data_50166 ####################### # Entry information # ####################### save_entry_information_1 _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information_1 _Entry.ID 50166 _Entry.Title ; P2MIN ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2020-01-22 _Entry.Accession_date 2020-01-22 _Entry.Last_release_date 2020-01-22 _Entry.Original_release_date 2020-01-22 _Entry.Origination author _Entry.Format_name . _Entry.NMR_STAR_version 3.2.6.0 _Entry.NMR_STAR_dict_location . _Entry.Original_NMR_STAR_version 3.2.6.0 _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 ; Protein structure corresponding to a 165 amino acid fragment of the C-terminal tail for the NhaP2 K+/H+ antiporter from Vibrio cholera ; _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 George Orriss . L. Mr . 50166 2 Vu To . . Mr . 50166 3 Aniel Moya-Torres . . Mr . 50166 4 Genevieve Seabrook . . Ms . 50166 5 Joe O'Neil . . Mr . 50166 6 Jorg Stetefeld . . Mr . 50166 stop_ loop_ _Entry_src.ID _Entry_src.Project_name _Entry_src.Organization_full_name _Entry_src.Organization_initials _Entry_src.Entry_ID 1 . 'University of Manitoba' . 50166 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 50166 spectral_peak_list 2 50166 theoretical_heteronucl_NOEs 2 50166 theoretical_heteronucl_T1_relaxation 2 50166 theoretical_heteronucl_T2_relaxation 1 50166 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 502 50166 '15N chemical shifts' 137 50166 '1H chemical shifts' 751 50166 stop_ loop_ _Release.Release_number _Release.Format_type _Release.Format_version _Release.Date _Release.Submission_date _Release.Type _Release.Author _Release.Detail _Release.Entry_ID 1 . . 2020-05-30 . original BMRB . 50166 stop_ save_ ############### # Citations # ############### save_citations_1_P2MIN _Citation.Sf_category citations _Citation.Sf_framecode citations_1_P2MIN _Citation.Entry_ID 50166 _Citation.ID 1 _Citation.Name P2MIN _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.PubMed_ID 32126231 _Citation.DOI . _Citation.Full_citation . _Citation.Title ; Solution Structure of the Cytoplasmic Domain of NhaP2 a K +/H + Antiporter From Vibrio Cholera ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'Biochim. Biophys. Acta Biomembr.' _Citation.Journal_name_full . _Citation.Journal_volume 1862 _Citation.Journal_issue 6 _Citation.Journal_ASTM . _Citation.Journal_ISSN 1879-2642 _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 183225 _Citation.Page_last 183225 _Citation.Year 2020 _Citation.Details . loop_ _Citation_author.Ordinal _Citation_author.Given_name _Citation_author.Family_name _Citation_author.First_initial _Citation_author.Middle_initials _Citation_author.Family_title _Citation_author.ORCID _Citation_author.Entry_ID _Citation_author.Citation_ID 1 George Orriss G. L. . . 50166 1 2 Vu To V. . . . 50166 1 3 Aniel Moya-Torres A. . . . 50166 1 4 Genevieve Seabrook G. . . . 50166 1 5 Joe O'Neil J. . . . 50166 1 6 Jorg Stetefeld J. . . . 50166 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly_1 _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly_1 _Assembly.Entry_ID 50166 _Assembly.ID 1 _Assembly.Name 'Single polypeptide chain' _Assembly.BMRB_code . _Assembly.Number_of_components 1 _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds no _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state . _Assembly.Molecular_mass 18903.63 _Assembly.Enzyme_commission_number . _Assembly.Details 'A single polypeptide chain which is organised into 2 domains that are connected by a flexible 20 amino acid linker.' _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 P2MIN 1 $entity_1 . . yes native no no . . . 50166 1 stop_ loop_ _Assembly_bio_function.Biological_function _Assembly_bio_function.Entry_ID _Assembly_bio_function.Assembly_ID 'The full length protein is an electroneutral antiporter for K+ and H+ ions across the inner membrane.' 50166 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity_1 _Entity.Sf_category entity _Entity.Sf_framecode entity_1 _Entity.Entry_ID 50166 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name 'Cytoplasmic tail of NhaP2 a K+/H+ antiporter from Vibrio cholera' _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID A _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; MTSEWELFIYKLKADKWCIG EPLRNLFMPEGTRIAAVFRD NQLLHPSGSTELCEGDTLCV MAQERDLESLSRLFSEAPEK ASLARFFGDFFLDIEAKLQD VALLYGLDLGELEADAKLKD LVLEHLGETPVLGDYFEWHG LQWVVADVVDWKVTKIGLRE NLYFQ ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq M1-Q165 _Entity.Polymer_author_seq_details ; Sequence corresponds to the 158 amino acid fragment consisting of T397 to R555 (the full length NhaP2 protein is 581 amino acid residues) plus an additional 6 residues (ENLYFQ) at the C-terminal end of the molecule which are the remnants of the TEV protease cleavage site after TEV treatment to remove the His6-tag. The 165th and final residue is the initiating Methionine that is required for the bacterial over-expression of the protein and which preceeds the first residue T2 observed in the NMR structure. The 158 amino acid fragment corresponds to the predicted RCK and TrkA-like domains found in the cytoplasmic tail of the NhaP2 K+/H+ antiporter. ; _Entity.Ambiguous_conformational_states no _Entity.Ambiguous_chem_comp_sites no _Entity.Nstd_monomer no _Entity.Nstd_chirality no _Entity.Nstd_linkage no _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 165 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'all free' _Entity.Src_method . _Entity.Parent_entity_ID 1 _Entity.Fragment P2MIN _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight . _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date . loop_ _Entity_db_link.Ordinal _Entity_db_link.Author_supplied _Entity_db_link.Database_code _Entity_db_link.Accession_code _Entity_db_link.Entry_mol_code _Entity_db_link.Entry_mol_name _Entity_db_link.Entry_experimental_method _Entity_db_link.Entry_structure_resolution _Entity_db_link.Entry_relation_type _Entity_db_link.Entry_details _Entity_db_link.Chimera_segment_ID _Entity_db_link.Seq_query_to_submitted_percent _Entity_db_link.Seq_subject_length _Entity_db_link.Seq_identity _Entity_db_link.Seq_positive _Entity_db_link.Seq_homology_expectation_val _Entity_db_link.Seq_align_begin _Entity_db_link.Seq_align_end _Entity_db_link.Seq_difference_details _Entity_db_link.Seq_alignment_details _Entity_db_link.Entry_ID _Entity_db_link.Entity_ID 1 yes EXPASY A5F4U3 . 'K+/H+ antiporter NhaP2' . . . . . . . . . . . . . . 50166 1 stop_ loop_ _Entity_biological_function.Biological_function _Entity_biological_function.Entry_ID _Entity_biological_function.Entity_ID 'The full length protein is an electroneutral antiporter for K+ and H+ ions across the inner membrane.' 50166 1 stop_ loop_ _Entity_comp_index.ID _Entity_comp_index.Auth_seq_ID _Entity_comp_index.Comp_ID _Entity_comp_index.Comp_label _Entity_comp_index.Entry_ID _Entity_comp_index.Entity_ID 1 . MET . 50166 1 2 . THR . 50166 1 3 . SER . 50166 1 4 . GLU . 50166 1 5 . TRP . 50166 1 6 . GLU . 50166 1 7 . LEU . 50166 1 8 . PHE . 50166 1 9 . ILE . 50166 1 10 . TYR . 50166 1 11 . LYS . 50166 1 12 . LEU . 50166 1 13 . LYS . 50166 1 14 . ALA . 50166 1 15 . ASP . 50166 1 16 . LYS . 50166 1 17 . TRP . 50166 1 18 . CYS . 50166 1 19 . ILE . 50166 1 20 . GLY . 50166 1 21 . GLU . 50166 1 22 . PRO . 50166 1 23 . LEU . 50166 1 24 . ARG . 50166 1 25 . ASN . 50166 1 26 . LEU . 50166 1 27 . PHE . 50166 1 28 . MET . 50166 1 29 . PRO . 50166 1 30 . GLU . 50166 1 31 . GLY . 50166 1 32 . THR . 50166 1 33 . ARG . 50166 1 34 . ILE . 50166 1 35 . ALA . 50166 1 36 . ALA . 50166 1 37 . VAL . 50166 1 38 . PHE . 50166 1 39 . ARG . 50166 1 40 . ASP . 50166 1 41 . ASN . 50166 1 42 . GLN . 50166 1 43 . LEU . 50166 1 44 . LEU . 50166 1 45 . HIS . 50166 1 46 . PRO . 50166 1 47 . SER . 50166 1 48 . GLY . 50166 1 49 . SER . 50166 1 50 . THR . 50166 1 51 . GLU . 50166 1 52 . LEU . 50166 1 53 . CYS . 50166 1 54 . GLU . 50166 1 55 . GLY . 50166 1 56 . ASP . 50166 1 57 . THR . 50166 1 58 . LEU . 50166 1 59 . CYS . 50166 1 60 . VAL . 50166 1 61 . MET . 50166 1 62 . ALA . 50166 1 63 . GLN . 50166 1 64 . GLU . 50166 1 65 . ARG . 50166 1 66 . ASP . 50166 1 67 . LEU . 50166 1 68 . GLU . 50166 1 69 . SER . 50166 1 70 . LEU . 50166 1 71 . SER . 50166 1 72 . ARG . 50166 1 73 . LEU . 50166 1 74 . PHE . 50166 1 75 . SER . 50166 1 76 . GLU . 50166 1 77 . ALA . 50166 1 78 . PRO . 50166 1 79 . GLU . 50166 1 80 . LYS . 50166 1 81 . ALA . 50166 1 82 . SER . 50166 1 83 . LEU . 50166 1 84 . ALA . 50166 1 85 . ARG . 50166 1 86 . PHE . 50166 1 87 . PHE . 50166 1 88 . GLY . 50166 1 89 . ASP . 50166 1 90 . PHE . 50166 1 91 . PHE . 50166 1 92 . LEU . 50166 1 93 . ASP . 50166 1 94 . ILE . 50166 1 95 . GLU . 50166 1 96 . ALA . 50166 1 97 . LYS . 50166 1 98 . LEU . 50166 1 99 . GLN . 50166 1 100 . ASP . 50166 1 101 . VAL . 50166 1 102 . ALA . 50166 1 103 . LEU . 50166 1 104 . LEU . 50166 1 105 . TYR . 50166 1 106 . GLY . 50166 1 107 . LEU . 50166 1 108 . ASP . 50166 1 109 . LEU . 50166 1 110 . GLY . 50166 1 111 . GLU . 50166 1 112 . LEU . 50166 1 113 . GLU . 50166 1 114 . ALA . 50166 1 115 . ASP . 50166 1 116 . ALA . 50166 1 117 . LYS . 50166 1 118 . LEU . 50166 1 119 . LYS . 50166 1 120 . ASP . 50166 1 121 . LEU . 50166 1 122 . VAL . 50166 1 123 . LEU . 50166 1 124 . GLU . 50166 1 125 . HIS . 50166 1 126 . LEU . 50166 1 127 . GLY . 50166 1 128 . GLU . 50166 1 129 . THR . 50166 1 130 . PRO . 50166 1 131 . VAL . 50166 1 132 . LEU . 50166 1 133 . GLY . 50166 1 134 . ASP . 50166 1 135 . TYR . 50166 1 136 . PHE . 50166 1 137 . GLU . 50166 1 138 . TRP . 50166 1 139 . HIS . 50166 1 140 . GLY . 50166 1 141 . LEU . 50166 1 142 . GLN . 50166 1 143 . TRP . 50166 1 144 . VAL . 50166 1 145 . VAL . 50166 1 146 . ALA . 50166 1 147 . ASP . 50166 1 148 . VAL . 50166 1 149 . VAL . 50166 1 150 . ASP . 50166 1 151 . TRP . 50166 1 152 . LYS . 50166 1 153 . VAL . 50166 1 154 . THR . 50166 1 155 . LYS . 50166 1 156 . ILE . 50166 1 157 . GLY . 50166 1 158 . LEU . 50166 1 159 . ARG . 50166 1 160 . GLU . 50166 1 161 . ASN . 50166 1 162 . LEU . 50166 1 163 . TYR . 50166 1 164 . PHE . 50166 1 165 . GLN . 50166 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 50166 1 . THR 2 2 50166 1 . SER 3 3 50166 1 . GLU 4 4 50166 1 . TRP 5 5 50166 1 . GLU 6 6 50166 1 . LEU 7 7 50166 1 . PHE 8 8 50166 1 . ILE 9 9 50166 1 . TYR 10 10 50166 1 . LYS 11 11 50166 1 . LEU 12 12 50166 1 . LYS 13 13 50166 1 . ALA 14 14 50166 1 . ASP 15 15 50166 1 . LYS 16 16 50166 1 . TRP 17 17 50166 1 . CYS 18 18 50166 1 . ILE 19 19 50166 1 . GLY 20 20 50166 1 . GLU 21 21 50166 1 . PRO 22 22 50166 1 . LEU 23 23 50166 1 . ARG 24 24 50166 1 . ASN 25 25 50166 1 . LEU 26 26 50166 1 . PHE 27 27 50166 1 . MET 28 28 50166 1 . PRO 29 29 50166 1 . GLU 30 30 50166 1 . GLY 31 31 50166 1 . THR 32 32 50166 1 . ARG 33 33 50166 1 . ILE 34 34 50166 1 . ALA 35 35 50166 1 . ALA 36 36 50166 1 . VAL 37 37 50166 1 . PHE 38 38 50166 1 . ARG 39 39 50166 1 . ASP 40 40 50166 1 . ASN 41 41 50166 1 . GLN 42 42 50166 1 . LEU 43 43 50166 1 . LEU 44 44 50166 1 . HIS 45 45 50166 1 . PRO 46 46 50166 1 . SER 47 47 50166 1 . GLY 48 48 50166 1 . SER 49 49 50166 1 . THR 50 50 50166 1 . GLU 51 51 50166 1 . LEU 52 52 50166 1 . CYS 53 53 50166 1 . GLU 54 54 50166 1 . GLY 55 55 50166 1 . ASP 56 56 50166 1 . THR 57 57 50166 1 . LEU 58 58 50166 1 . CYS 59 59 50166 1 . VAL 60 60 50166 1 . MET 61 61 50166 1 . ALA 62 62 50166 1 . GLN 63 63 50166 1 . GLU 64 64 50166 1 . ARG 65 65 50166 1 . ASP 66 66 50166 1 . LEU 67 67 50166 1 . GLU 68 68 50166 1 . SER 69 69 50166 1 . LEU 70 70 50166 1 . SER 71 71 50166 1 . ARG 72 72 50166 1 . LEU 73 73 50166 1 . PHE 74 74 50166 1 . SER 75 75 50166 1 . GLU 76 76 50166 1 . ALA 77 77 50166 1 . PRO 78 78 50166 1 . GLU 79 79 50166 1 . LYS 80 80 50166 1 . ALA 81 81 50166 1 . SER 82 82 50166 1 . LEU 83 83 50166 1 . ALA 84 84 50166 1 . ARG 85 85 50166 1 . PHE 86 86 50166 1 . PHE 87 87 50166 1 . GLY 88 88 50166 1 . ASP 89 89 50166 1 . PHE 90 90 50166 1 . PHE 91 91 50166 1 . LEU 92 92 50166 1 . ASP 93 93 50166 1 . ILE 94 94 50166 1 . GLU 95 95 50166 1 . ALA 96 96 50166 1 . LYS 97 97 50166 1 . LEU 98 98 50166 1 . GLN 99 99 50166 1 . ASP 100 100 50166 1 . VAL 101 101 50166 1 . ALA 102 102 50166 1 . LEU 103 103 50166 1 . LEU 104 104 50166 1 . TYR 105 105 50166 1 . GLY 106 106 50166 1 . LEU 107 107 50166 1 . ASP 108 108 50166 1 . LEU 109 109 50166 1 . GLY 110 110 50166 1 . GLU 111 111 50166 1 . LEU 112 112 50166 1 . GLU 113 113 50166 1 . ALA 114 114 50166 1 . ASP 115 115 50166 1 . ALA 116 116 50166 1 . LYS 117 117 50166 1 . LEU 118 118 50166 1 . LYS 119 119 50166 1 . ASP 120 120 50166 1 . LEU 121 121 50166 1 . VAL 122 122 50166 1 . LEU 123 123 50166 1 . GLU 124 124 50166 1 . HIS 125 125 50166 1 . LEU 126 126 50166 1 . GLY 127 127 50166 1 . GLU 128 128 50166 1 . THR 129 129 50166 1 . PRO 130 130 50166 1 . VAL 131 131 50166 1 . LEU 132 132 50166 1 . GLY 133 133 50166 1 . ASP 134 134 50166 1 . TYR 135 135 50166 1 . PHE 136 136 50166 1 . GLU 137 137 50166 1 . TRP 138 138 50166 1 . HIS 139 139 50166 1 . GLY 140 140 50166 1 . LEU 141 141 50166 1 . GLN 142 142 50166 1 . TRP 143 143 50166 1 . VAL 144 144 50166 1 . VAL 145 145 50166 1 . ALA 146 146 50166 1 . ASP 147 147 50166 1 . VAL 148 148 50166 1 . VAL 149 149 50166 1 . ASP 150 150 50166 1 . TRP 151 151 50166 1 . LYS 152 152 50166 1 . VAL 153 153 50166 1 . THR 154 154 50166 1 . LYS 155 155 50166 1 . ILE 156 156 50166 1 . GLY 157 157 50166 1 . LEU 158 158 50166 1 . ARG 159 159 50166 1 . GLU 160 160 50166 1 . ASN 161 161 50166 1 . LEU 162 162 50166 1 . TYR 163 163 50166 1 . PHE 164 164 50166 1 . GLN 165 165 50166 1 stop_ save_ #################### # Natural source # #################### save_natural_source_1 _Entity_natural_src_list.Sf_category natural_source _Entity_natural_src_list.Sf_framecode natural_source_1 _Entity_natural_src_list.Entry_ID 50166 _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 $entity_1 . 666 organism . 'Vibrio cholera' 'Vibrio cholera' . . Bacteria . Vibrio cholera . . . . . . . . . . . . . 50166 1 stop_ save_ ######################### # Experimental source # ######################### save_experimental_source_1 _Entity_experimental_src_list.Sf_category experimental_source _Entity_experimental_src_list.Sf_framecode experimental_source_1 _Entity_experimental_src_list.Entry_ID 50166 _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 $entity_1 . 'recombinant technology' 'Escherichia coli' . . . . . 'Rosetta 2' . . plasmid . . pET-21a(+) . . . 50166 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1_P2MIN _Sample.Sf_category sample _Sample.Sf_framecode sample_1_P2MIN _Sample.Entry_ID 50166 _Sample.ID 1 _Sample.Name P2MIN _Sample.Type solution _Sample.Sub_type . _Sample.Details ; Buffer used for NMR experiments contained 20 mM MES-NaOH pH 6.5, 150 mM NaCl, 5 mM TCEP, 0.1 mM AEBSF (4-(2-aminoethyl) benzenesulfonyl fluoride hydrochloride) and 0.02% sodium azide ; _Sample.Aggregate_sample_number 1 _Sample.Solvent_system '93% H2O/7% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 P2MIN '[U-100% 15N]' . . 1 $entity_1 . . 550-600 . . uM . . . . 50166 1 2 MES-NaOH 'natural abundance' . . . . . . 20 . . mM . . . . 50166 1 3 NaCl 'natural abundance' . . . . . . 150 . . mM . . . . 50166 1 4 TCEP 'natural abundance' . . . . . . 5 . . mM . . . . 50166 1 5 'AEBSF (4-(2-aminoethyl) benzenesulfonyl fluoride hydrochloride)' 'natural abundance' . . . . . . 0.1 . . mM . . . . 50166 1 6 'sodium azide' 'natural abundance' . . . . . . 0.02 . . %v . . . . 50166 1 stop_ save_ save_sample_2_P2MIN _Sample.Sf_category sample _Sample.Sf_framecode sample_2_P2MIN _Sample.Entry_ID 50166 _Sample.ID 2 _Sample.Name P2MIN _Sample.Type solution _Sample.Sub_type . _Sample.Details ; Buffer used for NMR experiments contained 20 mM MES-NaOH pH 6.5, 150 mM NaCl, 5 mM TCEP, 0.1 mM AEBSF (4-(2-aminoethyl) benzenesulfonyl fluoride hydrochloride) and 0.02% sodium azide ; _Sample.Aggregate_sample_number 1 _Sample.Solvent_system '93% H2O/7% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 P2MIN '[U-100% 13C; U-100% 15N]' . . 1 $entity_1 . . 550-600 . . uM . . . . 50166 2 2 MES-NaOH 'natural abundance' . . . . . . 20 . . mM . . . . 50166 2 3 NaCl 'natural abundance' . . . . . . 150 . . mM . . . . 50166 2 4 TCEP 'natural abundance' . . . . . . 5 . . mM . . . . 50166 2 5 'AEBSF (4-(2-aminoethyl) benzenesulfonyl fluoride hydrochloride)' 'natural abundance' . . . . . . 0.1 . . mM . . . . 50166 2 6 'sodium azide' 'natural abundance' . . . . . . 0.02 . . %v . . . . 50166 2 stop_ save_ save_sample_3_P2MIN _Sample.Sf_category sample _Sample.Sf_framecode sample_3_P2MIN _Sample.Entry_ID 50166 _Sample.ID 3 _Sample.Name P2MIN _Sample.Type solution _Sample.Sub_type . _Sample.Details ; Buffer used for NMR experiments contained 20 mM MES-NaOH pH 6.5, 150 mM NaCl, 5 mM TCEP, 0.1 mM AEBSF (4-(2-aminoethyl) benzenesulfonyl fluoride hydrochloride) and 0.02% sodium azide ; _Sample.Aggregate_sample_number 1 _Sample.Solvent_system '100% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 P2MIN '[U-100% 13C]' . . 1 $entity_1 . . 550-600 . . uM . . . . 50166 3 2 MES-NaOH 'natural abundance' . . . . . . 20 . . mM . . . . 50166 3 3 NaCl 'natural abundance' . . . . . . 150 . . mM . . . . 50166 3 4 TCEP 'natural abundance' . . . . . . 5 . . mM . . . . 50166 3 5 'AEBSF (4-(2-aminoethyl) benzenesulfonyl fluoride hydrochloride)' 'natural abundance' . . . . . . 0.1 . . mM . . . . 50166 3 6 'sodium azide' 'natural abundance' . . . . . . 0.02 . . %v/v . . . . 50166 3 stop_ save_ ####################### # Sample conditions # ####################### save_sample_conditions_1_P2MIN_15N_labelled _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode sample_conditions_1_P2MIN_15N_labelled _Sample_condition_list.Entry_ID 50166 _Sample_condition_list.ID 1 _Sample_condition_list.Name 'P2MIN 15N labelled' _Sample_condition_list.Details ; NMR measurements were made in a buffer containing 20 mM MES-NaOH pH 6.5, 0.15 M NaCl, 5 mM TCEP, 0.1 mM AEBSF (4-(2-aminoethyl) benzenesulfonyl fluoride hydrochloride) and 0.02% sodium azide at 300degK supplemented with 7 % (v/v) deuterium oxide and 5 uM DSS (4,4-dimethyl-4-silapentane-1-sulfonic acid) and sealed under argon. ; loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID 'ionic strength' 0.15 . M 50166 1 pH 6.5 . pH 50166 1 pressure 1 . atm 50166 1 temperature 300 . K 50166 1 stop_ save_ save_sample_conditions_4_P2MIN_15N_and_13C_labelled _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode sample_conditions_4_P2MIN_15N_and_13C_labelled _Sample_condition_list.Entry_ID 50166 _Sample_condition_list.ID 2 _Sample_condition_list.Name 'P2MIN 15N and 13C labelled' _Sample_condition_list.Details ; NMR measurements were made in a buffer containing 20 mM MES-NaOH pH 6.5, 0.15 M NaCl, 5 mM TCEP, 0.1 mM AEBSF (4-(2-aminoethyl) benzenesulfonyl fluoride hydrochloride) and 0.02% sodium azide at 300degK supplemented with 7 % (v/v) deuterium oxide and 5 uM DSS (4,4-dimethyl-4-silapentane-1-sulfonic acid) and sealed under argon. ; loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID 'ionic strength' 0.15 . M 50166 2 pH 6.5 . pH 50166 2 pressure 1 . atm 50166 2 temperature 300 . K 50166 2 stop_ save_ save_sample_conditions_3_P2MIN_13C_labelled _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode sample_conditions_3_P2MIN_13C_labelled _Sample_condition_list.Entry_ID 50166 _Sample_condition_list.ID 3 _Sample_condition_list.Name 'P2MIN 13C labelled' _Sample_condition_list.Details ; NMR measurements were made in a buffer prepared in 100 % (v/v) deuterium oxide containing 20 mM MES-NaOH pH 6.5, 0.15 M NaCl, 5 mM TCEP, 0.1 mM AEBSF (4-(2-aminoethyl) benzenesulfonyl fluoride hydrochloride) and 0.02% sodium azide at 300degK supplemented with 5 uM DSS (4,4-dimethyl-4-silapentane-1-sulfonic acid) and sealed under argon. ; loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID 'ionic strength' 0.15 . M 50166 3 pH 6.5 . pH 50166 3 pressure 1 . atm 50166 3 temperature 300 . K 50166 3 stop_ save_ save_sample_conditions_2_P2MIN_13C_labelled _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode sample_conditions_2_P2MIN_13C_labelled _Sample_condition_list.Entry_ID 50166 _Sample_condition_list.ID 4 _Sample_condition_list.Name 'P2MIN 13C labelled' _Sample_condition_list.Details ; NMR measurements were made in a buffer containing 20 mM MES-NaOH pH 6.5, 150 mM NaCl, 5 mM TCEP, 0.1 mM AEBSF (4-(2-aminoethyl) benzenesulfonyl fluoride hydrochloride) and 0.02% sodium azide at 300degK supplemented with supplemented with 7 % (v/v) deuterium oxide and 5 uM DSS (4,4-dimethyl-4-silapentane-1-sulfonic acid) and sealed under argon. ; loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID 'ionic strength' 0.15 . M 50166 4 pH 6.5 . pH 50166 4 pressure 1 . atm 50166 4 temperature 300 . K 50166 4 stop_ save_ ############################ # Computer software used # ############################ save_software_1_NMRPipe _Software.Sf_category software _Software.Sf_framecode software_1_NMRPipe _Software.Entry_ID 50166 _Software.ID 1 _Software.Type . _Software.Name NMRPipe _Software.Version . _Software.DOI 10.1007/bf00197809 _Software.Details 'NMRPipe: a multidimensional spectral processing system based on UNIX pipes.' loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax' ; Laboratory of Chemical Physics, National Institute of Diabetes and Digestive and Kidney Diseases, National Institutes of Health, Bethesda, MD 20892-0520, USA. ; adriaan.bax@nih.gov 50166 1 stop_ loop_ _Task.Software_module _Task.Task _Task.Entry_ID _Task.Software_ID NMRPipe processing 50166 1 stop_ save_ save_software_3_SPARKY _Software.Sf_category software _Software.Sf_framecode software_3_SPARKY _Software.Entry_ID 50166 _Software.ID 2 _Software.Type . _Software.Name SPARKY _Software.Version 3.1.34 _Software.DOI 10.1093/bioinformatics/btu830. _Software.Details 'NMRFAM-SPARKY: enhanced software for biomolecular NMR spectroscopy.' loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Wonghee Lee' ; National Magnetics Resonance Facility at Madison, Biochemistry Department, University of Wisconsin-Madison, Madison, WI 53706, USA. ; whlee@nmrfam.wisc.edu 50166 2 stop_ loop_ _Task.Software_module _Task.Task _Task.Entry_ID _Task.Software_ID SPARKY 'chemical shift assignment' 50166 2 stop_ save_ save_software_2_TALOS _Software.Sf_category software _Software.Sf_framecode software_2_TALOS _Software.Entry_ID 50166 _Software.ID 3 _Software.Type . _Software.Name TALOS _Software.Version . _Software.DOI 10.1007/s10858-013-9741-y _Software.Details 'TALOS-N: Prediction of Protein Backbone and Sidechain Torsion Angles from NMR Chemical Shifts' loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Cornilescu, Delaglio and Bax' ; Laboratory of Chemical Physics, National Institute of Diabetes and Digestive and Kidney Diseases, National Institutes of Health, Bethesda, MD 20892-0520, USA. ; adriaan.bax@nih.gov 50166 3 stop_ loop_ _Task.Software_module _Task.Task _Task.Entry_ID _Task.Software_ID TALOS-N 'Backbone and sidechain Torsion Angles prediction' 50166 3 stop_ save_ save_software_5_PONDEROSA _Software.Sf_category software _Software.Sf_framecode software_5_PONDEROSA _Software.Entry_ID 50166 _Software.ID 4 _Software.Type . _Software.Name PONDEROSA _Software.Version . _Software.DOI 10.1007/s10858-016-0029-x _Software.Details 'Integrative NMR for biomolecular research' loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID PONDEROSA 'National Magnetics Resonance Facility at Madison, Biochemistry Department, University of Wisconsin-Madison, Madison, WI' whlee@nmrfam.wisc.edu 50166 4 stop_ loop_ _Task.Software_module _Task.Task _Task.Entry_ID _Task.Software_ID C/S-PONDEROSA 'structure solution' 50166 4 stop_ save_ save_software_6_TOPSPIN _Software.Sf_category software _Software.Sf_framecode software_6_TOPSPIN _Software.Entry_ID 50166 _Software.ID 5 _Software.Type . _Software.Name TOPSPIN _Software.Version 4.0 _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Bruker Biospin' . . 50166 5 stop_ loop_ _Task.Software_module _Task.Task _Task.Entry_ID _Task.Software_ID TOPSPIN 'data acquisition and analysis' 50166 5 stop_ save_ save_software_7_VNMRj _Software.Sf_category software _Software.Sf_framecode software_7_VNMRj _Software.Entry_ID 50166 _Software.ID 6 _Software.Type . _Software.Name VNMRj _Software.Version . _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID Varian . . 50166 6 stop_ loop_ _Task.Software_module _Task.Task _Task.Entry_ID _Task.Software_ID . collection 50166 6 stop_ save_ save_software_8_Relax _Software.Sf_category software _Software.Sf_framecode software_8_Relax _Software.Entry_ID 50166 _Software.ID 7 _Software.Type . _Software.Name Relax _Software.Version 4.1 _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID "d'Auvergne, E. J. and Gooley, P. R." . . 50166 7 stop_ loop_ _Task.Software_module _Task.Task _Task.Entry_ID _Task.Software_ID . 'data analysis' 50166 7 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_NMR_spectrometer_1_Bruker_AVANCE_III_HD _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer_1_Bruker_AVANCE_III_HD _NMR_spectrometer.Entry_ID 50166 _NMR_spectrometer.ID 1 _NMR_spectrometer.Name 'Bruker AVANCE III HD' _NMR_spectrometer.Details 'Bruker Avance III HD NMR spectrometer equipped with a triple-resonance cryoprobe.' _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 800 save_ save_NMR_spectrometer_3_Bruker_AVANCE_III_HD _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer_3_Bruker_AVANCE_III_HD _NMR_spectrometer.Entry_ID 50166 _NMR_spectrometer.ID 2 _NMR_spectrometer.Name 'Bruker AVANCE III HD' _NMR_spectrometer.Details 'Bruker Avance III NMR spectrometer with a 5 mm, triple axis XYZ gradient TCI H&F-C/N-D CryoProbe' _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 700 save_ save_NMR_spectrometer_2_Varian_600 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer_2_Varian_600 _NMR_spectrometer.Entry_ID 50166 _NMR_spectrometer.ID 3 _NMR_spectrometer.Name 'Varian 600' _NMR_spectrometer.Details 'Varian Inova 600 MHz NMR spectrometer equipped with a triple-resonance probe.' _NMR_spectrometer.Manufacturer Varian _NMR_spectrometer.Model INOVA _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ ############################# # NMR applied experiments # ############################# save_experiment_list_1 _Experiment_list.Sf_category experiment_list _Experiment_list.Sf_framecode experiment_list_1 _Experiment_list.Entry_ID 50166 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NMR_spec_expt_ID _Experiment.NMR_spec_expt_label _Experiment.MS_expt_ID _Experiment.MS_expt_label _Experiment.SAXS_expt_ID _Experiment.SAXS_expt_label _Experiment.FRET_expt_ID _Experiment.FRET_expt_label _Experiment.EMR_expt_ID _Experiment.EMR_expt_label _Experiment.Sample_ID _Experiment.Sample_label _Experiment.Sample_state _Experiment.Sample_volume _Experiment.Sample_volume_units _Experiment.Sample_condition_list_ID _Experiment.Sample_condition_list_label _Experiment.Sample_spinning_rate _Experiment.Sample_angle _Experiment.NMR_tube_type _Experiment.NMR_spectrometer_ID _Experiment.NMR_spectrometer_label _Experiment.NMR_spectrometer_probe_ID _Experiment.NMR_spectrometer_probe_label _Experiment.NMR_spectral_processing_ID _Experiment.NMR_spectral_processing_label _Experiment.Mass_spectrometer_ID _Experiment.Mass_spectrometer_label _Experiment.Xray_instrument_ID _Experiment.Xray_instrument_label _Experiment.Fluorescence_instrument_ID _Experiment.Fluorescence_instrument_label _Experiment.EMR_instrument_ID _Experiment.EMR_instrument_label _Experiment.Chromatographic_system_ID _Experiment.Chromatographic_system_label _Experiment.Chromatographic_column_ID _Experiment.Chromatographic_column_label _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 '2D 1H-15N HSQC' no . . . . . . . . . . 1 $sample_1_P2MIN isotropic . . 1 $sample_conditions_1_P2MIN_15N_labelled . . . 1 $NMR_spectrometer_1_Bruker_AVANCE_III_HD . . . . . . . . . . . . . . . . 50166 1 2 '3D HNCO' no . . . . . . . . . . 1 $sample_1_P2MIN isotropic . . 1 $sample_conditions_1_P2MIN_15N_labelled . . . 1 $NMR_spectrometer_1_Bruker_AVANCE_III_HD . . . . . . . . . . . . . . . . 50166 1 3 '3D HN(CO)CA' no . . . . . . . . . . 1 $sample_1_P2MIN isotropic . . 1 $sample_conditions_1_P2MIN_15N_labelled . . . 1 $NMR_spectrometer_1_Bruker_AVANCE_III_HD . . . . . . . . . . . . . . . . 50166 1 4 '3D HNCA' no . . . . . . . . . . 1 $sample_1_P2MIN isotropic . . 1 $sample_conditions_1_P2MIN_15N_labelled . . . 1 $NMR_spectrometer_1_Bruker_AVANCE_III_HD . . . . . . . . . . . . . . . . 50166 1 5 '3D CBCA(CO)NH' no . . . . . . . . . . 1 $sample_1_P2MIN isotropic . . 1 $sample_conditions_1_P2MIN_15N_labelled . . . 1 $NMR_spectrometer_1_Bruker_AVANCE_III_HD . . . . . . . . . . . . . . . . 50166 1 6 '3D HNCACB' no . . . . . . . . . . 1 $sample_1_P2MIN isotropic . . 1 $sample_conditions_1_P2MIN_15N_labelled . . . 1 $NMR_spectrometer_1_Bruker_AVANCE_III_HD . . . . . . . . . . . . . . . . 50166 1 7 '3D HNHA' no . . . . . . . . . . 1 $sample_1_P2MIN isotropic . . 1 $sample_conditions_1_P2MIN_15N_labelled . . . 1 $NMR_spectrometer_1_Bruker_AVANCE_III_HD . . . . . . . . . . . . . . . . 50166 1 8 '3D HNHB' no . . . . . . . . . . 1 $sample_1_P2MIN isotropic . . 1 $sample_conditions_1_P2MIN_15N_labelled . . . 1 $NMR_spectrometer_1_Bruker_AVANCE_III_HD . . . . . . . . . . . . . . . . 50166 1 9 '3D HCCH-TOCSY' no . . . . . . . . . . 1 $sample_1_P2MIN isotropic . . 2 $sample_conditions_4_P2MIN_15N_and_13C_labelled . . . 1 $NMR_spectrometer_1_Bruker_AVANCE_III_HD . . . . . . . . . . . . . . . . 50166 1 10 '3D CC(CO)NH' no . . . . . . . . . . 1 $sample_1_P2MIN isotropic . . 2 $sample_conditions_4_P2MIN_15N_and_13C_labelled . . . 1 $NMR_spectrometer_1_Bruker_AVANCE_III_HD . . . . . . . . . . . . . . . . 50166 1 11 '3D 1H-15N NOESY' no . . . . . . . . . . 1 $sample_1_P2MIN isotropic . . 1 $sample_conditions_1_P2MIN_15N_labelled . . . 1 $NMR_spectrometer_1_Bruker_AVANCE_III_HD . . . . . . . . . . . . . . . . 50166 1 12 '2D 1H-13C HSQC' no . . . . . . . . . . 1 $sample_1_P2MIN isotropic . . 3 $sample_conditions_3_P2MIN_13C_labelled . . . 1 $NMR_spectrometer_1_Bruker_AVANCE_III_HD . . . . . . . . . . . . . . . . 50166 1 13 '3D 1H-13C NOESY' no . . . . . . . . . . 1 $sample_1_P2MIN isotropic . . 3 $sample_conditions_3_P2MIN_13C_labelled . . . 1 $NMR_spectrometer_1_Bruker_AVANCE_III_HD . . . . . . . . . . . . . . . . 50166 1 stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chem_shift_reference_1_chemical_shift_references _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chem_shift_reference_1_chemical_shift_references _Chem_shift_reference.Entry_ID 50166 _Chem_shift_reference.ID 1 _Chem_shift_reference.Name 'chemical shift references' _Chem_shift_reference.Details . loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C 13 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.251449530 . . . . . 50166 1 H 1 DSS 'methyl protons' . . . . ppm 0.00 internal direct 1.000000000 . . . . . 50166 1 N 15 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.101329118 . . . . . 50166 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_chemical_shifts_1_P2MIN_Assigned_Chemical_Shifts _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chemical_shifts_1_P2MIN_Assigned_Chemical_Shifts _Assigned_chem_shift_list.Entry_ID 50166 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Name 'P2MIN_Assigned Chemical Shifts' _Assigned_chem_shift_list.Sample_condition_list_ID 2 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_4_P2MIN_15N_and_13C_labelled _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chem_shift_reference_1_chemical_shift_references _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' . . . 50166 1 2 '3D HNCO' . . . 50166 1 3 '3D HN(CO)CA' . . . 50166 1 4 '3D HNCA' . . . 50166 1 5 '3D CBCA(CO)NH' . . . 50166 1 6 '3D HNCACB' . . . 50166 1 7 '3D HNHA' . . . 50166 1 8 '3D HNHB' . . . 50166 1 9 '3D HCCH-TOCSY' . . . 50166 1 10 '3D CC(CO)NH' . . . 50166 1 11 '3D 1H-15N NOESY' . . . 50166 1 12 '2D 1H-13C HSQC' . . . 50166 1 13 '3D 1H-13C NOESY' . . . 50166 1 stop_ loop_ _Chem_shift_software.Software_ID _Chem_shift_software.Software_label _Chem_shift_software.Method_ID _Chem_shift_software.Method_label _Chem_shift_software.Entry_ID _Chem_shift_software.Assigned_chem_shift_list_ID 2 $software_3_SPARKY . . 50166 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 2 2 THR HA H 1 4.389 0.011 . . . . . . . 2 THR HA . 50166 1 2 . 1 . 1 2 2 THR HB H 1 4.216 0.007 . . . . . . . 2 THR HB . 50166 1 3 . 1 . 1 2 2 THR HG21 H 1 1.207 0.013 . . . . . . . 2 THR HG2 . 50166 1 4 . 1 . 1 2 2 THR HG22 H 1 1.207 0.013 . . . . . . . 2 THR HG2 . 50166 1 5 . 1 . 1 2 2 THR HG23 H 1 1.207 0.013 . . . . . . . 2 THR HG2 . 50166 1 6 . 1 . 1 2 2 THR C C 13 174.164 0.000 . . . . . . . 2 THR CO . 50166 1 7 . 1 . 1 2 2 THR CA C 13 62.253 0.066 . . . . . . . 2 THR CA . 50166 1 8 . 1 . 1 2 2 THR CB C 13 69.544 0.064 . . . . . . . 2 THR CB . 50166 1 9 . 1 . 1 2 2 THR CG2 C 13 21.725 0.054 . . . . . . . 2 THR CG . 50166 1 10 . 1 . 1 3 3 SER H H 1 8.351 0.005 . . . . . . . 3 SER H . 50166 1 11 . 1 . 1 3 3 SER HA H 1 4.429 0.009 . . . . . . . 3 SER HA . 50166 1 12 . 1 . 1 3 3 SER HB2 H 1 3.735 0.022 . . . . . . . 3 SER HB2 . 50166 1 13 . 1 . 1 3 3 SER HB3 H 1 3.672 0.009 . . . . . . . 3 SER HB3 . 50166 1 14 . 1 . 1 3 3 SER C C 13 174.031 0.015 . . . . . . . 3 SER CO . 50166 1 15 . 1 . 1 3 3 SER CA C 13 58.300 0.112 . . . . . . . 3 SER CA . 50166 1 16 . 1 . 1 3 3 SER CB C 13 63.750 0.100 . . . . . . . 3 SER CB . 50166 1 17 . 1 . 1 3 3 SER N N 15 117.750 0.069 . . . . . . . 3 SER N . 50166 1 18 . 1 . 1 4 4 GLU H H 1 8.430 0.006 . . . . . . . 4 GLU H . 50166 1 19 . 1 . 1 4 4 GLU HA H 1 4.278 0.006 . . . . . . . 4 GLU HA . 50166 1 20 . 1 . 1 4 4 GLU HB2 H 1 1.938 0.005 . . . . . . . 4 GLU HB2 . 50166 1 21 . 1 . 1 4 4 GLU HB3 H 1 1.766 0.005 . . . . . . . 4 GLU HB3 . 50166 1 22 . 1 . 1 4 4 GLU HG2 H 1 2.075 0.009 . . . . . . . 4 GLU HG2 . 50166 1 23 . 1 . 1 4 4 GLU C C 13 175.892 0.012 . . . . . . . 4 GLU CO . 50166 1 24 . 1 . 1 4 4 GLU CA C 13 56.608 0.046 . . . . . . . 4 GLU CA . 50166 1 25 . 1 . 1 4 4 GLU CB C 13 30.044 0.123 . . . . . . . 4 GLU CB . 50166 1 26 . 1 . 1 4 4 GLU CG C 13 36.307 0.027 . . . . . . . 4 GLU CG . 50166 1 27 . 1 . 1 4 4 GLU N N 15 122.504 0.080 . . . . . . . 4 GLU N . 50166 1 28 . 1 . 1 5 5 TRP H H 1 7.889 0.006 . . . . . . . 5 TRP H . 50166 1 29 . 1 . 1 5 5 TRP HA H 1 4.506 0.015 . . . . . . . 5 TRP HA . 50166 1 30 . 1 . 1 5 5 TRP HB2 H 1 3.051 0.010 . . . . . . . 5 TRP HB2 . 50166 1 31 . 1 . 1 5 5 TRP HD1 H 1 7.162 0.022 . . . . . . . 5 TRP HD1 . 50166 1 32 . 1 . 1 5 5 TRP HE1 H 1 10.104 0.029 . . . . . . . 5 TRP HE1 . 50166 1 33 . 1 . 1 5 5 TRP HE3 H 1 7.411 0.009 . . . . . . . 5 TRP HE3 . 50166 1 34 . 1 . 1 5 5 TRP C C 13 174.956 0.025 . . . . . . . 5 TRP CO . 50166 1 35 . 1 . 1 5 5 TRP CA C 13 57.612 0.144 . . . . . . . 5 TRP CA . 50166 1 36 . 1 . 1 5 5 TRP CB C 13 31.064 0.097 . . . . . . . 5 TRP CB . 50166 1 37 . 1 . 1 5 5 TRP N N 15 120.958 0.063 . . . . . . . 5 TRP N . 50166 1 38 . 1 . 1 6 6 GLU H H 1 8.998 0.005 . . . . . . . 6 GLU H . 50166 1 39 . 1 . 1 6 6 GLU HA H 1 4.524 0.010 . . . . . . . 6 GLU HA . 50166 1 40 . 1 . 1 6 6 GLU HB2 H 1 1.619 0.019 . . . . . . . 6 GLU HB2 . 50166 1 41 . 1 . 1 6 6 GLU HG2 H 1 2.119 0.006 . . . . . . . 6 GLU HG2 . 50166 1 42 . 1 . 1 6 6 GLU C C 13 172.767 0.008 . . . . . . . 6 GLU CO . 50166 1 43 . 1 . 1 6 6 GLU CA C 13 54.497 0.069 . . . . . . . 6 GLU CA . 50166 1 44 . 1 . 1 6 6 GLU CB C 13 33.329 0.095 . . . . . . . 6 GLU CB . 50166 1 45 . 1 . 1 6 6 GLU CG C 13 35.823 0.000 . . . . . . . 6 GLU CG . 50166 1 46 . 1 . 1 6 6 GLU N N 15 120.978 0.046 . . . . . . . 6 GLU N . 50166 1 47 . 1 . 1 7 7 LEU H H 1 7.929 0.009 . . . . . . . 7 LEU H . 50166 1 48 . 1 . 1 7 7 LEU HA H 1 4.957 0.004 . . . . . . . 7 LEU HA . 50166 1 49 . 1 . 1 7 7 LEU HB2 H 1 1.594 0.001 . . . . . . . 7 LEU HB2 . 50166 1 50 . 1 . 1 7 7 LEU HD11 H 1 0.631 0.000 . . . . . . . 7 LEU HD1 . 50166 1 51 . 1 . 1 7 7 LEU HD12 H 1 0.631 0.000 . . . . . . . 7 LEU HD1 . 50166 1 52 . 1 . 1 7 7 LEU HD13 H 1 0.631 0.000 . . . . . . . 7 LEU HD1 . 50166 1 53 . 1 . 1 7 7 LEU HD21 H 1 0.375 0.017 . . . . . . . 7 LEU HD2 . 50166 1 54 . 1 . 1 7 7 LEU HD22 H 1 0.375 0.017 . . . . . . . 7 LEU HD2 . 50166 1 55 . 1 . 1 7 7 LEU HD23 H 1 0.375 0.017 . . . . . . . 7 LEU HD2 . 50166 1 56 . 1 . 1 7 7 LEU C C 13 174.459 0.000 . . . . . . . 7 LEU CO . 50166 1 57 . 1 . 1 7 7 LEU CA C 13 52.772 0.130 . . . . . . . 7 LEU CA . 50166 1 58 . 1 . 1 7 7 LEU CB C 13 43.769 0.094 . . . . . . . 7 LEU CB . 50166 1 59 . 1 . 1 7 7 LEU CD1 C 13 25.564 0.127 . . . . . . . 7 LEU CD . 50166 1 60 . 1 . 1 7 7 LEU CD2 C 13 25.564 0.127 . . . . . . . 7 LEU CD . 50166 1 61 . 1 . 1 7 7 LEU N N 15 119.755 0.124 . . . . . . . 7 LEU N . 50166 1 62 . 1 . 1 8 8 PHE H H 1 9.287 0.008 . . . . . . . 8 PHE H . 50166 1 63 . 1 . 1 8 8 PHE HA H 1 5.054 0.008 . . . . . . . 8 PHE HA . 50166 1 64 . 1 . 1 8 8 PHE HB3 H 1 2.610 0.003 . . . . . . . 8 PHE HB3 . 50166 1 65 . 1 . 1 8 8 PHE HD1 H 1 6.902 0.010 . . . . . . . 8 PHE HD1 . 50166 1 66 . 1 . 1 8 8 PHE HE1 H 1 7.048 0.006 . . . . . . . 8 PHE HE1 . 50166 1 67 . 1 . 1 8 8 PHE C C 13 174.571 0.004 . . . . . . . 8 PHE CO . 50166 1 68 . 1 . 1 8 8 PHE CA C 13 55.781 0.066 . . . . . . . 8 PHE CA . 50166 1 69 . 1 . 1 8 8 PHE CB C 13 42.379 0.000 . . . . . . . 8 PHE CB . 50166 1 70 . 1 . 1 8 8 PHE N N 15 124.080 0.068 . . . . . . . 8 PHE N . 50166 1 71 . 1 . 1 9 9 ILE H H 1 9.022 0.002 . . . . . . . 9 ILE H . 50166 1 72 . 1 . 1 9 9 ILE HA H 1 4.552 0.006 . . . . . . . 9 ILE HA . 50166 1 73 . 1 . 1 9 9 ILE C C 13 172.722 0.000 . . . . . . . 9 ILE CO . 50166 1 74 . 1 . 1 9 9 ILE N N 15 120.860 0.010 . . . . . . . 9 ILE N . 50166 1 75 . 1 . 1 10 10 TYR H H 1 8.655 0.009 . . . . . . . 10 TYR H . 50166 1 76 . 1 . 1 10 10 TYR N N 15 124.768 0.106 . . . . . . . 10 TYR N . 50166 1 77 . 1 . 1 18 18 CYS HA H 1 3.841 0.011 . . . . . . . 18 CYS HA . 50166 1 78 . 1 . 1 18 18 CYS HB2 H 1 2.444 0.009 . . . . . . . 18 CYS HB2 . 50166 1 79 . 1 . 1 18 18 CYS C C 13 173.782 0.000 . . . . . . . 18 CYS CO . 50166 1 80 . 1 . 1 18 18 CYS CA C 13 56.347 0.038 . . . . . . . 18 CYS CA . 50166 1 81 . 1 . 1 18 18 CYS CB C 13 27.455 0.080 . . . . . . . 18 CYS CB . 50166 1 82 . 1 . 1 19 19 ILE H H 1 7.115 0.009 . . . . . . . 19 ILE H . 50166 1 83 . 1 . 1 19 19 ILE HA H 1 3.366 0.003 . . . . . . . 19 ILE HA . 50166 1 84 . 1 . 1 19 19 ILE HB H 1 1.840 0.005 . . . . . . . 19 ILE HB . 50166 1 85 . 1 . 1 19 19 ILE HG12 H 1 1.479 0.002 . . . . . . . 19 ILE HG12 . 50166 1 86 . 1 . 1 19 19 ILE HG21 H 1 1.108 0.000 . . . . . . . 19 ILE HG2 . 50166 1 87 . 1 . 1 19 19 ILE HG22 H 1 1.108 0.000 . . . . . . . 19 ILE HG2 . 50166 1 88 . 1 . 1 19 19 ILE HG23 H 1 1.108 0.000 . . . . . . . 19 ILE HG2 . 50166 1 89 . 1 . 1 19 19 ILE HD11 H 1 0.870 0.009 . . . . . . . 19 ILE HD1 . 50166 1 90 . 1 . 1 19 19 ILE HD12 H 1 0.870 0.009 . . . . . . . 19 ILE HD1 . 50166 1 91 . 1 . 1 19 19 ILE HD13 H 1 0.870 0.009 . . . . . . . 19 ILE HD1 . 50166 1 92 . 1 . 1 19 19 ILE C C 13 176.983 0.008 . . . . . . . 19 ILE CO . 50166 1 93 . 1 . 1 19 19 ILE CA C 13 62.194 0.090 . . . . . . . 19 ILE CA . 50166 1 94 . 1 . 1 19 19 ILE CB C 13 35.891 0.000 . . . . . . . 19 ILE CB . 50166 1 95 . 1 . 1 19 19 ILE N N 15 122.047 0.036 . . . . . . . 19 ILE N . 50166 1 96 . 1 . 1 20 20 GLY H H 1 8.687 0.007 . . . . . . . 20 GLY H . 50166 1 97 . 1 . 1 20 20 GLY HA2 H 1 4.236 0.007 . . . . . . . 20 GLY HA2 . 50166 1 98 . 1 . 1 20 20 GLY HA3 H 1 3.740 0.011 . . . . . . . 20 GLY HA3 . 50166 1 99 . 1 . 1 20 20 GLY C C 13 173.557 0.000 . . . . . . . 20 GLY CO . 50166 1 100 . 1 . 1 20 20 GLY CA C 13 45.036 0.152 . . . . . . . 20 GLY CA . 50166 1 101 . 1 . 1 20 20 GLY N N 15 115.850 0.050 . . . . . . . 20 GLY N . 50166 1 102 . 1 . 1 21 21 GLU H H 1 7.718 0.008 . . . . . . . 21 GLU H . 50166 1 103 . 1 . 1 21 21 GLU HA H 1 4.707 0.008 . . . . . . . 21 GLU HA . 50166 1 104 . 1 . 1 21 21 GLU HB2 H 1 1.934 0.018 . . . . . . . 21 GLU HB2 . 50166 1 105 . 1 . 1 21 21 GLU C C 13 174.211 0.000 . . . . . . . 21 GLU CO . 50166 1 106 . 1 . 1 21 21 GLU CA C 13 53.066 0.019 . . . . . . . 21 GLU CA . 50166 1 107 . 1 . 1 21 21 GLU CB C 13 30.546 0.000 . . . . . . . 21 GLU CB . 50166 1 108 . 1 . 1 21 21 GLU N N 15 119.791 0.114 . . . . . . . 21 GLU N . 50166 1 109 . 1 . 1 22 22 PRO HA H 1 4.719 0.015 . . . . . . . 22 PRO HA . 50166 1 110 . 1 . 1 22 22 PRO HB2 H 1 2.099 0.012 . . . . . . . 22 PRO HB2 . 50166 1 111 . 1 . 1 22 22 PRO C C 13 178.310 0.014 . . . . . . . 22 PRO CO . 50166 1 112 . 1 . 1 22 22 PRO CA C 13 61.694 0.115 . . . . . . . 22 PRO CA . 50166 1 113 . 1 . 1 22 22 PRO CB C 13 31.538 0.147 . . . . . . . 22 PRO CB . 50166 1 114 . 1 . 1 23 23 LEU H H 1 8.317 0.008 . . . . . . . 23 LEU H . 50166 1 115 . 1 . 1 23 23 LEU HA H 1 3.848 0.006 . . . . . . . 23 LEU HA . 50166 1 116 . 1 . 1 23 23 LEU HB2 H 1 1.611 0.000 . . . . . . . 23 LEU HB2 . 50166 1 117 . 1 . 1 23 23 LEU HG H 1 1.733 0.000 . . . . . . . 23 LEU HG . 50166 1 118 . 1 . 1 23 23 LEU HD11 H 1 0.855 0.010 . . . . . . . 23 LEU HD1 . 50166 1 119 . 1 . 1 23 23 LEU HD12 H 1 0.855 0.010 . . . . . . . 23 LEU HD1 . 50166 1 120 . 1 . 1 23 23 LEU HD13 H 1 0.855 0.010 . . . . . . . 23 LEU HD1 . 50166 1 121 . 1 . 1 23 23 LEU C C 13 179.320 0.013 . . . . . . . 23 LEU CO . 50166 1 122 . 1 . 1 23 23 LEU CA C 13 58.243 0.041 . . . . . . . 23 LEU CA . 50166 1 123 . 1 . 1 23 23 LEU CB C 13 41.537 0.024 . . . . . . . 23 LEU CB . 50166 1 124 . 1 . 1 23 23 LEU N N 15 124.170 0.062 . . . . . . . 23 LEU N . 50166 1 125 . 1 . 1 24 24 ARG H H 1 8.783 0.004 . . . . . . . 24 ARG H . 50166 1 126 . 1 . 1 24 24 ARG HA H 1 4.227 0.009 . . . . . . . 24 ARG HA . 50166 1 127 . 1 . 1 24 24 ARG HB2 H 1 1.912 0.009 . . . . . . . 24 ARG HB2 . 50166 1 128 . 1 . 1 24 24 ARG HB3 H 1 1.695 0.009 . . . . . . . 24 ARG HB3 . 50166 1 129 . 1 . 1 24 24 ARG HG2 H 1 1.453 0.008 . . . . . . . 24 ARG HG2 . 50166 1 130 . 1 . 1 24 24 ARG HD2 H 1 3.083 0.004 . . . . . . . 24 ARG HD2 . 50166 1 131 . 1 . 1 24 24 ARG C C 13 176.156 0.004 . . . . . . . 24 ARG CO . 50166 1 132 . 1 . 1 24 24 ARG CA C 13 57.609 0.117 . . . . . . . 24 ARG CA . 50166 1 133 . 1 . 1 24 24 ARG CB C 13 29.357 0.108 . . . . . . . 24 ARG CB . 50166 1 134 . 1 . 1 24 24 ARG CD C 13 43.256 0.090 . . . . . . . 24 ARG CD . 50166 1 135 . 1 . 1 24 24 ARG N N 15 114.964 0.069 . . . . . . . 24 ARG N . 50166 1 136 . 1 . 1 25 25 ASN H H 1 7.996 0.008 . . . . . . . 25 ASN H . 50166 1 137 . 1 . 1 25 25 ASN HA H 1 4.674 0.011 . . . . . . . 25 ASN HA . 50166 1 138 . 1 . 1 25 25 ASN HB2 H 1 3.078 0.012 . . . . . . . 25 ASN HB2 . 50166 1 139 . 1 . 1 25 25 ASN HB3 H 1 2.811 0.012 . . . . . . . 25 ASN HB3 . 50166 1 140 . 1 . 1 25 25 ASN C C 13 174.818 0.018 . . . . . . . 25 ASN CO . 50166 1 141 . 1 . 1 25 25 ASN CA C 13 52.463 0.152 . . . . . . . 25 ASN CA . 50166 1 142 . 1 . 1 25 25 ASN CB C 13 38.094 0.090 . . . . . . . 25 ASN CB . 50166 1 143 . 1 . 1 25 25 ASN N N 15 118.982 0.034 . . . . . . . 25 ASN N . 50166 1 144 . 1 . 1 26 26 LEU H H 1 7.516 0.011 . . . . . . . 26 LEU H . 50166 1 145 . 1 . 1 26 26 LEU HA H 1 4.320 0.013 . . . . . . . 26 LEU HA . 50166 1 146 . 1 . 1 26 26 LEU HB2 H 1 1.526 0.007 . . . . . . . 26 LEU HB2 . 50166 1 147 . 1 . 1 26 26 LEU HG H 1 1.660 0.011 . . . . . . . 26 LEU HG . 50166 1 148 . 1 . 1 26 26 LEU HD11 H 1 0.696 0.012 . . . . . . . 26 LEU HD1 . 50166 1 149 . 1 . 1 26 26 LEU HD12 H 1 0.696 0.012 . . . . . . . 26 LEU HD1 . 50166 1 150 . 1 . 1 26 26 LEU HD13 H 1 0.696 0.012 . . . . . . . 26 LEU HD1 . 50166 1 151 . 1 . 1 26 26 LEU C C 13 175.522 0.004 . . . . . . . 26 LEU CO . 50166 1 152 . 1 . 1 26 26 LEU CA C 13 55.040 0.061 . . . . . . . 26 LEU CA . 50166 1 153 . 1 . 1 26 26 LEU CB C 13 41.489 0.174 . . . . . . . 26 LEU CB . 50166 1 154 . 1 . 1 26 26 LEU CG C 13 27.548 0.000 . . . . . . . 26 LEU CG . 50166 1 155 . 1 . 1 26 26 LEU N N 15 122.102 0.048 . . . . . . . 26 LEU N . 50166 1 156 . 1 . 1 27 27 PHE H H 1 8.362 0.007 . . . . . . . 27 PHE H . 50166 1 157 . 1 . 1 27 27 PHE HA H 1 4.557 0.016 . . . . . . . 27 PHE HA . 50166 1 158 . 1 . 1 27 27 PHE HB2 H 1 2.975 0.012 . . . . . . . 27 PHE HB2 . 50166 1 159 . 1 . 1 27 27 PHE HD1 H 1 7.193 0.010 . . . . . . . 27 PHE HD1 . 50166 1 160 . 1 . 1 27 27 PHE C C 13 174.832 0.015 . . . . . . . 27 PHE CO . 50166 1 161 . 1 . 1 27 27 PHE CA C 13 57.023 0.100 . . . . . . . 27 PHE CA . 50166 1 162 . 1 . 1 27 27 PHE CB C 13 37.610 0.092 . . . . . . . 27 PHE CB . 50166 1 163 . 1 . 1 27 27 PHE N N 15 125.455 0.071 . . . . . . . 27 PHE N . 50166 1 164 . 1 . 1 28 28 MET H H 1 7.933 0.005 . . . . . . . 28 MET H . 50166 1 165 . 1 . 1 28 28 MET HA H 1 4.645 0.006 . . . . . . . 28 MET HA . 50166 1 166 . 1 . 1 28 28 MET HB2 H 1 2.082 0.008 . . . . . . . 28 MET HB2 . 50166 1 167 . 1 . 1 28 28 MET C C 13 175.555 0.000 . . . . . . . 28 MET CO . 50166 1 168 . 1 . 1 28 28 MET CA C 13 52.314 0.058 . . . . . . . 28 MET CA . 50166 1 169 . 1 . 1 28 28 MET CB C 13 31.023 0.000 . . . . . . . 28 MET CB . 50166 1 170 . 1 . 1 28 28 MET N N 15 123.633 0.014 . . . . . . . 28 MET N . 50166 1 171 . 1 . 1 29 29 PRO HA H 1 4.331 0.010 . . . . . . . 29 PRO HA . 50166 1 172 . 1 . 1 29 29 PRO HB2 H 1 2.386 0.012 . . . . . . . 29 PRO HB2 . 50166 1 173 . 1 . 1 29 29 PRO HB3 H 1 1.876 0.013 . . . . . . . 29 PRO HB3 . 50166 1 174 . 1 . 1 29 29 PRO HD2 H 1 3.649 0.008 . . . . . . . 29 PRO HD2 . 50166 1 175 . 1 . 1 29 29 PRO C C 13 176.781 0.000 . . . . . . . 29 PRO CO . 50166 1 176 . 1 . 1 29 29 PRO CA C 13 62.481 0.041 . . . . . . . 29 PRO CA . 50166 1 177 . 1 . 1 29 29 PRO CB C 13 31.747 0.083 . . . . . . . 29 PRO CB . 50166 1 178 . 1 . 1 29 29 PRO CG C 13 27.421 0.000 . . . . . . . 29 PRO CG . 50166 1 179 . 1 . 1 30 30 GLU H H 1 8.763 0.006 . . . . . . . 30 GLU H . 50166 1 180 . 1 . 1 30 30 GLU HA H 1 4.070 0.010 . . . . . . . 30 GLU HA . 50166 1 181 . 1 . 1 30 30 GLU HB2 H 1 2.013 0.028 . . . . . . . 30 GLU HB2 . 50166 1 182 . 1 . 1 30 30 GLU HG2 H 1 2.331 0.007 . . . . . . . 30 GLU HG2 . 50166 1 183 . 1 . 1 30 30 GLU C C 13 176.975 0.020 . . . . . . . 30 GLU CO . 50166 1 184 . 1 . 1 30 30 GLU CA C 13 58.337 0.106 . . . . . . . 30 GLU CA . 50166 1 185 . 1 . 1 30 30 GLU CB C 13 29.538 0.154 . . . . . . . 30 GLU CB . 50166 1 186 . 1 . 1 30 30 GLU CG C 13 36.025 0.039 . . . . . . . 30 GLU CG . 50166 1 187 . 1 . 1 30 30 GLU N N 15 124.426 0.119 . . . . . . . 30 GLU N . 50166 1 188 . 1 . 1 31 31 GLY H H 1 8.877 0.007 . . . . . . . 31 GLY H . 50166 1 189 . 1 . 1 31 31 GLY HA2 H 1 4.490 0.015 . . . . . . . 31 GLY HA2 . 50166 1 190 . 1 . 1 31 31 GLY HA3 H 1 3.794 0.008 . . . . . . . 31 GLY HA3 . 50166 1 191 . 1 . 1 31 31 GLY C C 13 174.139 0.017 . . . . . . . 31 GLY CO . 50166 1 192 . 1 . 1 31 31 GLY CA C 13 45.236 0.111 . . . . . . . 31 GLY CA . 50166 1 193 . 1 . 1 31 31 GLY N N 15 112.948 0.084 . . . . . . . 31 GLY N . 50166 1 194 . 1 . 1 32 32 THR H H 1 8.057 0.006 . . . . . . . 32 THR H . 50166 1 195 . 1 . 1 32 32 THR HA H 1 5.347 0.014 . . . . . . . 32 THR HA . 50166 1 196 . 1 . 1 32 32 THR HB H 1 4.057 0.010 . . . . . . . 32 THR HB . 50166 1 197 . 1 . 1 32 32 THR HG21 H 1 1.167 0.006 . . . . . . . 32 THR HG1 . 50166 1 198 . 1 . 1 32 32 THR HG22 H 1 1.167 0.006 . . . . . . . 32 THR HG1 . 50166 1 199 . 1 . 1 32 32 THR HG23 H 1 1.167 0.006 . . . . . . . 32 THR HG1 . 50166 1 200 . 1 . 1 32 32 THR C C 13 174.047 0.029 . . . . . . . 32 THR CO . 50166 1 201 . 1 . 1 32 32 THR CA C 13 60.613 0.098 . . . . . . . 32 THR CA . 50166 1 202 . 1 . 1 32 32 THR CB C 13 71.836 0.061 . . . . . . . 32 THR CB . 50166 1 203 . 1 . 1 32 32 THR CG2 C 13 22.818 0.113 . . . . . . . 32 THR CG . 50166 1 204 . 1 . 1 32 32 THR N N 15 111.008 0.108 . . . . . . . 32 THR N . 50166 1 205 . 1 . 1 33 33 ARG H H 1 8.299 0.008 . . . . . . . 33 ARG H . 50166 1 206 . 1 . 1 33 33 ARG HA H 1 4.705 0.009 . . . . . . . 33 ARG HA . 50166 1 207 . 1 . 1 33 33 ARG HB2 H 1 1.774 0.008 . . . . . . . 33 ARG HB2 . 50166 1 208 . 1 . 1 33 33 ARG HB3 H 1 1.654 0.009 . . . . . . . 33 ARG HB3 . 50166 1 209 . 1 . 1 33 33 ARG HG2 H 1 1.485 0.017 . . . . . . . 33 ARG HG2 . 50166 1 210 . 1 . 1 33 33 ARG HD2 H 1 3.049 0.010 . . . . . . . 33 ARG HD2 . 50166 1 211 . 1 . 1 33 33 ARG C C 13 174.840 0.010 . . . . . . . 33 ARG CO . 50166 1 212 . 1 . 1 33 33 ARG CA C 13 55.411 0.084 . . . . . . . 33 ARG CA . 50166 1 213 . 1 . 1 33 33 ARG CB C 13 34.047 0.104 . . . . . . . 33 ARG CB . 50166 1 214 . 1 . 1 33 33 ARG CG C 13 26.857 0.087 . . . . . . . 33 ARG CG . 50166 1 215 . 1 . 1 33 33 ARG N N 15 115.552 0.089 . . . . . . . 33 ARG N . 50166 1 216 . 1 . 1 34 34 ILE H H 1 9.078 0.005 . . . . . . . 34 ILE H . 50166 1 217 . 1 . 1 34 34 ILE HA H 1 4.167 0.011 . . . . . . . 34 ILE HA . 50166 1 218 . 1 . 1 34 34 ILE HB H 1 1.883 0.008 . . . . . . . 34 ILE HB . 50166 1 219 . 1 . 1 34 34 ILE HG12 H 1 0.952 0.011 . . . . . . . 34 ILE HG12 . 50166 1 220 . 1 . 1 34 34 ILE HD11 H 1 0.778 0.014 . . . . . . . 34 ILE HD1 . 50166 1 221 . 1 . 1 34 34 ILE HD12 H 1 0.778 0.014 . . . . . . . 34 ILE HD1 . 50166 1 222 . 1 . 1 34 34 ILE HD13 H 1 0.778 0.014 . . . . . . . 34 ILE HD1 . 50166 1 223 . 1 . 1 34 34 ILE C C 13 174.549 0.030 . . . . . . . 34 ILE CO . 50166 1 224 . 1 . 1 34 34 ILE CA C 13 62.165 0.207 . . . . . . . 34 ILE CA . 50166 1 225 . 1 . 1 34 34 ILE CB C 13 37.237 0.138 . . . . . . . 34 ILE CB . 50166 1 226 . 1 . 1 34 34 ILE CD1 C 13 18.280 0.067 . . . . . . . 34 ILE CD . 50166 1 227 . 1 . 1 34 34 ILE N N 15 123.954 0.070 . . . . . . . 34 ILE N . 50166 1 228 . 1 . 1 35 35 ALA H H 1 9.060 0.010 . . . . . . . 35 ALA H . 50166 1 229 . 1 . 1 35 35 ALA HA H 1 4.413 0.029 . . . . . . . 35 ALA HA . 50166 1 230 . 1 . 1 35 35 ALA HB1 H 1 1.192 0.009 . . . . . . . 35 ALA HB . 50166 1 231 . 1 . 1 35 35 ALA HB2 H 1 1.192 0.009 . . . . . . . 35 ALA HB . 50166 1 232 . 1 . 1 35 35 ALA HB3 H 1 1.192 0.009 . . . . . . . 35 ALA HB . 50166 1 233 . 1 . 1 35 35 ALA C C 13 176.882 0.010 . . . . . . . 35 ALA CO . 50166 1 234 . 1 . 1 35 35 ALA CA C 13 52.522 0.182 . . . . . . . 35 ALA CA . 50166 1 235 . 1 . 1 35 35 ALA CB C 13 20.437 0.057 . . . . . . . 35 ALA CB . 50166 1 236 . 1 . 1 35 35 ALA N N 15 131.217 0.062 . . . . . . . 35 ALA N . 50166 1 237 . 1 . 1 36 36 ALA H H 1 7.589 0.010 . . . . . . . 36 ALA H . 50166 1 238 . 1 . 1 36 36 ALA HA H 1 4.411 0.008 . . . . . . . 36 ALA HA . 50166 1 239 . 1 . 1 36 36 ALA HB1 H 1 1.252 0.009 . . . . . . . 36 ALA HB . 50166 1 240 . 1 . 1 36 36 ALA HB2 H 1 1.252 0.009 . . . . . . . 36 ALA HB . 50166 1 241 . 1 . 1 36 36 ALA HB3 H 1 1.252 0.009 . . . . . . . 36 ALA HB . 50166 1 242 . 1 . 1 36 36 ALA C C 13 174.301 0.006 . . . . . . . 36 ALA CO . 50166 1 243 . 1 . 1 36 36 ALA CA C 13 52.297 0.082 . . . . . . . 36 ALA CA . 50166 1 244 . 1 . 1 36 36 ALA CB C 13 22.515 0.073 . . . . . . . 36 ALA CB . 50166 1 245 . 1 . 1 36 36 ALA N N 15 114.514 0.066 . . . . . . . 36 ALA N . 50166 1 246 . 1 . 1 37 37 VAL H H 1 8.252 0.007 . . . . . . . 37 VAL H . 50166 1 247 . 1 . 1 37 37 VAL HA H 1 4.712 0.008 . . . . . . . 37 VAL HA . 50166 1 248 . 1 . 1 37 37 VAL HB H 1 1.777 0.005 . . . . . . . 37 VAL HB . 50166 1 249 . 1 . 1 37 37 VAL HG11 H 1 0.743 0.012 . . . . . . . 37 VAL HG1 . 50166 1 250 . 1 . 1 37 37 VAL HG12 H 1 0.743 0.012 . . . . . . . 37 VAL HG1 . 50166 1 251 . 1 . 1 37 37 VAL HG13 H 1 0.743 0.012 . . . . . . . 37 VAL HG1 . 50166 1 252 . 1 . 1 37 37 VAL C C 13 173.637 0.022 . . . . . . . 37 VAL CO . 50166 1 253 . 1 . 1 37 37 VAL CA C 13 61.127 0.056 . . . . . . . 37 VAL CA . 50166 1 254 . 1 . 1 37 37 VAL CB C 13 34.474 0.125 . . . . . . . 37 VAL CB . 50166 1 255 . 1 . 1 37 37 VAL CG1 C 13 21.405 0.109 . . . . . . . 37 VAL CG1 . 50166 1 256 . 1 . 1 37 37 VAL N N 15 120.388 0.055 . . . . . . . 37 VAL N . 50166 1 257 . 1 . 1 38 38 PHE H H 1 9.339 0.009 . . . . . . . 38 PHE H . 50166 1 258 . 1 . 1 38 38 PHE HA H 1 5.409 0.014 . . . . . . . 38 PHE HA . 50166 1 259 . 1 . 1 38 38 PHE HB2 H 1 2.807 0.009 . . . . . . . 38 PHE HB2 . 50166 1 260 . 1 . 1 38 38 PHE HB3 H 1 2.610 0.009 . . . . . . . 38 PHE HB3 . 50166 1 261 . 1 . 1 38 38 PHE HD1 H 1 6.779 0.021 . . . . . . . 38 PHE HD1 . 50166 1 262 . 1 . 1 38 38 PHE HE1 H 1 7.009 0.007 . . . . . . . 38 PHE HE1 . 50166 1 263 . 1 . 1 38 38 PHE C C 13 174.590 0.005 . . . . . . . 38 PHE CO . 50166 1 264 . 1 . 1 38 38 PHE CA C 13 55.971 0.158 . . . . . . . 38 PHE CA . 50166 1 265 . 1 . 1 38 38 PHE CB C 13 41.249 0.217 . . . . . . . 38 PHE CB . 50166 1 266 . 1 . 1 38 38 PHE N N 15 125.444 0.058 . . . . . . . 38 PHE N . 50166 1 267 . 1 . 1 39 39 ARG H H 1 8.860 0.013 . . . . . . . 39 ARG H . 50166 1 268 . 1 . 1 39 39 ARG HA H 1 4.528 0.010 . . . . . . . 39 ARG HA . 50166 1 269 . 1 . 1 39 39 ARG HB2 H 1 1.725 0.013 . . . . . . . 39 ARG HB2 . 50166 1 270 . 1 . 1 39 39 ARG HG2 H 1 1.479 0.018 . . . . . . . 39 ARG HG2 . 50166 1 271 . 1 . 1 39 39 ARG HG3 H 1 1.287 0.016 . . . . . . . 39 ARG HG3 . 50166 1 272 . 1 . 1 39 39 ARG HD2 H 1 3.110 0.008 . . . . . . . 39 ARG HD2 . 50166 1 273 . 1 . 1 39 39 ARG C C 13 175.781 0.010 . . . . . . . 39 ARG CO . 50166 1 274 . 1 . 1 39 39 ARG CA C 13 55.306 0.140 . . . . . . . 39 ARG CA . 50166 1 275 . 1 . 1 39 39 ARG CB C 13 33.186 0.025 . . . . . . . 39 ARG CB . 50166 1 276 . 1 . 1 39 39 ARG CG C 13 33.896 0.021 . . . . . . . 39 ARG CG . 50166 1 277 . 1 . 1 39 39 ARG N N 15 126.759 0.026 . . . . . . . 39 ARG N . 50166 1 278 . 1 . 1 40 40 ASP H H 1 9.567 0.005 . . . . . . . 40 ASP H . 50166 1 279 . 1 . 1 40 40 ASP HA H 1 4.166 0.008 . . . . . . . 40 ASP HA . 50166 1 280 . 1 . 1 40 40 ASP HB2 H 1 2.869 0.010 . . . . . . . 40 ASP HB2 . 50166 1 281 . 1 . 1 40 40 ASP HB3 H 1 2.541 0.011 . . . . . . . 40 ASP HB3 . 50166 1 282 . 1 . 1 40 40 ASP C C 13 175.098 0.005 . . . . . . . 40 ASP CO . 50166 1 283 . 1 . 1 40 40 ASP CA C 13 55.557 0.260 . . . . . . . 40 ASP CA . 50166 1 284 . 1 . 1 40 40 ASP CB C 13 39.304 0.075 . . . . . . . 40 ASP CB . 50166 1 285 . 1 . 1 40 40 ASP N N 15 129.968 0.091 . . . . . . . 40 ASP N . 50166 1 286 . 1 . 1 41 41 ASN H H 1 8.501 0.002 . . . . . . . 41 ASN H . 50166 1 287 . 1 . 1 41 41 ASN HA H 1 4.155 0.013 . . . . . . . 41 ASN HA . 50166 1 288 . 1 . 1 41 41 ASN HB2 H 1 3.039 0.006 . . . . . . . 41 ASN HB2 . 50166 1 289 . 1 . 1 41 41 ASN HB3 H 1 2.864 0.006 . . . . . . . 41 ASN HB3 . 50166 1 290 . 1 . 1 41 41 ASN C C 13 173.664 0.000 . . . . . . . 41 ASN CO . 50166 1 291 . 1 . 1 41 41 ASN CA C 13 54.650 0.098 . . . . . . . 41 ASN CA . 50166 1 292 . 1 . 1 41 41 ASN CB C 13 38.128 0.125 . . . . . . . 41 ASN CB . 50166 1 293 . 1 . 1 41 41 ASN N N 15 109.902 0.080 . . . . . . . 41 ASN N . 50166 1 294 . 1 . 1 42 42 GLN H H 1 7.808 0.012 . . . . . . . 42 GLN H . 50166 1 295 . 1 . 1 42 42 GLN HA H 1 4.709 0.012 . . . . . . . 42 GLN HA . 50166 1 296 . 1 . 1 42 42 GLN HB2 H 1 2.009 0.009 . . . . . . . 42 GLN HB2 . 50166 1 297 . 1 . 1 42 42 GLN HG2 H 1 2.300 0.018 . . . . . . . 42 GLN HG2 . 50166 1 298 . 1 . 1 42 42 GLN C C 13 174.071 0.014 . . . . . . . 42 GLN CO . 50166 1 299 . 1 . 1 42 42 GLN CA C 13 54.377 0.029 . . . . . . . 42 GLN CA . 50166 1 300 . 1 . 1 42 42 GLN CB C 13 32.128 0.052 . . . . . . . 42 GLN CB . 50166 1 301 . 1 . 1 42 42 GLN CG C 13 33.778 0.042 . . . . . . . 42 GLN CG . 50166 1 302 . 1 . 1 42 42 GLN N N 15 117.819 0.045 . . . . . . . 42 GLN N . 50166 1 303 . 1 . 1 43 43 LEU H H 1 8.479 0.005 . . . . . . . 43 LEU H . 50166 1 304 . 1 . 1 43 43 LEU HA H 1 4.181 0.015 . . . . . . . 43 LEU HA . 50166 1 305 . 1 . 1 43 43 LEU HD11 H 1 0.479 0.012 . . . . . . . 43 LEU HD1 . 50166 1 306 . 1 . 1 43 43 LEU HD12 H 1 0.479 0.012 . . . . . . . 43 LEU HD1 . 50166 1 307 . 1 . 1 43 43 LEU HD13 H 1 0.479 0.012 . . . . . . . 43 LEU HD1 . 50166 1 308 . 1 . 1 43 43 LEU C C 13 176.167 0.032 . . . . . . . 43 LEU CO . 50166 1 309 . 1 . 1 43 43 LEU CA C 13 54.904 0.049 . . . . . . . 43 LEU CA . 50166 1 310 . 1 . 1 43 43 LEU CB C 13 42.817 0.086 . . . . . . . 43 LEU CB . 50166 1 311 . 1 . 1 43 43 LEU N N 15 124.415 0.040 . . . . . . . 43 LEU N . 50166 1 312 . 1 . 1 44 44 LEU H H 1 9.107 0.012 . . . . . . . 44 LEU H . 50166 1 313 . 1 . 1 44 44 LEU HA H 1 4.615 0.052 . . . . . . . 44 LEU HA . 50166 1 314 . 1 . 1 44 44 LEU HB2 H 1 1.463 0.006 . . . . . . . 44 LEU HB2 . 50166 1 315 . 1 . 1 44 44 LEU HG H 1 1.388 0.003 . . . . . . . 44 LEU HG . 50166 1 316 . 1 . 1 44 44 LEU HD11 H 1 0.915 0.003 . . . . . . . 44 LEU HD1 . 50166 1 317 . 1 . 1 44 44 LEU HD12 H 1 0.915 0.003 . . . . . . . 44 LEU HD1 . 50166 1 318 . 1 . 1 44 44 LEU HD13 H 1 0.915 0.003 . . . . . . . 44 LEU HD1 . 50166 1 319 . 1 . 1 44 44 LEU HD21 H 1 0.745 0.003 . . . . . . . 44 LEU HD2 . 50166 1 320 . 1 . 1 44 44 LEU HD22 H 1 0.745 0.003 . . . . . . . 44 LEU HD2 . 50166 1 321 . 1 . 1 44 44 LEU HD23 H 1 0.745 0.003 . . . . . . . 44 LEU HD2 . 50166 1 322 . 1 . 1 44 44 LEU C C 13 176.262 0.015 . . . . . . . 44 LEU CO . 50166 1 323 . 1 . 1 44 44 LEU CA C 13 53.613 0.236 . . . . . . . 44 LEU CA . 50166 1 324 . 1 . 1 44 44 LEU CB C 13 43.661 0.000 . . . . . . . 44 LEU CB . 50166 1 325 . 1 . 1 44 44 LEU CG C 13 27.077 0.000 . . . . . . . 44 LEU CG . 50166 1 326 . 1 . 1 44 44 LEU N N 15 128.160 0.080 . . . . . . . 44 LEU N . 50166 1 327 . 1 . 1 45 45 HIS H H 1 8.684 0.006 . . . . . . . 45 HIS H . 50166 1 328 . 1 . 1 45 45 HIS HA H 1 4.202 0.000 . . . . . . . 45 HIS HA . 50166 1 329 . 1 . 1 45 45 HIS HB2 H 1 3.067 0.000 . . . . . . . 45 HIS HB2 . 50166 1 330 . 1 . 1 45 45 HIS HD1 H 1 7.016 0.007 . . . . . . . 45 HIS HD1 . 50166 1 331 . 1 . 1 45 45 HIS CA C 13 54.680 0.066 . . . . . . . 45 HIS CA . 50166 1 332 . 1 . 1 45 45 HIS CB C 13 28.946 0.296 . . . . . . . 45 HIS CB . 50166 1 333 . 1 . 1 45 45 HIS N N 15 122.429 0.085 . . . . . . . 45 HIS N . 50166 1 334 . 1 . 1 46 46 PRO HA H 1 4.362 0.004 . . . . . . . 46 PRO HA . 50166 1 335 . 1 . 1 46 46 PRO HB2 H 1 2.036 0.003 . . . . . . . 46 PRO HB2 . 50166 1 336 . 1 . 1 46 46 PRO HG2 H 1 1.690 0.015 . . . . . . . 46 PRO HG2 . 50166 1 337 . 1 . 1 46 46 PRO C C 13 175.317 0.000 . . . . . . . 46 PRO CO . 50166 1 338 . 1 . 1 46 46 PRO CA C 13 62.552 0.042 . . . . . . . 46 PRO CA . 50166 1 339 . 1 . 1 46 46 PRO CB C 13 30.803 0.111 . . . . . . . 46 PRO CB . 50166 1 340 . 1 . 1 47 47 SER H H 1 8.396 0.018 . . . . . . . 47 SER H . 50166 1 341 . 1 . 1 47 47 SER C C 13 175.632 0.000 . . . . . . . 47 SER CO . 50166 1 342 . 1 . 1 47 47 SER CA C 13 57.568 0.000 . . . . . . . 47 SER CA . 50166 1 343 . 1 . 1 47 47 SER CB C 13 64.834 0.000 . . . . . . . 47 SER CB . 50166 1 344 . 1 . 1 47 47 SER N N 15 117.307 0.080 . . . . . . . 47 SER N . 50166 1 345 . 1 . 1 48 48 GLY HA2 H 1 3.933 0.004 . . . . . . . 48 GLY HA . 50166 1 346 . 1 . 1 48 48 GLY HA3 H 1 3.933 0.004 . . . . . . . 48 GLY HA . 50166 1 347 . 1 . 1 48 48 GLY C C 13 173.964 0.000 . . . . . . . 48 GLY CO . 50166 1 348 . 1 . 1 48 48 GLY CA C 13 47.101 0.041 . . . . . . . 48 GLY CA . 50166 1 349 . 1 . 1 49 49 SER H H 1 7.858 0.011 . . . . . . . 49 SER H . 50166 1 350 . 1 . 1 49 49 SER HA H 1 4.406 0.024 . . . . . . . 49 SER HA . 50166 1 351 . 1 . 1 49 49 SER HB2 H 1 3.904 0.028 . . . . . . . 49 SER HB2 . 50166 1 352 . 1 . 1 49 49 SER HB3 H 1 3.814 0.006 . . . . . . . 49 SER HB3 . 50166 1 353 . 1 . 1 49 49 SER C C 13 174.798 0.002 . . . . . . . 49 SER CO . 50166 1 354 . 1 . 1 49 49 SER CA C 13 57.946 0.205 . . . . . . . 49 SER CA . 50166 1 355 . 1 . 1 49 49 SER CB C 13 64.505 0.235 . . . . . . . 49 SER CB . 50166 1 356 . 1 . 1 49 49 SER N N 15 110.667 0.143 . . . . . . . 49 SER N . 50166 1 357 . 1 . 1 50 50 THR H H 1 7.720 0.008 . . . . . . . 50 THR H . 50166 1 358 . 1 . 1 50 50 THR HA H 1 4.025 0.072 . . . . . . . 50 THR HA . 50166 1 359 . 1 . 1 50 50 THR HB H 1 3.859 0.008 . . . . . . . 50 THR HB . 50166 1 360 . 1 . 1 50 50 THR HG1 H 1 1.099 0.006 . . . . . . . 50 THR HG1 . 50166 1 361 . 1 . 1 50 50 THR HG21 H 1 0.806 0.009 . . . . . . . 50 THR HG2 . 50166 1 362 . 1 . 1 50 50 THR HG22 H 1 0.806 0.009 . . . . . . . 50 THR HG2 . 50166 1 363 . 1 . 1 50 50 THR HG23 H 1 0.806 0.009 . . . . . . . 50 THR HG2 . 50166 1 364 . 1 . 1 50 50 THR C C 13 173.064 0.025 . . . . . . . 50 THR CO . 50166 1 365 . 1 . 1 50 50 THR CA C 13 64.767 0.446 . . . . . . . 50 THR CA . 50166 1 366 . 1 . 1 50 50 THR CB C 13 69.390 0.071 . . . . . . . 50 THR CB . 50166 1 367 . 1 . 1 50 50 THR CG2 C 13 21.203 0.063 . . . . . . . 50 THR CG . 50166 1 368 . 1 . 1 50 50 THR N N 15 121.304 0.126 . . . . . . . 50 THR N . 50166 1 369 . 1 . 1 51 51 GLU H H 1 8.486 0.006 . . . . . . . 51 GLU H . 50166 1 370 . 1 . 1 51 51 GLU HA H 1 4.410 0.015 . . . . . . . 51 GLU HA . 50166 1 371 . 1 . 1 51 51 GLU HB2 H 1 1.810 0.008 . . . . . . . 51 GLU HB2 . 50166 1 372 . 1 . 1 51 51 GLU HB3 H 1 1.599 0.006 . . . . . . . 51 GLU HB3 . 50166 1 373 . 1 . 1 51 51 GLU HG2 H 1 2.125 0.007 . . . . . . . 51 GLU HG2 . 50166 1 374 . 1 . 1 51 51 GLU C C 13 176.289 0.021 . . . . . . . 51 GLU CO . 50166 1 375 . 1 . 1 51 51 GLU CA C 13 55.044 0.142 . . . . . . . 51 GLU CA . 50166 1 376 . 1 . 1 51 51 GLU CB C 13 31.042 0.176 . . . . . . . 51 GLU CB . 50166 1 377 . 1 . 1 51 51 GLU CG C 13 36.265 0.034 . . . . . . . 51 GLU CG . 50166 1 378 . 1 . 1 51 51 GLU N N 15 127.864 0.096 . . . . . . . 51 GLU N . 50166 1 379 . 1 . 1 52 52 LEU H H 1 8.112 0.005 . . . . . . . 52 LEU H . 50166 1 380 . 1 . 1 52 52 LEU HA H 1 4.173 0.011 . . . . . . . 52 LEU HA . 50166 1 381 . 1 . 1 52 52 LEU HB2 H 1 1.484 0.001 . . . . . . . 52 LEU HB2 . 50166 1 382 . 1 . 1 52 52 LEU HG H 1 2.011 0.016 . . . . . . . 52 LEU HG . 50166 1 383 . 1 . 1 52 52 LEU HD11 H 1 1.041 0.014 . . . . . . . 52 LEU HD1 . 50166 1 384 . 1 . 1 52 52 LEU HD12 H 1 1.041 0.014 . . . . . . . 52 LEU HD1 . 50166 1 385 . 1 . 1 52 52 LEU HD13 H 1 1.041 0.014 . . . . . . . 52 LEU HD1 . 50166 1 386 . 1 . 1 52 52 LEU HD21 H 1 0.756 0.018 . . . . . . . 52 LEU HD2 . 50166 1 387 . 1 . 1 52 52 LEU HD22 H 1 0.756 0.018 . . . . . . . 52 LEU HD2 . 50166 1 388 . 1 . 1 52 52 LEU HD23 H 1 0.756 0.018 . . . . . . . 52 LEU HD2 . 50166 1 389 . 1 . 1 52 52 LEU C C 13 177.439 0.004 . . . . . . . 52 LEU CO . 50166 1 390 . 1 . 1 52 52 LEU CA C 13 55.044 0.005 . . . . . . . 52 LEU CA . 50166 1 391 . 1 . 1 52 52 LEU CB C 13 41.626 0.203 . . . . . . . 52 LEU CB . 50166 1 392 . 1 . 1 52 52 LEU N N 15 123.838 0.075 . . . . . . . 52 LEU N . 50166 1 393 . 1 . 1 53 53 CYS H H 1 9.064 0.009 . . . . . . . 53 CYS H . 50166 1 394 . 1 . 1 53 53 CYS HA H 1 4.656 0.008 . . . . . . . 53 CYS HA . 50166 1 395 . 1 . 1 53 53 CYS HB2 H 1 2.847 0.013 . . . . . . . 53 CYS HB2 . 50166 1 396 . 1 . 1 53 53 CYS HB3 H 1 2.718 0.008 . . . . . . . 53 CYS HB3 . 50166 1 397 . 1 . 1 53 53 CYS C C 13 173.380 0.007 . . . . . . . 53 CYS CO . 50166 1 398 . 1 . 1 53 53 CYS CA C 13 57.597 0.118 . . . . . . . 53 CYS CA . 50166 1 399 . 1 . 1 53 53 CYS CB C 13 31.215 0.109 . . . . . . . 53 CYS CB . 50166 1 400 . 1 . 1 53 53 CYS N N 15 121.721 0.056 . . . . . . . 53 CYS N . 50166 1 401 . 1 . 1 54 54 GLU H H 1 8.792 0.006 . . . . . . . 54 GLU H . 50166 1 402 . 1 . 1 54 54 GLU HA H 1 3.595 0.006 . . . . . . . 54 GLU HA . 50166 1 403 . 1 . 1 54 54 GLU HB2 H 1 1.910 0.012 . . . . . . . 54 GLU HB2 . 50166 1 404 . 1 . 1 54 54 GLU HB3 H 1 2.723 0.003 . . . . . . . 54 GLU HB3 . 50166 1 405 . 1 . 1 54 54 GLU HG2 H 1 2.179 0.004 . . . . . . . 54 GLU HG2 . 50166 1 406 . 1 . 1 54 54 GLU C C 13 177.540 0.007 . . . . . . . 54 GLU CO . 50166 1 407 . 1 . 1 54 54 GLU CA C 13 58.345 0.111 . . . . . . . 54 GLU CA . 50166 1 408 . 1 . 1 54 54 GLU CB C 13 29.311 0.276 . . . . . . . 54 GLU CB . 50166 1 409 . 1 . 1 54 54 GLU CG C 13 35.966 0.133 . . . . . . . 54 GLU CG . 50166 1 410 . 1 . 1 54 54 GLU N N 15 123.081 0.037 . . . . . . . 54 GLU N . 50166 1 411 . 1 . 1 55 55 GLY H H 1 8.902 0.006 . . . . . . . 55 GLY H . 50166 1 412 . 1 . 1 55 55 GLY HA2 H 1 4.377 0.010 . . . . . . . 55 GLY HA2 . 50166 1 413 . 1 . 1 55 55 GLY HA3 H 1 3.573 0.008 . . . . . . . 55 GLY HA3 . 50166 1 414 . 1 . 1 55 55 GLY C C 13 174.488 0.000 . . . . . . . 55 GLY CO . 50166 1 415 . 1 . 1 55 55 GLY CA C 13 45.022 0.101 . . . . . . . 55 GLY CA . 50166 1 416 . 1 . 1 55 55 GLY N N 15 115.718 0.052 . . . . . . . 55 GLY N . 50166 1 417 . 1 . 1 56 56 ASP H H 1 7.936 0.007 . . . . . . . 56 ASP H . 50166 1 418 . 1 . 1 56 56 ASP HA H 1 4.711 0.012 . . . . . . . 56 ASP HA . 50166 1 419 . 1 . 1 56 56 ASP HB2 H 1 2.696 0.017 . . . . . . . 56 ASP HB2 . 50166 1 420 . 1 . 1 56 56 ASP HB3 H 1 2.298 0.013 . . . . . . . 56 ASP HB3 . 50166 1 421 . 1 . 1 56 56 ASP C C 13 175.563 0.025 . . . . . . . 56 ASP CO . 50166 1 422 . 1 . 1 56 56 ASP CA C 13 55.891 0.061 . . . . . . . 56 ASP CA . 50166 1 423 . 1 . 1 56 56 ASP CB C 13 41.412 0.083 . . . . . . . 56 ASP CB . 50166 1 424 . 1 . 1 56 56 ASP N N 15 123.187 0.064 . . . . . . . 56 ASP N . 50166 1 425 . 1 . 1 57 57 THR H H 1 8.700 0.008 . . . . . . . 57 THR H . 50166 1 426 . 1 . 1 57 57 THR HA H 1 4.981 0.019 . . . . . . . 57 THR HA . 50166 1 427 . 1 . 1 57 57 THR HB H 1 4.160 0.005 . . . . . . . 57 THR HB . 50166 1 428 . 1 . 1 57 57 THR HG21 H 1 0.922 0.008 . . . . . . . 57 THR HG1 . 50166 1 429 . 1 . 1 57 57 THR HG22 H 1 0.922 0.008 . . . . . . . 57 THR HG1 . 50166 1 430 . 1 . 1 57 57 THR HG23 H 1 0.922 0.008 . . . . . . . 57 THR HG1 . 50166 1 431 . 1 . 1 57 57 THR C C 13 173.608 0.002 . . . . . . . 57 THR CO . 50166 1 432 . 1 . 1 57 57 THR CA C 13 61.966 0.127 . . . . . . . 57 THR CA . 50166 1 433 . 1 . 1 57 57 THR CB C 13 70.022 0.101 . . . . . . . 57 THR CB . 50166 1 434 . 1 . 1 57 57 THR CG2 C 13 22.224 0.092 . . . . . . . 57 THR CG . 50166 1 435 . 1 . 1 57 57 THR N N 15 116.441 0.071 . . . . . . . 57 THR N . 50166 1 436 . 1 . 1 58 58 LEU H H 1 9.448 0.008 . . . . . . . 58 LEU H . 50166 1 437 . 1 . 1 58 58 LEU HA H 1 4.399 0.258 . . . . . . . 58 LEU HA . 50166 1 438 . 1 . 1 58 58 LEU HB2 H 1 1.961 0.012 . . . . . . . 58 LEU HB2 . 50166 1 439 . 1 . 1 58 58 LEU HG H 1 1.572 0.004 . . . . . . . 58 LEU HG . 50166 1 440 . 1 . 1 58 58 LEU HD11 H 1 0.763 0.005 . . . . . . . 58 LEU HD1 . 50166 1 441 . 1 . 1 58 58 LEU HD12 H 1 0.763 0.005 . . . . . . . 58 LEU HD1 . 50166 1 442 . 1 . 1 58 58 LEU HD13 H 1 0.763 0.005 . . . . . . . 58 LEU HD1 . 50166 1 443 . 1 . 1 58 58 LEU C C 13 175.288 0.003 . . . . . . . 58 LEU CO . 50166 1 444 . 1 . 1 58 58 LEU CA C 13 54.143 0.143 . . . . . . . 58 LEU CA . 50166 1 445 . 1 . 1 58 58 LEU CB C 13 44.254 0.000 . . . . . . . 58 LEU CB . 50166 1 446 . 1 . 1 58 58 LEU CG C 13 25.177 0.000 . . . . . . . 58 LEU CG . 50166 1 447 . 1 . 1 58 58 LEU N N 15 127.260 0.067 . . . . . . . 58 LEU N . 50166 1 448 . 1 . 1 59 59 CYS H H 1 8.358 0.004 . . . . . . . 59 CYS H . 50166 1 449 . 1 . 1 59 59 CYS HA H 1 4.911 0.007 . . . . . . . 59 CYS HA . 50166 1 450 . 1 . 1 59 59 CYS HB2 H 1 2.849 0.018 . . . . . . . 59 CYS HB2 . 50166 1 451 . 1 . 1 59 59 CYS HB3 H 1 2.292 0.008 . . . . . . . 59 CYS HB3 . 50166 1 452 . 1 . 1 59 59 CYS C C 13 173.639 0.013 . . . . . . . 59 CYS CO . 50166 1 453 . 1 . 1 59 59 CYS CA C 13 57.094 0.066 . . . . . . . 59 CYS CA . 50166 1 454 . 1 . 1 59 59 CYS CB C 13 27.683 0.075 . . . . . . . 59 CYS CB . 50166 1 455 . 1 . 1 59 59 CYS N N 15 121.089 0.057 . . . . . . . 59 CYS N . 50166 1 456 . 1 . 1 60 60 VAL H H 1 9.764 0.009 . . . . . . . 60 VAL H . 50166 1 457 . 1 . 1 60 60 VAL HA H 1 4.676 0.009 . . . . . . . 60 VAL HA . 50166 1 458 . 1 . 1 60 60 VAL HB H 1 2.307 0.012 . . . . . . . 60 VAL HB . 50166 1 459 . 1 . 1 60 60 VAL HG11 H 1 0.945 0.010 . . . . . . . 60 VAL HG1 . 50166 1 460 . 1 . 1 60 60 VAL HG12 H 1 0.945 0.010 . . . . . . . 60 VAL HG1 . 50166 1 461 . 1 . 1 60 60 VAL HG13 H 1 0.945 0.010 . . . . . . . 60 VAL HG1 . 50166 1 462 . 1 . 1 60 60 VAL C C 13 174.489 0.009 . . . . . . . 60 VAL CO . 50166 1 463 . 1 . 1 60 60 VAL CA C 13 61.430 0.086 . . . . . . . 60 VAL CA . 50166 1 464 . 1 . 1 60 60 VAL CB C 13 34.802 0.259 . . . . . . . 60 VAL CB . 50166 1 465 . 1 . 1 60 60 VAL CG1 C 13 21.776 0.000 . . . . . . . 60 VAL CG1 . 50166 1 466 . 1 . 1 60 60 VAL N N 15 128.029 0.075 . . . . . . . 60 VAL N . 50166 1 467 . 1 . 1 61 61 MET H H 1 9.110 0.006 . . . . . . . 61 MET H . 50166 1 468 . 1 . 1 61 61 MET HA H 1 5.318 0.010 . . . . . . . 61 MET HA . 50166 1 469 . 1 . 1 61 61 MET HB2 H 1 2.253 0.012 . . . . . . . 61 MET HB2 . 50166 1 470 . 1 . 1 61 61 MET HG2 H 1 2.525 0.012 . . . . . . . 61 MET HG2 . 50166 1 471 . 1 . 1 61 61 MET C C 13 174.856 0.017 . . . . . . . 61 MET CO . 50166 1 472 . 1 . 1 61 61 MET CA C 13 54.532 0.057 . . . . . . . 61 MET CA . 50166 1 473 . 1 . 1 61 61 MET CB C 13 34.403 0.234 . . . . . . . 61 MET CB . 50166 1 474 . 1 . 1 61 61 MET N N 15 127.076 0.059 . . . . . . . 61 MET N . 50166 1 475 . 1 . 1 62 62 ALA H H 1 9.055 0.014 . . . . . . . 62 ALA H . 50166 1 476 . 1 . 1 62 62 ALA HA H 1 4.971 0.014 . . . . . . . 62 ALA HA . 50166 1 477 . 1 . 1 62 62 ALA HB1 H 1 1.559 0.009 . . . . . . . 62 ALA HB . 50166 1 478 . 1 . 1 62 62 ALA HB2 H 1 1.559 0.009 . . . . . . . 62 ALA HB . 50166 1 479 . 1 . 1 62 62 ALA HB3 H 1 1.559 0.009 . . . . . . . 62 ALA HB . 50166 1 480 . 1 . 1 62 62 ALA C C 13 174.460 0.018 . . . . . . . 62 ALA CO . 50166 1 481 . 1 . 1 62 62 ALA CA C 13 51.666 0.046 . . . . . . . 62 ALA CA . 50166 1 482 . 1 . 1 62 62 ALA CB C 13 23.247 0.160 . . . . . . . 62 ALA CB . 50166 1 483 . 1 . 1 62 62 ALA N N 15 126.488 0.159 . . . . . . . 62 ALA N . 50166 1 484 . 1 . 1 63 63 GLN H H 1 9.264 0.007 . . . . . . . 63 GLN H . 50166 1 485 . 1 . 1 63 63 GLN HA H 1 4.897 0.011 . . . . . . . 63 GLN HA . 50166 1 486 . 1 . 1 63 63 GLN HB2 H 1 2.096 0.018 . . . . . . . 63 GLN HB2 . 50166 1 487 . 1 . 1 63 63 GLN HB3 H 1 1.657 0.010 . . . . . . . 63 GLN HB3 . 50166 1 488 . 1 . 1 63 63 GLN HG2 H 1 2.108 0.010 . . . . . . . 63 GLN HG2 . 50166 1 489 . 1 . 1 63 63 GLN C C 13 177.643 0.012 . . . . . . . 63 GLN CO . 50166 1 490 . 1 . 1 63 63 GLN CA C 13 54.357 0.163 . . . . . . . 63 GLN CA . 50166 1 491 . 1 . 1 63 63 GLN CB C 13 31.460 0.179 . . . . . . . 63 GLN CB . 50166 1 492 . 1 . 1 63 63 GLN CG C 13 34.000 0.000 . . . . . . . 63 GLN CG . 50166 1 493 . 1 . 1 63 63 GLN N N 15 118.207 0.100 . . . . . . . 63 GLN N . 50166 1 494 . 1 . 1 64 64 GLU H H 1 9.237 0.016 . . . . . . . 64 GLU H . 50166 1 495 . 1 . 1 64 64 GLU HA H 1 3.904 0.011 . . . . . . . 64 GLU HA . 50166 1 496 . 1 . 1 64 64 GLU HB2 H 1 2.177 0.013 . . . . . . . 64 GLU HB2 . 50166 1 497 . 1 . 1 64 64 GLU HB3 H 1 2.054 0.012 . . . . . . . 64 GLU HB3 . 50166 1 498 . 1 . 1 64 64 GLU HG2 H 1 2.358 0.010 . . . . . . . 64 GLU HG2 . 50166 1 499 . 1 . 1 64 64 GLU C C 13 179.362 0.007 . . . . . . . 64 GLU CO . 50166 1 500 . 1 . 1 64 64 GLU CA C 13 60.339 0.101 . . . . . . . 64 GLU CA . 50166 1 501 . 1 . 1 64 64 GLU CB C 13 29.043 0.104 . . . . . . . 64 GLU CB . 50166 1 502 . 1 . 1 64 64 GLU CG C 13 36.192 0.000 . . . . . . . 64 GLU CG . 50166 1 503 . 1 . 1 64 64 GLU N N 15 123.378 0.096 . . . . . . . 64 GLU N . 50166 1 504 . 1 . 1 65 65 ARG H H 1 8.266 0.007 . . . . . . . 65 ARG H . 50166 1 505 . 1 . 1 65 65 ARG HA H 1 4.211 0.013 . . . . . . . 65 ARG HA . 50166 1 506 . 1 . 1 65 65 ARG HB2 H 1 1.886 0.005 . . . . . . . 65 ARG HB2 . 50166 1 507 . 1 . 1 65 65 ARG HB3 H 1 1.782 0.012 . . . . . . . 65 ARG HB3 . 50166 1 508 . 1 . 1 65 65 ARG HG2 H 1 1.429 0.008 . . . . . . . 65 ARG HG2 . 50166 1 509 . 1 . 1 65 65 ARG HD2 H 1 3.075 0.009 . . . . . . . 65 ARG HD2 . 50166 1 510 . 1 . 1 65 65 ARG C C 13 176.696 0.008 . . . . . . . 65 ARG CO . 50166 1 511 . 1 . 1 65 65 ARG CA C 13 57.511 0.105 . . . . . . . 65 ARG CA . 50166 1 512 . 1 . 1 65 65 ARG CB C 13 28.888 0.064 . . . . . . . 65 ARG CB . 50166 1 513 . 1 . 1 65 65 ARG CG C 13 25.817 0.095 . . . . . . . 65 ARG CG . 50166 1 514 . 1 . 1 65 65 ARG CD C 13 43.405 0.000 . . . . . . . 65 ARG CD . 50166 1 515 . 1 . 1 65 65 ARG N N 15 114.969 0.065 . . . . . . . 65 ARG N . 50166 1 516 . 1 . 1 66 66 ASP H H 1 8.038 0.007 . . . . . . . 66 ASP H . 50166 1 517 . 1 . 1 66 66 ASP HA H 1 4.824 0.010 . . . . . . . 66 ASP HA . 50166 1 518 . 1 . 1 66 66 ASP HB2 H 1 2.715 0.013 . . . . . . . 66 ASP HB2 . 50166 1 519 . 1 . 1 66 66 ASP C C 13 176.606 0.008 . . . . . . . 66 ASP CO . 50166 1 520 . 1 . 1 66 66 ASP CA C 13 55.469 0.106 . . . . . . . 66 ASP CA . 50166 1 521 . 1 . 1 66 66 ASP CB C 13 42.474 0.267 . . . . . . . 66 ASP CB . 50166 1 522 . 1 . 1 66 66 ASP N N 15 119.209 0.099 . . . . . . . 66 ASP N . 50166 1 523 . 1 . 1 67 67 LEU H H 1 7.647 0.009 . . . . . . . 67 LEU H . 50166 1 524 . 1 . 1 67 67 LEU HA H 1 3.748 0.007 . . . . . . . 67 LEU HA . 50166 1 525 . 1 . 1 67 67 LEU HB2 H 1 1.707 0.013 . . . . . . . 67 LEU HB2 . 50166 1 526 . 1 . 1 67 67 LEU HB3 H 1 1.467 0.010 . . . . . . . 67 LEU HB3 . 50166 1 527 . 1 . 1 67 67 LEU HG H 1 1.599 0.010 . . . . . . . 67 LEU HG . 50166 1 528 . 1 . 1 67 67 LEU HD11 H 1 0.627 0.005 . . . . . . . 67 LEU HD1 . 50166 1 529 . 1 . 1 67 67 LEU HD12 H 1 0.627 0.005 . . . . . . . 67 LEU HD1 . 50166 1 530 . 1 . 1 67 67 LEU HD13 H 1 0.627 0.005 . . . . . . . 67 LEU HD1 . 50166 1 531 . 1 . 1 67 67 LEU HD21 H 1 0.237 0.011 . . . . . . . 67 LEU HD2 . 50166 1 532 . 1 . 1 67 67 LEU HD22 H 1 0.237 0.011 . . . . . . . 67 LEU HD2 . 50166 1 533 . 1 . 1 67 67 LEU HD23 H 1 0.237 0.011 . . . . . . . 67 LEU HD2 . 50166 1 534 . 1 . 1 67 67 LEU C C 13 179.368 0.015 . . . . . . . 67 LEU CO . 50166 1 535 . 1 . 1 67 67 LEU CA C 13 58.945 0.028 . . . . . . . 67 LEU CA . 50166 1 536 . 1 . 1 67 67 LEU CB C 13 41.278 0.078 . . . . . . . 67 LEU CB . 50166 1 537 . 1 . 1 67 67 LEU CG C 13 24.629 0.000 . . . . . . . 67 LEU CG . 50166 1 538 . 1 . 1 67 67 LEU CD1 C 13 22.728 0.026 . . . . . . . 67 LEU CD . 50166 1 539 . 1 . 1 67 67 LEU CD2 C 13 22.728 0.026 . . . . . . . 67 LEU CD . 50166 1 540 . 1 . 1 67 67 LEU N N 15 120.724 0.068 . . . . . . . 67 LEU N . 50166 1 541 . 1 . 1 68 68 GLU H H 1 8.418 0.005 . . . . . . . 68 GLU H . 50166 1 542 . 1 . 1 68 68 GLU HA H 1 4.008 0.007 . . . . . . . 68 GLU HA . 50166 1 543 . 1 . 1 68 68 GLU HB2 H 1 2.045 0.014 . . . . . . . 68 GLU HB2 . 50166 1 544 . 1 . 1 68 68 GLU HG2 H 1 2.234 0.005 . . . . . . . 68 GLU HG2 . 50166 1 545 . 1 . 1 68 68 GLU C C 13 179.362 0.007 . . . . . . . 68 GLU CO . 50166 1 546 . 1 . 1 68 68 GLU CA C 13 60.261 0.079 . . . . . . . 68 GLU CA . 50166 1 547 . 1 . 1 68 68 GLU CB C 13 28.691 0.073 . . . . . . . 68 GLU CB . 50166 1 548 . 1 . 1 68 68 GLU CG C 13 36.289 0.000 . . . . . . . 68 GLU CG . 50166 1 549 . 1 . 1 68 68 GLU N N 15 120.470 0.057 . . . . . . . 68 GLU N . 50166 1 550 . 1 . 1 69 69 SER H H 1 8.266 0.005 . . . . . . . 69 SER H . 50166 1 551 . 1 . 1 69 69 SER HA H 1 4.169 0.020 . . . . . . . 69 SER HA . 50166 1 552 . 1 . 1 69 69 SER HB2 H 1 3.903 0.014 . . . . . . . 69 SER HB2 . 50166 1 553 . 1 . 1 69 69 SER HB3 H 1 3.846 0.008 . . . . . . . 69 SER HB3 . 50166 1 554 . 1 . 1 69 69 SER C C 13 177.736 0.000 . . . . . . . 69 SER CO . 50166 1 555 . 1 . 1 69 69 SER CA C 13 61.807 0.076 . . . . . . . 69 SER CA . 50166 1 556 . 1 . 1 69 69 SER CB C 13 62.505 0.232 . . . . . . . 69 SER CB . 50166 1 557 . 1 . 1 69 69 SER N N 15 116.682 0.063 . . . . . . . 69 SER N . 50166 1 558 . 1 . 1 70 70 LEU H H 1 8.188 0.004 . . . . . . . 70 LEU H . 50166 1 559 . 1 . 1 70 70 LEU HA H 1 4.006 0.015 . . . . . . . 70 LEU HA . 50166 1 560 . 1 . 1 70 70 LEU HB2 H 1 1.917 0.021 . . . . . . . 70 LEU HB2 . 50166 1 561 . 1 . 1 70 70 LEU HB3 H 1 1.631 0.013 . . . . . . . 70 LEU HB3 . 50166 1 562 . 1 . 1 70 70 LEU HD11 H 1 0.765 0.011 . . . . . . . 70 LEU HD1 . 50166 1 563 . 1 . 1 70 70 LEU HD12 H 1 0.765 0.011 . . . . . . . 70 LEU HD1 . 50166 1 564 . 1 . 1 70 70 LEU HD13 H 1 0.765 0.011 . . . . . . . 70 LEU HD1 . 50166 1 565 . 1 . 1 70 70 LEU C C 13 178.536 0.022 . . . . . . . 70 LEU CO . 50166 1 566 . 1 . 1 70 70 LEU CA C 13 58.048 0.035 . . . . . . . 70 LEU CA . 50166 1 567 . 1 . 1 70 70 LEU CB C 13 41.722 0.064 . . . . . . . 70 LEU CB . 50166 1 568 . 1 . 1 70 70 LEU CG C 13 24.183 0.000 . . . . . . . 70 LEU CG . 50166 1 569 . 1 . 1 70 70 LEU N N 15 123.069 0.048 . . . . . . . 70 LEU N . 50166 1 570 . 1 . 1 71 71 SER H H 1 8.419 0.006 . . . . . . . 71 SER H . 50166 1 571 . 1 . 1 71 71 SER HA H 1 4.567 0.013 . . . . . . . 71 SER HA . 50166 1 572 . 1 . 1 71 71 SER HB2 H 1 4.001 0.006 . . . . . . . 71 SER HB2 . 50166 1 573 . 1 . 1 71 71 SER C C 13 175.986 0.024 . . . . . . . 71 SER CO . 50166 1 574 . 1 . 1 71 71 SER CA C 13 60.977 0.106 . . . . . . . 71 SER CA . 50166 1 575 . 1 . 1 71 71 SER CB C 13 62.720 0.118 . . . . . . . 71 SER CB . 50166 1 576 . 1 . 1 71 71 SER N N 15 115.781 0.035 . . . . . . . 71 SER N . 50166 1 577 . 1 . 1 72 72 ARG H H 1 7.384 0.008 . . . . . . . 72 ARG H . 50166 1 578 . 1 . 1 72 72 ARG HA H 1 4.109 0.014 . . . . . . . 72 ARG HA . 50166 1 579 . 1 . 1 72 72 ARG HB2 H 1 1.788 0.009 . . . . . . . 72 ARG HB2 . 50166 1 580 . 1 . 1 72 72 ARG HD2 H 1 3.165 0.001 . . . . . . . 72 ARG HD2 . 50166 1 581 . 1 . 1 72 72 ARG C C 13 177.298 0.022 . . . . . . . 72 ARG CO . 50166 1 582 . 1 . 1 72 72 ARG CA C 13 57.995 0.146 . . . . . . . 72 ARG CA . 50166 1 583 . 1 . 1 72 72 ARG CB C 13 30.082 0.056 . . . . . . . 72 ARG CB . 50166 1 584 . 1 . 1 72 72 ARG N N 15 119.416 0.016 . . . . . . . 72 ARG N . 50166 1 585 . 1 . 1 73 73 LEU H H 1 7.296 0.007 . . . . . . . 73 LEU H . 50166 1 586 . 1 . 1 73 73 LEU HA H 1 3.946 0.003 . . . . . . . 73 LEU HA . 50166 1 587 . 1 . 1 73 73 LEU C C 13 177.014 0.036 . . . . . . . 73 LEU CO . 50166 1 588 . 1 . 1 73 73 LEU CA C 13 56.797 0.118 . . . . . . . 73 LEU CA . 50166 1 589 . 1 . 1 73 73 LEU CB C 13 42.833 0.000 . . . . . . . 73 LEU CB . 50166 1 590 . 1 . 1 73 73 LEU N N 15 119.797 0.041 . . . . . . . 73 LEU N . 50166 1 591 . 1 . 1 74 74 PHE H H 1 7.741 0.010 . . . . . . . 74 PHE H . 50166 1 592 . 1 . 1 74 74 PHE HB2 H 1 3.051 0.003 . . . . . . . 74 PHE HB2 . 50166 1 593 . 1 . 1 74 74 PHE HB3 H 1 2.545 0.038 . . . . . . . 74 PHE HB3 . 50166 1 594 . 1 . 1 74 74 PHE HD1 H 1 6.773 0.022 . . . . . . . 74 PHE HD1 . 50166 1 595 . 1 . 1 74 74 PHE C C 13 170.299 0.000 . . . . . . . 74 PHE CO . 50166 1 596 . 1 . 1 74 74 PHE CA C 13 57.868 0.000 . . . . . . . 74 PHE CA . 50166 1 597 . 1 . 1 74 74 PHE N N 15 115.062 0.103 . . . . . . . 74 PHE N . 50166 1 598 . 1 . 1 79 79 GLU HA H 1 4.214 0.005 . . . . . . . 79 GLU HA . 50166 1 599 . 1 . 1 79 79 GLU HB2 H 1 1.928 0.006 . . . . . . . 79 GLU HB2 . 50166 1 600 . 1 . 1 79 79 GLU HG2 H 1 2.198 0.000 . . . . . . . 79 GLU HG2 . 50166 1 601 . 1 . 1 79 79 GLU C C 13 176.464 0.015 . . . . . . . 79 GLU CO . 50166 1 602 . 1 . 1 79 79 GLU CA C 13 56.647 0.062 . . . . . . . 79 GLU CA . 50166 1 603 . 1 . 1 79 79 GLU CB C 13 29.450 0.051 . . . . . . . 79 GLU CB . 50166 1 604 . 1 . 1 79 79 GLU CG C 13 36.186 0.009 . . . . . . . 79 GLU CG . 50166 1 605 . 1 . 1 80 80 LYS H H 1 8.233 0.003 . . . . . . . 80 LYS H . 50166 1 606 . 1 . 1 80 80 LYS C C 13 177.496 0.000 . . . . . . . 80 LYS CO . 50166 1 607 . 1 . 1 80 80 LYS N N 15 126.071 0.055 . . . . . . . 80 LYS N . 50166 1 608 . 1 . 1 81 81 ALA HA H 1 4.183 0.000 . . . . . . . 81 ALA HA . 50166 1 609 . 1 . 1 81 81 ALA HB1 H 1 1.152 0.002 . . . . . . . 81 ALA HB . 50166 1 610 . 1 . 1 81 81 ALA HB2 H 1 1.152 0.002 . . . . . . . 81 ALA HB . 50166 1 611 . 1 . 1 81 81 ALA HB3 H 1 1.152 0.002 . . . . . . . 81 ALA HB . 50166 1 612 . 1 . 1 81 81 ALA C C 13 175.727 0.000 . . . . . . . 81 ALA CO . 50166 1 613 . 1 . 1 81 81 ALA CA C 13 50.945 0.000 . . . . . . . 81 ALA CA . 50166 1 614 . 1 . 1 81 81 ALA CB C 13 21.149 0.000 . . . . . . . 81 ALA CB . 50166 1 615 . 1 . 1 82 82 SER H H 1 8.117 0.004 . . . . . . . 82 SER H . 50166 1 616 . 1 . 1 82 82 SER HA H 1 4.522 0.002 . . . . . . . 82 SER HA . 50166 1 617 . 1 . 1 82 82 SER HB2 H 1 3.825 0.001 . . . . . . . 82 SER HB2 . 50166 1 618 . 1 . 1 82 82 SER CA C 13 57.294 0.000 . . . . . . . 82 SER CA . 50166 1 619 . 1 . 1 82 82 SER CB C 13 63.624 0.000 . . . . . . . 82 SER CB . 50166 1 620 . 1 . 1 82 82 SER N N 15 113.755 0.055 . . . . . . . 82 SER N . 50166 1 621 . 1 . 1 83 83 LEU HA H 1 3.966 0.006 . . . . . . . 83 LEU HA . 50166 1 622 . 1 . 1 83 83 LEU HB2 H 1 1.376 0.006 . . . . . . . 83 LEU HB2 . 50166 1 623 . 1 . 1 83 83 LEU HG H 1 1.527 0.001 . . . . . . . 83 LEU HG . 50166 1 624 . 1 . 1 83 83 LEU HD11 H 1 0.666 0.000 . . . . . . . 83 LEU HD1 . 50166 1 625 . 1 . 1 83 83 LEU HD12 H 1 0.666 0.000 . . . . . . . 83 LEU HD1 . 50166 1 626 . 1 . 1 83 83 LEU HD13 H 1 0.666 0.000 . . . . . . . 83 LEU HD1 . 50166 1 627 . 1 . 1 83 83 LEU C C 13 177.713 0.000 . . . . . . . 83 LEU CO . 50166 1 628 . 1 . 1 83 83 LEU CA C 13 57.268 0.094 . . . . . . . 83 LEU CA . 50166 1 629 . 1 . 1 83 83 LEU CB C 13 42.205 0.129 . . . . . . . 83 LEU CB . 50166 1 630 . 1 . 1 84 84 ALA H H 1 8.074 0.007 . . . . . . . 84 ALA H . 50166 1 631 . 1 . 1 84 84 ALA HA H 1 4.633 0.009 . . . . . . . 84 ALA HA . 50166 1 632 . 1 . 1 84 84 ALA HB1 H 1 1.254 0.003 . . . . . . . 84 ALA HB . 50166 1 633 . 1 . 1 84 84 ALA HB2 H 1 1.254 0.003 . . . . . . . 84 ALA HB . 50166 1 634 . 1 . 1 84 84 ALA HB3 H 1 1.254 0.003 . . . . . . . 84 ALA HB . 50166 1 635 . 1 . 1 84 84 ALA C C 13 179.311 0.000 . . . . . . . 84 ALA CO . 50166 1 636 . 1 . 1 84 84 ALA CA C 13 54.667 0.000 . . . . . . . 84 ALA CA . 50166 1 637 . 1 . 1 84 84 ALA CB C 13 19.166 0.000 . . . . . . . 84 ALA CB . 50166 1 638 . 1 . 1 84 84 ALA N N 15 120.179 0.081 . . . . . . . 84 ALA N . 50166 1 639 . 1 . 1 85 85 ARG H H 1 7.621 0.007 . . . . . . . 85 ARG H . 50166 1 640 . 1 . 1 85 85 ARG HA H 1 4.070 0.000 . . . . . . . 85 ARG HA . 50166 1 641 . 1 . 1 85 85 ARG HG2 H 1 1.634 0.000 . . . . . . . 85 ARG HG2 . 50166 1 642 . 1 . 1 85 85 ARG HD2 H 1 3.005 0.000 . . . . . . . 85 ARG HD2 . 50166 1 643 . 1 . 1 85 85 ARG N N 15 115.407 0.023 . . . . . . . 85 ARG N . 50166 1 644 . 1 . 1 86 86 PHE H H 1 7.535 0.012 . . . . . . . 86 PHE H . 50166 1 645 . 1 . 1 86 86 PHE HA H 1 4.092 0.000 . . . . . . . 86 PHE HA . 50166 1 646 . 1 . 1 86 86 PHE N N 15 118.498 0.037 . . . . . . . 86 PHE N . 50166 1 647 . 1 . 1 87 87 PHE H H 1 7.968 0.003 . . . . . . . 87 PHE H . 50166 1 648 . 1 . 1 87 87 PHE N N 15 115.336 0.059 . . . . . . . 87 PHE N . 50166 1 649 . 1 . 1 89 89 ASP H H 1 7.926 0.007 . . . . . . . 89 ASP H . 50166 1 650 . 1 . 1 89 89 ASP HA H 1 4.369 0.004 . . . . . . . 89 ASP HA . 50166 1 651 . 1 . 1 89 89 ASP HB3 H 1 2.187 0.026 . . . . . . . 89 ASP HB3 . 50166 1 652 . 1 . 1 89 89 ASP N N 15 116.899 0.017 . . . . . . . 89 ASP N . 50166 1 653 . 1 . 1 90 90 PHE H H 1 7.083 0.007 . . . . . . . 90 PHE H . 50166 1 654 . 1 . 1 90 90 PHE HA H 1 4.533 0.000 . . . . . . . 90 PHE HA . 50166 1 655 . 1 . 1 90 90 PHE C C 13 173.451 0.000 . . . . . . . 90 PHE CO . 50166 1 656 . 1 . 1 90 90 PHE N N 15 115.955 0.041 . . . . . . . 90 PHE N . 50166 1 657 . 1 . 1 91 91 PHE H H 1 8.434 0.003 . . . . . . . 91 PHE H . 50166 1 658 . 1 . 1 91 91 PHE HA H 1 5.221 0.009 . . . . . . . 91 PHE HA . 50166 1 659 . 1 . 1 91 91 PHE HB2 H 1 2.751 0.022 . . . . . . . 91 PHE HB2 . 50166 1 660 . 1 . 1 91 91 PHE HD1 H 1 6.920 0.009 . . . . . . . 91 PHE HD1 . 50166 1 661 . 1 . 1 91 91 PHE C C 13 174.808 0.002 . . . . . . . 91 PHE CO . 50166 1 662 . 1 . 1 91 91 PHE CA C 13 56.651 0.128 . . . . . . . 91 PHE CA . 50166 1 663 . 1 . 1 91 91 PHE CB C 13 41.668 0.110 . . . . . . . 91 PHE CB . 50166 1 664 . 1 . 1 91 91 PHE N N 15 119.223 0.008 . . . . . . . 91 PHE N . 50166 1 665 . 1 . 1 92 92 LEU H H 1 9.694 0.006 . . . . . . . 92 LEU H . 50166 1 666 . 1 . 1 92 92 LEU HA H 1 4.635 0.014 . . . . . . . 92 LEU HA . 50166 1 667 . 1 . 1 92 92 LEU HB2 H 1 1.666 0.006 . . . . . . . 92 LEU HB2 . 50166 1 668 . 1 . 1 92 92 LEU HB3 H 1 1.385 0.024 . . . . . . . 92 LEU HB3 . 50166 1 669 . 1 . 1 92 92 LEU HD11 H 1 0.918 0.009 . . . . . . . 92 LEU HD1 . 50166 1 670 . 1 . 1 92 92 LEU HD12 H 1 0.918 0.009 . . . . . . . 92 LEU HD1 . 50166 1 671 . 1 . 1 92 92 LEU HD13 H 1 0.918 0.009 . . . . . . . 92 LEU HD1 . 50166 1 672 . 1 . 1 92 92 LEU HD21 H 1 0.754 0.000 . . . . . . . 92 LEU HD2 . 50166 1 673 . 1 . 1 92 92 LEU HD22 H 1 0.754 0.000 . . . . . . . 92 LEU HD2 . 50166 1 674 . 1 . 1 92 92 LEU HD23 H 1 0.754 0.000 . . . . . . . 92 LEU HD2 . 50166 1 675 . 1 . 1 92 92 LEU C C 13 176.111 0.000 . . . . . . . 92 LEU CO . 50166 1 676 . 1 . 1 92 92 LEU CA C 13 53.064 0.115 . . . . . . . 92 LEU CA . 50166 1 677 . 1 . 1 92 92 LEU CB C 13 44.616 0.070 . . . . . . . 92 LEU CB . 50166 1 678 . 1 . 1 92 92 LEU N N 15 123.394 0.023 . . . . . . . 92 LEU N . 50166 1 679 . 1 . 1 93 93 ASP H H 1 8.710 0.003 . . . . . . . 93 ASP H . 50166 1 680 . 1 . 1 93 93 ASP HA H 1 4.665 0.004 . . . . . . . 93 ASP HA . 50166 1 681 . 1 . 1 93 93 ASP HB2 H 1 2.706 0.012 . . . . . . . 93 ASP HB2 . 50166 1 682 . 1 . 1 93 93 ASP C C 13 177.203 0.015 . . . . . . . 93 ASP CO . 50166 1 683 . 1 . 1 93 93 ASP CA C 13 54.507 0.103 . . . . . . . 93 ASP CA . 50166 1 684 . 1 . 1 93 93 ASP CB C 13 43.159 0.053 . . . . . . . 93 ASP CB . 50166 1 685 . 1 . 1 93 93 ASP N N 15 122.779 0.021 . . . . . . . 93 ASP N . 50166 1 686 . 1 . 1 94 94 ILE H H 1 7.225 0.008 . . . . . . . 94 ILE H . 50166 1 687 . 1 . 1 94 94 ILE HA H 1 4.036 0.005 . . . . . . . 94 ILE HA . 50166 1 688 . 1 . 1 94 94 ILE HB H 1 1.367 0.011 . . . . . . . 94 ILE HB . 50166 1 689 . 1 . 1 94 94 ILE HG12 H 1 1.536 0.012 . . . . . . . 94 ILE HG12 . 50166 1 690 . 1 . 1 94 94 ILE HG21 H 1 1.102 0.011 . . . . . . . 94 ILE HG2 . 50166 1 691 . 1 . 1 94 94 ILE HG22 H 1 1.102 0.011 . . . . . . . 94 ILE HG2 . 50166 1 692 . 1 . 1 94 94 ILE HG23 H 1 1.102 0.011 . . . . . . . 94 ILE HG2 . 50166 1 693 . 1 . 1 94 94 ILE HD11 H 1 0.835 0.012 . . . . . . . 94 ILE HD1 . 50166 1 694 . 1 . 1 94 94 ILE HD12 H 1 0.835 0.012 . . . . . . . 94 ILE HD1 . 50166 1 695 . 1 . 1 94 94 ILE HD13 H 1 0.835 0.012 . . . . . . . 94 ILE HD1 . 50166 1 696 . 1 . 1 94 94 ILE C C 13 174.375 0.027 . . . . . . . 94 ILE CO . 50166 1 697 . 1 . 1 94 94 ILE CA C 13 60.181 0.136 . . . . . . . 94 ILE CA . 50166 1 698 . 1 . 1 94 94 ILE CB C 13 39.815 0.152 . . . . . . . 94 ILE CB . 50166 1 699 . 1 . 1 94 94 ILE CG1 C 13 28.097 0.000 . . . . . . . 94 ILE CG1 . 50166 1 700 . 1 . 1 94 94 ILE CD1 C 13 18.988 0.000 . . . . . . . 94 ILE CD . 50166 1 701 . 1 . 1 94 94 ILE N N 15 122.192 0.051 . . . . . . . 94 ILE N . 50166 1 702 . 1 . 1 95 95 GLU H H 1 8.148 0.008 . . . . . . . 95 GLU H . 50166 1 703 . 1 . 1 95 95 GLU HA H 1 4.314 0.009 . . . . . . . 95 GLU HA . 50166 1 704 . 1 . 1 95 95 GLU HB2 H 1 2.319 0.009 . . . . . . . 95 GLU HB2 . 50166 1 705 . 1 . 1 95 95 GLU HB3 H 1 1.799 0.016 . . . . . . . 95 GLU HB3 . 50166 1 706 . 1 . 1 95 95 GLU HG2 H 1 2.213 0.011 . . . . . . . 95 GLU HG2 . 50166 1 707 . 1 . 1 95 95 GLU C C 13 176.249 0.032 . . . . . . . 95 GLU CO . 50166 1 708 . 1 . 1 95 95 GLU CA C 13 56.003 0.021 . . . . . . . 95 GLU CA . 50166 1 709 . 1 . 1 95 95 GLU CB C 13 28.603 0.124 . . . . . . . 95 GLU CB . 50166 1 710 . 1 . 1 95 95 GLU CG C 13 36.047 0.000 . . . . . . . 95 GLU CG . 50166 1 711 . 1 . 1 95 95 GLU N N 15 118.081 0.069 . . . . . . . 95 GLU N . 50166 1 712 . 1 . 1 96 96 ALA H H 1 7.862 0.007 . . . . . . . 96 ALA H . 50166 1 713 . 1 . 1 96 96 ALA HA H 1 4.178 0.022 . . . . . . . 96 ALA HA . 50166 1 714 . 1 . 1 96 96 ALA HB1 H 1 1.498 0.005 . . . . . . . 96 ALA HB . 50166 1 715 . 1 . 1 96 96 ALA HB2 H 1 1.498 0.005 . . . . . . . 96 ALA HB . 50166 1 716 . 1 . 1 96 96 ALA HB3 H 1 1.498 0.005 . . . . . . . 96 ALA HB . 50166 1 717 . 1 . 1 96 96 ALA C C 13 177.984 0.007 . . . . . . . 96 ALA CO . 50166 1 718 . 1 . 1 96 96 ALA CA C 13 53.215 0.069 . . . . . . . 96 ALA CA . 50166 1 719 . 1 . 1 96 96 ALA CB C 13 19.297 0.271 . . . . . . . 96 ALA CB . 50166 1 720 . 1 . 1 96 96 ALA N N 15 121.869 0.062 . . . . . . . 96 ALA N . 50166 1 721 . 1 . 1 97 97 LYS H H 1 9.110 0.005 . . . . . . . 97 LYS H . 50166 1 722 . 1 . 1 97 97 LYS HA H 1 4.654 0.012 . . . . . . . 97 LYS HA . 50166 1 723 . 1 . 1 97 97 LYS HB2 H 1 2.131 0.009 . . . . . . . 97 LYS HB2 . 50166 1 724 . 1 . 1 97 97 LYS HB3 H 1 1.927 0.009 . . . . . . . 97 LYS HB3 . 50166 1 725 . 1 . 1 97 97 LYS HD2 H 1 1.751 0.019 . . . . . . . 97 LYS HD2 . 50166 1 726 . 1 . 1 97 97 LYS HE2 H 1 3.042 0.001 . . . . . . . 97 LYS HE2 . 50166 1 727 . 1 . 1 97 97 LYS C C 13 178.530 0.001 . . . . . . . 97 LYS CO . 50166 1 728 . 1 . 1 97 97 LYS CA C 13 55.581 0.104 . . . . . . . 97 LYS CA . 50166 1 729 . 1 . 1 97 97 LYS CB C 13 32.029 0.148 . . . . . . . 97 LYS CB . 50166 1 730 . 1 . 1 97 97 LYS CG C 13 25.827 0.000 . . . . . . . 97 LYS CG . 50166 1 731 . 1 . 1 97 97 LYS CD C 13 30.622 0.155 . . . . . . . 97 LYS CD . 50166 1 732 . 1 . 1 97 97 LYS N N 15 121.557 0.066 . . . . . . . 97 LYS N . 50166 1 733 . 1 . 1 98 98 LEU H H 1 8.541 0.006 . . . . . . . 98 LEU H . 50166 1 734 . 1 . 1 98 98 LEU HA H 1 3.958 0.015 . . . . . . . 98 LEU HA . 50166 1 735 . 1 . 1 98 98 LEU HB2 H 1 1.667 0.000 . . . . . . . 98 LEU HB2 . 50166 1 736 . 1 . 1 98 98 LEU HB3 H 1 1.457 0.019 . . . . . . . 98 LEU HB3 . 50166 1 737 . 1 . 1 98 98 LEU HG H 1 1.716 0.008 . . . . . . . 98 LEU HG . 50166 1 738 . 1 . 1 98 98 LEU HD11 H 1 0.721 0.011 . . . . . . . 98 LEU HD1 . 50166 1 739 . 1 . 1 98 98 LEU HD12 H 1 0.721 0.011 . . . . . . . 98 LEU HD1 . 50166 1 740 . 1 . 1 98 98 LEU HD13 H 1 0.721 0.011 . . . . . . . 98 LEU HD1 . 50166 1 741 . 1 . 1 98 98 LEU C C 13 178.482 0.016 . . . . . . . 98 LEU CO . 50166 1 742 . 1 . 1 98 98 LEU CA C 13 58.150 0.207 . . . . . . . 98 LEU CA . 50166 1 743 . 1 . 1 98 98 LEU CB C 13 41.611 0.070 . . . . . . . 98 LEU CB . 50166 1 744 . 1 . 1 98 98 LEU CG C 13 25.807 0.065 . . . . . . . 98 LEU CG . 50166 1 745 . 1 . 1 98 98 LEU N N 15 124.547 0.069 . . . . . . . 98 LEU N . 50166 1 746 . 1 . 1 99 99 GLN H H 1 9.704 0.004 . . . . . . . 99 GLN H . 50166 1 747 . 1 . 1 99 99 GLN HA H 1 4.057 0.012 . . . . . . . 99 GLN HA . 50166 1 748 . 1 . 1 99 99 GLN HB2 H 1 2.038 0.012 . . . . . . . 99 GLN HB2 . 50166 1 749 . 1 . 1 99 99 GLN HG2 H 1 2.431 0.007 . . . . . . . 99 GLN HG2 . 50166 1 750 . 1 . 1 99 99 GLN C C 13 178.143 0.022 . . . . . . . 99 GLN CO . 50166 1 751 . 1 . 1 99 99 GLN CA C 13 59.232 0.239 . . . . . . . 99 GLN CA . 50166 1 752 . 1 . 1 99 99 GLN CB C 13 28.583 0.099 . . . . . . . 99 GLN CB . 50166 1 753 . 1 . 1 99 99 GLN CG C 13 33.962 0.043 . . . . . . . 99 GLN CG . 50166 1 754 . 1 . 1 99 99 GLN N N 15 117.937 0.043 . . . . . . . 99 GLN N . 50166 1 755 . 1 . 1 100 100 ASP H H 1 6.967 0.010 . . . . . . . 100 ASP H . 50166 1 756 . 1 . 1 100 100 ASP HA H 1 4.543 0.014 . . . . . . . 100 ASP HA . 50166 1 757 . 1 . 1 100 100 ASP HB2 H 1 3.044 0.015 . . . . . . . 100 ASP HB2 . 50166 1 758 . 1 . 1 100 100 ASP HB3 H 1 2.737 0.014 . . . . . . . 100 ASP HB3 . 50166 1 759 . 1 . 1 100 100 ASP C C 13 178.466 0.013 . . . . . . . 100 ASP CO . 50166 1 760 . 1 . 1 100 100 ASP CA C 13 57.137 0.051 . . . . . . . 100 ASP CA . 50166 1 761 . 1 . 1 100 100 ASP CB C 13 40.140 0.067 . . . . . . . 100 ASP CB . 50166 1 762 . 1 . 1 100 100 ASP N N 15 118.107 0.070 . . . . . . . 100 ASP N . 50166 1 763 . 1 . 1 101 101 VAL H H 1 7.696 0.008 . . . . . . . 101 VAL H . 50166 1 764 . 1 . 1 101 101 VAL HA H 1 3.677 0.011 . . . . . . . 101 VAL HA . 50166 1 765 . 1 . 1 101 101 VAL HB H 1 2.461 0.014 . . . . . . . 101 VAL HB . 50166 1 766 . 1 . 1 101 101 VAL HG11 H 1 1.164 0.020 . . . . . . . 101 VAL HG1 . 50166 1 767 . 1 . 1 101 101 VAL HG12 H 1 1.164 0.020 . . . . . . . 101 VAL HG1 . 50166 1 768 . 1 . 1 101 101 VAL HG13 H 1 1.164 0.020 . . . . . . . 101 VAL HG1 . 50166 1 769 . 1 . 1 101 101 VAL C C 13 177.327 0.015 . . . . . . . 101 VAL CO . 50166 1 770 . 1 . 1 101 101 VAL CA C 13 66.394 0.068 . . . . . . . 101 VAL CA . 50166 1 771 . 1 . 1 101 101 VAL CB C 13 31.967 0.034 . . . . . . . 101 VAL CB . 50166 1 772 . 1 . 1 101 101 VAL CG1 C 13 22.122 0.020 . . . . . . . 101 VAL CG1 . 50166 1 773 . 1 . 1 101 101 VAL N N 15 120.771 0.051 . . . . . . . 101 VAL N . 50166 1 774 . 1 . 1 102 102 ALA H H 1 8.322 0.012 . . . . . . . 102 ALA H . 50166 1 775 . 1 . 1 102 102 ALA HA H 1 4.015 0.029 . . . . . . . 102 ALA HA . 50166 1 776 . 1 . 1 102 102 ALA HB1 H 1 1.566 0.012 . . . . . . . 102 ALA HB . 50166 1 777 . 1 . 1 102 102 ALA HB2 H 1 1.566 0.012 . . . . . . . 102 ALA HB . 50166 1 778 . 1 . 1 102 102 ALA HB3 H 1 1.566 0.012 . . . . . . . 102 ALA HB . 50166 1 779 . 1 . 1 102 102 ALA C C 13 180.164 0.018 . . . . . . . 102 ALA CO . 50166 1 780 . 1 . 1 102 102 ALA CA C 13 55.776 0.086 . . . . . . . 102 ALA CA . 50166 1 781 . 1 . 1 102 102 ALA CB C 13 17.989 0.104 . . . . . . . 102 ALA CB . 50166 1 782 . 1 . 1 102 102 ALA N N 15 120.583 0.123 . . . . . . . 102 ALA N . 50166 1 783 . 1 . 1 103 103 LEU H H 1 7.525 0.010 . . . . . . . 103 LEU H . 50166 1 784 . 1 . 1 103 103 LEU HA H 1 4.142 0.012 . . . . . . . 103 LEU HA . 50166 1 785 . 1 . 1 103 103 LEU HB2 H 1 1.786 0.036 . . . . . . . 103 LEU HB2 . 50166 1 786 . 1 . 1 103 103 LEU HB3 H 1 1.259 0.001 . . . . . . . 103 LEU HB3 . 50166 1 787 . 1 . 1 103 103 LEU HG H 1 1.638 0.009 . . . . . . . 103 LEU HG . 50166 1 788 . 1 . 1 103 103 LEU HD11 H 1 0.909 0.008 . . . . . . . 103 LEU HD1 . 50166 1 789 . 1 . 1 103 103 LEU HD12 H 1 0.909 0.008 . . . . . . . 103 LEU HD1 . 50166 1 790 . 1 . 1 103 103 LEU HD13 H 1 0.909 0.008 . . . . . . . 103 LEU HD1 . 50166 1 791 . 1 . 1 103 103 LEU C C 13 179.584 0.007 . . . . . . . 103 LEU CO . 50166 1 792 . 1 . 1 103 103 LEU CA C 13 57.338 0.141 . . . . . . . 103 LEU CA . 50166 1 793 . 1 . 1 103 103 LEU CB C 13 42.457 0.113 . . . . . . . 103 LEU CB . 50166 1 794 . 1 . 1 103 103 LEU CG C 13 24.157 0.000 . . . . . . . 103 LEU CG . 50166 1 795 . 1 . 1 103 103 LEU N N 15 116.442 0.065 . . . . . . . 103 LEU N . 50166 1 796 . 1 . 1 104 104 LEU H H 1 8.053 0.006 . . . . . . . 104 LEU H . 50166 1 797 . 1 . 1 104 104 LEU HA H 1 3.868 0.012 . . . . . . . 104 LEU HA . 50166 1 798 . 1 . 1 104 104 LEU HB2 H 1 1.470 0.006 . . . . . . . 104 LEU HB2 . 50166 1 799 . 1 . 1 104 104 LEU HD11 H 1 1.025 0.004 . . . . . . . 104 LEU HD1 . 50166 1 800 . 1 . 1 104 104 LEU HD12 H 1 1.025 0.004 . . . . . . . 104 LEU HD1 . 50166 1 801 . 1 . 1 104 104 LEU HD13 H 1 1.025 0.004 . . . . . . . 104 LEU HD1 . 50166 1 802 . 1 . 1 104 104 LEU HD21 H 1 0.612 0.010 . . . . . . . 104 LEU HD2 . 50166 1 803 . 1 . 1 104 104 LEU HD22 H 1 0.612 0.010 . . . . . . . 104 LEU HD2 . 50166 1 804 . 1 . 1 104 104 LEU HD23 H 1 0.612 0.010 . . . . . . . 104 LEU HD2 . 50166 1 805 . 1 . 1 104 104 LEU C C 13 178.478 0.004 . . . . . . . 104 LEU CO . 50166 1 806 . 1 . 1 104 104 LEU CA C 13 57.423 0.016 . . . . . . . 104 LEU CA . 50166 1 807 . 1 . 1 104 104 LEU CB C 13 42.331 0.007 . . . . . . . 104 LEU CB . 50166 1 808 . 1 . 1 104 104 LEU CG C 13 24.106 0.000 . . . . . . . 104 LEU CG . 50166 1 809 . 1 . 1 104 104 LEU N N 15 119.714 0.044 . . . . . . . 104 LEU N . 50166 1 810 . 1 . 1 105 105 TYR H H 1 7.518 0.010 . . . . . . . 105 TYR H . 50166 1 811 . 1 . 1 105 105 TYR HA H 1 4.455 0.010 . . . . . . . 105 TYR HA . 50166 1 812 . 1 . 1 105 105 TYR HB2 H 1 3.033 0.014 . . . . . . . 105 TYR HB2 . 50166 1 813 . 1 . 1 105 105 TYR HB3 H 1 2.411 0.014 . . . . . . . 105 TYR HB3 . 50166 1 814 . 1 . 1 105 105 TYR HD1 H 1 6.896 0.019 . . . . . . . 105 TYR HD1 . 50166 1 815 . 1 . 1 105 105 TYR HE2 H 1 6.413 0.019 . . . . . . . 105 TYR HE2 . 50166 1 816 . 1 . 1 105 105 TYR C C 13 175.520 0.005 . . . . . . . 105 TYR CO . 50166 1 817 . 1 . 1 105 105 TYR CA C 13 57.943 0.095 . . . . . . . 105 TYR CA . 50166 1 818 . 1 . 1 105 105 TYR CB C 13 38.193 0.279 . . . . . . . 105 TYR CB . 50166 1 819 . 1 . 1 105 105 TYR N N 15 112.467 0.097 . . . . . . . 105 TYR N . 50166 1 820 . 1 . 1 106 106 GLY H H 1 7.587 0.010 . . . . . . . 106 GLY H . 50166 1 821 . 1 . 1 106 106 GLY HA2 H 1 3.905 0.001 . . . . . . . 106 GLY HA2 . 50166 1 822 . 1 . 1 106 106 GLY C C 13 174.904 0.008 . . . . . . . 106 GLY CO . 50166 1 823 . 1 . 1 106 106 GLY CA C 13 47.247 0.071 . . . . . . . 106 GLY CA . 50166 1 824 . 1 . 1 106 106 GLY N N 15 110.679 0.035 . . . . . . . 106 GLY N . 50166 1 825 . 1 . 1 107 107 LEU H H 1 8.037 0.008 . . . . . . . 107 LEU H . 50166 1 826 . 1 . 1 107 107 LEU HA H 1 4.447 0.014 . . . . . . . 107 LEU HA . 50166 1 827 . 1 . 1 107 107 LEU HB2 H 1 1.476 0.013 . . . . . . . 107 LEU HB2 . 50166 1 828 . 1 . 1 107 107 LEU HB3 H 1 1.262 0.014 . . . . . . . 107 LEU HB3 . 50166 1 829 . 1 . 1 107 107 LEU HD11 H 1 0.726 0.011 . . . . . . . 107 LEU HD1 . 50166 1 830 . 1 . 1 107 107 LEU HD12 H 1 0.726 0.011 . . . . . . . 107 LEU HD1 . 50166 1 831 . 1 . 1 107 107 LEU HD13 H 1 0.726 0.011 . . . . . . . 107 LEU HD1 . 50166 1 832 . 1 . 1 107 107 LEU C C 13 175.651 0.009 . . . . . . . 107 LEU CO . 50166 1 833 . 1 . 1 107 107 LEU CA C 13 53.050 0.093 . . . . . . . 107 LEU CA . 50166 1 834 . 1 . 1 107 107 LEU CB C 13 44.277 0.063 . . . . . . . 107 LEU CB . 50166 1 835 . 1 . 1 107 107 LEU CG C 13 25.802 0.000 . . . . . . . 107 LEU CG . 50166 1 836 . 1 . 1 107 107 LEU CD1 C 13 22.257 0.007 . . . . . . . 107 LEU CD . 50166 1 837 . 1 . 1 107 107 LEU CD2 C 13 22.257 0.007 . . . . . . . 107 LEU CD . 50166 1 838 . 1 . 1 107 107 LEU N N 15 118.083 0.070 . . . . . . . 107 LEU N . 50166 1 839 . 1 . 1 108 108 ASP H H 1 8.545 0.006 . . . . . . . 108 ASP H . 50166 1 840 . 1 . 1 108 108 ASP HA H 1 4.691 0.006 . . . . . . . 108 ASP HA . 50166 1 841 . 1 . 1 108 108 ASP HB2 H 1 2.800 0.016 . . . . . . . 108 ASP HB2 . 50166 1 842 . 1 . 1 108 108 ASP HB3 H 1 2.504 0.015 . . . . . . . 108 ASP HB3 . 50166 1 843 . 1 . 1 108 108 ASP C C 13 175.650 0.009 . . . . . . . 108 ASP CO . 50166 1 844 . 1 . 1 108 108 ASP CA C 13 52.793 0.088 . . . . . . . 108 ASP CA . 50166 1 845 . 1 . 1 108 108 ASP CB C 13 40.336 0.096 . . . . . . . 108 ASP CB . 50166 1 846 . 1 . 1 108 108 ASP N N 15 121.199 0.051 . . . . . . . 108 ASP N . 50166 1 847 . 1 . 1 109 109 LEU H H 1 8.185 0.007 . . . . . . . 109 LEU H . 50166 1 848 . 1 . 1 109 109 LEU HA H 1 3.900 0.006 . . . . . . . 109 LEU HA . 50166 1 849 . 1 . 1 109 109 LEU HB2 H 1 1.616 0.006 . . . . . . . 109 LEU HB2 . 50166 1 850 . 1 . 1 109 109 LEU HG H 1 1.670 0.004 . . . . . . . 109 LEU HG . 50166 1 851 . 1 . 1 109 109 LEU HD11 H 1 1.071 0.006 . . . . . . . 109 LEU HD1 . 50166 1 852 . 1 . 1 109 109 LEU HD12 H 1 1.071 0.006 . . . . . . . 109 LEU HD1 . 50166 1 853 . 1 . 1 109 109 LEU HD13 H 1 1.071 0.006 . . . . . . . 109 LEU HD1 . 50166 1 854 . 1 . 1 109 109 LEU HD21 H 1 0.797 0.006 . . . . . . . 109 LEU HD2 . 50166 1 855 . 1 . 1 109 109 LEU HD22 H 1 0.797 0.006 . . . . . . . 109 LEU HD2 . 50166 1 856 . 1 . 1 109 109 LEU HD23 H 1 0.797 0.006 . . . . . . . 109 LEU HD2 . 50166 1 857 . 1 . 1 109 109 LEU C C 13 176.046 0.011 . . . . . . . 109 LEU CO . 50166 1 858 . 1 . 1 109 109 LEU CA C 13 52.758 0.049 . . . . . . . 109 LEU CA . 50166 1 859 . 1 . 1 109 109 LEU CB C 13 40.992 0.082 . . . . . . . 109 LEU CB . 50166 1 860 . 1 . 1 109 109 LEU CG C 13 25.993 0.000 . . . . . . . 109 LEU CG . 50166 1 861 . 1 . 1 109 109 LEU N N 15 124.000 0.050 . . . . . . . 109 LEU N . 50166 1 862 . 1 . 1 110 110 GLY H H 1 8.059 0.010 . . . . . . . 110 GLY H . 50166 1 863 . 1 . 1 110 110 GLY HA2 H 1 3.825 0.004 . . . . . . . 110 GLY HA2 . 50166 1 864 . 1 . 1 110 110 GLY HA3 H 1 3.734 0.004 . . . . . . . 110 GLY HA3 . 50166 1 865 . 1 . 1 110 110 GLY C C 13 173.728 0.002 . . . . . . . 110 GLY CO . 50166 1 866 . 1 . 1 110 110 GLY CA C 13 44.892 0.070 . . . . . . . 110 GLY CA . 50166 1 867 . 1 . 1 110 110 GLY N N 15 106.267 0.069 . . . . . . . 110 GLY N . 50166 1 868 . 1 . 1 111 111 GLU H H 1 8.389 0.008 . . . . . . . 111 GLU H . 50166 1 869 . 1 . 1 111 111 GLU HA H 1 4.214 0.009 . . . . . . . 111 GLU HA . 50166 1 870 . 1 . 1 111 111 GLU HB2 H 1 1.925 0.005 . . . . . . . 111 GLU HB2 . 50166 1 871 . 1 . 1 111 111 GLU HG2 H 1 2.210 0.017 . . . . . . . 111 GLU HG2 . 50166 1 872 . 1 . 1 111 111 GLU C C 13 176.462 0.019 . . . . . . . 111 GLU CO . 50166 1 873 . 1 . 1 111 111 GLU CA C 13 56.819 0.128 . . . . . . . 111 GLU CA . 50166 1 874 . 1 . 1 111 111 GLU CB C 13 29.417 0.248 . . . . . . . 111 GLU CB . 50166 1 875 . 1 . 1 111 111 GLU CG C 13 36.186 0.003 . . . . . . . 111 GLU CG . 50166 1 876 . 1 . 1 111 111 GLU N N 15 121.126 0.049 . . . . . . . 111 GLU N . 50166 1 877 . 1 . 1 112 112 LEU H H 1 8.233 0.004 . . . . . . . 112 LEU H . 50166 1 878 . 1 . 1 112 112 LEU HA H 1 4.611 0.010 . . . . . . . 112 LEU HA . 50166 1 879 . 1 . 1 112 112 LEU HB2 H 1 1.635 0.005 . . . . . . . 112 LEU HB2 . 50166 1 880 . 1 . 1 112 112 LEU HB3 H 1 1.427 0.010 . . . . . . . 112 LEU HB3 . 50166 1 881 . 1 . 1 112 112 LEU HG H 1 1.630 0.000 . . . . . . . 112 LEU HG . 50166 1 882 . 1 . 1 112 112 LEU HD11 H 1 0.951 0.012 . . . . . . . 112 LEU HD1 . 50166 1 883 . 1 . 1 112 112 LEU HD12 H 1 0.951 0.012 . . . . . . . 112 LEU HD1 . 50166 1 884 . 1 . 1 112 112 LEU HD13 H 1 0.951 0.012 . . . . . . . 112 LEU HD1 . 50166 1 885 . 1 . 1 112 112 LEU HD21 H 1 0.826 0.006 . . . . . . . 112 LEU HD2 . 50166 1 886 . 1 . 1 112 112 LEU HD22 H 1 0.826 0.006 . . . . . . . 112 LEU HD2 . 50166 1 887 . 1 . 1 112 112 LEU HD23 H 1 0.826 0.006 . . . . . . . 112 LEU HD2 . 50166 1 888 . 1 . 1 112 112 LEU C C 13 177.478 0.010 . . . . . . . 112 LEU CO . 50166 1 889 . 1 . 1 112 112 LEU CA C 13 53.943 0.111 . . . . . . . 112 LEU CA . 50166 1 890 . 1 . 1 112 112 LEU CB C 13 44.738 0.119 . . . . . . . 112 LEU CB . 50166 1 891 . 1 . 1 112 112 LEU CG C 13 26.230 0.026 . . . . . . . 112 LEU CG . 50166 1 892 . 1 . 1 112 112 LEU CD1 C 13 24.016 0.008 . . . . . . . 112 LEU CD . 50166 1 893 . 1 . 1 112 112 LEU CD2 C 13 24.016 0.008 . . . . . . . 112 LEU CD . 50166 1 894 . 1 . 1 112 112 LEU N N 15 125.777 0.125 . . . . . . . 112 LEU N . 50166 1 895 . 1 . 1 113 113 GLU H H 1 8.561 0.004 . . . . . . . 113 GLU H . 50166 1 896 . 1 . 1 113 113 GLU HA H 1 4.268 0.012 . . . . . . . 113 GLU HA . 50166 1 897 . 1 . 1 113 113 GLU HB2 H 1 2.141 0.016 . . . . . . . 113 GLU HB2 . 50166 1 898 . 1 . 1 113 113 GLU HB3 H 1 1.940 0.008 . . . . . . . 113 GLU HB3 . 50166 1 899 . 1 . 1 113 113 GLU HG2 H 1 2.383 0.019 . . . . . . . 113 GLU HG2 . 50166 1 900 . 1 . 1 113 113 GLU C C 13 177.449 0.014 . . . . . . . 113 GLU CO . 50166 1 901 . 1 . 1 113 113 GLU CA C 13 56.261 0.080 . . . . . . . 113 GLU CA . 50166 1 902 . 1 . 1 113 113 GLU CB C 13 30.427 0.192 . . . . . . . 113 GLU CB . 50166 1 903 . 1 . 1 113 113 GLU CG C 13 36.394 0.058 . . . . . . . 113 GLU CG . 50166 1 904 . 1 . 1 113 113 GLU N N 15 122.213 0.068 . . . . . . . 113 GLU N . 50166 1 905 . 1 . 1 114 114 ALA H H 1 8.563 0.011 . . . . . . . 114 ALA H . 50166 1 906 . 1 . 1 114 114 ALA HA H 1 3.989 0.009 . . . . . . . 114 ALA HA . 50166 1 907 . 1 . 1 114 114 ALA HB1 H 1 1.386 0.006 . . . . . . . 114 ALA HB . 50166 1 908 . 1 . 1 114 114 ALA HB2 H 1 1.386 0.006 . . . . . . . 114 ALA HB . 50166 1 909 . 1 . 1 114 114 ALA HB3 H 1 1.386 0.006 . . . . . . . 114 ALA HB . 50166 1 910 . 1 . 1 114 114 ALA C C 13 178.285 0.014 . . . . . . . 114 ALA CO . 50166 1 911 . 1 . 1 114 114 ALA CA C 13 54.457 0.059 . . . . . . . 114 ALA CA . 50166 1 912 . 1 . 1 114 114 ALA CB C 13 18.502 0.117 . . . . . . . 114 ALA CB . 50166 1 913 . 1 . 1 114 114 ALA N N 15 124.731 0.115 . . . . . . . 114 ALA N . 50166 1 914 . 1 . 1 115 115 ASP H H 1 8.340 0.004 . . . . . . . 115 ASP H . 50166 1 915 . 1 . 1 115 115 ASP HA H 1 4.539 0.008 . . . . . . . 115 ASP HA . 50166 1 916 . 1 . 1 115 115 ASP HB2 H 1 2.758 0.019 . . . . . . . 115 ASP HB2 . 50166 1 917 . 1 . 1 115 115 ASP HB3 H 1 2.651 0.010 . . . . . . . 115 ASP HB3 . 50166 1 918 . 1 . 1 115 115 ASP C C 13 175.801 0.004 . . . . . . . 115 ASP CO . 50166 1 919 . 1 . 1 115 115 ASP CA C 13 53.953 0.063 . . . . . . . 115 ASP CA . 50166 1 920 . 1 . 1 115 115 ASP CB C 13 40.527 0.054 . . . . . . . 115 ASP CB . 50166 1 921 . 1 . 1 115 115 ASP N N 15 114.625 0.067 . . . . . . . 115 ASP N . 50166 1 922 . 1 . 1 116 116 ALA H H 1 7.325 0.007 . . . . . . . 116 ALA H . 50166 1 923 . 1 . 1 116 116 ALA HA H 1 4.248 0.008 . . . . . . . 116 ALA HA . 50166 1 924 . 1 . 1 116 116 ALA HB1 H 1 1.511 0.011 . . . . . . . 116 ALA HB . 50166 1 925 . 1 . 1 116 116 ALA HB2 H 1 1.511 0.011 . . . . . . . 116 ALA HB . 50166 1 926 . 1 . 1 116 116 ALA HB3 H 1 1.511 0.011 . . . . . . . 116 ALA HB . 50166 1 927 . 1 . 1 116 116 ALA C C 13 178.689 0.016 . . . . . . . 116 ALA CO . 50166 1 928 . 1 . 1 116 116 ALA CA C 13 53.317 0.123 . . . . . . . 116 ALA CA . 50166 1 929 . 1 . 1 116 116 ALA CB C 13 19.487 0.088 . . . . . . . 116 ALA CB . 50166 1 930 . 1 . 1 116 116 ALA N N 15 121.681 0.089 . . . . . . . 116 ALA N . 50166 1 931 . 1 . 1 117 117 LYS H H 1 9.253 0.006 . . . . . . . 117 LYS H . 50166 1 932 . 1 . 1 117 117 LYS HA H 1 4.869 0.014 . . . . . . . 117 LYS HA . 50166 1 933 . 1 . 1 117 117 LYS HB2 H 1 1.931 0.014 . . . . . . . 117 LYS HB2 . 50166 1 934 . 1 . 1 117 117 LYS HB3 H 1 1.745 0.012 . . . . . . . 117 LYS HB3 . 50166 1 935 . 1 . 1 117 117 LYS HG2 H 1 1.440 0.004 . . . . . . . 117 LYS HG2 . 50166 1 936 . 1 . 1 117 117 LYS C C 13 177.499 0.026 . . . . . . . 117 LYS CO . 50166 1 937 . 1 . 1 117 117 LYS CA C 13 55.161 0.199 . . . . . . . 117 LYS CA . 50166 1 938 . 1 . 1 117 117 LYS CB C 13 35.456 0.087 . . . . . . . 117 LYS CB . 50166 1 939 . 1 . 1 117 117 LYS CG C 13 25.066 0.002 . . . . . . . 117 LYS CG . 50166 1 940 . 1 . 1 117 117 LYS N N 15 123.366 0.082 . . . . . . . 117 LYS N . 50166 1 941 . 1 . 1 118 118 LEU H H 1 8.732 0.008 . . . . . . . 118 LEU H . 50166 1 942 . 1 . 1 118 118 LEU HA H 1 3.850 0.005 . . . . . . . 118 LEU HA . 50166 1 943 . 1 . 1 118 118 LEU HB2 H 1 1.991 0.010 . . . . . . . 118 LEU HB2 . 50166 1 944 . 1 . 1 118 118 LEU HB3 H 1 1.360 0.015 . . . . . . . 118 LEU HB3 . 50166 1 945 . 1 . 1 118 118 LEU HD11 H 1 0.937 0.011 . . . . . . . 118 LEU HD1 . 50166 1 946 . 1 . 1 118 118 LEU HD12 H 1 0.937 0.011 . . . . . . . 118 LEU HD1 . 50166 1 947 . 1 . 1 118 118 LEU HD13 H 1 0.937 0.011 . . . . . . . 118 LEU HD1 . 50166 1 948 . 1 . 1 118 118 LEU C C 13 178.105 0.001 . . . . . . . 118 LEU CO . 50166 1 949 . 1 . 1 118 118 LEU CA C 13 58.180 0.022 . . . . . . . 118 LEU CA . 50166 1 950 . 1 . 1 118 118 LEU CB C 13 41.778 0.066 . . . . . . . 118 LEU CB . 50166 1 951 . 1 . 1 118 118 LEU CG C 13 27.395 0.000 . . . . . . . 118 LEU CG . 50166 1 952 . 1 . 1 118 118 LEU N N 15 125.054 0.044 . . . . . . . 118 LEU N . 50166 1 953 . 1 . 1 119 119 LYS H H 1 8.529 0.004 . . . . . . . 119 LYS H . 50166 1 954 . 1 . 1 119 119 LYS HA H 1 3.703 0.010 . . . . . . . 119 LYS HA . 50166 1 955 . 1 . 1 119 119 LYS HB2 H 1 1.865 0.012 . . . . . . . 119 LYS HB2 . 50166 1 956 . 1 . 1 119 119 LYS HB3 H 1 1.608 0.006 . . . . . . . 119 LYS HB3 . 50166 1 957 . 1 . 1 119 119 LYS HG2 H 1 1.335 0.006 . . . . . . . 119 LYS HG2 . 50166 1 958 . 1 . 1 119 119 LYS C C 13 177.431 0.003 . . . . . . . 119 LYS CO . 50166 1 959 . 1 . 1 119 119 LYS CA C 13 59.740 0.036 . . . . . . . 119 LYS CA . 50166 1 960 . 1 . 1 119 119 LYS CB C 13 32.654 0.148 . . . . . . . 119 LYS CB . 50166 1 961 . 1 . 1 119 119 LYS CG C 13 24.024 0.026 . . . . . . . 119 LYS CG . 50166 1 962 . 1 . 1 119 119 LYS N N 15 117.085 0.060 . . . . . . . 119 LYS N . 50166 1 963 . 1 . 1 120 120 ASP H H 1 6.773 0.015 . . . . . . . 120 ASP H . 50166 1 964 . 1 . 1 120 120 ASP HA H 1 4.333 0.010 . . . . . . . 120 ASP HA . 50166 1 965 . 1 . 1 120 120 ASP HB2 H 1 2.665 0.009 . . . . . . . 120 ASP HB2 . 50166 1 966 . 1 . 1 120 120 ASP HB3 H 1 2.410 0.000 . . . . . . . 120 ASP HB3 . 50166 1 967 . 1 . 1 120 120 ASP C C 13 177.699 0.013 . . . . . . . 120 ASP CO . 50166 1 968 . 1 . 1 120 120 ASP CA C 13 57.078 0.045 . . . . . . . 120 ASP CA . 50166 1 969 . 1 . 1 120 120 ASP CB C 13 40.494 0.094 . . . . . . . 120 ASP CB . 50166 1 970 . 1 . 1 120 120 ASP N N 15 117.971 0.073 . . . . . . . 120 ASP N . 50166 1 971 . 1 . 1 121 121 LEU H H 1 6.943 0.010 . . . . . . . 121 LEU H . 50166 1 972 . 1 . 1 121 121 LEU HA H 1 3.858 0.010 . . . . . . . 121 LEU HA . 50166 1 973 . 1 . 1 121 121 LEU HB2 H 1 1.599 0.009 . . . . . . . 121 LEU HB2 . 50166 1 974 . 1 . 1 121 121 LEU HB3 H 1 1.119 0.011 . . . . . . . 121 LEU HB3 . 50166 1 975 . 1 . 1 121 121 LEU HD11 H 1 0.768 0.009 . . . . . . . 121 LEU HD1 . 50166 1 976 . 1 . 1 121 121 LEU HD12 H 1 0.768 0.009 . . . . . . . 121 LEU HD1 . 50166 1 977 . 1 . 1 121 121 LEU HD13 H 1 0.768 0.009 . . . . . . . 121 LEU HD1 . 50166 1 978 . 1 . 1 121 121 LEU HD21 H 1 -0.516 0.006 . . . . . . . 121 LEU HD2 . 50166 1 979 . 1 . 1 121 121 LEU HD22 H 1 -0.516 0.006 . . . . . . . 121 LEU HD2 . 50166 1 980 . 1 . 1 121 121 LEU HD23 H 1 -0.516 0.006 . . . . . . . 121 LEU HD2 . 50166 1 981 . 1 . 1 121 121 LEU C C 13 178.839 0.013 . . . . . . . 121 LEU CO . 50166 1 982 . 1 . 1 121 121 LEU CA C 13 57.667 0.150 . . . . . . . 121 LEU CA . 50166 1 983 . 1 . 1 121 121 LEU CB C 13 42.390 0.080 . . . . . . . 121 LEU CB . 50166 1 984 . 1 . 1 121 121 LEU CG C 13 25.751 0.000 . . . . . . . 121 LEU CG . 50166 1 985 . 1 . 1 121 121 LEU CD1 C 13 24.307 0.052 . . . . . . . 121 LEU CD1 . 50166 1 986 . 1 . 1 121 121 LEU CD2 C 13 22.229 0.051 . . . . . . . 121 LEU CD2 . 50166 1 987 . 1 . 1 121 121 LEU N N 15 122.707 0.077 . . . . . . . 121 LEU N . 50166 1 988 . 1 . 1 122 122 VAL H H 1 8.072 0.004 . . . . . . . 122 VAL H . 50166 1 989 . 1 . 1 122 122 VAL HA H 1 3.254 0.015 . . . . . . . 122 VAL HA . 50166 1 990 . 1 . 1 122 122 VAL HB H 1 2.065 0.011 . . . . . . . 122 VAL HB . 50166 1 991 . 1 . 1 122 122 VAL HG11 H 1 0.977 0.020 . . . . . . . 122 VAL HG1 . 50166 1 992 . 1 . 1 122 122 VAL HG12 H 1 0.977 0.020 . . . . . . . 122 VAL HG1 . 50166 1 993 . 1 . 1 122 122 VAL HG13 H 1 0.977 0.020 . . . . . . . 122 VAL HG1 . 50166 1 994 . 1 . 1 122 122 VAL C C 13 177.481 0.010 . . . . . . . 122 VAL CO . 50166 1 995 . 1 . 1 122 122 VAL CA C 13 66.291 0.065 . . . . . . . 122 VAL CA . 50166 1 996 . 1 . 1 122 122 VAL CB C 13 31.620 0.197 . . . . . . . 122 VAL CB . 50166 1 997 . 1 . 1 122 122 VAL CG1 C 13 23.067 0.022 . . . . . . . 122 VAL CG1 . 50166 1 998 . 1 . 1 122 122 VAL CG2 C 13 21.659 0.000 . . . . . . . 122 VAL CG2 . 50166 1 999 . 1 . 1 122 122 VAL N N 15 118.314 0.079 . . . . . . . 122 VAL N . 50166 1 1000 . 1 . 1 123 123 LEU H H 1 7.731 0.004 . . . . . . . 123 LEU H . 50166 1 1001 . 1 . 1 123 123 LEU HA H 1 3.937 0.018 . . . . . . . 123 LEU HA . 50166 1 1002 . 1 . 1 123 123 LEU HB2 H 1 1.639 0.013 . . . . . . . 123 LEU HB2 . 50166 1 1003 . 1 . 1 123 123 LEU HG H 1 1.534 0.005 . . . . . . . 123 LEU HG . 50166 1 1004 . 1 . 1 123 123 LEU HD11 H 1 0.812 0.012 . . . . . . . 123 LEU HD1 . 50166 1 1005 . 1 . 1 123 123 LEU HD12 H 1 0.812 0.012 . . . . . . . 123 LEU HD1 . 50166 1 1006 . 1 . 1 123 123 LEU HD13 H 1 0.812 0.012 . . . . . . . 123 LEU HD1 . 50166 1 1007 . 1 . 1 123 123 LEU C C 13 179.560 0.019 . . . . . . . 123 LEU CO . 50166 1 1008 . 1 . 1 123 123 LEU CA C 13 57.976 0.018 . . . . . . . 123 LEU CA . 50166 1 1009 . 1 . 1 123 123 LEU CB C 13 42.086 0.276 . . . . . . . 123 LEU CB . 50166 1 1010 . 1 . 1 123 123 LEU CG C 13 27.179 0.085 . . . . . . . 123 LEU CG . 50166 1 1011 . 1 . 1 123 123 LEU CD1 C 13 24.034 0.122 . . . . . . . 123 LEU CD . 50166 1 1012 . 1 . 1 123 123 LEU CD2 C 13 24.034 0.122 . . . . . . . 123 LEU CD . 50166 1 1013 . 1 . 1 123 123 LEU N N 15 120.888 0.072 . . . . . . . 123 LEU N . 50166 1 1014 . 1 . 1 124 124 GLU H H 1 7.593 0.003 . . . . . . . 124 GLU H . 50166 1 1015 . 1 . 1 124 124 GLU HA H 1 3.726 0.011 . . . . . . . 124 GLU HA . 50166 1 1016 . 1 . 1 124 124 GLU HB2 H 1 1.882 0.015 . . . . . . . 124 GLU HB2 . 50166 1 1017 . 1 . 1 124 124 GLU HB3 H 1 1.658 0.010 . . . . . . . 124 GLU HB3 . 50166 1 1018 . 1 . 1 124 124 GLU HG2 H 1 1.599 0.132 . . . . . . . 124 GLU HG2 . 50166 1 1019 . 1 . 1 124 124 GLU C C 13 177.286 0.016 . . . . . . . 124 GLU CO . 50166 1 1020 . 1 . 1 124 124 GLU CA C 13 58.619 0.053 . . . . . . . 124 GLU CA . 50166 1 1021 . 1 . 1 124 124 GLU CB C 13 29.393 0.117 . . . . . . . 124 GLU CB . 50166 1 1022 . 1 . 1 124 124 GLU CG C 13 35.205 0.028 . . . . . . . 124 GLU CG . 50166 1 1023 . 1 . 1 124 124 GLU N N 15 117.728 0.067 . . . . . . . 124 GLU N . 50166 1 1024 . 1 . 1 125 125 HIS H H 1 7.088 0.009 . . . . . . . 125 HIS H . 50166 1 1025 . 1 . 1 125 125 HIS HA H 1 4.079 0.008 . . . . . . . 125 HIS HA . 50166 1 1026 . 1 . 1 125 125 HIS HB2 H 1 2.286 0.017 . . . . . . . 125 HIS HB2 . 50166 1 1027 . 1 . 1 125 125 HIS HB3 H 1 1.332 0.017 . . . . . . . 125 HIS HB3 . 50166 1 1028 . 1 . 1 125 125 HIS HD1 H 1 6.846 0.014 . . . . . . . 125 HIS HD1 . 50166 1 1029 . 1 . 1 125 125 HIS C C 13 176.034 0.006 . . . . . . . 125 HIS CO . 50166 1 1030 . 1 . 1 125 125 HIS CA C 13 58.616 0.091 . . . . . . . 125 HIS CA . 50166 1 1031 . 1 . 1 125 125 HIS CB C 13 30.001 0.037 . . . . . . . 125 HIS CB . 50166 1 1032 . 1 . 1 125 125 HIS N N 15 112.352 0.114 . . . . . . . 125 HIS N . 50166 1 1033 . 1 . 1 126 126 LEU H H 1 8.562 0.003 . . . . . . . 126 LEU H . 50166 1 1034 . 1 . 1 126 126 LEU HA H 1 4.596 0.013 . . . . . . . 126 LEU HA . 50166 1 1035 . 1 . 1 126 126 LEU HB2 H 1 1.771 0.014 . . . . . . . 126 LEU HB2 . 50166 1 1036 . 1 . 1 126 126 LEU HB3 H 1 1.536 0.015 . . . . . . . 126 LEU HB3 . 50166 1 1037 . 1 . 1 126 126 LEU HD11 H 1 0.933 0.006 . . . . . . . 126 LEU HD1 . 50166 1 1038 . 1 . 1 126 126 LEU HD12 H 1 0.933 0.006 . . . . . . . 126 LEU HD1 . 50166 1 1039 . 1 . 1 126 126 LEU HD13 H 1 0.933 0.006 . . . . . . . 126 LEU HD1 . 50166 1 1040 . 1 . 1 126 126 LEU C C 13 177.385 0.004 . . . . . . . 126 LEU CO . 50166 1 1041 . 1 . 1 126 126 LEU CA C 13 54.241 0.069 . . . . . . . 126 LEU CA . 50166 1 1042 . 1 . 1 126 126 LEU CB C 13 43.391 0.111 . . . . . . . 126 LEU CB . 50166 1 1043 . 1 . 1 126 126 LEU CG C 13 26.885 0.000 . . . . . . . 126 LEU CG . 50166 1 1044 . 1 . 1 126 126 LEU CD1 C 13 22.758 0.033 . . . . . . . 126 LEU CD . 50166 1 1045 . 1 . 1 126 126 LEU CD2 C 13 22.758 0.033 . . . . . . . 126 LEU CD . 50166 1 1046 . 1 . 1 126 126 LEU N N 15 116.592 0.074 . . . . . . . 126 LEU N . 50166 1 1047 . 1 . 1 127 127 GLY H H 1 7.695 0.006 . . . . . . . 127 GLY H . 50166 1 1048 . 1 . 1 127 127 GLY HA2 H 1 4.153 0.010 . . . . . . . 127 GLY HA2 . 50166 1 1049 . 1 . 1 127 127 GLY HA3 H 1 3.856 0.009 . . . . . . . 127 GLY HA3 . 50166 1 1050 . 1 . 1 127 127 GLY C C 13 172.892 0.007 . . . . . . . 127 GLY CO . 50166 1 1051 . 1 . 1 127 127 GLY CA C 13 44.759 0.057 . . . . . . . 127 GLY CA . 50166 1 1052 . 1 . 1 127 127 GLY N N 15 108.730 0.051 . . . . . . . 127 GLY N . 50166 1 1053 . 1 . 1 128 128 GLU H H 1 8.355 0.005 . . . . . . . 128 GLU H . 50166 1 1054 . 1 . 1 128 128 GLU HA H 1 4.017 0.008 . . . . . . . 128 GLU HA . 50166 1 1055 . 1 . 1 128 128 GLU HB2 H 1 2.078 0.013 . . . . . . . 128 GLU HB2 . 50166 1 1056 . 1 . 1 128 128 GLU HB3 H 1 1.934 0.010 . . . . . . . 128 GLU HB3 . 50166 1 1057 . 1 . 1 128 128 GLU HG2 H 1 2.249 0.013 . . . . . . . 128 GLU HG2 . 50166 1 1058 . 1 . 1 128 128 GLU C C 13 177.741 0.004 . . . . . . . 128 GLU CO . 50166 1 1059 . 1 . 1 128 128 GLU CA C 13 58.335 0.068 . . . . . . . 128 GLU CA . 50166 1 1060 . 1 . 1 128 128 GLU CB C 13 31.417 0.097 . . . . . . . 128 GLU CB . 50166 1 1061 . 1 . 1 128 128 GLU CG C 13 36.988 0.000 . . . . . . . 128 GLU CG . 50166 1 1062 . 1 . 1 128 128 GLU N N 15 115.461 0.068 . . . . . . . 128 GLU N . 50166 1 1063 . 1 . 1 129 129 THR H H 1 8.607 0.005 . . . . . . . 129 THR H . 50166 1 1064 . 1 . 1 129 129 THR HA H 1 4.821 0.008 . . . . . . . 129 THR HA . 50166 1 1065 . 1 . 1 129 129 THR HB H 1 4.216 0.014 . . . . . . . 129 THR HB . 50166 1 1066 . 1 . 1 129 129 THR HG21 H 1 0.920 0.005 . . . . . . . 129 THR HG1 . 50166 1 1067 . 1 . 1 129 129 THR HG22 H 1 0.920 0.005 . . . . . . . 129 THR HG1 . 50166 1 1068 . 1 . 1 129 129 THR HG23 H 1 0.920 0.005 . . . . . . . 129 THR HG1 . 50166 1 1069 . 1 . 1 129 129 THR C C 13 171.881 0.000 . . . . . . . 129 THR CO . 50166 1 1070 . 1 . 1 129 129 THR CA C 13 57.702 0.098 . . . . . . . 129 THR CA . 50166 1 1071 . 1 . 1 129 129 THR CB C 13 69.530 0.026 . . . . . . . 129 THR CB . 50166 1 1072 . 1 . 1 129 129 THR N N 15 110.171 0.075 . . . . . . . 129 THR N . 50166 1 1073 . 1 . 1 130 130 PRO HA H 1 4.633 0.014 . . . . . . . 130 PRO HA . 50166 1 1074 . 1 . 1 130 130 PRO HB2 H 1 2.163 0.013 . . . . . . . 130 PRO HB2 . 50166 1 1075 . 1 . 1 130 130 PRO HB3 H 1 1.777 0.014 . . . . . . . 130 PRO HB3 . 50166 1 1076 . 1 . 1 130 130 PRO HG2 H 1 1.704 0.022 . . . . . . . 130 PRO HG2 . 50166 1 1077 . 1 . 1 130 130 PRO HD2 H 1 3.422 0.015 . . . . . . . 130 PRO HD2 . 50166 1 1078 . 1 . 1 130 130 PRO C C 13 175.206 0.002 . . . . . . . 130 PRO CO . 50166 1 1079 . 1 . 1 130 130 PRO CA C 13 62.551 0.126 . . . . . . . 130 PRO CA . 50166 1 1080 . 1 . 1 130 130 PRO CB C 13 33.344 0.109 . . . . . . . 130 PRO CB . 50166 1 1081 . 1 . 1 130 130 PRO CG C 13 27.293 0.076 . . . . . . . 130 PRO CG . 50166 1 1082 . 1 . 1 131 131 VAL H H 1 8.528 0.006 . . . . . . . 131 VAL H . 50166 1 1083 . 1 . 1 131 131 VAL HA H 1 4.373 0.010 . . . . . . . 131 VAL HA . 50166 1 1084 . 1 . 1 131 131 VAL HB H 1 2.083 0.011 . . . . . . . 131 VAL HB . 50166 1 1085 . 1 . 1 131 131 VAL HG11 H 1 0.965 0.010 . . . . . . . 131 VAL HG1 . 50166 1 1086 . 1 . 1 131 131 VAL HG12 H 1 0.965 0.010 . . . . . . . 131 VAL HG1 . 50166 1 1087 . 1 . 1 131 131 VAL HG13 H 1 0.965 0.010 . . . . . . . 131 VAL HG1 . 50166 1 1088 . 1 . 1 131 131 VAL HG21 H 1 0.876 0.015 . . . . . . . 131 VAL HG2 . 50166 1 1089 . 1 . 1 131 131 VAL HG22 H 1 0.876 0.015 . . . . . . . 131 VAL HG2 . 50166 1 1090 . 1 . 1 131 131 VAL HG23 H 1 0.876 0.015 . . . . . . . 131 VAL HG2 . 50166 1 1091 . 1 . 1 131 131 VAL C C 13 175.561 0.023 . . . . . . . 131 VAL CO . 50166 1 1092 . 1 . 1 131 131 VAL CA C 13 59.431 0.106 . . . . . . . 131 VAL CA . 50166 1 1093 . 1 . 1 131 131 VAL CB C 13 34.694 0.205 . . . . . . . 131 VAL CB . 50166 1 1094 . 1 . 1 131 131 VAL CG1 C 13 21.555 0.012 . . . . . . . 131 VAL CG1 . 50166 1 1095 . 1 . 1 131 131 VAL CG2 C 13 19.834 0.066 . . . . . . . 131 VAL CG2 . 50166 1 1096 . 1 . 1 131 131 VAL N N 15 114.562 0.071 . . . . . . . 131 VAL N . 50166 1 1097 . 1 . 1 132 132 LEU H H 1 8.035 0.005 . . . . . . . 132 LEU H . 50166 1 1098 . 1 . 1 132 132 LEU C C 13 177.350 0.000 . . . . . . . 132 LEU CO . 50166 1 1099 . 1 . 1 132 132 LEU CA C 13 56.870 0.069 . . . . . . . 132 LEU CA . 50166 1 1100 . 1 . 1 132 132 LEU CB C 13 42.675 0.000 . . . . . . . 132 LEU CB . 50166 1 1101 . 1 . 1 132 132 LEU N N 15 122.151 0.058 . . . . . . . 132 LEU N . 50166 1 1102 . 1 . 1 133 133 GLY HA2 H 1 4.278 0.003 . . . . . . . 133 GLY HA2 . 50166 1 1103 . 1 . 1 133 133 GLY C C 13 174.311 0.000 . . . . . . . 133 GLY CO . 50166 1 1104 . 1 . 1 133 133 GLY CA C 13 45.344 0.058 . . . . . . . 133 GLY CA . 50166 1 1105 . 1 . 1 134 134 ASP H H 1 8.288 0.008 . . . . . . . 134 ASP H . 50166 1 1106 . 1 . 1 134 134 ASP HA H 1 4.922 0.010 . . . . . . . 134 ASP HA . 50166 1 1107 . 1 . 1 134 134 ASP HB2 H 1 2.905 0.018 . . . . . . . 134 ASP HB2 . 50166 1 1108 . 1 . 1 134 134 ASP HB3 H 1 2.700 0.011 . . . . . . . 134 ASP HB3 . 50166 1 1109 . 1 . 1 134 134 ASP C C 13 174.852 0.002 . . . . . . . 134 ASP CO . 50166 1 1110 . 1 . 1 134 134 ASP CA C 13 54.848 0.054 . . . . . . . 134 ASP CA . 50166 1 1111 . 1 . 1 134 134 ASP CB C 13 41.625 0.064 . . . . . . . 134 ASP CB . 50166 1 1112 . 1 . 1 134 134 ASP N N 15 121.292 0.070 . . . . . . . 134 ASP N . 50166 1 1113 . 1 . 1 135 135 TYR H H 1 8.559 0.005 . . . . . . . 135 TYR H . 50166 1 1114 . 1 . 1 135 135 TYR HA H 1 4.426 0.016 . . . . . . . 135 TYR HA . 50166 1 1115 . 1 . 1 135 135 TYR HB2 H 1 2.861 0.016 . . . . . . . 135 TYR HB2 . 50166 1 1116 . 1 . 1 135 135 TYR HB3 H 1 2.662 0.013 . . . . . . . 135 TYR HB3 . 50166 1 1117 . 1 . 1 135 135 TYR HD1 H 1 6.937 0.013 . . . . . . . 135 TYR HD1 . 50166 1 1118 . 1 . 1 135 135 TYR C C 13 173.148 0.008 . . . . . . . 135 TYR CO . 50166 1 1119 . 1 . 1 135 135 TYR CA C 13 55.835 0.094 . . . . . . . 135 TYR CA . 50166 1 1120 . 1 . 1 135 135 TYR CB C 13 43.356 0.101 . . . . . . . 135 TYR CB . 50166 1 1121 . 1 . 1 135 135 TYR N N 15 114.432 0.049 . . . . . . . 135 TYR N . 50166 1 1122 . 1 . 1 136 136 PHE H H 1 8.447 0.008 . . . . . . . 136 PHE H . 50166 1 1123 . 1 . 1 136 136 PHE HA H 1 5.000 0.011 . . . . . . . 136 PHE HA . 50166 1 1124 . 1 . 1 136 136 PHE HB2 H 1 3.066 0.016 . . . . . . . 136 PHE HB2 . 50166 1 1125 . 1 . 1 136 136 PHE HB3 H 1 2.959 0.007 . . . . . . . 136 PHE HB3 . 50166 1 1126 . 1 . 1 136 136 PHE HD1 H 1 6.633 0.014 . . . . . . . 136 PHE HD1 . 50166 1 1127 . 1 . 1 136 136 PHE C C 13 172.419 0.001 . . . . . . . 136 PHE CO . 50166 1 1128 . 1 . 1 136 136 PHE CA C 13 54.756 0.067 . . . . . . . 136 PHE CA . 50166 1 1129 . 1 . 1 136 136 PHE CB C 13 41.914 0.145 . . . . . . . 136 PHE CB . 50166 1 1130 . 1 . 1 136 136 PHE N N 15 114.525 0.081 . . . . . . . 136 PHE N . 50166 1 1131 . 1 . 1 137 137 GLU H H 1 8.944 0.006 . . . . . . . 137 GLU H . 50166 1 1132 . 1 . 1 137 137 GLU HA H 1 5.513 0.012 . . . . . . . 137 GLU HA . 50166 1 1133 . 1 . 1 137 137 GLU HB2 H 1 2.134 0.017 . . . . . . . 137 GLU HB2 . 50166 1 1134 . 1 . 1 137 137 GLU HG2 H 1 2.298 0.005 . . . . . . . 137 GLU HG2 . 50166 1 1135 . 1 . 1 137 137 GLU C C 13 176.263 0.007 . . . . . . . 137 GLU CO . 50166 1 1136 . 1 . 1 137 137 GLU CA C 13 54.903 0.136 . . . . . . . 137 GLU CA . 50166 1 1137 . 1 . 1 137 137 GLU CB C 13 31.566 0.328 . . . . . . . 137 GLU CB . 50166 1 1138 . 1 . 1 137 137 GLU CG C 13 37.007 0.033 . . . . . . . 137 GLU CG . 50166 1 1139 . 1 . 1 137 137 GLU N N 15 122.181 0.065 . . . . . . . 137 GLU N . 50166 1 1140 . 1 . 1 138 138 TRP H H 1 9.150 0.005 . . . . . . . 138 TRP H . 50166 1 1141 . 1 . 1 138 138 TRP HA H 1 4.713 0.011 . . . . . . . 138 TRP HA . 50166 1 1142 . 1 . 1 138 138 TRP HB2 H 1 3.113 0.013 . . . . . . . 138 TRP HB2 . 50166 1 1143 . 1 . 1 138 138 TRP HD1 H 1 7.495 0.018 . . . . . . . 138 TRP HD1 . 50166 1 1144 . 1 . 1 138 138 TRP HE1 H 1 10.136 0.004 . . . . . . . 138 TRP HE1 . 50166 1 1145 . 1 . 1 138 138 TRP C C 13 176.256 0.028 . . . . . . . 138 TRP CO . 50166 1 1146 . 1 . 1 138 138 TRP CA C 13 60.595 0.107 . . . . . . . 138 TRP CA . 50166 1 1147 . 1 . 1 138 138 TRP CB C 13 30.119 0.090 . . . . . . . 138 TRP CB . 50166 1 1148 . 1 . 1 138 138 TRP N N 15 124.978 0.052 . . . . . . . 138 TRP N . 50166 1 1149 . 1 . 1 139 139 HIS H H 1 9.233 0.003 . . . . . . . 139 HIS H . 50166 1 1150 . 1 . 1 139 139 HIS HA H 1 3.707 0.012 . . . . . . . 139 HIS HA . 50166 1 1151 . 1 . 1 139 139 HIS HB2 H 1 3.309 0.013 . . . . . . . 139 HIS HB2 . 50166 1 1152 . 1 . 1 139 139 HIS C C 13 173.774 0.021 . . . . . . . 139 HIS CO . 50166 1 1153 . 1 . 1 139 139 HIS CA C 13 57.004 0.103 . . . . . . . 139 HIS CA . 50166 1 1154 . 1 . 1 139 139 HIS CB C 13 26.347 0.066 . . . . . . . 139 HIS CB . 50166 1 1155 . 1 . 1 139 139 HIS N N 15 126.466 0.112 . . . . . . . 139 HIS N . 50166 1 1156 . 1 . 1 140 140 GLY H H 1 8.821 0.004 . . . . . . . 140 GLY H . 50166 1 1157 . 1 . 1 140 140 GLY HA2 H 1 4.059 0.015 . . . . . . . 140 GLY HA2 . 50166 1 1158 . 1 . 1 140 140 GLY HA3 H 1 3.631 0.010 . . . . . . . 140 GLY HA3 . 50166 1 1159 . 1 . 1 140 140 GLY C C 13 173.169 0.016 . . . . . . . 140 GLY CO . 50166 1 1160 . 1 . 1 140 140 GLY CA C 13 45.739 0.059 . . . . . . . 140 GLY CA . 50166 1 1161 . 1 . 1 140 140 GLY N N 15 102.890 0.074 . . . . . . . 140 GLY N . 50166 1 1162 . 1 . 1 141 141 LEU H H 1 7.458 0.011 . . . . . . . 141 LEU H . 50166 1 1163 . 1 . 1 141 141 LEU HA H 1 4.611 0.012 . . . . . . . 141 LEU HA . 50166 1 1164 . 1 . 1 141 141 LEU HB2 H 1 0.802 0.024 . . . . . . . 141 LEU HB2 . 50166 1 1165 . 1 . 1 141 141 LEU HG H 1 1.447 0.019 . . . . . . . 141 LEU HG . 50166 1 1166 . 1 . 1 141 141 LEU HD11 H 1 0.687 0.015 . . . . . . . 141 LEU HD1 . 50166 1 1167 . 1 . 1 141 141 LEU HD12 H 1 0.687 0.015 . . . . . . . 141 LEU HD1 . 50166 1 1168 . 1 . 1 141 141 LEU HD13 H 1 0.687 0.015 . . . . . . . 141 LEU HD1 . 50166 1 1169 . 1 . 1 141 141 LEU HD21 H 1 -0.226 0.009 . . . . . . . 141 LEU HD2 . 50166 1 1170 . 1 . 1 141 141 LEU HD22 H 1 -0.226 0.009 . . . . . . . 141 LEU HD2 . 50166 1 1171 . 1 . 1 141 141 LEU HD23 H 1 -0.226 0.009 . . . . . . . 141 LEU HD2 . 50166 1 1172 . 1 . 1 141 141 LEU C C 13 174.794 0.007 . . . . . . . 141 LEU CO . 50166 1 1173 . 1 . 1 141 141 LEU CA C 13 53.009 0.085 . . . . . . . 141 LEU CA . 50166 1 1174 . 1 . 1 141 141 LEU CB C 13 45.023 0.315 . . . . . . . 141 LEU CB . 50166 1 1175 . 1 . 1 141 141 LEU CG C 13 26.863 0.002 . . . . . . . 141 LEU CG . 50166 1 1176 . 1 . 1 141 141 LEU CD1 C 13 23.933 0.139 . . . . . . . 141 LEU CD . 50166 1 1177 . 1 . 1 141 141 LEU CD2 C 13 23.933 0.139 . . . . . . . 141 LEU CD . 50166 1 1178 . 1 . 1 141 141 LEU N N 15 120.962 0.034 . . . . . . . 141 LEU N . 50166 1 1179 . 1 . 1 142 142 GLN H H 1 8.056 0.007 . . . . . . . 142 GLN H . 50166 1 1180 . 1 . 1 142 142 GLN HA H 1 4.935 0.014 . . . . . . . 142 GLN HA . 50166 1 1181 . 1 . 1 142 142 GLN HB2 H 1 1.627 0.004 . . . . . . . 142 GLN HB2 . 50166 1 1182 . 1 . 1 142 142 GLN HB3 H 1 1.397 0.007 . . . . . . . 142 GLN HB3 . 50166 1 1183 . 1 . 1 142 142 GLN HG2 H 1 2.207 0.012 . . . . . . . 142 GLN HG2 . 50166 1 1184 . 1 . 1 142 142 GLN HG3 H 1 1.966 0.009 . . . . . . . 142 GLN HG3 . 50166 1 1185 . 1 . 1 142 142 GLN C C 13 173.164 0.008 . . . . . . . 142 GLN CO . 50166 1 1186 . 1 . 1 142 142 GLN CA C 13 54.492 0.086 . . . . . . . 142 GLN CA . 50166 1 1187 . 1 . 1 142 142 GLN CB C 13 29.123 0.051 . . . . . . . 142 GLN CB . 50166 1 1188 . 1 . 1 142 142 GLN CG C 13 33.745 0.000 . . . . . . . 142 GLN CG . 50166 1 1189 . 1 . 1 142 142 GLN N N 15 117.652 0.060 . . . . . . . 142 GLN N . 50166 1 1190 . 1 . 1 143 143 TRP H H 1 8.494 0.008 . . . . . . . 143 TRP H . 50166 1 1191 . 1 . 1 143 143 TRP HA H 1 4.592 0.008 . . . . . . . 143 TRP HA . 50166 1 1192 . 1 . 1 143 143 TRP HB2 H 1 2.147 0.010 . . . . . . . 143 TRP HB2 . 50166 1 1193 . 1 . 1 143 143 TRP HD1 H 1 6.933 0.015 . . . . . . . 143 TRP HD1 . 50166 1 1194 . 1 . 1 143 143 TRP HE1 H 1 10.044 0.000 . . . . . . . 143 TRP HE1 . 50166 1 1195 . 1 . 1 143 143 TRP C C 13 175.183 0.026 . . . . . . . 143 TRP CO . 50166 1 1196 . 1 . 1 143 143 TRP CA C 13 55.235 0.081 . . . . . . . 143 TRP CA . 50166 1 1197 . 1 . 1 143 143 TRP CB C 13 28.423 0.081 . . . . . . . 143 TRP CB . 50166 1 1198 . 1 . 1 143 143 TRP N N 15 126.179 0.048 . . . . . . . 143 TRP N . 50166 1 1199 . 1 . 1 144 144 VAL H H 1 9.335 0.006 . . . . . . . 144 VAL H . 50166 1 1200 . 1 . 1 144 144 VAL HA H 1 4.695 0.010 . . . . . . . 144 VAL HA . 50166 1 1201 . 1 . 1 144 144 VAL HB H 1 1.903 0.018 . . . . . . . 144 VAL HB . 50166 1 1202 . 1 . 1 144 144 VAL HG11 H 1 0.809 0.001 . . . . . . . 144 VAL HG1 . 50166 1 1203 . 1 . 1 144 144 VAL HG12 H 1 0.809 0.001 . . . . . . . 144 VAL HG1 . 50166 1 1204 . 1 . 1 144 144 VAL HG13 H 1 0.809 0.001 . . . . . . . 144 VAL HG1 . 50166 1 1205 . 1 . 1 144 144 VAL HG21 H 1 0.533 0.013 . . . . . . . 144 VAL HG2 . 50166 1 1206 . 1 . 1 144 144 VAL HG22 H 1 0.533 0.013 . . . . . . . 144 VAL HG2 . 50166 1 1207 . 1 . 1 144 144 VAL HG23 H 1 0.533 0.013 . . . . . . . 144 VAL HG2 . 50166 1 1208 . 1 . 1 144 144 VAL C C 13 176.973 0.011 . . . . . . . 144 VAL CO . 50166 1 1209 . 1 . 1 144 144 VAL CA C 13 60.161 0.041 . . . . . . . 144 VAL CA . 50166 1 1210 . 1 . 1 144 144 VAL CB C 13 35.153 0.189 . . . . . . . 144 VAL CB . 50166 1 1211 . 1 . 1 144 144 VAL CG1 C 13 20.784 0.143 . . . . . . . 144 VAL CG1 . 50166 1 1212 . 1 . 1 144 144 VAL N N 15 122.151 0.065 . . . . . . . 144 VAL N . 50166 1 1213 . 1 . 1 145 145 VAL H H 1 9.355 0.006 . . . . . . . 145 VAL H . 50166 1 1214 . 1 . 1 145 145 VAL HA H 1 3.778 0.014 . . . . . . . 145 VAL HA . 50166 1 1215 . 1 . 1 145 145 VAL HB H 1 2.398 0.012 . . . . . . . 145 VAL HB . 50166 1 1216 . 1 . 1 145 145 VAL HG11 H 1 0.884 0.005 . . . . . . . 145 VAL HG1 . 50166 1 1217 . 1 . 1 145 145 VAL HG12 H 1 0.884 0.005 . . . . . . . 145 VAL HG1 . 50166 1 1218 . 1 . 1 145 145 VAL HG13 H 1 0.884 0.005 . . . . . . . 145 VAL HG1 . 50166 1 1219 . 1 . 1 145 145 VAL C C 13 174.659 0.006 . . . . . . . 145 VAL CO . 50166 1 1220 . 1 . 1 145 145 VAL CA C 13 65.160 0.139 . . . . . . . 145 VAL CA . 50166 1 1221 . 1 . 1 145 145 VAL CB C 13 31.285 0.127 . . . . . . . 145 VAL CB . 50166 1 1222 . 1 . 1 145 145 VAL N N 15 126.864 0.095 . . . . . . . 145 VAL N . 50166 1 1223 . 1 . 1 146 146 ALA H H 1 8.234 0.007 . . . . . . . 146 ALA H . 50166 1 1224 . 1 . 1 146 146 ALA HA H 1 4.192 0.008 . . . . . . . 146 ALA HA . 50166 1 1225 . 1 . 1 146 146 ALA HB1 H 1 0.910 0.006 . . . . . . . 146 ALA HB . 50166 1 1226 . 1 . 1 146 146 ALA HB2 H 1 0.910 0.006 . . . . . . . 146 ALA HB . 50166 1 1227 . 1 . 1 146 146 ALA HB3 H 1 0.910 0.006 . . . . . . . 146 ALA HB . 50166 1 1228 . 1 . 1 146 146 ALA C C 13 175.265 0.000 . . . . . . . 146 ALA CO . 50166 1 1229 . 1 . 1 146 146 ALA CA C 13 51.786 0.078 . . . . . . . 146 ALA CA . 50166 1 1230 . 1 . 1 146 146 ALA CB C 13 20.857 0.123 . . . . . . . 146 ALA CB . 50166 1 1231 . 1 . 1 146 146 ALA N N 15 133.515 0.047 . . . . . . . 146 ALA N . 50166 1 1232 . 1 . 1 147 147 ASP H H 1 7.299 0.011 . . . . . . . 147 ASP H . 50166 1 1233 . 1 . 1 147 147 ASP HA H 1 4.546 0.015 . . . . . . . 147 ASP HA . 50166 1 1234 . 1 . 1 147 147 ASP HB2 H 1 2.507 0.009 . . . . . . . 147 ASP HB2 . 50166 1 1235 . 1 . 1 147 147 ASP HB3 H 1 2.322 0.015 . . . . . . . 147 ASP HB3 . 50166 1 1236 . 1 . 1 147 147 ASP C C 13 174.375 0.017 . . . . . . . 147 ASP CO . 50166 1 1237 . 1 . 1 147 147 ASP CA C 13 55.566 0.108 . . . . . . . 147 ASP CA . 50166 1 1238 . 1 . 1 147 147 ASP CB C 13 42.784 0.111 . . . . . . . 147 ASP CB . 50166 1 1239 . 1 . 1 147 147 ASP N N 15 114.216 0.060 . . . . . . . 147 ASP N . 50166 1 1240 . 1 . 1 148 148 VAL H H 1 7.950 0.007 . . . . . . . 148 VAL H . 50166 1 1241 . 1 . 1 148 148 VAL HA H 1 4.728 0.008 . . . . . . . 148 VAL HA . 50166 1 1242 . 1 . 1 148 148 VAL HB H 1 1.672 0.013 . . . . . . . 148 VAL HB . 50166 1 1243 . 1 . 1 148 148 VAL HG11 H 1 0.604 0.008 . . . . . . . 148 VAL HG1 . 50166 1 1244 . 1 . 1 148 148 VAL HG12 H 1 0.604 0.008 . . . . . . . 148 VAL HG1 . 50166 1 1245 . 1 . 1 148 148 VAL HG13 H 1 0.604 0.008 . . . . . . . 148 VAL HG1 . 50166 1 1246 . 1 . 1 148 148 VAL C C 13 174.252 0.002 . . . . . . . 148 VAL CO . 50166 1 1247 . 1 . 1 148 148 VAL CA C 13 60.429 0.112 . . . . . . . 148 VAL CA . 50166 1 1248 . 1 . 1 148 148 VAL CB C 13 35.438 0.342 . . . . . . . 148 VAL CB . 50166 1 1249 . 1 . 1 148 148 VAL CG1 C 13 20.693 0.107 . . . . . . . 148 VAL CG1 . 50166 1 1250 . 1 . 1 148 148 VAL N N 15 124.495 0.090 . . . . . . . 148 VAL N . 50166 1 1251 . 1 . 1 149 149 VAL H H 1 8.725 0.005 . . . . . . . 149 VAL H . 50166 1 1252 . 1 . 1 149 149 VAL HA H 1 4.052 0.009 . . . . . . . 149 VAL HA . 50166 1 1253 . 1 . 1 149 149 VAL HB H 1 1.749 0.009 . . . . . . . 149 VAL HB . 50166 1 1254 . 1 . 1 149 149 VAL HG11 H 1 0.812 0.012 . . . . . . . 149 VAL HG1 . 50166 1 1255 . 1 . 1 149 149 VAL HG12 H 1 0.812 0.012 . . . . . . . 149 VAL HG1 . 50166 1 1256 . 1 . 1 149 149 VAL HG13 H 1 0.812 0.012 . . . . . . . 149 VAL HG1 . 50166 1 1257 . 1 . 1 149 149 VAL C C 13 176.228 0.005 . . . . . . . 149 VAL CO . 50166 1 1258 . 1 . 1 149 149 VAL CA C 13 61.666 0.137 . . . . . . . 149 VAL CA . 50166 1 1259 . 1 . 1 149 149 VAL CB C 13 34.262 0.106 . . . . . . . 149 VAL CB . 50166 1 1260 . 1 . 1 149 149 VAL CG1 C 13 21.356 0.120 . . . . . . . 149 VAL CG1 . 50166 1 1261 . 1 . 1 149 149 VAL N N 15 126.730 0.056 . . . . . . . 149 VAL N . 50166 1 1262 . 1 . 1 150 150 ASP H H 1 9.170 0.005 . . . . . . . 150 ASP H . 50166 1 1263 . 1 . 1 150 150 ASP HA H 1 3.884 0.009 . . . . . . . 150 ASP HA . 50166 1 1264 . 1 . 1 150 150 ASP HB2 H 1 2.851 0.014 . . . . . . . 150 ASP HB2 . 50166 1 1265 . 1 . 1 150 150 ASP HB3 H 1 2.542 0.007 . . . . . . . 150 ASP HB3 . 50166 1 1266 . 1 . 1 150 150 ASP C C 13 174.852 0.002 . . . . . . . 150 ASP CO . 50166 1 1267 . 1 . 1 150 150 ASP CA C 13 55.928 0.118 . . . . . . . 150 ASP CA . 50166 1 1268 . 1 . 1 150 150 ASP CB C 13 39.233 0.070 . . . . . . . 150 ASP CB . 50166 1 1269 . 1 . 1 150 150 ASP N N 15 130.264 0.032 . . . . . . . 150 ASP N . 50166 1 1270 . 1 . 1 151 151 TRP H H 1 7.936 0.007 . . . . . . . 151 TRP H . 50166 1 1271 . 1 . 1 151 151 TRP HA H 1 3.891 0.010 . . . . . . . 151 TRP HA . 50166 1 1272 . 1 . 1 151 151 TRP HB2 H 1 3.532 0.015 . . . . . . . 151 TRP HB2 . 50166 1 1273 . 1 . 1 151 151 TRP HD1 H 1 7.138 0.014 . . . . . . . 151 TRP HD1 . 50166 1 1274 . 1 . 1 151 151 TRP HE1 H 1 9.906 0.000 . . . . . . . 151 TRP HE1 . 50166 1 1275 . 1 . 1 151 151 TRP C C 13 174.632 0.009 . . . . . . . 151 TRP CO . 50166 1 1276 . 1 . 1 151 151 TRP CA C 13 59.148 0.088 . . . . . . . 151 TRP CA . 50166 1 1277 . 1 . 1 151 151 TRP CB C 13 26.881 0.122 . . . . . . . 151 TRP CB . 50166 1 1278 . 1 . 1 151 151 TRP N N 15 108.129 0.042 . . . . . . . 151 TRP N . 50166 1 1279 . 1 . 1 152 152 LYS H H 1 7.810 0.010 . . . . . . . 152 LYS H . 50166 1 1280 . 1 . 1 152 152 LYS HA H 1 4.698 0.008 . . . . . . . 152 LYS HA . 50166 1 1281 . 1 . 1 152 152 LYS HB2 H 1 1.776 0.009 . . . . . . . 152 LYS HB2 . 50166 1 1282 . 1 . 1 152 152 LYS HG2 H 1 1.447 0.010 . . . . . . . 152 LYS HG2 . 50166 1 1283 . 1 . 1 152 152 LYS C C 13 175.448 0.028 . . . . . . . 152 LYS CO . 50166 1 1284 . 1 . 1 152 152 LYS CA C 13 54.665 0.166 . . . . . . . 152 LYS CA . 50166 1 1285 . 1 . 1 152 152 LYS CB C 13 33.266 0.563 . . . . . . . 152 LYS CB . 50166 1 1286 . 1 . 1 152 152 LYS CG C 13 24.521 0.071 . . . . . . . 152 LYS CG . 50166 1 1287 . 1 . 1 152 152 LYS CD C 13 28.989 0.000 . . . . . . . 152 LYS CD . 50166 1 1288 . 1 . 1 152 152 LYS N N 15 120.719 0.094 . . . . . . . 152 LYS N . 50166 1 1289 . 1 . 1 153 153 VAL H H 1 8.510 0.006 . . . . . . . 153 VAL H . 50166 1 1290 . 1 . 1 153 153 VAL HA H 1 4.079 0.014 . . . . . . . 153 VAL HA . 50166 1 1291 . 1 . 1 153 153 VAL HB H 1 1.976 0.012 . . . . . . . 153 VAL HB . 50166 1 1292 . 1 . 1 153 153 VAL HG11 H 1 1.079 0.011 . . . . . . . 153 VAL HG1 . 50166 1 1293 . 1 . 1 153 153 VAL HG12 H 1 1.079 0.011 . . . . . . . 153 VAL HG1 . 50166 1 1294 . 1 . 1 153 153 VAL HG13 H 1 1.079 0.011 . . . . . . . 153 VAL HG1 . 50166 1 1295 . 1 . 1 153 153 VAL HG21 H 1 0.632 0.007 . . . . . . . 153 VAL HG2 . 50166 1 1296 . 1 . 1 153 153 VAL HG22 H 1 0.632 0.007 . . . . . . . 153 VAL HG2 . 50166 1 1297 . 1 . 1 153 153 VAL HG23 H 1 0.632 0.007 . . . . . . . 153 VAL HG2 . 50166 1 1298 . 1 . 1 153 153 VAL C C 13 176.553 0.011 . . . . . . . 153 VAL CO . 50166 1 1299 . 1 . 1 153 153 VAL CA C 13 63.540 0.059 . . . . . . . 153 VAL CA . 50166 1 1300 . 1 . 1 153 153 VAL CB C 13 32.063 0.099 . . . . . . . 153 VAL CB . 50166 1 1301 . 1 . 1 153 153 VAL CG1 C 13 23.863 0.012 . . . . . . . 153 VAL CG1 . 50166 1 1302 . 1 . 1 153 153 VAL CG2 C 13 22.844 0.000 . . . . . . . 153 VAL CG2 . 50166 1 1303 . 1 . 1 153 153 VAL N N 15 123.854 0.091 . . . . . . . 153 VAL N . 50166 1 1304 . 1 . 1 154 154 THR H H 1 8.375 0.009 . . . . . . . 154 THR H . 50166 1 1305 . 1 . 1 154 154 THR HA H 1 4.613 0.012 . . . . . . . 154 THR HA . 50166 1 1306 . 1 . 1 154 154 THR HB H 1 4.161 0.024 . . . . . . . 154 THR HB . 50166 1 1307 . 1 . 1 154 154 THR HG21 H 1 1.087 0.017 . . . . . . . 154 THR HG1 . 50166 1 1308 . 1 . 1 154 154 THR HG22 H 1 1.087 0.017 . . . . . . . 154 THR HG1 . 50166 1 1309 . 1 . 1 154 154 THR HG23 H 1 1.087 0.017 . . . . . . . 154 THR HG1 . 50166 1 1310 . 1 . 1 154 154 THR C C 13 176.438 0.010 . . . . . . . 154 THR CO . 50166 1 1311 . 1 . 1 154 154 THR CA C 13 61.648 0.139 . . . . . . . 154 THR CA . 50166 1 1312 . 1 . 1 154 154 THR CB C 13 69.479 0.089 . . . . . . . 154 THR CB . 50166 1 1313 . 1 . 1 154 154 THR CG2 C 13 23.197 0.061 . . . . . . . 154 THR CG . 50166 1 1314 . 1 . 1 154 154 THR N N 15 114.674 0.069 . . . . . . . 154 THR N . 50166 1 1315 . 1 . 1 155 155 LYS H H 1 7.228 0.010 . . . . . . . 155 LYS H . 50166 1 1316 . 1 . 1 155 155 LYS HA H 1 5.279 0.012 . . . . . . . 155 LYS HA . 50166 1 1317 . 1 . 1 155 155 LYS HB2 H 1 1.353 0.017 . . . . . . . 155 LYS HB2 . 50166 1 1318 . 1 . 1 155 155 LYS HG2 H 1 1.520 0.004 . . . . . . . 155 LYS HG2 . 50166 1 1319 . 1 . 1 155 155 LYS C C 13 174.368 0.001 . . . . . . . 155 LYS CO . 50166 1 1320 . 1 . 1 155 155 LYS CA C 13 54.835 0.220 . . . . . . . 155 LYS CA . 50166 1 1321 . 1 . 1 155 155 LYS CB C 13 37.680 0.170 . . . . . . . 155 LYS CB . 50166 1 1322 . 1 . 1 155 155 LYS CG C 13 24.387 0.000 . . . . . . . 155 LYS CG . 50166 1 1323 . 1 . 1 155 155 LYS N N 15 121.590 0.120 . . . . . . . 155 LYS N . 50166 1 1324 . 1 . 1 156 156 ILE H H 1 9.052 0.007 . . . . . . . 156 ILE H . 50166 1 1325 . 1 . 1 156 156 ILE HA H 1 5.239 0.005 . . . . . . . 156 ILE HA . 50166 1 1326 . 1 . 1 156 156 ILE HB H 1 1.971 0.006 . . . . . . . 156 ILE HB . 50166 1 1327 . 1 . 1 156 156 ILE HG12 H 1 0.928 0.007 . . . . . . . 156 ILE HG12 . 50166 1 1328 . 1 . 1 156 156 ILE C C 13 174.846 0.000 . . . . . . . 156 ILE CO . 50166 1 1329 . 1 . 1 156 156 ILE CA C 13 55.595 0.071 . . . . . . . 156 ILE CA . 50166 1 1330 . 1 . 1 156 156 ILE CB C 13 40.065 0.000 . . . . . . . 156 ILE CB . 50166 1 1331 . 1 . 1 156 156 ILE N N 15 124.474 0.061 . . . . . . . 156 ILE N . 50166 1 1332 . 1 . 1 157 157 GLY HA2 H 1 4.358 0.003 . . . . . . . 157 GLY HA2 . 50166 1 1333 . 1 . 1 157 157 GLY HA3 H 1 3.557 0.003 . . . . . . . 157 GLY HA3 . 50166 1 1334 . 1 . 1 157 157 GLY C C 13 174.472 0.000 . . . . . . . 157 GLY CO . 50166 1 1335 . 1 . 1 157 157 GLY CA C 13 45.091 0.000 . . . . . . . 157 GLY CA . 50166 1 1336 . 1 . 1 158 158 LEU H H 1 7.944 0.006 . . . . . . . 158 LEU H . 50166 1 1337 . 1 . 1 158 158 LEU HA H 1 4.714 0.001 . . . . . . . 158 LEU HA . 50166 1 1338 . 1 . 1 158 158 LEU HB2 H 1 2.263 0.000 . . . . . . . 158 LEU HB2 . 50166 1 1339 . 1 . 1 158 158 LEU C C 13 175.586 0.000 . . . . . . . 158 LEU CO . 50166 1 1340 . 1 . 1 158 158 LEU CA C 13 53.877 1.901 . . . . . . . 158 LEU CA . 50166 1 1341 . 1 . 1 158 158 LEU N N 15 122.904 0.063 . . . . . . . 158 LEU N . 50166 1 1342 . 1 . 1 161 161 ASN HA H 1 4.280 0.001 . . . . . . . 161 ASN HA . 50166 1 1343 . 1 . 1 161 161 ASN HB2 H 1 2.554 0.001 . . . . . . . 161 ASN HB2 . 50166 1 1344 . 1 . 1 161 161 ASN C C 13 174.110 0.029 . . . . . . . 161 ASN CO . 50166 1 1345 . 1 . 1 161 161 ASN CA C 13 56.511 0.080 . . . . . . . 161 ASN CA . 50166 1 1346 . 1 . 1 161 161 ASN CB C 13 39.334 0.181 . . . . . . . 161 ASN CB . 50166 1 1347 . 1 . 1 162 162 LEU H H 1 7.955 0.005 . . . . . . . 162 LEU H . 50166 1 1348 . 1 . 1 162 162 LEU HA H 1 4.117 0.010 . . . . . . . 162 LEU HA . 50166 1 1349 . 1 . 1 162 162 LEU HB2 H 1 1.233 0.007 . . . . . . . 162 LEU HB2 . 50166 1 1350 . 1 . 1 162 162 LEU HD11 H 1 0.663 0.008 . . . . . . . 162 LEU HD1 . 50166 1 1351 . 1 . 1 162 162 LEU HD12 H 1 0.663 0.008 . . . . . . . 162 LEU HD1 . 50166 1 1352 . 1 . 1 162 162 LEU HD13 H 1 0.663 0.008 . . . . . . . 162 LEU HD1 . 50166 1 1353 . 1 . 1 162 162 LEU HD21 H 1 0.524 0.004 . . . . . . . 162 LEU HD2 . 50166 1 1354 . 1 . 1 162 162 LEU HD22 H 1 0.524 0.004 . . . . . . . 162 LEU HD2 . 50166 1 1355 . 1 . 1 162 162 LEU HD23 H 1 0.524 0.004 . . . . . . . 162 LEU HD2 . 50166 1 1356 . 1 . 1 162 162 LEU C C 13 175.908 0.021 . . . . . . . 162 LEU CO . 50166 1 1357 . 1 . 1 162 162 LEU CA C 13 54.527 0.066 . . . . . . . 162 LEU CA . 50166 1 1358 . 1 . 1 162 162 LEU CB C 13 42.356 0.119 . . . . . . . 162 LEU CB . 50166 1 1359 . 1 . 1 162 162 LEU CG C 13 24.731 0.000 . . . . . . . 162 LEU CG . 50166 1 1360 . 1 . 1 162 162 LEU CD1 C 13 19.606 0.000 . . . . . . . 162 LEU CD . 50166 1 1361 . 1 . 1 162 162 LEU CD2 C 13 19.606 0.000 . . . . . . . 162 LEU CD . 50166 1 1362 . 1 . 1 162 162 LEU N N 15 121.057 0.017 . . . . . . . 162 LEU N . 50166 1 1363 . 1 . 1 163 163 TYR H H 1 7.866 0.007 . . . . . . . 163 TYR H . 50166 1 1364 . 1 . 1 163 163 TYR HA H 1 4.651 0.003 . . . . . . . 163 TYR HA . 50166 1 1365 . 1 . 1 163 163 TYR HB2 H 1 2.830 0.009 . . . . . . . 163 TYR HB2 . 50166 1 1366 . 1 . 1 163 163 TYR HB3 H 1 2.682 0.012 . . . . . . . 163 TYR HB3 . 50166 1 1367 . 1 . 1 163 163 TYR HD1 H 1 6.866 0.004 . . . . . . . 163 TYR HD1 . 50166 1 1368 . 1 . 1 163 163 TYR HE2 H 1 6.651 0.004 . . . . . . . 163 TYR HE2 . 50166 1 1369 . 1 . 1 163 163 TYR C C 13 174.968 0.006 . . . . . . . 163 TYR CO . 50166 1 1370 . 1 . 1 163 163 TYR CA C 13 57.858 0.047 . . . . . . . 163 TYR CA . 50166 1 1371 . 1 . 1 163 163 TYR CB C 13 39.176 0.041 . . . . . . . 163 TYR CB . 50166 1 1372 . 1 . 1 163 163 TYR N N 15 120.495 0.063 . . . . . . . 163 TYR N . 50166 1 1373 . 1 . 1 164 164 PHE H H 1 7.586 0.009 . . . . . . . 164 PHE H . 50166 1 1374 . 1 . 1 164 164 PHE HA H 1 4.311 0.001 . . . . . . . 164 PHE HA . 50166 1 1375 . 1 . 1 164 164 PHE HB2 H 1 2.807 0.004 . . . . . . . 164 PHE HB2 . 50166 1 1376 . 1 . 1 164 164 PHE HB3 H 1 2.543 0.017 . . . . . . . 164 PHE HB3 . 50166 1 1377 . 1 . 1 164 164 PHE HD1 H 1 6.813 0.017 . . . . . . . 164 PHE HD1 . 50166 1 1378 . 1 . 1 164 164 PHE HE1 H 1 6.977 0.000 . . . . . . . 164 PHE HE1 . 50166 1 1379 . 1 . 1 164 164 PHE C C 13 174.175 0.007 . . . . . . . 164 PHE CO . 50166 1 1380 . 1 . 1 164 164 PHE CA C 13 57.233 0.153 . . . . . . . 164 PHE CA . 50166 1 1381 . 1 . 1 164 164 PHE CB C 13 39.402 0.141 . . . . . . . 164 PHE CB . 50166 1 1382 . 1 . 1 164 164 PHE N N 15 120.842 0.032 . . . . . . . 164 PHE N . 50166 1 1383 . 1 . 1 165 165 GLN H H 1 7.568 0.006 . . . . . . . 165 GLN H . 50166 1 1384 . 1 . 1 165 165 GLN HA H 1 4.004 0.003 . . . . . . . 165 GLN HA . 50166 1 1385 . 1 . 1 165 165 GLN HB2 H 1 2.008 0.003 . . . . . . . 165 GLN HB2 . 50166 1 1386 . 1 . 1 165 165 GLN HB3 H 1 1.780 0.009 . . . . . . . 165 GLN HB3 . 50166 1 1387 . 1 . 1 165 165 GLN C C 13 180.015 0.000 . . . . . . . 165 GLN CO . 50166 1 1388 . 1 . 1 165 165 GLN CA C 13 57.079 0.080 . . . . . . . 165 GLN CA . 50166 1 1389 . 1 . 1 165 165 GLN CB C 13 30.806 0.000 . . . . . . . 165 GLN CB . 50166 1 1390 . 1 . 1 165 165 GLN N N 15 125.314 0.072 . . . . . . . 165 GLN N . 50166 1 stop_ save_ ######################### # Spectral peak lists # ######################### save_spectral_peak_list_1_15N_NOESY_HSQC_120ms _Spectral_peak_list.Sf_category spectral_peak_list _Spectral_peak_list.Sf_framecode spectral_peak_list_1_15N_NOESY_HSQC_120ms _Spectral_peak_list.Entry_ID 50166 _Spectral_peak_list.ID 1 _Spectral_peak_list.Name '15N NOESY HSQC 120ms' _Spectral_peak_list.Sample_ID 1 _Spectral_peak_list.Sample_label $sample_1_P2MIN _Spectral_peak_list.Sample_condition_list_ID 1 _Spectral_peak_list.Sample_condition_list_label $sample_conditions_1_P2MIN_15N_labelled _Spectral_peak_list.Chem_shift_reference_ID . _Spectral_peak_list.Chem_shift_reference_label . _Spectral_peak_list.Experiment_ID 11 _Spectral_peak_list.Experiment_name '3D 1H-15N NOESY' _Spectral_peak_list.Experiment_class . _Spectral_peak_list.Experiment_type . _Spectral_peak_list.Number_of_spectral_dimensions 3 _Spectral_peak_list.Chemical_shift_list . _Spectral_peak_list.Assigned_chem_shift_list_ID 1 _Spectral_peak_list.Assigned_chem_shift_list_label $assigned_chemical_shifts_1_P2MIN_Assigned_Chemical_Shifts _Spectral_peak_list.Details . _Spectral_peak_list.Text_data_format text _Spectral_peak_list.Text_data ; Assignment w1 w2 w3 Data Height ?-?-? 9.275 123.791 9.258 224489 ?-?-? 1.901 123.424 7.932 154038 ?-?-? 7.854 110.278 7.861 170216 ?-?-? 8.229 126.158 8.226 507678 ?-?-? 1.927 125.888 8.234 162347 ?-?-? 3.913 121.128 7.737 239721 ?-?-? 2.430 120.917 8.309 37258 ?-?-? 1.345 118.107 6.763 112494 ?-?-? 4.608 117.872 8.053 63039 ?-?-? 7.805 128.322 9.106 27572 ?-?-? 1.465 122.520 8.693 132952 ?-?-? 4.965 116.608 8.703 31363 ?-?-? 2.808 120.894 8.356 37579 ?-?-? 3.750 120.700 8.410 63425 ?-?-? 4.307 121.733 7.853 126587 ?-?-? 2.725 121.758 9.095 36304 ?-?-? 2.439 117.770 9.698 26040 ?-?-? 3.869 119.895 8.066 85768 ?-?-? 2.799 124.136 8.184 59443 ?-?-? 1.611 106.388 8.055 53907 ?-?-? 3.892 125.545 8.217 20212 ?-?-? 1.936 114.586 8.338 72310 ?-?-? 1.334 118.367 6.762 46349 ?-?-? 6.924 118.106 8.071 92997 ?-?-? 3.087 110.387 8.611 6414 ?-?-? 2.654 114.540 8.442 125721 ?-?-? 0.904 122.363 8.945 47726 ?-?-? 3.642 102.981 8.820 462035 ?-?-? 2.957 126.272 8.492 26536 ?-?-? 4.046 130.330 9.168 369775 ?-?-? 3.725 120.805 7.888 28776 ?-?-? 2.545 125.493 7.561 42483 ?-?-? 8.685 122.503 8.683 381782 ?-?-? 2.207 125.678 8.233 59233 ?-?-? 4.325 120.814 7.730 50128 ?-?-? 7.730 117.719 7.595 392793 ?-?-? 8.561 117.719 7.595 38445 ?-?-? 4.325 117.748 7.598 53721 ?-?-? 8.499 109.990 8.499 173461 ?-?-? 2.520 109.990 8.503 24315 ?-?-? 0.918 122.503 8.683 63584 ?-?-? 0.750 122.503 8.683 62797 ?-?-? 3.848 118.286 8.071 95571 ?-?-? 4.613 102.891 8.819 65610 ?-?-? 2.150 102.891 8.823 64924 ?-?-? 3.824 113.770 8.115 117729 ?-?-? 2.855 109.990 8.502 56214 ?-?-? 4.006 116.652 8.267 294355 ?-?-? 2.033 122.503 8.678 32860 ?-?-? 7.199 122.501 8.429 35325 ?-?-? 10.134 120.928 7.889 27254 ?-?-? 0.798 121.399 7.717 101837 ?-?-? 7.131 126.527 9.048 20332 ?-?-? 7.403 126.540 9.046 23165 ?-?-? 0.631 126.527 9.046 25182 ?-?-? 2.698 114.977 8.262 42848 ?-?-? 2.052 114.977 8.262 255134 ?-?-? 7.389 115.783 8.414 122515 ?-?-? 7.303 115.783 8.414 118550 ?-?-? 8.068 120.195 8.067 417413 ?-?-? 7.609 120.195 8.069 48947 ?-?-? 4.524 120.195 8.069 41579 ?-?-? 3.972 120.195 8.069 120851 ?-?-? 1.528 120.195 8.069 66789 ?-?-? 1.259 120.195 8.072 180041 ?-?-? 7.616 115.453 7.623 221186 ?-?-? 1.254 115.412 7.624 81461 ?-?-? 7.533 118.462 7.532 102027 ?-?-? 7.966 118.462 7.532 29669 ?-?-? 7.972 115.411 7.968 93787 ?-?-? 7.518 115.301 7.966 28994 ?-?-? 4.070 115.404 7.622 100332 ?-?-? 4.092 118.512 7.530 43460 ?-?-? 7.078 115.979 7.080 100494 ?-?-? 7.906 115.929 7.074 35696 ?-?-? 7.924 116.932 7.930 170030 ?-?-? 7.080 116.887 7.930 52895 ?-?-? 2.161 116.887 7.928 62859 ?-?-? 2.810 119.241 8.442 54981 ?-?-? 2.741 123.412 9.694 22979 ?-?-? 1.659 123.412 9.692 26904 ?-?-? 1.353 123.412 9.697 27093 ?-?-? 0.912 123.412 9.694 19212 ?-?-? 4.186 122.869 8.709 25861 ?-?-? 0.824 122.237 7.220 86726 ?-?-? 4.665 121.859 7.855 68788 ?-?-? 2.315 124.546 8.539 57603 ?-?-? 0.900 118.146 6.957 60490 ?-?-? 8.186 121.218 8.542 84297 ?-?-? 1.250 121.218 8.539 144604 ?-?-? 0.795 124.051 8.182 140147 ?-?-? 8.059 121.143 8.382 129560 ?-?-? 3.902 125.803 8.233 46279 ?-?-? 8.342 121.691 7.319 444076 ?-?-? 3.976 121.659 7.318 140832 ?-?-? 1.600 125.084 8.727 137241 ?-?-? 8.524 122.823 6.934 29696 ?-?-? 7.729 121.021 7.734 984855 ?-?-? 8.072 117.696 7.595 50461 ?-?-? 1.316 117.696 7.595 43175 ?-?-? 1.929 110.209 8.605 215258 ?-?-? 4.611 114.577 8.522 446331 ?-?-? 1.749 114.537 8.522 144729 ?-?-? 1.759 122.192 8.033 57867 ?-?-? 0.853 122.192 8.030 195586 ?-?-? 0.954 122.192 8.030 197599 ?-?-? 2.841 121.288 8.283 123429 ?-?-? 2.389 121.274 8.282 94155 ?-?-? 0.881 121.288 8.281 198873 ?-?-? 4.979 122.229 8.939 255293 ?-?-? 3.068 122.212 8.941 181379 ?-?-? 9.342 114.512 8.444 33803 ?-?-? 0.668 102.942 8.817 31378 ?-?-? 0.776 102.942 8.819 40283 ?-?-? 8.826 120.989 7.451 196741 ?-?-? 9.151 120.965 7.451 134305 ?-?-? 4.689 126.844 9.352 56231 ?-?-? 9.178 124.543 7.944 27253 ?-?-? 9.170 126.740 8.721 48420 ?-?-? 9.171 108.202 7.932 96681 ?-?-? 8.507 120.684 7.804 74632 ?-?-? 2.538 120.779 7.800 76458 ?-?-? 4.689 124.502 9.047 47569 ?-?-? 4.310 125.352 7.564 228936 ?-?-? 2.555 125.342 7.566 50365 ?-?-? 1.059 120.684 7.801 83220 ?-?-? 1.460 118.146 6.960 128829 ?-?-? 1.527 118.123 8.145 181580 ?-?-? 1.086 118.163 8.141 318875 ?-?-? 0.624 123.826 8.509 102197 ?-?-? 4.642 115.412 7.622 31889 ?-?-? 1.634 115.412 7.619 87957 ?-?-? 0.922 117.696 7.593 63888 ?-?-? 4.702 131.224 9.050 42950 ?-?-? 4.945 111.081 8.052 95319 ?-?-? 1.108 122.062 7.109 91678 ?-?-? 3.044 122.555 8.427 23405 ?-?-? 0.940 119.689 7.923 45271 ?-?-? 2.607 124.111 9.283 91029 ?-?-? 2.457 122.137 7.510 26643 ?-?-? 4.696 110.638 7.849 99004 ?-?-? 1.995 123.844 8.108 53176 ?-?-? 1.903 121.722 9.057 53347 ?-?-? 1.600 121.722 9.057 45905 ?-?-? 4.510 126.629 9.048 30501 ?-?-? 2.101 114.977 8.264 242370 ?-?-? 9.262 119.215 8.033 76980 ?-?-? 0.756 119.215 8.033 21722 ?-?-? 4.818 120.478 8.417 49881 ?-?-? 1.783 123.097 8.186 206806 ?-?-? 3.841 123.097 8.186 181220 ?-?-? 3.745 115.783 8.414 63027 ?-?-? 4.009 119.411 7.378 41788 ?-?-? 8.072 115.412 7.620 34524 ?-?-? 8.434 119.215 8.433 159582 ?-?-? 4.533 119.215 8.433 64174 ?-?-? 5.215 123.412 9.698 37927 ?-?-? 9.698 123.412 9.698 39209 ?-?-? 4.666 122.237 7.217 231286 ?-?-? 4.644 118.123 8.141 99630 ?-?-? 3.823 123.993 8.181 154794 ?-?-? 1.066 123.993 8.181 79698 ?-?-? 1.492 122.243 8.557 159891 ?-?-? 8.565 114.620 8.337 188158 ?-?-? 7.328 114.620 8.337 267576 ?-?-? 4.605 121.659 7.318 247298 ?-?-? 8.562 121.659 7.318 133070 ?-?-? 9.250 121.659 7.318 113913 ?-?-? 8.734 123.389 9.248 30164 ?-?-? 8.565 123.389 9.248 30243 ?-?-? 7.323 123.389 9.248 45077 ?-?-? 6.774 123.389 9.253 24823 ?-?-? 0.760 125.084 8.727 75008 ?-?-? 1.442 125.084 8.727 165694 ?-?-? 0.760 117.976 6.761 30839 ?-?-? 7.735 122.695 6.934 43793 ?-?-? 2.659 118.383 8.070 31526 ?-?-? 8.069 120.940 7.730 129545 ?-?-? 6.941 120.940 7.730 64373 ?-?-? 6.947 117.696 7.594 85949 ?-?-? 1.754 117.696 7.594 419789 ?-?-? 1.559 117.696 7.594 461159 ?-?-? 4.073 112.288 7.079 109977 ?-?-? 4.591 112.288 7.079 32890 ?-?-? 1.529 108.767 7.691 142135 ?-?-? 1.762 108.767 7.691 130653 ?-?-? 3.851 115.454 8.351 390504 ?-?-? 0.801 115.454 8.351 138456 ?-?-? 8.036 110.209 8.606 25320 ?-?-? 7.693 110.209 8.606 20849 ?-?-? 4.015 110.209 8.606 238467 ?-?-? 1.758 110.209 8.603 92993 ?-?-? 8.036 114.560 8.523 33227 ?-?-? 2.138 114.560 8.523 204863 ?-?-? 4.365 122.192 8.029 313330 ?-?-? 8.557 122.212 8.941 36541 ?-?-? 1.426 122.212 8.941 28964 ?-?-? 8.057 120.971 7.450 37832 ?-?-? 10.132 120.971 7.450 82658 ?-?-? 5.489 120.971 7.450 41341 ?-?-? 10.044 122.204 9.331 27629 ?-?-? 7.302 133.524 8.231 40680 ?-?-? 1.437 114.234 7.291 81462 ?-?-? 8.727 124.543 7.944 43875 ?-?-? 2.502 124.543 7.944 80263 ?-?-? 9.170 130.296 9.170 506279 ?-?-? 8.725 130.296 9.170 28257 ?-?-? 7.939 130.296 9.170 82162 ?-?-? 2.540 108.143 7.931 75374 ?-?-? 2.832 108.143 7.931 91056 ?-?-? 4.693 108.143 7.930 30633 ?-?-? 7.106 108.143 7.932 31234 ?-?-? 3.534 120.684 7.801 101462 ?-?-? 2.833 120.684 7.801 64283 ?-?-? 7.233 114.639 8.368 174951 ?-?-? 8.373 121.607 7.220 222046 ?-?-? 2.499 121.607 7.220 53437 ?-?-? 1.061 124.502 9.048 93235 ?-?-? 1.519 124.502 9.048 133037 ?-?-? 5.286 124.502 9.048 221458 ?-?-? 7.225 124.502 9.048 32511 ?-?-? 2.554 121.077 7.962 43528 ?-?-? 0.737 126.739 8.861 56146 ?-?-? 1.593 119.215 8.033 213700 ?-?-? 0.756 117.633 8.053 48980 ?-?-? 1.426 122.192 8.030 246774 ?-?-? 0.925 115.454 8.350 84702 ?-?-? 0.883 124.502 9.048 111725 ?-?-? 2.656 121.659 7.318 136412 ?-?-? 1.627 115.454 8.351 30766 ?-?-? 1.628 108.767 7.691 146897 ?-?-? 0.803 108.767 7.692 127035 ?-?-? 0.804 117.696 7.597 95884 ?-?-? 2.430 116.395 7.516 74786 ?-?-? 1.778 123.826 8.508 264693 ?-?-? 8.491 120.971 7.451 29073 ?-?-? 3.897 119.215 8.034 94708 ?-?-? 1.108 118.383 8.070 242794 ?-?-? 0.625 114.639 8.365 86063 ?-?-? 1.897 123.192 7.931 108795 ?-?-? 6.620 122.234 8.940 86588 ?-?-? 6.871 110.702 7.580 37661 ?-?-? 6.320 112.288 7.078 21455 ?-?-? 6.337 117.696 7.596 28078 ?-?-? 6.891 119.689 7.923 20521 ?-?-? 4.264 124.700 8.555 243123 ?-?-? 1.938 124.700 8.555 61169 ?-?-? 1.730 118.179 8.143 313716 ?-?-? 1.674 123.844 8.110 74965 ?-?-? 0.912 114.458 8.440 114332 ?-?-? 1.384 114.458 8.440 62013 ?-?-? 0.687 117.633 8.053 53426 ?-?-? 3.880 130.231 9.166 403545 ?-?-? 0.818 108.110 7.931 50898 ?-?-? 4.164 114.639 8.367 126290 ?-?-? 4.612 121.532 7.222 106967 ?-?-? 8.239 124.482 9.047 26916 ?-?-? 4.908 127.965 9.756 127551 ?-?-? 5.303 124.093 9.283 40102 ?-?-? 6.945 120.946 7.453 54845 ?-?-? 0.930 108.734 7.692 126611 ?-?-? 6.815 125.316 7.563 68559 ?-?-? 6.857 125.316 7.563 64025 ?-?-? 1.595 115.818 8.682 22445 ?-?-? 7.596 122.675 6.936 26784 ?-?-? 1.992 122.675 6.936 84734 ?-?-? 0.787 127.807 8.482 45524 ?-?-? 1.378 118.088 8.143 153425 ?-?-? 4.446 110.743 7.581 103332 ?-?-? 2.704 119.715 7.712 27600 ?-?-? 3.002 115.404 7.621 30995 ?-?-? 0.829 122.205 8.558 94789 ?-?-? 0.936 112.262 7.083 87550 ?-?-? 4.703 126.770 8.722 214608 ?-?-? 4.257 124.546 8.537 227122 ?-?-? 6.918 124.932 9.148 124425 ?-?-? 3.030 126.700 8.719 20351 ?-?-? 3.844 119.169 8.034 98647 ?-?-? 0.758 123.195 7.931 187983 ?-?-? 0.662 120.491 7.863 53372 ?-?-? 6.809 120.491 7.863 45898 ?-?-? 3.413 114.502 8.524 39013 ?-?-? 0.918 121.824 7.855 152438 ?-?-? 3.899 121.231 8.541 52043 ?-?-? 0.913 122.174 8.939 43005 ?-?-? 3.663 118.097 6.960 57146 ?-?-? 0.722 110.676 7.580 71270 ?-?-? 2.086 119.169 8.034 100322 ?-?-? 1.784 118.097 6.960 139281 ?-?-? 9.355 121.267 8.280 23273 ?-?-? 3.533 121.267 8.280 51218 ?-?-? 0.535 114.458 8.441 52272 ?-?-? 2.130 114.458 8.441 61105 ?-?-? 3.855 114.459 7.582 32536 ?-?-? 1.162 116.391 7.514 72858 ?-?-? 7.416 120.920 8.997 48357 ?-?-? 2.608 120.920 8.997 23700 ?-?-? 4.693 117.712 8.346 213609 ?-?-? 4.693 122.496 8.424 142047 ?-?-? 4.605 115.848 8.680 26587 ?-?-? 1.313 119.689 7.921 77230 ?-?-? 1.976 118.999 7.992 124963 ?-?-? 1.595 125.431 8.356 56904 ?-?-? 4.893 120.945 7.887 32246 ?-?-? 5.320 120.920 8.992 19576 ?-?-? 2.654 119.689 7.921 29163 ?-?-? 4.898 120.920 8.992 64384 ?-?-? 2.973 122.038 7.112 28185 ?-?-? 1.446 122.038 7.112 103279 ?-?-? 2.557 123.927 9.073 39751 ?-?-? 6.770 124.389 8.473 40310 ?-?-? 4.703 121.335 7.714 122290 ?-?-? 1.734 127.807 8.480 156902 ?-?-? 3.815 123.844 8.109 23841 ?-?-? 6.654 121.684 9.056 51340 ?-?-? 0.663 115.700 8.895 45126 ?-?-? 1.239 115.700 8.895 27512 ?-?-? 8.654 127.266 9.439 51128 ?-?-? 1.575 128.013 9.761 29107 ?-?-? 2.705 127.965 9.756 43065 ?-?-? 2.710 118.246 9.258 54096 ?-?-? 4.823 123.392 9.229 137094 ?-?-? 3.743 119.169 8.034 73424 ?-?-? 8.419 120.663 7.641 182871 ?-?-? 4.716 120.437 8.414 66271 ?-?-? 3.743 120.437 8.414 37485 ?-?-? 7.294 116.657 8.263 23612 ?-?-? 6.770 123.044 8.185 27488 ?-?-? 4.743 123.044 8.185 50130 ?-?-? 4.165 123.044 8.185 67414 ?-?-? 2.382 123.044 8.185 42191 ?-?-? 1.696 123.044 8.185 269511 ?-?-? 0.833 123.044 8.185 123905 ?-?-? 3.896 115.759 8.414 317776 ?-?-? 1.784 115.759 8.414 131405 ?-?-? 6.772 119.777 7.290 61993 ?-?-? 1.147 113.737 8.116 113249 ?-?-? 2.768 113.737 8.116 27589 ?-?-? 8.606 113.737 8.116 23738 ?-?-? 0.928 122.766 8.709 70811 ?-?-? 5.301 122.197 7.222 41994 ?-?-? 4.315 122.197 7.222 35813 ?-?-? 2.701 122.197 7.219 73600 ?-?-? 4.036 118.088 8.143 89152 ?-?-? 0.815 117.907 9.703 30116 ?-?-? 9.111 118.097 6.961 39698 ?-?-? 8.326 118.097 6.961 42602 ?-?-? 4.057 118.097 6.961 114193 ?-?-? 2.445 118.097 6.961 115090 ?-?-? 2.467 120.735 7.690 279003 ?-?-? 3.674 116.391 7.517 36829 ?-?-? 1.557 116.391 7.517 489022 ?-?-? 0.676 116.391 7.517 56211 ?-?-? 4.534 119.697 8.052 43798 ?-?-? 4.136 119.697 8.049 39756 ?-?-? 0.676 119.697 8.049 60827 ?-?-? 4.017 110.676 7.581 163087 ?-?-? 1.557 110.676 7.581 80551 ?-?-? 1.469 110.676 7.581 94909 ?-?-? 8.545 118.102 8.034 25325 ?-?-? 3.905 118.102 8.034 183138 ?-?-? 3.026 118.102 8.034 33106 ?-?-? 1.250 118.102 8.034 98226 ?-?-? 8.046 121.187 8.542 55648 ?-?-? 4.446 121.187 8.542 449834 ?-?-? 1.466 121.187 8.542 175992 ?-?-? 0.730 121.187 8.542 269085 ?-?-? 4.686 123.993 8.180 339359 ?-?-? 2.792 123.993 8.180 54245 ?-?-? 2.497 123.993 8.180 77737 ?-?-? 1.554 123.993 8.180 345542 ?-?-? 8.393 106.235 8.052 37256 ?-?-? 1.664 106.235 8.052 51660 ?-?-? 3.826 121.128 8.384 532910 ?-?-? 3.732 121.128 8.384 442068 ?-?-? 2.795 121.128 8.384 25682 ?-?-? 0.831 121.128 8.384 60702 ?-?-? 8.560 125.751 8.232 43930 ?-?-? 4.212 125.751 8.232 419089 ?-?-? 1.925 125.751 8.232 124156 ?-?-? 7.326 122.205 8.557 29595 ?-?-? 4.607 122.205 8.557 345347 ?-?-? 1.421 122.205 8.557 146347 ?-?-? 0.952 122.205 8.557 118451 ?-?-? 9.704 124.700 8.554 33573 ?-?-? 4.607 124.700 8.554 135541 ?-?-? 2.375 124.700 8.554 45011 ?-?-? 0.715 124.700 8.554 65949 ?-?-? 3.978 114.561 8.338 358900 ?-?-? 2.129 114.561 8.338 80525 ?-?-? 1.381 114.561 8.338 288961 ?-?-? 1.424 114.561 8.338 292467 ?-?-? 5.243 121.601 7.222 92039 ?-?-? 4.534 121.601 7.319 251524 ?-?-? 4.145 121.601 7.319 228136 ?-?-? 3.020 121.601 7.319 35152 ?-?-? 2.126 121.601 7.319 124722 ?-?-? 2.004 121.601 7.319 130469 ?-?-? 1.865 121.601 7.319 132128 ?-?-? 1.734 121.601 7.319 113283 ?-?-? 0.776 121.601 7.319 79714 ?-?-? 4.242 123.403 9.247 335524 ?-?-? 2.658 123.403 9.247 60694 ?-?-? 4.866 125.025 8.727 153237 ?-?-? 4.866 117.093 8.527 37984 ?-?-? 1.922 117.093 8.527 145320 ?-?-? 0.916 117.093 8.527 57028 ?-?-? 0.797 117.093 8.527 44889 ?-?-? 8.527 117.951 6.766 51482 ?-?-? 9.251 117.951 6.766 31293 ?-?-? 6.949 117.951 6.766 161901 ?-?-? 3.719 117.951 6.766 52899 ?-?-? 1.861 117.951 6.766 118080 ?-?-? 1.737 117.951 6.766 162761 ?-?-? 1.655 117.951 6.766 192412 ?-?-? 1.600 117.951 6.766 178458 ?-?-? 1.329 117.951 6.766 93716 ?-?-? 6.769 122.675 6.936 225331 ?-?-? 4.328 122.675 6.936 80385 ?-?-? 2.661 122.675 6.936 181790 ?-?-? 8.527 118.326 8.064 18385 ?-?-? 7.730 118.326 8.067 155625 ?-?-? 6.943 118.326 8.067 175167 ?-?-? 6.778 118.326 8.067 71610 ?-?-? 6.231 118.326 8.067 38581 ?-?-? 4.325 118.326 8.067 52245 ?-?-? 1.594 118.326 8.067 259422 ?-?-? -0.526 118.326 8.067 87876 ?-?-? 2.692 120.857 7.730 45443 ?-?-? 6.829 117.699 7.593 62124 ?-?-? 3.925 117.699 7.593 120778 ?-?-? 7.698 112.307 7.085 135565 ?-?-? 3.715 112.307 7.085 87373 ?-?-? 3.250 112.307 7.085 63210 ?-?-? 1.872 112.307 7.085 99081 ?-?-? 1.656 112.307 7.085 166270 ?-?-? 4.074 116.568 8.557 92839 ?-?-? 3.925 116.568 8.560 91219 ?-?-? 3.852 116.568 8.557 86567 ?-?-? 3.244 116.568 8.557 36225 ?-?-? 2.261 116.568 8.557 65040 ?-?-? 1.662 116.568 8.557 160882 ?-?-? 1.316 116.568 8.557 70939 ?-?-? 8.358 108.734 7.690 113732 ?-?-? 7.090 108.734 7.690 56105 ?-?-? 4.591 108.734 7.690 101163 ?-?-? 2.258 108.734 7.690 39340 ?-?-? 4.819 115.401 8.350 42594 ?-?-? 4.147 115.401 8.350 503231 ?-?-? 3.417 115.401 8.350 50164 ?-?-? 8.918 110.157 8.603 46465 ?-?-? 4.618 110.157 8.603 74257 ?-?-? 3.417 110.157 8.603 328799 ?-?-? 2.261 110.157 8.603 119214 ?-?-? 2.070 110.157 8.603 188966 ?-?-? 1.696 110.157 8.603 92416 ?-?-? 2.079 122.130 8.031 121534 ?-?-? 8.829 121.267 8.280 52133 ?-?-? 4.408 121.267 8.280 67004 ?-?-? 1.979 121.267 8.280 43654 ?-?-? 1.395 121.267 8.280 23543 ?-?-? 8.279 114.447 8.554 40185 ?-?-? 2.955 114.447 8.524 64970 ?-?-? 2.693 114.447 8.563 41507 ?-?-? 4.916 114.447 8.560 106495 ?-?-? 4.995 114.447 8.560 94728 ?-?-? 6.071 114.447 8.560 30864 ?-?-? 6.613 114.447 8.560 26226 ?-?-? 6.918 114.512 8.441 134745 ?-?-? 6.067 114.512 8.441 203651 ?-?-? 4.616 114.512 8.441 76869 ?-?-? 2.844 114.512 8.441 127343 ?-?-? 6.915 122.212 8.940 34565 ?-?-? 2.953 122.212 8.940 160156 ?-?-? 8.497 124.966 9.147 39827 ?-?-? 7.469 124.966 9.147 58625 ?-?-? 4.921 124.966 9.147 62622 ?-?-? 4.632 124.966 9.147 68555 ?-?-? 4.063 124.966 9.147 30767 ?-?-? 2.147 124.966 9.147 156959 ?-?-? 0.742 124.966 9.147 50465 ?-?-? 4.714 126.539 9.235 85002 ?-?-? 3.066 126.539 9.235 32914 ?-?-? 2.132 126.539 9.235 36128 ?-?-? 9.235 135.939 8.822 103302 ?-?-? 1.442 102.942 8.822 28033 ?-?-? 3.294 102.942 8.822 38042 ?-?-? 6.283 120.971 7.450 26077 ?-?-? 4.063 120.971 7.450 124538 ?-?-? 3.622 120.971 7.450 168739 ?-?-? 3.300 120.971 7.450 31326 ?-?-? 9.056 126.202 8.490 24495 ?-?-? 9.339 126.202 8.490 25292 ?-?-? 4.924 126.202 8.490 142603 ?-?-? 1.694 126.202 8.490 41487 ?-?-? 1.314 126.202 8.490 122651 ?-?-? 0.815 126.202 8.490 31613 ?-?-? 0.657 126.202 8.490 30235 ?-?-? 4.589 122.204 9.332 85387 ?-?-? 6.879 126.844 9.354 29930 ?-?-? 2.783 126.844 9.354 37156 ?-?-? 7.235 133.524 8.232 44648 ?-?-? 5.231 133.524 8.232 28009 ?-?-? 4.546 133.524 8.232 29751 ?-?-? 3.768 133.524 8.232 59989 ?-?-? 4.194 114.234 7.292 66202 ?-?-? 3.768 114.234 7.292 45639 ?-?-? 0.910 114.234 7.292 152039 ?-?-? 0.815 114.234 7.292 179443 ?-?-? 4.543 124.543 7.943 509512 ?-?-? 4.045 124.543 7.943 58457 ?-?-? 2.312 124.543 7.943 81146 ?-?-? 1.071 124.543 7.943 81930 ?-?-? 0.815 124.543 7.943 238871 ?-?-? 7.236 126.740 8.721 28286 ?-?-? 7.823 126.740 8.721 109359 ?-?-? 8.404 126.740 8.721 45650 ?-?-? 1.662 126.740 8.721 178566 ?-?-? 1.075 126.740 8.721 193236 ?-?-? 0.811 126.740 8.721 238326 ?-?-? 0.607 126.740 8.721 215999 ?-?-? 4.694 130.296 9.171 50902 ?-?-? 1.775 130.296 9.171 52404 ?-?-? 0.811 130.296 9.171 226761 ?-?-? 1.772 108.143 7.931 31839 ?-?-? 1.665 108.143 7.931 39668 ?-?-? 0.604 108.143 7.931 140159 ?-?-? 7.142 120.684 7.800 45115 ?-?-? 8.720 120.684 7.800 158075 ?-?-? 9.170 120.684 7.800 36434 ?-?-? 9.337 120.684 7.800 32869 ?-?-? 3.885 120.684 7.800 232308 ?-?-? 0.604 120.684 7.800 284370 ?-?-? 7.811 123.826 8.508 57979 ?-?-? 4.694 123.826 8.508 337685 ?-?-? 3.408 123.826 8.508 32211 ?-?-? 1.906 123.826 8.508 313385 ?-?-? 1.665 123.826 8.508 155355 ?-?-? 1.437 123.826 8.508 111221 ?-?-? 0.787 123.826 8.508 87713 ?-?-? 6.918 114.639 8.368 46636 ?-?-? 4.689 114.639 8.368 142721 ?-?-? 4.072 114.639 8.368 206452 ?-?-? 4.686 121.607 7.222 96203 ?-?-? 4.109 121.607 7.222 136650 ?-?-? 2.251 121.607 7.222 47510 ?-?-? 1.971 121.607 7.222 49581 ?-?-? 1.062 121.607 7.222 267255 ?-?-? 9.688 124.502 9.047 41459 ?-?-? 2.628 124.502 9.047 34403 ?-?-? 1.411 124.502 9.047 172015 ?-?-? 1.348 124.502 9.047 173064 ?-?-? 8.898 122.946 7.943 59149 ?-?-? 4.361 122.946 7.943 52355 ?-?-? 3.561 122.946 7.943 54928 ?-?-? 2.725 122.946 7.943 108364 ?-?-? 2.275 122.946 7.943 94061 ?-?-? 1.907 122.946 7.943 72409 ?-?-? 1.159 122.946 7.943 34398 ?-?-? 0.730 122.946 7.943 72718 ?-?-? 4.434 121.077 7.961 82709 ?-?-? 1.989 121.077 7.961 43894 ?-?-? 4.480 120.491 7.861 70160 ?-?-? 4.115 120.491 7.861 171681 ?-?-? 3.792 120.491 7.861 27041 ?-?-? 1.229 120.491 7.861 75125 ?-?-? 8.354 120.855 7.581 26496 ?-?-? 2.755 120.855 7.581 23466 ?-?-? 2.810 125.342 7.563 103884 ?-?-? 0.627 121.008 9.002 51687 ?-?-? 0.987 124.130 9.281 70456 ?-?-? 8.034 119.266 8.035 942622 ?-?-? 0.688 119.541 8.041 66107 ?-?-? 8.263 116.725 8.265 1042218 ?-?-? 0.743 120.506 8.304 83055 ?-?-? 8.053 116.427 7.516 209365 ?-?-? 2.038 120.974 7.735 217464 ?-?-? 0.792 115.058 8.782 47285 ?-?-? 1.487 119.145 7.994 135119 ?-?-? 8.687 119.770 7.712 115310 ?-?-? 1.487 119.145 7.994 135119 ?-?-? 1.577 115.490 8.294 89227 ?-?-? 0.753 114.535 7.583 176110 ?-?-? 8.700 125.472 9.332 24955 ?-?-? 1.468 112.410 7.508 145460 ?-?-? 8.833 114.458 8.441 44489 ?-?-? 4.147 126.739 8.861 49338 ?-?-? 0.780 131.224 9.050 83025 ?-?-? 4.393 121.399 7.715 122162 ?-?-? 4.098 121.399 7.715 396640 ?-?-? 2.693 118.462 7.535 50881 ?-?-? 7.656 121.659 7.319 28217 ?-?-? 0.963 117.976 6.763 22228 ?-?-? 7.157 120.971 7.450 79692 ?-?-? 0.394 118.462 7.535 26275 ?-?-? 0.704 118.462 7.535 28057 ?-?-? 3.298 116.887 7.928 54610 ?-?-? 3.836 116.887 7.928 58523 ?-?-? 4.699 121.153 8.381 143525 ?-?-? 0.688 119.541 8.041 66107 ?-?-? 2.046 120.746 7.640 151017 ?-?-? 8.263 116.725 8.265 1042218 ?-?-? 3.944 123.096 8.188 231914 ?-?-? 3.355 117.696 7.596 30009 ?-?-? 2.582 117.696 7.593 33507 ?-?-? -0.519 117.696 7.596 28219 ?-?-? 7.113 120.970 8.998 53804 ?-?-? 3.297 108.767 7.690 37719 ?-?-? 2.159 120.971 7.450 116393 ?-?-? 4.872 120.971 7.450 44433 ?-?-? 3.047 124.966 9.150 91337 ?-?-? 1.445 124.966 9.147 50944 ?-?-? 3.570 122.192 8.034 104479 ?-?-? 1.585 123.192 7.934 59524 ?-?-? 8.746 122.555 8.426 44195 ?-?-? 9.266 122.555 8.426 25765 ?-?-? 9.059 121.023 7.885 46623 ?-?-? 0.362 124.091 9.284 67879 ?-?-? 0.712 126.527 9.047 32555 ?-?-? 1.594 126.527 9.050 85265 ?-?-? 4.133 127.103 9.107 42514 ?-?-? 1.941 127.103 9.107 71557 ?-?-? 1.545 127.103 9.107 79295 ?-?-? 1.646 127.103 9.107 67566 ?-?-? 0.946 127.103 9.107 147857 ?-?-? 4.154 121.120 8.359 54920 ?-?-? 4.033 121.120 8.362 25022 ?-?-? 0.787 121.125 8.359 82559 ?-?-? 4.329 122.062 7.110 32594 ?-?-? 3.779 122.062 7.110 23963 ?-?-? 4.700 122.062 7.107 44293 ?-?-? 6.351 122.062 7.110 58008 ?-?-? 1.963 115.818 8.682 37140 ?-?-? 8.084 119.753 7.712 55024 ?-?-? 6.768 119.753 7.712 34675 ?-?-? 4.667 119.753 7.712 73053 ?-?-? 7.717 124.199 8.314 20569 ?-?-? 4.411 124.199 8.311 53028 ?-?-? 8.538 115.007 8.782 18557 ?-?-? 3.903 115.007 8.782 108165 ?-?-? 6.725 118.999 7.991 32747 ?-?-? 4.712 118.999 7.991 128015 ?-?-? 6.740 122.137 7.508 30300 ?-?-? 4.232 122.137 7.508 112909 ?-?-? 0.780 122.137 7.508 110803 ?-?-? 4.250 125.497 8.356 101161 ?-?-? 0.732 125.497 8.356 37623 ?-?-? 8.303 123.629 7.931 34590 ?-?-? 8.802 123.629 7.931 63571 ?-?-? 7.598 123.629 7.931 33763 ?-?-? 3.584 123.629 7.931 69509 ?-?-? 2.632 123.629 7.931 105751 ?-?-? 0.756 123.629 7.931 67266 ?-?-? 4.691 124.519 8.761 69004 ?-?-? 1.154 124.519 8.764 26306 ?-?-? 4.068 113.010 8.873 335120 ?-?-? 8.352 111.019 8.052 38493 ?-?-? 1.510 111.019 8.052 26119 ?-?-? 1.954 111.019 8.052 58709 ?-?-? 1.887 115.519 8.292 72908 ?-?-? 1.182 115.519 8.292 64513 ?-?-? 0.969 115.519 8.292 90543 ?-?-? 4.679 123.946 9.074 90048 ?-?-? 1.766 123.946 9.074 231797 ?-?-? 0.972 123.946 9.074 117275 ?-?-? 3.364 131.294 9.054 24474 ?-?-? 2.255 131.224 9.050 21985 ?-?-? 1.182 131.224 9.053 110335 ?-?-? 6.908 114.514 7.581 33540 ?-?-? 8.303 114.514 7.584 49281 ?-?-? 4.709 114.514 7.584 29605 ?-?-? 4.174 114.514 7.581 68293 ?-?-? 2.283 114.514 7.581 57583 ?-?-? 2.742 125.475 9.335 52559 ?-?-? 0.753 125.475 9.335 124730 ?-?-? 7.808 126.739 8.861 39245 ?-?-? 3.283 129.963 9.567 20887 ?-?-? 1.525 129.963 9.570 53875 ?-?-? 7.467 117.827 7.800 26901 ?-?-? 4.524 117.827 7.800 43645 ?-?-? 2.806 117.827 7.800 44231 ?-?-? 1.735 117.827 7.800 20537 ?-?-? 6.996 124.421 8.475 32813 ?-?-? 1.310 124.421 8.475 157284 ?-?-? 1.249 124.421 8.475 173302 ?-?-? 1.240 128.180 9.095 47493 ?-?-? 3.808 122.315 8.691 21972 ?-?-? 2.780 122.315 8.691 33405 ?-?-? 1.457 122.315 8.691 129320 ?-?-? 4.686 117.349 8.378 69517 ?-?-? 3.926 117.349 8.381 62676 ?-?-? 1.679 117.349 8.378 37635 ?-?-? 2.117 121.399 7.715 62830 ?-?-? 1.725 121.399 7.715 102101 ?-?-? 1.597 121.399 7.715 67972 ?-?-? 0.890 123.115 8.788 50461 ?-?-? 2.289 116.478 8.697 46680 ?-?-? 0.765 116.478 8.697 80719 ?-?-? 2.146 127.325 9.442 32373 ?-?-? 1.614 127.325 9.442 134390 ?-?-? 0.844 127.325 9.442 139427 ?-?-? 1.592 118.275 9.259 200412 ?-?-? 1.647 123.392 9.229 166516 ?-?-? 1.595 123.392 9.229 165379 ?-?-? 3.897 114.977 8.262 68476 ?-?-? 2.343 114.977 8.262 65216 ?-?-? 1.784 114.977 8.262 268145 ?-?-? 0.641 114.977 8.262 26519 ?-?-? 8.267 119.215 8.037 149056 ?-?-? 1.532 119.215 8.034 246933 ?-?-? 3.826 120.729 7.639 192982 ?-?-? 1.703 120.478 8.417 60731 ?-?-? 1.451 120.478 8.417 75356 ?-?-? 0.724 120.478 8.417 36143 ?-?-? 4.756 116.694 8.262 102807 ?-?-? 2.676 116.694 8.262 35757 ?-?-? 1.703 116.694 8.262 75073 ?-?-? 8.417 123.097 8.186 180472 ?-?-? 7.384 123.097 8.186 39841 ?-?-? 7.305 123.097 8.189 42128 ?-?-? 0.867 115.783 8.414 60593 ?-?-? 4.571 119.807 7.286 47066 ?-?-? 3.120 119.807 7.289 31673 ?-?-? 2.573 119.807 7.286 39560 ?-?-? 1.552 57.585 4.508 0 ?-?-? 8.687 119.770 7.712 115310 ?-?-? 1.487 119.145 7.994 135119 ?-?-? 8.135 124.391 8.755 27586 ?-?-? 0.627 121.008 9.002 51687 ?-?-? 8.687 119.770 7.712 115310 ?-?-? 0.784 124.252 8.313 91039 ?-?-? 1.487 119.145 7.994 135119 ?-?-? 3.808 122.167 7.509 54457 ?-?-? 0.753 114.535 7.583 176110 ?-?-? 0.761 117.408 8.378 34189 ?-?-? 1.488 122.782 8.707 75293 ?-?-? 8.705 122.237 7.219 38454 ?-?-? 1.799 122.237 7.219 54447 ?-?-? 2.700 118.123 8.141 141673 ?-?-? 3.007 121.885 7.855 33988 ?-?-? 2.703 121.885 7.855 98338 ?-?-? 4.184 121.595 9.106 416486 ?-?-? 4.117 121.595 9.106 426053 ?-?-? 3.036 121.595 9.106 65538 ?-?-? 2.721 121.595 9.106 46357 ?-?-? 1.802 121.595 9.106 209748 ?-?-? 1.389 124.546 8.537 431137 ?-?-? 4.545 117.981 9.707 24361 ?-?-? 1.728 117.981 9.707 48783 ?-?-? 1.449 117.981 9.707 46726 ?-?-? 1.926 118.146 6.961 204852 ?-?-? 1.170 118.146 6.961 145766 ?-?-? 9.709 120.791 7.689 44616 ?-?-? 3.958 120.791 7.689 153717 ?-?-? 1.555 120.791 7.689 197197 ?-?-? 7.531 120.550 8.314 56590 ?-?-? 6.916 120.550 8.314 38814 ?-?-? 4.252 120.550 8.314 16371 ?-?-? 3.675 120.550 8.314 32625 ?-?-? 2.460 120.550 8.314 89030 ?-?-? 4.524 116.426 7.516 99401 ?-?-? 7.528 119.697 8.049 131108 ?-?-? 4.852 119.697 8.049 31280 ?-?-? 2.668 119.697 8.049 43067 ?-?-? 1.647 119.697 8.049 111660 ?-?-? 3.668 112.442 7.509 56481 ?-?-? 0.615 112.442 7.509 90086 ?-?-? 0.721 112.442 7.509 97160 ?-?-? 3.007 110.702 7.579 44415 ?-?-? 7.952 114.234 7.293 26920 ?-?-? 1.603 117.145 8.530 183170 ?-?-? 0.920 120.940 7.731 259950 ?-?-? 0.991 122.695 6.936 248423 ?-?-? 1.924 121.143 8.382 543440 ?-?-? 1.975 117.633 8.056 14193 ?-?-? 4.584 117.633 8.053 66071 ?-?-? 9.341 126.722 8.862 17745 T2HA-S3N-H 4.376 117.750 8.348 297468 T2HA-W5N-H 4.385 120.945 7.887 173600 T2HB-S3N-H 4.214 117.701 8.351 124293 T2HG1-S3N-H 1.200 117.712 8.346 24395 T2HG1-E4N-H 1.204 122.555 8.427 33858 S3H-N-H 8.353 117.732 8.348 648671 S3HA-E4N-H 4.428 122.555 8.427 452377 S3HB2-N-H 3.733 117.712 8.346 106712 S3HB2-E4N-H 3.738 122.496 8.424 105985 S3HB2-W5N-H 3.735 120.945 7.885 22080 S3HB3-N-H 3.677 117.712 8.346 97560 S3HB3-E4N-H 3.677 122.496 8.424 107607 S3HB3-W5N-H 3.677 120.945 7.885 23659 E4H-N-H 8.424 122.577 8.426 1849243 E4H-W5N-H 8.430 120.945 7.885 99383 E4HA-N-H 4.287 122.555 8.427 341496 E4HA-W5N-H 4.282 121.023 7.887 208485 E4HB2-N-H 1.946 122.496 8.424 217236 E4HB2-W5N-H 1.946 120.928 7.889 92695 E4HB3-S3N-H 1.766 117.712 8.348 20581 E4HB3-N-H 1.766 122.496 8.424 257616 E4HG2-S3N-H 2.073 117.712 8.348 31711 E4HG2-N-H 2.071 122.496 8.424 236490 E4HG2-W5N-H 2.071 120.945 7.885 85574 W5H-E4N-H 7.884 122.574 8.426 155896 W5H-N-H 7.883 120.945 7.885 814677 W5H-E6N-H 7.888 120.920 8.992 25498 W5HA-N-H 4.508 121.023 7.887 126969 W5HB2-N-H 3.051 120.945 7.885 209887 W5HB2-E6N-H 3.051 120.920 8.992 90668 W5HB2-A62N-H 3.057 126.527 9.047 22042 W5HD1-N-H 7.161 121.023 7.887 101957 W5HD1-Q63N-H 7.172 118.275 9.259 25808 E6H-W5N-H 8.998 120.945 7.885 53946 E6H-N-H 8.997 120.954 8.993 475663 E6H-L7N-H 8.996 119.689 7.921 37511 E6HA-N-H 4.520 120.920 8.995 289284 E6HA-L7N-H 4.515 119.718 7.922 139812 E6HB2-N-H 1.606 120.920 8.995 186446 E6HB2-L7N-H 1.604 119.689 7.921 134897 E6HB2-F8N-H 1.606 124.093 9.282 45856 E6HG2-N-H 2.119 120.920 8.992 102578 E6HG2-L7N-H 2.124 119.689 7.921 36503 L7H-E6N-H 7.935 120.920 8.992 24937 L7H-N-H 7.931 119.709 7.921 262511 L7HA-E6N-H 4.956 120.920 8.992 55756 L7HA-N-H 4.960 119.689 7.923 48602 L7HA-F8N-H 4.959 124.091 9.285 175166 L7HD2-N-H 0.385 119.689 7.921 29036 L7HD2-C59N-H 0.385 121.125 8.359 24954 L7HD2-V60N-H 0.387 128.013 9.761 41305 F8H-N-H 9.296 124.093 9.282 199179 F8H-V60N-H 9.287 128.013 9.761 23684 F8H-L67N-H 9.293 120.729 7.639 36705 F8HA-N-H 5.039 124.091 9.285 137892 F8Hd-N-H 6.891 124.118 9.283 38641 I9H-N-H 9.027 120.851 9.024 100457 I9H-C59N-H 9.020 121.120 8.362 26898 I9HA-F8N-H 4.559 124.093 9.280 33255 I19H-N-H 7.114 122.062 7.112 356620 I19HA-N-H 3.369 122.062 7.109 52731 I19HA-G20N-H 3.366 115.848 8.678 77777 I19HA-E21N-H 3.368 119.715 7.712 63924 I19HB-N-H 1.863 122.038 7.112 159402 I19HB-G20N-H 1.863 115.848 8.680 31165 I19HD1-N-H 0.868 122.038 7.112 117739 I19HD1-G20N-H 0.871 115.848 8.680 60805 G20H-I19N-H 8.688 122.038 7.112 45545 G20H-N-H 8.686 115.848 8.680 156635 G20H-E21N-H 8.687 119.770 7.712 115310 G20HA2-I19N-H 4.240 122.062 7.109 25943 G20HA2-N-H 4.231 115.818 8.681 67588 G20HA2-E21N-H 4.238 119.746 7.714 74700 G20HA3-I19N-H 3.724 122.038 7.112 24312 G20HA3-N-H 3.739 115.818 8.682 55161 G20HA3-E21N-H 3.741 119.753 7.710 117598 E21H-G20N-H 7.719 115.818 8.681 37278 E21H-N-H 7.711 119.747 7.712 591339 E21HA-N-H 4.712 119.715 7.712 73958 E21HB2-N-H 1.911 119.753 7.713 235629 P22HA-L23N-H 4.712 124.156 8.312 73019 P22HB2-E21N-H 2.080 119.715 7.712 153996 P22HB2-L23N-H 2.083 124.156 8.312 85518 P22HB2-R24N-H 2.088 114.977 8.782 76111 P22HB2-N25N-H 2.085 118.999 7.990 109541 L23H-N-H 8.309 124.228 8.311 300425 L23H-L26N-H 8.319 122.137 7.508 47937 L23HA-N-H 3.834 124.199 8.311 120274 L23HA-N25N-H 3.843 118.999 7.991 91913 L23HA-L26N-H 3.843 122.137 7.510 50004 L23HB2-L26N-H 1.610 122.110 7.512 352047 L23HD1-E21N-H 0.844 119.715 7.712 84594 L23HD1-N-H 0.841 124.201 8.310 68575 L23HG-N-H 1.732 124.156 8.312 211008 R24H-L23N-H 8.784 124.201 8.310 35724 R24H-N-H 8.786 114.999 8.783 278450 R24H-N25N-H 8.784 118.999 7.991 75565 R24HA-N-H 4.229 115.085 8.782 100242 R24HA-N25N-H 4.230 118.999 7.991 83590 R24HB2-N-H 1.915 114.977 8.782 102900 R24HB2-N25N-H 1.910 118.999 7.992 122075 R24HB3-N-H 1.680 114.977 8.780 133352 R24HB3-N25N-H 1.678 118.999 7.992 109552 R24HG2-N-H 1.441 114.977 8.780 124319 R24HG2-N25N-H 1.441 118.999 7.991 109654 N25H-R24N-H 7.996 114.977 8.782 43094 N25H-N-H 7.992 118.999 7.991 592387 N25H-L26N-H 7.999 122.137 7.508 163313 N25HA-L23N-H 4.668 124.156 8.312 67661 N25HA-R24N-H 4.667 114.971 8.781 27204 N25HA-N-H 4.665 118.999 7.991 130634 N25HA-L26N-H 4.673 122.137 7.508 91535 N25HB2-R24N-H 3.067 114.971 8.781 53096 N25HB2-N-H 3.073 118.999 7.992 137915 N25HB2-L26N-H 3.071 122.110 7.512 56683 N25HB3-N-H 2.800 118.999 7.992 150723 N25HB3-L26N-H 2.800 122.137 7.510 43209 L26H-N25N-H 7.517 118.999 7.990 179019 L26H-N-H 7.507 122.137 7.508 673531 L26HA-N-H 4.320 122.137 7.508 123414 L26HA-F27N-H 4.317 125.497 8.356 114274 L26HB2-N25N-H 1.527 118.999 7.992 106109 L26HD1-N-H 0.707 122.137 7.508 109203 F27H-N-H 8.357 125.431 8.356 259545 F27HA-N-H 4.559 125.431 8.356 46538 F27HA-M28N-H 4.566 123.643 7.929 253359 F27HB2-L26N-H 2.976 122.137 7.510 49475 F27HB2-N-H 2.978 125.497 8.356 96230 F27HB2-M28N-H 2.973 123.616 7.929 61641 F27HD1-N-H 7.197 125.431 8.358 22573 F27HD1-M28N-H 7.197 123.643 7.928 26102 M28H-N-H 7.932 123.629 7.928 609161 M28HA-N-H 4.642 123.643 7.929 191935 M28HB2-N-H 2.071 123.643 7.929 90127 M28HE1-N-H 1.758 123.643 7.929 137827 P29HA-M28N-H 4.323 123.629 7.931 47285 P29HA-E30N-H 4.332 124.519 8.761 385802 P29HB2-M28N-H 2.380 123.643 7.929 123361 P29HD2-M28N-H 3.643 123.616 7.929 69441 E30H-N-H 8.760 124.519 8.761 626650 E30HA-N-H 4.071 124.480 8.760 123006 E30HB2-N-H 2.012 124.480 8.760 276008 E30HB2-G31N-H 2.012 113.010 8.873 113555 E30HG2-N-H 2.329 124.480 8.760 132264 E30HG2-G31N-H 2.328 112.966 8.873 82753 E30HG2-T32N-H 2.326 111.019 8.051 35995 G31H-N-H 8.867 113.044 8.872 418271 G31H-T32N-H 8.872 111.019 8.052 133244 G31HA2-N-H 4.489 112.966 8.873 146246 G31HA2-T32N-H 4.492 111.019 8.053 97407 G31HA3-N-H 3.787 112.966 8.873 159138 G31HA3-T32N-H 3.784 111.019 8.051 85780 T32H-G31N-H 8.060 112.966 8.870 115168 T32H-N-H 8.060 111.019 8.051 764718 T32HA-N-H 5.339 111.019 8.052 101776 T32HA-R33N-H 5.348 115.519 8.292 151731 T32HB-N-H 4.054 111.081 8.052 143907 T32HB-R33N-H 4.058 115.519 8.292 127852 T32HG1-M28N-H 1.160 123.616 7.931 28040 T32HG1-N-H 1.167 111.019 8.051 142026 T32HG1-A62N-H 1.160 126.527 9.046 31229 R33H-N-H 8.304 115.519 8.295 365129 R33H-M61N-H 8.302 127.103 9.107 29578 R33HA-T32N-H 4.701 111.019 8.053 111159 R33HA-N-H 4.700 115.519 8.292 42040 R33HB2-N-H 1.766 115.519 8.292 68585 R33HB3-N-H 1.650 115.519 8.292 82170 R33HG2-N-H 1.485 115.519 8.292 79578 I34H-R33N-H 9.075 115.519 8.295 57871 I34H-N-H 9.075 123.999 9.074 373057 I34H-V60N-H 9.074 128.013 9.761 25438 I34HA-N-H 4.171 123.946 9.074 44842 I34HA-A35N-H 4.165 131.171 9.051 80624 I34HB-N-H 1.886 123.927 9.073 218411 I34HB-A36N-H 1.882 114.459 7.582 32864 I34HD1-N-H 0.774 123.946 9.074 80114 A35H-N-H 9.054 131.224 9.053 166948 A35H-A36N-H 9.061 114.514 7.584 111075 A35HA-N-H 4.404 131.187 9.053 40098 A35HB-A36N-H 1.179 114.459 7.582 175257 A35HB-C59N-H 1.192 121.120 8.362 44961 A36H-A35N-H 7.592 131.224 9.053 54084 A36H-N-H 7.589 114.514 7.581 364273 A36HA-N-H 4.414 114.514 7.581 115634 A36HA-V37N-H 4.411 120.382 8.251 43729 A36HB-N-H 1.250 114.514 7.584 138057 A36HB-F38N-H 1.243 125.420 9.334 24176 V37H-N-H 8.253 120.382 8.251 126721 V37HA-F38N-H 4.721 125.475 9.335 95945 V37HB-A35N-H 1.785 131.224 9.053 30387 ?-?-? 1.784 120.417 8.247 20151 V37HG1-N-H 0.752 120.382 8.251 63202 F38H-N-H 9.336 125.420 9.334 188093 F38H-T57N-H 9.343 116.478 8.696 36140 F38HA-N-H 5.396 125.475 9.335 28619 F38HA-R39N-H 5.399 126.722 8.858 142315 F38HA-Q42N-H 5.399 117.758 7.799 16317 F38HB2-N-H 2.794 125.420 9.334 52574 F38HB2-R39N-H 2.803 126.779 8.863 36438 F38HB3-N-H 2.608 125.420 9.334 45920 F38HB3-Q42N-H 2.605 117.827 7.800 31471 F38HB3-T57N-H 2.611 116.478 8.697 55564 F38HD1-N-H 6.765 125.420 9.334 28878 F38HD1-R39N-H 6.767 126.722 8.858 29263 R39H-N-H 8.863 126.739 8.861 219115 R39H-Q42N-H 8.867 117.827 7.796 66866 R39HA-N-H 4.527 126.739 8.861 37237 R39HA-D40N-H 4.527 129.963 9.570 120946 R39HB2-N-H 1.732 126.739 8.861 45855 R39HB2-C53N-H 1.731 121.722 9.059 54250 R39HG2-N-H 1.460 126.722 8.860 69635 D40H-N-H 9.568 129.963 9.570 224478 D40Ha-N-H 4.162 129.963 9.570 155439 D40HB2-N-H 2.869 129.963 9.570 37609 D40HB3-N-H 2.538 129.963 9.570 27285 N41H-D40N-H 8.504 129.963 9.567 38426 N41H-N-H 8.497 109.842 8.499 173461 N41H-Q42N-H 8.497 117.758 7.799 69863 N41HA-N-H 4.153 109.859 8.502 158313 N41HA-Q42N-H 4.150 117.827 7.800 88111 N41HB2-N-H 3.036 109.990 8.503 38881 Q42H-N-H 7.812 117.827 7.799 524055 Q42HA-N-H 4.709 117.758 7.799 53714 Q42HA-L43N-H 4.706 124.389 8.473 178820 Q42HB2-N-H 2.004 117.758 7.799 95982 Q42HB2-L43N-H 2.004 124.389 8.473 97993 Q42HG2-N-H 2.296 117.758 7.799 64597 Q42HG2-L43N-H 2.294 124.389 8.473 59497 L43H-N-H 8.480 124.389 8.473 434086 L43HA-N-H 4.174 124.389 8.473 61876 L43HA-L44N-H 4.171 128.180 9.095 65270 L43HD1-N-H 0.472 124.389 8.473 82134 L43HD1-L44N-H 0.467 128.180 9.095 42583 L44H-L43N-H 9.116 124.389 8.473 21052 L44H-N-H 9.106 128.180 9.095 124594 L44HA-N-H 4.533 128.180 9.095 28491 L44HB2-N-H 1.454 128.128 9.095 93231 L44HD2-N-H 0.746 128.128 9.095 47312 L44HD2-H45N-H 0.745 122.315 8.691 104149 H45H-N-H 8.685 122.315 8.691 425890 H45HA-N-H 4.553 122.315 8.691 234426 H45HB2-N-H 3.057 122.315 8.691 192044 H45HD1-N-H 7.016 122.315 8.691 41090 P46HA-S47N-H 4.364 117.349 8.378 108642 P46HB2-L23N-H 2.034 124.156 8.312 81515 S47H-N-H 8.399 117.349 8.378 275327 S47H-T50N-H 8.405 121.399 7.715 113540 S49H-N-H 7.861 110.638 7.848 243465 S49HA-N-H 4.403 110.638 7.851 75349 S49HB2-N-H 3.924 110.638 7.851 181983 T50H-N-H 7.717 121.335 7.714 1163779 T50H-E51N-H 7.721 127.853 8.481 50358 T50HA-N-H 4.024 121.335 7.714 315486 T50HB-L23N-H 3.870 124.199 8.311 120274 T50HB-N-H 3.854 121.335 7.714 329294 T50HB-E51N-H 3.854 127.807 8.480 343045 T50HG1-N-H 1.092 121.399 7.713 130137 T50HG1-E51N-H 1.095 127.807 8.480 118245 E51H-N-H 8.478 127.853 8.481 601397 E51HA-N-H 4.410 127.853 8.481 80060 E51HA-L52N-H 4.413 123.844 8.107 70622 E51HB2-N-H 1.812 127.853 8.481 172336 E51HB3-N-H 1.600 127.853 8.481 121569 E51HG2-N-H 2.118 127.901 8.481 98111 L52H-N-H 8.111 123.844 8.108 156704 L52HA-N-H 4.171 123.844 8.109 27137 L52HA-C53N-H 4.172 121.722 9.059 192267 L52HB2-N-H 1.483 123.844 8.110 40839 L52HD2-N-H 0.761 123.844 8.107 62545 L52Hd2-C53N-H 0.764 121.684 9.056 168403 C53H-N-H 9.065 121.722 9.059 305990 C53HA-L52N-H 4.653 123.844 8.107 33279 C53HA-N-H 4.653 121.722 9.059 74592 C53HA-E54N-H 4.656 123.060 8.785 138065 C53HB2-N-H 2.836 121.722 9.057 77694 C53HB2-E54N-H 2.834 123.060 8.785 87560 C53HB3-N-H 2.717 121.684 9.056 97934 C53HB3-E54N-H 2.717 123.060 8.785 77471 E54H-N-H 8.786 123.060 8.785 262371 E54HA-N-H 3.588 123.060 8.785 33935 E54HB2-G55N-H 1.900 115.700 8.895 74235 E54HG2-N-H 2.178 123.060 8.785 52783 E54HG2-G55N-H 2.173 115.700 8.897 71366 G55H-N-H 8.896 115.700 8.895 220158 G55H-D56N-H 8.899 123.192 7.931 114735 G55HA2-N-H 4.376 115.700 8.895 118739 G55HA2-D56N-H 4.378 123.192 7.932 101867 G55HA3-N-H 3.573 115.700 8.895 234880 G55HA3-D56N-H 3.572 123.192 7.931 104000 D56H-G55N-H 7.937 115.700 8.895 57296 D56H-N-H 7.935 123.195 7.931 1019617 D56H-T57N-H 7.935 116.478 8.700 24918 D56HA-N-H 4.707 123.195 7.931 163536 D56HA-T57N-H 4.705 116.397 8.695 104462 D56HB2-N-H 2.707 123.195 7.931 230821 D56HB2-T57N-H 2.707 116.397 8.695 58195 D56HB3-N-H 2.293 123.195 7.931 206433 T57H-D56N-H 8.702 123.192 7.932 76719 T57H-N-H 8.703 116.397 8.695 264695 T57HA-N-H 4.968 116.397 8.695 33982 T57HA-L58N-H 4.968 127.325 9.442 213984 T57HB-F38N-H 4.156 125.475 9.335 52085 T57HB-N-H 4.156 116.478 8.695 68035 L58H-N-H 9.447 127.325 9.442 304193 L58HD1-N-H 0.774 127.325 9.442 122053 L58HG-N-H 1.568 127.325 9.442 115432 C59H-N-H 8.361 121.112 8.353 342842 C59HA-L58N-H 4.910 127.325 9.442 212392 C59HB2-A36N-H 2.848 114.514 7.581 55435 C59HB2-N-H 2.844 121.120 8.359 31257 V60H-F8N-H 9.762 124.093 9.282 36886 V60H-N-H 9.764 127.965 9.756 176784 V60HA-N-H 4.673 127.965 9.756 35586 V60HA-M61N-H 4.674 127.103 9.107 119454 V60HB-F8N-H 2.278 124.091 9.284 45009 V60HB-N-H 2.297 127.965 9.756 89871 V60HG1-N-H 0.936 128.013 9.761 111986 M61H-N-H 9.110 127.034 9.102 216099 M61HA-R33N-H 5.311 115.519 8.292 160737 M61HA-N-H 5.310 127.103 9.107 58816 M61HA-A62N-H 5.315 126.484 9.048 132301 M61HB2-N-H 2.251 127.103 9.107 60431 M61HB2-A62N-H 2.256 126.484 9.048 34830 A62H-N-H 9.059 126.484 9.048 248329 A62HA-N-H 4.956 126.484 9.048 55323 A62HA-Q63N-H 4.959 118.246 9.258 87762 A62HB-N-H 1.549 126.484 9.048 87764 Q63H-A62N-H 9.266 126.527 9.046 48427 Q63H-N-H 9.260 118.267 9.258 256845 Q63HA-A62N-H 4.899 126.527 9.046 56291 Q63HA-N-H 4.899 118.275 9.261 100699 Q63HA-E64N-H 4.901 123.392 9.229 149270 Q63HG2-N-H 2.097 118.246 9.258 40978 E64H-N-H 9.237 123.379 9.228 433778 E64H-R65N-H 9.237 114.977 8.261 78963 E64HA-N-H 3.897 123.392 9.229 72295 E64HB2-N-H 2.174 123.392 9.229 212588 E64HB3-N-H 2.055 123.392 9.229 217454 R65H-E64N-H 8.270 123.392 9.229 42573 R65H-N-H 8.268 114.977 8.260 676964 R65HA-N-H 4.201 114.977 8.262 225001 R65HA-D66N-H 4.204 119.215 8.034 92014 R65HB2-N-H 1.883 114.977 8.261 257364 R65HB2-D66N-H 1.885 119.215 8.034 116231 R65HB3-D66N-H 1.775 119.215 8.034 150971 R65HD2-N-H 3.065 114.977 8.260 71888 R65HD2-D66N-H 3.065 119.169 8.034 46763 R65HG2-N-H 1.434 114.977 8.262 234854 R65HG2-D66N-H 1.437 119.215 8.034 273315 D66H-R65N-H 8.043 114.977 8.260 103846 D66H-N-H 8.033 119.169 8.034 942622 D66H-L67N-H 8.041 120.663 7.641 267018 D66HA-R65N-H 4.821 114.977 8.260 60257 D66HA-N-H 4.821 119.169 8.034 204471 D66HA-L67N-H 4.826 120.729 7.639 116508 D66HB2-N-H 2.711 119.169 8.034 314390 D66HB2-L67N-H 2.716 120.663 7.641 131240 D66HB2-L70N-H 2.710 123.044 8.185 39598 L67H-D66N-H 7.653 119.169 8.034 259814 L67H-N-H 7.643 120.752 7.641 1001626 L67H-E68N-H 7.647 120.495 8.415 67324 L67HA-N-H 3.738 120.729 7.639 209027 L67HB2-N-H 1.697 120.729 7.639 379386 L67HB3-N-H 1.452 120.663 7.641 510182 L67HD1-N-H 0.628 120.663 7.641 137123 L67HD2-N-H 0.220 120.663 7.641 87215 L67HG-N-H 1.594 120.663 7.641 339181 E68H-N-H 8.417 120.478 8.414 519716 E68HA-N-H 4.009 120.437 8.414 170321 E68HB2-N-H 2.045 120.437 8.414 350482 E68HB2-S69N-H 2.045 116.657 8.263 280445 E68HG2-N-H 2.243 120.437 8.414 85551 S69H-N-H 8.263 116.725 8.265 1042218 S69HA-N-H 4.165 116.657 8.263 175003 S69HB2-N-H 3.894 116.657 8.263 350231 L70H-N-H 8.189 123.097 8.186 558199 L70H-S71N-H 8.194 115.783 8.414 185764 L70HB2-N-H 1.921 123.044 8.185 187484 L70HB2-S71N-H 1.921 115.759 8.414 117875 L70HB3-N-H 1.630 123.044 8.185 265000 L70HB3-S71N-H 1.627 115.783 8.414 137721 L70HD1-N-H 0.750 123.044 8.185 104529 S71H-N-H 8.419 115.759 8.414 704185 S71HA-N-H 4.572 115.759 8.414 159834 S71HB2-N-H 3.998 115.783 8.414 437058 R72H-N-H 7.381 119.411 7.380 74448 R72HA-N-H 4.106 119.411 7.380 43107 R72HB2-N-H 1.779 119.411 7.380 61883 L73H-N-H 7.304 119.777 7.290 600035 L73H-F74N-H 7.299 115.168 7.736 32455 L73HA-N-H 3.945 119.777 7.290 225135 L73HB2-N-H 1.807 119.807 7.289 168951 L73HB3-N-H 1.223 119.777 7.290 182346 L73HD1-N-H 0.940 119.807 7.289 186323 L73HD2-N-H 0.596 119.777 7.290 70954 F74H-L73N-H 7.743 119.777 7.290 139161 F74H-N-H 7.736 115.168 7.736 40677 F74HB2-N-H 3.050 115.168 7.736 30987 F74HB3-N-H 2.506 115.086 7.737 32090 S82H-N-H 8.115 113.770 8.115 271408 S82HA-N-H 4.522 113.737 8.116 191133 D89HA-N-H 4.375 116.887 7.928 54739 D93H-N-H 8.709 122.766 8.709 259812 D93HA-N-H 4.665 122.782 8.707 174987 D93HB2-N-H 2.703 122.782 8.707 157279 I94H-N-H 7.228 122.237 7.219 354988 I94H-E95N-H 7.224 118.088 8.143 121868 I94HA-N-H 4.033 122.197 7.219 86204 I94HB-N-H 1.353 122.237 7.220 215225 I94HG2-N-H 1.090 122.172 7.221 247895 E95H-I94N-H 8.154 122.237 7.222 30208 E95H-N-H 8.144 118.088 8.143 959598 E95H-A96N-H 8.154 121.891 7.857 224387 E95HA-N-H 4.309 118.088 8.143 223039 E95HB2-N-H 2.321 118.088 8.143 391061 E95HB2-A96N-H 2.321 121.824 7.858 82429 E95HB3-N-H 1.804 118.088 8.143 321984 E95HB3-A96N-H 1.806 121.885 7.855 127106 E95HG2-N-H 2.211 118.088 8.143 317791 E95HG2-A96N-H 2.209 121.885 7.855 75248 A96H-E95N-H 7.868 118.123 8.144 212494 A96H-N-H 7.857 121.898 7.857 1261404 A96H-K97N-H 7.858 121.528 9.108 43545 A96HA-N-H 4.185 121.887 7.858 276833 A96HB-N-H 1.493 121.904 7.857 575500 A96HB-K97N-H 1.497 121.529 9.104 259339 K97H-A96N-H 9.108 121.885 7.855 61165 K97H-N-H 9.111 121.595 9.106 588022 K97HA-N-H 4.647 121.529 9.104 93743 K97HA-L98N-H 4.644 124.546 8.539 235182 K97HB2-N-H 2.123 121.529 9.104 130520 K97HB3-N-H 1.925 121.529 9.104 184960 L98H-K97N-H 8.545 121.528 9.108 41123 L98H-N-H 8.537 124.546 8.539 800117 L98HA-N-H 3.954 124.546 8.539 164418 L98HD1-N-H 0.710 124.546 8.537 132577 L98HG-N-H 1.716 124.546 8.539 192781 Q99H-L98N-H 9.701 124.546 8.537 55602 Q99H-N-H 9.707 117.907 9.703 185234 Q99H-D100N-H 9.704 118.097 6.961 128146 Q99HA-N-H 4.061 117.981 9.707 61765 Q99HB2-L98N-H 2.031 124.546 8.537 114814 Q99HB2-N-H 2.032 117.981 9.707 132020 Q99HB2-D100N-H 2.036 118.167 6.961 272297 Q99HG2-N-H 2.427 117.907 9.703 24454 D100H-Q99N-H 6.962 117.981 9.707 41811 D100H-N-H 6.967 118.097 6.961 984025 D100H-V101N-H 6.962 120.735 7.690 246786 D100HA-N-H 4.537 118.097 6.961 224319 D100HA-V101N-H 4.534 120.791 7.689 89728 D100HB2-N-H 3.044 118.097 6.961 280516 D100HB2-V101N-H 3.047 120.735 7.690 113384 D100HB3-N-H 2.728 118.097 6.961 236700 D100HB3-V101N-H 2.728 120.754 7.689 134665 V101H-D100N-H 7.700 118.097 6.961 285743 V101H-N-H 7.690 120.811 7.689 768091 V101H-A102N-H 7.701 120.550 8.314 78139 V101HA-N-H 3.668 120.771 7.688 172836 V101HG1-N-H 1.165 120.735 7.690 455265 V101HG1-A102N-H 1.166 120.550 8.314 117905 A102H-V101N-H 8.321 120.791 7.689 177958 A102H-N-H 8.316 120.550 8.314 448222 A102H-L103N-H 8.316 116.426 7.516 184221 A102HA-N-H 4.015 120.550 8.314 120188 A102HA-L103N-H 4.020 116.391 7.517 239916 A102HB-N-H 1.555 120.550 8.314 217851 L103H-N-H 7.517 116.437 7.516 1156576 L103HA-N-H 4.142 116.426 7.516 266543 L103HB2-N-H 1.788 116.391 7.517 555362 L103HD1-N-H 0.903 116.426 7.517 206740 L103HG-N-H 1.636 116.391 7.517 617661 L104H-L103N-H 8.053 116.427 7.516 209365 L104H-N-H 8.056 119.697 8.049 406920 L104H-Y105N-H 8.050 112.410 7.511 185753 L104HA-N-H 3.863 119.697 8.049 92559 L104HA-Y105N-H 3.866 112.442 7.509 142030 L104HB2-N-H 1.472 119.697 8.052 142592 L104HD1-N-H 1.025 119.697 8.049 135949 L104HD1-Y105N-H 1.028 112.442 7.509 151584 Y105H-N-H 7.511 112.410 7.511 795670 Y105HA-N-H 4.461 112.410 7.511 120986 Y105HB2-N-H 3.025 112.442 7.509 128363 Y105HB3-N-H 2.403 112.442 7.509 152668 Y105HB3-G106N-H 2.403 110.676 7.581 51005 Y105HD1-N-H 6.894 112.410 7.511 137196 Y105HE2-N-H 6.422 112.442 7.509 32390 G106H-N-H 7.578 110.702 7.579 861502 G106H-L107N-H 7.584 118.102 8.034 128289 G106HA2-N-H 3.905 110.702 7.577 492196 G106HA3-N-H 3.834 110.702 7.579 510853 L107H-G106N-H 8.040 110.676 7.581 192236 L107H-N-H 8.034 118.102 8.034 565155 L107HA-N-H 4.443 118.102 8.034 98811 L107HB2-N-H 1.469 118.102 8.034 273319 L107HD1-N-H 0.727 118.102 8.034 170173 D108H-N-H 8.542 121.187 8.542 988751 D108H-L109N-H 8.542 123.993 8.180 54968 D108HA-N-H 4.686 121.187 8.542 166565 D108HB2-N-H 2.790 121.218 8.541 252067 D108HB3-N-H 2.492 121.218 8.541 243885 L109H-N-H 8.186 123.993 8.180 865953 L109HA-N-H 3.898 123.993 8.181 158555 L109HG-N-H 1.667 123.993 8.180 315719 G110H-N-H 8.053 106.235 8.052 323599 G110HA2-N-H 3.823 106.235 8.052 191742 G110HA3-N-H 3.732 106.235 8.052 162510 E111H-N-H 8.386 121.143 8.387 1366193 E111HA-N-H 4.215 121.128 8.384 172154 E111HG2-N-H 2.211 121.128 8.384 164046 L112H-N-H 8.235 125.751 8.232 844483 L112H-E113N-H 8.232 122.205 8.557 48716 L112HA-N-H 4.604 125.869 8.233 136674 L112HB3-N-H 1.421 125.751 8.232 114013 L112HD1-N-H 0.952 125.751 8.232 100162 L112HD2-N-H 0.831 125.751 8.232 107643 L112HG2-N-H 1.630 125.751 8.232 305643 E113H-N-H 8.560 122.205 8.557 721058 E113HA-N-H 4.264 122.205 8.557 145965 E113HB2-N-H 2.126 122.205 8.557 125925 E113HB3-N-H 1.937 122.205 8.557 179792 E113HG2-N-H 2.372 122.205 8.557 150772 A114H-N-H 8.566 124.700 8.554 693542 A114HA-N-H 3.977 124.700 8.555 126777 A114HB-N-H 1.381 124.700 8.554 332747 D115H-N-H 8.340 114.599 8.337 1222804 D115HA-N-H 4.534 114.561 8.338 361024 D115HB2-N-H 2.747 114.586 8.338 219103 D115HB3-N-H 2.649 114.561 8.338 201410 A116H-N-H 7.317 121.601 7.319 2140536 A116HA-N-H 4.242 121.601 7.319 365824 A116HB-N-H 1.497 121.601 7.319 851634 K117H-N-H 9.249 123.389 9.256 535552 K117HA-N-H 4.866 123.403 9.247 92391 K117HB3-N-H 1.734 123.403 9.247 198757 K117HG2-N-H 1.442 123.403 9.247 198852 L118H-N-H 8.723 125.090 8.726 291077 L118HA-N-H 3.850 125.025 8.727 90828 L118HB2-N-H 1.986 125.025 8.727 174085 L118HB3-N-H 1.354 125.025 8.727 180964 L118HD1-N-H 0.913 125.025 8.727 104916 K119H-N-H 8.530 117.093 8.530 282629 K119HA-N-H 3.689 117.093 8.527 72542 K119HB2-N-H 1.865 117.093 8.527 151294 K119HG2-N-H 1.329 117.093 8.527 126409 D120H-K119N-H 6.782 117.055 8.528 46359 D120H-N-H 6.769 117.951 6.766 484729 D120HA-N-H 4.325 117.951 6.766 142443 D120HB2-N-H 2.661 117.951 6.766 245226 L121H-N-H 6.934 122.675 6.936 603578 L121HA-N-H 3.847 122.675 6.936 210445 L121HB2-N-H 1.592 122.695 6.936 307631 L121HB3-N-H 1.110 122.675 6.936 230684 L121HD1-N-H 0.762 122.695 6.936 134262 L121HD2-N-H -0.526 122.675 6.936 117656 V122H-L121N-H 8.070 122.731 6.936 135387 V122H-N-H 8.065 118.326 8.067 592095 V122HA-N-H 3.242 118.326 8.067 112121 V122HB-N-H 2.068 118.326 8.067 252739 V122HG1-N-H 0.989 118.326 8.067 527175 L123H-N-H 7.733 120.857 7.730 542139 L123HA-N-H 3.926 120.857 7.727 140714 L123HB2-N-H 1.626 120.882 7.730 529463 L123HG-N-H 1.533 120.857 7.730 293855 E124H-N-H 7.596 117.696 7.594 1063856 E124H-H125N-H 7.595 112.307 7.085 175085 E124HA-N-H 3.711 117.696 7.594 280498 E124HB2-N-H 1.866 117.699 7.593 420842 E124HB3-N-H 1.659 117.696 7.594 603954 H125H-E124N-H 7.093 117.699 7.593 146515 H125H-N-H 7.087 112.307 7.085 562282 H125H-L126N-H 7.093 116.568 8.557 142505 H125HB2-N-H 2.273 112.307 7.085 142920 H125HB3-N-H 1.316 112.307 7.085 149850 H125HD1-N-H 6.829 112.307 7.085 84950 L126H-H125N-H 8.562 112.307 7.085 148412 L126H-N-H 8.561 116.537 8.562 456015 L126H-G127N-H 8.560 108.807 7.691 308037 L126HA-N-H 4.594 116.568 8.560 117033 L126HB2-N-H 1.760 116.568 8.557 150159 L126HB3-N-H 1.516 116.568 8.557 176568 L126HD1-N-H 0.927 116.611 8.558 176750 G127H-L126N-H 7.698 116.568 8.560 216522 G127H-N-H 7.698 108.734 7.690 902750 G127H-E128N-H 7.695 115.401 8.350 92852 G127HA2-N-H 4.150 108.734 7.690 306043 G127HA3-N-H 3.852 108.734 7.690 424656 E128H-N-H 8.352 115.401 8.350 1208781 E128H-T129N-H 8.352 110.157 8.603 367081 E128HA-N-H 4.010 115.401 8.350 387653 E128HB2-N-H 2.070 115.401 8.350 306079 E128HB3-N-H 1.927 115.401 8.350 358935 E128HG2-N-H 2.264 115.401 8.350 314012 T129H-E128N-H 8.609 115.454 8.352 299333 T129H-N-H 8.605 110.239 8.605 2449592 T129HA-N-H 4.816 110.157 8.603 284214 T129HB-N-H 4.207 110.157 8.603 220748 T129HG1-N-H 0.911 110.214 8.604 285923 V131H-N-H 8.528 114.502 8.524 871354 V131H-L132N-H 8.528 122.132 8.031 45580 V131HA-N-H 4.369 114.502 8.524 134986 V131HB-N-H 2.076 114.560 8.523 185185 V131HG1-N-H 0.966 114.502 8.524 323675 V131HG2-N-H 0.869 114.502 8.524 408987 L132H-N-H 8.033 122.212 8.031 538652 D134H-N-H 8.285 121.267 8.280 576837 D134HA-N-H 4.920 121.303 8.282 90711 D134HB2-N-H 2.912 121.288 8.281 145269 D134HB3-N-H 2.690 121.267 8.280 104918 Y135H-N-H 8.562 114.447 8.560 321307 Y135HB2-N-H 2.842 114.447 8.563 47297 Y135HD1-N-H 6.914 114.447 8.560 67283 F136H-N-H 8.442 114.512 8.441 494538 F136HA-N-H 4.981 114.512 8.441 86866 F136HB3-N-H 2.957 114.512 8.442 102980 F136HD1-N-H 6.617 114.512 8.441 110549 E137H-N-H 8.940 122.212 8.940 472984 E137HA-N-H 5.495 122.212 8.943 57571 E137HA-W138N-H 5.504 124.966 9.147 242332 E137HA-W143N-H 5.504 126.202 8.490 36181 E137HB2-N-H 2.126 122.212 8.940 202125 E137HG2-N-H 2.293 122.212 8.940 85660 W138H-N-H 9.146 124.966 9.147 402597 W138HA-N-H 4.714 124.966 9.147 69792 W138HE1-N-H 10.142 124.966 9.147 72127 H139H-N-H 9.234 126.581 9.233 112143 H139HA-N-H 3.698 126.539 9.235 125047 H139HB2-N-H 3.294 126.522 9.236 29343 G140H-H139N-H 8.819 126.522 9.234 43259 G140H-N-H 8.824 102.983 8.821 743524 G140HA2-N-H 4.061 102.969 8.820 282256 L141H-G140N-H 7.456 102.942 8.822 132666 L141H-N-H 7.457 120.971 7.450 1189957 L141HA-N-H 4.604 120.992 7.451 188395 L141HB2-N-H 0.815 120.971 7.450 233342 L141HD1-N-H 0.654 120.971 7.450 256545 L141HD2-N-H -0.228 120.971 7.450 45214 L141HG-N-H 1.445 120.971 7.450 354312 Q142H-N-H 8.053 117.633 8.054 107789 Q142HB3-N-H 1.396 117.633 8.055 49830 Q142HG2-N-H 2.202 117.633 8.055 20052 W143H-N-H 8.493 126.202 8.490 265434 W143HA-N-H 4.589 126.202 8.490 58984 W143HB2-N-H 2.147 126.202 8.490 103431 W143HD1-N-H 6.949 126.202 8.490 113417 V144H-N-H 9.333 122.204 9.332 112341 V144HA-N-H 4.689 122.204 9.332 60656 V144HB-N-H 1.889 122.204 9.332 41528 V144HG1-N-H 0.755 122.204 9.332 47115 V144HG2-N-H 0.524 122.204 9.332 54982 V145H-N-H 9.354 126.844 9.354 184882 V145HA-N-H 3.768 126.844 9.354 42932 V145HB-N-H 2.391 126.844 9.354 53160 V145HG1-N-H 0.882 126.844 9.354 169569 A146H-N-H 8.232 133.524 8.232 69692 A146H-D147N-H 8.234 114.234 7.291 106055 A146HB-N-H 0.909 133.524 8.231 90886 D147H-N-H 7.301 114.234 7.292 494066 D147H-V148N-H 7.299 124.543 7.944 52690 D147HA-N-H 4.543 114.234 7.292 85033 D147HB2-N-H 2.500 114.234 7.291 57642 D147HB3-N-H 2.315 114.234 7.292 53889 V148H-N-H 7.944 124.543 7.944 1173506 V148HA-N-H 4.720 124.543 7.943 107765 V148HB-N-H 1.664 124.543 7.943 194492 V148HG1-N-H 0.606 124.543 7.943 311460 V149H-N-H 8.723 126.740 8.721 697208 V149HA-N-H 4.049 126.740 8.721 179100 V149HB-N-H 1.748 126.740 8.721 254948 D150HB2-N-H 2.839 130.296 9.171 65723 D150HB3-N-H 2.535 130.296 9.171 71372 W151H-N-H 7.931 108.143 7.930 701729 W151HA-N-H 3.882 108.143 7.931 442687 W151HB2-N-H 3.532 108.143 7.931 125347 K152H-N-H 7.814 120.684 7.800 1928756 K152HA-N-H 4.691 120.729 7.800 187665 K152HB2-N-H 1.778 120.684 7.800 678745 K152HG2-N-H 1.437 120.684 7.800 290593 V153H-N-H 8.513 123.826 8.508 1017815 V153HA-N-H 4.071 123.826 8.508 128356 V153HB-N-H 1.975 123.826 8.508 306469 V153HG1-N-H 1.066 123.826 8.508 477298 T154H-N-H 8.377 114.639 8.371 526981 T154HA-N-H 4.604 114.639 8.368 144279 T154HG1-N-H 1.077 114.639 8.368 208610 K155H-N-H 7.232 121.607 7.222 669540 K155HA-N-H 5.281 121.607 7.220 86157 K155HB2-N-H 1.354 121.607 7.222 183278 K155HG2-N-H 1.521 121.607 7.222 157605 I156H-N-H 9.053 124.502 9.047 277496 I156HA-N-H 5.248 124.502 9.048 234953 I156HB-N-H 1.968 124.502 9.047 72473 L158H-N-H 7.940 122.946 7.943 391953 L158HA-N-H 4.711 122.946 7.943 62488 L162H-N-H 7.955 121.077 7.961 213300 L162HA-N-H 4.112 121.077 7.961 37031 L162HB2-N-H 1.226 121.077 7.961 80155 L162HD1-N-H 0.655 121.077 7.962 31329 Y163H-N-H 7.867 120.491 7.861 549117 Y163HB2-N-H 2.823 120.491 7.862 96782 Y163HB3-N-H 2.673 120.491 7.861 115585 Y163HD1-N-H 6.867 120.608 7.863 55928 F164H-N-H 7.587 120.855 7.581 107336 Q165H-N-H 7.569 125.342 7.563 1823768 Q165HA-N-H 4.005 125.342 7.563 143132 Q165HB2-N-H 2.007 125.342 7.561 96732 Q165HB3-N-H 1.785 125.342 7.563 121424 ; loop_ _Spectral_dim.ID _Spectral_dim.Axis_code _Spectral_dim.Spectrometer_frequency _Spectral_dim.Atom_type _Spectral_dim.Atom_isotope_number _Spectral_dim.Spectral_region _Spectral_dim.Magnetization_linkage_ID _Spectral_dim.Under_sampling_type _Spectral_dim.Sweep_width _Spectral_dim.Sweep_width_units _Spectral_dim.Value_first_point _Spectral_dim.Absolute_peak_positions _Spectral_dim.Acquisition _Spectral_dim.Center_frequency_offset _Spectral_dim.Encoding_code _Spectral_dim.Encoded_reduced_dimension_ID _Spectral_dim.Entry_ID _Spectral_dim.Spectral_peak_list_ID 1 . . H 1 H . folded 13.9432 ppm . . . . . . 50166 1 2 . . N 15 N . folded 33 ppm . . . . . . 50166 1 3 . . H 1 H . folded 12.0126 ppm . . . . . . 50166 1 stop_ save_ save_spectral_peak_list_2_13C_NOESY_HSQC _Spectral_peak_list.Sf_category spectral_peak_list _Spectral_peak_list.Sf_framecode spectral_peak_list_2_13C_NOESY_HSQC _Spectral_peak_list.Entry_ID 50166 _Spectral_peak_list.ID 2 _Spectral_peak_list.Name '13C NOESY HSQC' _Spectral_peak_list.Sample_ID 1 _Spectral_peak_list.Sample_label $sample_1_P2MIN _Spectral_peak_list.Sample_condition_list_ID 3 _Spectral_peak_list.Sample_condition_list_label $sample_conditions_3_P2MIN_13C_labelled _Spectral_peak_list.Chem_shift_reference_ID . _Spectral_peak_list.Chem_shift_reference_label . _Spectral_peak_list.Experiment_ID 13 _Spectral_peak_list.Experiment_name '3D 1H-13C NOESY' _Spectral_peak_list.Experiment_class . _Spectral_peak_list.Experiment_type . _Spectral_peak_list.Number_of_spectral_dimensions 3 _Spectral_peak_list.Chemical_shift_list . _Spectral_peak_list.Assigned_chem_shift_list_ID 1 _Spectral_peak_list.Assigned_chem_shift_list_label $assigned_chemical_shifts_1_P2MIN_Assigned_Chemical_Shifts _Spectral_peak_list.Details . _Spectral_peak_list.Text_data_format text _Spectral_peak_list.Text_data ; Assignment w1 w2 w3 Data Height ?-?-? 23.165 1.777 1.093 72587788288 ?-?-? 23.165 4.175 1.093 87918051328 ?-?-? 23.165 4.627 1.093 65773363200 ?-?-? 25.844 2.098 1.424 23058337792 ?-?-? 21.175 0.815 1.101 108684288000 ?-?-? 21.175 1.804 1.101 27100700672 ?-?-? 18.522 0.815 1.385 12072660992 ?-?-? 18.522 0.962 1.385 19360956416 ?-?-? 18.522 1.951 1.385 40711884800 ?-?-? 18.522 2.130 1.385 35365404672 ?-?-? 18.522 2.655 1.385 19280068608 ?-?-? 18.522 3.991 1.385 226894872576 ?-?-? 18.522 4.543 1.385 28198590464 ?-?-? 19.807 4.386 0.885 31581077504 ?-?-? 19.807 2.103 0.885 73497403392 ?-?-? 22.726 4.002 0.239 6142094336 ?-?-? 22.219 0.768 -0.513 38518071296 ?-?-? 22.219 0.962 -0.513 18613219328 ?-?-? 22.219 1.104 -0.513 24622661632 ?-?-? 22.219 1.598 -0.513 22404165632 ?-?-? 22.219 1.930 -0.513 6983029760 ?-?-? 22.219 3.849 -0.513 29674090496 ?-?-? 22.219 6.852 -0.513 15627706368 ?-?-? 26.876 3.891 3.515 14835257344 ?-?-? 26.876 7.136 3.515 6138033152 ?-?-? 26.366 3.712 3.315 14028685312 ?-?-? 26.366 0.783 3.315 7757648384 ?-?-? 26.366 2.140 3.315 25427812352 ?-?-? 30.146 4.712 3.126 4049026048 ?-?-? 27.426 0.773 2.442 8248675328 ?-?-? 29.990 4.091 2.295 4545594368 ?-?-? 29.990 1.351 2.300 5401172480 ?-?-? 28.510 4.591 2.148 5142514176 ?-?-? 31.814 1.167 2.389 6631971840 ?-?-? 33.351 3.434 2.174 5533079552 ?-?-? 33.351 4.617 2.169 15545673728 ?-?-? 33.351 1.772 2.169 25994444800 ?-?-? 33.351 0.962 2.169 21162780672 ?-?-? 33.372 0.962 1.790 18801221632 ?-?-? 33.372 2.161 1.790 20766093312 ?-?-? 33.372 4.638 1.790 20127424512 ?-?-? 33.372 4.827 1.790 5212789248 ?-?-? 34.009 2.009 1.779 33704071168 ?-?-? 34.134 0.791 1.653 7792198656 ?-?-? 34.134 4.504 1.653 11799724032 ?-?-? 35.220 3.736 1.564 19447646208 ?-?-? 35.220 4.083 1.564 5531399168 ?-?-? 35.220 6.855 1.564 5415520256 ?-?-? 35.220 1.901 1.564 95929171968 ?-?-? 33.299 4.961 1.627 9736088576 ?-?-? 33.299 7.044 1.627 10810187776 ?-?-? 30.078 3.852 1.790 7742090240 ?-?-? 29.308 1.701 1.916 58258227200 ?-?-? 29.308 0.681 1.916 8276865024 ?-?-? 29.308 0.860 1.916 6997984256 ?-?-? 29.140 2.201 1.622 16498195456 ?-?-? 29.140 4.940 1.622 13213370368 ?-?-? 29.090 1.964 1.396 5887181824 ?-?-? 29.090 1.627 1.396 9069663232 ?-?-? 36.358 1.948 2.400 71188267008 ?-?-? 36.358 1.396 2.400 13658361856 ?-?-? 36.358 4.267 2.400 46985244672 ?-?-? 36.358 4.541 2.400 11195458560 ?-?-? 36.991 5.519 2.300 15418138624 ?-?-? 36.991 6.944 2.300 4918980608 ?-?-? 41.754 1.435 1.995 8726149120 ?-?-? 41.754 0.931 1.995 15459508224 ?-?-? 41.754 1.756 1.995 7479703552 ?-?-? 43.472 0.941 1.785 13980345344 ?-?-? 43.472 1.556 1.785 9983528960 ?-?-? 43.472 4.585 1.785 4022324992 ?-?-? 43.317 4.585 1.543 12223326208 ?-?-? 43.317 1.782 1.543 13434093568 ?-?-? 43.317 0.941 1.543 18296928256 ?-?-? 44.688 0.910 1.669 34937122816 ?-?-? 44.688 1.362 1.664 17395816448 ?-?-? 44.688 4.643 1.669 13891577856 ?-?-? 44.564 4.638 1.406 14100055040 ?-?-? 44.564 1.667 1.406 38884978688 ?-?-? 44.564 0.910 1.406 35240534016 ?-?-? 42.334 3.681 1.469 8632709120 ?-?-? 42.334 4.554 1.469 5500963328 ?-?-? 41.800 0.957 1.369 15432632320 ?-?-? 41.800 1.977 1.369 7075258368 ?-?-? 44.264 0.731 1.275 13389479936 ?-?-? 44.264 1.493 1.275 11487201280 ?-?-? 44.264 4.449 1.275 4966429184 ?-?-? 44.350 4.454 1.485 4752028672 ?-?-? 44.350 1.272 1.485 7325541376 ?-?-? 44.350 0.736 1.485 24012894208 ?-?-? 42.381 1.604 1.127 9557274624 ?-?-? 42.381 0.768 1.127 6869373440 ?-?-? 42.381 -0.516 1.127 12452587520 ?-?-? 42.381 3.860 1.127 9413017600 ?-?-? 42.443 4.133 1.259 12375617536 ?-?-? 42.443 6.894 1.259 4610402304 ?-?-? 42.443 1.477 1.259 15675887616 ?-?-? 42.443 1.020 1.259 9180761088 ?-?-? 42.443 0.631 1.259 22429929472 ?-?-? 42.381 -0.505 1.601 13494891520 ?-?-? 42.381 1.136 1.601 11264643072 ?-?-? 42.381 3.870 1.601 11488907264 ?-?-? 42.862 4.538 2.332 6805235712 ?-?-? 42.862 2.524 2.332 8985057280 ?-?-? 42.875 2.335 2.510 8583152128 ?-?-? 42.875 4.559 2.516 5526970368 ?-?-? 43.186 1.551 2.715 11626968064 ?-?-? 43.333 2.661 2.863 10084004864 ?-?-? 43.333 6.941 2.863 6159311360 ?-?-? 43.357 6.931 2.673 5052153344 ?-?-? 43.357 2.887 2.673 6756759040 ?-?-? 43.287 4.743 3.084 11078625280 ?-?-? 43.287 4.212 3.089 13001013248 ?-?-? 43.287 1.456 3.078 85416869888 ?-?-? 43.287 1.919 3.078 37574959104 ?-?-? 41.911 5.006 3.047 12470198272 ?-?-? 41.911 2.640 3.047 42161127424 ?-?-? 41.753 6.915 2.736 6737887744 ?-?-? 41.753 0.936 2.736 19735767040 ?-?-? 41.313 0.768 2.311 7897191424 ?-?-? 40.177 2.734 3.047 23980658688 ?-?-? 40.177 4.538 3.047 12134866944 ?-?-? 39.258 3.896 2.857 37388500992 ?-?-? 39.258 2.545 2.857 165453398016 ?-?-? 39.258 1.740 2.857 9461962752 ?-?-? 39.258 1.446 2.857 8473594880 ?-?-? 39.258 0.810 2.857 15752701952 ?-?-? 37.921 0.710 3.036 5119183872 ?-?-? 38.394 4.443 2.421 5056224256 ?-?-? 38.394 0.720 2.421 4028178944 ?-?-? 38.194 4.159 2.868 14857899008 ?-?-? 38.152 2.818 3.089 21852774400 ?-?-? 38.152 1.945 3.089 4191376128 ?-?-? 38.113 4.664 2.821 9196806144 ?-?-? 38.113 1.951 2.821 4367318016 ?-?-? 40.491 1.383 2.763 10487874560 ?-?-? 40.491 4.538 2.768 46358126592 ?-?-? 39.292 4.159 2.547 21499148288 ?-?-? 39.292 2.308 2.547 12868847616 ?-?-? 40.367 2.808 2.516 59620458496 ?-?-? 40.367 4.691 2.516 22828879872 ?-?-? 40.436 4.691 2.815 16731588608 ?-?-? 40.436 2.513 2.815 54791626752 ?-?-? 40.137 1.451 2.752 6999886336 ?-?-? 40.137 4.533 2.752 40698060800 ?-?-? 40.137 3.045 2.752 34093883392 ?-?-? 44.928 0.857 4.230 4731121152 ?-?-? 44.859 4.228 3.741 23572699136 ?-?-? 55.973 1.499 5.418 4540015616 ?-?-? 55.973 4.175 5.418 9527296000 ?-?-? 62.051 1.257 4.997 6652550144 ?-?-? 60.369 0.812 4.730 23266103296 ?-?-? 61.006 1.593 4.556 3274580224 ?-?-? 61.641 1.104 4.624 42547183616 ?-?-? 61.794 3.166 4.167 3680015360 ?-?-? 61.794 0.762 4.172 17229701120 ?-?-? 62.675 1.782 4.009 3406182912 ?-?-? 71.782 4.996 4.056 3660713984 ?-?-? 71.782 1.998 4.056 7342547968 ?-?-? 63.633 4.422 3.678 32866242560 ?-?-? 63.633 4.228 3.678 3116737024 ?-?-? 63.633 1.209 3.673 7164679680 ?-?-? 66.238 6.316 3.262 7323570176 ?-?-? 59.096 0.636 3.899 16609517568 ?-?-? 58.325 0.894 3.594 4339559424 ?-?-? 58.325 0.662 3.594 11668615168 ?-?-? 57.523 1.604 4.661 9811107840 ?-?-? 57.646 1.698 4.824 13392585728 ?-?-? 57.646 0.920 4.824 47726247936 ?-?-? 57.076 0.925 4.914 6146735104 ?-?-? 57.071 1.655 4.340 37075435520 ?-?-? 57.418 4.457 3.865 5148165120 ?-?-? 55.938 0.818 3.880 9213504512 ?-?-? 52.752 0.808 3.899 15806031872 ?-?-? 52.752 1.080 3.899 6044114944 ?-?-? 52.273 0.754 4.414 12250894336 ?-?-? 55.556 1.442 4.657 22093113344 ?-?-? 55.450 0.778 4.716 18242048000 ?-?-? 55.755 2.615 5.058 9913886720 ?-?-? 52.708 0.944 4.964 6015931392 ?-?-? 54.365 4.138 4.697 7216996352 ?-?-? 54.365 0.746 4.702 14401887232 ?-?-? 53.911 2.152 4.612 8597788672 ?-?-? 56.568 2.766 5.216 7456550400 ?-?-? 56.568 0.919 5.216 8682752000 ?-?-? 56.568 6.935 5.216 6112504832 ?-?-? 69.542 1.105 4.132 44996034560 ?-?-? 69.542 1.774 4.132 17992667136 ?-?-? 69.542 0.882 4.132 26814300160 ?-?-? 45.183 4.623 0.835 8139523584 ?-?-? 45.183 1.449 0.835 17409009664 ?-?-? 45.183 -0.239 0.835 7888817664 ?-?-? 58.197 0.939 3.855 30116438016 ?-?-? 58.197 -0.501 3.860 15481140224 ?-?-? 40.065 1.098 1.969 12158358528 ?-?-? 40.065 5.247 1.964 4769606656 ?-?-? 40.065 0.929 1.969 17944403968 ?-?-? 25.780 3.041 1.721 15255913472 ?-?-? 25.637 0.637 0.379 13028512768 ?-?-? 24.327 0.786 -0.517 44741136384 ?-?-? 24.327 1.603 -0.517 24986525696 ?-?-? 24.327 3.870 -0.517 14548428800 ?-?-? 24.327 0.949 -0.517 33781563392 ?-?-? 24.327 6.306 -0.517 8919388160 ?-?-? 24.327 6.811 -0.517 7210897408 ?-?-? 23.690 1.465 -0.225 25647419392 ?-?-? 23.927 0.692 -0.225 124102033408 ?-?-? 23.927 6.925 -0.225 14951174144 ?-?-? 23.927 4.618 -0.225 19698868224 ?-?-? 23.927 4.712 -0.225 29504204800 ?-?-? 26.864 0.702 1.469 76825903104 ?-?-? 26.864 -0.224 1.469 5772780032 ?-?-? 26.864 4.623 1.469 10220293120 ?-?-? 54.574 0.528 4.127 22464671744 ?-?-? 54.574 0.672 4.127 20253771776 ?-?-? 54.574 1.246 4.127 37896335360 ?-?-? 62.356 1.890 3.850 11117975552 ?-?-? 62.356 1.786 3.850 9754906624 ?-?-? 54.845 0.808 4.706 17450721280 ?-?-? 31.909 3.066 2.137 11675559936 ?-?-? 32.132 4.660 1.934 10173736960 ?-?-? 32.132 4.046 1.934 14793058304 ?-?-? 32.132 3.041 1.934 8585133056 ?-?-? 32.132 1.739 1.934 48245092352 ?-?-? 32.132 0.932 1.934 18112890880 ?-?-? 30.714 4.036 1.771 11120354304 ?-?-? 35.433 4.873 1.949 6927532032 ?-?-? 35.433 0.783 1.949 14598017024 ?-?-? 35.433 1.605 1.949 32900003840 ?-?-? 25.067 1.942 1.439 39674109952 ?-?-? 25.067 4.873 1.439 13846063104 ?-?-? 32.593 4.343 1.884 11182583808 ?-?-? 32.593 3.714 1.884 10122557440 ?-?-? 32.593 0.986 1.884 8841672704 ?-?-? 32.785 3.714 1.612 9155953664 ?-?-? 32.785 4.546 1.612 8870078464 ?-?-? 32.785 1.343 1.612 26027454464 ?-?-? 32.785 0.823 1.612 10454495232 ?-?-? 24.036 3.724 1.335 13585552384 ?-?-? 24.036 1.873 1.335 25485207552 ?-?-? 24.036 1.610 1.335 71532945408 ?-?-? 24.036 0.967 1.335 21853265920 ?-?-? 24.550 3.026 1.454 21579395072 ?-?-? 24.550 4.705 1.454 13940913152 ?-?-? 24.550 2.848 1.454 4946688000 ?-?-? 24.550 2.551 1.454 6593997824 ?-?-? 24.550 1.783 1.454 70001442816 ?-?-? 37.866 5.304 1.384 4685588480 ?-?-? 30.177 2.358 1.946 43386486784 ?-?-? 29.553 2.189 1.931 91631788032 ?-?-? 29.553 3.610 1.931 12001075200 ?-?-? 31.152 4.427 1.803 11799482368 ?-?-? 31.152 4.180 1.803 13062843392 ?-?-? 31.152 4.719 1.803 6172768256 ?-?-? 31.152 1.605 1.803 26457128960 ?-?-? 31.685 5.526 2.159 12536926208 ?-?-? 31.685 4.437 2.159 10115710976 ?-?-? 31.685 2.303 2.159 44334690304 ?-?-? 36.186 4.224 2.233 35182956544 ?-?-? 36.186 1.645 2.233 22837723136 ?-?-? 30.266 4.259 2.154 22558369792 ?-?-? 30.266 2.383 2.159 40988942336 ?-?-? 30.266 1.942 2.159 64104636416 ?-?-? 30.266 1.640 2.159 6429313024 ?-?-? 30.643 4.259 1.936 24953778176 ?-?-? 30.643 2.140 1.936 134245187584 ?-?-? 30.643 1.551 1.941 19622909952 ?-?-? 30.643 0.848 1.936 15626870784 ?-?-? 29.485 3.727 1.882 25877544960 ?-?-? 29.485 3.955 1.882 4929053696 ?-?-? 29.391 3.727 1.664 29603688448 ?-?-? 29.391 6.857 1.659 7978106880 ?-?-? 29.391 1.883 1.659 117730557952 ?-?-? 29.391 0.845 1.659 34094669824 ?-?-? 31.474 4.021 2.091 29461006336 ?-?-? 31.474 2.260 2.091 81706098688 ?-?-? 31.474 1.769 2.091 35736199168 ?-?-? 31.474 0.935 2.091 46929600512 ?-?-? 31.445 4.026 1.941 23989760000 ?-?-? 31.445 2.255 1.941 59239419904 ?-?-? 31.445 1.536 1.941 17515268096 ?-?-? 31.445 0.930 1.941 18902945792 ?-?-? 27.255 4.652 1.732 9324083200 ?-?-? 27.255 0.925 1.732 68079685632 ?-?-? 27.255 3.414 1.732 9388272640 ?-?-? 35.812 7.054 2.135 6784405504 ?-?-? 42.418 3.934 1.654 7345984512 ?-?-? 42.242 4.147 1.654 28221749248 ?-?-? 42.242 4.589 1.654 12392300544 ?-?-? 42.242 0.838 1.654 94272774144 ?-?-? 42.242 1.871 1.654 64219049984 ?-?-? 27.141 0.813 1.538 109010501632 ?-?-? 27.141 3.948 1.538 25007091712 ?-?-? 27.141 3.749 1.538 9940337664 ?-?-? 27.141 4.598 1.538 11351531520 ?-?-? 54.713 2.014 4.170 6866589696 ?-?-? 40.524 4.538 2.658 42771021824 ?-?-? 40.514 4.264 2.656 13931685888 ?-?-? 40.514 1.386 2.656 9329670144 ?-?-? 52.369 1.464 4.685 17835888640 ?-?-? 55.412 3.041 4.170 13741785088 ?-?-? 55.412 2.027 4.170 7934966272 ?-?-? 55.928 0.765 4.724 17351577600 ?-?-? 55.636 2.932 4.561 12133707776 ?-?-? 57.768 7.432 4.515 9794201600 ?-?-? 55.223 2.138 4.593 13411782656 ?-?-? 55.223 6.962 4.593 4096782336 ?-?-? 63.544 1.988 4.088 6736635904 ?-?-? 63.544 4.739 4.088 19359657984 ?-?-? 63.544 1.677 4.088 5658182144 ?-?-? 63.544 1.071 4.088 23637352448 ?-?-? 63.544 0.639 4.088 18926731264 ?-?-? 32.082 1.080 1.982 48844832768 ?-?-? 32.082 4.089 1.982 10798162944 ?-?-? 32.082 3.778 1.982 3509120000 ?-?-? 34.539 4.516 1.773 9498728448 ?-?-? 34.539 4.715 1.773 15008550912 ?-?-? 34.522 0.809 1.773 76576686080 ?-?-? 34.522 1.095 1.773 24816541696 ?-?-? 34.861 0.959 2.312 13049888768 ?-?-? 31.984 0.721 2.477 8285103104 ?-?-? 31.984 3.972 2.477 7551036416 ?-?-? 34.866 0.925 2.089 30626545664 ?-?-? 34.866 4.385 2.084 10513100800 ?-?-? 35.262 3.778 1.919 16985171968 ?-?-? 35.262 4.705 1.919 10698485760 ?-?-? 35.262 0.556 1.919 9565739008 ?-?-? 35.262 6.860 1.919 6861049344 ?-?-? 35.262 2.706 1.919 6095561728 ?-?-? 31.342 1.900 2.404 15604848640 ?-?-? 31.342 0.920 2.404 12910022656 ?-?-? 31.342 3.759 2.404 3456493824 ?-?-? 35.559 0.629 1.683 48852557824 ?-?-? 35.616 1.100 1.681 7348040704 ?-?-? 35.616 4.749 1.681 9813610496 ?-?-? 35.616 4.103 1.681 5236744192 ?-?-? 31.823 0.993 2.084 35598667776 ?-?-? 69.542 4.819 4.224 50141335552 ?-?-? 69.542 3.431 4.224 19673694208 ?-?-? 69.542 1.723 4.224 6690445312 ?-?-? 69.542 0.923 4.229 72275427328 ?-?-? 55.046 2.027 4.187 7102724096 ?-?-? 54.507 7.054 4.537 5664948224 ?-?-? 64.531 0.818 4.022 4644951040 ?-?-? 57.886 6.646 4.648 10250498048 ?-?-? 57.886 2.837 4.653 16635314176 ?-?-? 57.886 2.691 4.653 13467965440 ?-?-? 57.886 0.668 4.653 8889464832 ?-?-? 20.835 4.210 0.917 90678403072 ?-?-? 20.835 1.352 0.917 28784517120 ?-?-? 26.245 4.632 1.630 13087995904 ?-?-? 26.245 0.838 1.630 41738715136 ?-?-? 23.973 3.943 0.800 95341395968 ?-?-? 23.973 4.623 0.800 33970055168 ?-?-? 23.973 1.614 0.800 186659241984 ?-?-? 22.774 4.618 0.931 55507746816 ?-?-? 22.774 1.653 0.931 50643124224 ?-?-? 22.261 4.443 0.737 77947256832 ?-?-? 24.011 4.608 0.965 117644427264 ?-?-? 24.011 1.425 0.965 103722541056 ?-?-? 20.655 4.729 0.601 76647096320 ?-?-? 20.655 4.074 0.601 35069018112 ?-?-? 20.655 3.909 0.601 50804084736 ?-?-? 20.655 1.677 0.601 111251775488 ?-?-? 20.655 1.080 0.601 58905886720 ?-?-? 20.655 1.760 0.601 53899915264 ?-?-? 20.655 0.833 0.601 120687288320 ?-?-? 21.425 4.065 0.825 99462914048 ?-?-? 21.425 1.769 0.829 135764885504 ?-?-? 23.858 4.099 1.077 38713221120 ?-?-? 23.858 4.695 1.072 31010643968 ?-?-? 23.858 1.983 1.072 46952177664 ?-?-? 23.858 1.687 1.072 55327461376 ?-?-? 21.561 4.385 0.980 73420783616 ?-?-? 21.561 4.661 0.980 48680681472 ?-?-? 21.561 2.080 0.980 137558818816 ?-?-? 22.113 3.960 1.135 22352814080 ?-?-? 23.078 2.058 1.014 34460565504 ?-?-? 23.078 1.607 1.014 33813778432 ?-?-? 23.078 1.539 0.931 75382538240 ?-?-? 26.917 4.693 1.504 10512603136 ?-?-? 26.901 3.067 1.504 19355500544 ?-?-? 22.845 1.903 1.169 27251066880 ?-?-? 22.845 0.942 1.169 63113084928 ?-?-? 36.991 4.048 2.295 37561769984 ?-?-? 39.258 2.228 2.858 15834241024 ?-?-? 59.096 0.826 3.896 8074156544 ?-?-? 61.641 1.364 4.619 9512667136 ?-?-? 36.991 0.911 2.295 23358081024 ?-?-? 21.405 1.777 0.766 56649752576 ?-?-? 57.380 0.678 3.959 24680787968 ?-?-? 57.380 1.643 3.959 33880133632 ?-?-? 42.242 2.434 1.654 5518192128 ?-?-? 23.973 4.152 0.800 54717530112 ?-?-? 23.973 2.250 0.800 59019411456 ?-?-? 23.165 5.307 1.101 10993188864 ?-?-? 21.405 1.459 0.771 48511827968 ?-?-? 18.372 1.638 1.387 102918176768 ?-?-? 22.774 1.342 0.931 34415665152 ?-?-? 45.036 0.867 3.741 3556702208 ?-?-? 21.164 2.675 0.762 26057990144 ?-?-? 22.261 2.432 0.737 19714293760 ?-?-? 22.261 1.272 0.737 40308998144 ?-?-? 22.261 3.019 0.737 16323603456 ?-?-? 22.219 6.285 -0.515 9933588480 ?-?-? 42.242 4.329 1.659 22873079808 ?-?-? 22.774 3.286 0.931 -963078144 ?-?-? 21.425 2.577 0.825 19469873152 ?-?-? 18.522 2.408 1.383 18230177792 ?-?-? 22.261 6.908 0.737 15907759104 ?-?-? 54.471 7.323 3.996 4870730752 ?-?-? 20.693 3.536 0.604 26750482432 ?-?-? 24.034 4.026 0.798 94470078464 ?-?-? 23.973 2.085 0.798 65824391168 ?-?-? 60.285 2.099 3.913 21629538304 ?-?-? 21.482 1.959 0.769 25353244672 ?-?-? 23.858 3.895 1.072 13462650880 ?-?-? 23.858 2.061 1.072 24643022848 ?-?-? 23.973 2.691 0.798 29054218240 ?-?-? 24.034 3.856 0.798 46585061376 ?-?-? 21.555 4.826 0.977 25729593344 ?-?-? 20.857 5.261 0.919 6502929408 ?-?-? 25.067 4.278 1.436 10847038464 ?-?-? 21.356 4.700 0.829 18851196928 ?-?-? 23.973 4.817 0.800 19569840128 ?-?-? 21.482 3.135 0.776 12856504320 ?-?-? 70.053 0.935 4.161 14507512832 ?-?-? 58.220 4.679 4.425 8877766656 ?-?-? 55.755 1.250 5.060 5710300160 ?-?-? 55.017 6.909 4.323 4957191680 ?-?-? 52.369 2.500 4.686 32329422848 ?-?-? 52.369 0.925 4.686 31596670976 ?-?-? 57.768 0.722 4.514 11666008064 ?-?-? 55.017 2.331 4.325 16094283776 ?-?-? 57.673 6.902 4.517 13275377664 ?-?-? 52.396 0.736 4.441 41310720000 ?-?-? 54.366 3.048 4.709 11274904576 ?-?-? 54.366 1.574 4.705 20600074240 ?-?-? 54.366 2.000 4.709 14218739712 ?-?-? 64.531 4.556 4.024 29992159232 ?-?-? 64.519 4.285 4.024 6765539328 ?-?-? 64.519 3.859 4.024 62073323520 ?-?-? 55.005 4.705 4.425 15532253184 ?-?-? 55.005 1.669 4.187 5963415040 ?-?-? 45.008 2.869 4.378 4893067264 ?-?-? 55.933 1.733 4.714 19222149120 ?-?-? 61.404 4.201 4.617 22051971072 ?-?-? 54.546 1.936 5.318 6862949888 ?-?-? 51.664 7.453 4.973 6523298816 ?-?-? 51.664 4.045 4.975 3374910976 ?-?-? 51.664 2.713 4.975 3968302080 ?-?-? 60.285 6.993 3.912 10618092544 ?-?-? 60.250 3.761 4.020 7445265408 ?-?-? 60.250 4.579 4.020 4977999872 ?-?-? 55.475 3.058 4.831 6592986112 ?-?-? 54.510 5.316 4.665 9074683904 ?-?-? 60.130 1.801 4.032 5401919488 ?-?-? 60.130 0.888 4.034 20019732480 ?-?-? 55.997 0.746 4.318 13627305984 ?-?-? 53.176 3.058 4.176 4861750272 ?-?-? 55.608 2.707 4.656 5273366016 ?-?-? 55.608 0.739 4.654 7027860480 ?-?-? 59.165 1.564 4.066 33001353216 ?-?-? 57.115 2.450 4.532 6251243520 ?-?-? 57.127 0.922 4.535 19088162816 ?-?-? 57.006 3.937 4.562 46803697664 ?-?-? 57.006 2.402 4.562 4885968896 ?-?-? 55.764 4.437 4.007 4869306880 ?-?-? 55.764 0.726 4.007 16030406656 ?-?-? 57.418 1.645 3.865 37381263360 ?-?-? 57.418 0.726 3.865 50256429056 ?-?-? 57.418 -0.512 3.865 26555326464 ?-?-? 53.004 2.538 4.445 8956788736 ?-?-? 52.846 3.897 4.690 10002638848 ?-?-? 52.846 4.444 4.690 17159069696 ?-?-? 52.846 3.065 4.688 16616410112 ?-?-? 52.846 1.665 4.688 21662210048 ?-?-? 52.846 0.935 4.688 31596670976 ?-?-? 53.956 4.214 4.605 6570479616 ?-?-? 56.211 1.496 4.267 15843684352 ?-?-? 56.211 0.753 4.267 3517424896 ?-?-? 54.474 4.539 3.992 5299427328 ?-?-? 54.474 2.754 3.992 5121259008 ?-?-? 54.474 2.436 3.992 10665293824 ?-?-? 54.474 1.976 3.992 5358909952 ?-?-? 53.929 4.268 4.539 11738015744 ?-?-? 53.929 7.007 4.541 5902202880 ?-?-? 53.929 3.058 4.541 16923203584 ?-?-? 53.929 2.132 4.541 16055535616 ?-?-? 53.929 1.605 4.541 30584645632 ?-?-? 53.929 1.983 4.541 5670456320 ?-?-? 53.270 2.659 4.248 7214308864 ?-?-? 53.270 2.375 4.248 6065996288 ?-?-? 53.270 1.936 4.248 11889997824 ?-?-? 53.270 1.740 4.248 12180164608 ?-?-? 53.270 0.922 4.248 4306021376 ?-?-? 58.197 0.773 3.852 47958020096 ?-?-? 58.164 1.659 3.856 37411553280 ?-?-? 57.742 1.990 3.861 9181869056 ?-?-? 55.022 3.045 4.880 7722463232 ?-?-? 55.022 4.661 4.884 30113050624 ?-?-? 55.022 4.248 4.882 6556240896 ?-?-? 59.726 2.064 3.708 8211383296 ?-?-? 59.726 0.915 3.708 19137810432 ?-?-? 66.238 1.544 3.264 5457849856 ?-?-? 57.983 1.868 3.949 9212566528 ?-?-? 58.604 0.800 3.730 10628553728 ?-?-? 44.718 0.793 4.152 6215751680 ?-?-? 44.742 1.625 3.856 5473224192 ?-?-? 44.742 0.807 3.856 9786443776 ?-?-? 44.742 1.936 3.856 4361844736 ?-?-? 58.284 1.760 4.025 8597876736 ?-?-? 58.284 0.786 4.023 31649810432 ?-?-? 57.646 4.613 4.825 12453484544 ?-?-? 57.646 3.417 4.823 45144354816 ?-?-? 57.646 2.260 4.823 5991179264 ?-?-? 57.646 0.672 4.823 5765208064 ?-?-? 62.505 4.211 4.634 7737731072 ?-?-? 62.505 0.966 4.636 28538052608 ?-?-? 59.402 3.420 4.372 2855843840 ?-?-? 59.402 0.655 4.372 12603423744 ?-?-? 54.862 6.936 4.929 4275590656 ?-?-? 54.730 6.929 5.006 8413011456 ?-?-? 54.730 2.196 5.006 6242447360 ?-?-? 54.730 0.939 5.006 11367014400 ?-?-? 54.799 6.942 5.520 9380673536 ?-?-? 54.799 4.934 5.520 13761353728 ?-?-? 60.600 2.142 4.713 7962966016 ?-?-? 56.893 7.456 3.717 3443060224 ?-?-? 56.893 2.129 3.717 22184574976 ?-?-? 56.893 1.378 3.717 3357423360 ?-?-? 56.893 0.763 3.717 9078553600 ?-?-? 53.027 4.204 4.618 12315324416 ?-?-? 53.027 0.925 4.618 41299402752 ?-?-? 54.510 6.942 4.943 15628819456 ?-?-? 54.510 0.918 4.943 10936369152 ?-?-? 54.510 2.203 4.943 19087058944 ?-?-? 55.223 -0.218 4.592 6604701696 ?-?-? 65.157 5.239 3.783 5447369216 ?-?-? 51.723 1.527 4.191 3928356352 ?-?-? 55.523 6.929 4.558 4136780800 ?-?-? 55.523 1.973 4.558 6561848832 ?-?-? 60.419 4.096 4.734 18210203648 ?-?-? 60.419 6.097 4.734 8981587968 ?-?-? 60.419 6.652 4.734 4985800704 ?-?-? 60.419 1.067 4.734 20957638656 ?-?-? 60.419 3.880 4.734 4098251776 ?-?-? 61.501 1.074 4.054 12900732928 ?-?-? 61.501 1.392 4.056 5216886784 ?-?-? 54.788 1.084 5.277 4068062208 ?-?-? 55.573 3.802 5.241 4886657024 ?-?-? 55.573 1.402 5.241 7136048640 ?-?-? 55.573 1.070 5.241 17502466048 ?-?-? 55.573 0.888 5.239 26661079040 ?-?-? 57.026 3.575 4.002 10465122304 ?-?-? 57.026 2.818 4.002 4651102208 ?-?-? 57.050 1.702 4.539 30907330560 ?-?-? 30.955 4.020 1.939 26901016576 ?-?-? 30.955 4.020 1.939 26901016576 ?-?-? 22.297 1.507 0.738 100403265536 ?-?-? 57.050 1.702 4.539 30907330560 ?-?-? 30.955 4.020 1.939 26901016576 ?-?-? 41.407 4.577 1.612 8563269632 ?-?-? 56.857 4.622 4.210 15839590400 ?-?-? 25.165 1.725 1.433 135376027648 ?-?-? 27.113 3.051 1.385 11033036800 ?-?-? 30.587 4.190 1.809 19406733312 ?-?-? 21.164 2.675 0.762 26057990144 ?-?-? 22.297 1.507 0.738 100403265536 ?-?-? 18.249 1.023 0.777 122437828608 ?-?-? 20.437 4.411 1.192 18080489472 ?-?-? 21.164 2.675 0.762 26057990144 ?-?-? 22.297 1.507 0.738 100403265536 ?-?-? 40.617 4.681 2.818 22479034368 ?-?-? 41.101 0.942 2.800 3325063936 ?-?-? 40.617 4.681 2.818 22479034368 ?-?-? 34.431 4.077 1.759 13945055232 ?-?-? 33.938 4.539 1.455 3702492928 ?-?-? 54.834 1.693 4.885 48285741056 ?-?-? 63.614 4.211 3.770 4879589376 ?-?-? 63.614 1.669 3.770 4592100352 ?-?-? 63.614 1.939 3.772 3783534592 ?-?-? 31.079 7.463 3.044 3879593472 ?-?-? 31.079 1.598 3.044 2293161984 ?-?-? 54.507 2.720 4.536 43227602944 ?-?-? 54.507 0.732 4.534 30254444544 ?-?-? 52.708 4.715 4.962 3908334080 ?-?-? 52.708 1.341 4.964 6937832448 ?-?-? 52.708 1.550 4.964 7614338048 ?-?-? 32.437 4.546 1.635 14791053312 ?-?-? 33.299 3.951 1.633 4393806848 ?-?-? 33.299 2.876 1.629 9862105088 ?-?-? 33.299 1.280 1.631 27851382784 ?-?-? 35.812 6.317 2.131 2978006528 ?-?-? 35.812 1.354 2.136 17423564800 ?-?-? 35.812 0.746 2.136 13233904640 ?-?-? 30.177 4.667 1.946 5472675840 ?-?-? 30.177 1.544 1.946 20935024640 ?-?-? 30.177 0.739 1.946 9906085888 ?-?-? 30.177 2.091 1.946 152937250816 ?-?-? 30.177 1.767 1.946 117796708352 ?-?-? 36.295 4.505 2.070 6421314560 ?-?-? 36.295 1.882 2.070 57506840576 ?-?-? 36.295 0.699 2.070 14712599552 ?-?-? 25.637 1.185 0.382 13675839488 ?-?-? 25.637 6.919 0.382 3850571264 ?-?-? 55.755 1.611 5.056 6493146112 ?-?-? 36.145 2.115 1.876 35719589888 ?-?-? 36.145 1.608 1.876 14324114432 ?-?-? 36.145 3.812 1.876 4269365248 ?-?-? 36.145 4.421 1.876 8082795520 ?-?-? 36.145 4.725 1.876 6720494592 ?-?-? 61.698 0.776 4.727 10021021696 ?-?-? 31.823 4.400 2.084 14792504320 ?-?-? 62.182 2.102 4.398 4941207552 ?-?-? 62.182 7.186 4.398 7890522112 ?-?-? 21.701 7.186 1.200 9245247488 ?-?-? 29.308 1.540 1.917 28500590592 ?-?-? 52.369 7.287 4.685 8171837440 ?-?-? 52.369 4.934 4.687 10191493120 ?-?-? 52.369 1.939 4.687 16110711808 ?-?-? 38.152 2.456 3.089 5016400384 ?-?-? 38.152 3.065 3.089 56669298688 ?-?-? 55.017 4.093 4.322 12151118848 ?-?-? 55.017 3.045 4.324 5470227456 ?-?-? 55.017 1.807 4.324 18070921216 ?-?-? 55.017 1.226 4.324 7606283264 ?-?-? 55.017 0.753 4.324 30048313344 ?-?-? 57.006 0.705 4.561 6861793792 ?-?-? 61.046 4.079 4.335 6077609984 ?-?-? 31.814 3.741 2.390 5323469824 ?-?-? 58.297 1.584 4.081 27878148096 ?-?-? 58.297 4.505 4.081 4984454144 ?-?-? 29.476 2.314 2.055 51859505152 ?-?-? 29.476 4.079 2.055 35096481792 ?-?-? 60.463 7.169 5.354 4887449600 ?-?-? 60.463 0.942 5.354 6306121728 ?-?-? 71.782 0.949 4.056 12926990336 ?-?-? 22.845 2.727 1.171 22565689344 ?-?-? 22.845 2.423 1.171 13672217600 ?-?-? 55.450 4.174 4.712 4685544448 ?-?-? 55.450 3.065 4.712 10241308672 ?-?-? 34.009 4.519 1.775 17144524800 ?-?-? 34.009 4.059 1.775 12500352000 ?-?-? 34.009 3.423 1.775 6204561408 ?-?-? 34.009 3.045 1.775 15918471168 ?-?-? 34.009 1.091 1.775 29645920256 ?-?-? 34.009 0.786 1.775 71111680000 ?-?-? 34.134 7.054 1.651 7231991808 ?-?-? 34.131 3.058 1.651 10119307264 ?-?-? 62.366 4.701 4.175 7493953536 ?-?-? 62.366 1.544 4.173 8404341248 ?-?-? 62.366 0.989 4.173 12299658240 ?-?-? 37.271 4.410 1.885 5737376768 ?-?-? 37.271 1.010 1.885 13067142144 ?-?-? 52.521 4.694 4.437 6294976512 ?-?-? 52.521 2.849 4.437 3546647296 ?-?-? 52.521 1.185 4.437 18732384256 ?-?-? 20.446 6.912 1.191 8580689920 ?-?-? 20.446 1.490 1.191 10153801728 ?-?-? 20.446 0.942 1.191 19405115392 ?-?-? 52.273 4.701 4.416 5726768128 ?-?-? 52.273 3.843 4.416 4618973696 ?-?-? 52.273 1.780 4.416 4927449088 ?-?-? 22.553 4.823 1.259 5331614720 ?-?-? 22.553 6.912 1.259 11588920320 ?-?-? 22.553 3.626 1.259 10757969920 ?-?-? 22.553 2.849 1.259 9810665472 ?-?-? 22.553 2.659 1.259 276876192 ?-?-? 61.155 4.424 4.730 14969169920 ?-?-? 61.155 4.147 4.730 10632248320 ?-?-? 61.149 2.112 4.732 11637151744 ?-?-? 61.149 1.314 4.732 3210747392 ?-?-? 61.149 0.759 4.734 37192630272 ?-?-? 34.367 3.058 1.795 9523970048 ?-?-? 55.973 0.746 5.419 4943651328 ?-?-? 55.973 0.475 5.419 6758050304 ?-?-? 41.116 1.449 2.805 4052084736 ?-?-? 33.197 2.626 1.737 5268500992 ?-?-? 33.197 0.841 1.737 10484287488 ?-?-? 39.426 4.160 2.870 27269132288 ?-?-? 39.426 3.106 2.873 19619137536 ?-?-? 39.426 4.647 2.873 7854204416 ?-?-? 39.426 4.525 2.873 6533321728 ?-?-? 38.194 3.889 2.865 6944456192 ?-?-? 33.759 0.774 2.316 10712225792 ?-?-? 62.610 2.037 4.359 17551200256 ?-?-? 62.610 0.805 4.362 30367795200 ?-?-? 62.610 7.043 4.364 4441675776 ?-?-? 62.610 3.870 4.362 10997404672 ?-?-? 47.074 1.713 3.933 8805404672 ?-?-? 47.074 0.789 3.933 5198216192 ?-?-? 21.175 4.132 1.101 57869262848 ?-?-? 21.175 2.052 1.101 16150814720 ?-?-? 21.175 4.394 1.101 17704812544 ?-?-? 55.005 3.824 4.424 7034389504 ?-?-? 57.523 1.829 4.660 4211816448 ?-?-? 57.523 0.882 4.660 21921425408 ?-?-? 29.155 4.509 1.931 6373030912 ?-?-? 36.098 0.651 2.182 16830249984 ?-?-? 36.098 1.421 2.182 29429268480 ?-?-? 36.098 4.509 2.182 17394223104 ?-?-? 45.008 1.244 4.380 4363143168 ?-?-? 44.984 2.876 3.576 3781395968 ?-?-? 55.933 4.186 4.716 2773465600 ?-?-? 55.933 3.038 4.716 3672458240 ?-?-? 41.487 4.163 2.688 7735397376 ?-?-? 41.487 4.332 2.688 10259989504 ?-?-? 41.487 1.498 2.685 -1015181056 ?-?-? 41.487 0.928 2.688 15231600640 ?-?-? 61.878 1.629 5.001 10386612224 ?-?-? 22.301 4.633 0.932 52282798080 ?-?-? 22.301 3.808 0.932 18474188800 ?-?-? 22.301 1.567 0.932 60250382336 ?-?-? 54.140 2.272 4.739 7338678784 ?-?-? 54.140 6.778 4.739 3848075008 ?-?-? 57.076 0.608 4.914 6323170304 ?-?-? 61.698 1.825 4.726 7171709952 ?-?-? 61.404 2.110 4.685 4335527936 ?-?-? 61.404 0.778 4.685 17912770560 ?-?-? 34.861 6.423 2.316 6900477952 ?-?-? 34.861 4.282 2.316 6701436928 ?-?-? 34.861 2.025 2.316 26656587776 ?-?-? 34.861 1.663 2.316 7683922944 ?-?-? 21.887 6.824 0.940 26220314624 ?-?-? 21.887 2.880 0.940 20854534144 ?-?-? 21.887 2.695 0.940 25738620928 ?-?-? 21.887 1.571 0.940 58062585856 ?-?-? 54.546 4.960 5.317 7725206528 ?-?-? 54.546 2.719 5.317 5479887360 ?-?-? 54.546 1.563 5.317 18800037888 ?-?-? 54.546 1.371 5.317 18097020928 ?-?-? 23.220 7.024 1.558 16646799360 ?-?-? 23.220 3.789 1.558 7370867712 ?-?-? 23.220 3.419 1.558 6767795200 ?-?-? 23.220 3.065 1.558 4169793024 ?-?-? 23.220 1.964 1.561 15123746816 ?-?-? 54.317 3.065 4.906 7667557888 ?-?-? 54.317 4.521 4.906 12137402368 ?-?-? 54.317 0.924 4.906 10412855296 ?-?-? 31.495 4.367 1.658 3696219648 ?-?-? 29.115 0.616 2.190 4786315776 ?-?-? 28.919 2.172 1.779 35099869184 ?-?-? 28.919 2.349 1.779 24599711744 ?-?-? 28.919 1.455 1.779 58535698432 ?-?-? 28.919 4.829 1.779 5942579712 ?-?-? 25.844 4.636 1.425 15796439040 ?-?-? 25.844 2.410 1.422 4092172800 ?-?-? 25.844 1.748 1.425 101874040832 ?-?-? 55.475 3.905 4.832 5478375424 ?-?-? 58.996 3.982 3.738 11243700224 ?-?-? 58.996 1.887 3.738 47194349568 ?-?-? 58.996 0.824 3.738 12801296384 ?-?-? 41.258 3.905 1.720 18828279808 ?-?-? 22.726 0.847 0.239 15101922304 ?-?-? 22.726 4.598 0.239 3697605888 ?-?-? 22.726 7.039 0.239 9922002944 ?-?-? 28.707 1.436 2.062 24211333120 ?-?-? 61.794 4.663 4.172 11290185728 ?-?-? 61.794 6.620 4.172 4116540416 ?-?-? 61.794 2.222 4.172 6455908352 ?-?-? 61.794 1.837 4.172 15975911424 ?-?-? 61.794 1.590 4.172 10595620864 ?-?-? 61.794 0.989 4.172 20115660800 ?-?-? 62.356 2.391 3.851 4572677120 ?-?-? 58.043 3.747 4.005 10033347584 ?-?-? 41.706 4.001 1.931 4825480192 ?-?-? 41.706 1.706 1.933 16082479104 ?-?-? 41.706 1.205 1.933 4911607296 ?-?-? 41.706 0.812 1.933 14395172864 ?-?-? 41.718 3.932 1.646 34156967936 ?-?-? 41.718 0.812 1.646 79213469696 ?-?-? 41.718 4.332 1.646 21751089152 ?-?-? 61.006 6.812 4.557 3193263616 ?-?-? 61.006 0.766 4.554 3036860416 ?-?-? 62.675 0.797 4.005 4348291072 ?-?-? 30.078 0.728 1.792 10130366464 ?-?-? 57.050 1.702 4.539 30907330560 ?-?-? 44.979 1.879 3.748 4889904128 ?-?-? 29.568 4.226 1.962 56988336128 ?-?-? 31.046 4.051 2.074 25728192512 ?-?-? 31.046 0.947 2.074 37110288384 ?-?-? 33.399 7.056 1.777 4006072320 ?-?-? 21.164 2.675 0.762 26057990144 ?-?-? 33.399 7.056 1.777 4006072320 ?-?-? 22.297 1.507 0.738 100403265536 ?-?-? 22.297 1.507 0.738 100403265536 ?-?-? 34.431 4.077 1.759 13945055232 ?-?-? 33.840 2.908 1.487 3048719360 ?-?-? 39.365 2.853 2.549 140456951808 ?-?-? 34.521 8.476 2.300 3303489536 ?-?-? 23.260 2.711 1.561 29999415296 ?-?-? 23.220 0.955 1.558 40788316160 ?-?-? 54.510 2.484 4.665 392573440 ?-?-? 43.186 1.267 2.714 13899794432 ?-?-? 60.130 4.263 4.033 6788339712 ?-?-? 39.845 0.858 1.366 8990159872 ?-?-? 39.845 1.575 1.366 7028398080 ?-?-? 56.006 3.000 4.316 3379466240 ?-?-? 53.176 4.640 4.174 3272972032 ?-?-? 53.176 0.951 4.174 6508813824 ?-?-? 19.334 4.609 1.517 30310608896 ?-?-? 19.334 3.970 1.512 22548045824 ?-?-? 19.334 3.030 1.512 15787447296 ?-?-? 19.334 2.129 1.517 43449765888 ?-?-? 19.334 1.960 1.517 87548059648 ?-?-? 19.334 1.760 1.512 99394420736 ?-?-? 19.334 0.951 1.517 105262202880 ?-?-? 19.334 0.735 1.512 87912644608 ?-?-? 19.542 2.399 1.520 35775315968 ?-?-? 19.542 4.247 1.520 148614873088 ?-?-? 30.654 4.656 1.774 5917692928 ?-?-? 30.654 2.337 1.771 7484078080 ?-?-? 30.654 2.129 1.771 59132280832 ?-?-? 58.162 2.468 3.982 7448028160 ?-?-? 58.162 4.540 3.984 4664004608 ?-?-? 41.424 0.681 1.479 28636444672 ?-?-? 41.424 1.713 1.479 34257330176 ?-?-? 41.424 1.906 1.479 6215047680 ?-?-? 41.424 3.916 1.479 12695489536 ?-?-? 25.780 4.640 1.717 11019157504 ?-?-? 25.780 2.129 1.717 12660717568 ?-?-? 25.780 1.944 1.717 17632743424 ?-?-? 25.780 0.882 1.717 11323119616 ?-?-? 59.165 0.889 4.067 33388058624 ?-?-? 28.608 1.105 2.036 4634352128 ?-?-? 28.608 0.905 2.036 10214993920 ?-?-? 33.946 4.517 2.434 14711416832 ?-?-? 33.946 6.959 2.434 14469834752 ?-?-? 33.946 3.061 2.434 8796741632 ?-?-? 33.946 1.790 2.434 37205065728 ?-?-? 33.946 1.652 2.434 43802959872 ?-?-? 33.946 1.475 2.434 38326321152 ?-?-? 57.127 1.220 4.536 10940165120 ?-?-? 40.177 1.737 3.047 4705555456 ?-?-? 40.177 0.381 3.047 4092567552 ?-?-? 66.412 3.955 3.679 6142453760 ?-?-? 66.412 1.475 3.679 12534540288 ?-?-? 66.412 0.712 3.679 12346333184 ?-?-? 31.984 1.536 2.475 3786052096 ?-?-? 22.113 -0.220 1.135 15984796672 ?-?-? 22.113 6.897 1.135 27273396224 ?-?-? 55.764 1.174 4.008 8431636992 ?-?-? 17.958 4.463 1.569 12528674816 ?-?-? 17.958 2.461 1.569 17974009856 ?-?-? 17.958 2.029 1.569 17325144064 ?-?-? 17.958 0.905 1.569 47945682944 ?-?-? 17.958 0.720 1.569 39874535424 ?-?-? 57.272 3.916 4.144 13928008704 ?-?-? 57.272 1.382 4.144 5304146944 ?-?-? 42.431 4.548 1.820 10250791936 ?-?-? 42.431 0.912 1.818 33607168000 ?-?-? 42.334 0.708 1.468 60957962240 ?-?-? 57.911 5.407 4.459 4154746368 ?-?-? 37.921 7.201 3.035 9106933760 ?-?-? 37.921 4.174 3.040 10671407104 ?-?-? 37.921 4.559 3.040 19207393280 ?-?-? 25.844 8.033 1.427 3652798464 ?-?-? 57.911 0.741 4.457 9761975296 ?-?-? 21.385 8.701 0.763 2026858496 ?-?-? 63.614 7.168 3.770 4864878080 ?-?-? 29.140 1.457 1.621 22419279872 ?-?-? 29.140 7.041 1.624 9799925760 ?-?-? 41.487 2.720 2.305 6040590336 ?-?-? 27.664 2.288 2.855 8184002560 ?-?-? 21.701 2.105 1.206 10846627840 ?-?-? 18.522 3.029 1.387 9765989376 ?-?-? 66.268 3.834 3.265 3953666816 ?-?-? 31.342 0.809 2.403 10986988544 ?-?-? 37.866 2.504 1.384 3977154048 ?-?-? 54.308 2.131 4.606 15609645056 ?-?-? 55.223 3.791 4.595 4200711168 ?-?-? 54.713 7.011 4.169 8292938752 ?-?-? 54.713 6.808 4.171 5881373696 ?-?-? 31.495 3.715 1.658 4192870400 ?-?-? 61.006 2.690 4.555 3322960896 ?-?-? 22.794 0.724 1.215 44838268928 ?-?-? 55.608 3.063 4.654 6336621568 ?-?-? 32.132 1.462 2.132 19056398336 ?-?-? 59.165 4.538 4.068 4014646016 T2CA-HB-HA 62.182 4.227 4.399 70643400704 T2CA-HG1-HA 62.182 1.209 4.398 39781257216 T2CA-S3HB3-T2HA 62.182 3.690 4.401 1856796416 T2CG-HB-HG1 21.701 4.217 1.206 59051503616 T2CG-S3HA-T2HG1 21.448 4.422 1.202 38468321280 S3CA-T2HB-S3HA 58.220 4.196 4.425 25789440000 S3CA-HB2-HA 58.220 3.770 4.425 72624766976 S3CA-HB3-HA 58.220 3.700 4.425 72001855488 S3CB-HA-HB2 63.614 4.422 3.772 41621159936 E4CB-HA-HB2 30.177 4.274 1.946 46532431872 E4CG-HA-HG2 36.295 4.278 2.069 21223702528 E4CG-HB3-HG2 36.295 1.769 2.069 48869314560 W5CA-HB2-HA 57.768 3.055 4.514 33231468544 W5CA-HD1-HA 57.768 7.170 4.515 10096400384 W5CA-Q63HB3-W5HA 57.768 1.668 4.515 19333722112 W5CA-Q63HG2-W5HA 57.768 2.108 4.513 8849579008 W5CB-HA-HB2 31.079 4.515 3.044 3749685760 W5CB-HD1-HB2 31.079 7.193 3.044 4260305408 E6CA-W5HB2-E6HA 54.507 3.045 4.534 12395319296 E6CA-HB2-HA 54.479 1.605 4.534 42802225152 E6CA-HG2-HA 54.507 2.138 4.537 32846929920 E6CB-HA-HB2 33.299 4.532 1.631 23283376128 E6CB-HG2-HB2 33.299 2.132 1.627 24658026496 E6CG-HA-HG2 35.812 4.521 2.135 27163480064 E6CG-Hb1-HG2 35.812 1.625 2.136 46086746112 L7CA-HD2-HA 52.708 0.385 4.964 10480563200 L7CA-M61HA-L7HA 52.708 5.321 4.964 6694295552 L7CD-HA-HD2 25.637 4.945 0.380 5896764416 F8CA-HD1-HA 55.755 6.908 5.058 8083885056 F8CA-I9HA-F8HA 55.755 4.556 5.058 7053041664 F8CA-L67HB2-F8HA 55.755 1.692 5.056 6347633664 I19CA-HD1-HA 62.109 0.878 3.368 7173596160 I19CA-HD2-HA 62.109 0.657 3.368 6084712960 G20CA-HA3-HA2 44.928 3.755 4.247 22773235712 P22CA-HB2-HA 61.698 2.102 4.726 9203423232 P22CA-L23HA-P22HA 61.698 3.846 4.727 4740218880 P22CA-R24HB3-P22HA 61.698 1.689 4.727 5593693184 R24CB-HA-HB2 29.308 4.230 1.916 56010645504 R24CB-HD1-HB2 29.308 3.095 1.917 10374786048 N25CA-L23HA-N25HA 52.369 3.846 4.683 11847981056 N25CA-R24HB3-N25HA 52.369 1.682 4.687 21657735168 N25CA-HB2-HA 52.369 3.084 4.685 18548178944 N25CA-HB3-HA 52.369 2.808 4.685 40545505280 N25CA-L26HA-N25HA 52.369 4.326 4.686 10699638784 N25CA-L26HD1-N25HA 52.369 0.722 4.686 17980770304 N25CB-HA-HB2 38.152 4.674 3.089 8827934720 L26CA-L23HB2-L26HA 55.017 1.621 4.325 30705754112 L26CA-F27HA-L26HA 55.017 4.569 4.323 8386964992 F27CA-HB2-HA 57.055 2.984 4.560 42578960384 F27CA-HD1-HA 57.055 7.196 4.562 12650561536 F27CB-HA-HB2 37.636 4.566 2.967 17825062912 F27CB-HD1-HB2 37.636 7.204 2.963 8379173888 P29CA-HB2-HA 62.456 2.392 4.335 25154387968 P29CA-HB3-HA 62.456 1.882 4.335 32980447232 P29CA-HD2-HA 62.456 3.655 4.335 9426232320 P29CA-T32HG1-P29HA 62.456 1.167 4.335 8584733696 P29CB-HA-HB2 31.814 4.329 2.390 12841926656 P29CB-HB3-HB2 31.814 1.877 2.389 27385632768 E30CA-P29HA-E30HA 58.297 4.329 4.081 14633502720 E30CA-HB2-HA 58.297 2.031 4.081 71574274048 E30CA-HG2-HA 58.297 2.342 4.081 42376921088 E30CG-HA-HG2 36.052 4.073 2.332 33341620224 E30CG-HB2-HG2 36.052 2.027 2.332 131149668352 G31CA-HA3-HA2 45.143 3.799 4.484 25758943232 T32CA-HB-HA 60.463 4.059 5.354 17555824640 T32CA-HG1-HA 60.463 1.172 5.354 19172175872 T32CA-A62HA-T32HA 60.463 4.958 5.354 6089110528 T32CA-A62HB-T32HA 60.463 1.564 5.354 9431511040 T32CB-HA-HB 71.873 5.352 4.057 15458496512 T32CB-HG1-HB 71.782 1.172 4.056 20682846208 T32CB-A62HB-T32HB 71.782 1.567 4.056 10555019264 T32CG-HA-HG1 22.845 5.350 1.171 25493925888 T32CG-HB-HG1 22.845 4.059 1.171 32545382400 T32CG-A62HA-T32HG1 22.845 4.972 1.171 14902045696 T32CG-A62HB-T32HG1 22.845 1.557 1.171 47251144704 R33CA-HB2-HA 55.450 1.767 4.709 45891567616 R33CB-HA-HB2 34.009 4.701 1.775 28139882496 R33CB-HA-HB3 34.131 4.701 1.651 9722742784 R33CB-HG1-HB2 34.009 1.490 1.775 52780781568 R33CB-M61HG2-R33HB2 34.009 2.517 1.775 9392082944 I34CA-HB-HA 62.366 1.882 4.173 7890237440 I34CA-HD1-HA 62.366 0.786 4.173 9788985344 I34CB-R33HA-I34HB 37.271 4.708 1.885 4258944768 I34CB-HA-HB 37.271 4.178 1.885 4745411072 I34CB-HD1-HB 37.271 0.780 1.885 15908810752 I34CD-R33HA-I34HD1 18.284 4.701 0.780 15580598272 I34CD-HA-HD1 18.289 4.172 0.778 35661619200 I34CD-HB-HD1 18.390 1.876 0.776 56860438528 A35CA-R33HG2-A35HA 52.521 1.503 4.437 18481758208 A35CB-L7HD2-A35HB 20.446 0.381 1.191 7019268096 A35CB-HA-HB 20.437 4.411 1.192 18080489472 A35CB-C59HB3-A35HB 20.446 2.287 1.191 7921910272 A36CA-HB-HA 52.273 1.243 4.416 23349493760 A36CB-HA-HB 22.553 4.417 1.259 11664447488 V37CA-HB-HA 61.149 1.801 4.732 10676474880 V37CB-HA-HB 34.379 4.721 1.795 17057009664 V37CG-HA-HG1 21.385 4.735 0.763 72900878336 F38CA-HB2-HA 55.973 2.808 5.418 5929449472 F38CA-HB3-HA 55.973 2.609 5.419 4991933440 F38CA-HD1-HA 55.973 6.773 5.418 7695021568 R39CB-HA-HB2 33.197 4.519 1.737 11207558144 D40CA-HB2-HA 55.412 2.871 4.170 28854444032 D40CA-HB3-HA 55.412 2.548 4.171 13850557440 N41CA-HB2-HA 54.713 3.038 4.171 15305838592 N41CA-HB3-HA 54.713 2.866 4.168 19472277504 N41CB-D40HB3-N41HB3 38.194 2.556 2.868 17305356288 N41CB-HB2-HB3 38.194 3.034 2.868 41235013632 Q42CA-HG2-HA 54.366 2.298 4.709 7289581568 Q42CB-HA-HB2 32.228 4.717 2.046 11660242944 Q42CG-HA-HG2 33.759 4.717 2.316 14556899328 Q42CG-HB2-HG2 33.759 2.022 2.316 41640038400 S49CB-T50HG1-S49HB2 64.529 1.097 3.925 7339766272 T50CG-HB-HG1 21.175 3.865 1.101 48702959616 E51CA-HB2-HA 55.005 1.824 4.423 17765421056 E51CA-HB3-HA 55.005 1.601 4.423 13189611520 E51CA-HG2-HA 55.005 2.135 4.425 17145632768 E51CG-HA-HG2 36.248 4.409 2.131 29127196672 E51CG-HB3-HG2 36.248 1.600 2.129 43242323968 L52CA-HD1-HA 55.005 1.047 4.187 8621599744 L52CA-HD2-HA 55.005 0.770 4.187 30313795584 C53CA-HB2-HA 57.523 2.835 4.660 20388782080 C53CA-HB3-HA 57.523 2.720 4.660 21890314240 C53CB-HA-HB2 31.234 4.659 2.842 14647788544 C53CB-HA-HB3 31.202 4.656 2.726 12072105984 E54CA-HB2-HA 58.325 1.906 3.594 19831291904 E54CA-HG2-HA 58.325 2.176 3.594 12025839616 E54CB-HA-HB2 29.155 3.608 1.933 9909773312 E54CB-HG2-HB2 29.155 2.183 1.931 65129299968 E54CG-HA-HG2 35.856 3.606 2.181 24817131520 G55CA-HA2-HA3 44.901 4.375 3.578 25320527872 G55CA-HA3-HA2 45.008 3.585 4.380 30681702400 D56CA-HB2-HA 55.933 2.720 4.716 11816951808 D56CA-HB3-HA 55.933 2.294 4.714 8101259264 D56CB-HA-HB2 41.487 4.710 2.688 7189983232 D56CB-HA-HB3 41.313 4.702 2.308 5267619840 T57CA-HG1-HA 61.854 0.928 5.000 13587412992 T57CB-F38HA-T57HB 70.053 5.403 4.162 3823421184 T57CB-F38HB3-T57HB 70.053 2.623 4.162 8238115840 T57CB-F38HD1-T57HB 70.053 6.791 4.162 5118609920 T57CB-HA-HB 70.053 4.987 4.162 4968847360 T57CB-C59HB2-T57HB 70.053 2.855 4.162 7024966144 T57CG-HB-HG1 22.260 4.159 0.931 29693665280 L58CA-HB2-HA 54.140 1.971 4.739 16491757568 L58CA-HD1-HA 54.140 0.778 4.739 27818770432 C59CA-A36HB-C59HA 57.076 1.247 4.914 4024935424 C59CA-HB2-HA 57.076 2.861 4.919 4671822848 C59CA-HB3-HA 57.076 2.287 4.914 4876748288 C59CB-L7HD2-C59HB2 27.664 0.378 2.857 4714611200 C59CB-A36HB-C59HB2 27.664 1.246 2.857 6053915648 C59CB-HA-HB2 27.664 4.911 2.857 4132585728 C59CB-HA-HB3 27.644 4.925 2.287 3305090560 C59CB-HB2-HB3 27.644 2.861 2.287 4374666240 V60CA-I34HA-V60HA 61.404 4.171 4.685 13121207296 V60CA-HB-HA 61.404 2.274 4.685 6317366784 V60CA-HG1-HA 61.404 0.949 4.685 31634278400 V60CB-L58HD1-V60HB 34.861 0.762 2.318 10498041856 V60CB-HA-HB 34.861 4.690 2.316 9600178176 V60CG-I34HA-V60HG1 21.887 4.167 0.940 31331790848 V60CG-HA-HG1 21.887 4.675 0.940 53280899072 V60CG-HB-HG1 21.887 2.310 0.940 35660988416 M61CA-V60HA-M61HA 54.546 4.675 5.317 9022840832 M61CA-V60HG1-M61HA 54.522 0.949 5.320 7528662016 M61CA-HB2-HA 54.546 2.267 5.318 8887918592 A62CA-W5HD1-A62HA 51.664 7.178 4.973 12567209984 A62CA-T32HA-A62HA 51.664 5.353 4.976 7476807680 A62CA-T32HG1-A62HA 51.664 1.165 4.973 12734539776 A62CA-V60HG1-A62HA 51.664 0.949 4.975 5845563392 A62CA-HB-HA 51.664 1.550 4.973 23076798464 A62CB-T32HA-A62HB 23.220 5.353 1.558 16167310336 A62CB-T32HB-A62HB 23.220 4.059 1.558 18530490368 A62CB-T32HG1-A62HB 23.220 1.170 1.558 51252903936 A62CB-V60HB-A62HB 23.220 2.318 1.561 8574868480 A62CB-HA-HB 23.220 4.969 1.561 34557837312 Q63CA-HB3-HA 54.317 1.659 4.905 51912814592 Q63CA-HG2-HA 54.317 2.098 4.905 20474552320 Q63CB-HA-HB3 31.495 4.906 1.658 4935354368 Q63CB-HB2-HB3 31.495 2.079 1.658 13990086656 E64CA-HB2-HA 60.285 2.179 3.912 19708033024 E64CA-HG2-HA 60.285 2.342 3.912 11248370688 E64CA-L67HB2-E64HA 60.285 1.714 3.912 6684778496 E64CA-L67HB3-E64HA 60.296 1.477 3.913 16599832576 E64CA-L67HD1-E64HA 60.285 0.620 3.912 15161634816 E64CA-L67HD2-E64HA 60.285 0.229 3.908 4510717952 E64CB-Q63HA-E64HB2 29.115 4.898 2.189 6533014528 E64CB-HA-HB2 29.115 3.912 2.189 20974837760 R65CA-HB2-HA 57.450 1.887 4.216 57176453120 R65CA-HD2-HA 57.450 3.076 4.216 11956066304 R65CA-HG2-HA 57.450 1.442 4.216 18519017472 R65CA-D66HA-R65HA 57.450 4.829 4.218 4500078592 R65CB-HA-HB3 28.919 4.228 1.779 20736208896 R65CG-Q63HA-R65HG2 25.844 4.898 1.425 11899461632 R65CG-HA-HG2 25.844 4.228 1.424 11858910208 R65CG-HD2-HG2 25.844 3.071 1.424 42356719616 D66CA-T32HG1-D66HA 55.475 1.163 4.832 6327825408 D66CA-R65HA-D66HA 55.475 4.201 4.833 1681446144 D66CA-HB2-HA 55.475 2.720 4.831 29661194240 L67CA-HB2-HA 58.996 1.699 3.738 32937435136 L67CA-HD2-HA 58.996 0.225 3.738 9681605632 L67CA-HG-HA 58.996 1.594 3.738 35446755328 L67CB-HA-HB3 41.424 3.754 1.479 11239548928 L67CB-HD2-HB2 41.258 0.223 1.720 8557344768 L67CB-HD2-HB3 41.424 0.235 1.479 12770745344 L67CD-HA-HD2 22.726 3.743 0.239 25009029120 L67CD-HB2-HD2 22.726 1.710 0.239 23059468288 L67CD-HB3-HD2 22.726 1.455 0.239 46277214208 L67CD-HD1-HD2 22.726 0.626 0.239 52737720320 L67CD-HG-HD2 22.726 1.586 0.239 22893553664 E68CA-HB2-HA 60.250 2.064 4.020 46115409920 E68CB-HA-HB2 28.707 4.032 2.064 85633146880 S69CA-HB2-HA 61.794 3.896 4.167 26998939648 S69CB-HA-HB3 62.356 4.163 3.851 25551247360 L70CA-L67HG-L70HA 58.043 1.590 4.005 22167896064 L70CA-HD1-HA 58.043 0.759 4.008 27023863808 S71CA-HB2-HA 61.006 3.994 4.556 33387753472 S71CB-HA-HB2 62.675 4.564 4.004 21005871104 D93CA-HB2-HA 54.491 2.707 4.665 36232847360 D93CB-HA-HB2 43.037 4.664 2.718 23731048448 I94CA-HB-HA 60.130 1.354 4.034 15192590336 I94CA-HG12-HA 60.130 1.523 4.034 13401210880 I94CA-HG2-HA 60.130 1.084 4.034 16109693952 I94CB-L92HA-I94HB 39.845 4.625 1.366 3816691200 I94CB-HA-HB 39.845 4.032 1.366 5227065344 I94CB-HG2-HB 39.845 1.105 1.366 16814433280 E95CA-I94HG2-E95HA 56.006 1.105 4.316 10561918976 E95CA-HB2-HA 55.997 2.321 4.318 35694174208 E95CA-HB3-HA 55.997 1.807 4.318 35486973952 E95CB-HA-HB2 28.599 4.312 2.321 9443026944 E95CB-HB3-HB2 28.599 1.798 2.323 17864493056 A96CA-D93HB2-A96HA 53.176 2.700 4.176 4569994240 A96CA-HB-HA 53.176 1.496 4.176 59337379840 A96CA-K97HD2-A96HA 53.176 1.752 4.174 9038234624 A96CB-D93HB2-A96HB 19.334 2.699 1.512 32016816128 K97CA-HB2-HA 55.608 2.125 4.654 12358596608 K97CA-HD2-HA 55.608 1.753 4.656 27548160000 K97CB-HA-HB2 31.909 4.655 2.137 18227169280 K97CB-HD2-HB2 32.132 1.752 2.136 31372181504 L98CG-HB3-HG 25.780 1.447 1.716 46823694336 Q99CA-HB2-HA 59.165 2.037 4.066 58892496896 Q99CA-HG2-HA 59.165 2.429 4.066 25144821760 Q99CB-HA-HB2 28.608 4.055 2.036 46794899456 Q99CB-HG2-HB2 28.608 2.430 2.036 38079320064 Q99CG-HA-HG2 33.946 4.070 2.434 61093888000 Q99CG-HB2-HG2 33.946 2.037 2.434 137441673216 Q99CG-L103HD1-Q99HG2 33.946 0.905 2.434 54994796544 D100CA-HB2-HA 57.127 3.045 4.535 37990899712 D100CA-HB3-HA 57.127 2.734 4.535 31863287808 V101CA-HB-HA 66.269 2.472 3.681 10482877440 V101CA-HG1-HA 66.418 1.165 3.681 38377041920 V101CA-Y105HD1-V101HA 66.412 6.897 3.679 7071726080 V101CA-Y105HE2-V101HA 66.412 6.427 3.679 4434843648 V101CB-HA-HB 31.984 3.677 2.475 4964171776 V101CB-HG1-HB 31.984 1.167 2.475 26185138176 V101CG-HA-HG1 22.113 3.677 1.135 28808017920 V101CG-HB-HG1 22.113 2.471 1.135 41815470080 A102CA-HB-HA 55.764 1.557 4.007 43849023488 A102CB-V101HG1-A102HB 17.958 1.136 1.569 68289048576 A102CB-HA-HB 17.958 4.032 1.569 103418724352 L103CA-HA-L104HA 57.418 4.140 3.865 11286493184 L103CA-HB2-HA 57.272 1.787 4.143 36949991424 L103CA-HD1-HA 57.272 0.897 4.144 52389326848 L103CA-HG-HA 57.272 1.652 4.143 33012801536 L103CB-HA-HB2 42.431 4.140 1.818 21581303808 L104CA-HB2-HA 57.418 1.476 3.865 29942276096 L104CA-HD1-HA 57.418 1.021 3.865 43967348736 L104CB-HA-HB2 42.334 3.881 1.469 22222419968 L104CB-HD1-HB2 42.334 1.024 1.468 52063191040 L104CB-Y105HD1-L104HB2 42.334 6.901 1.471 7357212672 Y105CA-HB2-HA 57.911 3.031 4.458 15640301568 Y105CA-HB3-HA 57.911 2.409 4.458 10446565376 Y105CA-HD1-HA 57.911 6.899 4.458 17418272768 Y105CA-HE2-HA 57.911 6.425 4.458 4822187008 Y105CB-HB3-HB2 37.921 2.410 3.040 7317149184 Y105CB-HD1-HB2 37.921 6.893 3.035 4582213632 Y105CB-HD1-HB3 38.394 6.893 2.421 3048057600 L107CA-HB2-HA 53.004 1.476 4.445 24591945728 L107CA-HB3-HA 53.004 1.253 4.445 17647206400 L107CA-HD1-HA 53.004 0.726 4.445 47797821440 D108CA-HB2-HA 52.846 2.795 4.688 41893060608 D108CA-HB3-HA 52.846 2.497 4.688 32329422848 L109CA-HB2-HA 52.752 1.632 3.901 13145110528 E111CA-HB2-HA 56.618 1.929 4.221 91388936192 E111CA-HG2-HA 56.618 2.206 4.224 49403043840 L112CA-HB2-HA 53.956 1.638 4.605 26393640960 L112CA-HD1-HA 53.956 0.949 4.605 64040820736 E113CA-HB2-HA 56.211 2.132 4.267 54185213952 E113CA-HB3-HA 56.211 1.936 4.267 65199136768 E113CA-HG2-HA 56.211 2.375 4.267 48671035392 A114CA-HB-HA 54.474 1.381 3.992 116214841344 D115CA-HB2-HA 53.929 2.747 4.541 52369813504 D115CA-HB3-HA 53.929 2.653 4.541 43019444224 A116CA-HB-HA 53.270 1.510 4.248 102251577344 K117CA-HB2-HA 55.022 1.922 4.882 20504920064 K117CA-HG2-HA 55.022 1.442 4.882 26966278144 K119CA-HB2-HA 59.726 1.868 3.708 20948162560 K119CA-HB3-HA 59.726 1.605 3.708 28012605440 K119CA-HG2-HA 59.726 1.327 3.708 18613067776 D120CA-HB2-HA 57.071 2.666 4.341 55488401408 L121CA-HB2-HA 57.742 1.598 3.861 39252643840 L121CA-HD1-HA 57.742 0.759 3.861 49533734912 L121CA-HD2-HA 57.742 -0.525 3.861 25936138240 V122CA-HB-HA 66.238 2.071 3.264 4248837376 V122CA-HG1-HA 66.238 0.989 3.264 34684583936 L123CA-HB2-HA 57.983 1.625 3.949 34968473600 L123CA-HD1-HA 57.983 0.800 3.949 41398722560 E124CA-HB2-HA 58.604 1.868 3.730 46136459264 E124CA-HB3-HA 58.604 1.652 3.730 40081379328 H125CA-HB2-HA 58.586 2.274 4.082 25575583744 H125CA-HB3-HA 58.586 1.314 4.082 15166882816 H125CA-HD1-HA 58.586 6.831 4.082 6318915584 L126CA-HB3-HA 54.308 1.517 4.607 26567372800 L126CA-HD1-HA 54.308 0.928 4.607 50461536256 G127CA-HA2-HA3 44.742 4.154 3.856 34140446720 G127CA-HA3-HA2 44.718 3.856 4.152 35612794880 E128CA-HB3-HA 58.284 1.936 4.025 30065770496 E128CA-HG2-HA 58.284 2.267 4.025 26218283008 T129CA-HB-HA 57.646 4.214 4.825 38349877248 P130CA-HB2-HA 62.505 2.156 4.634 23478788096 P130CA-HB3-HA 62.557 1.772 4.635 26776877056 P130CA-HD2-HA 62.505 3.427 4.636 10022135808 V131CA-HB-HA 59.402 2.088 4.372 26199095296 V131CA-HG1-HA 59.402 0.962 4.372 42482692096 F136CA-HB2-HA 54.730 3.075 5.006 24395737088 F136CA-HB3-HA 54.730 2.960 5.006 21157408768 F136CA-HD1-HA 54.730 6.625 5.006 10515037184 E137CA-HB2-HA 54.799 2.142 5.520 27209981952 W138CA-HB2-HA 60.600 3.089 4.713 21275897856 W138CA-HD1-HA 60.600 7.504 4.713 12765803520 H139CA-HB2-HA 56.893 3.298 3.717 29935409152 G140CA-HA2-HA3 45.670 4.062 3.635 28946804736 G140CA-HA3-HA2 45.670 3.630 4.059 31710689280 L141CA-HD1-HA 53.027 0.668 4.618 37668298752 L141CA-HG-HA 53.027 1.446 4.618 36500881408 Q142CA-E137HA-Q142HA 54.510 5.516 4.943 13932511232 Q142CA-HB3-HA 54.510 1.405 4.943 16806453248 V145CA-HG1-HA 64.968 0.879 3.786 29135097856 A146CA-HB-HA 51.723 0.905 4.191 7670787584 D147CA-HB2-HA 55.523 2.514 4.558 9522916352 V148CA-HB-HA 60.419 1.676 4.734 15089893376 V148CA-HG1-HA 60.419 0.607 4.734 39646388224 V149CA-HB-HA 61.501 1.750 4.056 15180225536 V149CA-HG1-HA 61.501 0.817 4.056 80618160128 D150CA-HB2-HA 55.938 2.845 3.882 36288937984 D150CA-HB3-HA 55.938 2.541 3.882 31368695808 W151CA-HB2-HA 59.096 3.544 3.893 19824300032 W151CA-HD1-HA 59.096 7.139 3.894 4166660864 K152CA-HB2-HA 54.739 1.770 4.705 56500977664 K152CA-HG2-HA 54.739 1.439 4.705 33063346176 I156CA-HB-HA 55.573 1.970 5.239 5254853632 Q165CA-HB2-HA 57.026 2.012 4.003 28403744768 Q165CA-HB3-HA 57.026 1.789 4.003 31160309760 ; loop_ _Spectral_dim.ID _Spectral_dim.Axis_code _Spectral_dim.Spectrometer_frequency _Spectral_dim.Atom_type _Spectral_dim.Atom_isotope_number _Spectral_dim.Spectral_region _Spectral_dim.Magnetization_linkage_ID _Spectral_dim.Under_sampling_type _Spectral_dim.Sweep_width _Spectral_dim.Sweep_width_units _Spectral_dim.Value_first_point _Spectral_dim.Absolute_peak_positions _Spectral_dim.Acquisition _Spectral_dim.Center_frequency_offset _Spectral_dim.Encoding_code _Spectral_dim.Encoded_reduced_dimension_ID _Spectral_dim.Entry_ID _Spectral_dim.Spectral_peak_list_ID 1 . . C 13 C . folded 11 ppm . . . . . . 50166 2 2 . . H 1 H . folded 80 ppm . . . . . . 50166 2 3 . . H 1 H . folded 10.77 ppm . . . . . . 50166 2 stop_ loop_ _Spectral_peak_software.Software_ID _Spectral_peak_software.Software_label _Spectral_peak_software.Method_ID _Spectral_peak_software.Method_label _Spectral_peak_software.Entry_ID _Spectral_peak_software.Spectral_peak_list_ID 2 $software_3_SPARKY . . 50166 2 stop_ save_ save_theoretical_heteronucl_NOEs_1_600NOE _Theoretical_heteronucl_NOE_list.Sf_category theoretical_heteronucl_NOEs _Theoretical_heteronucl_NOE_list.Sf_framecode theoretical_heteronucl_NOEs_1_600NOE _Theoretical_heteronucl_NOE_list.Entry_ID 50166 _Theoretical_heteronucl_NOE_list.ID 1 _Theoretical_heteronucl_NOE_list.Name 600NOE _Theoretical_heteronucl_NOE_list.Sample_condition_list_ID 1 _Theoretical_heteronucl_NOE_list.Sample_condition_list_label $sample_conditions_1_P2MIN_15N_labelled _Theoretical_heteronucl_NOE_list.Spectrometer_frequency_1H 600 _Theoretical_heteronucl_NOE_list.Heteronuclear_NOE_val_type 'relative intensities' _Theoretical_heteronucl_NOE_list.NOE_ref_val 0 _Theoretical_heteronucl_NOE_list.NOE_ref_description . _Theoretical_heteronucl_NOE_list.Details . _Theoretical_heteronucl_NOE_list.Text_data_format text _Theoretical_heteronucl_NOE_list.Text_data ; # Parameter description: The steady-state NOE value. # # mol_name res_num res_name spin_num spin_name value error P2MIN 1 M 1 N None None P2MIN 2 T 2 N None None P2MIN 3 S 3 N 0.408168332766216 0.0516520117506673 P2MIN 4 E 4 N 0.550105051612314 0.0258164821227176 P2MIN 5 W 5 N -0.0747271266793719 0.0410648640017304 P2MIN 6 E 6 N 1.01138780197346 0.0786396467295454 P2MIN 7 L 7 N 0.724954926437193 0.0441975837674569 P2MIN 8 F 8 N 0.914835093208187 0.0918748972010286 P2MIN 9 I 9 N 1.46968280227289 0.332434536301459 P2MIN 10 Y 10 N 0.862141272702066 0.0594910927268981 P2MIN 11 K 11 N None None P2MIN 12 L 12 N 0.753430708073777 0.0330542031634837 P2MIN 13 K 13 N None None P2MIN 14 A 14 N None None P2MIN 15 D 15 N None None P2MIN 16 K 16 N None None P2MIN 17 W 17 N None None P2MIN 18 C 18 N None None P2MIN 19 I 19 N 0.867713467522097 0.0473931155619661 P2MIN 20 G 20 N 0.923610757398258 0.0901365757003844 P2MIN 21 E 21 N 0.954480980012895 0.0370779515871281 P2MIN 22 P 22 N None None P2MIN 23 L 23 N 0.677296801300729 0.033701189745183 P2MIN 24 R 24 N 0.813686559572059 0.055001716174675 P2MIN 25 N 25 N 0.753482538383533 0.0289583591492696 P2MIN 26 L 26 N 0.746898938245744 0.0333227440699607 P2MIN 27 F 27 N 0.912415163941765 0.0630270191606307 P2MIN 28 M 28 N 0.712101018295606 0.0336290535790868 P2MIN 29 P 29 N None None P2MIN 30 E 30 N 0.7937323912025 0.0426072777486837 P2MIN 31 G 31 N 0.915560540911074 0.0732252154841383 P2MIN 32 T 32 N 0.8772284673331 0.0448431226868174 P2MIN 33 R 33 N 0.67945294744036 0.0249795248583057 P2MIN 34 I 34 N 0.992168811937578 0.0521498191152079 P2MIN 35 A 35 N 0.898083918928079 0.0789617813764811 P2MIN 36 A 36 N 0.997934768731648 0.0551703679576083 P2MIN 37 V 37 N 0.71020113779374 0.0469393407735712 P2MIN 38 F 38 N 0.903080922475033 0.0901705442691541 P2MIN 39 R 39 N 0.700064635743566 0.0539844676073872 P2MIN 40 D 40 N 0.675249979215636 0.0474222866805833 P2MIN 41 N 41 N 1.03926127104834 0.0814737861031112 P2MIN 42 Q 42 N 0.978802240413615 0.0522503574530008 P2MIN 43 L 43 N 0.873802895666369 0.0283953650177034 P2MIN 44 L 44 N 0.95513108134094 0.115230151418209 P2MIN 45 H 45 N 0.86525444259188 0.0489955507900511 P2MIN 46 P 46 N None None P2MIN 47 S 47 N 0.873846529558498 0.120460629589472 P2MIN 48 G 48 N None None P2MIN 49 S 49 N 0.793225983162265 0.0478412336306799 P2MIN 50 T 50 N 0.844641439165626 0.0316079498240142 P2MIN 51 E 51 N 0.77734342755392 0.0388338216291258 P2MIN 52 L 52 N 0.897101189943634 0.0625016519705376 P2MIN 53 C 53 N 0.881930419010421 0.0385759940092716 P2MIN 54 E 54 N 0.716499992319155 0.0491343545085135 P2MIN 55 G 55 N 0.926362673870979 0.0862609683529049 P2MIN 56 D 56 N 0.650944086651054 0.0206403165566622 P2MIN 57 T 57 N 0.948399688599906 0.0785812702186835 P2MIN 58 L 58 N 0.785722831846306 0.0565166406747933 P2MIN 59 C 59 N 0.795479037046074 0.033775510375684 P2MIN 60 V 60 N 0.923339321856594 0.0804772015956116 P2MIN 61 M 61 N 0.721705753332209 0.0540982136297206 P2MIN 62 A 62 N 0.812284320069018 0.045153533552197 P2MIN 63 Q 63 N 0.784922579154148 0.0611098220632476 P2MIN 64 E 64 N 0.714442626860458 0.0214665094535864 P2MIN 65 R 65 N 0.812134616834644 0.0336735550943678 P2MIN 66 D 66 N 0.79841582788558 0.0287697860194147 P2MIN 67 L 67 N 0.835180829052231 0.0266505019689028 P2MIN 68 E 68 N 0.630737757320036 0.0462401605448341 P2MIN 69 S 69 N 0.861602263397083 0.0358959620686097 P2MIN 70 L 70 N 0.407307756569433 0.0323490670840826 P2MIN 71 S 71 N 0.798697278406852 0.0340519938896348 P2MIN 72 R 72 N 0.729163813957734 0.0734352874119625 P2MIN 73 L 73 N 0.736189647672901 0.0342522585864279 P2MIN 74 F 74 N 0.942989627510091 0.0913004015022672 P2MIN 75 S 75 N None None P2MIN 76 E 76 N None None P2MIN 77 A 77 N 0.623776042789975 0.0377660779325227 P2MIN 78 P 78 N None None P2MIN 79 E 79 N None None P2MIN 80 K 80 N 0.33007628979411 0.0266597972683399 P2MIN 81 A 81 N 0.780377429509992 0.0564261243354598 P2MIN 82 S 82 N 0.809977835524304 0.0639309844085826 P2MIN 83 L 83 N None None P2MIN 84 A 84 N 0.751306877585345 0.0422362037900142 P2MIN 85 R 85 N 0.763102070802149 0.0600680063202804 P2MIN 86 F 86 N 0.69150402347397 0.0562146221596181 P2MIN 87 F 87 N 0.722573694298636 0.0803708772610199 P2MIN 88 G 88 N None None P2MIN 89 D 89 N 0.512163102933864 0.0581037897495044 P2MIN 90 F 90 N 2.7568135220283 0.762584981119854 P2MIN 91 F 91 N 0.678049741340881 0.0651328446643643 P2MIN 92 L 92 N 0.539219056130341 0.101532976401544 P2MIN 93 D 93 N 0.875677110693124 0.0390417583970861 P2MIN 94 I 94 N 0.665609517583433 0.0337490320937822 P2MIN 95 E 95 N 0.746937244922107 0.0236299307528267 P2MIN 96 A 96 N 0.732562758294293 0.0181591387811448 P2MIN 97 K 97 N 0.800266215200003 0.0267828338322618 P2MIN 98 L 98 N 0.798861314927412 0.0160903982790532 P2MIN 99 Q 99 N 0.888303247125652 0.0633161547657181 P2MIN 100 D 100 N 0.819201329592584 0.0256239145778285 P2MIN 101 V 101 N 0.704073610912947 0.0177916729521685 P2MIN 102 A 102 N 0.762818027995693 0.0402412528834013 P2MIN 103 L 103 N 0.689084167216945 0.0246747329290955 P2MIN 104 L 104 N 0.671208121072398 0.0465753362813919 P2MIN 105 Y 105 N 0.85008624639517 0.0459867189708528 P2MIN 106 G 106 N 0.677761994518353 0.0286002197334557 P2MIN 107 L 107 N 0.851434383835598 0.0235484570415223 P2MIN 108 D 108 N 0.889536879706927 0.0302442922432555 P2MIN 109 L 109 N 0.657064227295632 0.0241174590151239 P2MIN 110 G 110 N 0.778977314173171 0.0534240408344066 P2MIN 111 E 111 N 0.994729446249612 0.0295318368693631 P2MIN 112 L 112 N 0.573609579492728 0.0311829793123168 P2MIN 113 E 113 N 0.616210444293733 0.0293790216635415 P2MIN 114 A 114 N 0.929637261274218 0.0490928443777844 P2MIN 115 D 115 N 0.732909932878365 0.0172474270894286 P2MIN 116 A 116 N 0.514971081869799 0.0140600445073491 P2MIN 117 K 117 N 0.761792919847748 0.0359561835778344 P2MIN 118 L 118 N 0.694271819214304 0.0368698826020395 P2MIN 119 K 119 N 0.880947038900819 0.0370204058398231 P2MIN 120 D 120 N 1.05514905649428 0.0398789369759905 P2MIN 121 L 121 N 0.611677782888684 0.0175243067474736 P2MIN 122 V 122 N 0.749205732706723 0.0252360380866383 P2MIN 123 L 123 N 0.87225629533526 0.0203461935276183 P2MIN 124 E 124 N 0.696591388771634 0.0334384817593859 P2MIN 125 H 125 N 0.64600153787005 0.0258707377427923 P2MIN 126 L 126 N 0.887115817725048 0.0361556221434038 P2MIN 127 G 127 N 0.832715711278093 0.0289561793463974 P2MIN 128 E 128 N 0.820238435161197 0.0176180429946915 P2MIN 129 T 129 N 0.775461033898761 0.0221117870125338 P2MIN 130 P 130 N None None P2MIN 131 V 131 N 0.979341092774525 0.0440300600894662 P2MIN 132 L 132 N 0.759145231662112 0.0334721578415053 P2MIN 133 G 133 N None None P2MIN 134 D 134 N 0.817720049343299 0.0324949647864668 P2MIN 135 Y 135 N -3.48834166071853 2.24482539200333 P2MIN 136 F 136 N 0.953590696894306 0.0401715943256237 P2MIN 137 E 137 N 0.939855282199711 0.0458992674393296 P2MIN 138 W 138 N 0.828665380386299 0.035027122743496 P2MIN 139 H 139 N 0.6009307167131 0.0371471169766764 P2MIN 140 G 140 N 0.808277002219677 0.0280552897058938 P2MIN 141 L 141 N 1.0200731167724 0.0388496146780288 P2MIN 142 Q 142 N 1.20295612901668 0.0982293972278105 P2MIN 143 W 143 N 0.788407014176314 0.0264801460005058 P2MIN 144 V 144 N 0.986473743148465 0.107625750130406 P2MIN 145 V 145 N 0.770535680340646 0.0499154256578031 P2MIN 146 A 146 N 0.693799569726744 0.0677410047232487 P2MIN 147 D 147 N 0.860828965770551 0.0484643656619603 P2MIN 148 V 148 N 0.674356303457989 0.018403165329136 P2MIN 149 V 149 N 0.75669283546642 0.0215098993444653 P2MIN 150 D 150 N 0.715721741193216 0.0379233896334442 P2MIN 151 W 151 N 0.695568695135144 0.0261543725894913 P2MIN 152 K 152 N 0.545955079870876 0.0175941702329156 P2MIN 153 V 153 N 0.696825303159945 0.0233748723565011 P2MIN 154 T 154 N 0.863017919787617 0.0325624609271253 P2MIN 155 K 155 N 0.94955499165777 0.0384698890921791 P2MIN 156 I 156 N 0.851855385736343 0.0592521463181984 P2MIN 157 G 157 N None None P2MIN 158 L 158 N None None P2MIN 159 R 159 N 1.07410708601261 0.161950412080326 P2MIN 160 E 160 N 0.927046069552541 0.0594048241760847 P2MIN 161 N 161 N 0.714166300963367 0.0667663246854461 P2MIN 162 L 162 N 1.09472027873781 0.108320873649327 P2MIN 163 Y 163 N 0.461598953284206 0.0388265139764186 P2MIN 164 F 164 N 0.940108078581322 0.0696179103984296 P2MIN 165 Q 165 N 0.213625710012162 0.0247768256409197 ; loop_ _Theoretical_heteronucl_NOE_software.Software_ID _Theoretical_heteronucl_NOE_software.Software_label _Theoretical_heteronucl_NOE_software.Method_ID _Theoretical_heteronucl_NOE_software.Method_label _Theoretical_heteronucl_NOE_software.Entry_ID _Theoretical_heteronucl_NOE_software.Theoretical_heteronucl_NOE_list_ID 7 $software_8_Relax . . 50166 1 stop_ save_ save_theoretical_heteronucl_NOEs_2_700NOE _Theoretical_heteronucl_NOE_list.Sf_category theoretical_heteronucl_NOEs _Theoretical_heteronucl_NOE_list.Sf_framecode theoretical_heteronucl_NOEs_2_700NOE _Theoretical_heteronucl_NOE_list.Entry_ID 50166 _Theoretical_heteronucl_NOE_list.ID 2 _Theoretical_heteronucl_NOE_list.Name 700NOE _Theoretical_heteronucl_NOE_list.Sample_condition_list_ID 1 _Theoretical_heteronucl_NOE_list.Sample_condition_list_label $sample_conditions_1_P2MIN_15N_labelled _Theoretical_heteronucl_NOE_list.Spectrometer_frequency_1H 700 _Theoretical_heteronucl_NOE_list.Heteronuclear_NOE_val_type 'relative intensities' _Theoretical_heteronucl_NOE_list.NOE_ref_val 0 _Theoretical_heteronucl_NOE_list.NOE_ref_description . _Theoretical_heteronucl_NOE_list.Details . _Theoretical_heteronucl_NOE_list.Text_data_format text _Theoretical_heteronucl_NOE_list.Text_data ; # Parameter description: The steady-state NOE value. # # mol_name res_num res_name spin_num spin_name value error P2MIN 1 M 1 N None None P2MIN 2 T 2 N None None P2MIN 3 S 3 N 0.262248520166253 0.0163300143563571 P2MIN 4 E 4 N 0.372534190675033 0.0168288358012792 P2MIN 5 W 5 N 0.572718478564856 0.0332690442551689 P2MIN 6 E 6 N 0.762398394121486 0.0416809187589973 P2MIN 7 L 7 N 0.758739707840477 0.048991555461737 P2MIN 8 F 8 N 0.915309092033925 0.0537201465874329 P2MIN 9 I 9 N 0.731404336064243 0.0586016560977739 P2MIN 10 Y 10 N 0.781092053172302 0.0348839005248656 P2MIN 11 K 11 N None None P2MIN 12 L 12 N 0.746392112674466 0.0330259765352525 P2MIN 13 K 13 N None None P2MIN 14 A 14 N None None P2MIN 15 D 15 N None None P2MIN 16 K 16 N None None P2MIN 17 W 17 N None None P2MIN 18 C 18 N None None P2MIN 19 I 19 N 0.882278534930453 0.0574301049954114 P2MIN 20 G 20 N 0.801596691253001 0.0752216115013232 P2MIN 21 E 21 N 0.879107246103992 0.0369252825481134 P2MIN 22 P 22 N None None P2MIN 23 L 23 N 0.738245158228915 0.0396512160584306 P2MIN 24 R 24 N 0.9103830692701 0.0545792905760045 P2MIN 25 N 25 N 0.822054373245855 0.0385668502440723 P2MIN 26 L 26 N 0.769883976324546 0.0358785670586275 P2MIN 27 F 27 N 0.525723970123775 0.0427760145105985 P2MIN 28 M 28 N 0.66398281858161 0.0358682721931678 P2MIN 29 P 29 N None None P2MIN 30 E 30 N 0.747210629867769 0.0289102021690098 P2MIN 31 G 31 N 0.715987571205115 0.0370650962198549 P2MIN 32 T 32 N 0.768552349719421 0.0360220516062756 P2MIN 33 R 33 N 0.691650570836533 0.0380453972853892 P2MIN 34 I 34 N 0.718482314512002 0.0367124547481174 P2MIN 35 A 35 N 0.944183501460268 0.0783610894829385 P2MIN 36 A 36 N 0.87394722121253 0.0487826333451952 P2MIN 37 V 37 N 0.670814071063197 0.0285401441177773 P2MIN 38 F 38 N 1.00460389789618 0.074715747556822 P2MIN 39 R 39 N 0.824564848175455 0.0624855181745447 P2MIN 40 D 40 N 0.831326302009432 0.0546402228743144 P2MIN 41 N 41 N 0.666479505689936 0.0605149662781609 P2MIN 42 Q 42 N 0.754758645412374 0.0425698551400018 P2MIN 43 L 43 N 0.753643000610019 0.0394654356310664 P2MIN 44 L 44 N 0.765176878063621 0.0686424704924386 P2MIN 45 H 45 N 0.724732740962179 0.0317462063271273 P2MIN 46 P 46 N None None P2MIN 47 S 47 N 0.474122734368727 0.0397564931123578 P2MIN 48 G 48 N None None P2MIN 49 S 49 N 0.840494920612829 0.0554706146681873 P2MIN 50 T 50 N 0.755453844232602 0.022991692718238 P2MIN 51 E 51 N 0.6603791718662 0.034327640061478 P2MIN 52 L 52 N 0.557494895642737 0.0515067649763099 P2MIN 53 C 53 N 0.896528810227419 0.0547824860381465 P2MIN 54 E 54 N 0.839165247130808 0.0492008423026496 P2MIN 55 G 55 N 0.80483112802192 0.0535419573120702 P2MIN 56 D 56 N 0.803209526193592 0.0313849623290265 P2MIN 57 T 57 N 0.862385043606012 0.0435863539026804 P2MIN 58 L 58 N 0.937125785535896 0.0678879051141682 P2MIN 59 C 59 N -0.807867584449047 0.0442989507120276 P2MIN 60 V 60 N 0.850211954298907 0.054463566273671 P2MIN 61 M 61 N 0.868591192607699 0.0547219214913892 P2MIN 62 A 62 N 0.757592276453975 0.0533333353961406 P2MIN 63 Q 63 N 0.768660154785518 0.0556827838358563 P2MIN 64 E 64 N 0.764254136848378 0.029907051299457 P2MIN 65 R 65 N 0.782482653601738 0.0282472760459028 P2MIN 66 D 66 N 0.773833494079504 0.025373494895286 P2MIN 67 L 67 N 0.778900030163707 0.0238962707530928 P2MIN 68 E 68 N 0.604638980865009 0.0306660179034484 P2MIN 69 S 69 N 0.735811943530283 0.0247151703521125 P2MIN 70 L 70 N 0.509359624279429 0.0243804062691932 P2MIN 71 S 71 N 0.783528043655091 0.0353892302527643 P2MIN 72 R 72 N 0.384119327289595 0.0752539625844007 P2MIN 73 L 73 N 0.389154211293753 0.0179183312350741 P2MIN 74 F 74 N 0.782515200949132 0.0994596054510542 P2MIN 75 S 75 N None None P2MIN 76 E 76 N None None P2MIN 77 A 77 N 0.778887542583566 0.036443752370105 P2MIN 78 P 78 N None None P2MIN 79 E 79 N None None P2MIN 80 K 80 N 0.454864191687802 0.0315782266194031 P2MIN 81 A 81 N 0.474780844208686 0.129247928583718 P2MIN 82 S 82 N 0.556323433389361 0.0373687727714058 P2MIN 83 L 83 N None None P2MIN 84 A 84 N 0.670114037617106 0.0396514083543308 P2MIN 85 R 85 N 0.745676074119434 0.0578363225937075 P2MIN 86 F 86 N 0.719530743539777 0.0825870016989652 P2MIN 87 F 87 N 0.814300572517787 0.144648844652336 P2MIN 88 G 88 N None None P2MIN 89 D 89 N 0.728935049194156 0.0805600932120357 P2MIN 90 F 90 N 0.81991788767101 0.118612137053235 P2MIN 91 F 91 N 0.694651767337752 0.056695789312862 P2MIN 92 L 92 N 0.736604035261504 0.104768697834078 P2MIN 93 D 93 N 0.809646737351304 0.0588973801964887 P2MIN 94 I 94 N 0.811303456532406 0.0366488985412704 P2MIN 95 E 95 N 0.776363250117206 0.0191273432532234 P2MIN 96 A 96 N 0.742816412829371 0.0209795788221059 P2MIN 97 K 97 N 0.872267429138648 0.0286815297889117 P2MIN 98 L 98 N 0.855553248063903 0.023845118562709 P2MIN 99 Q 99 N 0.719304271090793 0.0546564159784327 P2MIN 100 D 100 N 0.837462171138384 0.0223347851887019 P2MIN 101 V 101 N 0.867965466499295 0.0259010002492392 P2MIN 102 A 102 N 0.646224131856859 0.0278897853733422 P2MIN 103 L 103 N 0.787026383870953 0.0224218675119497 P2MIN 104 L 104 N 0.697252382335809 0.0454272846071357 P2MIN 105 Y 105 N 0.805645229613987 0.0316936545169594 P2MIN 106 G 106 N 0.878927751371107 0.0314421153756289 P2MIN 107 L 107 N 0.794794307683008 0.0325354368098347 P2MIN 108 D 108 N 0.704623350473902 0.0187324878236533 P2MIN 109 L 109 N 0.582459154446885 0.0242874983399743 P2MIN 110 G 110 N 0.823810142444079 0.0721745573276296 P2MIN 111 E 111 N 0.603828572181699 0.0143038173107125 P2MIN 112 L 112 N 0.479759904900519 0.0277824567755847 P2MIN 113 E 113 N 0.50265317874045 0.0266808592305921 P2MIN 114 A 114 N 0.713668480403042 0.038120266912337 P2MIN 115 D 115 N 0.631372090657221 0.0159898097869747 P2MIN 116 A 116 N 0.673156161844894 0.0121714303889836 P2MIN 117 K 117 N 0.790226746562478 0.0271884849945073 P2MIN 118 L 118 N 0.779632176180647 0.033733524825065 P2MIN 119 K 119 N 0.83854737423011 0.0353000599772079 P2MIN 120 D 120 N 0.814231840903738 0.0344006036390301 P2MIN 121 L 121 N 0.858172172965277 0.0273272650263746 P2MIN 122 V 122 N 0.779559186794258 0.0200595239705431 P2MIN 123 L 123 N 0.820209268899602 0.0212886183953435 P2MIN 124 E 124 N 0.795780663437686 0.0177177691208868 P2MIN 125 H 125 N 0.838942766348383 0.0307588756386519 P2MIN 126 L 126 N 0.726195016484144 0.0285251668990973 P2MIN 127 G 127 N 0.852560101958725 0.0225533682728005 P2MIN 128 E 128 N 0.742854932375984 0.0154092557543224 P2MIN 129 T 129 N 0.678837483259759 0.0154557577655075 P2MIN 130 P 130 N None None P2MIN 131 V 131 N 0.767145022562739 0.0267901827150984 P2MIN 132 L 132 N 0.574652886036015 0.0249720188618218 P2MIN 133 G 133 N None None P2MIN 134 D 134 N 0.611274737100266 0.029140027729806 P2MIN 135 Y 135 N 0.801265721727057 0.0416582818098732 P2MIN 136 F 136 N 0.858531518085327 0.0363515559812086 P2MIN 137 E 137 N 0.815007802953215 0.037383014082588 P2MIN 138 W 138 N 0.897625495939274 0.0316982099023959 P2MIN 139 H 139 N 0.834789375373238 0.0373039754233336 P2MIN 140 G 140 N 0.761348745098345 0.0280925259245115 P2MIN 141 L 141 N 0.873544095891908 0.0279173133791301 P2MIN 142 Q 142 N 0.780209587776587 0.0651502367564628 P2MIN 143 W 143 N 0.786951025064184 0.0406724862692831 P2MIN 144 V 144 N 0.730590998435939 0.0620091053251077 P2MIN 145 V 145 N 0.889306642238701 0.0503964570588444 P2MIN 146 A 146 N 0.675415943392078 0.0807613822416673 P2MIN 147 D 147 N 0.949220796806025 0.0604487107085494 P2MIN 148 V 148 N 0.815944550492101 0.0273673492505325 P2MIN 149 V 149 N 0.777604173019568 0.0287102476368078 P2MIN 150 D 150 N 0.779831247789081 0.0302065552562901 P2MIN 151 W 151 N 0.702221198986764 0.0293637615929777 P2MIN 152 K 152 N 0.707749147312239 0.0163736879929436 P2MIN 153 V 153 N 0.581460604090849 0.0177116297844014 P2MIN 154 T 154 N 0.714565399779653 0.0226085656725129 P2MIN 155 K 155 N 0.83428161401708 0.0422201491992688 P2MIN 156 I 156 N 0.759667917570856 0.0458125279968137 P2MIN 157 G 157 N None None P2MIN 158 L 158 N None None P2MIN 159 R 159 N 0.724232519161341 0.0682755823014274 P2MIN 160 E 160 N 0.64047941151783 0.0349042730828159 P2MIN 161 N 161 N 0.779019225210413 0.090697416191589 P2MIN 162 L 162 N 0.652352819356143 0.0543692311984304 P2MIN 163 Y 163 N 0.532206769739063 0.0306320691741613 P2MIN 164 F 164 N 0.718294137916916 0.0706116834383932 P2MIN 165 Q 165 N 0.335931138309345 0.0213769132094371 ; loop_ _Theoretical_heteronucl_NOE_software.Software_ID _Theoretical_heteronucl_NOE_software.Software_label _Theoretical_heteronucl_NOE_software.Method_ID _Theoretical_heteronucl_NOE_software.Method_label _Theoretical_heteronucl_NOE_software.Entry_ID _Theoretical_heteronucl_NOE_software.Theoretical_heteronucl_NOE_list_ID 7 $software_8_Relax . . 50166 2 stop_ save_ save_theoretical_heteronucl_T1_relaxation_1_600R1 _Theoretical_heteronucl_T1_list.Sf_category theoretical_heteronucl_T1_relaxation _Theoretical_heteronucl_T1_list.Sf_framecode theoretical_heteronucl_T1_relaxation_1_600R1 _Theoretical_heteronucl_T1_list.Entry_ID 50166 _Theoretical_heteronucl_T1_list.ID 1 _Theoretical_heteronucl_T1_list.Name 600R1 _Theoretical_heteronucl_T1_list.Sample_condition_list_ID 1 _Theoretical_heteronucl_T1_list.Sample_condition_list_label $sample_conditions_1_P2MIN_15N_labelled _Theoretical_heteronucl_T1_list.Spectrometer_frequency_1H 600 _Theoretical_heteronucl_T1_list.T1_coherence_type Iz _Theoretical_heteronucl_T1_list.T1_val_units s-1 _Theoretical_heteronucl_T1_list.Details . _Theoretical_heteronucl_T1_list.Text_data_format text _Theoretical_heteronucl_T1_list.Text_data ; # Parameter description: The steady-state NOE value. # # mol_name res_num res_name spin_num spin_name value error P2MIN 1 M 1 N None None P2MIN 2 T 2 N None None P2MIN 3 S 3 N 0.262248520166253 0.0163300143563571 P2MIN 4 E 4 N 0.372534190675033 0.0168288358012792 P2MIN 5 W 5 N 0.572718478564856 0.0332690442551689 P2MIN 6 E 6 N 0.762398394121486 0.0416809187589973 P2MIN 7 L 7 N 0.758739707840477 0.048991555461737 P2MIN 8 F 8 N 0.915309092033925 0.0537201465874329 P2MIN 9 I 9 N 0.731404336064243 0.0586016560977739 P2MIN 10 Y 10 N 0.781092053172302 0.0348839005248656 P2MIN 11 K 11 N None None P2MIN 12 L 12 N 0.746392112674466 0.0330259765352525 P2MIN 13 K 13 N None None P2MIN 14 A 14 N None None P2MIN 15 D 15 N None None P2MIN 16 K 16 N None None P2MIN 17 W 17 N None None P2MIN 18 C 18 N None None P2MIN 19 I 19 N 0.882278534930453 0.0574301049954114 P2MIN 20 G 20 N 0.801596691253001 0.0752216115013232 P2MIN 21 E 21 N 0.879107246103992 0.0369252825481134 P2MIN 22 P 22 N None None P2MIN 23 L 23 N 0.738245158228915 0.0396512160584306 P2MIN 24 R 24 N 0.9103830692701 0.0545792905760045 P2MIN 25 N 25 N 0.822054373245855 0.0385668502440723 P2MIN 26 L 26 N 0.769883976324546 0.0358785670586275 P2MIN 27 F 27 N 0.525723970123775 0.0427760145105985 P2MIN 28 M 28 N 0.66398281858161 0.0358682721931678 P2MIN 29 P 29 N None None P2MIN 30 E 30 N 0.747210629867769 0.0289102021690098 P2MIN 31 G 31 N 0.715987571205115 0.0370650962198549 P2MIN 32 T 32 N 0.768552349719421 0.0360220516062756 P2MIN 33 R 33 N 0.691650570836533 0.0380453972853892 P2MIN 34 I 34 N 0.718482314512002 0.0367124547481174 P2MIN 35 A 35 N 0.944183501460268 0.0783610894829385 P2MIN 36 A 36 N 0.87394722121253 0.0487826333451952 P2MIN 37 V 37 N 0.670814071063197 0.0285401441177773 P2MIN 38 F 38 N 1.00460389789618 0.074715747556822 P2MIN 39 R 39 N 0.824564848175455 0.0624855181745447 P2MIN 40 D 40 N 0.831326302009432 0.0546402228743144 P2MIN 41 N 41 N 0.666479505689936 0.0605149662781609 P2MIN 42 Q 42 N 0.754758645412374 0.0425698551400018 P2MIN 43 L 43 N 0.753643000610019 0.0394654356310664 P2MIN 44 L 44 N 0.765176878063621 0.0686424704924386 P2MIN 45 H 45 N 0.724732740962179 0.0317462063271273 P2MIN 46 P 46 N None None P2MIN 47 S 47 N 0.474122734368727 0.0397564931123578 P2MIN 48 G 48 N None None P2MIN 49 S 49 N 0.840494920612829 0.0554706146681873 P2MIN 50 T 50 N 0.755453844232602 0.022991692718238 P2MIN 51 E 51 N 0.6603791718662 0.034327640061478 P2MIN 52 L 52 N 0.557494895642737 0.0515067649763099 P2MIN 53 C 53 N 0.896528810227419 0.0547824860381465 P2MIN 54 E 54 N 0.839165247130808 0.0492008423026496 P2MIN 55 G 55 N 0.80483112802192 0.0535419573120702 P2MIN 56 D 56 N 0.803209526193592 0.0313849623290265 P2MIN 57 T 57 N 0.862385043606012 0.0435863539026804 P2MIN 58 L 58 N 0.937125785535896 0.0678879051141682 P2MIN 59 C 59 N -0.807867584449047 0.0442989507120276 P2MIN 60 V 60 N 0.850211954298907 0.054463566273671 P2MIN 61 M 61 N 0.868591192607699 0.0547219214913892 P2MIN 62 A 62 N 0.757592276453975 0.0533333353961406 P2MIN 63 Q 63 N 0.768660154785518 0.0556827838358563 P2MIN 64 E 64 N 0.764254136848378 0.029907051299457 P2MIN 65 R 65 N 0.782482653601738 0.0282472760459028 P2MIN 66 D 66 N 0.773833494079504 0.025373494895286 P2MIN 67 L 67 N 0.778900030163707 0.0238962707530928 P2MIN 68 E 68 N 0.604638980865009 0.0306660179034484 P2MIN 69 S 69 N 0.735811943530283 0.0247151703521125 P2MIN 70 L 70 N 0.509359624279429 0.0243804062691932 P2MIN 71 S 71 N 0.783528043655091 0.0353892302527643 P2MIN 72 R 72 N 0.384119327289595 0.0752539625844007 P2MIN 73 L 73 N 0.389154211293753 0.0179183312350741 P2MIN 74 F 74 N 0.782515200949132 0.0994596054510542 P2MIN 75 S 75 N None None P2MIN 76 E 76 N None None P2MIN 77 A 77 N 0.778887542583566 0.036443752370105 P2MIN 78 P 78 N None None P2MIN 79 E 79 N None None P2MIN 80 K 80 N 0.454864191687802 0.0315782266194031 P2MIN 81 A 81 N 0.474780844208686 0.129247928583718 P2MIN 82 S 82 N 0.556323433389361 0.0373687727714058 P2MIN 83 L 83 N None None P2MIN 84 A 84 N 0.670114037617106 0.0396514083543308 P2MIN 85 R 85 N 0.745676074119434 0.0578363225937075 P2MIN 86 F 86 N 0.719530743539777 0.0825870016989652 P2MIN 87 F 87 N 0.814300572517787 0.144648844652336 P2MIN 88 G 88 N None None P2MIN 89 D 89 N 0.728935049194156 0.0805600932120357 P2MIN 90 F 90 N 0.81991788767101 0.118612137053235 P2MIN 91 F 91 N 0.694651767337752 0.056695789312862 P2MIN 92 L 92 N 0.736604035261504 0.104768697834078 P2MIN 93 D 93 N 0.809646737351304 0.0588973801964887 P2MIN 94 I 94 N 0.811303456532406 0.0366488985412704 P2MIN 95 E 95 N 0.776363250117206 0.0191273432532234 P2MIN 96 A 96 N 0.742816412829371 0.0209795788221059 P2MIN 97 K 97 N 0.872267429138648 0.0286815297889117 P2MIN 98 L 98 N 0.855553248063903 0.023845118562709 P2MIN 99 Q 99 N 0.719304271090793 0.0546564159784327 P2MIN 100 D 100 N 0.837462171138384 0.0223347851887019 P2MIN 101 V 101 N 0.867965466499295 0.0259010002492392 P2MIN 102 A 102 N 0.646224131856859 0.0278897853733422 P2MIN 103 L 103 N 0.787026383870953 0.0224218675119497 P2MIN 104 L 104 N 0.697252382335809 0.0454272846071357 P2MIN 105 Y 105 N 0.805645229613987 0.0316936545169594 P2MIN 106 G 106 N 0.878927751371107 0.0314421153756289 P2MIN 107 L 107 N 0.794794307683008 0.0325354368098347 P2MIN 108 D 108 N 0.704623350473902 0.0187324878236533 P2MIN 109 L 109 N 0.582459154446885 0.0242874983399743 P2MIN 110 G 110 N 0.823810142444079 0.0721745573276296 P2MIN 111 E 111 N 0.603828572181699 0.0143038173107125 P2MIN 112 L 112 N 0.479759904900519 0.0277824567755847 P2MIN 113 E 113 N 0.50265317874045 0.0266808592305921 P2MIN 114 A 114 N 0.713668480403042 0.038120266912337 P2MIN 115 D 115 N 0.631372090657221 0.0159898097869747 P2MIN 116 A 116 N 0.673156161844894 0.0121714303889836 P2MIN 117 K 117 N 0.790226746562478 0.0271884849945073 P2MIN 118 L 118 N 0.779632176180647 0.033733524825065 P2MIN 119 K 119 N 0.83854737423011 0.0353000599772079 P2MIN 120 D 120 N 0.814231840903738 0.0344006036390301 P2MIN 121 L 121 N 0.858172172965277 0.0273272650263746 P2MIN 122 V 122 N 0.779559186794258 0.0200595239705431 P2MIN 123 L 123 N 0.820209268899602 0.0212886183953435 P2MIN 124 E 124 N 0.795780663437686 0.0177177691208868 P2MIN 125 H 125 N 0.838942766348383 0.0307588756386519 P2MIN 126 L 126 N 0.726195016484144 0.0285251668990973 P2MIN 127 G 127 N 0.852560101958725 0.0225533682728005 P2MIN 128 E 128 N 0.742854932375984 0.0154092557543224 P2MIN 129 T 129 N 0.678837483259759 0.0154557577655075 P2MIN 130 P 130 N None None P2MIN 131 V 131 N 0.767145022562739 0.0267901827150984 P2MIN 132 L 132 N 0.574652886036015 0.0249720188618218 P2MIN 133 G 133 N None None P2MIN 134 D 134 N 0.611274737100266 0.029140027729806 P2MIN 135 Y 135 N 0.801265721727057 0.0416582818098732 P2MIN 136 F 136 N 0.858531518085327 0.0363515559812086 P2MIN 137 E 137 N 0.815007802953215 0.037383014082588 P2MIN 138 W 138 N 0.897625495939274 0.0316982099023959 P2MIN 139 H 139 N 0.834789375373238 0.0373039754233336 P2MIN 140 G 140 N 0.761348745098345 0.0280925259245115 P2MIN 141 L 141 N 0.873544095891908 0.0279173133791301 P2MIN 142 Q 142 N 0.780209587776587 0.0651502367564628 P2MIN 143 W 143 N 0.786951025064184 0.0406724862692831 P2MIN 144 V 144 N 0.730590998435939 0.0620091053251077 P2MIN 145 V 145 N 0.889306642238701 0.0503964570588444 P2MIN 146 A 146 N 0.675415943392078 0.0807613822416673 P2MIN 147 D 147 N 0.949220796806025 0.0604487107085494 P2MIN 148 V 148 N 0.815944550492101 0.0273673492505325 P2MIN 149 V 149 N 0.777604173019568 0.0287102476368078 P2MIN 150 D 150 N 0.779831247789081 0.0302065552562901 P2MIN 151 W 151 N 0.702221198986764 0.0293637615929777 P2MIN 152 K 152 N 0.707749147312239 0.0163736879929436 P2MIN 153 V 153 N 0.581460604090849 0.0177116297844014 P2MIN 154 T 154 N 0.714565399779653 0.0226085656725129 P2MIN 155 K 155 N 0.83428161401708 0.0422201491992688 P2MIN 156 I 156 N 0.759667917570856 0.0458125279968137 P2MIN 157 G 157 N None None P2MIN 158 L 158 N None None P2MIN 159 R 159 N 0.724232519161341 0.0682755823014274 P2MIN 160 E 160 N 0.64047941151783 0.0349042730828159 P2MIN 161 N 161 N 0.779019225210413 0.090697416191589 P2MIN 162 L 162 N 0.652352819356143 0.0543692311984304 P2MIN 163 Y 163 N 0.532206769739063 0.0306320691741613 P2MIN 164 F 164 N 0.718294137916916 0.0706116834383932 P2MIN 165 Q 165 N 0.335931138309345 0.0213769132094371 ; loop_ _Theoretical_heteronucl_T1_software.Software_ID _Theoretical_heteronucl_T1_software.Software_label _Theoretical_heteronucl_T1_software.Method_ID _Theoretical_heteronucl_T1_software.Method_label _Theoretical_heteronucl_T1_software.Entry_ID _Theoretical_heteronucl_T1_software.Theoretical_heteronucl_T1_list_ID 7 $software_8_Relax . . 50166 1 stop_ save_ save_theoretical_heteronucl_T1_relaxation_3_700R1 _Theoretical_heteronucl_T1_list.Sf_category theoretical_heteronucl_T1_relaxation _Theoretical_heteronucl_T1_list.Sf_framecode theoretical_heteronucl_T1_relaxation_3_700R1 _Theoretical_heteronucl_T1_list.Entry_ID 50166 _Theoretical_heteronucl_T1_list.ID 2 _Theoretical_heteronucl_T1_list.Name 700R1 _Theoretical_heteronucl_T1_list.Sample_condition_list_ID 1 _Theoretical_heteronucl_T1_list.Sample_condition_list_label $sample_conditions_1_P2MIN_15N_labelled _Theoretical_heteronucl_T1_list.Spectrometer_frequency_1H 700 _Theoretical_heteronucl_T1_list.T1_coherence_type NH _Theoretical_heteronucl_T1_list.T1_val_units s-1 _Theoretical_heteronucl_T1_list.Details . _Theoretical_heteronucl_T1_list.Text_data_format text _Theoretical_heteronucl_T1_list.Text_data ; # Parameter description: Either the R1 or R2 relaxation rate. # # mol_name res_num res_name spin_num spin_name value error P2MIN 1 M 1 N None None P2MIN 2 T 2 N None None P2MIN 3 S 3 N 1.72379665690577 0.0678186919958034 P2MIN 4 E 4 N 1.75784518352748 0.0578055267082246 P2MIN 5 W 5 N 1.25542680598887 0.100598474620173 P2MIN 6 E 6 N 1.1797337829721 0.103820215615692 P2MIN 7 L 7 N 1.23636909430616 0.176525181338113 P2MIN 8 F 8 N 1.18078525517698 0.138261340488437 P2MIN 9 I 9 N 1.1680882158087 0.299131191358913 P2MIN 10 Y 10 N 1.15516761826175 0.166103978836533 P2MIN 11 K 11 N None None P2MIN 12 L 12 N 1.12782467246852 0.110653933782394 P2MIN 13 K 13 N None None P2MIN 14 A 14 N None None P2MIN 15 D 15 N None None P2MIN 16 K 16 N None None P2MIN 17 W 17 N None None P2MIN 18 C 18 N None None P2MIN 19 I 19 N 1.14291514889226 0.132665131674771 P2MIN 20 G 20 N 1.20972984163743 0.313323006851242 P2MIN 21 E 21 N 1.24042433075712 0.0833613549698736 P2MIN 22 P 22 N None None P2MIN 23 L 23 N 1.21675800590061 0.108763320840247 P2MIN 24 R 24 N 1.34791325061401 0.134790526701486 P2MIN 25 N 25 N 1.30035092764686 0.115265248227593 P2MIN 26 L 26 N 1.1004413213249 0.0737559022890364 P2MIN 27 F 27 N 1.04562611404412 0.131232532410849 P2MIN 28 M 28 N 1.10316755267494 0.112928607110865 P2MIN 29 P 29 N None None P2MIN 30 E 30 N 1.19409133722951 0.0802097196126518 P2MIN 31 G 31 N 1.34956239709634 0.110446092499657 P2MIN 32 T 32 N 1.30625956121433 0.0855920278324925 P2MIN 33 R 33 N 1.21514767856843 0.10305429302381 P2MIN 34 I 34 N 1.22281852948973 0.105625049962571 P2MIN 35 A 35 N 1.2094819144032 0.198824275170229 P2MIN 36 A 36 N 1.080167957715 0.0943967599290602 P2MIN 37 V 37 N 1.16248076300361 0.220654938196654 P2MIN 38 F 38 N 1.0761283396421 0.164447929238815 P2MIN 39 R 39 N 1.11370486958634 0.143331711411953 P2MIN 40 D 40 N 1.27787959190181 0.174892619124726 P2MIN 41 N 41 N 1.07919220593459 0.213765794641998 P2MIN 42 Q 42 N 1.0380363747273 0.093658488003981 P2MIN 43 L 43 N 1.08003056818496 0.0911288408828822 P2MIN 44 L 44 N 1.23044941793552 0.248917879144203 P2MIN 45 H 45 N 1.34778406634906 0.116506125346471 P2MIN 46 P 46 N None None P2MIN 47 S 47 N 1.44534257134564 0.155469224556886 P2MIN 48 G 48 N None None P2MIN 49 S 49 N 1.34893755369419 0.133053959621276 P2MIN 50 T 50 N 1.43553266993591 0.0789453740879717 P2MIN 51 E 51 N 1.21707861769707 0.0938283910345766 P2MIN 52 L 52 N 1.16082503209617 0.26008746657273 P2MIN 53 C 53 N 1.10990552241022 0.123521827172222 P2MIN 54 E 54 N 1.12525897294745 0.115970146148777 P2MIN 55 G 55 N 1.21158214192857 0.123579792936634 P2MIN 56 D 56 N 1.16505224184426 0.0589232143260131 P2MIN 57 T 57 N 1.12694464500973 0.118129002028914 P2MIN 58 L 58 N 1.07365278309592 0.107147281676725 P2MIN 59 C 59 N 1.18765458902123 0.0984381129828202 P2MIN 60 V 60 N 1.16163658863446 0.125020203569216 P2MIN 61 M 61 N 1.20950800680486 0.159587710126797 P2MIN 62 A 62 N 1.19084592506596 0.141896811682065 P2MIN 63 Q 63 N 1.16952323440563 0.119634892715053 P2MIN 64 E 64 N 1.12981453911647 0.0800218664737225 P2MIN 65 R 65 N 1.17027938898689 0.0643127669397958 P2MIN 66 D 66 N 1.14345487058188 0.0640598466513143 P2MIN 67 L 67 N 1.22080810019912 0.0638914010916748 P2MIN 68 E 68 N 1.32553472051983 0.0770459639694194 P2MIN 69 S 69 N 1.21639740441734 0.0609810190125633 P2MIN 70 L 70 N 1.21372811461899 0.0799056822167699 P2MIN 71 S 71 N 1.32239757276982 0.0759632929536489 P2MIN 72 R 72 N 1.15197871765043 0.405139424958464 P2MIN 73 L 73 N 1.17739206465182 0.055839010381735 P2MIN 74 F 74 N 1.20847782690377 0.369993500803556 P2MIN 75 S 75 N None None P2MIN 76 E 76 N None None P2MIN 77 A 77 N 1.29624362463423 0.106475317867841 P2MIN 78 P 78 N None None P2MIN 79 E 79 N None None P2MIN 80 K 80 N 1.18093802455535 0.15260590836645 P2MIN 81 A 81 N 1.20593074324747 0.253791201413961 P2MIN 82 S 82 N 1.47362503105446 0.151580237123164 P2MIN 83 L 83 N None None P2MIN 84 A 84 N 1.35675227721526 0.234538121252688 P2MIN 85 R 85 N 1.29156001381724 0.204082197393819 P2MIN 86 F 86 N 1.20132896342508 0.368292828149491 P2MIN 87 F 87 N 1.06869561862354 0.80125837704731 P2MIN 88 G 88 N None None P2MIN 89 D 89 N 1.21192679467269 0.282447449755555 P2MIN 90 F 90 N 1.25658197970521 0.435875817375067 P2MIN 91 F 91 N 1.11014634093141 0.185567724756088 P2MIN 92 L 92 N 1.23935741207953 0.461740193320152 P2MIN 93 D 93 N 1.23763883273761 0.219662659187598 P2MIN 94 I 94 N 1.18955298095155 0.102327831457411 P2MIN 95 E 95 N 1.20746182478817 0.0538468881884052 P2MIN 96 A 96 N 1.08361656052711 0.0354565459098403 P2MIN 97 K 97 N 1.22343224686768 0.0613256994054382 P2MIN 98 L 98 N 1.21573272491633 0.079320371398718 P2MIN 99 Q 99 N 1.13834360997174 0.153177998068453 P2MIN 100 D 100 N 1.23722628137028 0.0450889840042717 P2MIN 101 V 101 N 1.14943089023054 0.0483453270973426 P2MIN 102 A 102 N 1.19853703892588 0.0855721069948399 P2MIN 103 L 103 N 1.16046235600358 0.0486831449904471 P2MIN 104 L 104 N 1.16135463492754 0.116115889080265 P2MIN 105 Y 105 N 1.14366239805555 0.0746508043974548 P2MIN 106 G 106 N 1.11157786867614 0.0685393655840966 P2MIN 107 L 107 N 1.16048977145964 0.0937239329336534 P2MIN 108 D 108 N 1.16521773853239 0.0513396644981346 P2MIN 109 L 109 N 1.04922364662923 0.0561462630327371 P2MIN 110 G 110 N 1.14917484592907 0.151081823332791 P2MIN 111 E 111 N 1.25367741639291 0.0350528607215173 P2MIN 112 L 112 N 1.01212652829014 0.0776033875939876 P2MIN 113 E 113 N 1.02066105874401 0.0681720856651831 P2MIN 114 A 114 N 1.40717856595038 0.20270800458558 P2MIN 115 D 115 N 1.21256823482418 0.0379572940911867 P2MIN 116 A 116 N 1.2252630613366 0.0282096097908948 P2MIN 117 K 117 N 1.16187353698074 0.0669290883672026 P2MIN 118 L 118 N 1.1917761249534 0.122789167406653 P2MIN 119 K 119 N 1.22774055761876 0.121856793388826 P2MIN 120 D 120 N 1.23345860252852 0.108197427866295 P2MIN 121 L 121 N 1.21881221565273 0.0540902253069944 P2MIN 122 V 122 N 1.18957713636479 0.0585661171854765 P2MIN 123 L 123 N 1.14990109704593 0.0432969643021532 P2MIN 124 E 124 N 1.23639130677021 0.0493250449018741 P2MIN 125 H 125 N 1.21378389782636 0.0646049351698835 P2MIN 126 L 126 N 1.10088354398298 0.0715399419050864 P2MIN 127 G 127 N 1.17880756149149 0.0447486843889136 P2MIN 128 E 128 N 1.20602682017685 0.0332511017372294 P2MIN 129 T 129 N 1.23171694203044 0.0320827720808247 P2MIN 130 P 130 N None None P2MIN 131 V 131 N 1.15008009991194 0.0676368468196705 P2MIN 132 L 132 N 1.18037553861612 0.0821090332325644 P2MIN 133 G 133 N None None P2MIN 134 D 134 N 1.26646216361148 0.100595162538697 P2MIN 135 Y 135 N 1.15449080942609 0.157849102060833 P2MIN 136 F 136 N 1.2457930482925 0.0788624845030073 P2MIN 137 E 137 N 1.1822520755802 0.0764584168233822 P2MIN 138 W 138 N 1.20642284895685 0.0835072608978827 P2MIN 139 H 139 N 1.50582750341684 0.177056017927335 P2MIN 140 G 140 N 1.29053403801839 0.0686247864669963 P2MIN 141 L 141 N 1.14563614143059 0.0690755142626868 P2MIN 142 Q 142 N 1.15845069678528 0.232593715023829 P2MIN 143 W 143 N 1.18757111956745 0.102042344286502 P2MIN 144 V 144 N 1.21440642569538 0.253938383036662 P2MIN 145 V 145 N 1.05417904086085 0.138371772019924 P2MIN 146 A 146 N 1.06952566176023 0.31606449143892 P2MIN 147 D 147 N 1.10909117316832 0.123875455377033 P2MIN 148 V 148 N 1.13812666606635 0.0560208493807698 P2MIN 149 V 149 N 1.12783699055443 0.058990925856134 P2MIN 150 D 150 N 1.35103749740099 0.0881807829914158 P2MIN 151 W 151 N 1.21147617918832 0.0982746961186928 P2MIN 152 K 152 N 1.19303706404967 0.0376770464787775 P2MIN 153 V 153 N 1.14236015434681 0.0520742498461331 P2MIN 154 T 154 N 1.24984310595531 0.095465960250492 P2MIN 155 K 155 N 1.09137089770167 0.0795624290097974 P2MIN 156 I 156 N 1.04771194543821 0.125291182839218 P2MIN 157 G 157 N None None P2MIN 158 L 158 N None None P2MIN 159 R 159 N 1.16599778554206 0.32231427680787 P2MIN 160 E 160 N 1.24112146778301 0.181951286169444 P2MIN 161 N 161 N 1.208077454095 0.38494896543922 P2MIN 162 L 162 N 1.27442182506769 0.164444243151462 P2MIN 163 Y 163 N 1.39299656462401 0.115532964373339 P2MIN 164 F 164 N 1.15732787265763 0.330571855169631 P2MIN 165 Q 165 N 1.3880936218666 0.0614197694310923 ; loop_ _Theoretical_heteronucl_T1_software.Software_ID _Theoretical_heteronucl_T1_software.Software_label _Theoretical_heteronucl_T1_software.Method_ID _Theoretical_heteronucl_T1_software.Method_label _Theoretical_heteronucl_T1_software.Entry_ID _Theoretical_heteronucl_T1_software.Theoretical_heteronucl_T1_list_ID 7 $software_8_Relax . . 50166 2 stop_ save_ save_theoretical_heteronucl_T2_relaxation_1_600R2 _Theoretical_heteronucl_T2_list.Sf_category theoretical_heteronucl_T2_relaxation _Theoretical_heteronucl_T2_list.Sf_framecode theoretical_heteronucl_T2_relaxation_1_600R2 _Theoretical_heteronucl_T2_list.Entry_ID 50166 _Theoretical_heteronucl_T2_list.ID 1 _Theoretical_heteronucl_T2_list.Name 600R2 _Theoretical_heteronucl_T2_list.Sample_condition_list_ID 1 _Theoretical_heteronucl_T2_list.Sample_condition_list_label $sample_conditions_1_P2MIN_15N_labelled _Theoretical_heteronucl_T2_list.Temp_calibration_method n/a _Theoretical_heteronucl_T2_list.Temp_control_method n/a _Theoretical_heteronucl_T2_list.Spectrometer_frequency_1H 600 _Theoretical_heteronucl_T2_list.T2_coherence_type I(+,-) _Theoretical_heteronucl_T2_list.T2_val_units s-1 _Theoretical_heteronucl_T2_list.Rex_units . _Theoretical_heteronucl_T2_list.Details . _Theoretical_heteronucl_T2_list.Text_data_format text _Theoretical_heteronucl_T2_list.Text_data ; # Parameter description: Either the R1 or R2 relaxation rate. # # mol_name res_num res_name spin_num spin_name value error P2MIN 1 M 1 N None None P2MIN 2 T 2 N None None P2MIN 3 S 3 N 9.64518709987371 0.383260080724445 P2MIN 4 E 4 N 9.53155952759317 0.358411068428311 P2MIN 5 W 5 N 11.9053264598285 0.510295963357528 P2MIN 6 E 6 N 22.2072760826597 1.68420460431446 P2MIN 7 L 7 N 17.2369332250499 1.25946653204877 P2MIN 8 F 8 N 17.2184028822684 1.32577942722642 P2MIN 9 I 9 N 19.194526259553 1.76386201367825 P2MIN 10 Y 10 N 22.4942247396875 1.47305699862281 P2MIN 11 K 11 N None None P2MIN 12 L 12 N 24.4327846354185 1.06008797538175 P2MIN 13 K 13 N None None P2MIN 14 A 14 N None None P2MIN 15 D 15 N None None P2MIN 16 K 16 N None None P2MIN 17 W 17 N None None P2MIN 18 C 18 N None None P2MIN 19 I 19 N 20.174232002717 1.71177830696187 P2MIN 20 G 20 N 22.0290297125104 2.35054672037803 P2MIN 21 E 21 N 18.8147958696799 1.19480584170187 P2MIN 22 P 22 N None None P2MIN 23 L 23 N 19.5830529924467 1.22483616432848 P2MIN 24 R 24 N 26.7614226518421 2.43606152304268 P2MIN 25 N 25 N 23.7896818870297 1.55262889577164 P2MIN 26 L 26 N 23.5818468825945 1.84350391243216 P2MIN 27 F 27 N 24.5090649289182 2.37138224230284 P2MIN 28 M 28 N 18.5026953602522 1.16522598500119 P2MIN 29 P 29 N None None P2MIN 30 E 30 N 22.2824042194343 1.09006078263 P2MIN 31 G 31 N 16.943287238546 1.0129317735063 P2MIN 32 T 32 N 21.6783493384497 1.08779845093062 P2MIN 33 R 33 N 18.6650808796068 1.01676111193987 P2MIN 34 I 34 N 18.9360309795189 1.03949830253699 P2MIN 35 A 35 N 20.2264731994517 2.09025976224372 P2MIN 36 A 36 N 18.6830563557958 1.32416827857595 P2MIN 37 V 37 N 14.0146296668874 0.875566732640673 P2MIN 38 F 38 N 24.5428649044927 2.72736161634321 P2MIN 39 R 39 N 28.0582226409245 3.06977086583125 P2MIN 40 D 40 N 23.7363065759564 2.55111031632307 P2MIN 41 N 41 N 24.9180659861976 3.0748208030896 P2MIN 42 Q 42 N 20.1625473417046 1.357918503303 P2MIN 43 L 43 N 19.258408044642 0.945687923522983 P2MIN 44 L 44 N 20.9437448300196 2.54311413647135 P2MIN 45 H 45 N 23.3766183449156 1.11048379351992 P2MIN 46 P 46 N None None P2MIN 47 S 47 N 14.347033867357 1.04148276183036 P2MIN 48 G 48 N None None P2MIN 49 S 49 N 21.3931118587028 1.69668517595079 P2MIN 50 T 50 N 20.2407387552329 1.09431250930281 P2MIN 51 E 51 N 19.1177152069879 0.918514585739324 P2MIN 52 L 52 N 15.7832007396874 1.25200551770322 P2MIN 53 C 53 N 20.5192395730424 1.36649380793185 P2MIN 54 E 54 N 15.8260059001618 1.06436008065206 P2MIN 55 G 55 N 21.5329796548409 1.83128984187638 P2MIN 56 D 56 N 20.3447377171369 0.968502003302116 P2MIN 57 T 57 N 21.5777666720763 1.48265945664169 P2MIN 58 L 58 N 19.8486482581305 1.31244079028899 P2MIN 59 C 59 N 11.7469761758768 0.519212949053187 P2MIN 60 V 60 N 17.6819368959357 1.38282208895832 P2MIN 61 M 61 N 22.4316292986317 1.72711110855394 P2MIN 62 A 62 N 21.8196502630928 1.80137605641406 P2MIN 63 Q 63 N 18.0660324329325 1.35050961949558 P2MIN 64 E 64 N 20.3174581801039 0.768027805239421 P2MIN 65 R 65 N 19.3970733344253 0.909152619068162 P2MIN 66 D 66 N 20.013133695328 0.969010406164658 P2MIN 67 L 67 N 19.0211013870327 0.925540420272265 P2MIN 68 E 68 N 13.3039527212858 0.621704209009191 P2MIN 69 S 69 N 17.67643787082 0.870922300851602 P2MIN 70 L 70 N 13.9860091664255 0.691851347384187 P2MIN 71 S 71 N 18.14286593533 0.791800199505314 P2MIN 72 R 72 N 24.0866189123992 3.5140365744223 P2MIN 73 L 73 N 18.1586392655291 1.23784083293708 P2MIN 74 F 74 N 22.0192835662288 3.44805209533195 P2MIN 75 S 75 N None None P2MIN 76 E 76 N None None P2MIN 77 A 77 N 19.4725696123092 0.888509390491325 P2MIN 78 P 78 N None None P2MIN 79 E 79 N None None P2MIN 80 K 80 N 14.2774546235071 0.855361050155448 P2MIN 81 A 81 N 17.5637952427443 1.88420496593752 P2MIN 82 S 82 N 17.1972384299166 1.16138022994016 P2MIN 83 L 83 N None None P2MIN 84 A 84 N 18.4455371386656 1.36960613270534 P2MIN 85 R 85 N 26.7688234694346 3.25400975590246 P2MIN 86 F 86 N 19.4044751756994 2.63684397652356 P2MIN 87 F 87 N 23.0332081593746 5.59093543583164 P2MIN 88 G 88 N None None P2MIN 89 D 89 N 20.6687128952539 3.74996371081847 P2MIN 90 F 90 N 22.6502687054218 4.00812303630995 P2MIN 91 F 91 N 14.6444084355114 1.09104879883785 P2MIN 92 L 92 N 28.0012925475721 5.6393670724421 P2MIN 93 D 93 N 19.2016663226301 1.28658785233596 P2MIN 94 I 94 N 18.5090977713863 1.20979591121023 P2MIN 95 E 95 N 15.5973893443052 0.555987836277113 P2MIN 96 A 96 N 15.9043565190687 0.604174445682151 P2MIN 97 K 97 N 16.7237484376485 0.691738628684284 P2MIN 98 L 98 N 17.0655748329428 0.448851080011012 P2MIN 99 Q 99 N 16.9943604008082 1.30600689739406 P2MIN 100 D 100 N 14.7714073027874 0.659709369616712 P2MIN 101 V 101 N 19.4159968899355 0.565496756487936 P2MIN 102 A 102 N 13.7646826875973 0.605204914694617 P2MIN 103 L 103 N 19.0342185482644 0.666735046856671 P2MIN 104 L 104 N 19.485408981918 1.23871827830787 P2MIN 105 Y 105 N 18.7875991673003 0.863766424861883 P2MIN 106 G 106 N 18.1621128279157 0.788123379733112 P2MIN 107 L 107 N 16.0851861924908 0.5988079307393 P2MIN 108 D 108 N 12.8022892348471 0.39348421438436 P2MIN 109 L 109 N 13.2476572915814 0.42271159579319 P2MIN 110 G 110 N 17.5340497662054 1.17313402357305 P2MIN 111 E 111 N 12.1780628101844 0.346826165978025 P2MIN 112 L 112 N 24.3310660971835 1.28632420280811 P2MIN 113 E 113 N 13.3951782364017 0.558126069215702 P2MIN 114 A 114 N 15.7573229955908 0.713064754549787 P2MIN 115 D 115 N 14.1223614017302 0.398157825625158 P2MIN 116 A 116 N 15.75671059125 0.562901865478676 P2MIN 117 K 117 N 17.0460870506489 0.622714179408224 P2MIN 118 L 118 N 18.2266751387557 1.12541948579863 P2MIN 119 K 119 N 14.0979134931406 0.815999897640602 P2MIN 120 D 120 N 15.3475799676519 0.809851036537557 P2MIN 121 L 121 N 17.5935482533199 1.06162100702028 P2MIN 122 V 122 N 15.9370596848627 0.496837927752268 P2MIN 123 L 123 N 18.7765189954467 0.52799502146094 P2MIN 124 E 124 N 21.6994259244179 0.848375902801319 P2MIN 125 H 125 N 24.5189792484716 1.43932992366047 P2MIN 126 L 126 N 16.5811221675792 0.652369297288299 P2MIN 127 G 127 N 15.6605021119947 0.41651989274534 P2MIN 128 E 128 N 13.9388937205188 0.286069587411336 P2MIN 129 T 129 N 13.4966615159121 0.291987579620543 P2MIN 130 P 130 N None None P2MIN 131 V 131 N 17.9205159646657 0.619119136602859 P2MIN 132 L 132 N 16.327642237452 1.04742756368879 P2MIN 133 G 133 N None None P2MIN 134 D 134 N 13.4197877819628 1.00825845614161 P2MIN 135 Y 135 N 15.6113396088513 0.907298392090977 P2MIN 136 F 136 N 16.4424449491816 0.648329515807888 P2MIN 137 E 137 N 18.1200045743042 1.21349635618307 P2MIN 138 W 138 N 16.4118974697424 0.72430371050578 P2MIN 139 H 139 N 16.2994674436204 1.26494019831836 P2MIN 140 G 140 N 16.8091426718602 0.629680231469536 P2MIN 141 L 141 N 19.4299485109691 1.04350815684454 P2MIN 142 Q 142 N 17.1333110224246 1.09772310609255 P2MIN 143 W 143 N 14.0160223385442 0.778370999328037 P2MIN 144 V 144 N 21.4639803289503 2.51901908432831 P2MIN 145 V 145 N 19.1925042590363 1.34866847871663 P2MIN 146 A 146 N 18.8275203818229 2.47210141481626 P2MIN 147 D 147 N 25.8272205869779 2.07046870277545 P2MIN 148 V 148 N 18.0173100647429 0.645627308481261 P2MIN 149 V 149 N 15.5572490195656 0.571617600642444 P2MIN 150 D 150 N 16.8604610639719 0.730958799256927 P2MIN 151 W 151 N 28.8939631002063 1.74290163835161 P2MIN 152 K 152 N 13.5586759248996 0.410033759777329 P2MIN 153 V 153 N 15.0092794488849 0.436620786194061 P2MIN 154 T 154 N 14.316192025426 0.527125811572883 P2MIN 155 K 155 N 20.6960166699647 1.39874172771612 P2MIN 156 I 156 N 22.3586537765208 1.6403685259608 P2MIN 157 G 157 N None None P2MIN 158 L 158 N None None P2MIN 159 R 159 N 20.1610352103132 2.3110806199671 P2MIN 160 E 160 N 19.0629250960522 1.2902537039313 P2MIN 161 N 161 N 26.6818265973797 3.26859479732143 P2MIN 162 L 162 N 15.6212510179209 0.815375343684001 P2MIN 163 Y 163 N 15.8188035700242 0.755445369669034 P2MIN 164 F 164 N 15.6844337738141 1.61444397530701 P2MIN 165 Q 165 N 10.439263115257 0.325289109177934 ; loop_ _Theoretical_heteronucl_T2_software.Software_ID _Theoretical_heteronucl_T2_software.Software_label _Theoretical_heteronucl_T2_software.Method_ID _Theoretical_heteronucl_T2_software.Method_label _Theoretical_heteronucl_T2_software.Entry_ID _Theoretical_heteronucl_T2_software.Theoretical_heteronucl_T2_list_ID 7 $software_8_Relax . . 50166 1 stop_ save_