 1 1 47 47 GLU N N 15 . 1 1 47 47 GLU H H 1 0.057 0.035 . . . 24 GLU N . 24 GLU H 27179 2 22 . 1 1 48 48 SER N N 15 . 1 1 48 48 SER H H 1 0.147 0.017 . . . 25 SER N . 25 SER H 27179 2 23 . 1 1 49 49 ARG N N 15 . 1 1 49 49 ARG H H 1 0.181 0.022 . . . 26 ARG N . 26 ARG H 27179 2 24 . 1 1 50 50 GLY N N 15 . 1 1 50 50 GLY H H 1 0.106 0.067 . . . 27 GLY N . 27 GLY H 27179 2 25 . 1 1 51 51 ARG N N 15 . 1 1 51 51 ARG H H 1 0.185 0.016 . . . 28 ARG N . 28 ARG H 27179 2 26 . 1 1 53 53 PHE N N 15 . 1 1 53 53 PHE H H 1 0.178 0.044 . . . 30 PHE N . 30 PHE H 27179 2 27 . 1 1 54 54 SER N N 15 . 1 1 54 54 SER H H 1 0.308 0.004 . . . 31 SER N . 31 SER H 27179 2 28 . 1 1 55 55 GLY N N 15 . 1 1 55 55 GLY H H 1 0.152 0.003 . . . 32 GLY N . 32 GLY H 27179 2 29 . 1 1 56 56 SER N N 15 . 1 1 56 56 SER H H 1 0.310 0.003 . . . 33 SER N . 33 SER H 27179 2 30 . 1 1 57 57 LEU N N 15 . 1 1 57 57 LEU H H 1 0.136 0.013 . . . 34 LEU N . 34 LEU H 27179 2 31 . 1 1 58 58 GLY N N 15 . 1 1 58 58 GLY H H 1 0.104 0.015 . . . 35 GLY N . 35 GLY H 27179 2 32 . 1 1 59 59 THR N N 15 . 1 1 59 59 THR H H 1 0.171 0.041 . . . 36 THR N . 36 THR H 27179 2 33 . 1 1 60 60 LEU N N 15 . 1 1 60 60 LEU H H 1 0.028 0.038 . . . 37 LEU N . 37 LEU H 27179 2 34 . 1 1 61 61 SER N N 15 . 1 1 61 61 SER H H 1 0.077 0.018 . . . 38 SER N . 38 SER H 27179 2 35 . 1 1 62 62 SER N N 15 . 1 1 62 62 SER H H 1 0.152 0.048 . . . 39 SER N . 39 SER H 27179 2 36 . 1 1 64 64 SER N N 15 . 1 1 64 64 SER H H 1 0.153 0.008 . . . 41 SER N . 41 SER H 27179 2 37 . 1 1 66 66 SER N N 15 . 1 1 66 66 SER H H 1 0.031 0.037 . . . 43 SER N . 43 SER H 27179 2 38 . 1 1 67 67 ALA N N 15 . 1 1 67 67 ALA H H 1 0.080 0.095 . . . 44 ALA N . 44 ALA H 27179 2 39 . 1 1 68 68 VAL N N 15 . 1 1 68 68 VAL H H 1 0.225 0.029 . . . 45 VAL N . 45 VAL H 27179 2 40 . 1 1 70 70 THR N N 15 . 1 1 70 70 THR H H 1 0.093 0.034 . . . 47 THR N . 47 THR H 27179 2 41 . 1 1 71 71 ASP N N 15 . 1 1 71 71 ASP H H 1 0.297 0.011 . . . 48 ASP N . 48 ASP H 27179 2 42 . 1 1 72 72 HIS N N 15 . 1 1 72 72 HIS H H 1 0.120 0.010 . . . 49 HIS N . 49 HIS H 27179 2 43 . 1 1 73 73 GLY N N 15 . 1 1 73 73 GLY H H 1 0.164 0.012 . . . 50 GLY N . 50 GLY H 27179 2 44 . 1 1 74 74 ALA N N 15 . 1 1 74 74 ALA H H 1 0.296 0.072 . . . 51 ALA N . 51 ALA H 27179 2 45 . 1 1 75 75 HIS N N 15 . 1 1 75 75 HIS H H 1 0.155 0.065 . . . 52 HIS N . 52 HIS H 27179 2 46 . 1 1 76 76 LEU N N 15 . 1 1 76 76 LEU H H 1 0.245 0.018 . . . 53 LEU N . 53 LEU H 27179 2 47 . 1 1 77 77 SER N N 15 . 1 1 77 77 SER H H 1 0.259 0.050 . . . 54 SER N . 54 SER H 27179 2 48 . 1 1 78 78 LEU N N 15 . 1 1 78 78 LEU H H 1 0.281 0.035 . . . 55 LEU N . 55 LEU H 27179 2 49 . 1 1 79 79 ARG N N 15 . 1 1 79 79 ARG H H 1 0.258 0.018 . . . 56 ARG N . 56 ARG H 27179 2 50 . 1 1 80 80 GLY N N 15 . 1 1 80 80 GLY H H 1 0.325 0.031 . . . 57 GLY N . 57 GLY H 27179 2 51 . 1 1 81 81 LEU N N 15 . 1 1 81 81 LEU H H 1 0.426 0.022 . . . 58 LEU N . 58 LEU H 27179 2 52 . 1 1 83 83 VAL N N 15 . 1 1 83 83 VAL H H 1 0.299 0.000 . . . 60 VAL N . 60 VAL H 27179 2 53 . 1 1 84 84 SER N N 15 . 1 1 84 84 SER H H 1 0.342 0.003 . . . 61 SER N . 61 SER H 27179 2 54 . 1 1 85 85 ALA N N 15 . 1 1 85 85 ALA H H 1 0.447 0.045 . . . 62 ALA N . 62 ALA H 27179 2 55 . 1 1 86 86 PHE N N 15 . 1 1 86 86 PHE H H 1 0.263 0.037 . . . 63 PHE N . 63 PHE H 27179 2 56 . 1 1 87 87 SER N N 15 . 1 1 87 87 SER H H 1 0.316 0.011 . . . 64 SER N . 64 SER H 27179 2 57 . 1 1 88 88 SER N N 15 . 1 1 88 88 SER H H 1 0.298 0.036 . . . 65 SER N . 65 SER H 27179 2 58 . 1 1 89 89 ALA N N 15 . 1 1 89 89 ALA H H 1 0.381 0.047 . . . 66 ALA N . 66 ALA H 27179 2 59 . 1 1 90 90 GLY N N 15 . 1 1 90 90 GLY H H 1 0.209 0.062 . . . 67 GLY N . 67 GLY H 27179 2 60 . 1 1 92 92 SER N N 15 . 1 1 92 92 SER H H 1 0.170 0.020 . . . 69 SER N . 69 SER H 27179 2 61 . 1 1 93 93 ALA N N 15 . 1 1 93 93 ALA H H 1 0.446 0.052 . . . 70 ALA N . 70 ALA H 27179 2 62 . 1 1 94 94 LEU N N 15 . 1 1 94 94 LEU H H 1 0.222 0.009 . . . 71 LEU N . 71 LEU H 27179 2 63 . 1 1 95 95 ARG N N 15 . 1 1 95 95 ARG H H 1 0.306 0.006 . . . 72 ARG N . 72 ARG H 27179 2 64 . 1 1 96 96 PHE N N 15 . 1 1 96 96 PHE H H 1 0.424 0.028 . . . 73 PHE N . 73 PHE H 27179 2 65 . 1 1 97 97 THR N N 15 . 1 1 97 97 THR H H 1 0.384 0.068 . . . 74 THR N . 74 THR H 27179 2 66 . 1 1 98 98 SER N N 15 . 1 1 98 98 SER H H 1 0.384 0.001 . . . 75 SER N . 75 SER H 27179 2 67 . 1 1 99 99 ALA N N 15 . 1 1 99 99 ALA H H 1 0.424 0.014 . . . 76 ALA N . 76 ALA H 27179 2 68 . 1 1 100 100 ARG N N 15 . 1 1 100 100 ARG H H 1 0.301 0.003 . . . 77 ARG N . 77 ARG H 27179 2 69 . 1 1 101 101 ARG N N 15 . 1 1 101 101 ARG H H 1 0.325 0.022 . . . 78 ARG N . 78 ARG H 27179 2 70 . 1 1 102 102 MET N N 15 . 1 1 102 102 MET H H 1 0.260 0.079 . . . 79 MET N . 79 MET H 27179 2 71 . 1 1 103 103 GLU N N 15 . 1 1 103 103 GLU H H 1 0.186 0.010 . . . 80 GLU N . 80 GLU H 27179 2 72 . 1 1 104 104 THR N N 15 . 1 1 104 104 THR H H 1 0.211 0.073 . . . 81 THR N . 81 THR H 27179 2 73 . 1 1 105 105 THR N N 15 . 1 1 105 105 THR H H 1 0.277 0.004 . . . 82 THR N . 82 THR H 27179 2 74 . 1 1 106 106 VAL N N 15 . 1 1 106 106 VAL H H 1 0.281 0.073 . . . 83 VAL N . 83 VAL H 27179 2 75 . 1 1 107 107 ASN N N 15 . 1 1 107 107 ASN H H 1 0.179 0.005 . . . 84 ASN N . 84 ASN H 27179 2 76 . 1 1 108 108 ALA N N 15 . 1 1 108 108 ALA H H 1 0.308 0.030 . . . 85 ALA N . 85 ALA H 27179 2 77 . 1 1 109 109 HIS N N 15 . 1 1 109 109 HIS H H 1 0.275 0.003 . . . 86 HIS N . 86 HIS H 27179 2 78 . 1 1 110 110 GLN N N 15 . 1 1 110 110 GLN H H 1 0.194 0.024 . . . 87 GLN N . 87 GLN H 27179 2 79 . 1 1 111 111 ILE N N 15 . 1 1 111 111 ILE H H 1 0.210 0.032 . . . 88 ILE N . 88 ILE H 27179 2 80 . 1 1 112 112 LEU N N 15 . 1 1 112 112 LEU H H 1 0.219 0.099 . . . 89 LEU N . 89 LEU H 27179 2 81 . 1 1 114 114 LYS N N 15 . 1 1 114 114 LYS H H 1 0.232 0.043 . . . 91 LYS N . 91 LYS H 27179 2 82 . 1 1 115 115 VAL N N 15 . 1 1 115 115 VAL H H 1 0.233 0.027 . . . 92 VAL N . 92 VAL H 27179 2 83 . 1 1 116 116 LEU N N 15 . 1 1 116 116 LEU H H 1 0.551 0.146 . . . 93 LEU N . 93 LEU H 27179 2 84 . 1 1 117 117 HIS N N 15 . 1 1 117 117 HIS H H 1 0.281 0.035 . . . 94 HIS N . 94 HIS H 27179 2 85 . 1 1 118 118 LYS N N 15 . 1 1 118 118 LYS H H 1 0.288 0.080 . . . 95 LYS N . 95 LYS H 27179 2 86 . 1 1 119 119 ARG N N 15 . 1 1 119 119 ARG H H 1 0.349 0.062 . . . 96 ARG N . 96 ARG H 27179 2 87 . 1 1 120 120 THR N N 15 . 1 1 120 120 THR H H 1 0.333 0.034 . . . 97 THR N . 97 THR H 27179 2 88 . 1 1 121 121 LEU N N 15 . 1 1 121 121 LEU H H 1 0.333 0.044 . . . 98 LEU N . 98 LEU H 27179 2 89 . 1 1 122 122 GLY N N 15 . 1 1 122 122 GLY H H 1 0.257 0.004 . . . 99 GLY N . 99 GLY H 27179 2 90 . 1 1 123 123 LEU N N 15 . 1 1 123 123 LEU H H 1 0.434 0.014 . . . 100 LEU N . 100 LEU H 27179 2 91 . 1 1 124 124 SER N N 15 . 1 1 124 124 SER H H 1 0.365 0.014 . . . 101 SER N . 101 SER H 27179 2 92 . 1 1 125 125 ALA N N 15 . 1 1 125 125 ALA H H 1 0.483 0.001 . . . 102 ALA N . 102 ALA H 27179 2 93 . 1 1 126 126 MET N N 15 . 1 1 126 126 MET H H 1 0.406 0.046 . . . 103 MET N . 103 MET H 27179 2 94 . 1 1 127 127 SER N N 15 . 1 1 127 127 SER H H 1 0.424 0.181 . . . 104 SER N . 104 SER H 27179 2 95 . 1 1 145 145 GLU N N 15 . 1 1 145 145 GLU H H 1 0.041 0.032 . . . 122 GLU N . 122 GLU H 27179 2 96 . 1 1 158 158 GLY N N 15 . 1 1 158 158 GLY H H 1 0.700 0.114 . . . 135 GLY N . 135 GLY H 27179 2 97 . 1 1 159 159 GLY N N 15 . 1 1 159 159 GLY H H 1 0.530 0.129 . . . 136 GLY N . 136 GLY H 27179 2 98 . 1 1 160 160 SER N N 15 . 1 1 160 160 SER H H 1 0.345 0.011 . . . 137 SER N . 137 SER H 27179 2 99 . 1 1 161 161 ARG N N 15 . 1 1 161 161 ARG H H 1 0.355 0.013 . . . 138 ARG N . 138 ARG H 27179 2 100 . 1 1 162 162 HIS N N 15 . 1 1 162 162 HIS H H 1 0.535 0.002 . . . 139 HIS N . 139 HIS H 27179 2 101 . 1 1 163 163 LYS N N 15 . 1 1 163 163 LYS H H 1 0.348 0.014 . . . 140 LYS N . 140 LYS H 27179 2 102 . 1 1 164 164 LEU N N 15 . 1 1 164 164 LEU H H 1 0.172 0.012 . . . 141 LEU N . 141 LEU H 27179 2 103 . 1 1 165 165 VAL N N 15 . 1 1 165 165 VAL H H 1 0.222 0.028 . . . 142 VAL N . 142 VAL H 27179 2 104 . 1 1 166 166 SER N N 15 . 1 1 166 166 SER H H 1 0.321 0.051 . . . 143 SER N . 143 SER H 27179 2 105 . 1 1 167 167 ALA N N 15 . 1 1 167 167 ALA H H 1 0.147 0.021 . . . 144 ALA N . 144 ALA H 27179 2 106 . 1 1 169 169 ALA N N 15 . 1 1 169 169 ALA H H 1 0.304 0.052 . . . 146 ALA N . 146 ALA H 27179 2 107 . 1 1 171 171 SER N N 15 . 1 1 171 171 SER H H 1 0.188 0.001 . . . 148 SER N . 148 SER H 27179 2 108 . 1 1 172 172 ASN N N 15 . 1 1 172 172 ASN H H 1 0.290 0.036 . . . 149 ASN N . 149 ASN H 27179 2 109 . 1 1 173 173 PHE N N 15 . 1 1 173 173 PHE H H 1 0.352 0.005 . . . 150 PHE N . 150 PHE H 27179 2 110 . 1 1 174 174 PHE N N 15 . 1 1 174 174 PHE H H 1 0.229 0.064 . . . 151 PHE N . 151 PHE H 27179 2 111 . 1 1 175 175 THR N N 15 . 1 1 175 175 THR H H 1 0.020 0.018 . . . 152 THR N . 152 THR H 27179 2 112 . 1 1 176 176 SER N N 15 . 1 1 176 176 SER H H 1 -0.040 0.023 . . . 153 SER N . 153 SER H 27179 2 stop_ save_ ######################################## # Heteronuclear T1 relaxation values # ######################################## save_heteronuclear_R1_list_1 _Heteronucl_T1_list.Sf_category heteronucl_T1_relaxation _Heteronucl_T1_list.Sf_framecode heteronuclear_R1_list_1 _Heteronucl_T1_list.Entry_ID 27179 _Heteronucl_T1_list.ID 1 _Heteronucl_T1_list.Name . _Heteronucl_T1_list.Sample_condition_list_ID 1 _Heteronucl_T1_list.Sample_condition_list_label $sample_conditions_1 _Heteronucl_T1_list.Spectrometer_frequency_1H 600 _Heteronucl_T1_list.T1_coherence_type Sz _Heteronucl_T1_list.T1_val_units s-1 _Heteronucl_T1_list.Details . _Heteronucl_T1_list.Text_data_format . _Heteronucl_T1_list.Text_data . loop_ _Heteronucl_T1_experiment.Experiment_ID _Heteronucl_T1_experiment.Experiment_name _Heteronucl_T1_experiment.Sample_ID _Heteronucl_T1_experiment.Sample_label _Heteronucl_T1_experiment.Sample_state _Heteronucl_T1_experiment.Entry_ID _Heteronucl_T1_experiment.Heteronucl_T1_list_ID 1 '2D 1H-15N HSQC' . . . 27179 1 stop_ loop_ _T1.ID _T1.Assembly_atom_ID _T1.Entity_assembly_ID _T1.Entity_ID _T1.Comp_index_ID _T1.Seq_ID _T1.Comp_ID _T1.Atom_ID _T1.Atom_type _T1.Atom_isotope_number _T1.Val _T1.Val_err _T1.Resonance_ID _T1.Auth_entity_assembly_ID _T1.Auth_seq_ID _T1.Auth_comp_ID _T1.Auth_atom_ID _T1.Entry_ID _T1.Heteronucl_T1_list_ID 1 . 1 1 25 25 ALA N N 15 1.262 0.011 . . 2 ALA N 27179 1 2 . 1 1 26 26 ALA N N 15 1.344 0.015 . . 3 ALA N 27179 1 3 . 1 1 27 27 ARG N N 15 1.372 0.009 . . 4 ARG N 27179 1 4 . 1 1 28 28 LEU N N 15 1.471 0.001 . . 5 LEU N 27179 1 5 . 1 1 29 29 SER N N 15 1.372 0.039 . . 6 SER N 27179 1 6 . 1 1 30 30 SER N N 15 1.411 0.040 . . 7 SER N 27179 1 7 . 1 1 31 31 GLN N N 15 1.439 0.023 . . 8 GLN N 27179 1 8 . 1 1 32 32 LEU N N 15 1.524 0.026 . . 9 LEU N 27179 1 9 . 1 1 33 33 ASP N N 15 1.422 0.058 . . 10 ASP N 27179 1 10 . 1 1 35 35 ALA N N 15 1.484 0.011 . . 12 ALA N 27179 1 11 . 1 1 36 36 ARG N N 15 1.494 0.036 . . 13 ARG N 27179 1 12 . 1 1 37 37 ASP N N 15 1.482 0.012 . . 14 ASP N 27179 1 13 . 1 1 38 38 VAL N N 15 1.517 0.076 . . 15 VAL N 27179 1 14 . 1 1 39 39 LEU N N 15 1.472 0.086 . . 16 LEU N 27179 1 15 . 1 1 40 40 SER N N 15 1.468 0.015 . . 17 SER N 27179 1 16 . 1 1 41 41 LEU N N 15 1.457 0.037 . . 18 LEU N 27179 1 17 . 1 1 42 42 ARG N N 15 1.424 0.091 . . 19 ARG N 27179 1 18 . 1 1 44 44 VAL N N 15 1.355 0.001 . . 21 VAL N 27179 1 19 . 1 1 45 45 GLY N N 15 1.356 0.028 . . 22 GLY N 27179 1 20 . 1 1 46 46 ALA N N 15 1.295 0.042 . . 23 ALA N 27179 1 21 . 1 1 47 47 GLU N N 15 1.301 0.004 . . 24 GLU N 27179 1 22 . 1 1 48 48 SER N N 15 1.293 0.004 . . 25 SER N 27179 1 23 . 1 1 49 49 ARG N N 15 1.349 0.021 . . 26 ARG N 27179 1 24 . 1 1 50 50 GLY N N 15 1.301 0.040 . . 27 GLY N 27179 1 25 . 1 1 51 51 ARG N N 15 1.329 0.015 . . 28 ARG N 27179 1 26 . 1 1 53 53 PHE N N 15 1.419 0.006 . . 30 PHE N 27179 1 27 . 1 1 54 54 SER N N 15 1.308 0.036 . . 31 SER N 27179 1 28 . 1 1 55 55 GLY N N 15 1.282 0.022 . . 32 GLY N 27179 1 29 . 1 1 56 56 SER N N 15 1.309 0.013 . . 33 SER N 27179 1 30 . 1 1 57 57 LEU N N 15 1.279 0.006 . . 34 LEU N 27179 1 31 . 1 1 58 58 GLY N N 15 1.231 0.050 . . 35 GLY N 27179 1 32 . 1 1 59 59 THR N N 15 1.238 0.021 . . 36 THR N 27179 1 33 . 1 1 60 60 LEU N N 15 1.250 0.017 . . 37 LEU N 27179 1 34 . 1 1 61 61 SER N N 15 1.148 0.041 . . 38 SER N 27179 1 35 . 1 1 62 62 SER N N 15 1.111 0.047 . . 39 SER N 27179 1 36 . 1 1 64 64 SER N N 15 1.151 0.017 . . 41 SER N 27179 1 37 . 1 1 66 66 SER N N 15 1.195 0.029 . . 43 SER N 27179 1 38 . 1 1 67 67 ALA N N 15 1.215 0.003 . . 44 ALA N 27179 1 39 . 1 1 68 68 VAL N N 15 1.244 0.005 . . 45 VAL N 27179 1 40 . 1 1 70 70 THR N N 15 1.284 0.053 . . 47 THR N 27179 1 41 . 1 1 71 71 ASP N N 15 1.404 0.016 . . 48 ASP N 27179 1 42 . 1 1 72 72 HIS N N 15 1.431 0.048 . . 49 HIS N 27179 1 43 . 1 1 73 73 GLY N N 15 1.359 0.107 . . 50 GLY N 27179 1 44 . 1 1 74 74 ALA N N 15 1.376 0.003 . . 51 ALA N 27179 1 45 . 1 1 75 75 HIS N N 15 1.362 0.030 . . 52 HIS N 27179 1 46 . 1 1 76 76 LEU N N 15 1.426 0.082 . . 53 LEU N 27179 1 47 . 1 1 77 77 SER N N 15 1.387 0.035 . . 54 SER N 27179 1 48 . 1 1 78 78 LEU N N 15 1.424 0.020 . . 55 LEU N 27179 1 49 . 1 1 79 79 ARG N N 15 1.380 0.005 . . 56 ARG N 27179 1 50 . 1 1 80 80 GLY N N 15 1.445 0.018 . . 57 GLY N 27179 1 51 . 1 1 81 81 LEU N N 15 1.516 0.069 . . 58 LEU N 27179 1 52 . 1 1 83 83 VAL N N 15 1.426 0.013 . . 60 VAL N 27179 1 53 . 1 1 84 84 SER N N 15 1.444 0.037 . . 61 SER N 27179 1 54 . 1 1 85 85 ALA N N 15 1.471 0.017 . . 62 ALA N 27179 1 55 . 1 1 86 86 PHE N N 15 1.405 0.004 . . 63 PHE N 27179 1 56 . 1 1 87 87 SER N N 15 1.394 0.001 . . 64 SER N 27179 1 57 . 1 1 88 88 SER N N 15 1.411 0.034 . . 65 SER N 27179 1 58 . 1 1 89 89 ALA N N 15 1.385 0.007 . . 66 ALA N 27179 1 59 . 1 1 90 90 GLY N N 15 1.209 0.044 . . 67 GLY N 27179 1 60 . 1 1 92 92 SER N N 15 1.324 0.023 . . 69 SER N 27179 1 61 . 1 1 93 93 ALA N N 15 1.431 0.036 . . 70 ALA N 27179 1 62 . 1 1 94 94 LEU N N 15 1.431 0.078 . . 71 LEU N 27179 1 63 . 1 1 95 95 ARG N N 15 1.512 0.030 . . 72 ARG N 27179 1 64 . 1 1 96 96 PHE N N 15 1.515 0.005 . . 73 PHE N 27179 1 65 . 1 1 97 97 THR N N 15 1.418 0.076 . . 74 THR N 27179 1 66 . 1 1 98 98 SER N N 15 1.434 0.030 . . 75 SER N 27179 1 67 . 1 1 99 99 ALA N N 15 1.416 0.003 . . 76 ALA N 27179 1 68 . 1 1 100 100 ARG N N 15 1.418 0.035 . . 77 ARG N 27179 1 69 . 1 1 101 101 ARG N N 15 1.449 0.007 . . 78 ARG N 27179 1 70 . 1 1 102 102 MET N N 15 1.341 0.104 . . 79 MET N 27179 1 71 . 1 1 103 103 GLU N N 15 1.349 0.141 . . 80 GLU N 27179 1 72 . 1 1 104 104 THR N N 15 1.312 0.012 . . 81 THR N 27179 1 73 . 1 1 105 105 THR N N 15 1.343 0.104 . . 82 THR N 27179 1 74 . 1 1 106 106 VAL N N 15 1.352 0.022 . . 83 VAL N 27179 1 75 . 1 1 107 107 ASN N N 15 1.384 0.036 . . 84 ASN N 27179 1 76 . 1 1 108 108 ALA N N 15 1.395 0.077 . . 85 ALA N 27179 1 77 . 1 1 109 109 HIS N N 15 1.434 0.048 . . 86 HIS N 27179 1 78 . 1 1 110 110 GLN N N 15 1.383 0.093 . . 87 GLN N 27179 1 79 . 1 1 111 111 ILE N N 15 1.299 0.147 . . 88 ILE N 27179 1 80 . 1 1 112 112 LEU N N 15 1.316 0.083 . . 89 LEU N 27179 1 81 . 1 1 114 114 LYS N N 15 1.467 0.206 . . 91 LYS N 27179 1 82 . 1 1 115 115 VAL N N 15 1.353 0.002 . . 92 VAL N 27179 1 83 . 1 1 116 116 LEU N N 15 1.271 0.025 . . 93 LEU N 27179 1 84 . 1 1 117 117 HIS N N 15 1.544 0.052 . . 94 HIS N 27179 1 85 . 1 1 118 118 LYS N N 15 1.395 0.064 . . 95 LYS N 27179 1 86 . 1 1 119 119 ARG N N 15 1.543 0.009 . . 96 ARG N 27179 1 87 . 1 1 120 120 THR N N 15 1.346 0.003 . . 97 THR N 27179 1 88 . 1 1 121 121 LEU N N 15 1.476 0.018 . . 98 LEU N 27179 1 89 . 1 1 122 122 GLY N N 15 1.404 0.003 . . 99 GLY N 27179 1 90 . 1 1 123 123 LEU N N 15 1.490 0.039 . . 100 LEU N 27179 1 91 . 1 1 124 124 SER N N 15 1.437 0.075 . . 101 SER N 27179 1 92 . 1 1 125 125 ALA N N 15 1.395 0.027 . . 102 ALA N 27179 1 93 . 1 1 126 126 MET N N 15 1.427 0.091 . . 103 MET N 27179 1 94 . 1 1 127 127 SER N N 15 1.252 0.074 . . 104 SER N 27179 1 95 . 1 1 145 145 GLU N N 15 1.165 0.142 . . 122 GLU N 27179 1 96 . 1 1 158 158 GLY N N 15 1.318 0.000 . . 135 GLY N 27179 1 97 . 1 1 159 159 GLY N N 15 1.463 0.024 . . 136 GLY N 27179 1 98 . 1 1 160 160 SER N N 15 1.469 0.038 . . 137 SER N 27179 1 99 . 1 1 161 161 ARG N N 15 1.447 0.013 . . 138 ARG N 27179 1 100 . 1 1 162 162 HIS N N 15 1.561 0.020 . . 139 HIS N 27179 1 101 . 1 1 163 163 LYS N N 15 1.443 0.030 . . 140 LYS N 27179 1 102 . 1 1 164 164 LEU N N 15 1.382 0.040 . . 141 LEU N 27179 1 103 . 1 1 165 165 VAL N N 15 1.304 0.022 . . 142 VAL N 27179 1 104 . 1 1 166 166 SER N N 15 1.279 0.054 . . 143 SER N 27179 1 105 . 1 1 167 167 ALA N N 15 1.174 0.028 . . 144 ALA N 27179 1 106 . 1 1 169 169 ALA N N 15 1.243 0.037 . . 146 ALA N 27179 1 107 . 1 1 171 171 SER N N 15 1.293 0.080 . . 148 SER N 27179 1 108 . 1 1 172 172 ASN N N 15 1.303 0.020 . . 149 ASN N 27179 1 109 . 1 1 173 173 PHE N N 15 1.293 0.020 . . 150 PHE N 27179 1 110 . 1 1 174 174 PHE N N 15 1.396 0.014 . . 151 PHE N 27179 1 111 . 1 1 175 175 THR N N 15 1.273 0.016 . . 152 THR N 27179 1 112 . 1 1 176 176 SER N N 15 1.132 0.005 . . 153 SER N 27179 1 stop_ save_ save_heteronuclear_R1_list_2 _Heteronucl_T1_list.Sf_category heteronucl_T1_relaxation _Heteronucl_T1_list.Sf_framecode heteronuclear_R1_list_2 _Heteronucl_T1_list.Entry_ID 27179 _Heteronucl_T1_list.ID 2 _Heteronucl_T1_list.Name . _Heteronucl_T1_list.Sample_condition_list_ID 1 _Heteronucl_T1_list.Sample_condition_list_label $sample_conditions_1 _Heteronucl_T1_list.Spectrometer_frequency_1H 900 _Heteronucl_T1_list.T1_coherence_type Sz _Heteronucl_T1_list.T1_val_units s-1 _Heteronucl_T1_list.Details . _Heteronucl_T1_list.Text_data_format . _Heteronucl_T1_list.Text_data . loop_ _Heteronucl_T1_experiment.Experiment_ID _Heteronucl_T1_experiment.Experiment_name _Heteronucl_T1_experiment.Sample_ID _Heteronucl_T1_experiment.Sample_label _Heteronucl_T1_experiment.Sample_state _Heteronucl_T1_experiment.Entry_ID _Heteronucl_T1_experiment.Heteronucl_T1_list_ID 1 '2D 1H-15N HSQC' . . . 27179 2 stop_ loop_ _T1.ID _T1.Assembly_atom_ID _T1.Entity_assembly_ID _T1.Entity_ID _T1.Comp_index_ID _T1.Seq_ID _T1.Comp_ID _T1.Atom_ID _T1.Atom_type _T1.Atom_isotope_number _T1.Val _T1.Val_err _T1.Resonance_ID _T1.Auth_entity_assembly_ID _T1.Auth_seq_ID _T1.Auth_comp_ID _T1.Auth_atom_ID _T1.Entry_ID _T1.Heteronucl_T1_list_ID 1 . 1 1 25 25 ALA N N 15 1.233 0.029 . . 2 ALA N 27179 2 2 . 1 1 26 26 ALA N N 15 1.296 0.016 . . 3 ALA N 27179 2 3 . 1 1 27 27 ARG N N 15 1.323 0.009 . . 4 ARG N 27179 2 4 . 1 1 28 28 LEU N N 15 1.380 0.080 . . 5 LEU N 27179 2 5 . 1 1 29 29 SER N N 15 1.386 0.011 . . 6 SER N 27179 2 6 . 1 1 30 30 SER N N 15 1.340 0.037 . . 7 SER N 27179 2 7 . 1 1 31 31 GLN N N 15 1.369 0.030 . . 8 GLN N 27179 2 8 . 1 1 32 32 LEU N N 15 1.487 0.004 . . 9 LEU N 27179 2 9 . 1 1 35 35 ALA N N 15 1.394 0.013 . . 12 ALA N 27179 2 10 . 1 1 36 36 ARG N N 15 1.348 0.067 . . 13 ARG N 27179 2 11 . 1 1 37 37 ASP N N 15 1.529 0.046 . . 14 ASP N 27179 2 12 . 1 1 38 38 VAL N N 15 1.378 0.035 . . 15 VAL N 27179 2 13 . 1 1 39 39 LEU N N 15 1.466 0.028 . . 16 LEU N 27179 2 14 . 1 1 40 40 SER N N 15 1.370 0.021 . . 17 SER N 27179 2 15 . 1 1 41 41 LEU N N 15 1.394 0.034 . . 18 LEU N 27179 2 16 . 1 1 42 42 ARG N N 15 1.335 0.022 . . 19 ARG N 27179 2 17 . 1 1 43 43 PRO N N 15 1.357 0.012 . . 20 PRO N 27179 2 18 . 1 1 44 44 VAL N N 15 1.303 0.054 . . 21 VAL N 27179 2 19 . 1 1 45 45 GLY N N 15 1.329 0.010 . . 22 GLY N 27179 2 20 . 1 1 46 46 ALA N N 15 1.299 0.003 . . 23 ALA N 27179 2 21 . 1 1 47 47 GLU N N 15 1.342 0.006 . . 24 GLU N 27179 2 22 . 1 1 48 48 SER N N 15 1.323 0.018 . . 25 SER N 27179 2 23 . 1 1 50 50 GLY N N 15 1.338 0.075 . . 27 GLY N 27179 2 24 . 1 1 51 51 ARG N N 15 1.317 0.021 . . 28 ARG N 27179 2 25 . 1 1 53 53 PHE N N 15 1.406 0.025 . . 30 PHE N 27179 2 26 . 1 1 54 54 SER N N 15 1.274 0.010 . . 31 SER N 27179 2 27 . 1 1 55 55 GLY N N 15 1.221 0.001 . . 32 GLY N 27179 2 28 . 1 1 56 56 SER N N 15 1.320 0.028 . . 33 SER N 27179 2 29 . 1 1 57 57 LEU N N 15 1.244 0.008 . . 34 LEU N 27179 2 30 . 1 1 58 58 GLY N N 15 1.226 0.027 . . 35 GLY N 27179 2 31 . 1 1 59 59 THR N N 15 1.223 0.057 . . 36 THR N 27179 2 32 . 1 1 60 60 LEU N N 15 1.275 0.020 . . 37 LEU N 27179 2 33 . 1 1 61 61 SER N N 15 1.186 0.001 . . 38 SER N 27179 2 34 . 1 1 62 62 SER N N 15 1.200 0.026 . . 39 SER N 27179 2 35 . 1 1 64 64 SER N N 15 1.081 0.002 . . 41 SER N 27179 2 36 . 1 1 66 66 SER N N 15 1.254 0.003 . . 43 SER N 27179 2 37 . 1 1 67 67 ALA N N 15 1.207 0.009 . . 44 ALA N 27179 2 38 . 1 1 68 68 VAL N N 15 1.270 0.008 . . 45 VAL N 27179 2 39 . 1 1 70 70 THR N N 15 1.276 0.057 . . 47 THR N 27179 2 40 . 1 1 71 71 ASP N N 15 1.434 0.006 . . 48 ASP N 27179 2 41 . 1 1 72 72 HIS N N 15 1.470 0.019 . . 49 HIS N 27179 2 42 . 1 1 73 73 GLY N N 15 1.355 0.037 . . 50 GLY N 27179 2 43 . 1 1 74 74 ALA N N 15 1.368 0.081 . . 51 ALA N 27179 2 44 . 1 1 75 75 HIS N N 15 1.429 0.102 . . 52 HIS N 27179 2 45 . 1 1 76 76 LEU N N 15 1.380 0.024 . . 53 LEU N 27179 2 46 . 1 1 77 77 SER N N 15 1.367 0.026 . . 54 SER N 27179 2 47 . 1 1 78 78 LEU N N 15 1.359 0.004 . . 55 LEU N 27179 2 48 . 1 1 79 79 ARG N N 15 1.370 0.018 . . 56 ARG N 27179 2 49 . 1 1 80 80 GLY N N 15 1.319 0.022 . . 57 GLY N 27179 2 50 . 1 1 83 83 VAL N N 15 1.375 0.003 . . 60 VAL N 27179 2 51 . 1 1 84 84 SER N N 15 1.412 0.028 . . 61 SER N 27179 2 52 . 1 1 85 85 ALA N N 15 1.419 0.016 . . 62 ALA N 27179 2 53 . 1 1 86 86 PHE N N 15 1.389 0.009 . . 63 PHE N 27179 2 54 . 1 1 87 87 SER N N 15 1.314 0.021 . . 64 SER N 27179 2 55 . 1 1 88 88 SER N N 15 1.323 0.006 . . 65 SER N 27179 2 56 . 1 1 89 89 ALA N N 15 1.361 0.016 . . 66 ALA N 27179 2 57 . 1 1 90 90 GLY N N 15 1.153 0.031 . . 67 GLY N 27179 2 58 . 1 1 92 92 SER N N 15 1.297 0.031 . . 69 SER N 27179 2 59 . 1 1 93 93 ALA N N 15 1.470 0.065 . . 70 ALA N 27179 2 60 . 1 1 94 94 LEU N N 15 1.330 0.054 . . 71 LEU N 27179 2 61 . 1 1 95 95 ARG N N 15 1.470 0.070 . . 72 ARG N 27179 2 62 . 1 1 96 96 PHE N N 15 1.468 0.029 . . 73 PHE N 27179 2 63 . 1 1 97 97 THR N N 15 1.514 0.067 . . 74 THR N 27179 2 64 . 1 1 98 98 SER N N 15 1.285 0.024 . . 75 SER N 27179 2 65 . 1 1 99 99 ALA N N 15 1.301 0.079 . . 76 ALA N 27179 2 66 . 1 1 100 100 ARG N N 15 1.364 0.005 . . 77 ARG N 27179 2 67 . 1 1 102 102 MET N N 15 1.290 0.004 . . 79 MET N 27179 2 68 . 1 1 103 103 GLU N N 15 1.455 0.050 . . 80 GLU N 27179 2 69 . 1 1 104 104 THR N N 15 1.369 0.049 . . 81 THR N 27179 2 70 . 1 1 105 105 THR N N 15 1.299 0.018 . . 82 THR N 27179 2 71 . 1 1 106 106 VAL N N 15 1.351 0.051 . . 83 VAL N 27179 2 72 . 1 1 107 107 ASN N N 15 1.441 0.025 . . 84 ASN N 27179 2 73 . 1 1 108 108 ALA N N 15 1.257 0.065 . . 85 ALA N 27179 2 74 . 1 1 109 109 HIS N N 15 1.321 0.010 . . 86 HIS N 27179 2 75 . 1 1 110 110 GLN N N 15 1.354 0.030 . . 87 GLN N 27179 2 76 . 1 1 111 111 ILE N N 15 1.410 0.141 . . 88 ILE N 27179 2 77 . 1 1 112 112 LEU N N 15 1.210 0.050 . . 89 LEU N 27179 2 78 . 1 1 114 114 LYS N N 15 1.339 0.082 . . 91 LYS N 27179 2 79 . 1 1 115 115 VAL N N 15 1.356 0.034 . . 92 VAL N 27179 2 80 . 1 1 116 116 LEU N N 15 1.293 0.191 . . 93 LEU N 27179 2 81 . 1 1 117 117 HIS N N 15 1.329 0.012 . . 94 HIS N 27179 2 82 . 1 1 118 118 LYS N N 15 1.342 0.017 . . 95 LYS N 27179 2 83 . 1 1 119 119 ARG N N 15 1.448 0.082 . . 96 ARG N 27179 2 84 . 1 1 120 120 THR N N 15 1.338 0.014 . . 97 THR N 27179 2 85 . 1 1 121 121 LEU N N 15 1.261 0.022 . . 98 LEU N 27179 2 86 . 1 1 122 122 GLY N N 15 1.284 0.007 . . 99 GLY N 27179 2 87 . 1 1 123 123 LEU N N 15 1.295 0.005 . . 100 LEU N 27179 2 88 . 1 1 124 124 SER N N 15 1.236 0.041 . . 101 SER N 27179 2 89 . 1 1 125 125 ALA N N 15 1.270 0.092 . . 102 ALA N 27179 2 90 . 1 1 126 126 MET N N 15 1.256 0.049 . . 103 MET N 27179 2 91 . 1 1 127 127 SER N N 15 1.065 0.033 . . 104 SER N 27179 2 92 . 1 1 158 158 GLY N N 15 1.065 0.086 . . 135 GLY N 27179 2 93 . 1 1 159 159 GLY N N 15 1.258 0.021 . . 136 GLY N 27179 2 94 . 1 1 160 160 SER N N 15 1.278 0.043 . . 137 SER N 27179 2 95 . 1 1 161 161 ARG N N 15 1.346 0.008 . . 138 ARG N 27179 2 96 . 1 1 163 163 LYS N N 15 1.390 0.011 . . 140 LYS N 27179 2 97 . 1 1 164 164 LEU N N 15 1.302 0.053 . . 141 LEU N 27179 2 98 . 1 1 165 165 VAL N N 15 1.276 0.019 . . 142 VAL N 27179 2 99 . 1 1 166 166 SER N N 15 1.163 0.054 . . 143 SER N 27179 2 100 . 1 1 167 167 ALA N N 15 1.143 0.022 . . 144 ALA N 27179 2 101 . 1 1 169 169 ALA N N 15 1.204 0.020 . . 146 ALA N 27179 2 102 . 1 1 171 171 SER N N 15 1.247 0.053 . . 148 SER N 27179 2 103 . 1 1 172 172 ASN N N 15 1.415 0.020 . . 149 ASN N 27179 2 104 . 1 1 173 173 PHE N N 15 1.349 0.014 . . 150 PHE N 27179 2 105 . 1 1 174 174 PHE N N 15 1.407 0.035 . . 151 PHE N 27179 2 106 . 1 1 175 175 THR N N 15 1.300 0.017 . . 152 THR N 27179 2 107 . 1 1 176 176 SER N N 15 1.130 0.005 . . 153 SER N 27179 2 stop_ save_ ######################################## # Heteronuclear T2 relaxation values # ######################################## save_heteronuclear_R2_list_1 _Heteronucl_T2_list.Sf_category heteronucl_T2_relaxation _Heteronucl_T2_list.Sf_framecode heteronuclear_R2_list_1 _Heteronucl_T2_list.Entry_ID 27179 _Heteronucl_T2_list.ID 1 _Heteronucl_T2_list.Name . _Heteronucl_T2_list.Sample_condition_list_ID 1 _Heteronucl_T2_list.Sample_condition_list_label $sample_conditions_1 _Heteronucl_T2_list.Temp_calibration_method methanol _Heteronucl_T2_list.Temp_control_method 'single scan interleaving' _Heteronucl_T2_list.Spectrometer_frequency_1H 600 _Heteronucl_T2_list.T2_coherence_type S(+,-) _Heteronucl_T2_list.T2_val_units s-1 _Heteronucl_T2_list.Rex_units . _Heteronucl_T2_list.Details . _Heteronucl_T2_list.Text_data_format . _Heteronucl_T2_list.Text_data . loop_ _Heteronucl_T2_experiment.Experiment_ID _Heteronucl_T2_experiment.Experiment_name _Heteronucl_T2_experiment.Sample_ID _Heteronucl_T2_experiment.Sample_label _Heteronucl_T2_experiment.Sample_state _Heteronucl_T2_experiment.Entry_ID _Heteronucl_T2_experiment.Heteronucl_T2_list_ID 1 '2D 1H-15N HSQC' . . . 27179 1 stop_ loop_ _T2.ID _T2.Assembly_atom_ID _T2.Entity_assembly_ID _T2.Entity_ID _T2.Comp_index_ID _T2.Seq_ID _T2.Comp_ID _T2.Atom_ID _T2.Atom_type _T2.Atom_isotope_number _T2.T2_val _T2.T2_val_err _T2.Rex_val _T2.Rex_err _T2.Resonance_ID _T2.Auth_entity_assembly_ID _T2.Auth_seq_ID _T2.Auth_comp_ID _T2.Auth_atom_ID _T2.Entry_ID _T2.Heteronucl_T2_list_ID 1 . 1 1 25 25 ALA N N 15 3.045 0.081 . . . . 2 ALA N 27179 1 2 . 1 1 26 26 ALA N N 15 3.380 0.033 . . . . 3 ALA N 27179 1 3 . 1 1 27 27 ARG N N 15 3.939 0.077 . . . . 4 ARG N 27179 1 4 . 1 1 28 28 LEU N N 15 3.871 0.032 . . . . 5 LEU N 27179 1 5 . 1 1 29 29 SER N N 15 4.558 0.001 . . . . 6 SER N 27179 1 6 . 1 1 30 30 SER N N 15 4.662 0.022 . . . . 7 SER N 27179 1 7 . 1 1 31 31 GLN N N 15 3.590 0.163 . . . . 8 GLN N 27179 1 8 . 1 1 32 32 LEU N N 15 3.661 0.016 . . . . 9 LEU N 27179 1 9 . 1 1 33 33 ASP N N 15 3.206 0.217 . . . . 10 ASP N 27179 1 10 . 1 1 35 35 ALA N N 15 3.912 0.032 . . . . 12 ALA N 27179 1 11 . 1 1 36 36 ARG N N 15 5.236 0.166 . . . . 13 ARG N 27179 1 12 . 1 1 37 37 ASP N N 15 4.206 0.095 . . . . 14 ASP N 27179 1 13 . 1 1 38 38 VAL N N 15 4.614 0.035 . . . . 15 VAL N 27179 1 14 . 1 1 39 39 LEU N N 15 4.807 0.313 . . . . 16 LEU N 27179 1 15 . 1 1 40 40 SER N N 15 4.746 0.021 . . . . 17 SER N 27179 1 16 . 1 1 41 41 LEU N N 15 3.897 0.106 . . . . 18 LEU N 27179 1 17 . 1 1 42 42 ARG N N 15 3.705 0.118 . . . . 19 ARG N 27179 1 18 . 1 1 44 44 VAL N N 15 3.387 0.008 . . . . 21 VAL N 27179 1 19 . 1 1 45 45 GLY N N 15 2.578 0.087 . . . . 22 GLY N 27179 1 20 . 1 1 46 46 ALA N N 15 2.841 0.011 . . . . 23 ALA N 27179 1 21 . 1 1 47 47 GLU N N 15 2.845 0.042 . . . . 24 GLU N 27179 1 22 . 1 1 48 48 SER N N 15 3.404 0.002 . . . . 25 SER N 27179 1 23 . 1 1 49 49 ARG N N 15 2.644 0.048 . . . . 26 ARG N 27179 1 24 . 1 1 50 50 GLY N N 15 2.453 0.013 . . . . 27 GLY N 27179 1 25 . 1 1 51 51 ARG N N 15 2.597 0.054 . . . . 28 ARG N 27179 1 26 . 1 1 53 53 PHE N N 15 3.060 0.074 . . . . 30 PHE N 27179 1 27 . 1 1 54 54 SER N N 15 4.061 0.137 . . . . 31 SER N 27179 1 28 . 1 1 55 55 GLY N N 15 2.437 0.084 . . . . 32 GLY N 27179 1 29 . 1 1 56 56 SER N N 15 3.780 0.042 . . . . 33 SER N 27179 1 30 . 1 1 57 57 LEU N N 15 2.893 0.088 . . . . 34 LEU N 27179 1 31 . 1 1 58 58 GLY N N 15 2.749 0.026 . . . . 35 GLY N 27179 1 32 . 1 1 59 59 THR N N 15 2.811 0.141 . . . . 36 THR N 27179 1 33 . 1 1 60 60 LEU N N 15 2.702 0.026 . . . . 37 LEU N 27179 1 34 . 1 1 61 61 SER N N 15 3.294 0.045 . . . . 38 SER N 27179 1 35 . 1 1 62 62 SER N N 15 2.961 0.016 . . . . 39 SER N 27179 1 36 . 1 1 64 64 SER N N 15 3.453 0.008 . . . . 41 SER N 27179 1 37 . 1 1 66 66 SER N N 15 3.190 0.000 . . . . 43 SER N 27179 1 38 . 1 1 67 67 ALA N N 15 2.204 0.007 . . . . 44 ALA N 27179 1 39 . 1 1 68 68 VAL N N 15 2.757 0.044 . . . . 45 VAL N 27179 1 40 . 1 1 70 70 THR N N 15 2.907 0.163 . . . . 47 THR N 27179 1 41 . 1 1 71 71 ASP N N 15 3.461 0.116 . . . . 48 ASP N 27179 1 42 . 1 1 72 72 HIS N N 15 3.444 0.045 . . . . 49 HIS N 27179 1 43 . 1 1 73 73 GLY N N 15 2.873 0.018 . . . . 50 GLY N 27179 1 44 . 1 1 74 74 ALA N N 15 3.122 0.062 . . . . 51 ALA N 27179 1 45 . 1 1 75 75 HIS N N 15 3.975 0.002 . . . . 52 HIS N 27179 1 46 . 1 1 76 76 LEU N N 15 3.641 0.063 . . . . 53 LEU N 27179 1 47 . 1 1 77 77 SER N N 15 4.383 0.138 . . . . 54 SER N 27179 1 48 . 1 1 78 78 LEU N N 15 4.131 0.128 . . . . 55 LEU N 27179 1 49 . 1 1 79 79 ARG N N 15 3.723 0.076 . . . . 56 ARG N 27179 1 50 . 1 1 80 80 GLY N N 15 3.544 0.185 . . . . 57 GLY N 27179 1 51 . 1 1 81 81 LEU N N 15 4.137 0.051 . . . . 58 LEU N 27179 1 52 . 1 1 83 83 VAL N N 15 4.446 0.142 . . . . 60 VAL N 27179 1 53 . 1 1 84 84 SER N N 15 5.681 0.176 . . . . 61 SER N 27179 1 54 . 1 1 85 85 ALA N N 15 3.784 0.034 . . . . 62 ALA N 27179 1 55 . 1 1 86 86 PHE N N 15 4.906 0.067 . . . . 63 PHE N 27179 1 56 . 1 1 87 87 SER N N 15 4.807 0.138 . . . . 64 SER N 27179 1 57 . 1 1 88 88 SER N N 15 4.338 0.135 . . . . 65 SER N 27179 1 58 . 1 1 89 89 ALA N N 15 3.238 0.226 . . . . 66 ALA N 27179 1 59 . 1 1 90 90 GLY N N 15 2.730 0.000 . . . . 67 GLY N 27179 1 60 . 1 1 92 92 SER N N 15 4.595 0.050 . . . . 69 SER N 27179 1 61 . 1 1 93 93 ALA N N 15 3.741 0.142 . . . . 70 ALA N 27179 1 62 . 1 1 94 94 LEU N N 15 4.549 0.109 . . . . 71 LEU N 27179 1 63 . 1 1 95 95 ARG N N 15 4.330 0.174 . . . . 72 ARG N 27179 1 64 . 1 1 96 96 PHE N N 15 4.322 0.143 . . . . 73 PHE N 27179 1 65 . 1 1 97 97 THR N N 15 4.506 0.348 . . . . 74 THR N 27179 1 66 . 1 1 98 98 SER N N 15 5.042 0.222 . . . . 75 SER N 27179 1 67 . 1 1 99 99 ALA N N 15 4.164 0.036 . . . . 76 ALA N 27179 1 68 . 1 1 100 100 ARG N N 15 4.445 0.009 . . . . 77 ARG N 27179 1 69 . 1 1 101 101 ARG N N 15 4.070 0.020 . . . . 78 ARG N 27179 1 70 . 1 1 102 102 MET N N 15 3.587 0.155 . . . . 79 MET N 27179 1 71 . 1 1 103 103 GLU N N 15 3.707 0.046 . . . . 80 GLU N 27179 1 72 . 1 1 104 104 THR N N 15 4.349 0.068 . . . . 81 THR N 27179 1 73 . 1 1 105 105 THR N N 15 4.470 0.045 . . . . 82 THR N 27179 1 74 . 1 1 106 106 VAL N N 15 3.514 0.036 . . . . 83 VAL N 27179 1 75 . 1 1 107 107 ASN N N 15 3.615 0.152 . . . . 84 ASN N 27179 1 76 . 1 1 108 108 ALA N N 15 3.652 0.140 . . . . 85 ALA N 27179 1 77 . 1 1 109 109 HIS N N 15 5.148 0.392 . . . . 86 HIS N 27179 1 78 . 1 1 110 110 GLN N N 15 4.894 0.287 . . . . 87 GLN N 27179 1 79 . 1 1 111 111 ILE N N 15 5.686 0.306 . . . . 88 ILE N 27179 1 80 . 1 1 112 112 LEU N N 15 7.305 0.449 . . . . 89 LEU N 27179 1 81 . 1 1 114 114 LYS N N 15 5.928 0.026 . . . . 91 LYS N 27179 1 82 . 1 1 115 115 VAL N N 15 6.306 0.600 . . . . 92 VAL N 27179 1 83 . 1 1 116 116 LEU N N 15 8.329 0.157 . . . . 93 LEU N 27179 1 84 . 1 1 117 117 HIS N N 15 5.564 0.414 . . . . 94 HIS N 27179 1 85 . 1 1 118 118 LYS N N 15 5.562 0.051 . . . . 95 LYS N 27179 1 86 . 1 1 119 119 ARG N N 15 4.456 0.091 . . . . 96 ARG N 27179 1 87 . 1 1 120 120 THR N N 15 4.785 0.044 . . . . 97 THR N 27179 1 88 . 1 1 121 121 LEU N N 15 5.393 0.081 . . . . 98 LEU N 27179 1 89 . 1 1 122 122 GLY N N 15 4.208 0.039 . . . . 99 GLY N 27179 1 90 . 1 1 123 123 LEU N N 15 6.061 0.044 . . . . 100 LEU N 27179 1 91 . 1 1 124 124 SER N N 15 7.554 0.678 . . . . 101 SER N 27179 1 92 . 1 1 125 125 ALA N N 15 6.625 0.131 . . . . 102 ALA N 27179 1 93 . 1 1 126 126 MET N N 15 6.442 0.082 . . . . 103 MET N 27179 1 94 . 1 1 127 127 SER N N 15 8.285 0.827 . . . . 104 SER N 27179 1 95 . 1 1 145 145 GLU N N 15 3.272 0.480 . . . . 122 GLU N 27179 1 96 . 1 1 158 158 GLY N N 15 11.262 0.725 . . . . 135 GLY N 27179 1 97 . 1 1 159 159 GLY N N 15 6.996 0.689 . . . . 136 GLY N 27179 1 98 . 1 1 160 160 SER N N 15 5.875 0.160 . . . . 137 SER N 27179 1 99 . 1 1 161 161 ARG N N 15 5.431 0.073 . . . . 138 ARG N 27179 1 100 . 1 1 162 162 HIS N N 15 6.138 0.062 . . . . 139 HIS N 27179 1 101 . 1 1 163 163 LYS N N 15 4.421 0.125 . . . . 140 LYS N 27179 1 102 . 1 1 164 164 LEU N N 15 4.395 0.140 . . . . 141 LEU N 27179 1 103 . 1 1 165 165 VAL N N 15 3.870 0.227 . . . . 142 VAL N 27179 1 104 . 1 1 166 166 SER N N 15 4.331 0.076 . . . . 143 SER N 27179 1 105 . 1 1 167 167 ALA N N 15 2.619 0.268 . . . . 144 ALA N 27179 1 106 . 1 1 169 169 ALA N N 15 2.931 0.214 . . . . 146 ALA N 27179 1 107 . 1 1 171 171 SER N N 15 3.757 0.004 . . . . 148 SER N 27179 1 108 . 1 1 172 172 ASN N N 15 3.443 0.018 . . . . 149 ASN N 27179 1 109 . 1 1 173 173 PHE N N 15 4.017 0.009 . . . . 150 PHE N 27179 1 110 . 1 1 174 174 PHE N N 15 4.212 0.108 . . . . 151 PHE N 27179 1 111 . 1 1 175 175 THR N N 15 3.509 0.024 . . . . 152 THR N 27179 1 112 . 1 1 176 176 SER N N 15 2.936 0.059 . . . . 153 SER N 27179 1 stop_ save_ save_heteronuclear_R2_list_2 _Heteronucl_T2_list.Sf_category heteronucl_T2_relaxation _Heteronucl_T2_list.Sf_framecode heteronuclear_R2_list_2 _Heteronucl_T2_list.Entry_ID 27179 _Heteronucl_T2_list.ID 2 _Heteronucl_T2_list.Name . _Heteronucl_T2_list.Sample_condition_list_ID 1 _Heteronucl_T2_list.Sample_condition_list_label $sample_conditions_1 _Heteronucl_T2_list.Temp_calibration_method methanol _Heteronucl_T2_list.Temp_control_method 'single scan interleaving' _Heteronucl_T2_list.Spectrometer_frequency_1H 900 _Heteronucl_T2_list.T2_coherence_type S(+,-) _Heteronucl_T2_list.T2_val_units s-1 _Heteronucl_T2_list.Rex_units . _Heteronucl_T2_list.Details . _Heteronucl_T2_list.Text_data_format . _Heteronucl_T2_list.Text_data . loop_ _Heteronucl_T2_experiment.Experiment_ID _Heteronucl_T2_experiment.Experiment_name _Heteronucl_T2_experiment.Sample_ID _Heteronucl_T2_experiment.Sample_label _Heteronucl_T2_experiment.Sample_state _Heteronucl_T2_experiment.Entry_ID _Heteronucl_T2_experiment.Heteronucl_T2_list_ID 1 '2D 1H-15N HSQC' . . . 27179 2 stop_ loop_ _T2.ID _T2.Assembly_atom_ID _T2.Entity_assembly_ID _T2.Entity_ID _T2.Comp_index_ID _T2.Seq_ID _T2.Comp_ID _T2.Atom_ID _T2.Atom_type _T2.Atom_isotope_number _T2.T2_val _T2.T2_val_err _T2.Rex_val _T2.Rex_err _T2.Resonance_ID _T2.Auth_entity_assembly_ID _T2.Auth_seq_ID _T2.Auth_comp_ID _T2.Auth_atom_ID _T2.Entry_ID _T2.Heteronucl_T2_list_ID 1 . 1 1 25 25 ALA N N 15 3.618 0.021 . . . . 2 ALA N 27179 2 2 . 1 1 26 26 ALA N N 15 3.363 0.151 . . . . 3 ALA N 27179 2 3 . 1 1 27 27 ARG N N 15 4.033 0.019 . . . . 4 ARG N 27179 2 4 . 1 1 28 28 LEU N N 15 3.950 0.031 . . . . 5 LEU N 27179 2 5 . 1 1 29 29 SER N N 15 3.668 0.126 . . . . 6 SER N 27179 2 6 . 1 1 30 30 SER N N 15 3.798 0.221 . . . . 7 SER N 27179 2 7 . 1 1 31 31 GLN N N 15 4.407 0.056 . . . . 8 GLN N 27179 2 8 . 1 1 32 32 LEU N N 15 3.968 0.038 . . . . 9 LEU N 27179 2 9 . 1 1 35 35 ALA N N 15 4.722 0.045 . . . . 12 ALA N 27179 2 10 . 1 1 36 36 ARG N N 15 4.884 0.131 . . . . 13 ARG N 27179 2 11 . 1 1 37 37 ASP N N 15 4.516 0.208 . . . . 14 ASP N 27179 2 12 . 1 1 38 38 VAL N N 15 5.054 0.096 . . . . 15 VAL N 27179 2 13 . 1 1 39 39 LEU N N 15 5.341 0.120 . . . . 16 LEU N 27179 2 14 . 1 1 40 40 SER N N 15 4.426 0.119 . . . . 17 SER N 27179 2 15 . 1 1 41 41 LEU N N 15 3.934 0.068 . . . . 18 LEU N 27179 2 16 . 1 1 42 42 ARG N N 15 4.427 0.018 . . . . 19 ARG N 27179 2 17 . 1 1 44 44 VAL N N 15 3.551 0.034 . . . . 21 VAL N 27179 2 18 . 1 1 45 45 GLY N N 15 2.632 0.088 . . . . 22 GLY N 27179 2 19 . 1 1 46 46 ALA N N 15 2.664 0.063 . . . . 23 ALA N 27179 2 20 . 1 1 47 47 GLU N N 15 2.403 0.089 . . . . 24 GLU N 27179 2 21 . 1 1 48 48 SER N N 15 2.466 0.062 . . . . 25 SER N 27179 2 22 . 1 1 49 49 ARG N N 15 2.441 0.179 . . . . 26 ARG N 27179 2 23 . 1 1 50 50 GLY N N 15 2.326 0.113 . . . . 27 GLY N 27179 2 24 . 1 1 51 51 ARG N N 15 2.899 0.138 . . . . 28 ARG N 27179 2 25 . 1 1 53 53 PHE N N 15 3.289 0.065 . . . . 30 PHE N 27179 2 26 . 1 1 54 54 SER N N 15 3.883 0.003 . . . . 31 SER N 27179 2 27 . 1 1 55 55 GLY N N 15 2.364 0.047 . . . . 32 GLY N 27179 2 28 . 1 1 56 56 SER N N 15 3.329 0.080 . . . . 33 SER N 27179 2 29 . 1 1 57 57 LEU N N 15 2.567 0.053 . . . . 34 LEU N 27179 2 30 . 1 1 58 58 GLY N N 15 2.984 0.007 . . . . 35 GLY N 27179 2 31 . 1 1 59 59 THR N N 15 2.575 0.013 . . . . 36 THR N 27179 2 32 . 1 1 60 60 LEU N N 15 2.557 0.070 . . . . 37 LEU N 27179 2 33 . 1 1 61 61 SER N N 15 2.425 0.015 . . . . 38 SER N 27179 2 34 . 1 1 62 62 SER N N 15 2.413 0.069 . . . . 39 SER N 27179 2 35 . 1 1 64 64 SER N N 15 2.900 0.046 . . . . 41 SER N 27179 2 36 . 1 1 66 66 SER N N 15 2.480 0.084 . . . . 43 SER N 27179 2 37 . 1 1 67 67 ALA N N 15 2.402 0.004 . . . . 44 ALA N 27179 2 38 . 1 1 68 68 VAL N N 15 3.133 0.082 . . . . 45 VAL N 27179 2 39 . 1 1 70 70 THR N N 15 2.592 0.155 . . . . 47 THR N 27179 2 40 . 1 1 71 71 ASP N N 15 4.089 0.021 . . . . 48 ASP N 27179 2 41 . 1 1 72 72 HIS N N 15 3.316 0.279 . . . . 49 HIS N 27179 2 42 . 1 1 73 73 GLY N N 15 2.939 0.072 . . . . 50 GLY N 27179 2 43 . 1 1 74 74 ALA N N 15 3.259 0.032 . . . . 51 ALA N 27179 2 44 . 1 1 75 75 HIS N N 15 3.245 0.004 . . . . 52 HIS N 27179 2 45 . 1 1 76 76 LEU N N 15 3.993 0.019 . . . . 53 LEU N 27179 2 46 . 1 1 77 77 SER N N 15 3.909 0.133 . . . . 54 SER N 27179 2 47 . 1 1 78 78 LEU N N 15 4.624 0.153 . . . . 55 LEU N 27179 2 48 . 1 1 79 79 ARG N N 15 3.833 0.047 . . . . 56 ARG N 27179 2 49 . 1 1 80 80 GLY N N 15 4.454 0.045 . . . . 57 GLY N 27179 2 50 . 1 1 83 83 VAL N N 15 4.842 0.049 . . . . 60 VAL N 27179 2 51 . 1 1 84 84 SER N N 15 5.189 0.322 . . . . 61 SER N 27179 2 52 . 1 1 85 85 ALA N N 15 4.800 0.045 . . . . 62 ALA N 27179 2 53 . 1 1 86 86 PHE N N 15 4.881 0.159 . . . . 63 PHE N 27179 2 54 . 1 1 87 87 SER N N 15 5.088 0.223 . . . . 64 SER N 27179 2 55 . 1 1 88 88 SER N N 15 4.084 0.189 . . . . 65 SER N 27179 2 56 . 1 1 89 89 ALA N N 15 4.242 0.054 . . . . 66 ALA N 27179 2 57 . 1 1 90 90 GLY N N 15 3.176 0.251 . . . . 67 GLY N 27179 2 58 . 1 1 92 92 SER N N 15 4.589 0.117 . . . . 69 SER N 27179 2 59 . 1 1 93 93 ALA N N 15 5.217 0.081 . . . . 70 ALA N 27179 2 60 . 1 1 94 94 LEU N N 15 5.298 0.271 . . . . 71 LEU N 27179 2 61 . 1 1 95 95 ARG N N 15 5.287 0.054 . . . . 72 ARG N 27179 2 62 . 1 1 96 96 PHE N N 15 5.695 0.211 . . . . 73 PHE N 27179 2 63 . 1 1 97 97 THR N N 15 5.353 0.148 . . . . 74 THR N 27179 2 64 . 1 1 98 98 SER N N 15 4.390 0.019 . . . . 75 SER N 27179 2 65 . 1 1 99 99 ALA N N 15 5.162 0.324 . . . . 76 ALA N 27179 2 66 . 1 1 100 100 ARG N N 15 4.797 0.040 . . . . 77 ARG N 27179 2 67 . 1 1 102 102 MET N N 15 4.612 0.270 . . . . 79 MET N 27179 2 68 . 1 1 103 103 GLU N N 15 4.718 0.182 . . . . 80 GLU N 27179 2 69 . 1 1 104 104 THR N N 15 4.316 0.057 . . . . 81 THR N 27179 2 70 . 1 1 105 105 THR N N 15 4.267 0.144 . . . . 82 THR N 27179 2 71 . 1 1 106 106 VAL N N 15 3.804 0.163 . . . . 83 VAL N 27179 2 72 . 1 1 107 107 ASN N N 15 4.597 0.041 . . . . 84 ASN N 27179 2 73 . 1 1 108 108 ALA N N 15 4.937 0.199 . . . . 85 ALA N 27179 2 74 . 1 1 109 109 HIS N N 15 5.814 0.134 . . . . 86 HIS N 27179 2 75 . 1 1 110 110 GLN N N 15 6.753 0.193 . . . . 87 GLN N 27179 2 76 . 1 1 111 111 ILE N N 15 8.162 0.090 . . . . 88 ILE N 27179 2 77 . 1 1 112 112 LEU N N 15 11.372 0.160 . . . . 89 LEU N 27179 2 78 . 1 1 114 114 LYS N N 15 6.615 0.020 . . . . 91 LYS N 27179 2 79 . 1 1 115 115 VAL N N 15 9.523 0.195 . . . . 92 VAL N 27179 2 80 . 1 1 116 116 LEU N N 15 14.247 2.206 . . . . 93 LEU N 27179 2 81 . 1 1 117 117 HIS N N 15 5.715 0.177 . . . . 94 HIS N 27179 2 82 . 1 1 118 118 LYS N N 15 7.216 0.176 . . . . 95 LYS N 27179 2 83 . 1 1 119 119 ARG N N 15 6.019 0.017 . . . . 96 ARG N 27179 2 84 . 1 1 120 120 THR N N 15 3.974 0.045 . . . . 97 THR N 27179 2 85 . 1 1 121 121 LEU N N 15 6.178 0.408 . . . . 98 LEU N 27179 2 86 . 1 1 122 122 GLY N N 15 4.118 0.075 . . . . 99 GLY N 27179 2 87 . 1 1 123 123 LEU N N 15 7.226 0.223 . . . . 100 LEU N 27179 2 88 . 1 1 124 124 SER N N 15 8.847 0.013 . . . . 101 SER N 27179 2 89 . 1 1 125 125 ALA N N 15 10.788 0.012 . . . . 102 ALA N 27179 2 90 . 1 1 126 126 MET N N 15 7.202 0.198 . . . . 103 MET N 27179 2 91 . 1 1 127 127 SER N N 15 9.162 0.404 . . . . 104 SER N 27179 2 92 . 1 1 158 158 GLY N N 15 13.665 1.455 . . . . 135 GLY N 27179 2 93 . 1 1 159 159 GLY N N 15 9.656 0.044 . . . . 136 GLY N 27179 2 94 . 1 1 160 160 SER N N 15 6.451 0.027 . . . . 137 SER N 27179 2 95 . 1 1 161 161 ARG N N 15 6.501 0.036 . . . . 138 ARG N 27179 2 96 . 1 1 163 163 LYS N N 15 4.834 0.019 . . . . 140 LYS N 27179 2 97 . 1 1 164 164 LEU N N 15 4.295 0.014 . . . . 141 LEU N 27179 2 98 . 1 1 165 165 VAL N N 15 4.671 0.266 . . . . 142 VAL N 27179 2 99 . 1 1 166 166 SER N N 15 4.551 0.173 . . . . 143 SER N 27179 2 100 . 1 1 167 167 ALA N N 15 3.714 0.096 . . . . 144 ALA N 27179 2 101 . 1 1 169 169 ALA N N 15 3.845 0.112 . . . . 146 ALA N 27179 2 102 . 1 1 171 171 SER N N 15 3.909 0.064 . . . . 148 SER N 27179 2 103 . 1 1 172 172 ASN N N 15 3.810 0.159 . . . . 149 ASN N 27179 2 104 . 1 1 173 173 PHE N N 15 4.061 0.186 . . . . 150 PHE N 27179 2 105 . 1 1 174 174 PHE N N 15 4.090 0.318 . . . . 151 PHE N 27179 2 106 . 1 1 175 175 THR N N 15 3.001 0.095 . . . . 152 THR N 27179 2 107 . 1 1 176 176 SER N N 15 2.099 0.058 . . . . 153 SER N 27179 2 stop_ save_