data_52144 ####################### # Entry information # ####################### save_entry_information_1 _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information_1 _Entry.ID 52144 _Entry.Title ; Backbone 1H, 13C and 15N Chemical Shift Assignment of Mouse Siderocalin (Lipocalin 2) ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2023-09-20 _Entry.Accession_date 2023-09-20 _Entry.Last_release_date 2023-09-25 _Entry.Original_release_date 2023-09-25 _Entry.Origination author _Entry.Format_name . _Entry.NMR_STAR_version 3.2.14.0 _Entry.NMR_STAR_dict_location . _Entry.Original_NMR_STAR_version 3.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype solution _Entry.Source_data_format . _Entry.Source_data_format_version . _Entry.Generated_software_name . _Entry.Generated_software_version . _Entry.Generated_software_ID 1 _Entry.Generated_software_label $software_1 _Entry.Generated_date . _Entry.DOI . _Entry.UUID . _Entry.Related_coordinate_file_name . _Entry.Details . _Entry.BMRB_internal_directory_name . loop_ _Entry_author.Ordinal _Entry_author.Given_name _Entry_author.Family_name _Entry_author.First_initial _Entry_author.Middle_initials _Entry_author.Family_title _Entry_author.ORCID _Entry_author.Entry_ID 1 Johanna Moeller . . . 0009-0003-0027-5135 52144 2 Nina Bozhanova . . . . 52144 3 Markus Voehler . . . . 52144 4 Jens Meiler . . . . 52144 5 Clara Schoeder . T. . . 52144 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 52144 spectral_peak_list 7 52144 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 280 52144 '15N chemical shifts' 150 52144 '1H chemical shifts' 150 52144 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 . . 2024-06-24 . original BMRB . 52144 stop_ save_ ############### # Citations # ############### save_citations_1 _Citation.Sf_category citations _Citation.Sf_framecode citations_1 _Citation.Entry_ID 52144 _Citation.ID 1 _Citation.Name . _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.PubMed_ID 38564159 _Citation.DOI . _Citation.Full_citation . _Citation.Title ; Backbone chemical shift and secondary structure assignments for mouse siderocalin ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'Biomol. NMR Assign.' _Citation.Journal_name_full 'Biomolecular NMR assignments' _Citation.Journal_volume 18 _Citation.Journal_issue 1 _Citation.Journal_ASTM . _Citation.Journal_ISSN 1874-270X _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 79 _Citation.Page_last 84 _Citation.Year 2024 _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 Johanna Moeller . . . . 52144 1 2 Nina Bozhanova . . . . 52144 1 3 Markus Voehler . . . . 52144 1 4 Jens Meiler . . . . 52144 1 5 Clara Schoeder . T. . . 52144 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly_1 _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly_1 _Assembly.Entry_ID 52144 _Assembly.ID 1 _Assembly.Name 'Mouse siderocalin' _Assembly.BMRB_code . _Assembly.Number_of_components 1 _Assembly.Organic_ligands 0 _Assembly.Metal_ions 0 _Assembly.Non_standard_bonds no _Assembly.Ambiguous_conformational_states no _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange no _Assembly.Paramagnetic no _Assembly.Thiol_state . _Assembly.Molecular_mass . _Assembly.Enzyme_commission_number . _Assembly.Details . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Entity_assembly.ID _Entity_assembly.Entity_assembly_name _Entity_assembly.Entity_ID _Entity_assembly.Entity_label _Entity_assembly.Asym_ID _Entity_assembly.PDB_chain_ID _Entity_assembly.Experimental_data_reported _Entity_assembly.Physical_state _Entity_assembly.Conformational_isomer _Entity_assembly.Chemical_exchange_state _Entity_assembly.Magnetic_equivalence_group_code _Entity_assembly.Role _Entity_assembly.Details _Entity_assembly.Entry_ID _Entity_assembly.Assembly_ID 1 siderocalin 1 $entity_1 . . yes native no no . . . 52144 1 stop_ loop_ _Bond.ID _Bond.Type _Bond.Value_order _Bond.Assembly_atom_ID_1 _Bond.Entity_assembly_ID_1 _Bond.Entity_assembly_name_1 _Bond.Entity_ID_1 _Bond.Comp_ID_1 _Bond.Comp_index_ID_1 _Bond.Seq_ID_1 _Bond.Atom_ID_1 _Bond.Assembly_atom_ID_2 _Bond.Entity_assembly_ID_2 _Bond.Entity_assembly_name_2 _Bond.Entity_ID_2 _Bond.Comp_ID_2 _Bond.Comp_index_ID_2 _Bond.Seq_ID_2 _Bond.Atom_ID_2 _Bond.Auth_entity_assembly_ID_1 _Bond.Auth_entity_assembly_name_1 _Bond.Auth_asym_ID_1 _Bond.Auth_seq_ID_1 _Bond.Auth_comp_ID_1 _Bond.Auth_atom_ID_1 _Bond.Auth_entity_assembly_ID_2 _Bond.Auth_entity_assembly_name_2 _Bond.Auth_asym_ID_2 _Bond.Auth_seq_ID_2 _Bond.Auth_comp_ID_2 _Bond.Auth_atom_ID_2 _Bond.Entry_ID _Bond.Assembly_ID 1 disulfide single . 1 . 1 CYS 78 78 SG . 1 . 1 CYS 177 177 SG . . . . . . . . . . . . 52144 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity_1 _Entity.Sf_category entity _Entity.Sf_framecode entity_1 _Entity.Entry_ID 52144 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name entity_1 _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID . _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; QDSTQNLIPAPSLLTVPLQP DFRSDQFRGRWYVVGLAGNA VQKKTEGSFTMYSTIYELQE NNSYNVTSILVRDQDQGCRY WIRTFVPSSRAGQFTLGNMH RYPQVQSYNVQVATTDYNQF AMVFFRKTSENKQYFKITLY GRTKELSPELKERFTRFAKS LGLKDDNIIFSVPTDQCIDN ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states no _Entity.Ambiguous_chem_comp_sites no _Entity.Nstd_monomer no _Entity.Nstd_chirality no _Entity.Nstd_linkage no _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 180 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'all disulfide bound' _Entity.Src_method . _Entity.Parent_entity_ID 1 _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 20874 _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 NCBI NP_032517.1 . NGAL . . . . . . . . . . . . . . 52144 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 . GLN . 52144 1 2 . ASP . 52144 1 3 . SER . 52144 1 4 . THR . 52144 1 5 . GLN . 52144 1 6 . ASN . 52144 1 7 . LEU . 52144 1 8 . ILE . 52144 1 9 . PRO . 52144 1 10 . ALA . 52144 1 11 . PRO . 52144 1 12 . SER . 52144 1 13 . LEU . 52144 1 14 . LEU . 52144 1 15 . THR . 52144 1 16 . VAL . 52144 1 17 . PRO . 52144 1 18 . LEU . 52144 1 19 . GLN . 52144 1 20 . PRO . 52144 1 21 . ASP . 52144 1 22 . PHE . 52144 1 23 . ARG . 52144 1 24 . SER . 52144 1 25 . ASP . 52144 1 26 . GLN . 52144 1 27 . PHE . 52144 1 28 . ARG . 52144 1 29 . GLY . 52144 1 30 . ARG . 52144 1 31 . TRP . 52144 1 32 . TYR . 52144 1 33 . VAL . 52144 1 34 . VAL . 52144 1 35 . GLY . 52144 1 36 . LEU . 52144 1 37 . ALA . 52144 1 38 . GLY . 52144 1 39 . ASN . 52144 1 40 . ALA . 52144 1 41 . VAL . 52144 1 42 . GLN . 52144 1 43 . LYS . 52144 1 44 . LYS . 52144 1 45 . THR . 52144 1 46 . GLU . 52144 1 47 . GLY . 52144 1 48 . SER . 52144 1 49 . PHE . 52144 1 50 . THR . 52144 1 51 . MET . 52144 1 52 . TYR . 52144 1 53 . SER . 52144 1 54 . THR . 52144 1 55 . ILE . 52144 1 56 . TYR . 52144 1 57 . GLU . 52144 1 58 . LEU . 52144 1 59 . GLN . 52144 1 60 . GLU . 52144 1 61 . ASN . 52144 1 62 . ASN . 52144 1 63 . SER . 52144 1 64 . TYR . 52144 1 65 . ASN . 52144 1 66 . VAL . 52144 1 67 . THR . 52144 1 68 . SER . 52144 1 69 . ILE . 52144 1 70 . LEU . 52144 1 71 . VAL . 52144 1 72 . ARG . 52144 1 73 . ASP . 52144 1 74 . GLN . 52144 1 75 . ASP . 52144 1 76 . GLN . 52144 1 77 . GLY . 52144 1 78 . CYS . 52144 1 79 . ARG . 52144 1 80 . TYR . 52144 1 81 . TRP . 52144 1 82 . ILE . 52144 1 83 . ARG . 52144 1 84 . THR . 52144 1 85 . PHE . 52144 1 86 . VAL . 52144 1 87 . PRO . 52144 1 88 . SER . 52144 1 89 . SER . 52144 1 90 . ARG . 52144 1 91 . ALA . 52144 1 92 . GLY . 52144 1 93 . GLN . 52144 1 94 . PHE . 52144 1 95 . THR . 52144 1 96 . LEU . 52144 1 97 . GLY . 52144 1 98 . ASN . 52144 1 99 . MET . 52144 1 100 . HIS . 52144 1 101 . ARG . 52144 1 102 . TYR . 52144 1 103 . PRO . 52144 1 104 . GLN . 52144 1 105 . VAL . 52144 1 106 . GLN . 52144 1 107 . SER . 52144 1 108 . TYR . 52144 1 109 . ASN . 52144 1 110 . VAL . 52144 1 111 . GLN . 52144 1 112 . VAL . 52144 1 113 . ALA . 52144 1 114 . THR . 52144 1 115 . THR . 52144 1 116 . ASP . 52144 1 117 . TYR . 52144 1 118 . ASN . 52144 1 119 . GLN . 52144 1 120 . PHE . 52144 1 121 . ALA . 52144 1 122 . MET . 52144 1 123 . VAL . 52144 1 124 . PHE . 52144 1 125 . PHE . 52144 1 126 . ARG . 52144 1 127 . LYS . 52144 1 128 . THR . 52144 1 129 . SER . 52144 1 130 . GLU . 52144 1 131 . ASN . 52144 1 132 . LYS . 52144 1 133 . GLN . 52144 1 134 . TYR . 52144 1 135 . PHE . 52144 1 136 . LYS . 52144 1 137 . ILE . 52144 1 138 . THR . 52144 1 139 . LEU . 52144 1 140 . TYR . 52144 1 141 . GLY . 52144 1 142 . ARG . 52144 1 143 . THR . 52144 1 144 . LYS . 52144 1 145 . GLU . 52144 1 146 . LEU . 52144 1 147 . SER . 52144 1 148 . PRO . 52144 1 149 . GLU . 52144 1 150 . LEU . 52144 1 151 . LYS . 52144 1 152 . GLU . 52144 1 153 . ARG . 52144 1 154 . PHE . 52144 1 155 . THR . 52144 1 156 . ARG . 52144 1 157 . PHE . 52144 1 158 . ALA . 52144 1 159 . LYS . 52144 1 160 . SER . 52144 1 161 . LEU . 52144 1 162 . GLY . 52144 1 163 . LEU . 52144 1 164 . LYS . 52144 1 165 . ASP . 52144 1 166 . ASP . 52144 1 167 . ASN . 52144 1 168 . ILE . 52144 1 169 . ILE . 52144 1 170 . PHE . 52144 1 171 . SER . 52144 1 172 . VAL . 52144 1 173 . PRO . 52144 1 174 . THR . 52144 1 175 . ASP . 52144 1 176 . GLN . 52144 1 177 . CYS . 52144 1 178 . ILE . 52144 1 179 . ASP . 52144 1 180 . ASN . 52144 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 . GLN 1 1 52144 1 . ASP 2 2 52144 1 . SER 3 3 52144 1 . THR 4 4 52144 1 . GLN 5 5 52144 1 . ASN 6 6 52144 1 . LEU 7 7 52144 1 . ILE 8 8 52144 1 . PRO 9 9 52144 1 . ALA 10 10 52144 1 . PRO 11 11 52144 1 . SER 12 12 52144 1 . LEU 13 13 52144 1 . LEU 14 14 52144 1 . THR 15 15 52144 1 . VAL 16 16 52144 1 . PRO 17 17 52144 1 . LEU 18 18 52144 1 . GLN 19 19 52144 1 . PRO 20 20 52144 1 . ASP 21 21 52144 1 . PHE 22 22 52144 1 . ARG 23 23 52144 1 . SER 24 24 52144 1 . ASP 25 25 52144 1 . GLN 26 26 52144 1 . PHE 27 27 52144 1 . ARG 28 28 52144 1 . GLY 29 29 52144 1 . ARG 30 30 52144 1 . TRP 31 31 52144 1 . TYR 32 32 52144 1 . VAL 33 33 52144 1 . VAL 34 34 52144 1 . GLY 35 35 52144 1 . LEU 36 36 52144 1 . ALA 37 37 52144 1 . GLY 38 38 52144 1 . ASN 39 39 52144 1 . ALA 40 40 52144 1 . VAL 41 41 52144 1 . GLN 42 42 52144 1 . LYS 43 43 52144 1 . LYS 44 44 52144 1 . THR 45 45 52144 1 . GLU 46 46 52144 1 . GLY 47 47 52144 1 . SER 48 48 52144 1 . PHE 49 49 52144 1 . THR 50 50 52144 1 . MET 51 51 52144 1 . TYR 52 52 52144 1 . SER 53 53 52144 1 . THR 54 54 52144 1 . ILE 55 55 52144 1 . TYR 56 56 52144 1 . GLU 57 57 52144 1 . LEU 58 58 52144 1 . GLN 59 59 52144 1 . GLU 60 60 52144 1 . ASN 61 61 52144 1 . ASN 62 62 52144 1 . SER 63 63 52144 1 . TYR 64 64 52144 1 . ASN 65 65 52144 1 . VAL 66 66 52144 1 . THR 67 67 52144 1 . SER 68 68 52144 1 . ILE 69 69 52144 1 . LEU 70 70 52144 1 . VAL 71 71 52144 1 . ARG 72 72 52144 1 . ASP 73 73 52144 1 . GLN 74 74 52144 1 . ASP 75 75 52144 1 . GLN 76 76 52144 1 . GLY 77 77 52144 1 . CYS 78 78 52144 1 . ARG 79 79 52144 1 . TYR 80 80 52144 1 . TRP 81 81 52144 1 . ILE 82 82 52144 1 . ARG 83 83 52144 1 . THR 84 84 52144 1 . PHE 85 85 52144 1 . VAL 86 86 52144 1 . PRO 87 87 52144 1 . SER 88 88 52144 1 . SER 89 89 52144 1 . ARG 90 90 52144 1 . ALA 91 91 52144 1 . GLY 92 92 52144 1 . GLN 93 93 52144 1 . PHE 94 94 52144 1 . THR 95 95 52144 1 . LEU 96 96 52144 1 . GLY 97 97 52144 1 . ASN 98 98 52144 1 . MET 99 99 52144 1 . HIS 100 100 52144 1 . ARG 101 101 52144 1 . TYR 102 102 52144 1 . PRO 103 103 52144 1 . GLN 104 104 52144 1 . VAL 105 105 52144 1 . GLN 106 106 52144 1 . SER 107 107 52144 1 . TYR 108 108 52144 1 . ASN 109 109 52144 1 . VAL 110 110 52144 1 . GLN 111 111 52144 1 . VAL 112 112 52144 1 . ALA 113 113 52144 1 . THR 114 114 52144 1 . THR 115 115 52144 1 . ASP 116 116 52144 1 . TYR 117 117 52144 1 . ASN 118 118 52144 1 . GLN 119 119 52144 1 . PHE 120 120 52144 1 . ALA 121 121 52144 1 . MET 122 122 52144 1 . VAL 123 123 52144 1 . PHE 124 124 52144 1 . PHE 125 125 52144 1 . ARG 126 126 52144 1 . LYS 127 127 52144 1 . THR 128 128 52144 1 . SER 129 129 52144 1 . GLU 130 130 52144 1 . ASN 131 131 52144 1 . LYS 132 132 52144 1 . GLN 133 133 52144 1 . TYR 134 134 52144 1 . PHE 135 135 52144 1 . LYS 136 136 52144 1 . ILE 137 137 52144 1 . THR 138 138 52144 1 . LEU 139 139 52144 1 . TYR 140 140 52144 1 . GLY 141 141 52144 1 . ARG 142 142 52144 1 . THR 143 143 52144 1 . LYS 144 144 52144 1 . GLU 145 145 52144 1 . LEU 146 146 52144 1 . SER 147 147 52144 1 . PRO 148 148 52144 1 . GLU 149 149 52144 1 . LEU 150 150 52144 1 . LYS 151 151 52144 1 . GLU 152 152 52144 1 . ARG 153 153 52144 1 . PHE 154 154 52144 1 . THR 155 155 52144 1 . ARG 156 156 52144 1 . PHE 157 157 52144 1 . ALA 158 158 52144 1 . LYS 159 159 52144 1 . SER 160 160 52144 1 . LEU 161 161 52144 1 . GLY 162 162 52144 1 . LEU 163 163 52144 1 . LYS 164 164 52144 1 . ASP 165 165 52144 1 . ASP 166 166 52144 1 . ASN 167 167 52144 1 . ILE 168 168 52144 1 . ILE 169 169 52144 1 . PHE 170 170 52144 1 . SER 171 171 52144 1 . VAL 172 172 52144 1 . PRO 173 173 52144 1 . THR 174 174 52144 1 . ASP 175 175 52144 1 . GLN 176 176 52144 1 . CYS 177 177 52144 1 . ILE 178 178 52144 1 . ASP 179 179 52144 1 . ASN 180 180 52144 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 52144 _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 . 10090 organism . 'Mus musculus' Mouse . . Eukaryota Metazoa Mus musculus . . . . . . . . . . . Lcn2 . 52144 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 52144 _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' . . . Escherichia coli BL21 . . plasmid . . pET21a . . . 52144 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 52144 _Sample.ID 1 _Sample.Name 'Mouse siderocalin 13C 15N' _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number 1 _Sample.Solvent_system '95% H2O/5% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 'Mouse siderocalin' '[U-100% 13C; U-100% 15N]' . . 1 $entity_1 . . 500 . . uM . . . . 52144 1 2 D2O '[U-100% 2H]' . . . . . . 5 . . % . . . . 52144 1 3 DSS 'natural abundance' . . . . . . 1 . . mM . . . . 52144 1 4 'sodium phosphate' 'natural abundance' . . . . . . 100 . . mM . . . . 52144 1 stop_ save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode sample_conditions_1 _Sample_condition_list.Entry_ID 52144 _Sample_condition_list.ID 1 _Sample_condition_list.Name 'standard conditions' _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID 'ionic strength' 0.6 . M 52144 1 pH 6 . pH 52144 1 pressure 1 . atm 52144 1 temperature 298 . K 52144 1 stop_ save_ ############################ # Computer software used # ############################ save_software_1 _Software.Sf_category software _Software.Sf_framecode software_1 _Software.Entry_ID 52144 _Software.ID 1 _Software.Type . _Software.Name CcpNMR _Software.Version 3.1.1 _Software.DOI . _Software.Details AnalysisAssign loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' . 52144 1 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_NMR_spectrometer_1 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer_1 _NMR_spectrometer.Entry_ID 52144 _NMR_spectrometer.ID 1 _NMR_spectrometer.Name 'Bruker Avance AV-III 800' _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 800 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 52144 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NUS_flag _Experiment.Interleaved_flag _Experiment.NMR_spec_expt_ID _Experiment.NMR_spec_expt_label _Experiment.MS_expt_ID _Experiment.MS_expt_label _Experiment.SAXS_expt_ID _Experiment.SAXS_expt_label _Experiment.FRET_expt_ID _Experiment.FRET_expt_label _Experiment.EMR_expt_ID _Experiment.EMR_expt_label _Experiment.Sample_ID _Experiment.Sample_label _Experiment.Sample_state _Experiment.Sample_volume _Experiment.Sample_volume_units _Experiment.Sample_condition_list_ID _Experiment.Sample_condition_list_label _Experiment.Sample_spinning_rate _Experiment.Sample_angle _Experiment.NMR_tube_type _Experiment.NMR_spectrometer_ID _Experiment.NMR_spectrometer_label _Experiment.NMR_spectrometer_probe_ID _Experiment.NMR_spectrometer_probe_label _Experiment.NMR_spectral_processing_ID _Experiment.NMR_spectral_processing_label _Experiment.Mass_spectrometer_ID _Experiment.Mass_spectrometer_label _Experiment.Xray_instrument_ID _Experiment.Xray_instrument_label _Experiment.Fluorescence_instrument_ID _Experiment.Fluorescence_instrument_label _Experiment.EMR_instrument_ID _Experiment.EMR_instrument_label _Experiment.Chromatographic_system_ID _Experiment.Chromatographic_system_label _Experiment.Chromatographic_column_ID _Experiment.Chromatographic_column_label _Experiment.Details _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 '1D 1H' no yes no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 52144 1 2 '2D 1H-15N HSQC' no yes no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 52144 1 3 '3D HNCO' no yes no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 52144 1 4 '3D HNCA' no yes no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 52144 1 5 '3D HN(CA)CO' no yes no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 52144 1 6 '3D HN(CO)CA' no yes no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 52144 1 7 '3D CBCANH' no yes no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 52144 1 8 '3D CBCA(CO)NH' no yes no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 52144 1 stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chem_shift_reference_1 _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chem_shift_reference_1 _Chem_shift_reference.Entry_ID 52144 _Chem_shift_reference.ID 1 _Chem_shift_reference.Name mLcn2_chem_shifts _Chem_shift_reference.Details 'DSS as internal standard' 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 external indirect 0.251449530 . . . . . 52144 1 H 1 DSS 'methyl protons' . . . . ppm 0.00 internal direct 1.000000000 . . . . . 52144 1 N 15 DSS 'methyl protons' . . . . ppm 0.00 external indirect 0.10132912 . . . . . 52144 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 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chemical_shifts_1 _Assigned_chem_shift_list.Entry_ID 52144 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Name mLcn2_chem_shifts _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chem_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 2 '2D 1H-15N HSQC' . . . 52144 1 3 '3D HNCO' . . . 52144 1 4 '3D HNCA' . . . 52144 1 5 '3D HN(CA)CO' . . . 52144 1 6 '3D HN(CO)CA' . . . 52144 1 7 '3D CBCANH' . . . 52144 1 8 '3D CBCA(CO)NH' . . . 52144 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 1 $software_1 . . 52144 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 ASP H H 1 8.440791063 0.0012136313 . 1 . . . . . 2 ASP H . 52144 1 2 . 1 . 1 2 2 ASP CA C 13 54.00278266 0.0451528512 . 1 . . . . . 2 ASP CA . 52144 1 3 . 1 . 1 2 2 ASP CB C 13 41.22901657 . . 1 . . . . . 2 ASP CB . 52144 1 4 . 1 . 1 2 2 ASP N N 15 122.0238109 0.0242305426 . 1 . . . . . 2 ASP N . 52144 1 5 . 1 . 1 3 3 SER H H 1 8.394454294 0.0009921703 . 1 . . . . . 3 SER H . 52144 1 6 . 1 . 1 3 3 SER CA C 13 58.38804055 0.0112738481 . 1 . . . . . 3 SER CA . 52144 1 7 . 1 . 1 3 3 SER CB C 13 63.66714097 . . 1 . . . . . 3 SER CB . 52144 1 8 . 1 . 1 3 3 SER N N 15 116.9976546 0.0178695923 . 1 . . . . . 3 SER N . 52144 1 9 . 1 . 1 4 4 THR H H 1 8.183882536 0.0007264676 . 1 . . . . . 4 THR H . 52144 1 10 . 1 . 1 4 4 THR CA C 13 62.11951069 0.0050437779 . 1 . . . . . 4 THR CA . 52144 1 11 . 1 . 1 4 4 THR CB C 13 69.51378351 . . 1 . . . . . 4 THR CB . 52144 1 12 . 1 . 1 4 4 THR N N 15 115.3553772 0.0026381169 . 1 . . . . . 4 THR N . 52144 1 13 . 1 . 1 5 5 GLN H H 1 8.15793351 0.0007000938 . 1 . . . . . 5 GLN H . 52144 1 14 . 1 . 1 5 5 GLN CA C 13 55.54446548 0.0002375176 . 1 . . . . . 5 GLN CA . 52144 1 15 . 1 . 1 5 5 GLN CB C 13 29.46273044 . . 1 . . . . . 5 GLN CB . 52144 1 16 . 1 . 1 5 5 GLN N N 15 121.8930095 0.0035129447 . 1 . . . . . 5 GLN N . 52144 1 17 . 1 . 1 6 6 ASN H H 1 8.324735616 0.0007825874 . 1 . . . . . 6 ASN H . 52144 1 18 . 1 . 1 6 6 ASN CA C 13 52.7919566 0.0254336002 . 1 . . . . . 6 ASN CA . 52144 1 19 . 1 . 1 6 6 ASN CB C 13 38.98608921 . . 1 . . . . . 6 ASN CB . 52144 1 20 . 1 . 1 6 6 ASN N N 15 120.221165 0.0073009219 . 1 . . . . . 6 ASN N . 52144 1 21 . 1 . 1 7 7 LEU H H 1 8.051273125 0.0006059633 . 1 . . . . . 7 LEU H . 52144 1 22 . 1 . 1 7 7 LEU CA C 13 53.98940733 0.002471266 . 1 . . . . . 7 LEU CA . 52144 1 23 . 1 . 1 7 7 LEU CB C 13 43.14809795 . . 1 . . . . . 7 LEU CB . 52144 1 24 . 1 . 1 7 7 LEU N N 15 122.9667037 0.0135247969 . 1 . . . . . 7 LEU N . 52144 1 25 . 1 . 1 8 8 ILE H H 1 8.725322111 0.0024278958 . 1 . . . . . 8 ILE H . 52144 1 26 . 1 . 1 8 8 ILE CA C 13 59.95524609 0.0126780756 . 1 . . . . . 8 ILE CA . 52144 1 27 . 1 . 1 8 8 ILE CB C 13 39.27896028 . . 1 . . . . . 8 ILE CB . 52144 1 28 . 1 . 1 8 8 ILE N N 15 126.2882677 0.0148447468 . 1 . . . . . 8 ILE N . 52144 1 29 . 1 . 1 10 10 ALA H H 1 8.152757337 0.0009028143 . 1 . . . . . 10 ALA H . 52144 1 30 . 1 . 1 10 10 ALA CB C 13 18.09048054 . . 1 . . . . . 10 ALA CB . 52144 1 31 . 1 . 1 10 10 ALA N N 15 122.9948685 0.0067447037 . 1 . . . . . 10 ALA N . 52144 1 32 . 1 . 1 12 12 SER H H 1 8.180450491 0.0012076978 . 1 . . . . . 12 SER H . 52144 1 33 . 1 . 1 12 12 SER CA C 13 56.87085552 0.0156517584 . 1 . . . . . 12 SER CA . 52144 1 34 . 1 . 1 12 12 SER CB C 13 63.60253948 . . 1 . . . . . 12 SER CB . 52144 1 35 . 1 . 1 12 12 SER N N 15 114.259763 0.0228420594 . 1 . . . . . 12 SER N . 52144 1 36 . 1 . 1 13 13 LEU H H 1 8.695229391 0.0015551806 . 1 . . . . . 13 LEU H . 52144 1 37 . 1 . 1 13 13 LEU CA C 13 57.33566643 0.0261454341 . 1 . . . . . 13 LEU CA . 52144 1 38 . 1 . 1 13 13 LEU CB C 13 40.62841163 . . 1 . . . . . 13 LEU CB . 52144 1 39 . 1 . 1 13 13 LEU N N 15 125.7908508 0.0222498362 . 1 . . . . . 13 LEU N . 52144 1 40 . 1 . 1 14 14 LEU H H 1 7.596739066 0.001251272 . 1 . . . . . 14 LEU H . 52144 1 41 . 1 . 1 14 14 LEU CA C 13 56.17196209 0.0465233436 . 1 . . . . . 14 LEU CA . 52144 1 42 . 1 . 1 14 14 LEU CB C 13 41.68010925 . . 1 . . . . . 14 LEU CB . 52144 1 43 . 1 . 1 14 14 LEU N N 15 115.0964654 0.0092980692 . 1 . . . . . 14 LEU N . 52144 1 44 . 1 . 1 15 15 THR H H 1 7.370729282 0.0008695429 . 1 . . . . . 15 THR H . 52144 1 45 . 1 . 1 15 15 THR CA C 13 61.9914129 0.0431441385 . 1 . . . . . 15 THR CA . 52144 1 46 . 1 . 1 15 15 THR CB C 13 69.3497961 . . 1 . . . . . 15 THR CB . 52144 1 47 . 1 . 1 15 15 THR N N 15 110.8146615 0.0305233282 . 1 . . . . . 15 THR N . 52144 1 48 . 1 . 1 16 16 VAL H H 1 6.900464746 0.000786016 . 1 . . . . . 16 VAL H . 52144 1 49 . 1 . 1 16 16 VAL CA C 13 59.80769345 0.009325064 . 1 . . . . . 16 VAL CA . 52144 1 50 . 1 . 1 16 16 VAL CB C 13 32.63687432 . . 1 . . . . . 16 VAL CB . 52144 1 51 . 1 . 1 16 16 VAL N N 15 124.960783 0.0057529216 . 1 . . . . . 16 VAL N . 52144 1 52 . 1 . 1 18 18 LEU H H 1 7.743122482 0.0014322105 . 1 . . . . . 18 LEU H . 52144 1 53 . 1 . 1 18 18 LEU CA C 13 52.10285586 0.0268037025 . 1 . . . . . 18 LEU CA . 52144 1 54 . 1 . 1 18 18 LEU CB C 13 45.7809342 . . 1 . . . . . 18 LEU CB . 52144 1 55 . 1 . 1 18 18 LEU N N 15 121.7959454 0.0096459501 . 1 . . . . . 18 LEU N . 52144 1 56 . 1 . 1 19 19 GLN H H 1 8.255841197 0.0013986794 . 1 . . . . . 19 GLN H . 52144 1 57 . 1 . 1 19 19 GLN CA C 13 52.84977292 0.0197158617 . 1 . . . . . 19 GLN CA . 52144 1 58 . 1 . 1 19 19 GLN CB C 13 28.77585892 . . 1 . . . . . 19 GLN CB . 52144 1 59 . 1 . 1 19 19 GLN N N 15 130.1262364 0.0117485416 . 1 . . . . . 19 GLN N . 52144 1 60 . 1 . 1 21 21 ASP H H 1 8.669464642 0.0014539786 . 1 . . . . . 21 ASP H . 52144 1 61 . 1 . 1 21 21 ASP CA C 13 54.02118914 0.0486879836 . 1 . . . . . 21 ASP CA . 52144 1 62 . 1 . 1 21 21 ASP CB C 13 39.85227736 . . 1 . . . . . 21 ASP CB . 52144 1 63 . 1 . 1 21 21 ASP N N 15 120.5876469 0.0054306265 . 1 . . . . . 21 ASP N . 52144 1 64 . 1 . 1 22 22 PHE H H 1 7.838337054 0.0007957245 . 1 . . . . . 22 PHE H . 52144 1 65 . 1 . 1 22 22 PHE CA C 13 59.66424273 0.0223485564 . 1 . . . . . 22 PHE CA . 52144 1 66 . 1 . 1 22 22 PHE CB C 13 39.30845142 0 . 1 . . . . . 22 PHE CB . 52144 1 67 . 1 . 1 22 22 PHE N N 15 116.0141446 0.0080998531 . 1 . . . . . 22 PHE N . 52144 1 68 . 1 . 1 23 23 ARG H H 1 7.427914854 0.001395887 . 1 . . . . . 23 ARG H . 52144 1 69 . 1 . 1 23 23 ARG CA C 13 51.80353005 0.0324082737 . 1 . . . . . 23 ARG CA . 52144 1 70 . 1 . 1 23 23 ARG CB C 13 29.47123574 . . 1 . . . . . 23 ARG CB . 52144 1 71 . 1 . 1 23 23 ARG N N 15 128.2654205 0.0078833086 . 1 . . . . . 23 ARG N . 52144 1 72 . 1 . 1 24 24 SER H H 1 8.822753326 0.0011841835 . 1 . . . . . 24 SER H . 52144 1 73 . 1 . 1 24 24 SER CA C 13 59.92813764 0.0233611959 . 1 . . . . . 24 SER CA . 52144 1 74 . 1 . 1 24 24 SER CB C 13 62.83428496 . . 1 . . . . . 24 SER CB . 52144 1 75 . 1 . 1 24 24 SER N N 15 122.0998327 0.0208404775 . 1 . . . . . 24 SER N . 52144 1 76 . 1 . 1 25 25 ASP H H 1 9.032340386 0.0013902094 . 1 . . . . . 25 ASP H . 52144 1 77 . 1 . 1 25 25 ASP CA C 13 55.48717423 0.0129099217 . 1 . . . . . 25 ASP CA . 52144 1 78 . 1 . 1 25 25 ASP CB C 13 38.46754473 . . 1 . . . . . 25 ASP CB . 52144 1 79 . 1 . 1 25 25 ASP N N 15 119.8393692 0.0144092028 . 1 . . . . . 25 ASP N . 52144 1 80 . 1 . 1 26 26 GLN H H 1 6.887008992 0.0015156511 . 1 . . . . . 26 GLN H . 52144 1 81 . 1 . 1 26 26 GLN CA C 13 56.24078711 0.0396195383 . 1 . . . . . 26 GLN CA . 52144 1 82 . 1 . 1 26 26 GLN CB C 13 28.87709211 . . 1 . . . . . 26 GLN CB . 52144 1 83 . 1 . 1 26 26 GLN N N 15 117.8313389 0.0075562945 . 1 . . . . . 26 GLN N . 52144 1 84 . 1 . 1 27 27 PHE H H 1 7.421540596 0.0004783677 . 1 . . . . . 27 PHE H . 52144 1 85 . 1 . 1 27 27 PHE CA C 13 59.53434071 0 . 1 . . . . . 27 PHE CA . 52144 1 86 . 1 . 1 27 27 PHE CB C 13 41.34986937 0 . 1 . . . . . 27 PHE CB . 52144 1 87 . 1 . 1 27 27 PHE N N 15 118.9696351 0.00000302 . 1 . . . . . 27 PHE N . 52144 1 88 . 1 . 1 28 28 ARG H H 1 6.579037505 0.0006923669 . 1 . . . . . 28 ARG H . 52144 1 89 . 1 . 1 28 28 ARG CA C 13 55.43639882 0 . 1 . . . . . 28 ARG CA . 52144 1 90 . 1 . 1 28 28 ARG CB C 13 31.22768181 0 . 1 . . . . . 28 ARG CB . 52144 1 91 . 1 . 1 28 28 ARG N N 15 110.7557591 0.00000191 . 1 . . . . . 28 ARG N . 52144 1 92 . 1 . 1 29 29 GLY H H 1 9.483123007 0.0018361256 . 1 . . . . . 29 GLY H . 52144 1 93 . 1 . 1 29 29 GLY CA C 13 43.43897704 0 . 1 . . . . . 29 GLY CA . 52144 1 94 . 1 . 1 29 29 GLY N N 15 109.4950916 0.00000135 . 1 . . . . . 29 GLY N . 52144 1 95 . 1 . 1 30 30 ARG H H 1 8.51656642 0.0010999473 . 1 . . . . . 30 ARG H . 52144 1 96 . 1 . 1 30 30 ARG CA C 13 56.62989726 0.0572749557 . 1 . . . . . 30 ARG CA . 52144 1 97 . 1 . 1 30 30 ARG CB C 13 31.28285171 . . 1 . . . . . 30 ARG CB . 52144 1 98 . 1 . 1 30 30 ARG N N 15 121.0178409 0.0191550901 . 1 . . . . . 30 ARG N . 52144 1 99 . 1 . 1 31 31 TRP H H 1 8.890453284 0.0030521505 . 1 . . . . . 31 TRP H . 52144 1 100 . 1 . 1 31 31 TRP CA C 13 54.90892254 0.0562938139 . 1 . . . . . 31 TRP CA . 52144 1 101 . 1 . 1 31 31 TRP N N 15 130.1097092 0.0191660223 . 1 . . . . . 31 TRP N . 52144 1 102 . 1 . 1 32 32 TYR H H 1 9.7798155 0.0033798046 . 1 . . . . . 32 TYR H . 52144 1 103 . 1 . 1 32 32 TYR CA C 13 58.16821619 0.0129090008 . 1 . . . . . 32 TYR CA . 52144 1 104 . 1 . 1 32 32 TYR CB C 13 39.425573 . . 1 . . . . . 32 TYR CB . 52144 1 105 . 1 . 1 32 32 TYR N N 15 119.8466741 0.0216110486 . 1 . . . . . 32 TYR N . 52144 1 106 . 1 . 1 33 33 VAL H H 1 8.74507365 0.0028925783 . 1 . . . . . 33 VAL H . 52144 1 107 . 1 . 1 33 33 VAL CA C 13 64.3853749 0.0050880605 . 1 . . . . . 33 VAL CA . 52144 1 108 . 1 . 1 33 33 VAL CB C 13 30.43353099 . . 1 . . . . . 33 VAL CB . 52144 1 109 . 1 . 1 33 33 VAL N N 15 122.1635785 0.0269632122 . 1 . . . . . 33 VAL N . 52144 1 110 . 1 . 1 34 34 VAL H H 1 8.877740338 0.0036181472 . 1 . . . . . 34 VAL H . 52144 1 111 . 1 . 1 34 34 VAL CA C 13 63.79965185 0.0099878155 . 1 . . . . . 34 VAL CA . 52144 1 112 . 1 . 1 34 34 VAL N N 15 131.4583169 0.0132280109 . 1 . . . . . 34 VAL N . 52144 1 113 . 1 . 1 35 35 GLY H H 1 8.018430955 0.0024791406 . 1 . . . . . 35 GLY H . 52144 1 114 . 1 . 1 35 35 GLY CA C 13 45.17779686 0.0348129995 . 1 . . . . . 35 GLY CA . 52144 1 115 . 1 . 1 35 35 GLY N N 15 106.4230332 0.0098108978 . 1 . . . . . 35 GLY N . 52144 1 116 . 1 . 1 36 36 LEU H H 1 9.287989788 0.001605981 . 1 . . . . . 36 LEU H . 52144 1 117 . 1 . 1 36 36 LEU CA C 13 54.48213851 0.0103227672 . 1 . . . . . 36 LEU CA . 52144 1 118 . 1 . 1 36 36 LEU CB C 13 47.49618533 . . 1 . . . . . 36 LEU CB . 52144 1 119 . 1 . 1 36 36 LEU N N 15 123.0721979 0.0110937819 . 1 . . . . . 36 LEU N . 52144 1 120 . 1 . 1 37 37 ALA H H 1 8.934882928 0.0026029779 . 1 . . . . . 37 ALA H . 52144 1 121 . 1 . 1 37 37 ALA CA C 13 49.06612227 0.0059172207 . 1 . . . . . 37 ALA CA . 52144 1 122 . 1 . 1 37 37 ALA CB C 13 24.54780519 . . 1 . . . . . 37 ALA CB . 52144 1 123 . 1 . 1 37 37 ALA N N 15 124.6546399 0.0141654113 . 1 . . . . . 37 ALA N . 52144 1 124 . 1 . 1 38 38 GLY H H 1 7.932864935 0.0015121326 . 1 . . . . . 38 GLY H . 52144 1 125 . 1 . 1 38 38 GLY CA C 13 47.0115517 0.0392406809 . 1 . . . . . 38 GLY CA . 52144 1 126 . 1 . 1 38 38 GLY N N 15 106.5780483 0.0247141748 . 1 . . . . . 38 GLY N . 52144 1 127 . 1 . 1 39 39 ASN H H 1 7.519504928 0.000845155 . 1 . . . . . 39 ASN H . 52144 1 128 . 1 . 1 39 39 ASN CA C 13 54.15754189 0.0397895445 . 1 . . . . . 39 ASN CA . 52144 1 129 . 1 . 1 39 39 ASN CB C 13 37.2796226 . . 1 . . . . . 39 ASN CB . 52144 1 130 . 1 . 1 39 39 ASN N N 15 115.784513 0.0059163833 . 1 . . . . . 39 ASN N . 52144 1 131 . 1 . 1 40 40 ALA H H 1 9.180864454 0.004341564 . 1 . . . . . 40 ALA H . 52144 1 132 . 1 . 1 40 40 ALA CA C 13 50.73005357 0.024414326 . 1 . . . . . 40 ALA CA . 52144 1 133 . 1 . 1 40 40 ALA CB C 13 18.66805232 . . 1 . . . . . 40 ALA CB . 52144 1 134 . 1 . 1 40 40 ALA N N 15 123.5291199 0.0354833748 . 1 . . . . . 40 ALA N . 52144 1 135 . 1 . 1 41 41 VAL H H 1 6.804430343 0.001133367 . 1 . . . . . 41 VAL H . 52144 1 136 . 1 . 1 41 41 VAL CA C 13 62.36652298 0.0197934595 . 1 . . . . . 41 VAL CA . 52144 1 137 . 1 . 1 41 41 VAL CB C 13 32.50833536 . . 1 . . . . . 41 VAL CB . 52144 1 138 . 1 . 1 41 41 VAL N N 15 122.2049003 0.0118418372 . 1 . . . . . 41 VAL N . 52144 1 139 . 1 . 1 42 42 GLN H H 1 8.30084902 0.0027531949 . 1 . . . . . 42 GLN H . 52144 1 140 . 1 . 1 42 42 GLN CA C 13 53.59149237 0.0607620389 . 1 . . . . . 42 GLN CA . 52144 1 141 . 1 . 1 42 42 GLN CB C 13 31.00435304 . . 1 . . . . . 42 GLN CB . 52144 1 142 . 1 . 1 42 42 GLN N N 15 125.5341286 0.0214172267 . 1 . . . . . 42 GLN N . 52144 1 143 . 1 . 1 43 43 LYS H H 1 8.996241571 0.0022067185 . 1 . . . . . 43 LYS H . 52144 1 144 . 1 . 1 43 43 LYS CA C 13 58.2404216 0 . 1 . . . . . 43 LYS CA . 52144 1 145 . 1 . 1 43 43 LYS CB C 13 32.92166541 0.000000337 . 1 . . . . . 43 LYS CB . 52144 1 146 . 1 . 1 43 43 LYS N N 15 127.0249713 0.0025198941 . 1 . . . . . 43 LYS N . 52144 1 147 . 1 . 1 44 44 LYS H H 1 8.808549443 0.000556198 . 1 . . . . . 44 LYS H . 52144 1 148 . 1 . 1 44 44 LYS CA C 13 57.35053276 0.0101003812 . 1 . . . . . 44 LYS CA . 52144 1 149 . 1 . 1 44 44 LYS N N 15 119.9486031 0.0633529551 . 1 . . . . . 44 LYS N . 52144 1 150 . 1 . 1 45 45 THR H H 1 7.748815741 0.0035394428 . 1 . . . . . 45 THR H . 52144 1 151 . 1 . 1 45 45 THR CA C 13 62.87251642 0.0306146215 . 1 . . . . . 45 THR CA . 52144 1 152 . 1 . 1 45 45 THR CB C 13 69.19726303 . . 1 . . . . . 45 THR CB . 52144 1 153 . 1 . 1 45 45 THR N N 15 112.0733408 0.0168098634 . 1 . . . . . 45 THR N . 52144 1 154 . 1 . 1 46 46 GLU H H 1 8.082150648 0.00250134 . 1 . . . . . 46 GLU H . 52144 1 155 . 1 . 1 46 46 GLU CA C 13 56.8518256 0.00231157 . 1 . . . . . 46 GLU CA . 52144 1 156 . 1 . 1 46 46 GLU CB C 13 30.59256519 . . 1 . . . . . 46 GLU CB . 52144 1 157 . 1 . 1 46 46 GLU N N 15 121.5752945 0.0092239714 . 1 . . . . . 46 GLU N . 52144 1 158 . 1 . 1 47 47 GLY H H 1 8.268440783 0.0014363353 . 1 . . . . . 47 GLY H . 52144 1 159 . 1 . 1 47 47 GLY CA C 13 45.74335253 0.0179122403 . 1 . . . . . 47 GLY CA . 52144 1 160 . 1 . 1 47 47 GLY N N 15 108.5073539 0.0151458067 . 1 . . . . . 47 GLY N . 52144 1 161 . 1 . 1 48 48 SER H H 1 8.124557869 0.000778062 . 1 . . . . . 48 SER H . 52144 1 162 . 1 . 1 48 48 SER CA C 13 57.56181164 0.0369282569 . 1 . . . . . 48 SER CA . 52144 1 163 . 1 . 1 48 48 SER CB C 13 64.20413062 . . 1 . . . . . 48 SER CB . 52144 1 164 . 1 . 1 48 48 SER N N 15 113.8556429 0.0067917321 . 1 . . . . . 48 SER N . 52144 1 165 . 1 . 1 49 49 PHE H H 1 7.994991059 0.0029716019 . 1 . . . . . 49 PHE H . 52144 1 166 . 1 . 1 49 49 PHE CB C 13 39.86166094 0 . 1 . . . . . 49 PHE CB . 52144 1 167 . 1 . 1 49 49 PHE N N 15 120.7886783 0.00000135 . 1 . . . . . 49 PHE N . 52144 1 168 . 1 . 1 50 50 THR H H 1 8.80269304 0.0021939132 . 1 . . . . . 50 THR H . 52144 1 169 . 1 . 1 50 50 THR CA C 13 63.72466137 0.0133418577 . 1 . . . . . 50 THR CA . 52144 1 170 . 1 . 1 50 50 THR CB C 13 68.44765057 . . 1 . . . . . 50 THR CB . 52144 1 171 . 1 . 1 50 50 THR N N 15 123.7469443 0.0208400419 . 1 . . . . . 50 THR N . 52144 1 172 . 1 . 1 51 51 MET H H 1 8.435112822 0.0027713352 . 1 . . . . . 51 MET H . 52144 1 173 . 1 . 1 51 51 MET CA C 13 58.62206144 0 . 1 . . . . . 51 MET CA . 52144 1 174 . 1 . 1 51 51 MET CB C 13 35.45359096 0 . 1 . . . . . 51 MET CB . 52144 1 175 . 1 . 1 51 51 MET N N 15 126.8276679 0.00000357 . 1 . . . . . 51 MET N . 52144 1 176 . 1 . 1 52 52 TYR H H 1 6.505316615 0.0026962247 . 1 . . . . . 52 TYR H . 52144 1 177 . 1 . 1 52 52 TYR CA C 13 54.02907156 0.0841769038 . 1 . . . . . 52 TYR CA . 52144 1 178 . 1 . 1 52 52 TYR CB C 13 40.92176238 . . 1 . . . . . 52 TYR CB . 52144 1 179 . 1 . 1 52 52 TYR N N 15 117.7755934 0.0235196593 . 1 . . . . . 52 TYR N . 52144 1 180 . 1 . 1 53 53 SER H H 1 8.591867574 0.0015482071 . 1 . . . . . 53 SER H . 52144 1 181 . 1 . 1 53 53 SER CA C 13 55.01780497 0.0131735826 . 1 . . . . . 53 SER CA . 52144 1 182 . 1 . 1 53 53 SER CB C 13 67.57549756 . . 1 . . . . . 53 SER CB . 52144 1 183 . 1 . 1 53 53 SER N N 15 114.4057988 0.0093360486 . 1 . . . . . 53 SER N . 52144 1 184 . 1 . 1 54 54 THR H H 1 9.142673739 0.0019770524 . 1 . . . . . 54 THR H . 52144 1 185 . 1 . 1 54 54 THR CA C 13 61.44289016 0.0024766254 . 1 . . . . . 54 THR CA . 52144 1 186 . 1 . 1 54 54 THR CB C 13 72.996 . . 1 . . . . . 54 THR CB . 52144 1 187 . 1 . 1 54 54 THR N N 15 115.1019581 0.0260681697 . 1 . . . . . 54 THR N . 52144 1 188 . 1 . 1 55 55 ILE H H 1 9.433310983 0.0035096834 . 1 . . . . . 55 ILE H . 52144 1 189 . 1 . 1 55 55 ILE CA C 13 59.91544509 0.0303531121 . 1 . . . . . 55 ILE CA . 52144 1 190 . 1 . 1 55 55 ILE CB C 13 39.93614555 . . 1 . . . . . 55 ILE CB . 52144 1 191 . 1 . 1 55 55 ILE N N 15 126.9269904 0.0130783539 . 1 . . . . . 55 ILE N . 52144 1 192 . 1 . 1 56 56 TYR H H 1 8.855306282 0.003818586 . 1 . . . . . 56 TYR H . 52144 1 193 . 1 . 1 56 56 TYR CA C 13 57.20689893 0.0136376184 . 1 . . . . . 56 TYR CA . 52144 1 194 . 1 . 1 56 56 TYR CB C 13 38.69184355 . . 1 . . . . . 56 TYR CB . 52144 1 195 . 1 . 1 56 56 TYR N N 15 128.1258867 0.0154323799 . 1 . . . . . 56 TYR N . 52144 1 196 . 1 . 1 57 57 GLU H H 1 8.888464588 0.0032529616 . 1 . . . . . 57 GLU H . 52144 1 197 . 1 . 1 57 57 GLU CA C 13 54.85237914 0.0359493837 . 1 . . . . . 57 GLU CA . 52144 1 198 . 1 . 1 57 57 GLU CB C 13 31.32769787 . . 1 . . . . . 57 GLU CB . 52144 1 199 . 1 . 1 57 57 GLU N N 15 125.212022 0.0152474096 . 1 . . . . . 57 GLU N . 52144 1 200 . 1 . 1 58 58 LEU H H 1 8.943593841 0.0018341912 . 1 . . . . . 58 LEU H . 52144 1 201 . 1 . 1 58 58 LEU CA C 13 55.7361582 0.0102272425 . 1 . . . . . 58 LEU CA . 52144 1 202 . 1 . 1 58 58 LEU CB C 13 43.73635838 . . 1 . . . . . 58 LEU CB . 52144 1 203 . 1 . 1 58 58 LEU N N 15 132.6143353 0.0226925628 . 1 . . . . . 58 LEU N . 52144 1 204 . 1 . 1 60 60 GLU H H 1 8.741586226 0.0010168741 . 1 . . . . . 60 GLU H . 52144 1 205 . 1 . 1 60 60 GLU CA C 13 58.63098916 . . 1 . . . . . 60 GLU CA . 52144 1 206 . 1 . 1 60 60 GLU CB C 13 29.36480045 0 . 1 . . . . . 60 GLU CB . 52144 1 207 . 1 . 1 60 60 GLU N N 15 121.5331575 0.0141801981 . 1 . . . . . 60 GLU N . 52144 1 208 . 1 . 1 61 61 ASN H H 1 7.947144787 0.0020607135 . 1 . . . . . 61 ASN H . 52144 1 209 . 1 . 1 61 61 ASN CA C 13 52.46400948 0.0661601644 . 1 . . . . . 61 ASN CA . 52144 1 210 . 1 . 1 61 61 ASN CB C 13 37.07250093 0.0042110011 . 1 . . . . . 61 ASN CB . 52144 1 211 . 1 . 1 61 61 ASN N N 15 114.7827014 0.0121048575 . 1 . . . . . 61 ASN N . 52144 1 212 . 1 . 1 62 62 ASN H H 1 8.21767318 0.001059786 . 1 . . . . . 62 ASN H . 52144 1 213 . 1 . 1 62 62 ASN CA C 13 55.19552471 0.0438338471 . 1 . . . . . 62 ASN CA . 52144 1 214 . 1 . 1 62 62 ASN CB C 13 37.35075073 . . 1 . . . . . 62 ASN CB . 52144 1 215 . 1 . 1 62 62 ASN N N 15 111.8532357 0.0192609093 . 1 . . . . . 62 ASN N . 52144 1 216 . 1 . 1 63 63 SER H H 1 7.433146039 0.0021467231 . 1 . . . . . 63 SER H . 52144 1 217 . 1 . 1 63 63 SER CA C 13 58.01153852 0.0420025974 . 1 . . . . . 63 SER CA . 52144 1 218 . 1 . 1 63 63 SER CB C 13 65.29354503 . . 1 . . . . . 63 SER CB . 52144 1 219 . 1 . 1 63 63 SER N N 15 110.7399218 0.0475209729 . 1 . . . . . 63 SER N . 52144 1 220 . 1 . 1 64 64 TYR H H 1 8.88405232 0.0019702952 . 1 . . . . . 64 TYR H . 52144 1 221 . 1 . 1 64 64 TYR CA C 13 56.22631646 0.0135485861 . 1 . . . . . 64 TYR CA . 52144 1 222 . 1 . 1 64 64 TYR CB C 13 42.74152569 . . 1 . . . . . 64 TYR CB . 52144 1 223 . 1 . 1 64 64 TYR N N 15 114.214228 0.0204832396 . 1 . . . . . 64 TYR N . 52144 1 224 . 1 . 1 65 65 ASN H H 1 9.068714552 0.0027631029 . 1 . . . . . 65 ASN H . 52144 1 225 . 1 . 1 65 65 ASN CA C 13 52.9720766 0.001176205 . 1 . . . . . 65 ASN CA . 52144 1 226 . 1 . 1 65 65 ASN CB C 13 39.03995973 . . 1 . . . . . 65 ASN CB . 52144 1 227 . 1 . 1 65 65 ASN N N 15 121.5344467 0.0226991285 . 1 . . . . . 65 ASN N . 52144 1 228 . 1 . 1 66 66 VAL H H 1 9.178618708 0.0033012551 . 1 . . . . . 66 VAL H . 52144 1 229 . 1 . 1 66 66 VAL CA C 13 61.0271448 0.0311294195 . 1 . . . . . 66 VAL CA . 52144 1 230 . 1 . 1 66 66 VAL CB C 13 32.3671888 . . 1 . . . . . 66 VAL CB . 52144 1 231 . 1 . 1 66 66 VAL N N 15 130.5514827 0.014514171 . 1 . . . . . 66 VAL N . 52144 1 232 . 1 . 1 67 67 THR H H 1 8.567202503 0.0019736685 . 1 . . . . . 67 THR H . 52144 1 233 . 1 . 1 67 67 THR CA C 13 61.22183005 0.0132890303 . 1 . . . . . 67 THR CA . 52144 1 234 . 1 . 1 67 67 THR CB C 13 70.65984475 . . 1 . . . . . 67 THR CB . 52144 1 235 . 1 . 1 67 67 THR N N 15 124.9869718 0.0229891904 . 1 . . . . . 67 THR N . 52144 1 236 . 1 . 1 68 68 SER H H 1 9.435631636 0.0036792362 . 1 . . . . . 68 SER H . 52144 1 237 . 1 . 1 68 68 SER CA C 13 57.25435887 0.0545831131 . 1 . . . . . 68 SER CA . 52144 1 238 . 1 . 1 68 68 SER CB C 13 64.62305411 . . 1 . . . . . 68 SER CB . 52144 1 239 . 1 . 1 68 68 SER N N 15 124.0622597 0.0145761079 . 1 . . . . . 68 SER N . 52144 1 240 . 1 . 1 70 70 LEU H H 1 8.535571429 0.0035516678 . 1 . . . . . 70 LEU H . 52144 1 241 . 1 . 1 70 70 LEU CA C 13 53.06061923 0.0233690083 . 1 . . . . . 70 LEU CA . 52144 1 242 . 1 . 1 70 70 LEU CB C 13 45.09335509 0.0088859513 . 1 . . . . . 70 LEU CB . 52144 1 243 . 1 . 1 70 70 LEU N N 15 123.317931 0.0214629419 . 1 . . . . . 70 LEU N . 52144 1 244 . 1 . 1 71 71 VAL H H 1 9.008971922 0.0019402893 . 1 . . . . . 71 VAL H . 52144 1 245 . 1 . 1 71 71 VAL CA C 13 61.99846886 0 . 1 . . . . . 71 VAL CA . 52144 1 246 . 1 . 1 71 71 VAL CB C 13 32.65725589 0 . 1 . . . . . 71 VAL CB . 52144 1 247 . 1 . 1 71 71 VAL N N 15 120.3272993 0.00000234 . 1 . . . . . 71 VAL N . 52144 1 248 . 1 . 1 72 72 ARG H H 1 8.458083155 0.0026483753 . 1 . . . . . 72 ARG H . 52144 1 249 . 1 . 1 72 72 ARG CA C 13 55.96140085 0.0106687518 . 1 . . . . . 72 ARG CA . 52144 1 250 . 1 . 1 72 72 ARG CB C 13 31.20871665 . . 1 . . . . . 72 ARG CB . 52144 1 251 . 1 . 1 72 72 ARG N N 15 127.0795914 0.0354355435 . 1 . . . . . 72 ARG N . 52144 1 252 . 1 . 1 73 73 ASP H H 1 8.225204199 0.0004650522 . 1 . . . . . 73 ASP H . 52144 1 253 . 1 . 1 73 73 ASP CA C 13 55.27265042 . . 1 . . . . . 73 ASP CA . 52144 1 254 . 1 . 1 73 73 ASP CB C 13 41.23235863 0 . 1 . . . . . 73 ASP CB . 52144 1 255 . 1 . 1 73 73 ASP N N 15 121.1835273 0.0535897966 . 1 . . . . . 73 ASP N . 52144 1 256 . 1 . 1 74 74 GLN H H 1 8.628569892 0.0006755921 . 1 . . . . . 74 GLN H . 52144 1 257 . 1 . 1 74 74 GLN CA C 13 57.37510841 0.0240431545 . 1 . . . . . 74 GLN CA . 52144 1 258 . 1 . 1 74 74 GLN CB C 13 27.83601897 . . 1 . . . . . 74 GLN CB . 52144 1 259 . 1 . 1 74 74 GLN N N 15 116.042058 0.0064806138 . 1 . . . . . 74 GLN N . 52144 1 260 . 1 . 1 75 75 ASP H H 1 8.01143477 0.0044524231 . 1 . . . . . 75 ASP H . 52144 1 261 . 1 . 1 75 75 ASP CA C 13 53.91556567 0.0891058975 . 1 . . . . . 75 ASP CA . 52144 1 262 . 1 . 1 75 75 ASP CB C 13 40.82061152 . . 1 . . . . . 75 ASP CB . 52144 1 263 . 1 . 1 75 75 ASP N N 15 115.9207965 0.0151641309 . 1 . . . . . 75 ASP N . 52144 1 264 . 1 . 1 76 76 GLN H H 1 7.755957818 0.0022653312 . 1 . . . . . 76 GLN H . 52144 1 265 . 1 . 1 76 76 GLN CA C 13 56.1905035 0.002104467 . 1 . . . . . 76 GLN CA . 52144 1 266 . 1 . 1 76 76 GLN CB C 13 28.49908923 . . 1 . . . . . 76 GLN CB . 52144 1 267 . 1 . 1 76 76 GLN N N 15 115.2800604 0.018201745 . 1 . . . . . 76 GLN N . 52144 1 268 . 1 . 1 77 77 GLY H H 1 8.165714927 0.0009591156 . 1 . . . . . 77 GLY H . 52144 1 269 . 1 . 1 77 77 GLY CA C 13 44.28115477 0.0258923105 . 1 . . . . . 77 GLY CA . 52144 1 270 . 1 . 1 77 77 GLY N N 15 107.4015635 0.0109859185 . 1 . . . . . 77 GLY N . 52144 1 271 . 1 . 1 78 78 CYS H H 1 8.941055242 0.002222964 . 1 . . . . . 78 CYS H . 52144 1 272 . 1 . 1 78 78 CYS CA C 13 53.76270126 0.0421242393 . 1 . . . . . 78 CYS CA . 52144 1 273 . 1 . 1 78 78 CYS CB C 13 36.97542186 . . 1 . . . . . 78 CYS CB . 52144 1 274 . 1 . 1 78 78 CYS N N 15 116.7588792 0.0080115136 . 1 . . . . . 78 CYS N . 52144 1 275 . 1 . 1 79 79 ARG H H 1 8.333822597 0.0030272923 . 1 . . . . . 79 ARG H . 52144 1 276 . 1 . 1 79 79 ARG CA C 13 58.65397606 0.0016135041 . 1 . . . . . 79 ARG CA . 52144 1 277 . 1 . 1 79 79 ARG CB C 13 32.56159414 0 . 1 . . . . . 79 ARG CB . 52144 1 278 . 1 . 1 79 79 ARG N N 15 116.2221532 0.0246584307 . 1 . . . . . 79 ARG N . 52144 1 279 . 1 . 1 88 88 SER H H 1 7.751836002 0.0014194514 . 1 . . . . . 88 SER H . 52144 1 280 . 1 . 1 88 88 SER CA C 13 54.62680662 0.0181237279 . 1 . . . . . 88 SER CA . 52144 1 281 . 1 . 1 88 88 SER CB C 13 63.19478145 . . 1 . . . . . 88 SER CB . 52144 1 282 . 1 . 1 88 88 SER N N 15 118.1776669 0.0108769808 . 1 . . . . . 88 SER N . 52144 1 283 . 1 . 1 89 89 SER H H 1 8.251466195 0.0009800851 . 1 . . . . . 89 SER H . 52144 1 284 . 1 . 1 89 89 SER CA C 13 61.18646148 0.0113881507 . 1 . . . . . 89 SER CA . 52144 1 285 . 1 . 1 89 89 SER N N 15 115.6781961 0.052754587 . 1 . . . . . 89 SER N . 52144 1 286 . 1 . 1 90 90 ARG H H 1 7.420059162 0.0004629109 . 1 . . . . . 90 ARG H . 52144 1 287 . 1 . 1 90 90 ARG CA C 13 53.754749 0.0584063979 . 1 . . . . . 90 ARG CA . 52144 1 288 . 1 . 1 90 90 ARG CB C 13 32.76095299 . . 1 . . . . . 90 ARG CB . 52144 1 289 . 1 . 1 90 90 ARG N N 15 118.6132687 0.0093059892 . 1 . . . . . 90 ARG N . 52144 1 290 . 1 . 1 91 91 ALA H H 1 8.430015337 0.0012186398 . 1 . . . . . 91 ALA H . 52144 1 291 . 1 . 1 91 91 ALA CA C 13 52.91297233 0.0051373739 . 1 . . . . . 91 ALA CA . 52144 1 292 . 1 . 1 91 91 ALA CB C 13 18.31829461 . . 1 . . . . . 91 ALA CB . 52144 1 293 . 1 . 1 91 91 ALA N N 15 125.577431 0.0089380493 . 1 . . . . . 91 ALA N . 52144 1 294 . 1 . 1 92 92 GLY H H 1 8.278054487 0.0022809523 . 1 . . . . . 92 GLY H . 52144 1 295 . 1 . 1 92 92 GLY CA C 13 43.9755413 0.0434851695 . 1 . . . . . 92 GLY CA . 52144 1 296 . 1 . 1 92 92 GLY N N 15 111.3496959 0.0116700862 . 1 . . . . . 92 GLY N . 52144 1 297 . 1 . 1 93 93 GLN H H 1 7.554850255 0.0016559615 . 1 . . . . . 93 GLN H . 52144 1 298 . 1 . 1 93 93 GLN CA C 13 53.51669949 0.047981758 . 1 . . . . . 93 GLN CA . 52144 1 299 . 1 . 1 93 93 GLN CB C 13 31.8663995 . . 1 . . . . . 93 GLN CB . 52144 1 300 . 1 . 1 93 93 GLN N N 15 118.241091 0.0239569296 . 1 . . . . . 93 GLN N . 52144 1 301 . 1 . 1 94 94 PHE H H 1 9.261181909 0.0034026411 . 1 . . . . . 94 PHE H . 52144 1 302 . 1 . 1 94 94 PHE CA C 13 56.1103598 0.0242305984 . 1 . . . . . 94 PHE CA . 52144 1 303 . 1 . 1 94 94 PHE CB C 13 44.09238565 . . 1 . . . . . 94 PHE CB . 52144 1 304 . 1 . 1 94 94 PHE N N 15 120.1078024 0.0200478691 . 1 . . . . . 94 PHE N . 52144 1 305 . 1 . 1 95 95 THR H H 1 9.415362566 0.0025005385 . 1 . . . . . 95 THR H . 52144 1 306 . 1 . 1 95 95 THR CA C 13 59.7995244 0.0063765424 . 1 . . . . . 95 THR CA . 52144 1 307 . 1 . 1 95 95 THR CB C 13 70.96193348 . . 1 . . . . . 95 THR CB . 52144 1 308 . 1 . 1 95 95 THR N N 15 114.0987509 0.0183962955 . 1 . . . . . 95 THR N . 52144 1 309 . 1 . 1 96 96 LEU H H 1 7.749486131 0.0016560053 . 1 . . . . . 96 LEU H . 52144 1 310 . 1 . 1 96 96 LEU CA C 13 54.63362027 0.0357556771 . 1 . . . . . 96 LEU CA . 52144 1 311 . 1 . 1 96 96 LEU CB C 13 43.42600419 . . 1 . . . . . 96 LEU CB . 52144 1 312 . 1 . 1 96 96 LEU N N 15 122.4413027 0.0169208741 . 1 . . . . . 96 LEU N . 52144 1 313 . 1 . 1 97 97 GLY H H 1 9.194932423 0.001726578 . 1 . . . . . 97 GLY H . 52144 1 314 . 1 . 1 97 97 GLY CA C 13 44.69948122 0.0250221268 . 1 . . . . . 97 GLY CA . 52144 1 315 . 1 . 1 97 97 GLY N N 15 113.7396436 0.0125297081 . 1 . . . . . 97 GLY N . 52144 1 316 . 1 . 1 100 100 HIS H H 1 8.741626021 0.000935816 . 1 . . . . . 100 HIS H . 52144 1 317 . 1 . 1 100 100 HIS CA C 13 54.13834618 . . 1 . . . . . 100 HIS CA . 52144 1 318 . 1 . 1 100 100 HIS CB C 13 34.30955578 0 . 1 . . . . . 100 HIS CB . 52144 1 319 . 1 . 1 100 100 HIS N N 15 121.525037 0.0102577108 . 1 . . . . . 100 HIS N . 52144 1 320 . 1 . 1 101 101 ARG H H 1 9.006751847 0.0054907093 . 1 . . . . . 101 ARG H . 52144 1 321 . 1 . 1 101 101 ARG CA C 13 54.55481777 0 . 1 . . . . . 101 ARG CA . 52144 1 322 . 1 . 1 101 101 ARG CB C 13 36.60890873 0 . 1 . . . . . 101 ARG CB . 52144 1 323 . 1 . 1 101 101 ARG N N 15 127.0263157 0.0046572705 . 1 . . . . . 101 ARG N . 52144 1 324 . 1 . 1 102 102 TYR H H 1 8.412950056 0.0026572743 . 1 . . . . . 102 TYR H . 52144 1 325 . 1 . 1 102 102 TYR CA C 13 60.71388628 0.0274990283 . 1 . . . . . 102 TYR CA . 52144 1 326 . 1 . 1 102 102 TYR CB C 13 41.24262785 0 . 1 . . . . . 102 TYR CB . 52144 1 327 . 1 . 1 102 102 TYR N N 15 120.737955 0.0190129227 . 1 . . . . . 102 TYR N . 52144 1 328 . 1 . 1 106 106 GLN H H 1 8.750861379 0.0026590138 . 1 . . . . . 106 GLN H . 52144 1 329 . 1 . 1 106 106 GLN CA C 13 57.14751562 0.0213098472 . 1 . . . . . 106 GLN CA . 52144 1 330 . 1 . 1 106 106 GLN CB C 13 30.38781497 . . 1 . . . . . 106 GLN CB . 52144 1 331 . 1 . 1 106 106 GLN N N 15 124.7970629 0.0184782502 . 1 . . . . . 106 GLN N . 52144 1 332 . 1 . 1 107 107 SER H H 1 7.795192793 0.001293025 . 1 . . . . . 107 SER H . 52144 1 333 . 1 . 1 107 107 SER CA C 13 58.0438462 0.0394930248 . 1 . . . . . 107 SER CA . 52144 1 334 . 1 . 1 107 107 SER CB C 13 64.8433513 . . 1 . . . . . 107 SER CB . 52144 1 335 . 1 . 1 107 107 SER N N 15 111.8879339 0.0098533758 . 1 . . . . . 107 SER N . 52144 1 336 . 1 . 1 108 108 TYR H H 1 8.831052529 0.0011137413 . 1 . . . . . 108 TYR H . 52144 1 337 . 1 . 1 108 108 TYR CA C 13 58.41489675 0.0005117091 . 1 . . . . . 108 TYR CA . 52144 1 338 . 1 . 1 108 108 TYR CB C 13 41.6683734 0 . 1 . . . . . 108 TYR CB . 52144 1 339 . 1 . 1 108 108 TYR N N 15 125.6555582 0.0082647787 . 1 . . . . . 108 TYR N . 52144 1 340 . 1 . 1 109 109 ASN H H 1 9.051122952 0.0025860893 . 1 . . . . . 109 ASN H . 52144 1 341 . 1 . 1 109 109 ASN CA C 13 52.90237723 0.0019865278 . 1 . . . . . 109 ASN CA . 52144 1 342 . 1 . 1 109 109 ASN CB C 13 44.38683893 . . 1 . . . . . 109 ASN CB . 52144 1 343 . 1 . 1 109 109 ASN N N 15 125.1029743 0.0189110629 . 1 . . . . . 109 ASN N . 52144 1 344 . 1 . 1 110 110 VAL H H 1 8.460385131 0.0024785361 . 1 . . . . . 110 VAL H . 52144 1 345 . 1 . 1 110 110 VAL CA C 13 59.90977717 0.0035710638 . 1 . . . . . 110 VAL CA . 52144 1 346 . 1 . 1 110 110 VAL CB C 13 35.52418604 . . 1 . . . . . 110 VAL CB . 52144 1 347 . 1 . 1 110 110 VAL N N 15 120.7703566 0.0095295151 . 1 . . . . . 110 VAL N . 52144 1 348 . 1 . 1 111 111 GLN H H 1 9.580606199 0.0024250308 . 1 . . . . . 111 GLN H . 52144 1 349 . 1 . 1 111 111 GLN CA C 13 55.16257877 0.0431183211 . 1 . . . . . 111 GLN CA . 52144 1 350 . 1 . 1 111 111 GLN CB C 13 34.10534627 . . 1 . . . . . 111 GLN CB . 52144 1 351 . 1 . 1 111 111 GLN N N 15 127.1882322 0.0218701124 . 1 . . . . . 111 GLN N . 52144 1 352 . 1 . 1 112 112 VAL H H 1 8.479635941 0.003513123 . 1 . . . . . 112 VAL H . 52144 1 353 . 1 . 1 112 112 VAL CA C 13 63.62111837 0.0491637607 . 1 . . . . . 112 VAL CA . 52144 1 354 . 1 . 1 112 112 VAL CB C 13 30.26583756 . . 1 . . . . . 112 VAL CB . 52144 1 355 . 1 . 1 112 112 VAL N N 15 127.8841855 0.0260722443 . 1 . . . . . 112 VAL N . 52144 1 356 . 1 . 1 113 113 ALA H H 1 7.98419361 0.0025493628 . 1 . . . . . 113 ALA H . 52144 1 357 . 1 . 1 113 113 ALA CA C 13 53.45627125 0.0538861857 . 1 . . . . . 113 ALA CA . 52144 1 358 . 1 . 1 113 113 ALA CB C 13 19.96355236 . . 1 . . . . . 113 ALA CB . 52144 1 359 . 1 . 1 113 113 ALA N N 15 134.2375017 0.0264740332 . 1 . . . . . 113 ALA N . 52144 1 360 . 1 . 1 114 114 THR H H 1 7.0129883 0.0013695059 . 1 . . . . . 114 THR H . 52144 1 361 . 1 . 1 114 114 THR CA C 13 59.48803078 0.0238607574 . 1 . . . . . 114 THR CA . 52144 1 362 . 1 . 1 114 114 THR CB C 13 68.78055 . . 1 . . . . . 114 THR CB . 52144 1 363 . 1 . 1 114 114 THR N N 15 106.6069093 0.0131358413 . 1 . . . . . 114 THR N . 52144 1 364 . 1 . 1 115 115 THR H H 1 7.945756547 0.0006580067 . 1 . . . . . 115 THR H . 52144 1 365 . 1 . 1 115 115 THR CA C 13 59.76734997 0.0146779235 . 1 . . . . . 115 THR CA . 52144 1 366 . 1 . 1 115 115 THR N N 15 120.7871621 0.0010903797 . 1 . . . . . 115 THR N . 52144 1 367 . 1 . 1 116 116 ASP H H 1 6.936485787 0.0016383751 . 1 . . . . . 116 ASP H . 52144 1 368 . 1 . 1 116 116 ASP CA C 13 52.50389842 0.0525263517 . 1 . . . . . 116 ASP CA . 52144 1 369 . 1 . 1 116 116 ASP CB C 13 41.99612649 . . 1 . . . . . 116 ASP CB . 52144 1 370 . 1 . 1 116 116 ASP N N 15 122.9830494 0.0210727505 . 1 . . . . . 116 ASP N . 52144 1 371 . 1 . 1 117 117 TYR H H 1 8.916010332 0.0021593144 . 1 . . . . . 117 TYR H . 52144 1 372 . 1 . 1 117 117 TYR CA C 13 65.71581245 0.0033652622 . 1 . . . . . 117 TYR CA . 52144 1 373 . 1 . 1 117 117 TYR N N 15 115.5355536 0.0196327463 . 1 . . . . . 117 TYR N . 52144 1 374 . 1 . 1 118 118 ASN H H 1 9.273378996 0.0015907003 . 1 . . . . . 118 ASN H . 52144 1 375 . 1 . 1 118 118 ASN CA C 13 52.68862672 0.0349330471 . 1 . . . . . 118 ASN CA . 52144 1 376 . 1 . 1 118 118 ASN CB C 13 39.62574124 . . 1 . . . . . 118 ASN CB . 52144 1 377 . 1 . 1 118 118 ASN N N 15 118.5982877 0.0205593316 . 1 . . . . . 118 ASN N . 52144 1 378 . 1 . 1 119 119 GLN H H 1 8.724832008 0.0031247757 . 1 . . . . . 119 GLN H . 52144 1 379 . 1 . 1 119 119 GLN CA C 13 58.53501671 0.0078515493 . 1 . . . . . 119 GLN CA . 52144 1 380 . 1 . 1 119 119 GLN CB C 13 31.61226409 . . 1 . . . . . 119 GLN CB . 52144 1 381 . 1 . 1 119 119 GLN N N 15 120.8445111 0.0169812786 . 1 . . . . . 119 GLN N . 52144 1 382 . 1 . 1 120 120 PHE H H 1 10.14251509 0.0047883261 . 1 . . . . . 120 PHE H . 52144 1 383 . 1 . 1 120 120 PHE CA C 13 56.16471829 0.0353389877 . 1 . . . . . 120 PHE CA . 52144 1 384 . 1 . 1 120 120 PHE CB C 13 45.89649683 . . 1 . . . . . 120 PHE CB . 52144 1 385 . 1 . 1 120 120 PHE N N 15 120.1333807 0.0199894759 . 1 . . . . . 120 PHE N . 52144 1 386 . 1 . 1 121 121 ALA H H 1 8.884133368 0.0036577938 . 1 . . . . . 121 ALA H . 52144 1 387 . 1 . 1 121 121 ALA CA C 13 51.11965046 0.0289563584 . 1 . . . . . 121 ALA CA . 52144 1 388 . 1 . 1 121 121 ALA CB C 13 23.06493936 . . 1 . . . . . 121 ALA CB . 52144 1 389 . 1 . 1 121 121 ALA N N 15 121.4870452 0.0248964803 . 1 . . . . . 121 ALA N . 52144 1 390 . 1 . 1 122 122 MET H H 1 8.987784222 0.002667375 . 1 . . . . . 122 MET H . 52144 1 391 . 1 . 1 122 122 MET CA C 13 55.27604114 0.0488859541 . 1 . . . . . 122 MET CA . 52144 1 392 . 1 . 1 122 122 MET CB C 13 34.5492259 . . 1 . . . . . 122 MET CB . 52144 1 393 . 1 . 1 122 122 MET N N 15 118.1382183 0.0132047515 . 1 . . . . . 122 MET N . 52144 1 394 . 1 . 1 123 123 VAL H H 1 8.265635215 0.0024426434 . 1 . . . . . 123 VAL H . 52144 1 395 . 1 . 1 123 123 VAL CA C 13 61.56420238 0.0232774846 . 1 . . . . . 123 VAL CA . 52144 1 396 . 1 . 1 123 123 VAL CB C 13 33.80170754 . . 1 . . . . . 123 VAL CB . 52144 1 397 . 1 . 1 123 123 VAL N N 15 124.0725896 0.0210525523 . 1 . . . . . 123 VAL N . 52144 1 398 . 1 . 1 124 124 PHE H H 1 9.140459194 0.0029230913 . 1 . . . . . 124 PHE H . 52144 1 399 . 1 . 1 124 124 PHE CA C 13 56.50988776 0.0424434902 . 1 . . . . . 124 PHE CA . 52144 1 400 . 1 . 1 124 124 PHE CB C 13 43.08841225 . . 1 . . . . . 124 PHE CB . 52144 1 401 . 1 . 1 124 124 PHE N N 15 128.1483993 0.0380589861 . 1 . . . . . 124 PHE N . 52144 1 402 . 1 . 1 125 125 PHE H H 1 9.076899598 0.0024732126 . 1 . . . . . 125 PHE H . 52144 1 403 . 1 . 1 125 125 PHE CA C 13 55.72402056 0.0079155843 . 1 . . . . . 125 PHE CA . 52144 1 404 . 1 . 1 125 125 PHE CB C 13 41.90535132 . . 1 . . . . . 125 PHE CB . 52144 1 405 . 1 . 1 125 125 PHE N N 15 125.7794338 0.0140356117 . 1 . . . . . 125 PHE N . 52144 1 406 . 1 . 1 126 126 ARG H H 1 8.988045203 0.0036939745 . 1 . . . . . 126 ARG H . 52144 1 407 . 1 . 1 126 126 ARG CA C 13 60.95515493 . . 1 . . . . . 126 ARG CA . 52144 1 408 . 1 . 1 126 126 ARG N N 15 116.2517507 0.0132470842 . 1 . . . . . 126 ARG N . 52144 1 409 . 1 . 1 127 127 LYS H H 1 8.68485059 0.0019049767 . 1 . . . . . 127 LYS H . 52144 1 410 . 1 . 1 127 127 LYS CA C 13 53.92652193 0.043609355 . 1 . . . . . 127 LYS CA . 52144 1 411 . 1 . 1 127 127 LYS CB C 13 34.37066458 . . 1 . . . . . 127 LYS CB . 52144 1 412 . 1 . 1 127 127 LYS N N 15 126.5337186 0.0330184337 . 1 . . . . . 127 LYS N . 52144 1 413 . 1 . 1 128 128 THR H H 1 8.513045549 0.0025127109 . 1 . . . . . 128 THR H . 52144 1 414 . 1 . 1 128 128 THR CA C 13 61.31873303 0.0388144953 . 1 . . . . . 128 THR CA . 52144 1 415 . 1 . 1 128 128 THR CB C 13 71.40139146 . . 1 . . . . . 128 THR CB . 52144 1 416 . 1 . 1 128 128 THR N N 15 115.8065678 0.0284698298 . 1 . . . . . 128 THR N . 52144 1 417 . 1 . 1 129 129 SER H H 1 8.98973207 0.0018818454 . 1 . . . . . 129 SER H . 52144 1 418 . 1 . 1 129 129 SER CA C 13 57.06953067 0.0093008911 . 1 . . . . . 129 SER CA . 52144 1 419 . 1 . 1 129 129 SER CB C 13 65.05738406 . . 1 . . . . . 129 SER CB . 52144 1 420 . 1 . 1 129 129 SER N N 15 120.7643479 0.0135005612 . 1 . . . . . 129 SER N . 52144 1 421 . 1 . 1 130 130 GLU H H 1 9.283320519 0.0012496288 . 1 . . . . . 130 GLU H . 52144 1 422 . 1 . 1 130 130 GLU CA C 13 57.3868523 0.0167202618 . 1 . . . . . 130 GLU CA . 52144 1 423 . 1 . 1 130 130 GLU CB C 13 27.76614015 . . 1 . . . . . 130 GLU CB . 52144 1 424 . 1 . 1 130 130 GLU N N 15 126.8180132 0.0148003885 . 1 . . . . . 130 GLU N . 52144 1 425 . 1 . 1 131 131 ASN H H 1 9.139115942 0.0039967677 . 1 . . . . . 131 ASN H . 52144 1 426 . 1 . 1 131 131 ASN CA C 13 54.61323773 0.0253941815 . 1 . . . . . 131 ASN CA . 52144 1 427 . 1 . 1 131 131 ASN CB C 13 37.77739381 0.0426592363 . 1 . . . . . 131 ASN CB . 52144 1 428 . 1 . 1 131 131 ASN N N 15 109.5775667 0.0145232494 . 1 . . . . . 131 ASN N . 52144 1 429 . 1 . 1 132 132 LYS H H 1 7.984284059 0.001702928 . 1 . . . . . 132 LYS H . 52144 1 430 . 1 . 1 132 132 LYS CA C 13 54.97614898 0.0435321203 . 1 . . . . . 132 LYS CA . 52144 1 431 . 1 . 1 132 132 LYS CB C 13 34.956532 . . 1 . . . . . 132 LYS CB . 52144 1 432 . 1 . 1 132 132 LYS N N 15 120.7860582 0.006737649 . 1 . . . . . 132 LYS N . 52144 1 433 . 1 . 1 133 133 GLN H H 1 8.01532354 0.0026119059 . 1 . . . . . 133 GLN H . 52144 1 434 . 1 . 1 133 133 GLN CA C 13 54.48309174 0.0118808745 . 1 . . . . . 133 GLN CA . 52144 1 435 . 1 . 1 133 133 GLN N N 15 118.3667726 0.0163409507 . 1 . . . . . 133 GLN N . 52144 1 436 . 1 . 1 134 134 TYR H H 1 9.160973342 0.0029097711 . 1 . . . . . 134 TYR H . 52144 1 437 . 1 . 1 134 134 TYR CA C 13 56.66670913 0.0578125167 . 1 . . . . . 134 TYR CA . 52144 1 438 . 1 . 1 134 134 TYR CB C 13 41.15412263 . . 1 . . . . . 134 TYR CB . 52144 1 439 . 1 . 1 134 134 TYR N N 15 124.0907861 0.0256255837 . 1 . . . . . 134 TYR N . 52144 1 440 . 1 . 1 135 135 PHE H H 1 8.715662355 0.00322221 . 1 . . . . . 135 PHE H . 52144 1 441 . 1 . 1 135 135 PHE CA C 13 55.63353192 0.0228336549 . 1 . . . . . 135 PHE CA . 52144 1 442 . 1 . 1 135 135 PHE CB C 13 42.28308036 . . 1 . . . . . 135 PHE CB . 52144 1 443 . 1 . 1 135 135 PHE N N 15 117.4079192 0.0162556323 . 1 . . . . . 135 PHE N . 52144 1 444 . 1 . 1 136 136 LYS H H 1 7.610528485 0.0040491052 . 1 . . . . . 136 LYS H . 52144 1 445 . 1 . 1 136 136 LYS CA C 13 53.96621998 0.0437763523 . 1 . . . . . 136 LYS CA . 52144 1 446 . 1 . 1 136 136 LYS CB C 13 37.28724014 . . 1 . . . . . 136 LYS CB . 52144 1 447 . 1 . 1 136 136 LYS N N 15 119.3460698 0.0426213383 . 1 . . . . . 136 LYS N . 52144 1 448 . 1 . 1 137 137 ILE H H 1 9.768310092 0.0027910457 . 1 . . . . . 137 ILE H . 52144 1 449 . 1 . 1 137 137 ILE CA C 13 58.72079095 0.012137476 . 1 . . . . . 137 ILE CA . 52144 1 450 . 1 . 1 137 137 ILE CB C 13 42.19511165 . . 1 . . . . . 137 ILE CB . 52144 1 451 . 1 . 1 137 137 ILE N N 15 119.1183675 0.0160267016 . 1 . . . . . 137 ILE N . 52144 1 452 . 1 . 1 138 138 THR H H 1 9.439024048 0.003173249 . 1 . . . . . 138 THR H . 52144 1 453 . 1 . 1 138 138 THR CA C 13 59.60079819 0.0035138489 . 1 . . . . . 138 THR CA . 52144 1 454 . 1 . 1 138 138 THR CB C 13 70.94595013 . . 1 . . . . . 138 THR CB . 52144 1 455 . 1 . 1 138 138 THR N N 15 116.4955791 0.0063733562 . 1 . . . . . 138 THR N . 52144 1 456 . 1 . 1 139 139 LEU H H 1 8.20447099 0.0070641388 . 1 . . . . . 139 LEU H . 52144 1 457 . 1 . 1 139 139 LEU CA C 13 52.79584761 0.0518015782 . 1 . . . . . 139 LEU CA . 52144 1 458 . 1 . 1 139 139 LEU CB C 13 39.66936673 . . 1 . . . . . 139 LEU CB . 52144 1 459 . 1 . 1 139 139 LEU N N 15 125.7934743 0.0495424275 . 1 . . . . . 139 LEU N . 52144 1 460 . 1 . 1 140 140 TYR H H 1 9.356421321 0.0023707685 . 1 . . . . . 140 TYR H . 52144 1 461 . 1 . 1 140 140 TYR CA C 13 52.26232951 0.0563261278 . 1 . . . . . 140 TYR CA . 52144 1 462 . 1 . 1 140 140 TYR CB C 13 41.06958145 . . 1 . . . . . 140 TYR CB . 52144 1 463 . 1 . 1 140 140 TYR N N 15 127.0438273 0.0123800489 . 1 . . . . . 140 TYR N . 52144 1 464 . 1 . 1 141 141 GLY H H 1 9.944013369 0.0032994776 . 1 . . . . . 141 GLY H . 52144 1 465 . 1 . 1 141 141 GLY CA C 13 43.90624275 0.0238484981 . 1 . . . . . 141 GLY CA . 52144 1 466 . 1 . 1 141 141 GLY N N 15 105.6639932 0.018589695 . 1 . . . . . 141 GLY N . 52144 1 467 . 1 . 1 143 143 THR H H 1 7.807333329 0.0044975139 . 1 . . . . . 143 THR H . 52144 1 468 . 1 . 1 143 143 THR CA C 13 58.74740385 0.0122799577 . 1 . . . . . 143 THR CA . 52144 1 469 . 1 . 1 143 143 THR CB C 13 70.63340348 . . 1 . . . . . 143 THR CB . 52144 1 470 . 1 . 1 143 143 THR N N 15 109.0538006 0.0186944595 . 1 . . . . . 143 THR N . 52144 1 471 . 1 . 1 144 144 LYS H H 1 7.741263386 0.0017261544 . 1 . . . . . 144 LYS H . 52144 1 472 . 1 . 1 144 144 LYS CA C 13 57.62112172 0.0665417605 . 1 . . . . . 144 LYS CA . 52144 1 473 . 1 . 1 144 144 LYS CB C 13 32.84225814 . . 1 . . . . . 144 LYS CB . 52144 1 474 . 1 . 1 144 144 LYS N N 15 113.923202 0.0145691179 . 1 . . . . . 144 LYS N . 52144 1 475 . 1 . 1 145 145 GLU H H 1 7.255698861 0.0003756497 . 1 . . . . . 145 GLU H . 52144 1 476 . 1 . 1 145 145 GLU CA C 13 54.11063665 0.0190299913 . 1 . . . . . 145 GLU CA . 52144 1 477 . 1 . 1 145 145 GLU N N 15 113.5673559 0.0061545228 . 1 . . . . . 145 GLU N . 52144 1 478 . 1 . 1 146 146 LEU H H 1 8.400996545 0.0014768003 . 1 . . . . . 146 LEU H . 52144 1 479 . 1 . 1 146 146 LEU CA C 13 52.31911924 0.04985588 . 1 . . . . . 146 LEU CA . 52144 1 480 . 1 . 1 146 146 LEU CB C 13 47.7430182 . . 1 . . . . . 146 LEU CB . 52144 1 481 . 1 . 1 146 146 LEU N N 15 121.7608798 0.0086366953 . 1 . . . . . 146 LEU N . 52144 1 482 . 1 . 1 147 147 SER H H 1 8.107014645 0.001522073 . 1 . . . . . 147 SER H . 52144 1 483 . 1 . 1 147 147 SER CA C 13 55.8917977 . . 1 . . . . . 147 SER CA . 52144 1 484 . 1 . 1 147 147 SER CB C 13 62.82380433 0 . 1 . . . . . 147 SER CB . 52144 1 485 . 1 . 1 147 147 SER N N 15 116.5406052 0.0069952295 . 1 . . . . . 147 SER N . 52144 1 486 . 1 . 1 149 149 GLU H H 1 8.485044595 0.0014210053 . 1 . . . . . 149 GLU H . 52144 1 487 . 1 . 1 149 149 GLU CA C 13 59.73846489 0.0029117108 . 1 . . . . . 149 GLU CA . 52144 1 488 . 1 . 1 149 149 GLU CB C 13 28.71197605 . . 1 . . . . . 149 GLU CB . 52144 1 489 . 1 . 1 149 149 GLU N N 15 117.2740044 0.0107770006 . 1 . . . . . 149 GLU N . 52144 1 490 . 1 . 1 150 150 LEU H H 1 7.628988515 0.0016415463 . 1 . . . . . 150 LEU H . 52144 1 491 . 1 . 1 150 150 LEU CA C 13 57.14896354 0.0049758514 . 1 . . . . . 150 LEU CA . 52144 1 492 . 1 . 1 150 150 LEU CB C 13 42.03565684 . . 1 . . . . . 150 LEU CB . 52144 1 493 . 1 . 1 150 150 LEU N N 15 121.7104871 0.0081552723 . 1 . . . . . 150 LEU N . 52144 1 494 . 1 . 1 151 151 LYS H H 1 7.630766026 0.0022427507 . 1 . . . . . 151 LYS H . 52144 1 495 . 1 . 1 151 151 LYS CA C 13 61.04135126 0.0345671716 . 1 . . . . . 151 LYS CA . 52144 1 496 . 1 . 1 151 151 LYS CB C 13 31.32251808 . . 1 . . . . . 151 LYS CB . 52144 1 497 . 1 . 1 151 151 LYS N N 15 119.1673973 0.0278815189 . 1 . . . . . 151 LYS N . 52144 1 498 . 1 . 1 152 152 GLU H H 1 8.323520589 0.0020090099 . 1 . . . . . 152 GLU H . 52144 1 499 . 1 . 1 152 152 GLU CA C 13 58.99772042 . . 1 . . . . . 152 GLU CA . 52144 1 500 . 1 . 1 152 152 GLU CB C 13 28.94803908 0 . 1 . . . . . 152 GLU CB . 52144 1 501 . 1 . 1 152 152 GLU N N 15 121.278775 0.0070810379 . 1 . . . . . 152 GLU N . 52144 1 502 . 1 . 1 153 153 ARG H H 1 8.207838312 0.0018550263 . 1 . . . . . 153 ARG H . 52144 1 503 . 1 . 1 153 153 ARG CA C 13 59.66789722 . . 1 . . . . . 153 ARG CA . 52144 1 504 . 1 . 1 153 153 ARG CB C 13 30.3374317 0 . 1 . . . . . 153 ARG CB . 52144 1 505 . 1 . 1 153 153 ARG N N 15 121.3517084 0.0122547329 . 1 . . . . . 153 ARG N . 52144 1 506 . 1 . 1 154 154 PHE H H 1 8.316570349 0.0017147782 . 1 . . . . . 154 PHE H . 52144 1 507 . 1 . 1 154 154 PHE CA C 13 60.37449233 . . 1 . . . . . 154 PHE CA . 52144 1 508 . 1 . 1 154 154 PHE CB C 13 40.14590614 0 . 1 . . . . . 154 PHE CB . 52144 1 509 . 1 . 1 154 154 PHE N N 15 121.2726711 0.0106606215 . 1 . . . . . 154 PHE N . 52144 1 510 . 1 . 1 155 155 THR H H 1 8.38520699 0.0039622851 . 1 . . . . . 155 THR H . 52144 1 511 . 1 . 1 155 155 THR CA C 13 67.17458759 0.0044680355 . 1 . . . . . 155 THR CA . 52144 1 512 . 1 . 1 155 155 THR CB C 13 68.3603922 . . 1 . . . . . 155 THR CB . 52144 1 513 . 1 . 1 155 155 THR N N 15 117.795853 0.0157263687 . 1 . . . . . 155 THR N . 52144 1 514 . 1 . 1 156 156 ARG H H 1 8.374597022 0.0013559024 . 1 . . . . . 156 ARG H . 52144 1 515 . 1 . 1 156 156 ARG CA C 13 59.59969628 0.0064722532 . 1 . . . . . 156 ARG CA . 52144 1 516 . 1 . 1 156 156 ARG CB C 13 30.10103651 . . 1 . . . . . 156 ARG CB . 52144 1 517 . 1 . 1 156 156 ARG N N 15 120.0483896 0.0075938052 . 1 . . . . . 156 ARG N . 52144 1 518 . 1 . 1 158 158 ALA H H 1 8.551479813 0.0011380981 . 1 . . . . . 158 ALA H . 52144 1 519 . 1 . 1 158 158 ALA CA C 13 55.29561143 0.035952384 . 1 . . . . . 158 ALA CA . 52144 1 520 . 1 . 1 158 158 ALA CB C 13 17.16701044 . . 1 . . . . . 158 ALA CB . 52144 1 521 . 1 . 1 158 158 ALA N N 15 122.5180559 0.0096540163 . 1 . . . . . 158 ALA N . 52144 1 522 . 1 . 1 159 159 LYS H H 1 8.109460188 0.0010637914 . 1 . . . . . 159 LYS H . 52144 1 523 . 1 . 1 159 159 LYS CA C 13 58.77372087 . . 1 . . . . . 159 LYS CA . 52144 1 524 . 1 . 1 159 159 LYS CB C 13 31.71827341 0 . 1 . . . . . 159 LYS CB . 52144 1 525 . 1 . 1 159 159 LYS N N 15 116.5383931 0.0204334821 . 1 . . . . . 159 LYS N . 52144 1 526 . 1 . 1 160 160 SER H H 1 8.174283237 0.0014612799 . 1 . . . . . 160 SER H . 52144 1 527 . 1 . 1 160 160 SER CA C 13 61.10919134 0.0300989622 . 1 . . . . . 160 SER CA . 52144 1 528 . 1 . 1 160 160 SER CB C 13 62.37385292 . . 1 . . . . . 160 SER CB . 52144 1 529 . 1 . 1 160 160 SER N N 15 119.5360472 0.02208086 . 1 . . . . . 160 SER N . 52144 1 530 . 1 . 1 161 161 LEU H H 1 6.96640623 0.0046674795 . 1 . . . . . 161 LEU H . 52144 1 531 . 1 . 1 161 161 LEU CA C 13 53.87781403 0.0404996786 . 1 . . . . . 161 LEU CA . 52144 1 532 . 1 . 1 161 161 LEU CB C 13 41.14897147 . . 1 . . . . . 161 LEU CB . 52144 1 533 . 1 . 1 161 161 LEU N N 15 120.707693 0.0722077985 . 1 . . . . . 161 LEU N . 52144 1 534 . 1 . 1 162 162 GLY H H 1 7.595377573 0.0012137423 . 1 . . . . . 162 GLY H . 52144 1 535 . 1 . 1 162 162 GLY CA C 13 44.54566374 0.0164315681 . 1 . . . . . 162 GLY CA . 52144 1 536 . 1 . 1 162 162 GLY N N 15 104.7278446 0.014769083 . 1 . . . . . 162 GLY N . 52144 1 537 . 1 . 1 163 163 LEU H H 1 6.951779545 0.0015253237 . 1 . . . . . 163 LEU H . 52144 1 538 . 1 . 1 163 163 LEU CA C 13 53.81849006 0.0419564182 . 1 . . . . . 163 LEU CA . 52144 1 539 . 1 . 1 163 163 LEU CB C 13 41.22621011 . . 1 . . . . . 163 LEU CB . 52144 1 540 . 1 . 1 163 163 LEU N N 15 116.3199504 0.0197933076 . 1 . . . . . 163 LEU N . 52144 1 541 . 1 . 1 164 164 LYS H H 1 8.340742553 0.0019315926 . 1 . . . . . 164 LYS H . 52144 1 542 . 1 . 1 164 164 LYS CA C 13 53.3284897 0 . 1 . . . . . 164 LYS CA . 52144 1 543 . 1 . 1 164 164 LYS CB C 13 34.6063954 0 . 1 . . . . . 164 LYS CB . 52144 1 544 . 1 . 1 164 164 LYS N N 15 117.8353952 0.00000234 . 1 . . . . . 164 LYS N . 52144 1 545 . 1 . 1 165 165 ASP H H 1 8.480441054 0.0011228783 . 1 . . . . . 165 ASP H . 52144 1 546 . 1 . 1 165 165 ASP CA C 13 58.45985899 0.0066092109 . 1 . . . . . 165 ASP CA . 52144 1 547 . 1 . 1 165 165 ASP CB C 13 41.02357959 0.0016811013 . 1 . . . . . 165 ASP CB . 52144 1 548 . 1 . 1 165 165 ASP N N 15 119.1231639 0.0165095864 . 1 . . . . . 165 ASP N . 52144 1 549 . 1 . 1 166 166 ASP H H 1 8.019278338 0.0042940105 . 1 . . . . . 166 ASP H . 52144 1 550 . 1 . 1 166 166 ASP CA C 13 55.19640838 0.0217656641 . 1 . . . . . 166 ASP CA . 52144 1 551 . 1 . 1 166 166 ASP CB C 13 40.66036872 0 . 1 . . . . . 166 ASP CB . 52144 1 552 . 1 . 1 166 166 ASP N N 15 112.4466189 0.0094340078 . 1 . . . . . 166 ASP N . 52144 1 553 . 1 . 1 167 167 ASN H H 1 7.963769367 0.0015557003 . 1 . . . . . 167 ASN H . 52144 1 554 . 1 . 1 167 167 ASN CA C 13 52.98815927 0.0028161187 . 1 . . . . . 167 ASN CA . 52144 1 555 . 1 . 1 167 167 ASN CB C 13 42.56988924 . . 1 . . . . . 167 ASN CB . 52144 1 556 . 1 . 1 167 167 ASN N N 15 113.6749277 0.0180093847 . 1 . . . . . 167 ASN N . 52144 1 557 . 1 . 1 168 168 ILE H H 1 7.023563043 0.0017446356 . 1 . . . . . 168 ILE H . 52144 1 558 . 1 . 1 168 168 ILE CA C 13 61.01592422 0.0087386421 . 1 . . . . . 168 ILE CA . 52144 1 559 . 1 . 1 168 168 ILE CB C 13 40.52321574 . . 1 . . . . . 168 ILE CB . 52144 1 560 . 1 . 1 168 168 ILE N N 15 118.3524424 0.0146934061 . 1 . . . . . 168 ILE N . 52144 1 561 . 1 . 1 169 169 ILE H H 1 9.029188244 0.0016189137 . 1 . . . . . 169 ILE H . 52144 1 562 . 1 . 1 169 169 ILE CA C 13 59.37610634 . . 1 . . . . . 169 ILE CA . 52144 1 563 . 1 . 1 169 169 ILE CB C 13 43.62957669 . . 1 . . . . . 169 ILE CB . 52144 1 564 . 1 . 1 169 169 ILE N N 15 121.37174 0.0282649856 . 1 . . . . . 169 ILE N . 52144 1 565 . 1 . 1 170 170 PHE H H 1 8.898394498 0.0024453303 . 1 . . . . . 170 PHE H . 52144 1 566 . 1 . 1 170 170 PHE CA C 13 57.42405957 0.037060636 . 1 . . . . . 170 PHE CA . 52144 1 567 . 1 . 1 170 170 PHE CB C 13 41.40490388 . . 1 . . . . . 170 PHE CB . 52144 1 568 . 1 . 1 170 170 PHE N N 15 120.3997802 0.0178004917 . 1 . . . . . 170 PHE N . 52144 1 569 . 1 . 1 171 171 SER H H 1 7.789803734 0.0022624543 . 1 . . . . . 171 SER H . 52144 1 570 . 1 . 1 171 171 SER CA C 13 56.18925793 0.0312464473 . 1 . . . . . 171 SER CA . 52144 1 571 . 1 . 1 171 171 SER CB C 13 64.82023376 . . 1 . . . . . 171 SER CB . 52144 1 572 . 1 . 1 171 171 SER N N 15 116.5810554 0.0233200132 . 1 . . . . . 171 SER N . 52144 1 573 . 1 . 1 175 175 ASP H H 1 8.252491486 0.0018274982 . 1 . . . . . 175 ASP H . 52144 1 574 . 1 . 1 175 175 ASP CA C 13 53.1960803 0.0430975649 . 1 . . . . . 175 ASP CA . 52144 1 575 . 1 . 1 175 175 ASP CB C 13 41.00170009 . . 1 . . . . . 175 ASP CB . 52144 1 576 . 1 . 1 175 175 ASP N N 15 123.3429293 0.0244762871 . 1 . . . . . 175 ASP N . 52144 1 577 . 1 . 1 176 176 GLN H H 1 8.495382676 0.0023001633 . 1 . . . . . 176 GLN H . 52144 1 578 . 1 . 1 176 176 GLN CA C 13 55.70220094 0.0079152358 . 1 . . . . . 176 GLN CA . 52144 1 579 . 1 . 1 176 176 GLN CB C 13 29.4919549 . . 1 . . . . . 176 GLN CB . 52144 1 580 . 1 . 1 176 176 GLN N N 15 124.9271026 0.0126192486 . 1 . . . . . 176 GLN N . 52144 1 stop_ save_ ######################### # Spectral peak lists # ######################### save_spectral_peak_list_1 _Spectral_peak_list.Sf_category spectral_peak_list _Spectral_peak_list.Sf_framecode spectral_peak_list_1 _Spectral_peak_list.Entry_ID 52144 _Spectral_peak_list.ID 1 _Spectral_peak_list.Name HSQC _Spectral_peak_list.Sample_ID 1 _Spectral_peak_list.Sample_label $sample_1 _Spectral_peak_list.Sample_condition_list_ID 1 _Spectral_peak_list.Sample_condition_list_label $sample_conditions_1 _Spectral_peak_list.Chem_shift_reference_ID 1 _Spectral_peak_list.Chem_shift_reference_label $chem_shift_reference_1 _Spectral_peak_list.Experiment_ID 2 _Spectral_peak_list.Experiment_name '2D 1H-15N HSQC' _Spectral_peak_list.Experiment_class . _Spectral_peak_list.Experiment_type . _Spectral_peak_list.Number_of_spectral_dimensions 2 _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 _Spectral_peak_list.Details . _Spectral_peak_list.Text_data_format text _Spectral_peak_list.Text_data ; data_mLcn2_12_22_linux_final_cleaned save_nef_nmr_meta_data _nef_nmr_meta_data.sf_category nef_nmr_meta_data _nef_nmr_meta_data.sf_framecode nef_nmr_meta_data _nef_nmr_meta_data.format_name nmr_exchange_format _nef_nmr_meta_data.format_version 1.1 _nef_nmr_meta_data.program_name AnalysisAssign _nef_nmr_meta_data.program_version 3.1.1 _nef_nmr_meta_data.creation_date 2023-08-11T09:33:11.782490 _nef_nmr_meta_data.uuid AnalysisAssign-2023-08-11T09:33:11.782490-277193238 _nef_nmr_meta_data.coordinate_file_name . loop_ _nef_program_script.program_name _nef_program_script.script_name _nef_program_script.script CcpNmr exportProject . stop_ save_ save_nef_molecular_system _nef_molecular_system.sf_category nef_molecular_system _nef_molecular_system.sf_framecode nef_molecular_system save_ save_nef_nmr_spectrum_3-1-2D-HSQC`1` _nef_nmr_spectrum.sf_category nef_nmr_spectrum _nef_nmr_spectrum.sf_framecode nef_nmr_spectrum_3-1-2D-HSQC`1` _nef_nmr_spectrum.num_dimensions 2 _nef_nmr_spectrum.chemical_shift_list . _nef_nmr_spectrum.experiment_classification H[N] _nef_nmr_spectrum.experiment_type '15N HSQC/HMQC' loop_ _nef_spectrum_dimension.dimension_id _nef_spectrum_dimension.axis_unit _nef_spectrum_dimension.axis_code _nef_spectrum_dimension.spectrometer_frequency _nef_spectrum_dimension.spectral_width _nef_spectrum_dimension.value_first_point _nef_spectrum_dimension.folding _nef_spectrum_dimension.absolute_peak_positions _nef_spectrum_dimension.is_acquisition 1 ppm 1H 799.75 5.635775603 10.71149 circular true true 2 ppm 15N 81.037964 35.99736117 137.9987 circular true false stop_ loop_ _nef_spectrum_dimension_transfer.dimension_1 _nef_spectrum_dimension_transfer.dimension_2 _nef_spectrum_dimension_transfer.transfer_type _nef_spectrum_dimension_transfer.is_indirect stop_ loop_ _nef_peak.index _nef_peak.peak_id _nef_peak.volume _nef_peak.volume_uncertainty _nef_peak.height _nef_peak.height_uncertainty _nef_peak.position_1 _nef_peak.position_uncertainty_1 _nef_peak.position_2 _nef_peak.position_uncertainty_2 _nef_peak.chain_code_1 _nef_peak.sequence_code_1 _nef_peak.residue_name_1 _nef_peak.atom_name_1 _nef_peak.chain_code_2 _nef_peak.sequence_code_2 _nef_peak.residue_name_2 _nef_peak.atom_name_2 1 1 . . 42370.88281 . 9.136922471 . 109.6638275 . A 131 ASN H A 131 ASN N 2 3 . . 29119.90625 . 9.945164465 . 105.7257175 . A 141 GLY H A 141 GLY N 3 4 . . 73004.47656 . 9.274527974 . 118.6738247 . A 118 ASN H A 118 ASN N 4 5 . . 44803.23828 . 8.985083233 . 118.2050637 . A 122 MET H A 122 MET N 5 7 . . 46295.08203 . 8.939998773 . 116.8171077 . A 78 CYS H A 78 CYS N 6 8 . . 30767.30664 . 9.439533848 . 116.5633761 . A 138 THR H A 138 THR N 7 9 . . 13703.86914 . 8.983248805 . 116.3105249 . A 126 ARG H A 126 ARG N 8 11 . . 23353.23633 . 8.916537604 . 115.599241 . A 117 TYR H A 117 TYR N 9 12 . . 40801.80469 . 9.144068844 . 115.1603591 . A 54 THR H A 54 THR N 10 13 . . 53559.4375 . 8.884920964 . 114.2685718 . A 64 TYR H A 64 TYR N 11 14 . . 46784.42969 . 9.415390082 . 114.1660819 . A 95 THR H A 95 THR N 12 15 . . 34208.5625 . 9.196984928 . 113.7907294 . A 97 GLY H A 97 GLY N 13 16 . . 45094.50391 . 8.71717815 . 117.4810227 . A 135 PHE H A 135 PHE N 14 17 . . 122622.8672 . 8.484270279 . 117.3385675 . A 149 GLU H A 149 GLU N 15 20 . . 109005.8828 . 8.629295178 . 116.1101142 . A 74 GLN H A 74 GLN N 16 21 . . 37710.40625 . 8.513215248 . 115.8615691 . A 128 THR H A 128 THR N 17 22 . . 38880.56641 . 8.76213369 . 115.2681717 . @- @108 . H @- @108 . N 18 23 . . 34224.63672 . 8.594412594 . 114.469282 . A 53 SER H A 53 SER N 19 24 . . 35607.35156 . 9.0698771 . 121.6134515 . A 65 ASN H A 65 ASN N 20 25 . . 42481.05078 . 8.885595533 . 121.5711992 . A 121 ALA H A 121 ALA N 21 26 . . 48680.92969 . 9.028538735 . 121.4173488 . A 169 ILE H A 169 ILE N 22 27 . . 54505.14062 . 8.988321262 . 120.8241317 . A 129 SER H A 129 SER N 23 28 . . 56023.73828 . 8.899436984 . 120.453851 . A 170 PHE H A 170 PHE N 24 29 . . 56274.375 . 9.00633146 . 120.4048632 . @- @194 . H @- @194 . N 25 30 . . 41288.08594 . 9.263103367 . 120.1951759 . A 94 PHE H A 94 PHE N 26 31 . . 115574.4375 . 9.031859422 . 119.9065945 . A 25 ASP H A 25 ASP N 27 33 . . 10455.84668 . 9.442264976 . 124.1475924 . A 68 SER H A 68 SER N 28 34 . . 37141.77344 . 9.158548249 . 124.1488504 . A 134 TYR H A 134 TYR N 29 36 . . 50980.88281 . 9.183981303 . 123.6167962 . A 40 ALA H A 40 ALA N 30 37 . . 31279.98047 . 9.359588403 . 123.5592044 . '#171' 604 . H '#171' 604 . N 31 38 . . 45172.68359 . 9.288219135 . 123.121645 . A 36 LEU H A 36 LEU N 32 39 . . 62550.95703 . 8.998775905 . 127.0978529 . A 43 LYS H A 43 LYS N 33 40 . . 10080.75391 . 9.034086841 . 126.4392937 . @- @49 . H @- @49 . N 34 41 . . 35120.39453 . 9.077396829 . 125.8548331 . A 125 PHE H A 125 PHE N 35 42 . . 81997.86719 . 8.831629839 . 125.6935867 . A 108 TYR H A 108 TYR N 36 43 . . 60289.875 . 8.888912257 . 125.2682859 . A 57 GLU H A 57 GLU N 37 44 . . 44210.97266 . 9.051357498 . 125.1476608 . A 109 ASN H A 109 ASN N 38 45 . . 35531.19922 . 8.93430135 . 124.7196073 . A 37 ALA H A 37 ALA N 39 46 . . 30886.95312 . 9.141590864 . 128.2009427 . A 124 PHE H A 124 PHE N 40 47 . . 36004.07422 . 9.357705726 . 127.1112483 . A 140 TYR H A 140 TYR N 41 48 . . 25895.46484 . 9.435149245 . 126.9912309 . A 55 ILE H A 55 ILE N 42 49 . . 46508.91406 . 9.282951576 . 126.8796915 . A 130 GLU H A 130 GLU N 43 50 . . 36709.11328 . 9.282931801 . 126.4904975 . '#171' @718 . H '#171' @718 . N 44 51 . . 52160.04297 . 9.579521096 . 127.2539254 . A 111 GLN H A 111 GLN N 45 52 . . 41651.91016 . 10.1441113 . 120.1951876 . A 120 PHE H A 120 PHE N 46 53 . . 31089.38672 . 9.780814001 . 119.9246183 . A 32 TYR H A 32 TYR N 47 54 . . 41242.24609 . 9.770871085 . 119.1791549 . A 137 ILE H A 137 ILE N 48 55 . . 34147.23828 . 8.94545355 . 132.6776417 . A 58 LEU H A 58 LEU N 49 56 . . 19750.21875 . 8.880077111 . 131.5437847 . A 34 VAL H A 34 VAL N 50 58 . . 35252.47266 . 9.178937197 . 130.6317639 . A 66 VAL H A 66 VAL N 51 59 . . 30914.04688 . 8.88997685 . 130.1835245 . A 31 TRP H A 31 TRP N 52 60 . . 96215.5625 . 8.496289484 . 129.3994625 . . . . . . . . . 53 61 . . 8869.516602 . 8.676609251 . 128.3698883 . @- @33 . H @- @33 . N 54 62 . . 28380.42383 . 8.855245129 . 128.1908677 . A 56 TYR H A 56 TYR N 55 63 . . 49410.40625 . 8.478900422 . 127.9653856 . A 112 VAL H A 112 VAL N 56 64 . . 51622.57422 . 8.256737729 . 130.186694 . A 19 GLN H A 19 GLN N 57 65 . . 35600.71094 . 8.456518627 . 127.1440261 . A 72 ARG H A 72 ARG N 58 66 . . 26428.95117 . 8.434672957 . 126.8976679 . A 51 MET H A 51 MET N 59 67 . . 32630.04688 . 8.202941976 . 125.8571818 . A 139 LEU H A 139 LEU N 60 68 . . 124693.4141 . 8.430158337 . 125.6470857 . A 91 ALA H A 91 ALA N 61 69 . . 58144.26562 . 8.298982727 . 125.5921973 . A 42 GLN H A 42 GLN N 62 70 . . 23610.29297 . 8.567495256 . 125.030672 . A 67 THR H A 67 THR N 63 71 . . 61840.23438 . 8.495805527 . 124.9920317 . A 176 GLN H A 176 GLN N 64 73 . . 22483.76172 . 8.685867498 . 126.6410352 . A 127 LYS H A 127 LYS N 65 74 . . 58011.30859 . 8.726032131 . 126.3619645 . A 8 ILE H A 8 ILE N 66 75 . . 50198.54297 . 8.693692326 . 125.8354546 . A 13 LEU H A 13 LEU N 67 76 . . 33490.01172 . 8.750932256 . 124.8616339 . A 106 GLN H A 106 GLN N 68 77 . . 39084.37109 . 8.804161573 . 123.8158197 . A 50 THR H A 50 THR N 69 78 . . 33137.73047 . 8.747200779 . 122.2563518 . A 33 VAL H A 33 VAL N 70 79 . . 81577.46875 . 8.823323677 . 122.1736055 . A 24 SER H A 24 SER N 71 80 . . 82677.55469 . 8.742678478 . 121.5985997 . A 100 HIS H A 100 HIS N 72 83 . . 51637.79297 . 8.723395787 . 120.890451 . A 119 GLN H A 119 GLN N 73 84 . . 85720.78125 . 8.669963128 . 120.6464297 . A 21 ASP H A 21 ASP N 74 85 . . 59825.09766 . 8.808383149 . 119.9925024 . A 44 LYS H A 44 LYS N 75 86 . . 24711.58203 . 8.534902958 . 123.4052127 . A 70 LEU H A 70 LEU N 76 87 . . 95178.95312 . 8.551348907 . 122.5902226 . A 158 ALA H A 158 ALA N 77 88 . . 48527.12109 . 8.548585995 . 122.132493 . '#172' @203 . H '#172' @203 . N 78 90 . . 52333.125 . 8.441382099 . 122.1341236 . A 2 ASP H A 2 ASP N 79 91 . . 83654.78906 . 8.401364901 . 121.8310244 . A 146 LEU H A 146 LEU N 80 94 . . 650704.8125 . 8.613460393 . 119.2286741 . '#170' @189 . H '#170' @189 . N 81 97 . . 90350.92188 . 8.480046217 . 119.203696 . A 165 ASP H A 165 ASP N 82 98 . . 112619.0703 . 8.389848966 . 117.8739435 . A 155 THR H A 155 THR N 83 101 . . 43129.96875 . 8.394458253 . 117.0478751 . A 3 SER H A 3 SER N 84 102 . . 80379.88281 . 8.331851786 . 116.2969579 . A 79 ARG H A 79 ARG N 85 103 . . 27417.0957 . 8.317879629 . 115.5088928 . '#173' @183 . H '#173' @183 . N 86 104 . . 103401.1406 . 8.251365907 . 115.7743969 . A 89 SER H A 89 SER N 87 105 . . 708848.125 . 8.284698206 . 116.4716368 . @- @178 . H @- @178 . N 88 106 . . 677966 . 8.184532052 . 115.4260376 . A 4 THR H A 4 THR N 89 107 . . 84890.625 . 8.108322736 . 116.5410538 . A 159 LYS H A 159 LYS N 90 108 . . 37863.89062 . 8.011660119 . 115.9884058 . A 75 ASP H A 75 ASP N 91 109 . . 50440.92969 . 7.790251102 . 116.6574499 . A 171 SER H A 171 SER N 92 110 . . 92894.91406 . 7.83860276 . 116.0786899 . A 22 PHE H A 22 PHE N 93 111 . . 35969.41406 . 7.754673693 . 115.3486277 . A 76 GLN H A 76 GLN N 94 112 . . 36074.44141 . 7.948518467 . 114.8565715 . A 61 ASN H A 61 ASN N 95 113 . . 74896.01562 . 7.961659054 . 113.7438641 . A 167 ASN H A 167 ASN N 96 115 . . 126168.1562 . 8.016562742 . 112.5247384 . A 166 ASP H A 166 ASP N 97 116 . . 47203.47266 . 7.741943242 . 113.9866032 . A 144 LYS H A 144 LYS N 98 117 . . 117023.5391 . 8.182160247 . 114.323452 . A 12 SER H A 12 SER N 99 118 . . 224001.2656 . 8.124334206 . 113.9248356 . A 48 SER H A 48 SER N 100 119 . . 82016.5625 . 8.218409977 . 111.9529857 . A 62 ASN H A 62 ASN N 101 120 . . 48056.88672 . 8.277940849 . 111.4131354 . A 92 GLY H A 92 GLY N 102 121 . . 54846.86328 . 8.210900443 . 111.2657218 . . . . . . . . . 103 122 . . 8378.165039 . 8.213058254 . 110.7829526 . . . . . . . . . 104 123 . . 157292.0625 . 8.270091597 . 108.5777848 . A 47 GLY H A 47 GLY N 105 124 . . 113545.7734 . 8.16679109 . 107.4756568 . A 77 GLY H A 77 GLY N 106 125 . . 8176.027344 . 8.178269228 . 109.1310676 . . . . . . . . . 107 126 . . 70947.67969 . 7.80500456 . 109.1294306 . A 143 THR H A 143 THR N 108 127 . . 44944.21484 . 7.931701034 . 106.6417878 . A 38 GLY H A 38 GLY N 109 128 . . 43268.23438 . 8.018373871 . 106.4964934 . A 35 GLY H A 35 GLY N 110 129 . . 11263.92285 . 7.743843118 . 106.3303806 . . . . . . . . . 111 130 . . 72627.90625 . 7.596015876 . 104.8023867 . A 162 GLY H A 162 GLY N 112 131 . . 42314.05469 . 6.683797221 . 107.3006529 . . . . . . . . . 113 132 . . 92044.48438 . 7.012952081 . 106.6685539 . A 114 THR H A 114 THR N 114 133 . . 17063.11328 . 6.553159092 . 106.3162732 . . . . . . . . . 115 136 . . 8946.390625 . 6.889138528 . 110.8592672 . . . . . . . . . 116 138 . . 94508.16406 . 6.872303124 . 110.4457017 . . . . . . . . . 117 140 . . 19811.5625 . 6.959432447 . 110.165641 . . . . . . . . . 118 141 . . 308457.625 . 6.954693517 . 110.6461197 . . . . . . . . . 119 142 . . 80533.1875 . 7.082824479 . 111.2676818 . . . . . . . . . 120 143 . . 11274.11035 . 7.08693328 . 110.7407468 . . . . . . . . . 121 144 . . 43393.53125 . 6.884198392 . 111.3356409 . . . . . . . . . 122 145 . . 15550.82422 . 6.800889542 . 110.9453005 . . . . . . . . . 123 146 . . 277611.8125 . 6.798039815 . 111.4751065 . . . . . . . . . 124 147 . . 12191.70508 . 6.71724356 . 111.4238846 . . . . . . . . . 125 149 . . 174633.2656 . 6.714727267 . 111.9859363 . . . . . . . . . 126 150 . . 87938.21875 . 6.864338163 . 111.9901942 . . . . . . . . . 127 151 . . 72468.5 . 6.82451097 . 112.1454105 . . . . . . . . . 128 153 . . 708632.75 . 6.774852908 . 112.3692584 . . . . . . . . . 129 154 . . 223435.4844 . 6.753221903 . 112.7618953 . . . . . . . . . 130 155 . . 456333.9688 . 6.82405661 . 112.9915967 . . . . . . . . . 131 156 . . 239176.8906 . 6.860013835 . 112.4910262 . . . . . . . . . 132 157 . . 135724.7969 . 6.901758521 . 112.8935075 . . . . . . . . . 133 158 . . 58966.39453 . 6.733362911 . 113.5355979 . . . . . . . . . 134 159 . . 110528.125 . 6.862333796 . 113.8650256 . . . . . . . . . 135 160 . . 10092.7373 . 6.866662161 . 113.3549605 . . . . . . . . . 136 161 . . 7346.308105 . 6.974257977 . 113.2839809 . . . . . . . . . 137 162 . . 23505.10547 . 6.969977855 . 113.7775313 . . . . . . . . . 138 163 . . 37916.10156 . 7.000220152 . 114.3244141 . . . . . . . . . 139 164 . . 44043.29297 . 7.077264963 . 113.5291614 . . . . . . . . . 140 165 . . 61375 . 7.127088834 . 112.8606196 . . . . . . . . . 141 167 . . 136342.8906 . 7.255817147 . 113.6317034 . A 145 GLU H A 145 GLU N 142 168 . . 12721.97461 . 6.540940626 . 113.7431841 . . . . . . . . . 143 169 . . 16623.27539 . 6.305541611 . 113.7452714 . . . . . . . . . 144 171 . . 60180.75391 . 6.315464607 . 111.0231558 . . . . . . . . . 145 172 . . 87046.375 . 6.525807042 . 111.4947465 . . . . . . . . . 146 173 . . 11237.03906 . 6.524910668 . 110.9732517 . . . . . . . . . 147 174 . . 15053.99316 . 6.559406046 . 110.112145 . . . . . . . . . 148 175 . . 8274.375 . 6.595984506 . 110.3483842 . . . . . . . . . 149 176 . . 93470.72656 . 6.580196859 . 110.8257591 . A 28 ARG H A 28 ARG N 150 177 . . 289341.4375 . 6.556970049 . 110.6489537 . . . . . . . . . 151 178 . . 20509.75586 . 7.135822338 . 118.8828709 . . . . . . . . . 152 179 . . 88473.69531 . 7.024007542 . 118.410249 . A 168 ILE H A 168 ILE N 153 180 . . 77235.53906 . 6.886596088 . 117.8995602 . A 26 GLN H A 26 GLN N 154 181 . . 21913.44727 . 7.105611158 . 116.9125468 . . . . . . . . . 155 182 . . 66518.67969 . 6.951168406 . 116.3867117 . A 163 LEU H A 163 LEU N 156 183 . . 29625.37305 . 6.50521062 . 117.8600077 . A 52 TYR H A 52 TYR N 157 184 . . 134854.0938 . 6.960992575 . 120.6803499 . A 161 LEU H A 161 LEU N 158 185 . . 40531.62891 . 6.935212052 . 123.0386665 . A 116 ASP H A 116 ASP N 159 186 . . 66717.14062 . 6.805047932 . 122.2616564 . A 41 VAL H A 41 VAL N 160 187 . . 120861.8906 . 6.901306184 . 125.0295016 . A 16 VAL H A 16 VAL N 161 188 . . 42325.76953 . 7.427077119 . 128.3275668 . A 23 ARG H A 23 ARG N 162 189 . . 40580.02734 . 7.984928749 . 134.3277068 . A 113 ALA H A 113 ALA N 163 190 . . 89380.52344 . 7.482409229 . 124.5305965 . '#172' @64 . H '#172' @64 . N 164 191 . . 188329.1875 . 7.313007605 . 120.3853957 . . . . . . . . . 165 192 . . 118632.7188 . 7.329361387 . 120.9655241 . . . . . . . . . 166 193 . . 16034.51367 . 7.427734688 . 119.9847527 . . . . . . . . . 167 195 . . 184558.625 . 7.420248747 . 118.6725385 . A 90 ARG H A 90 ARG N 168 196 . . 67647.0625 . 7.541533192 . 118.4513215 . '#173' @727 . H '#173' @727 . N 169 197 . . 91367.0625 . 7.556451717 . 118.3003191 . A 93 GLN H A 93 GLN N 170 198 . . 52953.48047 . 7.610431775 . 119.4221049 . A 136 LYS H A 136 LYS N 171 199 . . 60929.40234 . 7.633067838 . 119.2096944 . A 151 LYS H A 151 LYS N 172 200 . . 84602.08594 . 7.555089397 . 120.6100357 . . . . . . . . . 173 202 . . 42340.16016 . 7.750472801 . 122.5581663 . A 96 LEU H A 96 LEU N 174 203 . . 83993.00781 . 7.743819228 . 121.8436425 . A 18 LEU H A 18 LEU N 175 204 . . 67327.51562 . 7.630187618 . 121.7751976 . A 150 LEU H A 150 LEU N 176 205 . . 49849.14062 . 7.518665697 . 115.8599411 . A 39 ASN H A 39 ASN N 177 206 . . 125674.6328 . 7.596055906 . 115.1599701 . A 14 LEU H A 14 LEU N 178 207 . . 54993.80078 . 7.676519466 . 112.8608035 . . . . . . . . . 179 208 . . 26018.08594 . 7.572797756 . 114.3308349 . . . . . . . . . 180 209 . . 112936.2422 . 7.489370293 . 113.864713 . . . . . . . . . 181 210 . . 8542.875 . 7.682798374 . 112.3720595 . . . . . . . . . 182 211 . . 68529.53125 . 7.747316721 . 112.1562361 . A 45 THR H A 45 THR N 183 212 . . 67333.71875 . 7.79620605 . 111.9519845 . A 107 SER H A 107 SER N 184 213 . . 13060.8291 . 7.612563278 . 111.5095689 . . . . . . . . . 185 214 . . 41352.49219 . 7.653492617 . 111.3363859 . . . . . . . . . 186 216 . . 54765.29688 . 7.563969014 . 112.1518266 . . . . . . . . . 187 217 . . 75227.9375 . 7.608350847 . 111.9931744 . . . . . . . . . 188 218 . . 87119.73438 . 7.247910871 . 110.4486226 . . . . . . . . . 189 220 . . 94901.40625 . 7.339294508 . 111.0209327 . . . . . . . . . 190 221 . . 132954.2188 . 7.37167197 . 110.8976995 . A 15 THR H A 15 THR N 191 222 . . 90529.57812 . 7.432695344 . 110.7463739 . A 63 SER H A 63 SER N 192 223 . . 10759.8291 . 7.341118702 . 110.5329413 . . . . . . . . . 193 225 . . 104662.5781 . 7.364559309 . 111.4948626 . . . . . . . . . 194 226 . . 321572.25 . 7.430519961 . 111.4744537 . . . . . . . . . 195 228 . . 193078.1719 . 7.370426647 . 111.9864015 . . . . . . . . . 196 229 . . 262047.7812 . 7.334902806 . 112.4895849 . . . . . . . . . 197 230 . . 240259.4219 . 7.372925763 . 112.7615171 . . . . . . . . . 198 231 . . 128596.4688 . 7.464961249 . 112.8867171 . . . . . . . . . 199 232 . . 530959.4375 . 7.504862992 . 112.9910335 . . . . . . . . . 200 233 . . 354996.875 . 7.49442304 . 112.3513052 . . . . . . . . . 201 236 . . 1055845 . 7.441991241 . 112.3725884 . . . . . . . . . 202 237 . . 84056.33594 . 8.173315529 . 119.5890587 . A 160 SER H A 160 SER N 203 238 . . 78246.50781 . 8.016707313 . 118.435374 . A 133 GLN H A 133 GLN N 204 239 . . 64215.16797 . 7.75205971 . 118.2422854 . A 88 SER H A 88 SER N 205 240 . . 142123 . 7.985555682 . 120.8450965 . A 132 LYS H A 132 LYS N 206 241 . . 100388.7031 . 7.945576188 . 120.8552806 . A 115 THR H A 115 THR N 207 242 . . 924313.5 . 8.056661539 . 121.0123584 . '#170' @218 . H '#170' @218 . N 208 243 . . 157366.7031 . 8.081598723 . 121.6508084 . A 46 GLU H A 46 GLU N 209 244 . . 690646.875 . 8.158648976 . 121.9625224 . A 5 GLN H A 5 GLN N 210 245 . . 107113.125 . 8.21042411 . 121.4286604 . . . . . . . . . 211 246 . . 136010.4062 . 8.322498104 . 121.3545018 . A 152 GLU H A 152 GLU N 212 247 . . 104448.75 . 8.223862246 . 121.3374792 . . . . . . . . . 213 248 . . 65254.16406 . 8.374306615 . 120.0947049 . A 156 ARG H A 156 ARG N 214 249 . . 405741.0938 . 8.325237062 . 120.2959171 . A 6 ASN H A 6 ASN N 215 250 . . 53180.46094 . 8.459158677 . 120.8276415 . A 110 VAL H A 110 VAL N 216 251 . . 36489.98047 . 8.415605512 . 120.8164973 . A 102 TYR H A 102 TYR N 217 252 . . 24928.7832 . 8.388902037 . 120.5532808 . . . . . . . . . 218 253 . . 67539.03906 . 8.516815918 . 121.083074 . A 30 ARG H A 30 ARG N 219 254 . . 300321.3438 . 8.052277746 . 123.0372245 . A 7 LEU H A 7 LEU N 220 255 . . 108384.125 . 8.153355946 . 123.0804235 . A 10 ALA H A 10 ALA N 221 256 . . 41542.29688 . 8.267370291 . 124.1558488 . A 123 VAL H A 123 VAL N 222 257 . . 73977.41406 . 8.253389636 . 123.4030109 . A 175 ASP H A 175 ASP N 223 258 . . 9052.65332 . 5.419498269 . 121.4982524 . . . . . . . . . 224 259 . . 39632.29688 . 9.478196173 . 109.5650916 . . . . . . . . . 225 260 . . 18947.82812 . 9.29103457 . 124.2646194 . . . . . . . . . 226 261 . . 31824.13867 . 8.630302786 . 120.991718 . . . . . . . . . 227 262 . . 58571.86719 . 8.343194122 . 117.9053952 . . . . . . . . . 228 263 . . 8346.689453 . 7.654027031 . 110.825762 . . . . . . . . . 229 264 . . 4223.399414 . 7.564618058 . 111.5850466 . . . . . . . . . 230 265 . . 15764.6377 . 7.4955318 . 111.8305444 . . . . . . . . . 231 266 . . 41340.39453 . 7.444729418 . 111.8789472 . . . . . . . . . 232 267 . . 8684.941406 . 6.874809158 . 109.9477348 . . . . . . . . . 233 268 . . 8359.990234 . 7.131287324 . 109.1379128 . . . . . . . . . 234 269 . . 23627.41992 . 6.77621611 . 111.8548197 . . . . . . . . . 235 270 . . 13204.28613 . 6.905866111 . 112.3675276 . . . . . . . . . 236 271 . . 4380.849609 . 6.866510131 . 113.1840282 . . . . . . . . . 237 272 . . 4336.105957 . 6.970691864 . 113.1422262 . . . . . . . . . 238 273 . . 7733.976562 . 7.130429208 . 112.2842845 . . . . . . . . . 239 274 . . 29743.59766 . 7.383375992 . 118.7832796 . . . . . . . . . 240 275 . . 51210.83984 . 7.421841935 . 119.0396351 . . . . . . . . . 241 276 . . 594.4139404 . 8.804632065 . 127.0128407 . . . . . . . . . 242 277 . . -13508.9082 . 8.175048504 . 115.7986496 . . . . . . . . . stop_ save_ # End of data_mLcn2_12_22_linux_final_cleaned ; 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 . 'not observed' 5.636 ppm . . . . . . 52144 1 2 . . N 15 N . 'not observed' 35.997 ppm . . . . . . 52144 1 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 1 $software_1 . . 52144 1 stop_ save_ save_spectral_peak_list_2 _Spectral_peak_list.Sf_category spectral_peak_list _Spectral_peak_list.Sf_framecode spectral_peak_list_2 _Spectral_peak_list.Entry_ID 52144 _Spectral_peak_list.ID 2 _Spectral_peak_list.Name HNCO _Spectral_peak_list.Sample_ID 1 _Spectral_peak_list.Sample_label $sample_1 _Spectral_peak_list.Sample_condition_list_ID 1 _Spectral_peak_list.Sample_condition_list_label $sample_conditions_1 _Spectral_peak_list.Chem_shift_reference_ID 1 _Spectral_peak_list.Chem_shift_reference_label $chem_shift_reference_1 _Spectral_peak_list.Experiment_ID 3 _Spectral_peak_list.Experiment_name '3D HNCO' _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 _Spectral_peak_list.Details . _Spectral_peak_list.Text_data_format text _Spectral_peak_list.Text_data ; data_mLcn2_12_22_linux_final_cleaned save_nef_nmr_meta_data _nef_nmr_meta_data.sf_category nef_nmr_meta_data _nef_nmr_meta_data.sf_framecode nef_nmr_meta_data _nef_nmr_meta_data.format_name nmr_exchange_format _nef_nmr_meta_data.format_version 1.1 _nef_nmr_meta_data.program_name AnalysisAssign _nef_nmr_meta_data.program_version 3.1.1 _nef_nmr_meta_data.creation_date 2023-08-11T09:30:54.334115 _nef_nmr_meta_data.uuid AnalysisAssign-2023-08-11T09:30:54.334115-1950262741 _nef_nmr_meta_data.coordinate_file_name . loop_ _nef_program_script.program_name _nef_program_script.script_name _nef_program_script.script CcpNmr exportProject . stop_ save_ save_nef_molecular_system _nef_molecular_system.sf_category nef_molecular_system _nef_molecular_system.sf_framecode nef_molecular_system save_ save_nef_nmr_spectrum_40-1-3D-HNCO`1` _nef_nmr_spectrum.sf_category nef_nmr_spectrum _nef_nmr_spectrum.sf_framecode nef_nmr_spectrum_40-1-3D-HNCO`1` _nef_nmr_spectrum.num_dimensions 3 _nef_nmr_spectrum.chemical_shift_list . _nef_nmr_spectrum.experiment_classification H[N[CO]] _nef_nmr_spectrum.experiment_type HNCO loop_ _nef_spectrum_dimension.dimension_id _nef_spectrum_dimension.axis_unit _nef_spectrum_dimension.axis_code _nef_spectrum_dimension.spectrometer_frequency _nef_spectrum_dimension.spectral_width _nef_spectrum_dimension.value_first_point _nef_spectrum_dimension.folding _nef_spectrum_dimension.absolute_peak_positions _nef_spectrum_dimension.is_acquisition 1 ppm 1H 799.75 5.614182593 10.68814 circular true true 2 ppm 15N 81.03796372 32.30339124 135.6517 circular true false 3 ppm 13C 201.0972975 12.70494954 178.8525 circular true false stop_ loop_ _nef_spectrum_dimension_transfer.dimension_1 _nef_spectrum_dimension_transfer.dimension_2 _nef_spectrum_dimension_transfer.transfer_type _nef_spectrum_dimension_transfer.is_indirect stop_ loop_ _nef_peak.index _nef_peak.peak_id _nef_peak.volume _nef_peak.volume_uncertainty _nef_peak.height _nef_peak.height_uncertainty _nef_peak.position_1 _nef_peak.position_uncertainty_1 _nef_peak.position_2 _nef_peak.position_uncertainty_2 _nef_peak.position_3 _nef_peak.position_uncertainty_3 _nef_peak.chain_code_1 _nef_peak.sequence_code_1 _nef_peak.residue_name_1 _nef_peak.atom_name_1 _nef_peak.chain_code_2 _nef_peak.sequence_code_2 _nef_peak.residue_name_2 _nef_peak.atom_name_2 _nef_peak.chain_code_3 _nef_peak.sequence_code_3 _nef_peak.residue_name_3 _nef_peak.atom_name_3 1 16 . . 611977.6875 . 9.136448048 . 109.6483768 . 173.0113276 . A 131 ASN H A 131 ASN N A 131-1 . C 2 17 . . 494820.0938 . 9.48066799 . 109.5638368 . 172.2743592 . . . . . . . . . . . . . 3 18 . . 437121.4688 . 9.944211398 . 105.725454 . 174.0533825 . A 141 GLY H A 141 GLY N A 141-1 . C stop_ save_ # End of data_mLcn2_12_22_linux_final_cleaned ; 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 . 'not observed' 5.614 ppm . . . . . . 52144 2 2 . . N 15 N . 'not observed' 32.303 ppm . . . . . . 52144 2 3 . . C 13 CO . 'not observed' 12.705 ppm . . . . . . 52144 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 1 $software_1 . . 52144 2 stop_ save_ save_spectral_peak_list_3 _Spectral_peak_list.Sf_category spectral_peak_list _Spectral_peak_list.Sf_framecode spectral_peak_list_3 _Spectral_peak_list.Entry_ID 52144 _Spectral_peak_list.ID 3 _Spectral_peak_list.Name HNCA _Spectral_peak_list.Sample_ID 1 _Spectral_peak_list.Sample_label $sample_1 _Spectral_peak_list.Sample_condition_list_ID 1 _Spectral_peak_list.Sample_condition_list_label $sample_conditions_1 _Spectral_peak_list.Chem_shift_reference_ID 1 _Spectral_peak_list.Chem_shift_reference_label $chem_shift_reference_1 _Spectral_peak_list.Experiment_ID 4 _Spectral_peak_list.Experiment_name '3D HNCA' _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 _Spectral_peak_list.Details . _Spectral_peak_list.Text_data_format text _Spectral_peak_list.Text_data ; data_mLcn2_12_22_linux_final_cleaned save_nef_nmr_meta_data _nef_nmr_meta_data.sf_category nef_nmr_meta_data _nef_nmr_meta_data.sf_framecode nef_nmr_meta_data _nef_nmr_meta_data.format_name nmr_exchange_format _nef_nmr_meta_data.format_version 1.1 _nef_nmr_meta_data.program_name AnalysisAssign _nef_nmr_meta_data.program_version 3.1.1 _nef_nmr_meta_data.creation_date 2023-08-11T09:33:48.905540 _nef_nmr_meta_data.uuid AnalysisAssign-2023-08-11T09:33:48.905540-899526095 _nef_nmr_meta_data.coordinate_file_name . loop_ _nef_program_script.program_name _nef_program_script.script_name _nef_program_script.script CcpNmr exportProject . stop_ save_ save_nef_molecular_system _nef_molecular_system.sf_category nef_molecular_system _nef_molecular_system.sf_framecode nef_molecular_system save_ save_nef_nmr_spectrum_50-1-3D-HNCA`1` _nef_nmr_spectrum.sf_category nef_nmr_spectrum _nef_nmr_spectrum.sf_framecode nef_nmr_spectrum_50-1-3D-HNCA`1` _nef_nmr_spectrum.num_dimensions 3 _nef_nmr_spectrum.chemical_shift_list . _nef_nmr_spectrum.experiment_classification H[N[CA]] _nef_nmr_spectrum.experiment_type HNCA loop_ _nef_spectrum_dimension.dimension_id _nef_spectrum_dimension.axis_unit _nef_spectrum_dimension.axis_code _nef_spectrum_dimension.spectrometer_frequency _nef_spectrum_dimension.spectral_width _nef_spectrum_dimension.value_first_point _nef_spectrum_dimension.folding _nef_spectrum_dimension.absolute_peak_positions _nef_spectrum_dimension.is_acquisition 1 ppm 1H 799.75 5.614182593 10.68814 circular true true 2 ppm 15N 81.03796372 32.30339124 135.6517 circular true false 3 ppm 13C 201.0972975 31.9994675 68.99973 circular true false stop_ loop_ _nef_spectrum_dimension_transfer.dimension_1 _nef_spectrum_dimension_transfer.dimension_2 _nef_spectrum_dimension_transfer.transfer_type _nef_spectrum_dimension_transfer.is_indirect stop_ loop_ _nef_peak.index _nef_peak.peak_id _nef_peak.volume _nef_peak.volume_uncertainty _nef_peak.height _nef_peak.height_uncertainty _nef_peak.position_1 _nef_peak.position_uncertainty_1 _nef_peak.position_2 _nef_peak.position_uncertainty_2 _nef_peak.position_3 _nef_peak.position_uncertainty_3 _nef_peak.chain_code_1 _nef_peak.sequence_code_1 _nef_peak.residue_name_1 _nef_peak.atom_name_1 _nef_peak.chain_code_2 _nef_peak.sequence_code_2 _nef_peak.residue_name_2 _nef_peak.atom_name_2 _nef_peak.chain_code_3 _nef_peak.sequence_code_3 _nef_peak.residue_name_3 _nef_peak.atom_name_3 1 661 . . 10.91194057 . 8.217410687 . 135.6795844 . 67.93840316 . . . . . . . . . . . . . 2 2512 . . 9.028223991 . 8.179630717 . 135.6540459 . 64.12682048 . . . . . . . . . . . . . 3 2986 . . 8.860626221 . 5.699753743 . 135.6553019 . 63.1962997 . . . . . . . . . . . . . 4 8137 . . 8.778464317 . 8.613086302 . 135.7041829 . 52.8179047 . . . . . . . . . . . . . 5 8639 . . 12.34832096 . 8.021299577 . 135.6799945 . 51.89510092 . . . . . . . . . . . . . 6 9836 . . 7.857823372 . 5.520080439 . 135.6763938 . 49.60691955 . . . . . . . . . . . . . 7 10445 . . 9.710363388 . 8.161795133 . 135.6753162 . 48.35746105 . . . . . . . . . . . . . 8 10691 . . 8.055232048 . 5.203744403 . 135.665564 . 47.88460095 . . . . . . . . . . . . . 9 10941 . . 11.38474941 . 8.16160417 . 135.6777735 . 47.25490028 . . . . . . . . . . . . . 10 11658 . . 9.829760551 . 8.251038015 . 135.7145017 . 45.65782755 . . . . . . . . . . . . . 11 12391 . . 8.290420532 . 9.659412885 . 135.6577142 . 44.19956744 . . . . . . . . . . . . . 12 12415 . . 8.031270027 . 6.85304582 . 135.652579 . 44.10362749 . . . . . . . . . . . . . 13 12629 . . 9.321604729 . 8.628398854 . 135.6673127 . 43.64858555 . . . . . . . . . . . . . 14 14155 . . 8.8664217 . 6.98179412 . 135.6643295 . 40.44252508 . . . . . . . . . . . . . 15 14156 . . 44.65203857 . 9.13939731 . 109.6341751 . 55.05966008 . A 131 ASN H A 131 ASN N A 131-1 . CA 16 14157 . . 115.5656662 . 9.139216831 . 109.6365847 . 52.18784355 . A 131 ASN H A 131 ASN N A 131 ASN CA 17 14163 . . 35.20434189 . 9.945217997 . 105.7176241 . 49.7728256 . A 141 GLY H A 141 GLY N A 141-1 . CA 18 14164 . . 94.90776062 . 9.944363953 . 105.7249101 . 41.48239425 . A 141 GLY H A 141 GLY N A 141 GLY CA 19 14165 . . 75.87213898 . 9.438452082 . 116.5711625 . 57.20431204 . A 138 THR H A 138 THR N A 138 THR CA 20 14166 . . 28.88863754 . 9.439845465 . 116.560474 . 56.30658757 . A 138 THR H A 138 THR N A 138-1 . CA 21 14167 . . 101.8467407 . 9.14309832 . 115.2002603 . 59.04041354 . A 54 THR H A 54 THR N A 54 THR CA 22 14168 . . 55.37744904 . 9.14235192 . 115.1931364 . 52.62871413 . A 54 THR H A 54 THR N A 54-1 . CA 23 14170 . . 146.6165924 . 9.416530798 . 114.1959162 . 57.39314786 . . . . . . . . . A 95 THR CA 24 14171 . . 54.22813034 . 9.416360738 . 114.1683361 . 53.68340601 . . . . . . . . . A 95-1 . CA 25 14172 . . 36.43631744 . 9.197642887 . 113.7883712 . 52.20767583 . . . . . . . . . A 97-1 . CA 26 14173 . . 109.1006775 . 9.195036721 . 113.8097777 . 42.27445909 . . . . . . . . . A 97 GLY CA 27 14174 . . 101.8876495 . 8.989089359 . 118.2181929 . 52.82715519 . A 122 MET H A 122 MET N A 122 MET CA 28 14175 . . 74.31749725 . 8.98862473 . 118.2111098 . 48.68543181 . A 122 MET H A 122 MET N A 122-1 . CA 29 14177 . . 104.5958328 . 8.941900198 . 116.8451932 . 51.32057702 . . . . . . . . . A 78 CYS CA 30 14178 . . 103.6630325 . 8.942690603 . 116.8408812 . 42.25212441 . . . . . . . . . A 78-1 . CA 31 14180 . . 13.01718044 . 8.99001032 . 116.3293735 . 58.55515493 . A 126 ARG H A 126 ARG N A 126 ARG CA 32 14181 . . 14.42819023 . 8.992084867 . 116.3392023 . 53.26583712 . A 126 ARG H A 126 ARG N A 126-1 . CA 33 14182 . . 37.36389542 . 8.918349529 . 115.6041676 . 63.31244719 . A 117 TYR H A 117 TYR N A 117 TYR CA 34 14183 . . 14.5603075 . 8.912529378 . 115.6066861 . 50.01034568 . A 117 TYR H A 117 TYR N A 117-1 . CA 35 14186 . . 57.69281769 . 8.881650353 . 114.2886894 . 55.58322047 . . . . . . . . . A 64-1 . CA 36 14188 . . 150.0899811 . 8.88543418 . 114.3020334 . 53.81276787 . . . . . . . . . A 64 TYR CA 37 14193 . . 43.37712097 . 9.260304657 . 120.1826819 . 51.06411107 . A 94 PHE H A 94 PHE N A 94-1 . CA 38 14194 . . 132.3501129 . 9.258773755 . 120.1826819 . 53.6861292 . A 94 PHE H A 94 PHE N A 94 PHE CA 39 14198 . . 147.1051331 . 9.272722318 . 118.6627288 . 50.25369368 . A 118 ASN H A 118 ASN N A 118 ASN CA 40 14199 . . 50.91503525 . 9.273720261 . 118.6627288 . 63.32808461 . A 118 ASN H A 118 ASN N A 118-1 . CA 41 14203 . . 131.026413 . 10.1411841 . 120.1896711 . 53.7293793 . A 120 PHE H A 120 PHE N A 120 PHE CA 42 14204 . . 22.09663391 . 10.14712516 . 120.1896711 . 56.14398829 . A 120 PHE H A 120 PHE N A 120-1 . CA 43 14206 . . 99.31572723 . 9.780670456 . 119.911411 . 55.75530719 . A 32 TYR H A 32 TYR N A 32 TYR CA 44 14207 . . 45.67373657 . 9.779943934 . 119.899345 . 52.43036461 . A 32 TYR H A 32 TYR N A 32-1 . CA 45 14212 . . 61.4522171 . 9.766537801 . 119.1811106 . 51.61579256 . A 137 ILE H A 137 ILE N A 137-1 . CA 46 14213 . . 117.8281021 . 9.766537801 . 119.1811106 . 56.30865347 . A 137 ILE H A 137 ILE N A 137 ILE CA 47 14216 . . 125.7821579 . 9.157931902 . 124.1758328 . 54.20889661 . . . . . . . . . A 134 TYR CA 48 14217 . . 57.41333389 . 9.157230687 . 124.1549661 . 52.11025771 . . . . . . . . . A 134-1 . CA 49 14218 . . -12.56217575 . 9.16507539 . 124.1677106 . 48.27148111 . . . . . . . . . . . . . 50 14219 . . 16.44986725 . 9.431315667 . 124.1018902 . 58.96741575 . A 68 SER H A 68 SER N A 68-1 . CA 51 14220 . . 42.86432266 . 9.433804622 . 124.1256736 . 54.79977575 . A 68 SER H A 68 SER N A 68 SER CA 52 14221 . . 44.38233948 . 9.182898691 . 123.6069151 . 51.69618684 . . . . . . . . . A 40-1 . CA 53 14222 . . 136.3888702 . 9.180749027 . 123.6154718 . 48.30563925 . . . . . . . . . A 40 ALA CA 54 14223 . . 72.75874329 . 9.358111407 . 123.5836826 . 56.15139206 . '#171' 604 . H '#171' 604 . N '#171' 604 . CA 55 14224 . . 50.3314743 . 9.356404281 . 123.581776 . 49.80840088 . '#171' 604 . H '#171' 604 . N '#171' 604-1 . CA 56 14225 . . 125.8847046 . 9.28786358 . 123.1568604 . 52.07181574 . . . . . . . . . A 36 LEU CA 57 14226 . . 80.49628448 . 9.286795781 . 123.1518358 . 42.75183381 . . . . . . . . . A 36-1 . CA 58 14228 . . 65.67069244 . 9.580199228 . 127.2570217 . 57.52170674 . . . . . . . . . A 111-1 . CA 59 14230 . . 148.4182739 . 9.581987021 . 127.2668078 . 52.71946045 . . . . . . . . . A 111 GLN CA 60 14233 . . 43.56007385 . 9.352789476 . 127.12418 . 50.36053669 . . . . . . . . . A 140-1 . CA 61 14234 . . 86.72706604 . 9.359410421 . 127.1263134 . 49.80600338 . . . . . . . . . A 140 TYR CA 62 14235 . . 35.19023895 . 9.431369481 . 126.9698311 . 59.03696034 . A 55 ILE H A 55 ILE N A 55-1 . CA 63 14236 . . 62.7083931 . 9.434717976 . 126.9958273 . 57.48509198 . A 55 ILE H A 55 ILE N A 55 ILE CA 64 14241 . . 109.9376984 . 9.282360252 . 126.8582439 . 55.00357256 . . . . . . . . . A 130 GLU CA 65 14243 . . 75.24440765 . 9.175920987 . 130.6346554 . 58.59601538 . A 66 VAL H A 66 VAL N A 66 VAL CA 66 14244 . . 57.50808716 . 9.179981132 . 130.6388433 . 50.53202546 . A 66 VAL H A 66 VAL N A 66-1 . CA 67 14245 . . 46.90804672 . 9.139200184 . 128.2097451 . 59.15196297 . A 124 PHE H A 124 PHE N A 124-1 . CA 68 14246 . . 78.16482544 . 9.141399051 . 128.231513 . 54.06744427 . A 124 PHE H A 124 PHE N A 124 PHE CA 69 14248 . . 58.83481979 . 8.944648211 . 132.6926292 . 53.32593096 . A 58 LEU H A 58 LEU N A 58 LEU CA 70 14249 . . 25.59913254 . 8.945528014 . 132.6926029 . 52.43434328 . A 58 LEU H A 58 LEU N A 58-1 . CA 71 14250 . . 29.6180439 . 8.885507835 . 131.5661324 . 61.90434713 . . . . . . . . . A 34-1 . CA 72 14251 . . 31.6551075 . 8.879686942 . 131.5457822 . 61.40963967 . . . . . . . . . A 34 VAL CA 73 14252 . . 36.98451233 . 8.889632674 . 130.200491 . 54.21890239 . A 31 TRP H A 31 TRP N A 31-1 . CA 74 14253 . . 90.84626007 . 8.891017672 . 130.2023543 . 52.45262872 . A 31 TRP H A 31 TRP N A 31 TRP CA 75 14254 . . 18.9265976 . 8.667248361 . 128.4232365 . 58.21202671 . . . . . . . . . @- @33 . CA 76 14256 . . 36.45117188 . 8.85373915 . 128.1831997 . 57.4607775 . A 56 TYR H A 56 TYR N A 56-1 . CA 77 14257 . . 59.64788055 . 8.861182171 . 128.2016971 . 54.79326131 . A 56 TYR H A 56 TYR N A 56 TYR CA 78 14263 . . 38.45678711 . 8.255800493 . 130.1920407 . 49.69429247 . A 19 GLN H A 19 GLN N A 19-1 . CA 79 14264 . . 90.42790985 . 8.256811498 . 130.1920407 . 50.43005706 . A 19 GLN H A 19 GLN N A 19 GLN CA 80 14265 . . 93.74085236 . 8.479550599 . 127.9453379 . 61.17195461 . A 112 VAL H A 112 VAL N A 112 VAL CA 81 14267 . . 70.2751236 . 8.478899014 . 127.9350822 . 52.71831034 . A 112 VAL H A 112 VAL N A 112-1 . CA 82 14268 . . 32.94016266 . 8.459283416 . 127.1283534 . 59.54430759 . A 72 ARG H A 72 ARG N A 72-1 . CA 83 14269 . . 94.16612244 . 8.460273185 . 127.1534472 . 53.55073209 . A 72 ARG H A 72 ARG N A 72 ARG CA 84 14297 . . 349.3512878 . 7.88611217 . 127.2038774 . 59.31030841 . . . . . . . . . '#170' 703-1 . CA 85 14301 . . 1098.806152 . 7.886055338 . 127.1999468 . 54.73245891 . . . . . . . . . '#170' 703 GLN CA 86 14316 . . 52.02204514 . 8.203575583 . 125.833941 . 57.20252107 . . . . . . . . . A 139-1 . CA 87 14318 . . 58.44340134 . 8.203251959 . 125.8620923 . 50.34404603 . . . . . . . . . A 139 LEU CA 88 14321 . . 82.21498871 . 8.299326611 . 125.6022371 . 59.93198024 . A 42 GLN H A 42 GLN N A 42-1 . CA 89 14325 . . 138.4676056 . 8.30014116 . 125.6054305 . 51.13073033 . A 42 GLN H A 42 GLN N A 42 GLN CA 90 14330 . . 190.6621704 . 8.432138429 . 125.6350736 . 51.30315177 . A 91 ALA H A 91 ALA N A 91-1 . CA 91 14331 . . 328.0405579 . 8.43136709 . 125.648885 . 50.50783496 . A 91 ALA H A 91 ALA N A 91 ALA CA 92 14334 . . 40.61681366 . 8.567033659 . 125.0167195 . 58.80854102 . A 67 THR H A 67 THR N A 67 THR CA 93 14336 . . 189.9987183 . 8.496186902 . 125.004354 . 53.29428571 . A 176 GLN H A 176 GLN N A 176 GLN CA 94 14337 . . 31.33545113 . 8.49596951 . 124.9869616 . 50.80184023 . A 176 GLN H A 176 GLN N A 176-1 . CA 95 14349 . . 51.83436966 . 8.264112026 . 124.1333226 . 52.81435702 . A 123 VAL H A 123 VAL N A 123-1 . CA 96 14350 . . 79.09693146 . 8.266805524 . 124.1333226 . 59.1409249 . A 123 VAL H A 123 VAL N A 123 VAL CA 97 14362 . . 154.0348206 . 8.253703908 . 123.4272597 . 50.75298274 . A 175 ASP H A 175 ASP N A 175 ASP CA 98 14363 . . 72.89222717 . 8.254651458 . 123.4272597 . 56.38155824 . A 175 ASP H A 175 ASP N A 175-1 . CA 99 14364 . . 26.99149895 . 8.540987758 . 123.3959664 . 58.66646499 . A 70 LEU H A 70 LEU N A 70-1 . CA 100 14365 . . 57.34863663 . 8.533283046 . 123.3853421 . 50.63725023 . A 70 LEU H A 70 LEU N A 70 LEU CA 101 14366 . . 19.08244896 . 9.028134367 . 126.4500521 . 52.97792478 . @- @49 . H @- @49 . N @- @49 . CA 102 14367 . . 51.90312576 . 9.079680165 . 125.848668 . 54.00502923 . A 125 PHE H A 125 PHE N A 125-1 . CA 103 14368 . . 97.12095642 . 9.075706106 . 125.8340465 . 53.33193614 . A 125 PHE H A 125 PHE N A 125 PHE CA 104 14369 . . 55.92816162 . 9.054979804 . 125.1765489 . 56.06413231 . A 109 ASN H A 109 ASN N A 109-1 . CA 105 14370 . . 135.2291412 . 9.053493434 . 125.189832 . 50.5003907 . A 109 ASN H A 109 ASN N A 109 ASN CA 106 14371 . . 22.72964287 . 8.6830872 . 126.5490147 . 58.17047581 . A 127 LYS H A 127 LYS N A 127-1 . CA 107 14373 . . 62.6762886 . 8.683893158 . 126.5914225 . 51.48291258 . A 127 LYS H A 127 LYS N A 127 LYS CA 108 14374 . . -11.0656786 . 8.731266822 . 126.1977696 . 60.45368577 . . . . . . . . . . . . . 109 14376 . . 151.4077148 . 8.723636976 . 126.3811384 . 57.54256802 . A 8 ILE H A 8 ILE N A 8 ILE CA 110 14381 . . 77.78297424 . 8.72310385 . 126.3633111 . 51.57317484 . A 8 ILE H A 8 ILE N A 8-1 . CA 111 14384 . . 131.5421906 . 8.694940364 . 125.845299 . 54.96181186 . A 13 LEU H A 13 LEU N A 13 LEU CA 112 14385 . . 83.42756653 . 8.694593071 . 125.8401444 . 54.49756902 . A 13 LEU H A 13 LEU N A 13-1 . CA 113 14389 . . 165.9061279 . 8.829499441 . 125.7255582 . 56.01540846 . A 108 TYR H A 108 TYR N A 108 TYR CA 114 14390 . . 98.75360107 . 8.830787508 . 125.7255582 . 55.59838408 . A 108 TYR H A 108 TYR N A 108-1 . CA 115 14392 . . 90.82936859 . 8.8887616 . 125.30312 . 54.80124725 . A 57 GLU H A 57 GLU N A 57-1 . CA 116 14393 . . 140.2571564 . 8.889309517 . 125.2917308 . 52.41642976 . A 57 GLU H A 57 GLU N A 57 GLU CA 117 14396 . . 56.00727081 . 8.75008817 . 124.8684931 . 60.21019674 . A 106 GLN H A 106 GLN N A 106-1 . CA 118 14397 . . 78.67636108 . 8.749622059 . 124.8710765 . 54.72620577 . A 106 GLN H A 106 GLN N A 106 GLN CA 119 14400 . . 47.89753723 . 8.936774153 . 124.7009474 . 52.07410452 . A 37 ALA H A 37 ALA N A 37-1 . CA 120 14401 . . 116.1852264 . 8.934954296 . 124.7406243 . 46.67203949 . A 37 ALA H A 37 ALA N A 37 ALA CA 121 14402 . . 68.61022186 . 8.802849072 . 123.7994289 . 61.33800323 . . . . . . . . . A 50 THR CA 122 14403 . . 33.64004517 . 8.805707242 . 123.7893168 . 52.31670379 . . . . . . . . . A 50-1 . CA 123 14404 . . 286.2134705 . 8.150603976 . 123.0657496 . 46.56508283 . A 10 ALA H A 10 ALA N A 10 ALA CA 124 14405 . . 150.9456482 . 8.153379278 . 123.0657496 . 59.99532428 . A 10 ALA H A 10 ALA N A 10-1 . CA 125 14406 . . 434.7704773 . 8.052033794 . 123.0266488 . 50.38103807 . A 7 LEU H A 7 LEU N A 7-1 . CA 126 14407 . . 859.807373 . 8.050991146 . 123.0266488 . 51.5918786 . A 7 LEU H A 7 LEU N A 7 LEU CA 127 14409 . . 65.59672546 . 7.428752308 . 128.3404453 . 57.25724104 . A 23 ARG H A 23 ARG N A 23-1 . CA 128 14410 . . 91.34859467 . 7.430567527 . 128.3473615 . 49.37112177 . A 23 ARG H A 23 ARG N A 23 ARG CA 129 14412 . . 76.81291962 . 6.900270125 . 125.02764 . 59.56173702 . A 16 VAL H A 16 VAL N A 16-1 . CA 130 14413 . . 407.8518372 . 6.900270125 . 125.02764 . 57.39836839 . A 16 VAL H A 16 VAL N A 16 VAL CA 131 14414 . . 51.78983307 . 7.482144927 . 124.5306512 . 51.74119671 . '#172' @64 . H '#172' @64 . N '#172' @64-1 . CA 132 14415 . . 243.9399872 . 7.483110023 . 124.5306512 . 52.56989326 . '#172' @64 . H '#172' @64 . N '#172' @64 . CA 133 14416 . . 44.47763443 . 6.938716803 . 123.0851622 . 57.36291498 . A 116 ASP H A 116 ASP N A 116-1 . CA 134 14417 . . 96.20441437 . 6.937950828 . 123.0581198 . 50.05137207 . A 116 ASP H A 116 ASP N A 116 ASP CA 135 14424 . . 48.42913818 . 6.804158328 . 122.2676509 . 48.27908066 . A 41 VAL H A 41 VAL N A 41-1 . CA 136 14426 . . 242.2640381 . 6.806758629 . 122.2830016 . 59.94672952 . A 41 VAL H A 41 VAL N A 41 VAL CA 137 14430 . . 50.9149704 . 6.806750956 . 122.2766265 . 48.26898443 . . . . . . . . . . . . . 138 14431 . . 54.35602188 . 6.972701084 . 120.8617204 . 58.67418008 . A 161 LEU H A 161 LEU N A 161-1 . CA 139 14432 . . 207.2432098 . 6.972421332 . 120.8529601 . 51.43731435 . A 161 LEU H A 161 LEU N A 161 LEU CA 140 14436 . . 54.56385803 . 7.750194482 . 122.5130763 . 57.37198713 . A 96 LEU H A 96 LEU N A 96-1 . CA 141 14439 . . 131.5549927 . 7.750035167 . 122.5209452 . 52.19786459 . A 96 LEU H A 96 LEU N A 96 LEU CA 142 14443 . . 128.3402405 . 7.74423221 . 121.8582522 . 60.7835238 . A 18 LEU H A 18 LEU N A 18-1 . CA 143 14448 . . 176.5093689 . 7.74405265 . 121.8681319 . 49.67605216 . . . . . . . . . A 18 LEU CA 144 14451 . . 65.95792389 . 7.629194125 . 121.7704436 . 57.31738542 . A 150 LEU H A 150 LEU N A 150-1 . CA 145 14452 . . 195.1570282 . 7.629099895 . 121.7743039 . 54.74398769 . A 150 LEU H A 150 LEU N A 150 LEU CA 146 14456 . . 55.02112198 . 7.606067247 . 119.4485384 . 53.82190487 . A 136 LYS H A 136 LYS N A 136-1 . CA 147 14458 . . 140.196106 . 7.608742039 . 119.4610195 . 51.52244363 . A 136 LYS H A 136 LYS N A 136 LYS CA 148 14462 . . 167.9069519 . 7.63228273 . 119.2289873 . 58.60678409 . A 151 LYS H A 151 LYS N A 151 LYS CA 149 14463 . . 60.96854782 . 7.633011931 . 119.1973048 . 54.75265072 . A 151 LYS H A 151 LYS N A 151-1 . CA 150 14464 . . 687.6188354 . 7.420153624 . 118.6851273 . 51.29634261 . A 90 ARG H A 90 ARG N A 90 ARG CA 151 14465 . . 118.937912 . 7.420153624 . 118.6851273 . 58.74868629 . A 90 ARG H A 90 ARG N A 90-1 . CA 152 14471 . . 236.9676056 . 7.556879689 . 118.3048177 . 51.06871773 . A 93 GLN H A 93 GLN N A 93 GLN CA 153 14472 . . 56.01829529 . 7.557178157 . 118.2781041 . 41.52197489 . A 93 GLN H A 93 GLN N A 93-1 . CA 154 14474 . . 90.33538818 . 7.751520114 . 118.2622101 . 61.20922405 . A 88 SER H A 88 SER N A 88-1 . CA 155 14476 . . 177.9216461 . 7.753276196 . 118.2643823 . 52.20868289 . A 88 SER H A 88 SER N A 88 SER CA 156 14480 . . 240.5610657 . 7.025075939 . 118.4236005 . 58.60718558 . A 168 ILE H A 168 ILE N A 168 ILE CA 157 14481 . . 80.64711761 . 7.023702602 . 118.4403587 . 50.58593196 . A 168 ILE H A 168 ILE N A 168-1 . CA 158 14484 . . 218.241684 . 6.888094453 . 117.908603 . 53.80116757 . A 26 GLN H A 26 GLN N A 26 GLN CA 159 14485 . . 78.3134613 . 6.888063261 . 117.8971419 . 53.10135011 . A 26 GLN H A 26 GLN N A 26-1 . CA 160 14495 . . 46.56106567 . 6.950209755 . 116.3789285 . 42.1432675 . A 163 LEU H A 163 LEU N A 163-1 . CA 161 14496 . . 210.8004303 . 6.951119418 . 116.3789285 . 51.37653364 . A 163 LEU H A 163 LEU N A 163 LEU CA 162 14497 . . 29.24196434 . 6.50820738 . 117.8583636 . 56.22429161 . A 52 TYR H A 52 TYR N A 52-1 . CA 163 14498 . . 87.40986633 . 6.506475033 . 117.8524073 . 51.54489465 . A 52 TYR H A 52 TYR N A 52 TYR CA 164 14499 . . 25.86655807 . 6.525174678 . 111.058861 . 64.84941702 . . . . . . . . . . . . . 165 14506 . . 274.0136108 . 7.013686928 . 106.6658995 . 57.06417003 . A 114 THR H A 114 THR N A 114 THR CA 166 14507 . . 73.04605865 . 7.013552904 . 106.6753734 . 50.94881998 . A 114 THR H A 114 THR N A 114-1 . CA 167 14511 . . 255.4739838 . 7.805913583 . 109.15145 . 56.33512389 . A 143 THR H A 143 THR N A 143 THR CA 168 14512 . . 36.05025482 . 7.810487927 . 109.1588323 . 53.1994768 . A 143 THR H A 143 THR N A 143-1 . CA 169 14514 . . 39.48202133 . 7.932488102 . 106.6410613 . 46.67269567 . A 38 GLY H A 38 GLY N A 38-1 . CA 170 14515 . . 160.4875793 . 7.933109339 . 106.6410613 . 44.57231102 . A 38 GLY H A 38 GLY N A 38 GLY CA 171 14517 . . 16.64199638 . 8.014673296 . 106.4789722 . 61.39560515 . A 35 GLY H A 35 GLY N A 35-1 . CA 172 14523 . . 149.4195251 . 8.020184936 . 106.5026197 . 42.74298386 . A 35 GLY H A 35 GLY N A 35 GLY CA 173 14525 . . 58.86416626 . 7.595872135 . 104.7803735 . 51.43961839 . A 162 GLY H A 162 GLY N A 162-1 . CA 174 14526 . . 204.2251129 . 7.596340259 . 104.8136157 . 42.12923217 . A 162 GLY H A 162 GLY N A 162 GLY CA 175 14527 . . 207.9140167 . 8.267570586 . 108.5695163 . 54.44088046 . A 47 GLY H A 47 GLY N A 47-1 . CA 176 14546 . . 722.4140625 . 8.269022638 . 108.5640054 . 43.32544029 . A 47 GLY H A 47 GLY N A 47 GLY CA 177 14554 . . 65.29247284 . 8.164313543 . 107.4657462 . 53.79269841 . A 77 GLY H A 77 GLY N A 77-1 . CA 178 14555 . . 479.1112366 . 8.165402576 . 107.4657462 . 41.85526246 . A 77 GLY H A 77 GLY N A 77 GLY CA 179 14556 . . 63.80028152 . 8.217085488 . 111.9211492 . 49.94691643 . A 62 ASN H A 62 ASN N A 62-1 . CA 180 14557 . . 187.3951263 . 8.217085488 . 111.9211492 . 52.75169087 . A 62 ASN H A 62 ASN N A 62 ASN CA 181 14558 . . 76.62073517 . 8.276809717 . 111.4144214 . 50.51765277 . A 92 GLY H A 92 GLY N A 92-1 . CA 182 14559 . . 73.05628967 . 8.280544722 . 111.4144214 . 41.53205613 . A 92 GLY H A 92 GLY N A 92 GLY CA 183 14560 . . 81.95189667 . 8.018285486 . 112.5172322 . 56.03487081 . A 166 ASP H A 166 ASP N A 166-1 . CA 184 14561 . . 282.1648254 . 8.017768159 . 112.5172322 . 52.77464272 . A 166 ASP H A 166 ASP N A 166 ASP CA 185 14562 . . 136.2158661 . 8.628302493 . 116.110629 . 52.88037985 . A 74 GLN H A 74 GLN N A 74-1 . CA 186 14563 . . 267.8833923 . 8.628819821 . 116.110629 . 54.95106526 . A 74 GLN H A 74 GLN N A 74 GLN CA 187 14564 . . 48.81827545 . 8.514047944 . 115.8702019 . 51.42440081 . A 128 THR H A 128 THR N A 128-1 . CA 188 14565 . . 112.2081375 . 8.516214879 . 115.8702019 . 58.87991854 . A 128 THR H A 128 THR N A 128 THR CA 189 14566 . . 54.51100922 . 8.760576836 . 115.2536268 . 61.99656302 . @- @108 . H @- @108 . N @- @108-1 . CA 190 14567 . . 135.8439026 . 8.759385022 . 115.2536268 . 53.96804158 . @- @108 . H @- @108 . N @- @108 . CA 191 14568 . . 25.36530495 . 8.593213278 . 114.4721907 . 51.61651229 . A 53 SER H A 53 SER N A 53-1 . CA 192 14569 . . 102.189476 . 8.591809726 . 114.4721907 . 52.60463139 . A 53 SER H A 53 SER N A 53 SER CA 193 14570 . . 38.18983078 . 8.714842086 . 117.4735877 . 54.18603567 . A 135 PHE H A 135 PHE N A 135-1 . CA 194 14571 . . 143.965332 . 8.716273661 . 117.4735877 . 53.21069827 . A 135 PHE H A 135 PHE N A 135 PHE CA 195 14572 . . 148.8804626 . 8.18082771 . 114.315592 . 59.07579076 . A 12 SER H A 12 SER N A 12-1 . CA 196 14573 . . 258.562561 . 8.18082771 . 114.315592 . 54.45520377 . A 12 SER H A 12 SER N A 12 SER CA 197 14574 . . 307.4185181 . 8.123163054 . 113.9215627 . 43.32827884 . A 48 SER H A 48 SER N A 48-1 . CA 198 14575 . . 820.6278687 . 8.124086226 . 113.9215627 . 55.12488338 . A 48 SER H A 48 SER N A 48 SER CA 199 14576 . . 32.01838303 . 7.946167256 . 114.8585537 . 56.25118525 . A 61 ASN H A 61 ASN N A 61-1 . CA 200 14577 . . 81.85275269 . 7.948081935 . 114.8585537 . 49.99784932 . A 61 ASN H A 61 ASN N A 61 ASN CA 201 14578 . . 52.14766312 . 7.966487058 . 113.7413851 . 52.74549046 . A 167 ASN H A 167 ASN N A 167-1 . CA 202 14579 . . 156.457016 . 7.965081572 . 113.7413851 . 50.59097539 . A 167 ASN H A 167 ASN N A 167 ASN CA 203 14580 . . 76.38607025 . 7.742427673 . 113.9952442 . 56.32998523 . A 144 LYS H A 144 LYS N A 144-1 . CA 204 14581 . . 111.4586563 . 7.741772004 . 113.9952442 . 55.15457996 . A 144 LYS H A 144 LYS N A 144 LYS CA 205 14582 . . 47.38809586 . 7.789941163 . 116.6472868 . 54.95831269 . A 171 SER H A 171 SER N A 171-1 . CA 206 14583 . . 106.2123718 . 7.790315014 . 116.6472868 . 53.75801148 . A 171 SER H A 171 SER N A 171 SER CA 207 14584 . . 67.80219269 . 7.838085701 . 116.080303 . 51.57785028 . A 22 PHE H A 22 PHE N A 22-1 . CA 208 14585 . . 304.7515259 . 7.838983249 . 116.080303 . 57.24189418 . A 22 PHE H A 22 PHE N A 22 PHE CA 209 14586 . . 100.195282 . 7.756977549 . 115.3739838 . 53.78839904 . A 76 GLN H A 76 GLN N A 76 GLN CA 210 14587 . . 33.22538376 . 7.760610342 . 115.3600951 . 51.44045189 . A 76 GLN H A 76 GLN N A 76-1 . CA 211 14588 . . 37.70038223 . 8.010853971 . 115.9925479 . 54.93303782 . A 75 ASP H A 75 ASP N A 75-1 . CA 212 14589 . . 114.6531677 . 8.011521312 . 115.9925479 . 51.42645977 . A 75 ASP H A 75 ASP N A 75 ASP CA 213 14590 . . 77.31145477 . 7.519831437 . 115.8552903 . 44.58239037 . A 39 ASN H A 39 ASN N A 39-1 . CA 214 14591 . . 106.4142227 . 7.519417039 . 115.8552903 . 51.71775234 . A 39 ASN H A 39 ASN N A 39 ASN CA 215 14592 . . 122.6386414 . 7.597053157 . 115.1599236 . 54.96987527 . A 14 LEU H A 14 LEU N A 14-1 . CA 216 14593 . . 347.2953491 . 7.597824261 . 115.1599236 . 53.72543875 . A 14 LEU H A 14 LEU N A 14 LEU CA 217 14594 . . 90.86565399 . 7.255475668 . 113.6337083 . 55.17558756 . A 145 GLU H A 145 GLU N A 145-1 . CA 218 14595 . . 493.7666931 . 7.254946436 . 113.6337083 . 51.69160665 . A 145 GLU H A 145 GLU N A 145 GLU CA 219 14629 . . 67.83877563 . 7.746667858 . 112.1321148 . 54.95326583 . A 45 THR H A 45 THR N A 45-1 . CA 220 14630 . . 185.9389343 . 7.747600545 . 112.1321148 . 60.4419018 . A 45 THR H A 45 THR N A 45 THR CA 221 14636 . . 52.89709473 . 7.794324788 . 111.9614992 . 54.76887248 . A 107 SER H A 107 SER N A 107-1 . CA 222 14637 . . 296.7483826 . 7.79667928 . 111.9614992 . 55.60435317 . A 107 SER H A 107 SER N A 107 SER CA 223 14638 . . 74.43999481 . 7.369733733 . 110.9065484 . 53.72171147 . A 15 THR H A 15 THR N A 15-1 . CA 224 14639 . . 290.1682739 . 7.371470417 . 110.9065484 . 59.54826876 . A 15 THR H A 15 THR N A 15 THR CA 225 14640 . . 43.36758423 . 7.432964858 . 110.8327051 . 52.70991273 . A 63 SER H A 63 SER N A 63-1 . CA 226 14641 . . 261.9546509 . 7.432965216 . 110.8327051 . 55.56953592 . A 63 SER H A 63 SER N A 63 SER CA 227 14645 . . 166.5856628 . 8.17339419 . 119.6117674 . 58.67909238 . A 160 SER H A 160 SER N A 160 SER CA 228 14647 . . 53.55563354 . 8.175504647 . 119.6148748 . 56.37862312 . A 160 SER H A 160 SER N A 160-1 . CA 229 14660 . . 123.5748444 . 8.015923236 . 118.43034 . 52.09497261 . A 133 GLN H A 133 GLN N A 133 GLN CA 230 14661 . . 100.3621674 . 8.015688783 . 118.43034 . 52.57157761 . A 133 GLN H A 133 GLN N A 133-1 . CA 231 14684 . . 1087.83313 . 8.284061417 . 116.4721257 . 51.8112341 . @- @178 . H @- @178 . N @- @178-1 . CA 232 14685 . . 2667.102539 . 8.285058592 . 116.4721257 . 55.96818077 . @- @178 . H @- @178 . N @- @178 . CA 233 14687 . . 228.3813019 . 8.332956593 . 116.338487 . 56.25236255 . A 79 ARG H A 79 ARG N A 79 ARG CA 234 14688 . . 90.97910309 . 8.333558048 . 116.3035065 . 51.33315768 . A 79 ARG H A 79 ARG N A 79-1 . CA 235 14694 . . 359.7802124 . 8.20844726 . 115.8546283 . 51.82221236 . '#170' 701 SER H '#170' 701 SER N '#170' 701-1 . CA 236 14695 . . 936.4385986 . 8.207935552 . 115.8546283 . 55.72059901 . '#170' 701 SER H '#170' 701 SER N '#170' 701 SER CA 237 14704 . . 324.2824402 . 8.251505905 . 115.7911847 . 58.77507333 . A 89 SER H A 89 SER N A 89 SER CA 238 14711 . . 155.4489288 . 8.250907671 . 115.7768855 . 52.19517909 . A 89 SER H A 89 SER N A 89-1 . CA 239 14728 . . 25.90408516 . 8.31876516 . 115.4680206 . 56.28110772 . '#173' @183 . H '#173' @183 . N '#173' @183-1 . CA 240 14729 . . 74.01698303 . 8.315280744 . 115.5400762 . 55.23038401 . '#173' @183 . H '#173' @183 . N '#173' @183 . CA 241 14730 . . 807.817688 . 8.183555468 . 115.4244234 . 55.9763692 . A 4 THR H A 4 THR N A 4-1 . CA 242 14731 . . 2353.486328 . 8.184163578 . 115.4244234 . 59.71446691 . A 4 THR H A 4 THR N A 4 THR CA 243 14733 . . 140.897171 . 8.382456291 . 117.8663604 . 64.77905563 . A 155 THR H A 155 THR N A 155 THR CA 244 14736 . . 64.26795959 . 8.381695563 . 117.8606293 . 57.92928605 . A 155 THR H A 155 THR N A 155-1 . CA 245 14738 . . -17.27773476 . 8.394364211 . 117.6308396 . 55.9212676 . . . . . . . . . . . . . 246 14743 . . 100.2242813 . 8.485694929 . 117.3494878 . 62.66759479 . A 149 GLU H A 149 GLU N A 149-1 . CA 247 14745 . . 319.6257629 . 8.486088386 . 117.35725 . 57.3413766 . A 149 GLU H A 149 GLU N A 149 GLU CA 248 14750 . . 144.0168915 . 8.395193733 . 117.0586434 . 55.9767667 . A 3 SER H A 3 SER N A 3 SER CA 249 14751 . . 46.87417984 . 8.39600228 . 117.0763464 . 51.58086474 . A 3 SER H A 3 SER N A 3-1 . CA 250 14797 . . 1295.543457 . 8.612935724 . 119.2122557 . 60.99082203 . '#170' @189 . H '#170' @189 . N '#170' @189-1 . CA 251 14798 . . 2739.458984 . 8.611205008 . 119.2122557 . 53.29762792 . '#170' @189 . H '#170' @189 . N '#170' @189 . CA 252 14799 . . 127.8188705 . 8.481445169 . 119.1986084 . 50.87440118 . A 165 ASP H A 165 ASP N A 165-1 . CA 253 14800 . . 192.4501495 . 8.48090785 . 119.1986084 . 56.05324978 . A 165 ASP H A 165 ASP N A 165 ASP CA 254 14801 . . 56.68517685 . 9.071303686 . 121.59048 . 53.78592525 . A 65 ASN H A 65 ASN N A 65-1 . CA 255 14802 . . 77.55742645 . 9.071898444 . 121.604691 . 50.57090039 . A 65 ASN H A 65 ASN N A 65 ASN CA 256 14803 . . 57.60028839 . 9.02985573 . 121.3902655 . 58.61442099 . A 169 ILE H A 169 ILE N A 169-1 . CA 257 14804 . . 129.0788879 . 9.030207238 . 121.4243808 . 56.97610634 . A 169 ILE H A 169 ILE N A 169 ILE CA 258 14806 . . 55.73662949 . 8.990754831 . 120.8356253 . 58.26430817 . A 129 SER H A 129 SER N A 129-1 . CA 259 14807 . . 139.3920593 . 8.990073472 . 120.8354078 . 54.66022977 . A 129 SER H A 129 SER N A 129 SER CA 260 14818 . . 76.49098969 . 9.031839997 . 119.900437 . 57.54112132 . A 25 ASP H A 25 ASP N A 25-1 . CA 261 14819 . . 320.4052734 . 9.033475685 . 119.9128672 . 53.07426431 . A 25 ASP H A 25 ASP N A 25 ASP CA 262 14820 . . 69.11374664 . 8.898578578 . 120.4805626 . 56.99683125 . A 170 PHE H A 170 PHE N A 170-1 . CA 263 14822 . . 161.0381622 . 8.900079097 . 120.487053 . 54.98699893 . A 170 PHE H A 170 PHE N A 170 PHE CA 264 14826 . . 54.4538002 . 8.80907611 . 120.0121626 . 55.85924547 . A 44 LYS H A 44 LYS N A 44-1 . CA 265 14827 . . 144.2721252 . 8.809078372 . 120.0234386 . 54.96063314 . A 44 LYS H A 44 LYS N A 44 LYS CA 266 14828 . . 58.76424026 . 8.744458402 . 122.2434796 . 61.99046296 . A 33 VAL H A 33 VAL N A 33 VAL CA 267 14830 . . 46.05907822 . 8.747868977 . 122.2588895 . 55.73323381 . A 33 VAL H A 33 VAL N A 33-1 . CA 268 14833 . . 183.5646667 . 8.823046042 . 122.1843056 . 57.50477644 . A 24 SER H A 24 SER N A 24 SER CA 269 14836 . . 125.8428879 . 8.82210825 . 122.1728212 . 49.37760093 . A 24 SER H A 24 SER N A 24-1 . CA 270 14842 . . 35.68718719 . 8.886940711 . 121.5852973 . 53.69884193 . A 121 ALA H A 121 ALA N A 121-1 . CA 271 14843 . . 126.607399 . 8.885494591 . 121.5660048 . 48.6906941 . A 121 ALA H A 121 ALA N A 121 ALA CA 272 14851 . . 76.64303589 . 8.551873259 . 122.591465 . 56.02662681 . A 158 ALA H A 158 ALA N A 158-1 . CA 273 14852 . . 227.1291199 . 8.551873259 . 122.591465 . 52.85965905 . A 158 ALA H A 158 ALA N A 158 ALA CA 274 14853 . . 41.02314377 . 8.551564439 . 122.1736168 . 62.01918715 . '#172' @203 . H '#172' @203 . N '#172' @203-1 . CA 275 14856 . . 140.0090637 . 8.549409258 . 122.1696193 . 51.7344171 . '#172' @203 . H '#172' @203 . N '#172' @203 . CA 276 14859 . . 106.9857483 . 8.722618389 . 120.9038007 . 56.14286826 . A 119 GLN H A 119 GLN N A 119 GLN CA 277 14860 . . 45.73691177 . 8.72661646 . 120.9207956 . 50.33743527 . A 119 GLN H A 119 GLN N A 119-1 . CA 278 14862 . . 167.0578918 . 8.66956699 . 120.6402914 . 60.06275637 . . . . . . . . . A 21-1 . CA 279 14863 . . 176.4863434 . 8.66903821 . 120.6457787 . 51.57250116 . . . . . . . . . A 21 ASP CA 280 14866 . . 128.7506714 . 8.442120101 . 122.1258626 . 53.53339649 . A 2 ASP H A 2 ASP N A 2-1 . CA 281 14867 . . 245.194046 . 8.442129501 . 122.108605 . 51.55762981 . A 2 ASP H A 2 ASP N A 2 ASP CA 282 14875 . . 114.7987823 . 8.402990582 . 121.8200858 . 51.6883039 . A 146 LEU H A 146 LEU N A 146-1 . CA 283 14876 . . 247.454071 . 8.403207482 . 121.8424951 . 49.86926336 . A 146 LEU H A 146 LEU N A 146 LEU CA 284 14881 . . 137.9998627 . 8.51695117 . 121.1138571 . 54.1726223 . A 30 ARG H A 30 ARG N A 30 ARG CA 285 14886 . . 82.69889069 . 8.517417433 . 121.1052339 . 41.01550787 . A 30 ARG H A 30 ARG N A 30-1 . CA 286 14887 . . 100.711647 . 8.46073994 . 120.8416201 . 57.51334823 . A 110 VAL H A 110 VAL N A 110 VAL CA 287 14888 . . 76.10865784 . 8.461662945 . 120.8416201 . 50.4700418 . A 110 VAL H A 110 VAL N A 110-1 . CA 288 14889 . . 78.48633575 . 8.415644625 . 120.8695934 . 58.27499678 . A 102 TYR H A 102 TYR N A 102 TYR CA 289 14892 . . 45.13437271 . 8.412153427 . 120.8262976 . 52.13895711 . A 102 TYR H A 102 TYR N A 102-1 . CA 290 14893 . . 670.8793945 . 8.325531089 . 120.2873339 . 53.13201686 . A 6 ASN H A 6 ASN N A 6-1 . CA 291 14894 . . 1391.563232 . 8.324384863 . 120.2873339 . 50.366523 . A 6 ASN H A 6 ASN N A 6 ASN CA 292 14895 . . 34.38215256 . 8.375539185 . 120.1176992 . 64.78323949 . A 156 ARG H A 156 ARG N A 156-1 . CA 293 14896 . . 178.8639526 . 8.375539185 . 120.1176992 . 57.19322403 . A 156 ARG H A 156 ARG N A 156 ARG CA 294 14917 . . -12.233675 . 8.231978205 . 121.6794348 . 38.43038968 . . . . . . . . . . . . . 295 14921 . . 80.69366455 . 8.325658176 . 121.3494511 . 58.58215491 . A 152 GLU H A 152 GLU N A 152-1 . CA 296 14922 . . 141.5701141 . 8.318099481 . 121.3152278 . 57.97449233 . A 154 PHE H A 154 PHE N A 154 PHE CA 297 14923 . . 53.48214722 . 8.319497587 . 121.3349424 . 57.21259743 . A 154 PHE H A 154 PHE N A 154-1 . CA 298 14924 . . 220.2850189 . 8.325783205 . 121.3697578 . 56.59772042 . A 152 GLU H A 152 GLU N A 152 GLU CA 299 14930 . . 737.4719238 . 8.157050121 . 121.9610774 . 59.65514368 . A 5 GLN H A 5 GLN N A 5-1 . CA 300 14931 . . 2507.616699 . 8.158437055 . 121.9610774 . 53.14422797 . A 5 GLN H A 5 GLN N A 5 GLN CA 301 14932 . . 209.037735 . 8.079558771 . 121.6474721 . 60.32098591 . A 46 GLU H A 46 GLU N A 46-1 . CA 302 14933 . . 441.2561646 . 8.08299745 . 121.6474721 . 54.45413717 . A 46 GLU H A 46 GLU N A 46 GLU CA 303 14934 . . 1305.443237 . 8.056250965 . 121.0093752 . 53.27801839 . '#170' @218 . H '#170' @218 . N '#170' @218-1 . CA 304 14935 . . 3797.09082 . 8.056250965 . 121.0093752 . 51.83829909 . '#170' @218 . H '#170' @218 . N '#170' @218 . CA 305 14946 . . 412.9867249 . 7.985355517 . 120.8521068 . 52.53261686 . A 132 LYS H A 132 LYS N A 132 LYS CA 306 14947 . . 284.0049744 . 7.945983977 . 120.8571621 . 57.39277288 . A 115 THR H A 115 THR N A 115 THR CA 307 14971 . . 41.20628738 . 7.985306023 . 134.3368254 . 61.16065423 . A 113 ALA H A 113 ALA N A 113-1 . CA 308 14973 . . 56.09357834 . 7.984219391 . 134.3364368 . 51.00238507 . A 113 ALA H A 113 ALA N A 113 ALA CA 309 14979 . . 223.6083679 . 8.208466886 . 121.44769 . 57.26789722 . A 153 ARG H A 153 ARG N A 153 ARG CA 310 14980 . . 69.44033813 . 8.207920946 . 121.4322022 . 56.62469751 . A 153 ARG H A 153 ARG N A 153-1 . CA 311 14984 . . 144.5690613 . 8.226251548 . 121.3183408 . 53.5302456 . A 73 ASP H A 73 ASP N A 73-1 . CA 312 14985 . . 251.7203369 . 8.225701704 . 121.3262884 . 52.87265042 . A 73 ASP H A 73 ASP N A 73 ASP CA 313 14997 . . 106.5794754 . 8.742163943 . 121.6257432 . 56.23098916 . A 60 GLU H A 60 GLU N A 60 GLU CA 314 14998 . . 62.24161911 . 8.740637282 . 121.6097864 . 53.32271427 . A 60 GLU H A 60 GLU N A 60-1 . CA 315 14999 . . 125.3781815 . 8.741692213 . 121.6221351 . 51.73834618 . A 100 HIS H A 100 HIS N A 100 HIS CA 316 15000 . . 64.99250031 . 8.741185648 . 121.5899323 . 51.17723071 . A 100 HIS H A 100 HIS N A 100-1 . CA 317 15005 . . 133.6283722 . 8.110903431 . 116.6083931 . 56.37372087 . A 159 LYS H A 159 LYS N A 159 LYS CA 318 15006 . . 267.3771057 . 8.107851704 . 116.6083931 . 53.4917977 . A 147 SER H A 147 SER N A 147 SER CA 319 15007 . . 48.68217468 . 8.110140145 . 116.6083931 . 52.82600687 . A 159 LYS H A 159 LYS N A 159-1 . CA 320 15008 . . 77.22244263 . 8.108614475 . 116.6083931 . 49.85848313 . A 147 SER H A 147 SER N A 147-1 . CA 321 15009 . . 69.50547028 . 9.282126324 . 126.8880132 . 54.64194161 . A 130 GLU H A 130 GLU N A 130-1 . CA 322 15010 . . 189.7428589 . 7.98830648 . 120.8605856 . 52.17536269 . A 132 LYS H A 132 LYS N A 132-1 . CA 323 15011 . . 8.494128227 . 8.677699914 . 128.35989 . 52.86911746 . @- @33 . H @- @33 . N @- @33-1 . CA 324 15013 . . 0.3258797526 . 8.674301194 . 128.35989 . 37.86347187 . @- @33 . H @- @33 . N @- @33 . CB 325 15015 . . 8.664050102 . 9.040981604 . 126.4211413 . 53.74693961 . @- @49 . H @- @49 . N @- @49-1 . CA 326 15042 . . 38.65104294 . 6.954991497 . 110.6466805 . 63.58702026 . . . . . . . . . . . . . 327 15043 . . 42.7660675 . 9.00420209 . 120.4100738 . 53.18806026 . @- @194 . H @- @194 . N @- @194-1 . CA 328 15044 . . 93.24998474 . 9.005585987 . 120.4100738 . 51.59544843 . @- @194 . H @- @194 . N @- @194 . CA 329 15046 . . 135.5274506 . 7.946681971 . 120.8571621 . 57.11832689 . A 115 THR H A 115 THR N A 115-1 . CA 330 15047 . . -1.646098614 . 7.944980811 . 120.8571621 . 66.12706074 . A 115 THR H A 115 THR N A 115-1 . CB 331 15048 . . 63.32408524 . 8.996228016 . 127.0949713 . 51.10649192 . A 43 LYS H A 43 LYS N A 43-1 . CA 332 15049 . . 104.7726822 . 8.99693755 . 127.0949713 . 55.8404216 . A 43 LYS H A 43 LYS N A 43 LYS CA 333 15050 . . 99.25196075 . 9.008043781 . 127.0949713 . 52.15481777 . A 101 ARG H A 101 ARG N A 101 ARG CA 334 15051 . . 47.12017441 . 9.010706195 . 127.0949713 . 51.70789421 . A 101 ARG H A 101 ARG N A 101-1 . CA 335 15052 . . -3.41269803 . 8.107444696 . 116.6083931 . 45.11489085 . A 147 SER H A 147 SER N A 147-1 . CB 336 15053 . . -15.17020988 . 8.107132638 . 116.6083931 . 60.17380433 . A 147 SER H A 147 SER N A 147 SER CB 337 15054 . . -2.634101868 . 8.31476669 . 121.346806 . 37.49590614 . A 154 PHE H A 154 PHE N A 154 PHE CB 338 15055 . . 105.6065598 . 9.482581034 . 109.5650916 . 41.03897704 . A 29 GLY H A 29 GLY N A 29 GLY CA 339 15056 . . 45.30862045 . 9.484825646 . 109.5650916 . 52.99698832 . A 29 GLY H A 29 GLY N A 29-1 . CA 340 15057 . . 29.777771 . 9.29509313 . 124.2646194 . 51.86646862 . @- @566 . H @- @566 . N @- @566 . CA 341 15058 . . 17.97693253 . 9.295171259 . 124.2646194 . 50.09812757 . @- @566 . H @- @566 . N @- @566-1 . CA 342 15059 . . 822.4647217 . 8.174068591 . 115.7986496 . 59.29100144 . '#170' 702 THR H '#170' 702 THR N '#170' 702 THR CA 343 15060 . . 6.174014091 . 8.174845858 . 115.7986496 . 61.12379106 . '#170' 702 THR H '#170' 702 THR N '#170' 702-1 . CB 344 15061 . . -11.39718819 . 8.174586579 . 115.7986496 . 67.08900578 . '#170' 702 THR H '#170' 702 THR N '#170' 702 THR CB 345 15062 . . 320.7033691 . 8.175225347 . 115.7986496 . 55.73180494 . '#170' 702 THR H '#170' 702 THR N '#170' 702-1 . CA 346 15063 . . 25.64969635 . 8.804830453 . 127.0128407 . 57.60784006 . @- @583 . H @- @583 . N @- @583 . CA 347 15064 . . 11.99995804 . 8.806654688 . 127.0128407 . 51.65234047 . @- @583 . H @- @583 . N @- @583-1 . CA 348 15065 . . 146.2106018 . 8.338245033 . 117.9053952 . 50.9284897 . A 164 LYS H A 164 LYS N A 164 LYS CA 349 15066 . . 65.34908295 . 8.34076264 . 117.9053952 . 51.37809611 . A 164 LYS H A 164 LYS N A 164-1 . CA 350 15067 . . -0.3049613833 . 8.3431306 . 117.9053952 . 38.54141949 . A 164 LYS H A 164 LYS N A 164-1 . CB 351 15068 . . 61.75119019 . 9.009270413 . 120.3972993 . 59.59846886 . A 71 VAL H A 71 VAL N A 71 VAL CA 352 15069 . . 36.80817413 . 9.010006123 . 120.3972993 . 50.63898588 . A 71 VAL H A 71 VAL N A 71-1 . CA 353 15070 . . -0.277082026 . 8.22514288 . 121.2158474 . 38.58235863 . A 73 ASP H A 73 ASP N A 73 ASP CB 354 15071 . . 1054.114136 . 8.019283187 . 120.7536217 . 51.81906176 . @- @602 . H @- @602 . N @- @602 . CA 355 15072 . . 333.5593872 . 8.019283187 . 120.7536217 . 53.34415382 . @- @602 . H @- @602 . N @- @602-1 . CA 356 15073 . . 11.98565674 . 8.01762668 . 120.7536217 . 38.62430938 . @- @602 . H @- @602 . N @- @602 . CB 357 15074 . . 47.4842453 . 8.061634056 . 120.2565048 . 51.64185495 . @- @603 . H @- @603 . N @- @603 . CA 358 15075 . . -7.223709106 . 8.063128146 . 120.2565048 . 53.24984882 . @- @603 . H @- @603 . N @- @603-1 . CA 359 15076 . . -2.06701231 . 8.059777996 . 120.2565048 . 38.79629491 . @- @603 . H @- @603 . N @- @603 . CB 360 15077 . . 15.82371426 . 7.940640921 . 116.0036931 . 43.42792303 . @- @610 . H @- @610 . N @- @610 . CA 361 15078 . . 12.98617077 . 8.455726808 . 116.6375262 . 55.8134546 . @- @635 . H @- @635 . N @- @635 . CA 362 15079 . . 2.216055393 . 8.456655044 . 116.6375262 . 51.84096507 . @- @635 . H @- @635 . N @- @635-1 . CA 363 15080 . . 2.768152952 . 8.456278191 . 116.6375262 . 61.07607522 . @- @635 . H @- @635 . N @- @635 . CB 364 15081 . . -0.8704849482 . 8.456078342 . 116.6375262 . 38.65276575 . @- @635 . H @- @635 . N @- @635-1 . CB 365 15082 . . 69.11530304 . 9.28199391 . 126.4904975 . 49.89332903 . '#171' @718 . H '#171' @718 . N '#171' @718 . CA 366 15083 . . 39.32892609 . 9.28414266 . 126.4904975 . 58.85250444 . '#171' @718 . H '#171' @718 . N '#171' @718-1 . CA 367 15084 . . -2.162236691 . 9.283354279 . 126.4904975 . 68.79766853 . '#171' @718 . H '#171' @718 . N '#171' @718-1 . CB 368 15085 . . 58.67889023 . 8.435790188 . 126.8976679 . 56.22206144 . A 51 MET H A 51 MET N A 51 MET CA 369 15086 . . 20.21963692 . 8.43757427 . 126.8976679 . 61.307383 . A 51 MET H A 51 MET N A 51-1 . CA 370 15087 . . -2.315957069 . 8.435411584 . 126.8976679 . 65.83042843 . A 51 MET H A 51 MET N A 51-1 . CB 371 15088 . . 48.75312805 . 6.577962622 . 110.8257591 . 57.10140079 . A 28 ARG H A 28 ARG N A 28-1 . CA 372 15089 . . 286.9754639 . 6.579540827 . 110.8257591 . 53.03639882 . A 28 ARG H A 28 ARG N A 28 ARG CA 373 15090 . . -2.538013935 . 6.579225387 . 110.8257591 . 38.76881215 . A 28 ARG H A 28 ARG N A 28-1 . CB 374 15091 . . 151.5479736 . 7.537922739 . 118.4513215 . 53.89682297 . '#173' @727 . H '#173' @727 . N '#173' @727 . CA 375 15092 . . 44.68675995 . 7.537345844 . 118.4513215 . 55.20484702 . '#173' @727 . H '#173' @727 . N '#173' @727-1 . CA 376 15093 . . 3.139159679 . 8.742773556 . 121.6031575 . 39.14633966 . A 100 HIS H A 100 HIS N A 100-1 . CB 377 15094 . . -0.2959282994 . 9.010389242 . 120.3972993 . 42.43891211 . A 71 VAL H A 71 VAL N A 70 LEU CB 378 15095 . . -3.244227648 . 9.009471115 . 120.3972993 . 39.80999118 . @- @194 . H @- @194 . N @- @194-1 . CB stop_ save_ # End of data_mLcn2_12_22_linux_final_cleaned ; 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 . 'not observed' 5.614 ppm . . . . . . 52144 3 2 . . N 15 N . 'not observed' 32.303 ppm . . . . . . 52144 3 3 . . C 13 CA . 'not observed' 31.999 ppm . . . . . . 52144 3 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 1 $software_1 . . 52144 3 stop_ save_ save_spectral_peak_list_4 _Spectral_peak_list.Sf_category spectral_peak_list _Spectral_peak_list.Sf_framecode spectral_peak_list_4 _Spectral_peak_list.Entry_ID 52144 _Spectral_peak_list.ID 4 _Spectral_peak_list.Name HNcaCO _Spectral_peak_list.Sample_ID 1 _Spectral_peak_list.Sample_label $sample_1 _Spectral_peak_list.Sample_condition_list_ID 1 _Spectral_peak_list.Sample_condition_list_label $sample_conditions_1 _Spectral_peak_list.Chem_shift_reference_ID 1 _Spectral_peak_list.Chem_shift_reference_label $chem_shift_reference_1 _Spectral_peak_list.Experiment_ID 5 _Spectral_peak_list.Experiment_name '3D HN(CA)CO' _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 _Spectral_peak_list.Details . _Spectral_peak_list.Text_data_format text _Spectral_peak_list.Text_data ; data_mLcn2_12_22_linux_final_cleaned save_nef_nmr_meta_data _nef_nmr_meta_data.sf_category nef_nmr_meta_data _nef_nmr_meta_data.sf_framecode nef_nmr_meta_data _nef_nmr_meta_data.format_name nmr_exchange_format _nef_nmr_meta_data.format_version 1.1 _nef_nmr_meta_data.program_name AnalysisAssign _nef_nmr_meta_data.program_version 3.1.1 _nef_nmr_meta_data.creation_date 2023-08-11T09:29:14.173883 _nef_nmr_meta_data.uuid AnalysisAssign-2023-08-11T09:29:14.173883-1763349265 _nef_nmr_meta_data.coordinate_file_name . loop_ _nef_program_script.program_name _nef_program_script.script_name _nef_program_script.script CcpNmr exportProject . stop_ save_ save_nef_molecular_system _nef_molecular_system.sf_category nef_molecular_system _nef_molecular_system.sf_framecode nef_molecular_system save_ save_nef_nmr_spectrum_60-1-3D-HNcaCO`1` _nef_nmr_spectrum.sf_category nef_nmr_spectrum _nef_nmr_spectrum.sf_framecode nef_nmr_spectrum_60-1-3D-HNcaCO`1` _nef_nmr_spectrum.num_dimensions 3 _nef_nmr_spectrum.chemical_shift_list . _nef_nmr_spectrum.experiment_classification H[N[ca[CO]]] _nef_nmr_spectrum.experiment_type HNcaCO loop_ _nef_spectrum_dimension.dimension_id _nef_spectrum_dimension.axis_unit _nef_spectrum_dimension.axis_code _nef_spectrum_dimension.spectrometer_frequency _nef_spectrum_dimension.spectral_width _nef_spectrum_dimension.value_first_point _nef_spectrum_dimension.folding _nef_spectrum_dimension.absolute_peak_positions _nef_spectrum_dimension.is_acquisition 1 ppm 1H 799.75 5.614182593 10.68814 circular true true 2 ppm 15N 81.03796372 32.30339124 135.6517 circular true false 3 ppm 13C 201.0972975 12.70494954 178.8525 circular true false stop_ loop_ _nef_spectrum_dimension_transfer.dimension_1 _nef_spectrum_dimension_transfer.dimension_2 _nef_spectrum_dimension_transfer.transfer_type _nef_spectrum_dimension_transfer.is_indirect stop_ loop_ _nef_peak.index _nef_peak.peak_id _nef_peak.volume _nef_peak.volume_uncertainty _nef_peak.height _nef_peak.height_uncertainty _nef_peak.position_1 _nef_peak.position_uncertainty_1 _nef_peak.position_2 _nef_peak.position_uncertainty_2 _nef_peak.position_3 _nef_peak.position_uncertainty_3 _nef_peak.chain_code_1 _nef_peak.sequence_code_1 _nef_peak.residue_name_1 _nef_peak.atom_name_1 _nef_peak.chain_code_2 _nef_peak.sequence_code_2 _nef_peak.residue_name_2 _nef_peak.atom_name_2 _nef_peak.chain_code_3 _nef_peak.sequence_code_3 _nef_peak.residue_name_3 _nef_peak.atom_name_3 stop_ save_ # End of data_mLcn2_12_22_linux_final_cleaned ; 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 . 'not observed' 5.614 ppm . . . . . . 52144 4 2 . . N 15 NH . 'not observed' 32.303 ppm . . . . . . 52144 4 3 . . C 13 CO . 'not observed' 12.705 ppm . . . . . . 52144 4 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 1 $software_1 . . 52144 4 stop_ save_ save_spectral_peak_list_5 _Spectral_peak_list.Sf_category spectral_peak_list _Spectral_peak_list.Sf_framecode spectral_peak_list_5 _Spectral_peak_list.Entry_ID 52144 _Spectral_peak_list.ID 5 _Spectral_peak_list.Name HNcoCA _Spectral_peak_list.Sample_ID 1 _Spectral_peak_list.Sample_label $sample_1 _Spectral_peak_list.Sample_condition_list_ID 1 _Spectral_peak_list.Sample_condition_list_label $sample_conditions_1 _Spectral_peak_list.Chem_shift_reference_ID 1 _Spectral_peak_list.Chem_shift_reference_label $chem_shift_reference_1 _Spectral_peak_list.Experiment_ID 6 _Spectral_peak_list.Experiment_name '3D HN(CO)CA' _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 _Spectral_peak_list.Details . _Spectral_peak_list.Text_data_format text _Spectral_peak_list.Text_data ; data_mLcn2_12_22_linux_final_cleaned save_nef_nmr_meta_data _nef_nmr_meta_data.sf_category nef_nmr_meta_data _nef_nmr_meta_data.sf_framecode nef_nmr_meta_data _nef_nmr_meta_data.format_name nmr_exchange_format _nef_nmr_meta_data.format_version 1.1 _nef_nmr_meta_data.program_name AnalysisAssign _nef_nmr_meta_data.program_version 3.1.1 _nef_nmr_meta_data.creation_date 2023-08-11T09:29:47.671232 _nef_nmr_meta_data.uuid AnalysisAssign-2023-08-11T09:29:47.671232-222024412 _nef_nmr_meta_data.coordinate_file_name . loop_ _nef_program_script.program_name _nef_program_script.script_name _nef_program_script.script CcpNmr exportProject . stop_ save_ save_nef_molecular_system _nef_molecular_system.sf_category nef_molecular_system _nef_molecular_system.sf_framecode nef_molecular_system save_ save_nef_nmr_spectrum_70-1-3D-HNcoCA`1` _nef_nmr_spectrum.sf_category nef_nmr_spectrum _nef_nmr_spectrum.sf_framecode nef_nmr_spectrum_70-1-3D-HNcoCA`1` _nef_nmr_spectrum.num_dimensions 3 _nef_nmr_spectrum.chemical_shift_list . _nef_nmr_spectrum.experiment_classification H[N[co[CA]]] _nef_nmr_spectrum.experiment_type HNcoCA loop_ _nef_spectrum_dimension.dimension_id _nef_spectrum_dimension.axis_unit _nef_spectrum_dimension.axis_code _nef_spectrum_dimension.spectrometer_frequency _nef_spectrum_dimension.spectral_width _nef_spectrum_dimension.value_first_point _nef_spectrum_dimension.folding _nef_spectrum_dimension.absolute_peak_positions _nef_spectrum_dimension.is_acquisition 1 ppm 1H 799.75 5.614182593 10.68814 circular true true 2 ppm 15N 81.03796372 32.30339124 135.6517 circular true false 3 ppm 13C 201.0972975 31.9994675 68.99973 circular true false stop_ loop_ _nef_spectrum_dimension_transfer.dimension_1 _nef_spectrum_dimension_transfer.dimension_2 _nef_spectrum_dimension_transfer.transfer_type _nef_spectrum_dimension_transfer.is_indirect stop_ loop_ _nef_peak.index _nef_peak.peak_id _nef_peak.volume _nef_peak.volume_uncertainty _nef_peak.height _nef_peak.height_uncertainty _nef_peak.position_1 _nef_peak.position_uncertainty_1 _nef_peak.position_2 _nef_peak.position_uncertainty_2 _nef_peak.position_3 _nef_peak.position_uncertainty_3 _nef_peak.chain_code_1 _nef_peak.sequence_code_1 _nef_peak.residue_name_1 _nef_peak.atom_name_1 _nef_peak.chain_code_2 _nef_peak.sequence_code_2 _nef_peak.residue_name_2 _nef_peak.atom_name_2 _nef_peak.chain_code_3 _nef_peak.sequence_code_3 _nef_peak.residue_name_3 _nef_peak.atom_name_3 1 1 . . 303989.6562 . 9.132374535 . 109.6483768 . 55.03267037 . A 131 ASN H A 131 ASN N . . . . 2 2 . . 433136.5 . 9.286549897 . 126.8880132 . 54.66707441 . A 130 GLU H A 130 GLU N A 130-1 . CA 3 3 . . 1196389.375 . 7.985535702 . 120.8605856 . 52.18858626 . A 132 LYS H A 132 LYS N A 132-1 . CA 4 5 . . 150170.375 . 8.917166293 . 115.6055536 . 50.07118648 . . . . . . . . . . . . . 5 7 . . 78658.76562 . 8.677699914 . 128.35989 . 52.86911746 . @- @33 . H @- @33 . N @- @33-1 . CA 6 9 . . 10732.84082 . 8.672486803 . 128.35989 . 58.23807283 . @- @33 . H @- @33 . N @- @33 . CA 7 10 . . 683.7028809 . 8.674301194 . 128.35989 . 37.86347187 . @- @33 . H @- @33 . N @- @33 . CB 8 11 . . 91790.23438 . 9.436684803 . 124.1322597 . 58.81478336 . A 68 SER H A 68 SER N A 68-1 . CA 9 13 . . 60891.52734 . 9.040981604 . 126.4211413 . 53.74693961 . @- @49 . H @- @49 . N @- @49-1 . CA 10 15 . . 644890.625 . 8.831502374 . 125.7255582 . 55.58988885 . A 108 TYR H A 108 TYR N A 108-1 . CA 11 16 . . 7440.510742 . 8.829635686 . 125.7255582 . 39.0183734 . A 108 TYR H A 108 TYR N A 108 TYR CB 12 17 . . 3108.988281 . 8.830741345 . 125.7255582 . 62.25092992 . A 108 TYR H A 108 TYR N A 108-1 . CB 13 18 . . 200268.8906 . 6.525566556 . 111.008087 . 64.88714236 . . . . . . . . . . . . . 14 20 . . 21256.48828 . 6.954991497 . 110.6466805 . 63.58702026 . . . . . . . . . . . . . 15 21 . . 565582.8125 . 8.385050809 . 117.864844 . 57.98274266 . A 155 THR H A 155 THR N A 155-1 . CA 16 22 . . 328643.3438 . 9.00420209 . 120.4100738 . 53.18806026 . @- @194 . H @- @194 . N @- @194-1 . CA 17 23 . . 5082.625 . 9.005585987 . 120.4100738 . 51.59544843 . @- @194 . H @- @194 . N @- @194 . CA 18 24 . . 178911.5625 . 7.945333008 . 120.8571621 . 57.35887566 . A 115 THR H A 115 THR N A 115 THR CA 19 25 . . 715842.5 . 7.946681971 . 120.8571621 . 57.11832689 . A 115 THR H A 115 THR N A 115-1 . CA 20 26 . . 241.614502 . 7.944980811 . 120.8571621 . 66.12706074 . A 115 THR H A 115 THR N A 115-1 . CB 21 27 . . 387599.9062 . 8.996228016 . 127.0949713 . 51.10649192 . A 43 LYS H A 43 LYS N A 43-1 . CA 22 28 . . -18921.875 . 8.99693755 . 127.0949713 . 55.8404216 . A 43 LYS H A 43 LYS N A 43 LYS CA 23 29 . . 17450.10742 . 9.008043781 . 127.0949713 . 52.15481777 . A 101 ARG H A 101 ARG N A 101 ARG CA 24 30 . . 326139.6562 . 9.010706195 . 127.0949713 . 51.70789421 . A 101 ARG H A 101 ARG N A 101-1 . CA 25 31 . . -12033.78613 . 8.107444696 . 116.6083931 . 45.11489085 . A 147 SER H A 147 SER N A 147-1 . CB 26 32 . . -6519.439941 . 8.107132638 . 116.6083931 . 60.17380433 . A 147 SER H A 147 SER N A 147 SER CB 27 33 . . 15159.94531 . 8.31476669 . 121.346806 . 37.49590614 . A 154 PHE H A 154 PHE N A 154 PHE CB 28 34 . . 1.144226074 . 9.482581034 . 109.5650916 . 41.03897704 . A 29 GLY H A 29 GLY N A 29 GLY CA 29 35 . . 324129.8438 . 9.484825646 . 109.5650916 . 52.99698832 . A 29 GLY H A 29 GLY N A 29-1 . CA 30 36 . . -19005.17383 . 9.29509313 . 124.2646194 . 51.86646862 . @- @566 . H @- @566 . N @- @566 . CA 31 37 . . 120824.8516 . 9.295171259 . 124.2646194 . 50.09812757 . @- @566 . H @- @566 . N @- @566-1 . CA 32 38 . . 59391.30469 . 8.174068591 . 115.7986496 . 59.29100144 . '#170' 702 THR H '#170' 702 THR N '#170' 702 THR CA 33 39 . . -56150.40625 . 8.174845858 . 115.7986496 . 61.12379106 . '#170' 702 THR H '#170' 702 THR N '#170' 702-1 . CB 34 40 . . 46789.82422 . 8.174586579 . 115.7986496 . 67.08900578 . '#170' 702 THR H '#170' 702 THR N '#170' 702 THR CB 35 41 . . 9141072 . 8.175225347 . 115.7986496 . 55.73180494 . '#170' 702 THR H '#170' 702 THR N '#170' 702-1 . CA 36 42 . . 11942.37207 . 8.804830453 . 127.0128407 . 57.60784006 . @- @583 . H @- @583 . N @- @583 . CA 37 43 . . 174154.125 . 8.806654688 . 127.0128407 . 51.65234047 . @- @583 . H @- @583 . N @- @583-1 . CA 38 44 . . 57962.40234 . 8.338245033 . 117.9053952 . 50.9284897 . A 164 LYS H A 164 LYS N A 164 LYS CA 39 45 . . 430664.5 . 8.34076264 . 117.9053952 . 51.37809611 . A 164 LYS H A 164 LYS N A 164-1 . CA 40 46 . . -3150.826172 . 8.3431306 . 117.9053952 . 38.54141949 . A 164 LYS H A 164 LYS N A 164-1 . CB 41 47 . . -10728.11328 . 9.009270413 . 120.3972993 . 59.59846886 . A 71 VAL H A 71 VAL N A 71 VAL CA 42 48 . . 206783.2188 . 9.010006123 . 120.3972993 . 50.63898588 . A 71 VAL H A 71 VAL N A 71-1 . CA 43 49 . . -11805.36133 . 8.22514288 . 121.2158474 . 38.58235863 . A 73 ASP H A 73 ASP N A 73 ASP CB 44 50 . . 104777.4219 . 8.019283187 . 120.7536217 . 51.81906176 . @- @602 . H @- @602 . N @- @602 . CA 45 51 . . 10706503 . 8.019283187 . 120.7536217 . 53.34415382 . @- @602 . H @- @602 . N @- @602-1 . CA 46 52 . . -36420.60156 . 8.01762668 . 120.7536217 . 38.62430938 . @- @602 . H @- @602 . N @- @602 . CB 47 53 . . -4922.867188 . 8.061634056 . 120.2565048 . 51.64185495 . @- @603 . H @- @603 . N @- @603 . CA 48 54 . . 367106.1875 . 8.063128146 . 120.2565048 . 53.24984882 . @- @603 . H @- @603 . N @- @603-1 . CA 49 55 . . 3783.925781 . 8.059777996 . 120.2565048 . 38.79629491 . @- @603 . H @- @603 . N @- @603 . CB 50 56 . . 7615.990723 . 7.940640921 . 116.0036931 . 43.42792303 . @- @610 . H @- @610 . N @- @610 . CA 51 57 . . -9862.939453 . 8.455726808 . 116.6375262 . 55.8134546 . @- @635 . H @- @635 . N @- @635 . CA 52 58 . . 323023.6562 . 8.456655044 . 116.6375262 . 51.84096507 . @- @635 . H @- @635 . N @- @635-1 . CA 53 59 . . -609.5834961 . 8.456278191 . 116.6375262 . 61.07607522 . @- @635 . H @- @635 . N @- @635 . CB 54 60 . . 2677.850586 . 8.456078342 . 116.6375262 . 38.65276575 . @- @635 . H @- @635 . N @- @635-1 . CB 55 61 . . -5357.852539 . 9.28199391 . 126.4904975 . 49.89332903 . '#171' @718 . H '#171' @718 . N '#171' @718 . CA 56 62 . . 246572.8906 . 9.28414266 . 126.4904975 . 58.85250444 . '#171' @718 . H '#171' @718 . N '#171' @718-1 . CA 57 63 . . -930.7631226 . 9.283354279 . 126.4904975 . 68.79766853 . '#171' @718 . H '#171' @718 . N '#171' @718-1 . CB 58 64 . . -12857.14355 . 8.435790188 . 126.8976679 . 56.22206144 . A 51 MET H A 51 MET N A 51 MET CA 59 65 . . 168019.3906 . 8.43757427 . 126.8976679 . 61.307383 . A 51 MET H A 51 MET N A 51-1 . CA 60 66 . . 7766.032227 . 8.435411584 . 126.8976679 . 65.83042843 . A 51 MET H A 51 MET N A 51-1 . CB 61 67 . . 721057.125 . 6.577962622 . 110.8257591 . 57.10140079 . A 28 ARG H A 28 ARG N A 28-1 . CA 62 68 . . 9031.366211 . 6.579540827 . 110.8257591 . 53.03639882 . A 28 ARG H A 28 ARG N A 28 ARG CA 63 69 . . -10333.03906 . 6.579225387 . 110.8257591 . 38.76881215 . A 28 ARG H A 28 ARG N A 28-1 . CB 64 70 . . 5330.835938 . 7.537922739 . 118.4513215 . 53.89682297 . '#173' @727 . H '#173' @727 . N '#173' @727 . CA 65 71 . . 595618.875 . 7.537345844 . 118.4513215 . 55.20484702 . '#173' @727 . H '#173' @727 . N '#173' @727-1 . CA 66 72 . . -4985.876465 . 8.742773556 . 121.6031575 . 39.14633966 . A 100 HIS H A 100 HIS N A 100-1 . CB 67 73 . . 6826.498047 . 9.010389242 . 120.3972993 . 42.43891211 . A 71 VAL H A 71 VAL N A 70 LEU CB 68 74 . . 2557.630371 . 9.009471115 . 120.3972993 . 39.80999118 . @- @194 . H @- @194 . N @- @194-1 . CB stop_ save_ # End of data_mLcn2_12_22_linux_final_cleaned ; 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 . 'not observed' 5.614 ppm . . . . . . 52144 5 2 . . N 15 NH . 'not observed' 32.303 ppm . . . . . . 52144 5 3 . . C 13 CA . 'not observed' 31.999 ppm . . . . . . 52144 5 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 1 $software_1 . . 52144 5 stop_ save_ save_spectral_peak_list_6 _Spectral_peak_list.Sf_category spectral_peak_list _Spectral_peak_list.Sf_framecode spectral_peak_list_6 _Spectral_peak_list.Entry_ID 52144 _Spectral_peak_list.ID 6 _Spectral_peak_list.Name CBCANH _Spectral_peak_list.Sample_ID 1 _Spectral_peak_list.Sample_label $sample_1 _Spectral_peak_list.Sample_condition_list_ID 1 _Spectral_peak_list.Sample_condition_list_label $sample_conditions_1 _Spectral_peak_list.Chem_shift_reference_ID 1 _Spectral_peak_list.Chem_shift_reference_label $chem_shift_reference_1 _Spectral_peak_list.Experiment_ID 7 _Spectral_peak_list.Experiment_name '3D CBCANH' _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 _Spectral_peak_list.Details . _Spectral_peak_list.Text_data_format text _Spectral_peak_list.Text_data ; data_mLcn2_12_22_linux_final_cleaned save_nef_nmr_meta_data _nef_nmr_meta_data.sf_category nef_nmr_meta_data _nef_nmr_meta_data.sf_framecode nef_nmr_meta_data _nef_nmr_meta_data.format_name nmr_exchange_format _nef_nmr_meta_data.format_version 1.1 _nef_nmr_meta_data.program_name AnalysisAssign _nef_nmr_meta_data.program_version 3.1.1 _nef_nmr_meta_data.creation_date 2023-08-11T09:34:37.072363 _nef_nmr_meta_data.uuid AnalysisAssign-2023-08-11T09:34:37.072363-1140979885 _nef_nmr_meta_data.coordinate_file_name . loop_ _nef_program_script.program_name _nef_program_script.script_name _nef_program_script.script CcpNmr exportProject . stop_ save_ save_nef_molecular_system _nef_molecular_system.sf_category nef_molecular_system _nef_molecular_system.sf_framecode nef_molecular_system save_ save_nef_nmr_spectrum_80-1-3D-CBCANH`1` _nef_nmr_spectrum.sf_category nef_nmr_spectrum _nef_nmr_spectrum.sf_framecode nef_nmr_spectrum_80-1-3D-CBCANH`1` _nef_nmr_spectrum.num_dimensions 3 _nef_nmr_spectrum.chemical_shift_list . _nef_nmr_spectrum.experiment_classification . _nef_nmr_spectrum.experiment_type 80-1 loop_ _nef_spectrum_dimension.dimension_id _nef_spectrum_dimension.axis_unit _nef_spectrum_dimension.axis_code _nef_spectrum_dimension.spectrometer_frequency _nef_spectrum_dimension.spectral_width _nef_spectrum_dimension.value_first_point _nef_spectrum_dimension.folding _nef_spectrum_dimension.absolute_peak_positions _nef_spectrum_dimension.is_acquisition 1 ppm 1H 799.75 5.614182593 10.68814 circular true true 2 ppm 15N 81.03796372 32.30339124 135.6517 circular true false 3 ppm 13C 201.0972975 60.05697162 69.02849 circular true false stop_ loop_ _nef_spectrum_dimension_transfer.dimension_1 _nef_spectrum_dimension_transfer.dimension_2 _nef_spectrum_dimension_transfer.transfer_type _nef_spectrum_dimension_transfer.is_indirect stop_ loop_ _nef_peak.index _nef_peak.peak_id _nef_peak.volume _nef_peak.volume_uncertainty _nef_peak.height _nef_peak.height_uncertainty _nef_peak.position_1 _nef_peak.position_uncertainty_1 _nef_peak.position_2 _nef_peak.position_uncertainty_2 _nef_peak.position_3 _nef_peak.position_uncertainty_3 _nef_peak.chain_code_1 _nef_peak.sequence_code_1 _nef_peak.residue_name_1 _nef_peak.atom_name_1 _nef_peak.chain_code_2 _nef_peak.sequence_code_2 _nef_peak.residue_name_2 _nef_peak.atom_name_2 _nef_peak.chain_code_3 _nef_peak.sequence_code_3 _nef_peak.residue_name_3 _nef_peak.atom_name_3 1 1 . . 127.5165253 . 9.138664031 . 109.6215893 . 55.12466211 . A 131 ASN H A 131 ASN N A 131-1 . CA 2 2 . . 407.5340576 . 9.143426125 . 109.6507197 . 52.23863191 . A 131 ASN H A 131 ASN N A 131 ASN CA 3 3 . . -615.0878296 . 9.14853163 . 109.6438582 . 35.11923615 . A 131 ASN H A 131 ASN N A 131 ASN CB 4 4 . . -179.9487305 . 9.147028758 . 109.6201384 . 25.18739357 . A 131 ASN H A 131 ASN N A 131-1 . CB 5 7 . . 77.53510284 . 9.952437659 . 105.7307588 . 49.98217338 . A 141 GLY H A 141 GLY N A 141-1 . CA 6 8 . . 313.6165161 . 9.941636875 . 105.7408797 . 41.53009125 . A 141 GLY H A 141 GLY N A 141 GLY CA 7 9 . . 284.289978 . 9.437014369 . 116.5655791 . 57.19728434 . A 138 THR H A 138 THR N A 138 THR CA 8 10 . . 74.35157013 . 9.432901426 . 116.5655791 . 56.34450604 . A 138 THR H A 138 THR N A 138-1 . CA 9 12 . . -259.0764771 . 9.438141397 . 116.5655791 . 68.29595013 . A 138 THR H A 138 THR N A 138 THR CB 10 13 . . -122.7657471 . 9.441288378 . 116.5655791 . 39.42648509 . A 138 THR H A 138 THR N A 138-1 . CB 11 16 . . -153.2411346 . 9.14753201 . 115.1356715 . 65.00411616 . A 54 THR H A 54 THR N A 54-1 . CB 12 18 . . 267.5423279 . 9.140973466 . 115.1814624 . 59.04536679 . A 54 THR H A 54 THR N A 54 THR CA 13 19 . . 126.150589 . 9.142833421 . 115.2202385 . 52.67835733 . A 54 THR H A 54 THR N A 54-1 . CA 14 23 . . -308.6438599 . 9.140627648 . 115.2138222 . 10.28744609 . A 54 THR H A 54 THR N A 54 THR CB 15 26 . . -553.0255737 . 9.415992266 . 114.1614774 . 68.31193348 . A 95 THR H A 95 THR N A 95 THR CB 16 27 . . 460.8873901 . 9.416632927 . 114.1886225 . 57.40590094 . A 95 THR H A 95 THR N A 95 THR CA 17 28 . . 183.5858459 . 9.416284726 . 114.1450159 . 53.79752286 . A 95 THR H A 95 THR N A 95-1 . CA 18 31 . . -127.8330612 . 9.411013634 . 114.1486895 . 41.44462115 . A 95 THR H A 95 THR N A 95-1 . CB 19 46 . . 165.0684204 . 9.193693483 . 113.8317288 . 52.21980282 . A 97 GLY H A 97 GLY N A 97-1 . CA 20 47 . . 501.8775635 . 9.192856721 . 113.8120152 . 42.32450335 . A 97 GLY H A 97 GLY N A 97 GLY CA 21 48 . . -111.3396378 . 9.191309933 . 113.7894952 . 40.83560398 . A 97 GLY H A 97 GLY N A 97-1 . CB 22 53 . . 387.0099792 . 8.988222549 . 118.2268347 . 52.9249271 . A 122 MET H A 122 MET N A 122 MET CA 23 54 . . -63.3077774 . 8.979336102 . 118.0382111 . 52.08799921 . . . . . . . . . . . . . 24 55 . . 258.4899902 . 8.98852127 . 118.1987391 . 48.76351437 . A 122 MET H A 122 MET N A 122-1 . CA 25 58 . . -262.4241943 . 8.989267414 . 118.2313549 . 31.8992259 . A 122 MET H A 122 MET N A 122 MET CB 26 61 . . -293.4634399 . 8.988661163 . 118.2103712 . 20.41626384 . A 122 MET H A 122 MET N A 122-1 . CB 27 68 . . 343.7258301 . 8.94395821 . 116.8396033 . 51.4048255 . A 78 CYS H A 78 CYS N A 78 CYS CA 28 75 . . 452.7851562 . 8.942619063 . 116.83669 . 42.35701574 . A 78 CYS H A 78 CYS N A 78-1 . CA 29 78 . . -508.2722778 . 8.942797257 . 116.8199007 . 34.32542186 . A 78 CYS H A 78 CYS N A 78 CYS CB 30 89 . . -196.7541504 . 8.882144913 . 114.2820842 . 62.7064511 . A 64 TYR H A 64 TYR N A 64-1 . CB 31 92 . . 186.1825409 . 8.883949569 . 114.2820989 . 55.62019018 . A 64 TYR H A 64 TYR N A 64-1 . CA 32 93 . . 528.5392456 . 8.88560662 . 114.3031515 . 53.83986504 . A 64 TYR H A 64 TYR N A 64 TYR CA 33 95 . . -420.9443665 . 8.884640548 . 114.3038072 . 40.09152569 . A 64 TYR H A 64 TYR N A 64 TYR CB 34 96 . . 459.1461792 . 9.261315465 . 120.2025069 . 53.7345904 . A 94 PHE H A 94 PHE N A 94 PHE CA 35 98 . . 125.783577 . 9.259949073 . 120.1913057 . 51.18521247 . A 94 PHE H A 94 PHE N A 94-1 . CA 36 99 . . -343.669342 . 9.259787425 . 120.1861338 . 41.44238565 . A 94 PHE H A 94 PHE N A 94 PHE CB 37 100 . . -160.1208649 . 9.264808828 . 120.1737538 . 29.15029366 . A 94 PHE H A 94 PHE N A 94-1 . CB 38 101 . . 224.9069824 . 9.277209712 . 118.6790009 . 63.29694659 . A 118 ASN H A 118 ASN N A 118-1 . CA 39 102 . . 455.6725769 . 9.271760787 . 118.7211766 . 50.32355977 . A 118 ASN H A 118 ASN N A 118 ASN CA 40 103 . . -620.7702637 . 9.272729383 . 118.7095336 . 36.97574124 . A 118 ASN H A 118 ASN N A 118 ASN CB 41 104 . . -117.4413757 . 9.271216861 . 118.6586837 . 33.96947335 . A 118 ASN H A 118 ASN N A 118-1 . CB 42 105 . . 575.2179565 . 10.14383072 . 120.22466 . 53.80005727 . A 120 PHE H A 120 PHE N A 120 PHE CA 43 106 . . -344.3970032 . 10.14336449 . 120.2222289 . 43.24649683 . A 120 PHE H A 120 PHE N A 120 PHE CB 44 107 . . 368.7386169 . 9.778405581 . 119.9244087 . 55.78112519 . A 32 TYR H A 32 TYR N A 32 TYR CA 45 108 . . 116.3255234 . 9.773180503 . 119.9588251 . 52.59831402 . A 32 TYR H A 32 TYR N A 32-1 . CA 46 109 . . -270.970459 . 9.774829011 . 119.8991292 . 36.775573 . A 32 TYR H A 32 TYR N A 32 TYR CB 47 110 . . -136.9788666 . 9.783145611 . 119.9642512 . 29.97924961 . A 32 TYR H A 32 TYR N A 32-1 . CB 48 113 . . 91.45996094 . 10.14877702 . 120.220068 . 56.12556773 . A 120 PHE H A 120 PHE N A 120-1 . CA 49 127 . . -54.57855606 . 10.1266729 . 120.1958117 . 28.67366447 . A 120 PHE H A 120 PHE N A 120-1 . CB 50 128 . . 408.2487793 . 9.766895494 . 119.1970916 . 56.33292843 . A 137 ILE H A 137 ILE N A 137 ILE CA 51 129 . . 270.7901001 . 9.764340378 . 119.2117164 . 51.61281353 . A 137 ILE H A 137 ILE N A 137-1 . CA 52 131 . . -441.9821777 . 9.76523212 . 119.2270433 . 39.54511165 . A 137 ILE H A 137 ILE N A 137 ILE CB 53 132 . . -229.5893707 . 9.768334344 . 119.2126714 . 34.42844489 . A 137 ILE H A 137 ILE N A 137-1 . CB 54 137 . . 436.9765625 . 9.161163797 . 124.2080171 . 54.32452164 . A 134 TYR H A 134 TYR N A 134 TYR CA 55 138 . . 179.0494995 . 9.159970305 . 124.1545472 . 52.12947511 . A 134 TYR H A 134 TYR N A 134-1 . CA 56 140 . . -311.8108215 . 9.164937371 . 124.1940824 . 38.50412263 . A 134 TYR H A 134 TYR N A 134 TYR CB 57 141 . . -146.2034912 . 9.168013679 . 124.1823906 . 27.17740261 . A 134 TYR H A 134 TYR N A 134-1 . CB 58 143 . . -190.3038483 . 9.431005305 . 124.1539599 . 61.97305411 . A 68 SER H A 68 SER N A 68 SER CB 59 145 . . 141.0291595 . 9.440680207 . 124.1413877 . 54.90894198 . A 68 SER H A 68 SER N A 68 SER CA 60 147 . . 100.7649307 . 9.189662549 . 123.5856009 . 51.72075325 . A 40 ALA H A 40 ALA N A 40-1 . CA 61 148 . . -84.87266541 . 9.169004777 . 123.6260745 . 34.67325167 . A 40 ALA H A 40 ALA N A 40-1 . CB 62 152 . . 266.6368408 . 9.182262541 . 123.4827239 . 48.3544679 . A 40 ALA H A 40 ALA N A 40 ALA CA 63 154 . . -442.0625916 . 9.180307377 . 123.5991199 . 16.01805232 . A 40 ALA H A 40 ALA N A 40 ALA CB 64 155 . . 270.9725342 . 9.359216573 . 123.5883692 . 56.21237931 . '#171' 604 . H '#171' 604 . N '#171' 604 . CA 65 156 . . 138.1071472 . 9.361335759 . 123.579931 . 49.87379873 . '#171' 604 . H '#171' 604 . N '#171' 604-1 . CA 66 157 . . -131.8380737 . 9.35930259 . 123.5780042 . 36.79891964 . '#171' 604 . H '#171' 604 . N '#171' 604-1 . CB 67 158 . . -238.853241 . 9.353131174 . 123.5852758 . 30.68453497 . '#171' 604 . H '#171' 604 . N '#171' 604 . CB 68 160 . . 521.6878052 . 9.287132176 . 123.1375874 . 52.09246127 . A 36 LEU H A 36 LEU N A 36 LEU CA 69 162 . . -384.6482239 . 9.289684777 . 123.1453162 . 44.84618533 . A 36 LEU H A 36 LEU N A 36 LEU CB 70 163 . . 329.0851746 . 9.288466388 . 123.1379129 . 42.83619991 . A 36 LEU H A 36 LEU N A 36-1 . CA 71 165 . . 234.7694092 . 9.578907419 . 127.2259192 . 57.64051012 . A 111 GLN H A 111 GLN N A 111-1 . CA 72 166 . . 481.4589539 . 9.581170577 . 127.2634871 . 52.80569709 . A 111 GLN H A 111 GLN N A 111 GLN CA 73 168 . . -188.939209 . 9.585078148 . 127.2537935 . 32.92805298 . A 111 GLN H A 111 GLN N A 111-1 . CB 74 169 . . -360.0895996 . 9.581797502 . 127.2702704 . 31.45534627 . A 111 GLN H A 111 GLN N A 111 GLN CB 75 172 . . 297.7781067 . 9.353659317 . 127.1170534 . 49.91865563 . A 140 TYR H A 140 TYR N A 140 TYR CA 76 173 . . -257.8365479 . 9.360246318 . 127.1519725 . 38.41958145 . A 140 TYR H A 140 TYR N A 140 TYR CB 77 174 . . -104.6666031 . 9.354893974 . 127.1147567 . 37.25653448 . A 140 TYR H A 140 TYR N A 140-1 . CB 78 177 . . 185.1461639 . 9.435301478 . 127.0279957 . 57.5457982 . A 55 ILE H A 55 ILE N A 55 ILE CA 79 178 . . -208.942688 . 9.432392968 . 127.0098964 . 37.28614555 . A 55 ILE H A 55 ILE N A 55 ILE CB 80 180 . . -407.4482727 . 9.284011508 . 126.9006051 . 62.40403617 . A 130 GLU H A 130 GLU N A 130-1 . CB 81 181 . . 473.8674622 . 9.28384649 . 126.907567 . 54.97013204 . A 130 GLU H A 130 GLU N A 130 GLU CA 82 182 . . -473.2833557 . 9.2812884 . 126.8840887 . 25.11614015 . A 130 GLU H A 130 GLU N A 130 GLU CB 83 183 . . 269.0856018 . 9.17613196 . 130.6017035 . 58.65827422 . A 66 VAL H A 66 VAL N A 66 VAL CA 84 184 . . 193.3739319 . 9.174611916 . 130.5913682 . 50.55677556 . A 66 VAL H A 66 VAL N A 66-1 . CA 85 185 . . -308.0629578 . 9.175238062 . 130.6104976 . 36.32172756 . A 66 VAL H A 66 VAL N A 66-1 . CB 86 186 . . -275.6669617 . 9.175495736 . 130.6063077 . 29.7171888 . A 66 VAL H A 66 VAL N A 66 VAL CB 87 187 . . 138.9177704 . 9.141693216 . 128.1834633 . 59.2391811 . A 124 PHE H A 124 PHE N A 124-1 . CA 88 190 . . 327.8315125 . 9.141465057 . 128.2143008 . 54.15233125 . A 124 PHE H A 124 PHE N A 124 PHE CA 89 192 . . -216.5067291 . 9.136816657 . 128.2449976 . 40.43841225 . A 124 PHE H A 124 PHE N A 124 PHE CB 90 193 . . -155.6694641 . 9.139632635 . 128.2184756 . 31.13950801 . A 124 PHE H A 124 PHE N A 124-1 . CB 91 194 . . 232.7071838 . 8.944228475 . 132.6959144 . 53.34638544 . A 58 LEU H A 58 LEU N A 58 LEU CA 92 195 . . 124.2112885 . 8.941940122 . 132.6503828 . 52.48378413 . A 58 LEU H A 58 LEU N A 58-1 . CA 93 196 . . -191.4820709 . 8.940663654 . 132.6563323 . 41.08635838 . A 58 LEU H A 58 LEU N A 58 LEU CB 94 197 . . -102.1455994 . 8.94446507 . 132.7426498 . 28.67184869 . A 58 LEU H A 58 LEU N A 58-1 . CB 95 198 . . 124.0944061 . 8.888455741 . 130.1710679 . 54.14213186 . A 31 TRP H A 31 TRP N A 31-1 . CA 96 199 . . 271.3719482 . 8.885854576 . 130.1969175 . 52.56521635 . A 31 TRP H A 31 TRP N A 31 TRP CA 97 200 . . -157.549057 . 8.889483195 . 130.1474906 . 29.88177507 . A 31 TRP H A 31 TRP N . . . . 98 201 . . -145.7634583 . 8.895161738 . 130.1889587 . 28.80868174 . A 31 TRP H A 31 TRP N A 31-1 . CB 99 202 . . 113.4757767 . 8.854797717 . 128.2018561 . 57.52646348 . A 56 TYR H A 56 TYR N A 56-1 . CA 100 203 . . 191.1481628 . 8.851855635 . 128.2229113 . 54.82053655 . A 56 TYR H A 56 TYR N A 56 TYR CA 101 204 . . -123.4026184 . 8.853736841 . 128.1747743 . 37.1517073 . A 56 TYR H A 56 TYR N A 56-1 . CB 102 205 . . -184.8063049 . 8.858635231 . 128.1948577 . 36.04184355 . A 56 TYR H A 56 TYR N A 56 TYR CB 103 207 . . 384.6650085 . 8.253315926 . 130.2076246 . 50.46948878 . A 19 GLN H A 19 GLN N A 19 GLN CA 104 208 . . -160.7442017 . 8.258964084 . 130.2287606 . 43.22564522 . A 19 GLN H A 19 GLN N A 19-1 . CB 105 210 . . -299.2619019 . 8.254218625 . 130.2001164 . 26.12585892 . A 19 GLN H A 19 GLN N A 19 GLN CB 106 211 . . 189.0270386 . 8.255283519 . 130.1920407 . 49.70101728 . A 19 GLN H A 19 GLN N A 19-1 . CA 107 212 . . 285.4651794 . 8.480196091 . 128.0254953 . 61.27028213 . A 112 VAL H A 112 VAL N A 112 VAL CA 108 213 . . 207.8074493 . 8.478413865 . 127.9421929 . 52.87390958 . A 112 VAL H A 112 VAL N A 112-1 . CA 109 214 . . -160.4479065 . 8.472932075 . 127.9359233 . 31.56621237 . A 112 VAL H A 112 VAL N A 112-1 . CB 110 215 . . -260.2956238 . 8.480781226 . 127.9856317 . 27.61583756 . A 112 VAL H A 112 VAL N A 112 VAL CB 111 217 . . 111.5812759 . 8.459285656 . 127.207069 . 59.60431416 . A 72 ARG H A 72 ARG N A 72-1 . CA 112 218 . . 236.8450623 . 8.460055367 . 127.1882504 . 53.5720696 . A 72 ARG H A 72 ARG N A 72 ARG CA 113 220 . . -118.1256027 . 8.465619769 . 127.1286066 . 29.86579183 . A 72 ARG H A 72 ARG N A 72-1 . CB 114 221 . . -234.4495697 . 8.459745073 . 127.149121 . 28.55871665 . A 72 ARG H A 72 ARG N A 72 ARG CB 115 222 . . -8067.612793 . 7.884456105 . 127.2023468 . 67.06097652 . '#170' 703 GLN H '#170' 703 GLN N '#170' 703-1 . CB 116 223 . . 6490.048828 . 7.884231633 . 127.2017109 . 59.37584323 . '#170' 703 GLN H '#170' 703 GLN N '#170' 703-1 . CA 117 224 . . 23232.50391 . 7.884290139 . 127.1926986 . 54.7308657 . '#170' 703 GLN H '#170' 703 GLN N '#170' 703 GLN CA 118 228 . . -21554.4043 . 7.884238513 . 127.1960062 . 27.71504108 . '#170' 703 GLN H '#170' 703 GLN N '#170' 703 GLN CB 119 229 . . -123.5667572 . 8.215287767 . 125.9685517 . 68.34822785 . A 139 LEU H A 139 LEU N A 139-1 . CB 120 231 . . 161.6964111 . 8.198363046 . 125.7800041 . 57.3227102 . A 139 LEU H A 139 LEU N A 139-1 . CA 121 233 . . 156.9110107 . 8.204049212 . 125.8446414 . 50.44764919 . A 139 LEU H A 139 LEU N A 139 LEU CA 122 237 . . -204.7823639 . 8.207325122 . 125.9412838 . 37.01936673 . A 139 LEU H A 139 LEU N A 139 LEU CB 123 243 . . 346.7148743 . 8.304054859 . 125.6131227 . 60.00728975 . A 42 GLN H A 42 GLN N A 42-1 . CA 124 246 . . 472.5066528 . 8.303921517 . 125.6289268 . 51.2522544 . A 42 GLN H A 42 GLN N A 42 GLN CA 125 253 . . -283.5654907 . 8.307097348 . 125.6248907 . 29.87063871 . A 42 GLN H A 42 GLN N A 42-1 . CB 126 254 . . -512.1600342 . 8.304736201 . 125.6425721 . 28.35435304 . A 42 GLN H A 42 GLN N A 42 GLN CB 127 261 . . 715.4158936 . 8.430734758 . 125.6264086 . 51.39886534 . A 91 ALA H A 91 ALA N A 91-1 . CA 128 262 . . 1300.512573 . 8.429810096 . 125.6505064 . 50.51810971 . A 91 ALA H A 91 ALA N A 91 ALA CA 129 263 . . -645.4953003 . 8.430151833 . 125.6393234 . 30.16848194 . A 91 ALA H A 91 ALA N A 91-1 . CB 130 264 . . -1416.964111 . 8.429854944 . 125.6472393 . 15.66829461 . A 91 ALA H A 91 ALA N A 91 ALA CB 131 266 . . -139.8328705 . 8.565772951 . 125.0900293 . 68.00984475 . A 67 THR H A 67 THR N A 67 THR CB 132 267 . . 179.5373077 . 8.572862472 . 125.0959199 . 58.83511908 . A 67 THR H A 67 THR N A 67 THR CA 133 268 . . 576.8149414 . 8.493438407 . 125.0178487 . 53.31011618 . A 176 GLN H A 176 GLN N A 176 GLN CA 134 269 . . 83.3500824 . 8.497695742 . 124.9759684 . 50.95779217 . A 176 GLN H A 176 GLN N A 176-1 . CA 135 270 . . -152.7841644 . 8.49491189 . 124.9786346 . 38.2930865 . A 176 GLN H A 176 GLN N A 176-1 . CB 136 271 . . -565.0210571 . 8.491976632 . 125.016212 . 26.8419549 . A 176 GLN H A 176 GLN N A 176 GLN CB 137 272 . . 82.96294403 . 8.246607925 . 123.9900479 . 66.58982089 . . . . . . . . . . . . . 138 273 . . 305.9740906 . 8.263673747 . 124.1776776 . 59.18747986 . A 123 VAL H A 123 VAL N A 123 VAL CA 139 274 . . 155.6537628 . 8.267038524 . 124.1467838 . 52.90473952 . A 123 VAL H A 123 VAL N A 123-1 . CA 140 277 . . -268.8827515 . 8.26241438 . 124.1767129 . 31.15170754 . A 123 VAL H A 123 VAL N A 123 VAL CB 141 278 . . -215.6273956 . 8.266293463 . 124.1333226 . 31.78960868 . A 123 VAL H A 123 VAL N A 123-1 . CB 142 279 . . -224.5714264 . 8.250906017 . 123.392241 . 66.7217838 . A 175 ASP H A 175 ASP N A 175-1 . CB 143 280 . . 198.6415253 . 8.255363851 . 123.3995804 . 56.44084219 . A 175 ASP H A 175 ASP N A 175-1 . CA 144 281 . . 507.1382141 . 8.254209848 . 123.4125674 . 50.83917787 . A 175 ASP H A 175 ASP N A 175 ASP CA 145 282 . . -644.4486694 . 8.255063239 . 123.4063347 . 38.35170009 . A 175 ASP H A 175 ASP N A 175 ASP CB 146 287 . . 107.0845871 . 8.530900484 . 123.3853619 . 58.7106717 . A 70 LEU H A 70 LEU N A 70-1 . CA 147 288 . . 203.0761108 . 8.540504222 . 123.4156624 . 50.68398824 . A 70 LEU H A 70 LEU N A 70 LEU CA 148 290 . . -192.4938049 . 8.52999497 . 123.3940663 . 42.46112699 . A 70 LEU H A 70 LEU N A 70 LEU CB 149 291 . . -87.47293091 . 8.539259796 . 123.400857 . 35.65475903 . A 70 LEU H A 70 LEU N A 70-1 . CB 150 294 . . 226.6570282 . 9.076168723 . 125.8838609 . 54.06666069 . A 125 PHE H A 125 PHE N A 125-1 . CA 151 295 . . 381.3944397 . 9.078896075 . 125.8527291 . 53.31610497 . A 125 PHE H A 125 PHE N A 125 PHE CA 152 296 . . -203.9863892 . 9.073134212 . 125.8223972 . 40.25807362 . A 125 PHE H A 125 PHE N A 125-1 . CB 153 297 . . -302.3620911 . 9.079805691 . 125.8633688 . 39.25535132 . A 125 PHE H A 125 PHE N A 125 PHE CB 154 298 . . 201.5027618 . 9.04669331 . 125.1735627 . 56.11597062 . A 109 ASN H A 109 ASN N A 109-1 . CA 155 299 . . 493.5895386 . 9.050595125 . 125.1848738 . 50.50436376 . A 109 ASN H A 109 ASN N A 109 ASN CA 156 300 . . -417.224762 . 9.051112472 . 125.1730501 . 41.73683893 . A 109 ASN H A 109 ASN N A 109 ASN CB 157 301 . . -175.4511566 . 9.048878079 . 125.1151959 . 39.07078867 . A 109 ASN H A 109 ASN N A 109-1 . CB 158 313 . . 253.483963 . 8.682546981 . 126.6423498 . 51.57013129 . A 127 LYS H A 127 LYS N A 127 LYS CA 159 314 . . -176.5780792 . 8.682410125 . 126.6766286 . 31.72066458 . A 127 LYS H A 127 LYS N A 127 LYS CB 160 315 . . 260.7685852 . 8.727359353 . 126.3300055 . 57.56792417 . A 8 ILE H A 8 ILE N A 8 ILE CA 161 316 . . 154.8075409 . 8.729499029 . 126.3637022 . 51.68991256 . A 8 ILE H A 8 ILE N A 8-1 . CA 162 317 . . -131.8474274 . 8.718884587 . 126.32331 . 40.5508534 . A 8 ILE H A 8 ILE N A 8-1 . CB 163 318 . . -237.3382263 . 8.727754908 . 126.3471808 . 36.62896028 . A 8 ILE H A 8 ILE N A 8 ILE CB 164 320 . . -320.2132874 . 8.696800663 . 125.8947899 . 60.96653332 . A 13 LEU H A 13 LEU N A 13-1 . CB 165 321 . . 553.3010254 . 8.698212176 . 125.8966954 . 54.90952099 . A 13 LEU H A 13 LEU N A 13 LEU CA 166 322 . . -377.3262329 . 8.697527592 . 125.8977681 . 37.97841163 . A 13 LEU H A 13 LEU N A 13 LEU CB 167 324 . . 294.4108887 . 8.69708125 . 125.8623879 . 54.50338507 . A 13 LEU H A 13 LEU N A 13-1 . CA 168 325 . . 719.8399658 . 8.831484801 . 125.7255582 . 56.01438504 . A 108 TYR H A 108 TYR N A 108 TYR CA 169 326 . . 290.7933044 . 8.892289042 . 125.2619375 . 54.82372425 . A 57 GLU H A 57 GLU N A 57-1 . CA 170 327 . . 442.9526367 . 8.888646026 . 125.2741614 . 52.48832852 . A 57 GLU H A 57 GLU N A 57 GLU CA 171 328 . . -300.5746155 . 8.883828863 . 125.2783167 . 36.05464088 . A 57 GLU H A 57 GLU N A 57-1 . CB 172 329 . . -497.7021484 . 8.890781412 . 125.2922948 . 28.67769787 . A 57 GLU H A 57 GLU N A 57 GLU CB 173 331 . . 223.715744 . 8.747910304 . 124.8662612 . 60.24286186 . A 106 GLN H A 106 GLN N A 106-1 . CA 174 332 . . 291.8682861 . 8.751365992 . 124.8694356 . 54.76882547 . A 106 GLN H A 106 GLN N A 106 GLN CA 175 334 . . -173.4578705 . 8.752326961 . 124.8848174 . 29.93412065 . A 106 GLN H A 106 GLN N A 106-1 . CB 176 335 . . -272.0719299 . 8.747398109 . 124.901585 . 27.73781497 . A 106 GLN H A 106 GLN N A 106 GLN CB 177 336 . . 459.4354858 . 8.934699058 . 124.7209851 . 46.66020505 . A 37 ALA H A 37 ALA N A 37 ALA CA 178 337 . . -178.3330231 . 8.936256678 . 124.7065241 . 44.84288308 . A 37 ALA H A 37 ALA N A 37-1 . CB 179 338 . . -563.1068726 . 8.937479973 . 124.712206 . 21.89780519 . A 37 ALA H A 37 ALA N A 37 ALA CB 180 339 . . 146.0926971 . 8.93837426 . 124.7264307 . 52.0259337 . A 37 ALA H A 37 ALA N A 37-1 . CA 181 340 . . -234.2351074 . 8.803324229 . 123.8222748 . 65.79765057 . A 50 THR H A 50 THR N A 50 THR CB 182 341 . . 207.5177612 . 8.801033717 . 123.8384879 . 61.31131951 . A 50 THR H A 50 THR N A 50 THR CA 183 342 . . 130.3783264 . 8.799305675 . 123.8279072 . 52.37725302 . A 50 THR H A 50 THR N A 50-1 . CA 184 343 . . -119.6923828 . 8.800097093 . 123.7547723 . 37.08369348 . A 50 THR H A 50 THR N A 50-1 . CB 185 344 . . 798.4431763 . 8.153562232 . 123.0683529 . 60.07606246 . A 10 ALA H A 10 ALA N A 10-1 . CA 186 345 . . 1102.467163 . 8.153776347 . 123.0673048 . 46.54351661 . A 10 ALA H A 10 ALA N A 10 ALA CA 187 346 . . -483.5465088 . 8.15336436 . 123.0567002 . 29.64544139 . A 10 ALA H A 10 ALA N A 10-1 . CB 188 347 . . -1261.736206 . 8.153547299 . 123.0616438 . 15.44048054 . A 10 ALA H A 10 ALA N A 10 ALA CB 189 349 . . 2072.949951 . 8.0509042 . 123.0629316 . 51.58693607 . A 7 LEU H A 7 LEU N A 7 LEU CA 190 350 . . 1166.735474 . 8.050694375 . 123.0550546 . 50.51099332 . A 7 LEU H A 7 LEU N A 7-1 . CA 191 351 . . -1742.747314 . 8.050198233 . 123.0555181 . 40.49809795 . A 7 LEU H A 7 LEU N A 7 LEU CB 192 352 . . -1622.529419 . 8.050529116 . 123.0484005 . 36.32246139 . A 7 LEU H A 7 LEU N A 7-1 . CB 193 354 . . 255.6906586 . 7.42759847 . 128.3224866 . 57.26936858 . A 23 ARG H A 23 ARG N A 23-1 . CA 194 355 . . 239.1954193 . 7.425917232 . 128.3340231 . 49.43593832 . A 23 ARG H A 23 ARG N A 23 ARG CA 195 356 . . -178.3505554 . 7.426936497 . 128.3308434 . 36.66629628 . A 23 ARG H A 23 ARG N A 23-1 . CB 196 357 . . -228.6051636 . 7.429206099 . 128.3376493 . 26.82123574 . A 23 ARG H A 23 ARG N A 23 ARG CB 197 358 . . -386.4336548 . 6.899684586 . 125.044718 . 66.72695755 . A 16 VAL H A 16 VAL N A 16-1 . CB 198 360 . . 272.867218 . 6.900024336 . 125.0243725 . 59.57577968 . A 16 VAL H A 16 VAL N A 16-1 . CA 199 362 . . 1756.271362 . 6.900822137 . 125.0373384 . 57.41701852 . A 16 VAL H A 16 VAL N A 16 VAL CA 200 363 . . -1492.707275 . 6.900811078 . 125.0328309 . 29.98687432 . A 16 VAL H A 16 VAL N A 16 VAL CB 201 364 . . 1070.716675 . 7.483013259 . 124.5333593 . 52.66014395 . '#172' @64 . H '#172' @64 . N '#172' @64 . CA 202 365 . . -199.3337097 . 7.483543167 . 124.5330798 . 38.12479168 . '#172' @64 . H '#172' @64 . N '#172' @64-1 . CB 203 366 . . -1180.201172 . 7.482784223 . 124.5415259 . 36.95137081 . '#172' @64 . H '#172' @64 . N '#172' @64 . CB 204 367 . . 50.67866135 . 7.482170431 . 124.5306512 . 51.77622534 . '#172' @64 . H '#172' @64 . N '#172' @64-1 . CA 205 368 . . -133.0146637 . 6.936919523 . 123.0482153 . 66.15412999 . A 116 ASP H A 116 ASP N A 116-1 . CB 206 369 . . 209.8092804 . 6.937177846 . 123.05544 . 57.42911245 . A 116 ASP H A 116 ASP N A 116-1 . CA 207 370 . . 239.9167328 . 6.934140216 . 123.0489551 . 50.15642477 . A 116 ASP H A 116 ASP N A 116 ASP CA 208 371 . . -358.5459595 . 6.93446769 . 123.0728846 . 39.34612649 . A 116 ASP H A 116 ASP N A 116 ASP CB 209 372 . . 1101.786865 . 6.804585778 . 122.295698 . 59.98631644 . A 41 VAL H A 41 VAL N A 41 VAL CA 210 373 . . 206.8665009 . 6.804763846 . 122.2899963 . 48.47261213 . A 41 VAL H A 41 VAL N A 41-1 . CA 211 374 . . -827.4735107 . 6.804716454 . 122.2942829 . 29.85833536 . A 41 VAL H A 41 VAL N A 41 VAL CB 212 375 . . -305.0101318 . 6.803730128 . 122.2856016 . 15.96646001 . A 41 VAL H A 41 VAL N A 41-1 . CB 213 376 . . -179.6948547 . 6.968208736 . 120.8167188 . 59.76276666 . A 161 LEU H A 161 LEU N A 161-1 . CB 214 377 . . 168.3557281 . 6.974576545 . 120.8659196 . 58.71748651 . A 161 LEU H A 161 LEU N A 161-1 . CA 215 378 . . 666.7963867 . 6.970416694 . 120.8469427 . 51.51831371 . A 161 LEU H A 161 LEU N A 161 LEU CA 216 379 . . -603.2921753 . 6.971428206 . 120.8338303 . 38.49897147 . A 161 LEU H A 161 LEU N A 161 LEU CB 217 380 . . -189.1375732 . 7.748939977 . 122.5154584 . 68.30499685 . A 96 LEU H A 96 LEU N A 96-1 . CB 218 381 . . 202.2757721 . 7.750040784 . 122.4981053 . 57.48394322 . A 96 LEU H A 96 LEU N A 96-1 . CA 219 382 . . 473.3402405 . 7.750242008 . 122.5086441 . 52.26937595 . A 96 LEU H A 96 LEU N A 96 LEU CA 220 383 . . -422.6465149 . 7.74971687 . 122.5083531 . 40.77600419 . A 96 LEU H A 96 LEU N A 96 LEU CB 221 384 . . 613.6102295 . 7.744847724 . 121.8713596 . 60.84916206 . A 18 LEU H A 18 LEU N A 18-1 . CA 222 385 . . 588.90625 . 7.742994264 . 121.8642279 . 49.72965956 . A 18 LEU H A 18 LEU N A 18 LEU CA 223 386 . . -595.4803467 . 7.744649357 . 121.8811411 . 43.1309342 . A 18 LEU H A 18 LEU N A 18 LEU CB 224 387 . . -352.205719 . 7.744685157 . 121.8591736 . 29.4500198 . A 18 LEU H A 18 LEU N A 18-1 . CB 225 388 . . 263.0568848 . 7.62712525 . 121.7872529 . 57.37278537 . A 150 LEU H A 150 LEU N A 150-1 . CA 226 389 . . 690.0736694 . 7.628740797 . 121.7891672 . 54.75393939 . A 150 LEU H A 150 LEU N A 150 LEU CA 227 390 . . -607.0655518 . 7.628068509 . 121.7789485 . 39.38565684 . A 150 LEU H A 150 LEU N A 150 LEU CB 228 391 . . -181.8789062 . 7.625215559 . 121.7640661 . 26.0506607 . A 150 LEU H A 150 LEU N A 150-1 . CB 229 393 . . 182.1262207 . 7.605921348 . 119.4733364 . 53.92305847 . A 136 LYS H A 136 LYS N A 136-1 . CA 230 394 . . 517.598938 . 7.607205638 . 119.444832 . 51.60999633 . A 136 LYS H A 136 LYS N A 136 LYS CA 231 396 . . -563.7030029 . 7.631528141 . 119.2062094 . 28.67251808 . A 151 LYS H A 151 LYS N A 151 LYS CB 232 398 . . 704.8570557 . 7.633068283 . 119.2215869 . 58.67591843 . A 151 LYS H A 151 LYS N A 151 LYS CA 233 400 . . 215.4475098 . 7.630296292 . 119.2188702 . 54.67875728 . A 151 LYS H A 151 LYS N A 151-1 . CA 234 401 . . -220.5516357 . 7.63560833 . 119.2041884 . 39.45508283 . A 151 LYS H A 151 LYS N A 151-1 . CB 235 407 . . -554.7109375 . 7.607516022 . 119.4591272 . 34.63724014 . A 136 LYS H A 136 LYS N A 136 LYS CB 236 409 . . -143.4430389 . 7.602510339 . 119.4912195 . 26.69181619 . A 136 LYS H A 136 LYS N A 136-1 . CB 237 410 . . -609.9431152 . 7.420317065 . 118.6744537 . 60.38291483 . A 90 ARG H A 90 ARG N A 90-1 . CB 238 411 . . 452.0775146 . 7.419807006 . 118.7071158 . 58.82304216 . A 90 ARG H A 90 ARG N A 90-1 . CA 239 412 . . 2916.952881 . 7.420406171 . 118.6755793 . 51.4131554 . A 90 ARG H A 90 ARG N A 90 ARG CA 240 414 . . -2545.651367 . 7.420462328 . 118.681575 . 30.11095299 . A 90 ARG H A 90 ARG N A 90 ARG CB 241 415 . . 854.0253906 . 7.556189199 . 118.2863946 . 51.16468125 . A 93 GLN H A 93 GLN N A 93 GLN CA 242 417 . . 241.7606659 . 7.554085216 . 118.290215 . 41.6104442 . A 93 GLN H A 93 GLN N A 93-1 . CA 243 418 . . -795.8748779 . 7.556437709 . 118.2796565 . 29.2163995 . A 93 GLN H A 93 GLN N A 93 GLN CB 244 419 . . 345.4832458 . 7.752973349 . 118.2598676 . 61.25065567 . A 88 SER H A 88 SER N A 88-1 . CA 245 420 . . -849.4400024 . 7.751101778 . 118.2540475 . 60.54478145 . A 88 SER H A 88 SER N A 88 SER CB 246 421 . . 558.2034302 . 7.752720291 . 118.2593249 . 52.24493035 . A 88 SER H A 88 SER N A 88 SER CA 247 422 . . -254.1281738 . 7.754869646 . 118.242805 . 29.98332328 . A 88 SER H A 88 SER N A 88-1 . CB 248 423 . . 907.6231079 . 7.023296657 . 118.4384043 . 58.62466286 . A 168 ILE H A 168 ILE N A 168 ILE CA 249 424 . . 255.3972473 . 7.024366337 . 118.4291841 . 50.57078104 . A 168 ILE H A 168 ILE N A 168-1 . CA 250 425 . . -286.5592346 . 7.026088762 . 118.4403964 . 39.85454587 . A 168 ILE H A 168 ILE N A 168-1 . CB 251 426 . . -790.2893677 . 7.02392809 . 118.434415 . 37.87321574 . A 168 ILE H A 168 ILE N A 168 ILE CB 252 427 . . 865.0767212 . 6.887255294 . 117.9047714 . 53.88040665 . A 26 GLN H A 26 GLN N A 26 GLN CA 253 428 . . 184.8761902 . 6.890933684 . 117.919991 . 53.15916489 . A 26 GLN H A 26 GLN N A 26-1 . CA 254 429 . . -275.4113159 . 6.888256932 . 117.9005164 . 35.78034117 . A 26 GLN H A 26 GLN N A 26-1 . CB 255 430 . . -702.4219971 . 6.886520679 . 117.9027588 . 26.22709211 . A 26 GLN H A 26 GLN N A 26 GLN CB 256 431 . . 848.5514526 . 6.953387971 . 116.4275731 . 51.46044648 . A 163 LEU H A 163 LEU N A 163 LEU CA 257 433 . . 141.9124908 . 6.952434703 . 116.4330138 . 42.2386538 . A 163 LEU H A 163 LEU N A 163-1 . CA 258 435 . . -605.0393677 . 6.953982445 . 116.4095693 . 38.57621011 . A 163 LEU H A 163 LEU N A 163 LEU CB 259 442 . . 115.9959412 . 6.504743785 . 117.8332651 . 56.3086296 . A 52 TYR H A 52 TYR N A 52-1 . CA 260 444 . . 253.7378387 . 6.507720296 . 117.880289 . 51.71324846 . A 52 TYR H A 52 TYR N A 52 TYR CA 261 450 . . -215.304306 . 6.509614066 . 117.8253534 . 38.27176238 . A 52 TYR H A 52 TYR N A 52 TYR CB 262 452 . . -93.58340454 . 6.505853525 . 117.8530286 . 32.65808467 . A 52 TYR H A 52 TYR N A 52-1 . CB 263 460 . . -1061.181763 . 7.013125311 . 106.6804637 . 66.13055 . A 114 THR H A 114 THR N A 114 THR CB 264 461 . . 965.1324463 . 7.01366583 . 106.6720275 . 57.11189154 . A 114 THR H A 114 THR N A 114 THR CA 265 463 . . 286.4251404 . 7.010436374 . 106.693042 . 51.10287101 . A 114 THR H A 114 THR N A 114-1 . CA 266 464 . . -328.9074097 . 7.013570078 . 106.7133331 . 17.30369036 . A 114 THR H A 114 THR N A 114-1 . CB 267 465 . . -1021.429321 . 7.805187871 . 109.1234351 . 67.98340348 . A 143 THR H A 143 THR N A 143 THR CB 268 466 . . 845.8496704 . 7.805530281 . 109.1158066 . 56.35968381 . A 143 THR H A 143 THR N A 143 THR CA 269 468 . . -107.7826767 . 7.810379836 . 109.1360628 . 28.13345133 . A 143 THR H A 143 THR N A 143-1 . CB 270 469 . . 75.32859039 . 7.817635372 . 109.1281058 . 53.26395457 . A 143 THR H A 143 THR N A 143-1 . CA 271 470 . . 128.8244934 . 7.933179152 . 106.6226649 . 46.75316204 . A 38 GLY H A 38 GLY N A 38-1 . CA 272 471 . . 550.4776001 . 7.936286504 . 106.6555827 . 44.65079238 . A 38 GLY H A 38 GLY N A 38 GLY CA 273 472 . . -93.24552917 . 7.935723643 . 106.7322244 . 21.8483484 . A 38 GLY H A 38 GLY N A 38-1 . CB 274 473 . . 774.3150635 . 8.017851709 . 106.4926175 . 42.81260986 . A 35 GLY H A 35 GLY N A 35 GLY CA 275 475 . . 79.42955017 . 8.019149932 . 106.4933751 . 61.44111741 . A 35 GLY H A 35 GLY N A 35-1 . CA 276 476 . . 234.043335 . 7.596238325 . 104.7918238 . 51.47715998 . A 162 GLY H A 162 GLY N A 162-1 . CA 277 477 . . 855.4337158 . 7.595564312 . 104.802027 . 42.1620953 . A 162 GLY H A 162 GLY N A 162 GLY CA 278 478 . . -175.6582489 . 7.592516534 . 104.7683557 . 38.54940909 . A 162 GLY H A 162 GLY N A 162-1 . CB 279 479 . . 1040.828491 . 8.26624544 . 108.6040863 . 54.4924746 . A 47 GLY H A 47 GLY N A 47-1 . CA 280 480 . . 4849.921875 . 8.266802209 . 108.6008074 . 43.36126477 . A 47 GLY H A 47 GLY N A 47 GLY CA 281 483 . . -1015.326599 . 8.267098041 . 108.6091268 . 27.86175046 . A 47 GLY H A 47 GLY N A 47-1 . CB 282 485 . . 276.1536865 . 8.167228378 . 107.5028883 . 53.89733135 . A 77 GLY H A 77 GLY N A 77-1 . CA 283 487 . . 2064.790527 . 8.164610501 . 107.4832172 . 41.90704708 . A 77 GLY H A 77 GLY N A 77 GLY CA 284 488 . . -240.936554 . 8.167132996 . 107.4805065 . 25.91288261 . A 77 GLY H A 77 GLY N A 77-1 . CB 285 489 . . 584.4116821 . 8.216059132 . 111.9592096 . 52.83935856 . A 62 ASN H A 62 ASN N A 62 ASN CA 286 490 . . 177.348999 . 8.218345988 . 111.8732878 . 50.15356103 . A 62 ASN H A 62 ASN N A 62-1 . CA 287 491 . . -1319.788574 . 8.216212688 . 111.9380127 . 34.70075073 . A 62 ASN H A 62 ASN N A 62 ASN CB 288 493 . . 291.7574463 . 8.277768236 . 111.412695 . 50.57948323 . A 92 GLY H A 92 GLY N A 92-1 . CA 289 494 . . 229.7617493 . 8.274660659 . 111.4556849 . 41.61902647 . A 92 GLY H A 92 GLY N A 92 GLY CA 290 495 . . 109.9532852 . 8.283005989 . 111.7034935 . 39.91518018 . . . . . . . . . . . . . 291 499 . . -246.8589935 . 8.27499305 . 111.432649 . 15.72654665 . A 92 GLY H A 92 GLY N A 92-1 . CB 292 500 . . 295.8135071 . 8.026496625 . 112.4982315 . 56.06453428 . A 166 ASP H A 166 ASP N A 166-1 . CA 293 501 . . 1069.053711 . 8.027402163 . 112.5003508 . 52.81817405 . A 166 ASP H A 166 ASP N A 166 ASP CA 294 504 . . 832.1599731 . 8.628290378 . 116.1146734 . 54.99915157 . A 74 GLN H A 74 GLN N A 74 GLN CA 295 505 . . 364.3150635 . 8.628348432 . 116.1062155 . 52.99998571 . A 74 GLN H A 74 GLN N A 74-1 . CA 296 506 . . -348.7684021 . 8.629026426 . 116.1336215 . 38.58311888 . A 74 GLN H A 74 GLN N A 74-1 . CB 297 507 . . -878.8968506 . 8.629301542 . 116.1128627 . 25.18601897 . A 74 GLN H A 74 GLN N A 74 GLN CB 298 508 . . -473.8028564 . 8.512191556 . 115.8850466 . 68.75139146 . A 128 THR H A 128 THR N A 128 THR CB 299 513 . . 415.2816162 . 8.511421999 . 115.9096499 . 58.95754753 . A 128 THR H A 128 THR N A 128 THR CA 300 518 . . 146.7019653 . 8.511574356 . 115.8337434 . 51.57583013 . A 128 THR H A 128 THR N A 128-1 . CA 301 519 . . -128.7435455 . 8.520626847 . 115.8481578 . 31.70654277 . A 128 THR H A 128 THR N A 128-1 . CB 302 522 . . 362.1328125 . 8.757703615 . 115.2616904 . 62.06336169 . @- @108 . H @- @108 . N @- @108-1 . CA 303 523 . . 643.3786621 . 8.757821908 . 115.2555224 . 54.05897513 . @- @108 . H @- @108 . N @- @108 . CA 304 524 . . -189.6486816 . 8.756914945 . 115.2757399 . 29.2812811 . @- @108 . H @- @108 . N @- @108-1 . CB 305 525 . . -579.746582 . 8.758803999 . 115.2698881 . 25.34275144 . @- @108 . H @- @108 . N @- @108 . CB 306 526 . . -299.6151733 . 8.589342793 . 114.507018 . 64.92549756 . A 53 SER H A 53 SER N A 53 SER CB 307 527 . . 245.3243408 . 8.591105093 . 114.4770523 . 52.63097855 . A 53 SER H A 53 SER N A 53 SER CA 308 529 . . 180.7692871 . 8.715998214 . 117.4836717 . 54.1467389 . A 135 PHE H A 135 PHE N A 135-1 . CA 309 530 . . 436.5010071 . 8.716280265 . 117.5072022 . 53.25636558 . A 135 PHE H A 135 PHE N A 135 PHE CA 310 531 . . -330.8284607 . 8.713532636 . 117.5076871 . 39.63308036 . A 135 PHE H A 135 PHE N A 135 PHE CB 311 532 . . -90.13526917 . 8.714151686 . 117.447599 . 38.6297513 . A 135 PHE H A 135 PHE N A 135-1 . CB 312 533 . . -1315.000977 . 8.177752758 . 114.359381 . 60.95253948 . A 12 SER H A 12 SER N A 12 SER CB 313 534 . . 652.5950317 . 8.181083993 . 114.3408083 . 59.14930801 . A 12 SER H A 12 SER N A 12-1 . CA 314 535 . . 996.1497803 . 8.179589072 . 114.3728097 . 54.48650728 . A 12 SER H A 12 SER N A 12 SER CA 315 536 . . -380.59375 . 8.179172202 . 114.3091466 . 28.88036114 . A 12 SER H A 12 SER N A 12-1 . CB 316 538 . . -5267.448242 . 8.125625764 . 113.9355546 . 61.55413062 . A 48 SER H A 48 SER N A 48 SER CB 317 539 . . 3668.916992 . 8.125689107 . 113.9360649 . 55.1987399 . A 48 SER H A 48 SER N A 48 SER CA 318 541 . . 2171.055176 . 8.125634357 . 113.9287003 . 43.36946938 . A 48 SER H A 48 SER N A 48-1 . CA 319 543 . . 114.3216934 . 7.941975618 . 114.8153635 . 56.21958609 . A 61 ASN H A 61 ASN N A 61-1 . CA 320 544 . . 211.2243042 . 7.947080659 . 114.8493704 . 50.13016965 . A 61 ASN H A 61 ASN N A 61 ASN CA 321 545 . . -135.0148468 . 7.947146374 . 114.842615 . 26.71582149 . A 61 ASN H A 61 ASN N A 61-1 . CB 322 546 . . -319.5345459 . 7.944528012 . 114.8527014 . 34.41828993 . A 61 ASN H A 61 ASN N A 61 ASN CB 323 547 . . 213.0831909 . 7.966657002 . 113.7350695 . 52.85441109 . A 167 ASN H A 167 ASN N A 167-1 . CA 324 548 . . 515.2763672 . 7.965089479 . 113.8016189 . 50.58534315 . A 167 ASN H A 167 ASN N A 167 ASN CA 325 549 . . -497.5309753 . 7.964580069 . 113.7662847 . 39.91988924 . A 167 ASN H A 167 ASN N A 167 ASN CB 326 550 . . -238.8424988 . 7.964268054 . 113.7150616 . 37.94175577 . A 167 ASN H A 167 ASN N A 167-1 . CB 327 551 . . -318.9525452 . 7.740373252 . 113.9693454 . 67.95918184 . A 144 LYS H A 144 LYS N A 144-1 . CB 328 552 . . 279.3917847 . 7.740104616 . 113.9966121 . 56.3219612 . A 144 LYS H A 144 LYS N A 144-1 . CA 329 553 . . 440.5943298 . 7.741775507 . 113.9982209 . 55.28766348 . A 144 LYS H A 144 LYS N A 144 LYS CA 330 554 . . -353.8126831 . 7.741818973 . 113.9583067 . 30.19225814 . A 144 LYS H A 144 LYS N A 144 LYS CB 331 555 . . -450.1129456 . 7.794424824 . 116.7043203 . 62.17023376 . A 171 SER H A 171 SER N A 171 SER CB 332 557 . . 298.1991882 . 7.792964989 . 116.7010307 . 53.82050437 . A 171 SER H A 171 SER N A 171 SER CA 333 558 . . 130.1906128 . 7.787913108 . 116.6472868 . 55.04493661 . A 171 SER H A 171 SER N A 171-1 . CA 334 559 . . -94.95035553 . 7.787639222 . 116.6472868 . 38.72139924 . A 171 SER H A 171 SER N A 171-1 . CB 335 560 . . 1384.090942 . 7.838556667 . 116.0927345 . 57.28659129 . A 22 PHE H A 22 PHE N A 22 PHE CA 336 561 . . 192.9451141 . 7.836604758 . 116.0804701 . 51.57348365 . A 22 PHE H A 22 PHE N A 22-1 . CA 337 563 . . 360.2575989 . 7.756927917 . 115.369419 . 53.79260797 . A 76 GLN H A 76 GLN N A 76 GLN CA 338 565 . . 104.773941 . 7.758894779 . 115.3227798 . 51.59635956 . A 76 GLN H A 76 GLN N A 76-1 . CA 339 566 . . -127.6223221 . 7.753747209 . 115.379729 . 38.27362381 . A 76 GLN H A 76 GLN N A 76-1 . CB 340 567 . . -368.733551 . 7.755092071 . 115.3662496 . 25.84908923 . A 76 GLN H A 76 GLN N A 76 GLN CB 341 568 . . 120.6664429 . 8.026541142 . 116.0097065 . 55.04430021 . A 75 ASP H A 75 ASP N A 75-1 . CA 342 569 . . 301.6540833 . 8.00752757 . 115.9902012 . 51.60467156 . A 75 ASP H A 75 ASP N A 75 ASP CA 343 570 . . -383.631897 . 8.005933015 . 115.9951841 . 38.17061152 . A 75 ASP H A 75 ASP N A 75 ASP CB 344 571 . . -162.1027679 . 8.013836969 . 115.9387382 . 25.2114812 . A 75 ASP H A 75 ASP N A 75-1 . CB 345 572 . . 348.667511 . 7.521071193 . 115.8548799 . 51.79733143 . A 39 ASN H A 39 ASN N A 39 ASN CA 346 573 . . 323.2044373 . 7.517960232 . 115.8516367 . 44.59863294 . A 39 ASN H A 39 ASN N A 39-1 . CA 347 574 . . -467.1369629 . 7.520815303 . 115.8504974 . 34.6296226 . A 39 ASN H A 39 ASN N A 39 ASN CB 348 575 . . 542.7719727 . 7.598194633 . 115.1783282 . 55.00161707 . A 14 LEU H A 14 LEU N A 14-1 . CA 349 576 . . 1647.110718 . 7.597824072 . 115.1829482 . 53.81848544 . A 14 LEU H A 14 LEU N A 14 LEU CA 350 578 . . -1504.078247 . 7.598276659 . 115.1834682 . 39.03010925 . A 14 LEU H A 14 LEU N A 14 LEU CB 351 579 . . -370.2779236 . 7.596965832 . 115.1761489 . 38.0217257 . A 14 LEU H A 14 LEU N A 14-1 . CB 352 580 . . 328.1836243 . 7.256092035 . 113.6340573 . 55.24832555 . A 145 GLU H A 145 GLU N A 145-1 . CA 353 581 . . 2013.271851 . 7.255966383 . 113.6487087 . 51.72966664 . A 145 GLU H A 145 GLU N A 145 GLU CA 354 582 . . -1949.056396 . 7.25598272 . 113.6455447 . 29.72163834 . A 145 GLU H A 145 GLU N A 145-1 . CB 355 591 . . -993.2397461 . 7.754376606 . 112.1585074 . 66.54726303 . A 45 THR H A 45 THR N A 45 THR CB 356 592 . . 778.2807007 . 7.754616768 . 112.1632178 . 60.50313104 . A 45 THR H A 45 THR N A 45 THR CA 357 593 . . 283.3355103 . 7.754938192 . 112.1780396 . 54.97773706 . A 45 THR H A 45 THR N A 45-1 . CA 358 594 . . -287.9276733 . 7.753645351 . 112.1617579 . 29.95216579 . A 45 THR H A 45 THR N A 45-1 . CB 359 595 . . -1552.530396 . 7.794408858 . 111.9370218 . 62.1933513 . A 107 SER H A 107 SER N A 107 SER CB 360 596 . . 1112.823364 . 7.794231578 . 111.9405494 . 55.68333922 . A 107 SER H A 107 SER N A 107 SER CA 361 597 . . -150.4408569 . 7.7963858 . 111.9444641 . 27.69216696 . A 107 SER H A 107 SER N A 107-1 . CB 362 598 . . -1324.243042 . 7.370891953 . 110.8465802 . 66.6997961 . A 15 THR H A 15 THR N A 15 THR CB 363 599 . . 1091.58606 . 7.371024017 . 110.8413274 . 59.63455704 . A 15 THR H A 15 THR N A 15 THR CA 364 601 . . 311.0429077 . 7.371897388 . 110.8348161 . 53.85535429 . A 15 THR H A 15 THR N A 15-1 . CA 365 602 . . -390.6297607 . 7.372141853 . 110.8252208 . 39.02444263 . A 15 THR H A 15 THR N A 15-1 . CB 366 606 . . -1209.536377 . 7.43519969 . 110.7526484 . 62.64354503 . A 63 SER H A 63 SER N A 63 SER CB 367 608 . . 979.4921265 . 7.434593354 . 110.7522822 . 55.65354112 . A 63 SER H A 63 SER N A 63 SER CA 368 610 . . -196.4151154 . 7.434569794 . 110.7033966 . 34.56122934 . A 63 SER H A 63 SER N A 63-1 . CB 369 614 . . -523.0095825 . 8.175867709 . 119.6076689 . 59.72385292 . A 160 SER H A 160 SER N A 160 SER CB 370 615 . . 435.1575928 . 8.176296438 . 119.6545159 . 58.7392903 . A 160 SER H A 160 SER N A 160 SER CA 371 616 . . 147.868927 . 8.177671819 . 119.5819171 . 56.49994619 . A 160 SER H A 160 SER N A 160-1 . CA 372 617 . . -169.0481262 . 8.172958497 . 119.6237362 . 29.15312876 . A 160 SER H A 160 SER N A 160-1 . CB 373 619 . . 271.7514954 . 8.011257575 . 118.4486828 . 52.61308734 . A 133 GLN H A 133 GLN N A 133-1 . CA 374 620 . . -213.4150391 . 8.009180727 . 118.4141698 . 32.3612688 . A 133 GLN H A 133 GLN N A 133-1 . CB 375 621 . . -14366.93555 . 8.28392537 . 116.4758614 . 61.02525967 . @- @178 . H @- @178 . N @- @178 . CB 376 622 . . 9482.199219 . 8.284027941 . 116.4786386 . 55.98471559 . @- @178 . H @- @178 . N @- @178 . CA 377 623 . . 3962.250488 . 8.284058127 . 116.4797185 . 51.82195065 . @- @178 . H @- @178 . N @- @178-1 . CA 378 624 . . -4505.216797 . 8.28388621 . 116.486244 . 38.59522892 . @- @178 . H @- @178 . N @- @178-1 . CB 379 626 . . 884.1522217 . 8.336732127 . 116.3145374 . 56.25558956 . A 79 ARG H A 79 ARG N A 79 ARG CA 380 628 . . 583.0426025 . 8.341567195 . 116.2360392 . 51.64633361 . A 79 ARG H A 79 ARG N A 79-1 . CA 381 630 . . -389.8779297 . 8.335035193 . 116.2981949 . 34.38830958 . A 79 ARG H A 79 ARG N A 79-1 . CB 382 631 . . -21804.81445 . 8.207443511 . 115.8610642 . 61.08427687 . '#170' 701 SER H '#170' 701 SER N '#170' 701 SER CB 383 632 . . 14388.76367 . 8.207455688 . 115.8578522 . 55.76797794 . '#170' 701 SER H '#170' 701 SER N '#170' 701 SER CA 384 633 . . 5996.482422 . 8.207380327 . 115.8636034 . 51.83731282 . '#170' 701 SER H '#170' 701 SER N '#170' 701-1 . CA 385 634 . . -6723.353516 . 8.207296683 . 115.8684068 . 38.62896019 . '#170' 701 SER H '#170' 701 SER N '#170' 701-1 . CB 386 635 . . -3795.544189 . 8.238839113 . 115.916962 . 67.05970328 . . . . . . . . . . . . . 387 636 . . -1940.009033 . 8.253870398 . 115.7892199 . 60.45412798 . A 89 SER H A 89 SER N A 89-1 . CB 388 637 . . 3089.13916 . 8.238282721 . 115.9303702 . 59.49680848 . . . . . . . . . . . . . 389 639 . . 297.7378235 . 8.250838859 . 115.7532668 . 52.24861741 . A 89 SER H A 89 SER N A 89-1 . CA 390 640 . . 879.3174438 . 8.250927928 . 115.7542364 . 58.79784963 . A 89 SER H A 89 SER N A 89 SER CA 391 643 . . 165.3008575 . 8.320895903 . 115.4602681 . 56.29791205 . '#173' @183 . H '#173' @183 . N '#173' @183-1 . CA 392 644 . . 329.9753113 . 8.315132515 . 115.5085158 . 55.31037383 . '#173' @183 . H '#173' @183 . N '#173' @183 . CA 393 646 . . -264.5145874 . 8.314644981 . 115.5489821 . 26.3073341 . '#173' @183 . H '#173' @183 . N '#173' @183 . CB 394 647 . . 8166.735352 . 8.184074892 . 115.4244234 . 59.72455447 . A 4 THR H A 4 THR N A 4 THR CA 395 648 . . -10440.4541 . 8.184643729 . 115.4244234 . 66.86378351 . A 4 THR H A 4 THR N A 4 THR CB 396 649 . . -2885.950928 . 8.182014775 . 115.4244234 . 60.99371518 . A 4 THR H A 4 THR N A 4-1 . CB 397 650 . . 2154.562988 . 8.182453138 . 115.4244234 . 55.97339655 . A 4 THR H A 4 THR N A 4-1 . CA 398 651 . . 10263.55859 . 8.610466718 . 119.0826016 . 61.06166586 . '#170' @189 . H '#170' @189 . N '#170' @189-1 . CA 399 652 . . 18575.16016 . 8.61002235 . 119.0777853 . 53.30695712 . '#170' @189 . H '#170' @189 . N '#170' @189 . CA 400 653 . . -7828.600098 . 8.610343501 . 119.0809351 . 29.50675764 . '#170' @189 . H '#170' @189 . N '#170' @189-1 . CB 401 654 . . -17846.48242 . 8.610131292 . 119.0787396 . 26.28566991 . '#170' @189 . H '#170' @189 . N '#170' @189 . CB 402 655 . . -479.3053894 . 8.383135657 . 117.8800256 . 65.7103922 . A 155 THR H A 155 THR N A 155 THR CB 403 656 . . 300.3991699 . 8.377847704 . 117.8972898 . 64.77011955 . A 155 THR H A 155 THR N A 155 THR CA 404 661 . . -277.179718 . 8.395270581 . 117.8721484 . 37.68033572 . A 155 THR H A 155 THR N A 155-1 . CB 405 662 . . 537.7832031 . 8.485770628 . 117.3516293 . 62.70754335 . A 149 GLU H A 149 GLU N A 149-1 . CA 406 663 . . 1399.997803 . 8.486229914 . 117.358928 . 57.33555318 . A 149 GLU H A 149 GLU N A 149 GLU CA 407 664 . . -332.1730957 . 8.483712173 . 117.3256687 . 28.9827112 . A 149 GLU H A 149 GLU N A 149-1 . CB 408 665 . . -1100.692261 . 8.4866023 . 117.3466791 . 26.06197605 . A 149 GLU H A 149 GLU N A 149 GLU CB 409 666 . . -656.6358032 . 8.395712501 . 117.0719993 . 61.01714097 . A 3 SER H A 3 SER N A 3 SER CB 410 667 . . 403.9613953 . 8.394632537 . 117.0642832 . 55.9993144 . A 3 SER H A 3 SER N A 3 SER CA 411 668 . . 178.1305542 . 8.394597628 . 117.052022 . 51.61469107 . A 3 SER H A 3 SER N A 3-1 . CA 412 669 . . -235.1361847 . 8.395049899 . 117.0427031 . 38.64411295 . A 3 SER H A 3 SER N A 3-1 . CB 413 671 . . 903.3922119 . 8.479602459 . 119.1830508 . 56.0664682 . A 165 ASP H A 165 ASP N A 165 ASP CA 414 672 . . 481.6872864 . 8.480805471 . 119.1584022 . 50.93919576 . A 165 ASP H A 165 ASP N A 165-1 . CA 415 673 . . -722.664917 . 8.479337165 . 119.1896815 . 38.37120215 . A 165 ASP H A 165 ASP N A 165 ASP CB 416 674 . . -422.442688 . 8.479287028 . 119.1584511 . 31.95342217 . A 165 ASP H A 165 ASP N A 165-1 . CB 417 676 . . 169.8483582 . 9.067100282 . 121.6087632 . 53.76478316 . A 65 ASN H A 65 ASN N A 65-1 . CA 418 677 . . 240.317688 . 9.066853692 . 121.6256186 . 50.5732528 . A 65 ASN H A 65 ASN N A 65 ASN CA 419 678 . . -130.3868561 . 9.063784907 . 121.5978873 . 40.18663943 . A 65 ASN H A 65 ASN N A 65-1 . CB 420 679 . . -301.0924072 . 9.068286316 . 121.5849837 . 36.38995973 . A 65 ASN H A 65 ASN N A 65 ASN CB 421 680 . . 214.9954987 . 9.031907113 . 121.4100001 . 58.58222135 . A 169 ILE H A 169 ILE N A 169-1 . CA 422 681 . . 460.0496826 . 9.028930109 . 121.4475919 . 57.07807525 . A 169 ILE H A 169 ILE N . . . . 423 684 . . -411.7275085 . 9.031441975 . 121.4414299 . 40.97957669 . A 169 ILE H A 169 ILE N A 169 ILE CB 424 685 . . -168.0773163 . 9.031581182 . 121.4715924 . 37.94383556 . A 169 ILE H A 169 ILE N A 169-1 . CB 425 687 . . -291.136261 . 8.990466572 . 120.853932 . 67.16972278 . A 129 SER H A 129 SER N A 129-1 . CB 426 688 . . -700.4467163 . 8.990786368 . 120.8425564 . 62.40738406 . A 129 SER H A 129 SER N A 129 SER CB 427 689 . . 210.9431763 . 8.991408412 . 120.8529561 . 58.38968498 . A 129 SER H A 129 SER N A 129-1 . CA 428 690 . . 522.4160767 . 8.99123689 . 120.8479609 . 54.67883156 . A 129 SER H A 129 SER N A 129 SER CA 429 691 . . -300.710907 . 9.033770599 . 119.9293656 . 60.19752618 . A 25 ASP H A 25 ASP N A 25-1 . CB 430 692 . . 220.552063 . 9.033746569 . 119.9160915 . 57.54105692 . A 25 ASP H A 25 ASP N A 25-1 . CA 431 693 . . 1217.670776 . 9.032029195 . 119.929186 . 53.10008415 . A 25 ASP H A 25 ASP N A 25 ASP CA 432 694 . . -1075.813477 . 9.032552094 . 119.9229284 . 35.81754473 . A 25 ASP H A 25 ASP N A 25 ASP CB 433 695 . . 207.1554871 . 8.902077541 . 120.4827083 . 57.05495324 . A 170 PHE H A 170 PHE N A 170-1 . CA 434 696 . . 566.7077026 . 8.895407293 . 120.4902809 . 55.06112021 . A 170 PHE H A 170 PHE N A 170 PHE CA 435 697 . . -208.4266052 . 8.897237263 . 120.4996283 . 40.85448497 . A 170 PHE H A 170 PHE N A 170-1 . CB 436 698 . . -425.4370117 . 8.895560263 . 120.4914068 . 38.75490388 . A 170 PHE H A 170 PHE N A 170 PHE CB 437 699 . . 224.8101044 . 8.808761018 . 120.0998497 . 55.76864913 . A 44 LYS H A 44 LYS N A 44-1 . CA 438 700 . . 602.4539795 . 8.807644223 . 120.1488863 . 54.94043238 . A 44 LYS H A 44 LYS N A 44 LYS CA 439 701 . . -598.4343262 . 8.807369776 . 120.1525395 . 30.02722441 . A 44 LYS H A 44 LYS N A 44-1 . CB 440 702 . . 230.6982269 . 8.746130036 . 122.2771438 . 61.98028684 . A 33 VAL H A 33 VAL N A 33 VAL CA 441 703 . . 133.2076263 . 8.73839318 . 122.2402038 . 55.78513174 . A 33 VAL H A 33 VAL N A 33-1 . CA 442 704 . . -145.4919891 . 8.740792053 . 122.1661607 . 36.76943744 . A 33 VAL H A 33 VAL N A 33-1 . CB 443 705 . . -234.3511963 . 8.745095848 . 122.2631822 . 27.78353099 . A 33 VAL H A 33 VAL N A 33 VAL CB 444 706 . . -814.4522095 . 8.821279081 . 122.1829282 . 60.18428496 . A 24 SER H A 24 SER N A 24 SER CB 445 707 . . 598.5123291 . 8.822087247 . 122.186925 . 57.55149883 . A 24 SER H A 24 SER N A 24 SER CA 446 708 . . 425.1563721 . 8.822656093 . 122.1759527 . 49.41601743 . A 24 SER H A 24 SER N A 24-1 . CA 447 709 . . -383.3834839 . 8.822055256 . 122.1663375 . 26.81040007 . A 24 SER H A 24 SER N A 24-1 . CB 448 710 . . 109.4793396 . 8.874071807 . 121.5954136 . 53.95302392 . A 121 ALA H A 121 ALA N A 121-1 . CA 449 712 . . 447.2590027 . 8.883715406 . 121.5540894 . 48.74860682 . A 121 ALA H A 121 ALA N A 121 ALA CA 450 713 . . -104.8221283 . 8.880816074 . 121.5006855 . 43.25386201 . A 121 ALA H A 121 ALA N A 121-1 . CB 451 714 . . -537.9782715 . 8.882989865 . 121.5476311 . 20.41493936 . A 121 ALA H A 121 ALA N A 121 ALA CB 452 715 . . 299.3649597 . 8.552570783 . 122.5706859 . 56.07074949 . A 158 ALA H A 158 ALA N A 158-1 . CA 453 716 . . 1041.920288 . 8.551080596 . 122.6065321 . 52.93156382 . A 158 ALA H A 158 ALA N A 158 ALA CA 454 718 . . -255.4006195 . 8.549565459 . 122.5693021 . 35.85716456 . A 158 ALA H A 158 ALA N A 158-1 . CB 455 719 . . -920.0748291 . 8.551747508 . 122.5905012 . 14.51701044 . A 158 ALA H A 158 ALA N A 158 ALA CB 456 720 . . 126.405983 . 8.553978019 . 122.1158483 . 61.99851812 . '#172' @203 . H '#172' @203 . N '#172' @203-1 . CA 457 722 . . 402.4023438 . 8.54811665 . 122.169343 . 51.69832659 . '#172' @203 . H '#172' @203 . N '#172' @203 . CA 458 724 . . -428.0711975 . 8.547796133 . 122.1502319 . 38.39369683 . '#172' @203 . H '#172' @203 . N '#172' @203 . CB 459 725 . . -116.7771988 . 8.544116004 . 122.2394895 . 37.01979271 . '#172' @203 . H '#172' @203 . N '#172' @203-1 . CB 460 726 . . 350.3825378 . 8.727385924 . 120.9170991 . 56.12716516 . A 119 GLN H A 119 GLN N A 119 GLN CA 461 727 . . 148.102829 . 8.730687664 . 120.8720833 . 50.31129223 . A 119 GLN H A 119 GLN N A 119-1 . CA 462 728 . . -335.2179565 . 8.7285478 . 120.9165508 . 28.96226409 . A 119 GLN H A 119 GLN N A 119 GLN CB 463 729 . . -155.3860321 . 8.727512251 . 120.9192635 . 36.97653628 . A 119 GLN H A 119 GLN N A 119-1 . CB 464 730 . . 781.6273193 . 8.669268492 . 120.6505728 . 60.11665775 . A 21 ASP H A 21 ASP N A 21-1 . CA 465 731 . . 465.2379761 . 8.668478553 . 120.6527285 . 51.66987712 . A 21 ASP H A 21 ASP N A 21 ASP CA 466 732 . . -897.6257324 . 8.668657507 . 120.6572594 . 37.20227736 . A 21 ASP H A 21 ASP N A 21 ASP CB 467 733 . . -501.6227417 . 8.667708012 . 120.6614174 . 29.54945599 . A 21 ASP H A 21 ASP N A 21-1 . CB 468 734 . . 819.2183838 . 8.441077197 . 122.0928041 . 53.53602943 . A 2 ASP H A 2 ASP N A 2-1 . CA 469 735 . . 1828.580688 . 8.440780974 . 122.0630397 . 51.64793551 . A 2 ASP H A 2 ASP N A 2 ASP CA 470 737 . . -1889.57666 . 8.440601461 . 122.0658565 . 38.57901657 . A 2 ASP H A 2 ASP N A 2 ASP CB 471 738 . . -743.6565552 . 8.440111007 . 122.0855751 . 26.49404276 . A 2 ASP H A 2 ASP N A 2-1 . CB 472 739 . . 426.1513672 . 8.401451118 . 121.8066841 . 51.73306375 . A 146 LEU H A 146 LEU N A 146-1 . CA 473 740 . . 846.6898193 . 8.401326104 . 121.8326677 . 49.96897512 . A 146 LEU H A 146 LEU N A 146 LEU CA 474 742 . . -769.5647583 . 8.401938607 . 121.838406 . 45.0930182 . A 146 LEU H A 146 LEU N A 146 LEU CB 475 743 . . -411.1109314 . 8.402616452 . 121.8231164 . 29.67703917 . A 146 LEU H A 146 LEU N A 146-1 . CB 476 744 . . 410.669342 . 8.517112083 . 121.1102693 . 54.28717221 . A 30 ARG H A 30 ARG N A 30 ARG CA 477 745 . . 307.0279846 . 8.516434673 . 121.0801625 . 41.08825382 . A 30 ARG H A 30 ARG N A 30-1 . CA 478 746 . . -375.8638916 . 8.518929548 . 121.1162577 . 28.63285171 . A 30 ARG H A 30 ARG N A 30 ARG CB 479 747 . . 410.1022949 . 8.461158205 . 120.8532634 . 57.50620611 . A 110 VAL H A 110 VAL N A 110 VAL CA 480 748 . . 247.8398895 . 8.463120249 . 120.8344152 . 50.41185423 . A 110 VAL H A 110 VAL N A 110-1 . CA 481 749 . . -252.8023834 . 8.463891741 . 120.8207726 . 41.67876408 . A 110 VAL H A 110 VAL N A 110-1 . CB 482 750 . . -337.3149109 . 8.461135968 . 120.8507757 . 32.87418604 . A 110 VAL H A 110 VAL N A 110 VAL CB 483 752 . . 2339.234863 . 8.32451251 . 120.2859149 . 53.19891896 . A 6 ASN H A 6 ASN N A 6-1 . CA 484 753 . . 4349.57373 . 8.324730893 . 120.3030243 . 50.4173902 . A 6 ASN H A 6 ASN N A 6 ASN CA 485 754 . . -5465.184082 . 8.324905325 . 120.3065654 . 36.33608921 . A 6 ASN H A 6 ASN N A 6 ASN CB 486 755 . . -2159.825684 . 8.324660492 . 120.297531 . 26.77989766 . A 6 ASN H A 6 ASN N A 6-1 . CB 487 756 . . 610.3905029 . 8.378452695 . 120.1230353 . 57.20616853 . A 156 ARG H A 156 ARG N A 156 ARG CA 488 757 . . -545.6897583 . 8.375767773 . 120.1199572 . 27.45103651 . A 156 ARG H A 156 ARG N A 156 ARG CB 489 758 . . -3366.987549 . 8.157286906 . 121.9595836 . 66.81890037 . A 5 GLN H A 5 GLN N A 5-1 . CB 490 759 . . 2480.617676 . 8.157426726 . 121.9624919 . 59.77329448 . A 5 GLN H A 5 GLN N A 5-1 . CA 491 761 . . 10092.63184 . 8.157104876 . 121.9691996 . 53.144703 . A 5 GLN H A 5 GLN N A 5 GLN CA 492 762 . . -9153.827148 . 8.15720879 . 121.9691907 . 26.81273044 . A 5 GLN H A 5 GLN N A 5 GLN CB 493 763 . . -639.7172852 . 8.086293248 . 121.6390298 . 66.51655189 . A 46 GLU H A 46 GLU N A 46-1 . CB 494 764 . . 827.5030518 . 8.079239653 . 121.6516464 . 60.33632537 . A 46 GLU H A 46 GLU N A 46-1 . CA 495 765 . . 2276.315674 . 8.086359097 . 121.6301106 . 54.44951403 . A 46 GLU H A 46 GLU N A 46 GLU CA 496 767 . . -2034.740601 . 8.086629497 . 121.6248051 . 27.94256519 . A 46 GLU H A 46 GLU N A 46 GLU CB 497 768 . . 5477.09082 . 8.055836771 . 121.0173067 . 53.27691291 . '#170' @218 . H '#170' @218 . N '#170' @218-1 . CA 498 769 . . 15793.56055 . 8.05591621 . 121.0189457 . 51.85014416 . '#170' @218 . H '#170' @218 . N '#170' @218 . CA 499 770 . . -18050.02734 . 8.056027709 . 121.0194117 . 38.61307718 . '#170' @218 . H '#170' @218 . N '#170' @218 . CB 500 771 . . -5640.255371 . 8.055963822 . 121.0226681 . 26.29721078 . '#170' @218 . H '#170' @218 . N '#170' @218-1 . CB 501 773 . . 1793.870239 . 7.984355027 . 120.8703754 . 52.6196811 . A 132 LYS H A 132 LYS N A 132 LYS CA 502 775 . . -357.6025391 . 7.982059946 . 120.8499083 . 35.07970581 . A 132 LYS H A 132 LYS N A 131 ASN CB 503 776 . . -1278.573853 . 7.983296057 . 120.8662507 . 32.306532 . A 132 LYS H A 132 LYS N A 132 LYS CB 504 778 . . 128.4122772 . 7.983404345 . 134.2985752 . 61.2510011 . A 113 ALA H A 113 ALA N A 113-1 . CA 505 779 . . 209.8744812 . 7.989823029 . 134.2872558 . 51.11015744 . A 113 ALA H A 113 ALA N A 113 ALA CA 506 780 . . -178.713913 . 7.979698689 . 134.2577963 . 27.4911217 . A 113 ALA H A 113 ALA N A 113-1 . CB 507 781 . . -212.2375183 . 7.982178473 . 134.2995925 . 17.31355236 . A 113 ALA H A 113 ALA N A 113 ALA CB 508 783 . . 194.0890808 . 8.918010252 . 115.6617793 . 63.31917771 . A 117 TYR H A 117 TYR N A 117 TYR CA 509 786 . . 170.183197 . 9.355273103 . 127.1138273 . 50.42497554 . A 140 TYR H A 140 TYR N A 140-1 . CA 510 788 . . 89.52607727 . 9.434295136 . 126.9969904 . 58.84496553 . A 55 ILE H A 55 ILE N A 55-1 . CA 511 789 . . 208.8981934 . 9.282846248 . 126.8880132 . 54.63691506 . A 130 GLU H A 130 GLU N A 130-1 . CA 512 790 . . 117.0211029 . 8.878488335 . 131.5283169 . 61.38966404 . A 34 VAL H A 34 VAL N A 34 VAL CA 513 791 . . 133.5339813 . 8.886663668 . 131.5283169 . 61.8532722 . A 34 VAL H A 34 VAL N A 34-1 . CA 514 792 . . 99.62055206 . 8.684849657 . 126.6037186 . 58.20975814 . A 127 LYS H A 127 LYS N A 127-1 . CA 515 793 . . 74.22118378 . 8.591928015 . 114.4757988 . 51.77906997 . A 53 SER H A 53 SER N A 53-1 . CA 516 794 . . 84.84368134 . 7.79218217 . 111.9570773 . 54.83424302 . A 107 SER H A 107 SER N A 107-1 . CA 517 795 . . 83.75170898 . 7.439332762 . 110.8181161 . 52.89532155 . A 63 SER H A 63 SER N A 63-1 . CA 518 796 . . 155.3863525 . 8.020476008 . 118.4367726 . 52.07121086 . A 133 GLN H A 133 GLN N A 133 GLN CA 519 797 . . 689.6533813 . 7.985511616 . 120.8605856 . 52.23649603 . A 132 LYS H A 132 LYS N A 132-1 . CA 520 798 . . 164.5132294 . 8.567203598 . 125.0569718 . 58.72063574 . A 67 THR H A 67 THR N A 67-1 . CA 521 799 . . -60.68936157 . 8.566138253 . 125.0569718 . 29.53948612 . A 67 THR H A 67 THR N A 67-1 . CB 522 801 . . 25.31441307 . 8.917166293 . 115.6055536 . 50.07118648 . . . . . . . . . . . . . 523 803 . . 7.873426914 . 8.677699914 . 128.35989 . 52.86911746 . @- @33 . H @- @33 . N @- @33-1 . CA 524 805 . . 81.92422485 . 8.672486803 . 128.35989 . 58.23807283 . @- @33 . H @- @33 . N @- @33 . CA 525 806 . . -96.42493439 . 8.674301194 . 128.35989 . 37.86347187 . @- @33 . H @- @33 . N @- @33 . CB 526 807 . . 68.60379791 . 9.436684803 . 124.1322597 . 58.81478336 . A 68 SER H A 68 SER N A 68-1 . CA 527 809 . . 10.32333946 . 9.040981604 . 126.4211413 . 53.74693961 . @- @49 . H @- @49 . N @- @49-1 . CA 528 811 . . 340.7945557 . 8.831502374 . 125.7255582 . 55.58988885 . A 108 TYR H A 108 TYR N A 108-1 . CA 529 812 . . -473.3251038 . 8.829635686 . 125.7255582 . 39.0183734 . A 108 TYR H A 108 TYR N A 108 TYR CB 530 813 . . -437.0877991 . 8.830741345 . 125.7255582 . 62.25092992 . A 108 TYR H A 108 TYR N A 108-1 . CB 531 814 . . 124.8587646 . 6.524063591 . 111.008087 . 32.90585781 . . . . . . . . . . . . . 532 815 . . -88.27763367 . 6.52402664 . 111.008087 . 27.68640618 . . . . . . . . . . . . . 533 816 . . 14.3773241 . 6.525566556 . 111.008087 . 64.88714236 . . . . . . . . . . . . . 534 817 . . 168.9008636 . 6.559254783 . 110.1692816 . 31.56734946 . . . . . . . . . . . . . 535 818 . . -156.4699097 . 6.557718212 . 110.1692816 . 26.12121739 . . . . . . . . . . . . . 536 819 . . -398.6365967 . 7.839227929 . 116.0851949 . 37.27151527 . A 22 PHE H A 22 PHE N A 22-1 . CB 537 820 . . -966.0860596 . 7.838973092 . 116.0839946 . 36.65845142 . A 22 PHE H A 22 PHE N A 22 PHE CB 538 825 . . 1.509170294 . 6.954991497 . 110.6466805 . 63.58702026 . . . . . . . . . . . . . 539 826 . . -163.4043274 . 6.954704056 . 110.6466805 . 26.26278433 . . . . . . . . . . . . . 540 827 . . 194.5917816 . 6.954680352 . 110.6466805 . 31.50205726 . . . . . . . . . . . . . 541 828 . . -170.4543915 . 8.334484846 . 116.2877434 . 29.91159414 . A 79 ARG H A 79 ARG N A 79 ARG CB 542 829 . . 132.6690521 . 8.385050809 . 117.864844 . 57.98274266 . A 155 THR H A 155 THR N A 155-1 . CA 543 830 . . 124.7948151 . 9.00420209 . 120.4100738 . 53.18806026 . @- @194 . H @- @194 . N @- @194-1 . CA 544 831 . . 363.2420349 . 9.005585987 . 120.4100738 . 51.59544843 . @- @194 . H @- @194 . N @- @194 . CA 545 835 . . 168.891449 . 8.414137379 . 120.807955 . 58.33333103 . A 102 TYR H A 102 TYR N A 102 TYR CA 546 836 . . 364.4194946 . 8.413393176 . 120.807955 . 51.99434137 . A 102 TYR H A 102 TYR N A 102-1 . CA 547 837 . . -154.0308685 . 8.41116866 . 120.807955 . 33.95197917 . A 102 TYR H A 102 TYR N A 102-1 . CB 548 838 . . -526.6057739 . 8.414948688 . 120.807955 . 38.59262785 . A 102 TYR H A 102 TYR N A 102 TYR CB 549 839 . . 62.64239883 . 8.374464179 . 120.1183896 . 64.78657522 . A 156 ARG H A 156 ARG N A 156-1 . CA 550 840 . . -77.91355896 . 8.373715532 . 120.1183896 . 65.85619201 . A 156 ARG H A 156 ARG N A 156-1 . CB 551 841 . . 1199.855591 . 7.945333008 . 120.8571621 . 57.35887566 . A 115 THR H A 115 THR N A 115 THR CA 552 842 . . 732.6676636 . 7.946681971 . 120.8571621 . 57.11832689 . A 115 THR H A 115 THR N A 115-1 . CA 553 843 . . -1159.970093 . 7.944980811 . 120.8571621 . 66.12706074 . A 115 THR H A 115 THR N A 115-1 . CB 554 844 . . -25.4274807 . 8.590104514 . 114.4757988 . 38.2051375 . A 53 SER H A 53 SER N A 53-1 . CB 555 845 . . -796.7611694 . 8.218691994 . 111.9248728 . 34.42671193 . A 62 ASN H A 62 ASN N A 61 ASN CB 556 846 . . -1224.709106 . 8.026213564 . 112.5172191 . 38.01036872 . A 166 ASP H A 166 ASP N A 166 ASP CB 557 847 . . -507.0655823 . 8.017163653 . 112.5172191 . 38.37476831 . A 166 ASP H A 166 ASP N A 165 ASP CB 558 848 . . 99.74568939 . 8.472201151 . 119.2379083 . 60.89854278 . . . . . . . . . . . . . 559 849 . . 108.4171677 . 8.475746453 . 119.1292689 . 57.31863027 . . . . . . . . . . . . . 560 850 . . -86.6366272 . 8.477136286 . 119.2519725 . 39.15198285 . . . . . . . . . . . . . 561 851 . . -188.7655945 . 8.49526728 . 119.0749723 . 26.25115827 . . . . . . . . . . . . . 562 852 . . 78.03276825 . 8.479272888 . 119.1656463 . 10.12809688 . . . . . . . . . . . . . 563 853 . . -222.2259979 . 8.992478083 . 127.0949713 . 28.46802973 . A 43 LYS H A 43 LYS N A 43-1 . CB 564 854 . . -354.9320374 . 8.992478083 . 127.0949713 . 30.27166541 . A 43 LYS H A 43 LYS N A 43 LYS CB 565 855 . . 186.3157043 . 8.996228016 . 127.0949713 . 51.10649192 . A 43 LYS H A 43 LYS N A 43-1 . CA 566 856 . . 383.2189636 . 8.99693755 . 127.0949713 . 55.8404216 . A 43 LYS H A 43 LYS N A 43 LYS CA 567 857 . . 395.4982605 . 9.008043781 . 127.0949713 . 52.15481777 . A 101 ARG H A 101 ARG N A 101 ARG CA 568 858 . . 181.9047394 . 9.010706195 . 127.0949713 . 51.70789421 . A 101 ARG H A 101 ARG N A 101-1 . CA 569 859 . . -335.2449036 . 9.00711822 . 127.0949713 . 33.95890873 . A 101 ARG H A 101 ARG N A 101 ARG CB 570 860 . . -141.0505371 . 9.004759906 . 127.0949713 . 31.61734331 . A 101 ARG H A 101 ARG N A 101-1 . CB 571 861 . . -189.8096313 . 8.111171154 . 116.6083931 . 14.56444788 . A 159 LYS H A 159 LYS N A 159-1 . CB 572 862 . . -324.6170959 . 8.109165293 . 116.6083931 . 29.06827341 . A 159 LYS H A 159 LYS N A 159 LYS CB 573 863 . . -189.0729065 . 8.107444696 . 116.6083931 . 45.11489085 . A 147 SER H A 147 SER N A 147-1 . CB 574 864 . . -874.906189 . 8.107132638 . 116.6083931 . 60.17380433 . A 147 SER H A 147 SER N A 147 SER CB 575 865 . . -608.2890625 . 8.325249468 . 121.346806 . 26.29803908 . A 152 GLU H A 152 GLU N A 152 GLU CB 576 866 . . -178.0287476 . 8.325907914 . 121.346806 . 28.7031165 . A 152 GLU H A 152 GLU N A 152-1 . CB 577 867 . . -433.8044434 . 8.31476669 . 121.346806 . 37.49590614 . A 154 PHE H A 154 PHE N A 154 PHE CB 578 868 . . -138.3454285 . 8.317527337 . 121.346806 . 27.7418904 . A 154 PHE H A 154 PHE N A 154-1 . CB 579 869 . . 387.0763245 . 9.482581034 . 109.5650916 . 41.03897704 . A 29 GLY H A 29 GLY N A 29 GLY CA 580 870 . . 96.88510132 . 9.484825646 . 109.5650916 . 52.99698832 . A 29 GLY H A 29 GLY N A 29-1 . CA 581 871 . . -113.0267105 . 9.483265092 . 109.5650916 . 28.66426431 . A 29 GLY H A 29 GLY N A 29-1 . CB 582 872 . . 102.6879425 . 9.29509313 . 124.2646194 . 51.86646862 . @- @566 . H @- @566 . N @- @566 . CA 583 873 . . 19.47601318 . 9.295171259 . 124.2646194 . 50.09812757 . @- @566 . H @- @566 . N @- @566-1 . CA 584 874 . . -112.958725 . 9.291915085 . 124.2646194 . 30.66098845 . @- @566 . H @- @566 . N @- @566 . CB 585 875 . . 11947.57031 . 8.174068591 . 115.7986496 . 59.29100144 . '#170' 702 THR H '#170' 702 THR N '#170' 702 THR CA 586 876 . . -6003.661133 . 8.174845858 . 115.7986496 . 61.12379106 . '#170' 702 THR H '#170' 702 THR N '#170' 702-1 . CB 587 877 . . -17628.58594 . 8.174586579 . 115.7986496 . 67.08900578 . '#170' 702 THR H '#170' 702 THR N '#170' 702 THR CB 588 878 . . 4191.022461 . 8.175225347 . 115.7986496 . 55.73180494 . '#170' 702 THR H '#170' 702 THR N '#170' 702-1 . CA 589 879 . . 345.1042175 . 8.804830453 . 127.0128407 . 57.60784006 . @- @583 . H @- @583 . N @- @583 . CA 590 880 . . 228.1314392 . 8.806654688 . 127.0128407 . 51.65234047 . @- @583 . H @- @583 . N @- @583-1 . CA 591 881 . . -307.4707947 . 8.805820335 . 127.0128407 . 36.73298709 . . . . . . . . . . . . . 592 882 . . 448.0262756 . 8.338245033 . 117.9053952 . 50.9284897 . A 164 LYS H A 164 LYS N A 164 LYS CA 593 883 . . 311.5469666 . 8.34076264 . 117.9053952 . 51.37809611 . A 164 LYS H A 164 LYS N A 164-1 . CA 594 884 . . -103.1186142 . 8.3431306 . 117.9053952 . 38.54141949 . A 164 LYS H A 164 LYS N A 164-1 . CB 595 885 . . -385.3625183 . 8.339695543 . 117.9053952 . 31.9563954 . A 164 LYS H A 164 LYS N A 164 LYS CB 596 886 . . 218.7124176 . 9.009270413 . 120.3972993 . 59.59846886 . A 71 VAL H A 71 VAL N A 71 VAL CA 597 887 . . 93.70972443 . 9.010006123 . 120.3972993 . 50.63898588 . A 71 VAL H A 71 VAL N A 71-1 . CA 598 889 . . -832.9609985 . 8.22514288 . 121.2158474 . 38.58235863 . A 73 ASP H A 73 ASP N A 73 ASP CB 599 890 . . -401.1526184 . 8.224834261 . 121.2158474 . 28.54265433 . A 73 ASP H A 73 ASP N A 73-1 . CB 600 891 . . -675.989563 . 8.205751095 . 121.4144134 . 27.6874317 . A 153 ARG H A 153 ARG N A 153 ARG CB 601 892 . . -231.3327026 . 8.207640255 . 121.4144134 . 26.38036794 . A 153 ARG H A 153 ARG N A 153-1 . CB 602 893 . . 18328.57812 . 8.019283187 . 120.7536217 . 51.81906176 . @- @602 . H @- @602 . N @- @602 . CA 603 894 . . 6340.140137 . 8.019283187 . 120.7536217 . 53.34415382 . @- @602 . H @- @602 . N @- @602-1 . CA 604 895 . . -20098.31836 . 8.01762668 . 120.7536217 . 38.62430938 . @- @602 . H @- @602 . N @- @602 . CB 605 896 . . -5568.752441 . 8.018425889 . 120.7536217 . 26.27582868 . @- @602 . H @- @602 . N @- @602-1 . CB 606 897 . . 168.2680511 . 8.061634056 . 120.2565048 . 51.64185495 . @- @603 . H @- @603 . N @- @603 . CA 607 898 . . -6.564583778 . 8.063128146 . 120.2565048 . 53.24984882 . @- @603 . H @- @603 . N @- @603-1 . CA 608 899 . . -179.0913544 . 8.059777996 . 120.2565048 . 38.79629491 . @- @603 . H @- @603 . N @- @603 . CB 609 900 . . -167.8360596 . 8.058485945 . 120.2565048 . 26.40128793 . @- @603 . H @- @603 . N @- @603-1 . CB 610 901 . . 211.71138 . 7.940640921 . 116.0036931 . 43.42792303 . @- @610 . H @- @610 . N @- @610 . CA 611 902 . . 1433.491821 . 8.455726808 . 116.6375262 . 55.8134546 . @- @635 . H @- @635 . N @- @635 . CA 612 903 . . 673.8616333 . 8.456655044 . 116.6375262 . 51.84096507 . @- @635 . H @- @635 . N @- @635-1 . CA 613 904 . . -2233.831543 . 8.456278191 . 116.6375262 . 61.07607522 . @- @635 . H @- @635 . N @- @635 . CB 614 905 . . -834.0650024 . 8.456078342 . 116.6375262 . 38.65276575 . @- @635 . H @- @635 . N @- @635-1 . CB 615 906 . . 258.5585632 . 9.28199391 . 126.4904975 . 49.89332903 . '#171' @718 . H '#171' @718 . N '#171' @718 . CA 616 907 . . 123.6174164 . 9.28414266 . 126.4904975 . 58.85250444 . '#171' @718 . H '#171' @718 . N '#171' @718-1 . CA 617 908 . . -142.2831421 . 9.283354279 . 126.4904975 . 68.79766853 . '#171' @718 . H '#171' @718 . N '#171' @718-1 . CB 618 909 . . -241.9402008 . 9.282446335 . 126.4904975 . 36.67266426 . '#171' @718 . H '#171' @718 . N '#171' @718 . CB 619 910 . . 238.4580536 . 8.435790188 . 126.8976679 . 56.22206144 . A 51 MET H A 51 MET N A 51 MET CA 620 911 . . 49.85838318 . 8.43757427 . 126.8976679 . 61.307383 . A 51 MET H A 51 MET N A 51-1 . CA 621 912 . . -111.6558075 . 8.435411584 . 126.8976679 . 65.83042843 . A 51 MET H A 51 MET N A 51-1 . CB 622 913 . . -163.262619 . 8.428457607 . 126.8976679 . 32.80359096 . A 51 MET H A 51 MET N A 51 MET CB 623 914 . . 168.570694 . 6.577962622 . 110.8257591 . 57.10140079 . A 28 ARG H A 28 ARG N A 28-1 . CA 624 915 . . 1167.090454 . 6.579540827 . 110.8257591 . 53.03639882 . A 28 ARG H A 28 ARG N A 28 ARG CA 625 916 . . -115.5468445 . 6.579225387 . 110.8257591 . 38.76881215 . A 28 ARG H A 28 ARG N A 28-1 . CB 626 917 . . -871.4835205 . 6.579225187 . 110.8257591 . 28.57768181 . A 28 ARG H A 28 ARG N A 28 ARG CB 627 918 . . -578.5143433 . 7.534305444 . 118.4513215 . 26.53028376 . '#173' @727 . H '#173' @727 . N '#173' @727-1 . CB 628 919 . . 551.9659424 . 7.537922739 . 118.4513215 . 53.89682297 . '#173' @727 . H '#173' @727 . N '#173' @727 . CA 629 920 . . 222.8198395 . 7.537345844 . 118.4513215 . 55.20484702 . '#173' @727 . H '#173' @727 . N '#173' @727-1 . CA 630 921 . . 581.1139526 . 7.422014969 . 119.0396351 . 57.13434071 . A 27 PHE H A 27 PHE N A 27 PHE CA 631 922 . . 155.4840698 . 7.420998312 . 119.0396351 . 53.96236935 . A 27 PHE H A 27 PHE N A 27-1 . CA 632 923 . . -354.2147217 . 7.42101868 . 119.0396351 . 38.69986937 . A 27 PHE H A 27 PHE N A 27 PHE CB 633 924 . . -78.71170807 . 7.421979754 . 119.0396351 . 26.26488969 . A 27 PHE H A 27 PHE N A 27-1 . CB 634 925 . . -272.3031616 . 7.421257973 . 119.0538015 . 30.11115853 . @- @809 . H @- @809 . N @- @809 . CB 635 926 . . 288.54953 . 7.420569994 . 119.0538015 . 51.41437089 . @- @809 . H @- @809 . N @- @809 . CA 636 927 . . 117.9932785 . 7.418507508 . 119.0538015 . 58.71767416 . @- @809 . H @- @809 . N @- @809-1 . CA 637 929 . . -41.08363342 . 7.419195392 . 119.0538015 . 60.44619979 . @- @809 . H @- @809 . N @- @809-1 . CB 638 930 . . -430.1402283 . 8.740804886 . 121.5920841 . 31.65955578 . A 100 HIS H A 100 HIS N A 100 HIS CB 639 931 . . -334.8101196 . 8.742401656 . 121.6031575 . 26.71480045 . A 60 GLU H A 60 GLU N A 60 GLU CB 640 932 . . -167.6325836 . 8.741997536 . 121.6031575 . 27.87143789 . A 60 GLU H A 60 GLU N A 60-1 . CB 641 933 . . -149.6125641 . 8.742773556 . 121.6031575 . 39.14633966 . A 100 HIS H A 100 HIS N A 100-1 . CB 642 934 . . -79.4755249 . 9.010389242 . 120.3972993 . 42.43891211 . A 71 VAL H A 71 VAL N A 70 LEU CB 643 935 . . -97.65634918 . 9.009471115 . 120.3972993 . 39.80999118 . @- @194 . H @- @194 . N @- @194-1 . CB 644 936 . . 180.432663 . 7.993242242 . 120.8586783 . 55.16194987 . A 49 PHE H A 49 PHE N A 49-1 . CA 645 937 . . -208.1725311 . 7.993565398 . 120.8586783 . 61.6258722 . A 49 PHE H A 49 PHE N A 49-1 . CB 646 938 . . -376.4967041 . 7.999630431 . 120.8586783 . 37.21166094 . A 49 PHE H A 49 PHE N A 49 PHE CB 647 939 . . -595.5740356 . 7.536247821 . 118.4513215 . 26.55693876 . '#173' @727 . H '#173' @727 . N '#173' @727 . CB 648 940 . . -177.8715515 . 9.004545057 . 120.3972993 . 30.00725589 . A 71 VAL H A 71 VAL N A 71 VAL CB 649 941 . . -324.8108826 . 9.008835458 . 120.3972993 . 34.53500534 . @- @194 . H @- @194 . N @- @194 . CB stop_ save_ # End of data_mLcn2_12_22_linux_final_cleaned ; 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 . 'not observed' 5.614 ppm . . . . . . 52144 6 2 . . N 15 NH . 'not observed' 32.303 ppm . . . . . . 52144 6 3 . . C 13 'CA, CB' . 'not observed' 60.057 ppm . . . . . . 52144 6 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 1 $software_1 . . 52144 6 stop_ save_ save_spectral_peak_list_7 _Spectral_peak_list.Sf_category spectral_peak_list _Spectral_peak_list.Sf_framecode spectral_peak_list_7 _Spectral_peak_list.Entry_ID 52144 _Spectral_peak_list.ID 7 _Spectral_peak_list.Name CBCAcoNH _Spectral_peak_list.Sample_ID 1 _Spectral_peak_list.Sample_label $sample_1 _Spectral_peak_list.Sample_condition_list_ID 1 _Spectral_peak_list.Sample_condition_list_label $sample_conditions_1 _Spectral_peak_list.Chem_shift_reference_ID 1 _Spectral_peak_list.Chem_shift_reference_label $chem_shift_reference_1 _Spectral_peak_list.Experiment_ID 8 _Spectral_peak_list.Experiment_name '3D CBCA(CO)NH' _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 _Spectral_peak_list.Details . _Spectral_peak_list.Text_data_format text _Spectral_peak_list.Text_data ; data_mLcn2_12_22_linux_final_cleaned save_nef_nmr_meta_data _nef_nmr_meta_data.sf_category nef_nmr_meta_data _nef_nmr_meta_data.sf_framecode nef_nmr_meta_data _nef_nmr_meta_data.format_name nmr_exchange_format _nef_nmr_meta_data.format_version 1.1 _nef_nmr_meta_data.program_name AnalysisAssign _nef_nmr_meta_data.program_version 3.1.1 _nef_nmr_meta_data.creation_date 2023-08-11T09:35:15.931968 _nef_nmr_meta_data.uuid AnalysisAssign-2023-08-11T09:35:15.931968-1794436802 _nef_nmr_meta_data.coordinate_file_name . loop_ _nef_program_script.program_name _nef_program_script.script_name _nef_program_script.script CcpNmr exportProject . stop_ save_ save_nef_molecular_system _nef_molecular_system.sf_category nef_molecular_system _nef_molecular_system.sf_framecode nef_molecular_system save_ save_nef_nmr_spectrum_90-1-3D-CBCAcoNH`1` _nef_nmr_spectrum.sf_category nef_nmr_spectrum _nef_nmr_spectrum.sf_framecode nef_nmr_spectrum_90-1-3D-CBCAcoNH`1` _nef_nmr_spectrum.num_dimensions 3 _nef_nmr_spectrum.chemical_shift_list . _nef_nmr_spectrum.experiment_classification . _nef_nmr_spectrum.experiment_type 90-1 loop_ _nef_spectrum_dimension.dimension_id _nef_spectrum_dimension.axis_unit _nef_spectrum_dimension.axis_code _nef_spectrum_dimension.spectrometer_frequency _nef_spectrum_dimension.spectral_width _nef_spectrum_dimension.value_first_point _nef_spectrum_dimension.folding _nef_spectrum_dimension.absolute_peak_positions _nef_spectrum_dimension.is_acquisition 1 ppm 1H 799.75 5.614182593 10.68814 circular true true 2 ppm 15N 81.03796372 32.30339124 135.6517 circular true false 3 ppm 13C 201.0972975 70.03827113 78.109 circular true false stop_ loop_ _nef_spectrum_dimension_transfer.dimension_1 _nef_spectrum_dimension_transfer.dimension_2 _nef_spectrum_dimension_transfer.transfer_type _nef_spectrum_dimension_transfer.is_indirect stop_ loop_ _nef_peak.index _nef_peak.peak_id _nef_peak.volume _nef_peak.volume_uncertainty _nef_peak.height _nef_peak.height_uncertainty _nef_peak.position_1 _nef_peak.position_uncertainty_1 _nef_peak.position_2 _nef_peak.position_uncertainty_2 _nef_peak.position_3 _nef_peak.position_uncertainty_3 _nef_peak.chain_code_1 _nef_peak.sequence_code_1 _nef_peak.residue_name_1 _nef_peak.atom_name_1 _nef_peak.chain_code_2 _nef_peak.sequence_code_2 _nef_peak.residue_name_2 _nef_peak.atom_name_2 _nef_peak.chain_code_3 _nef_peak.sequence_code_3 _nef_peak.residue_name_3 _nef_peak.atom_name_3 1 3 . . 140.7656403 . 9.136451372 . 109.6584466 . 55.11126521 . A 131 ASN H A 131 ASN N A 131-1 . CA 2 5 . . 181.8758698 . 9.14068141 . 109.6817364 . 25.15075054 . A 131 ASN H A 131 ASN N A 131-1 . CB 3 8 . . -32.22159195 . 9.125037527 . 109.406448 . 12.3138613 . . . . . . . . . . . . . 4 12 . . -34.13175964 . 9.488126785 . 109.7597721 . 60.04669452 . . . . . . . . . . . . . 5 17 . . -32.56899261 . 9.958423351 . 105.5526713 . 52.15276767 . . . . . . . . . . . . . 6 18 . . 48.55915833 . 9.941608256 . 105.7691997 . 49.9408087 . A 141 GLY H A 141 GLY N A 141-1 . CA 7 19 . . 70.13443756 . 9.949369931 . 105.7805262 . 38.47376015 . A 141 GLY H A 141 GLY N A 141-1 . CB 8 25 . . 45.52529907 . 9.447296727 . 116.5655791 . 56.39370479 . A 138 THR H A 138 THR N A 138-1 . CA 9 27 . . 44.60342407 . 9.441288378 . 116.5655791 . 39.42648509 . A 138 THR H A 138 THR N A 138-1 . CB 10 28 . . 89.37865448 . 9.140198712 . 115.1839027 . 65.00031676 . A 54 THR H A 54 THR N A 54-1 . CB 11 29 . . 76.52120972 . 9.14471422 . 115.1225166 . 52.72974 . A 54 THR H A 54 THR N A 54-1 . CA 12 32 . . 160.1968231 . 9.418733362 . 114.2166806 . 53.77003936 . A 95 THR H A 95 THR N A 95-1 . CA 13 34 . . 119.6801071 . 9.420482416 . 114.1854405 . 41.43727349 . A 95 THR H A 95 THR N A 95-1 . CB 14 35 . . 82.40652466 . 9.195130874 . 113.8225793 . 52.29318264 . A 97 GLY H A 97 GLY N A 97-1 . CA 15 36 . . 53.24557495 . 9.196374771 . 113.8282604 . 40.69793402 . A 97 GLY H A 97 GLY N A 97-1 . CB 16 38 . . 32.0802803 . 8.972845328 . 117.9975405 . 54.49692389 . . . . . . . . . . . . . 17 42 . . 108.6557007 . 8.99317285 . 118.2292828 . 48.79750302 . A 122 MET H A 122 MET N A 122-1 . CA 18 46 . . 247.6565247 . 8.993065745 . 118.2007661 . 20.40101294 . A 122 MET H A 122 MET N A 122-1 . CB 19 52 . . 198.0366211 . 8.945600691 . 116.8316283 . 42.39324371 . A 78 CYS H A 78 CYS N A 78-1 . CA 20 58 . . 229.4710541 . 8.888440623 . 114.2767392 . 62.73293468 . A 64 TYR H A 64 TYR N A 64-1 . CB 21 59 . . 149.372818 . 8.8829915 . 114.3418993 . 55.66967098 . A 64 TYR H A 64 TYR N A 64-1 . CA 22 61 . . 76.4969101 . 9.256221942 . 120.1148195 . 51.16911563 . A 94 PHE H A 94 PHE N A 94-1 . CA 23 62 . . 113.41539 . 9.271210824 . 120.1543791 . 29.2634474 . A 94 PHE H A 94 PHE N A 94-1 . CB 24 63 . . 90.94615173 . 9.272934684 . 118.6415859 . 63.34434438 . A 118 ASN H A 118 ASN N A 118-1 . CA 25 64 . . 68.79109955 . 9.273906081 . 118.6497751 . 34.161371 . A 118 ASN H A 118 ASN N A 118-1 . CB 26 70 . . 56.51996613 . 9.782888695 . 119.8879969 . 52.60705458 . A 32 TYR H A 32 TYR N A 32-1 . CA 27 71 . . 52.46684265 . 9.786193766 . 119.9131785 . 29.97457906 . A 32 TYR H A 32 TYR N A 32-1 . CB 28 79 . . 75.15161133 . 10.14515258 . 120.2295064 . 56.14494156 . A 120 PHE H A 120 PHE N A 120-1 . CA 29 88 . . 54.00786209 . 10.14379817 . 120.2513959 . 29.11825877 . A 120 PHE H A 120 PHE N A 120-1 . CB 30 97 . . 158.0634766 . 9.775142626 . 119.1716954 . 51.67309914 . A 137 ILE H A 137 ILE N A 137-1 . CA 31 100 . . 114.7719421 . 9.772279935 . 119.1752991 . 34.45634033 . A 137 ILE H A 137 ILE N A 137-1 . CB 32 106 . . 117.3175507 . 9.161710677 . 124.1282322 . 52.17580523 . A 134 TYR H A 134 TYR N A 134-1 . CA 33 107 . . 115.169632 . 9.163871761 . 124.1669499 . 27.25957377 . A 134 TYR H A 134 TYR N A 134-1 . CB 34 109 . . 36.39925385 . 9.425631093 . 123.9052036 . 63.71802174 . . . . . . . . . . . . . 35 113 . . 160.6235657 . 9.182065859 . 123.6286839 . 51.88250157 . A 40 ALA H A 40 ALA N A 40-1 . CA 36 115 . . 229.9232941 . 9.180668388 . 123.6039925 . 34.6560201 . A 40 ALA H A 40 ALA N A 40-1 . CB 37 119 . . 42.28594971 . 9.361678218 . 123.5636892 . 50.03053769 . '#171' 604 . H '#171' 604 . N '#171' 604-1 . CA 38 120 . . 64.70236206 . 9.357621531 . 123.5066117 . 36.78301122 . '#171' 604 . H '#171' 604 . N '#171' 604-1 . CB 39 124 . . 237.3322906 . 9.290622016 . 123.1402735 . 42.80008623 . A 36 LEU H A 36 LEU N A 36-1 . CA 40 130 . . 82.60389709 . 9.584459582 . 127.3128018 . 57.61548836 . A 111 GLN H A 111 GLN N A 111-1 . CA 41 132 . . 48.22264481 . 9.582382076 . 127.292014 . 32.82047494 . A 111 GLN H A 111 GLN N A 111-1 . CB 42 137 . . 48.0232811 . 9.355000281 . 127.1057635 . 37.13240489 . A 140 TYR H A 140 TYR N A 140-1 . CB 43 148 . . 238.122879 . 9.283763491 . 126.8973748 . 62.4762277 . A 130 GLU H A 130 GLU N A 130-1 . CB 44 152 . . 105.5324249 . 9.283817106 . 126.9061806 . 54.712559 . A 130 GLU H A 130 GLU N A 130-1 . CA 45 158 . . 55.33958435 . 9.187322028 . 130.6191996 . 50.72720016 . A 66 VAL H A 66 VAL N A 66-1 . CA 46 161 . . 223.9837952 . 9.183686597 . 130.6432107 . 36.38649876 . A 66 VAL H A 66 VAL N A 66-1 . CB 47 163 . . 52.38930893 . 9.142151558 . 128.167238 . 59.11969293 . A 124 PHE H A 124 PHE N A 124-1 . CA 48 164 . . 43.40943527 . 9.148696975 . 128.3446774 . 31.16023403 . A 124 PHE H A 124 PHE N A 124-1 . CB 49 165 . . 32.66545105 . 9.140059045 . 127.9985012 . 18.31252004 . . . . . . . . . . . . . 50 168 . . 74.05990601 . 8.946803398 . 132.7228066 . 52.44789354 . A 58 LEU H A 58 LEU N A 58-1 . CA 51 171 . . 57.16173553 . 8.942503883 . 132.6796943 . 28.71514939 . A 58 LEU H A 58 LEU N A 58-1 . CB 52 173 . . 56.07591629 . 8.898906372 . 130.1275606 . 54.31558734 . A 31 TRP H A 31 TRP N A 31-1 . CA 53 175 . . 25.63186264 . 8.890668277 . 130.1863642 . 28.79176454 . A 31 TRP H A 31 TRP N A 31-1 . CB 54 176 . . 36.14715576 . 8.846008855 . 128.2330558 . 37.21822644 . A 56 TYR H A 56 TYR N A 56-1 . CB 55 177 . . 24.90433502 . 8.863380415 . 128.1910845 . 57.62241802 . A 56 TYR H A 56 TYR N A 56-1 . CA 56 179 . . 81.21355438 . 8.253785634 . 130.1778176 . 49.80582072 . A 19 GLN H A 19 GLN N A 19-1 . CA 57 180 . . 88.25504303 . 8.2562201 . 130.20882 . 43.20079416 . A 19 GLN H A 19 GLN N A 19-1 . CB 58 183 . . 89.23704529 . 8.485281394 . 127.9047572 . 52.83847179 . A 112 VAL H A 112 VAL N A 112-1 . CA 59 184 . . 48.99668884 . 8.489137556 . 127.9560915 . 31.4503149 . A 112 VAL H A 112 VAL N A 112-1 . CB 60 187 . . 75.39189911 . 8.454406058 . 127.2401708 . 59.71102695 . A 72 ARG H A 72 ARG N A 72-1 . CA 61 190 . . 43.87837219 . 8.456625242 . 127.1644575 . 29.87029322 . A 72 ARG H A 72 ARG N A 72-1 . CB 62 191 . . 783.5056152 . 7.885266659 . 127.1902491 . 67.16531454 . '#170' 703 GLN H '#170' 703 GLN N '#170' 703-1 . CB 63 192 . . 775.9050903 . 7.885555307 . 127.191536 . 59.37809584 . '#170' 703 GLN H '#170' 703 GLN N '#170' 703-1 . CA 64 195 . . 72.54876709 . 8.221118464 . 125.8224473 . 68.26591034 . A 139 LEU H A 139 LEU N A 139-1 . CB 65 196 . . 36.7294426 . 8.190768094 . 125.923172 . 57.30049971 . A 139 LEU H A 139 LEU N A 139-1 . CA 66 201 . . 99.03401947 . 8.297637038 . 125.5798185 . 59.97791579 . A 42 GLN H A 42 GLN N A 42-1 . CA 67 203 . . 50.39351654 . 8.301778543 . 125.5631517 . 29.84819703 . A 42 GLN H A 42 GLN N A 42-1 . CB 68 204 . . 404.3522339 . 8.431457107 . 125.6662024 . 51.43874927 . A 91 ALA H A 91 ALA N A 91-1 . CA 69 206 . . 299.5767212 . 8.431642158 . 125.6507815 . 30.14023578 . A 91 ALA H A 91 ALA N A 91-1 . CB 70 211 . . 133.0317688 . 8.501825651 . 125.0024269 . 50.83591734 . A 176 GLN H A 176 GLN N A 176-1 . CA 71 212 . . 196.223526 . 8.496338851 . 124.9788568 . 38.34473977 . A 176 GLN H A 176 GLN N A 176-1 . CB 72 214 . . 51.4173851 . 8.272438328 . 124.1873609 . 52.99774137 . A 123 VAL H A 123 VAL N A 123-1 . CA 73 215 . . 37.2342453 . 8.266676683 . 124.1170827 . 31.85644982 . A 123 VAL H A 123 VAL N A 123-1 . CB 74 218 . . 52.44093323 . 8.249555976 . 123.3402405 . 67.01716663 . A 175 ASP H A 175 ASP N A 175-1 . CB 75 219 . . 51.09550858 . 8.25015296 . 123.3976379 . 56.34643936 . A 175 ASP H A 175 ASP N A 175-1 . CA 76 223 . . 40.95324707 . 8.537973044 . 123.4383197 . 58.84301046 . A 70 LEU H A 70 LEU N A 70-1 . CA 77 231 . . 124.4352798 . 9.081603939 . 125.8670671 . 40.46044693 . A 125 PHE H A 125 PHE N A 125-1 . CB 78 233 . . 94.96253204 . 9.077249663 . 125.8452083 . 54.09598947 . A 125 PHE H A 125 PHE N A 125-1 . CA 79 235 . . -31.70179176 . 9.03890752 . 125.4546452 . 57.05892568 . . . . . . . . . . . . . 80 236 . . 79.59174347 . 9.057780369 . 125.1875594 . 56.16284644 . A 109 ASN H A 109 ASN N A 109-1 . CA 81 237 . . 99.10913849 . 9.051895712 . 125.1640362 . 39.03609214 . A 109 ASN H A 109 ASN N A 109-1 . CB 82 264 . . 344.7807617 . 8.727739437 . 126.3727873 . 51.69324162 . A 8 ILE H A 8 ILE N A 8-1 . CA 83 267 . . 332.7101135 . 8.725490155 . 126.3494017 . 40.53860808 . A 8 ILE H A 8 ILE N A 8-1 . CB 84 275 . . 411.1269531 . 8.692885022 . 125.8610006 . 61.06993644 . A 13 LEU H A 13 LEU N A 13-1 . CB 85 276 . . 175.1663666 . 8.694262697 . 125.8393312 . 54.52502734 . A 13 LEU H A 13 LEU N A 13-1 . CA 86 278 . . 88.91390228 . 8.883305416 . 125.3238851 . 54.81804713 . A 57 GLU H A 57 GLU N A 57-1 . CA 87 279 . . 79.49488831 . 8.896951991 . 125.2863738 . 36.07330728 . A 57 GLU H A 57 GLU N A 57-1 . CB 88 280 . . 73.05905914 . 8.748357172 . 124.8324643 . 60.24139607 . A 106 GLN H A 106 GLN N A 106-1 . CA 89 281 . . 48.20187378 . 8.758731572 . 124.9018837 . 29.89603801 . A 106 GLN H A 106 GLN N A 106-1 . CB 90 282 . . 79.16809845 . 8.940811574 . 124.7095732 . 52.18936853 . A 37 ALA H A 37 ALA N A 37-1 . CA 91 283 . . 104.9428329 . 8.934549572 . 124.7560038 . 44.93038155 . A 37 ALA H A 37 ALA N A 37-1 . CB 92 285 . . 133.3001251 . 8.805718737 . 123.8264905 . 52.40921999 . A 50 THR H A 50 THR N A 50-1 . CA 93 287 . . 179.3152924 . 8.807152213 . 123.8374224 . 37.2027804 . A 50 THR H A 50 THR N A 50-1 . CB 94 292 . . 478.3339233 . 8.151722006 . 123.0630672 . 60.03127665 . A 10 ALA H A 10 ALA N A 10-1 . CA 95 294 . . 357.7729187 . 8.153125671 . 123.0642126 . 29.63893654 . A 10 ALA H A 10 ALA N A 10-1 . CB 96 296 . . -108.1537323 . 8.062773054 . 123.2376456 . 53.25844762 . . . . . . . . . . . . . 97 298 . . 2498.192871 . 8.051390692 . 123.0460442 . 50.46344436 . A 7 LEU H A 7 LEU N A 7-1 . CA 98 302 . . 5596.947266 . 8.051232957 . 123.0427678 . 36.37988201 . A 7 LEU H A 7 LEU N A 7-1 . CB 99 306 . . 118.1535797 . 7.430868978 . 128.3261144 . 57.30216329 . A 23 ARG H A 23 ARG N A 23-1 . CA 100 307 . . 97.02692413 . 7.428027084 . 128.354894 . 36.79945917 . A 23 ARG H A 23 ARG N A 23-1 . CB 101 309 . . 648.3869019 . 6.899111714 . 125.0388304 . 66.77391232 . A 16 VAL H A 16 VAL N A 16-1 . CB 102 310 . . 521.5772705 . 6.898657019 . 125.0348948 . 59.63730967 . A 16 VAL H A 16 VAL N A 16-1 . CA 103 312 . . 182.2385712 . 7.481683792 . 124.5384081 . 51.82986187 . '#172' @64 . H '#172' @64 . N '#172' @64-1 . CA 104 313 . . 277.4988708 . 7.479978392 . 124.5357924 . 38.30636679 . '#172' @64 . H '#172' @64 . N '#172' @64-1 . CB 105 315 . . 57.55423355 . 6.939274413 . 123.1052291 . 66.2666867 . A 116 ASP H A 116 ASP N A 116-1 . CB 106 316 . . 59.9213028 . 6.937666388 . 123.0169849 . 57.37743979 . A 116 ASP H A 116 ASP N A 116-1 . CA 107 317 . . 297.4419861 . 6.801780639 . 122.2646264 . 48.4074779 . A 41 VAL H A 41 VAL N A 41-1 . CA 108 318 . . 606.3883057 . 6.802474265 . 122.2690907 . 16.09282344 . A 41 VAL H A 41 VAL N A 41-1 . CB 109 319 . . 257.5839539 . 6.967645775 . 120.8456515 . 59.8349898 . A 161 LEU H A 161 LEU N A 161-1 . CB 110 320 . . 186.3159027 . 6.960895226 . 120.8293907 . 58.77079499 . A 161 LEU H A 161 LEU N A 161-1 . CA 111 321 . . 109.7525253 . 7.745428707 . 122.5324822 . 68.37173766 . A 96 LEU H A 96 LEU N A 96-1 . CB 112 322 . . 84.92201996 . 7.746009016 . 122.5216106 . 57.60542339 . A 96 LEU H A 96 LEU N A 96-1 . CA 113 323 . . 284.1106567 . 7.740646002 . 121.8789328 . 60.8532201 . A 18 LEU H A 18 LEU N A 18-1 . CA 114 324 . . 168.1047211 . 7.739704101 . 121.8648637 . 29.54588039 . A 18 LEU H A 18 LEU N A 18-1 . CB 115 325 . . 269.45047 . 7.628142247 . 121.7828779 . 57.41274235 . A 150 LEU H A 150 LEU N A 150-1 . CA 116 326 . . 218.0327454 . 7.62656784 . 121.7902215 . 26.09146467 . A 150 LEU H A 150 LEU N A 150-1 . CB 117 328 . . 150.8617249 . 7.608454189 . 119.4193441 . 53.94872712 . A 136 LYS H A 136 LYS N A 136-1 . CA 118 329 . . 153.8512878 . 7.629563809 . 119.2558015 . 39.43480461 . A 151 LYS H A 151 LYS N A 151-1 . CB 119 332 . . 153.5027466 . 7.630194469 . 119.2153712 . 54.85087623 . A 151 LYS H A 151 LYS N A 151-1 . CA 120 337 . . 34.03939438 . 7.592859152 . 119.4738598 . 51.48329858 . . . . . . . . . . . . . 121 341 . . 110.7601013 . 7.614997473 . 119.3861665 . 26.75061412 . A 136 LYS H A 136 LYS N A 136-1 . CB 122 343 . . 1662.563354 . 7.41904917 . 118.6730561 . 60.55032006 . A 90 ARG H A 90 ARG N A 90-1 . CB 123 345 . . 657.2387695 . 7.419462682 . 118.6711052 . 58.81161951 . A 90 ARG H A 90 ARG N A 90-1 . CA 124 347 . . 290.2626953 . 7.555886408 . 118.2905073 . 41.63850203 . A 93 GLN H A 93 GLN N A 93-1 . CA 125 348 . . 235.9485321 . 7.751295316 . 118.2357605 . 61.2619558 . A 88 SER H A 88 SER N A 88-1 . CA 126 350 . . 207.1366272 . 7.750128141 . 118.2262409 . 30.09869427 . A 88 SER H A 88 SER N A 88-1 . CB 127 351 . . 215.0175476 . 7.01919336 . 118.4505677 . 50.65834837 . A 168 ILE H A 168 ILE N A 168-1 . CA 128 352 . . 249.2912903 . 7.01972974 . 118.4128019 . 39.86366609 . A 168 ILE H A 168 ILE N A 168-1 . CB 129 356 . . 274.2045898 . 6.884961997 . 117.8991443 . 53.19792418 . A 26 GLN H A 26 GLN N A 26-1 . CA 130 357 . . 280.0396423 . 6.883835965 . 117.8886648 . 35.8154669 . A 26 GLN H A 26 GLN N A 26-1 . CB 131 360 . . 367.3589172 . 6.948001397 . 116.3888427 . 42.25962709 . A 163 LEU H A 163 LEU N A 163-1 . CA 132 372 . . 59.15182114 . 6.498550241 . 117.8642257 . 56.31300077 . A 52 TYR H A 52 TYR N A 52-1 . CA 133 375 . . 33.8166275 . 6.500294652 . 117.7717212 . 32.78187236 . A 52 TYR H A 52 TYR N A 52-1 . CB 134 379 . . 25.39036751 . 6.500033246 . 118.1703247 . 18.81274224 . . . . . . . . . . . . . 135 394 . . 274.6653748 . 7.009809524 . 106.6904904 . 51.04940044 . A 114 THR H A 114 THR N A 114-1 . CA 136 395 . . 480.98526 . 7.010823815 . 106.6857478 . 17.290877 . A 114 THR H A 114 THR N A 114-1 . CB 137 396 . . 122.2828217 . 7.805563261 . 109.07254 . 53.22691682 . A 143 THR H A 143 THR N A 143-1 . CA 138 397 . . 49.6613121 . 7.808150344 . 109.2359121 . 28.13813219 . . . . . . . . . . . . . 139 398 . . 78.67998505 . 7.817635372 . 109.1281058 . 53.26395457 . A 143 THR H A 143 THR N A 143-1 . CA 140 401 . . 146.5369568 . 7.931819298 . 106.655015 . 46.69039973 . A 38 GLY H A 38 GLY N A 38-1 . CA 141 405 . . 304.0385437 . 7.930968377 . 106.6376382 . 21.97195485 . A 38 GLY H A 38 GLY N A 38-1 . CB 142 407 . . 108.2390442 . 8.025342305 . 106.4715648 . 61.50099376 . A 35 GLY H A 35 GLY N A 35-1 . CA 143 409 . . 189.7476807 . 7.594708791 . 104.8287807 . 51.50094882 . A 162 GLY H A 162 GLY N A 162-1 . CA 144 410 . . 125.6044769 . 7.592580596 . 104.819436 . 38.51289709 . A 162 GLY H A 162 GLY N A 162-1 . CB 145 413 . . 969.3196411 . 8.270039729 . 108.5716976 . 54.53939425 . A 47 GLY H A 47 GLY N A 47-1 . CA 146 414 . . 899.4863281 . 8.27064417 . 108.5771003 . 27.97491343 . A 47 GLY H A 47 GLY N A 47-1 . CB 147 415 . . 541.670105 . 8.164457738 . 107.4742595 . 53.85980383 . A 77 GLY H A 77 GLY N A 77-1 . CA 148 416 . . 467.4038391 . 8.164897025 . 107.4693012 . 25.88495524 . A 77 GLY H A 77 GLY N A 77-1 . CB 149 417 . . 137.7305603 . 8.219720637 . 111.9379361 . 50.07381792 . A 62 ASN H A 62 ASN N A 62-1 . CA 150 419 . . 148.6077118 . 8.283077065 . 111.4188231 . 50.6114425 . A 92 GLY H A 92 GLY N A 92-1 . CA 151 420 . . 315.2270203 . 8.281853201 . 111.4260973 . 15.69707494 . A 92 GLY H A 92 GLY N A 92-1 . CB 152 422 . . 215.5535278 . 8.01542656 . 112.5433539 . 56.14761122 . A 166 ASP H A 166 ASP N A 166-1 . CA 153 424 . . 479.9116516 . 8.629374556 . 116.1055179 . 53.01268646 . A 74 GLN H A 74 GLN N A 74-1 . CA 154 426 . . 794.3846436 . 8.62896408 . 116.1123184 . 38.60460484 . A 74 GLN H A 74 GLN N A 74-1 . CB 155 433 . . 56.86885452 . 8.511842764 . 115.9620698 . 51.60360656 . A 128 THR H A 128 THR N A 128-1 . CA 156 437 . . 30.01906586 . 8.509132094 . 115.8780317 . 31.75457272 . A 128 THR H A 128 THR N A 128-1 . CB 157 444 . . 234.2676849 . 8.76475329 . 115.2673903 . 62.01490657 . @- @108 . H @- @108 . N @- @108-1 . CA 158 445 . . 134.8360291 . 8.761555883 . 115.2654373 . 29.44427047 . @- @108 . H @- @108 . N @- @108-1 . CB 159 449 . . 89.88611603 . 8.708021082 . 117.4588996 . 54.32096006 . A 135 PHE H A 135 PHE N A 135-1 . CA 160 451 . . 96.51069641 . 8.724094773 . 117.5014392 . 38.53876295 . A 135 PHE H A 135 PHE N A 135-1 . CB 161 452 . . 36.69604874 . 8.722355321 . 117.7384622 . 17.14687813 . . . . . . . . . . . . . 162 457 . . 418.73172 . 8.179986425 . 114.3602771 . 59.16694008 . A 12 SER H A 12 SER N A 12-1 . CA 163 459 . . 285.3113403 . 8.181974916 . 114.3636936 . 28.9087979 . A 12 SER H A 12 SER N A 12-1 . CB 164 461 . . 2138.170166 . 8.123631388 . 113.938974 . 43.42583884 . A 48 SER H A 48 SER N A 48-1 . CA 165 462 . . 111.1761932 . 7.950228805 . 114.8428824 . 56.34708852 . A 61 ASN H A 61 ASN N A 61-1 . CA 166 469 . . 130.6928864 . 7.947893405 . 114.8606053 . 26.7628332 . A 61 ASN H A 61 ASN N A 61-1 . CB 167 472 . . 8.325922012 . 7.944528012 . 114.8527014 . 34.41828993 . A 61 ASN H A 61 ASN N A 61 ASN CB 168 474 . . 272.421875 . 7.96291474 . 113.7387384 . 52.87676963 . A 167 ASN H A 167 ASN N A 167-1 . CA 169 477 . . 498.5306702 . 7.963430201 . 113.7446763 . 38.03378587 . A 167 ASN H A 167 ASN N A 167-1 . CB 170 478 . . 91.79039001 . 7.740137488 . 113.9982366 . 67.99307373 . A 144 LYS H A 144 LYS N A 144-1 . CB 171 479 . . 89.42214203 . 7.736394438 . 114.020111 . 56.36877768 . A 144 LYS H A 144 LYS N A 144-1 . CA 172 480 . . 92.98830414 . 7.784632965 . 116.6345653 . 55.05716649 . A 171 SER H A 171 SER N A 171-1 . CA 173 481 . . 109.2775879 . 7.791450361 . 116.605759 . 38.74982269 . A 171 SER H A 171 SER N A 171-1 . CB 174 482 . . 180.171463 . 7.837724552 . 116.1120036 . 51.72468684 . A 22 PHE H A 22 PHE N A 22-1 . CA 175 491 . . -33.29136276 . 7.739821613 . 115.0621837 . 52.41593902 . . . . . . . . . . . . . 176 492 . . 136.1681061 . 7.754045307 . 115.3720652 . 51.4212034 . A 76 GLN H A 76 GLN N A 76-1 . CA 177 496 . . 251.768219 . 7.750455757 . 115.3526447 . 38.18233089 . A 76 GLN H A 76 GLN N A 76-1 . CB 178 503 . . 163.3460083 . 8.010825295 . 115.9970583 . 54.96735192 . A 75 ASP H A 75 ASP N A 75-1 . CA 179 504 . . 166.023941 . 8.01039723 . 115.9981282 . 25.32488172 . A 75 ASP H A 75 ASP N A 75-1 . CB 180 505 . . 208.6887207 . 7.520583279 . 115.8540422 . 44.66880907 . A 39 ASN H A 39 ASN N A 39-1 . CA 181 507 . . 401.7119446 . 7.594591667 . 115.1625741 . 55.01178434 . A 14 LEU H A 14 LEU N A 14-1 . CA 182 510 . . 327.697876 . 7.593822257 . 115.1742011 . 38.02458922 . A 14 LEU H A 14 LEU N A 14-1 . CB 183 511 . . 374.0971985 . 7.254998954 . 113.6459874 . 55.28095252 . A 145 GLU H A 145 GLU N A 145-1 . CA 184 512 . . 212.1144714 . 7.256260733 . 113.6453096 . 30.25137215 . A 145 GLU H A 145 GLU N A 145-1 . CB 185 517 . . 427.6604004 . 7.745673227 . 112.1454335 . 55.00572908 . A 45 THR H A 45 THR N A 45-1 . CA 186 519 . . 413.4438477 . 7.745454822 . 112.1541223 . 29.95768442 . A 45 THR H A 45 THR N A 45-1 . CB 187 522 . . 250.8176575 . 7.796598464 . 111.9699271 . 54.80904876 . A 107 SER H A 107 SER N A 107-1 . CA 188 523 . . 195.6556244 . 7.795876913 . 111.966477 . 27.80112874 . A 107 SER H A 107 SER N A 107-1 . CB 189 524 . . 428.9981079 . 7.370033568 . 110.8747631 . 53.84646387 . A 15 THR H A 15 THR N A 15-1 . CA 190 525 . . 414.3480835 . 7.370846942 . 110.8882794 . 39.04986834 . A 15 THR H A 15 THR N A 15-1 . CB 191 538 . . 126.6680222 . 8.172019998 . 119.6532271 . 56.46312378 . A 160 SER H A 160 SER N A 160-1 . CA 192 539 . . 86.24607849 . 8.174864125 . 119.5787207 . 29.15966251 . A 160 SER H A 160 SER N A 160-1 . CB 193 540 . . 173.2438507 . 8.015293363 . 118.4679829 . 52.66813325 . A 133 GLN H A 133 GLN N A 133-1 . CA 194 541 . . 140.1663208 . 8.016267191 . 118.4741485 . 32.32139659 . A 133 GLN H A 133 GLN N A 133-1 . CB 195 543 . . 12997.63184 . 8.28474303 . 116.4714994 . 51.90251672 . @- @178 . H @- @178 . N @- @178-1 . CA 196 545 . . 20317.60156 . 8.284755774 . 116.471705 . 38.64521123 . @- @178 . H @- @178 . N @- @178-1 . CB 197 547 . . 373.540741 . 8.332011105 . 116.3409574 . 34.38150217 . A 79 ARG H A 79 ARG N A 79-1 . CB 198 548 . . 199.8616486 . 8.339614903 . 116.2909236 . 51.6948768 . A 79 ARG H A 79 ARG N A 79-1 . CA 199 550 . . 718.4329224 . 8.207771589 . 115.8460664 . 51.91995822 . '#170' 701 SER H '#170' 701 SER N '#170' 701-1 . CA 200 551 . . 1075.63501 . 8.207671099 . 115.8459024 . 38.65552251 . '#170' 701 SER H '#170' 701 SER N '#170' 701-1 . CB 201 552 . . 1123.377319 . 8.252764285 . 115.579257 . 61.05274332 . A 89 SER H A 89 SER N A 89-1 . CB 202 555 . . 251.7015839 . 8.249907421 . 115.8106386 . 52.36849671 . A 89 SER H A 89 SER N A 89-1 . CA 203 556 . . 76.75799561 . 8.312290063 . 115.5267754 . 56.33500512 . '#173' @183 . H '#173' @183 . N '#173' @183-1 . CA 204 559 . . 19397.81055 . 8.183817976 . 115.4323388 . 61.12896224 . A 4 THR H A 4 THR N A 4-1 . CB 205 561 . . 10766.50488 . 8.1838554 . 115.4308156 . 56.04007545 . A 4 THR H A 4 THR N A 4-1 . CA 206 562 . . 19376.46094 . 8.613534087 . 119.2280901 . 61.041905 . '#170' @189 . H '#170' @189 . N '#170' @189-1 . CA 207 564 . . 13400.21191 . 8.613538065 . 119.2273632 . 29.58763897 . '#170' @189 . H '#170' @189 . N '#170' @189-1 . CB 208 569 . . 105.9709625 . 8.379464166 . 117.9001659 . 37.5947968 . A 155 THR H A 155 THR N A 155-1 . CB 209 571 . . 380.1070557 . 8.487130682 . 117.3445778 . 62.74258845 . A 149 GLU H A 149 GLU N A 149-1 . CA 210 573 . . 268.0601807 . 8.487533979 . 117.3445312 . 29.04091584 . A 149 GLU H A 149 GLU N A 149-1 . CB 211 574 . . 739.034668 . 8.395063059 . 117.0477481 . 51.64806403 . A 3 SER H A 3 SER N A 3-1 . CA 212 576 . . 1191.434692 . 8.395229117 . 117.0498118 . 38.67353176 . A 3 SER H A 3 SER N A 3-1 . CB 213 578 . . 246.6451263 . 8.483262028 . 119.2086421 . 50.99506585 . A 165 ASP H A 165 ASP N A 165-1 . CA 214 579 . . 160.9905243 . 8.482403112 . 119.2117558 . 32.08616588 . A 165 ASP H A 165 ASP N A 165-1 . CB 215 580 . . 52.27030945 . 9.071636225 . 121.6027487 . 54.00354596 . A 65 ASN H A 65 ASN N A 65-1 . CA 216 581 . . 71.37277222 . 9.073336961 . 121.6733813 . 40.22482589 . A 65 ASN H A 65 ASN N A 65-1 . CB 217 586 . . 89.42250061 . 9.028662134 . 121.4530206 . 58.68156487 . A 169 ILE H A 169 ILE N A 169-1 . CA 218 589 . . 26.69269562 . 9.046264503 . 121.6342173 . 40.4148164 . . . . . . . . . . . . . 219 590 . . 36.87553406 . 9.025665156 . 121.5193489 . 37.83585944 . A 169 ILE H A 169 ILE N A 169-1 . CB 220 598 . . 118.6391296 . 8.9906945 . 120.81404 . 67.27415905 . A 129 SER H A 129 SER N A 129-1 . CB 221 599 . . 104.9678345 . 8.994107769 . 120.8558567 . 58.29888289 . A 129 SER H A 129 SER N A 129-1 . CA 222 600 . . 392.6982727 . 9.034911321 . 119.9197105 . 60.26952665 . A 25 ASP H A 25 ASP N A 25-1 . CB 223 603 . . 166.8214111 . 9.034244057 . 119.9311257 . 57.58252776 . A 25 ASP H A 25 ASP N A 25-1 . CA 224 604 . . 118.4677887 . 8.903478526 . 120.4467033 . 57.06603921 . A 170 PHE H A 170 PHE N A 170-1 . CA 225 605 . . 94.40105438 . 8.899908841 . 120.4366418 . 40.88584557 . A 170 PHE H A 170 PHE N A 170-1 . CB 226 606 . . 204.4400635 . 8.809059426 . 119.9931438 . 55.93713174 . A 44 LYS H A 44 LYS N A 44-1 . CA 227 607 . . 178.1880646 . 8.807934351 . 119.9673399 . 30.33836677 . A 44 LYS H A 44 LYS N A 44-1 . CB 228 608 . . 90.10894775 . 8.750985644 . 122.2065135 . 55.85072366 . A 33 VAL H A 33 VAL N A 33-1 . CA 229 609 . . 65.7897644 . 8.743169697 . 122.2114082 . 36.81866653 . A 33 VAL H A 33 VAL N A 33-1 . CB 230 610 . . 133.1355896 . 8.824420666 . 122.1569872 . 49.45790277 . A 24 SER H A 24 SER N A 24-1 . CA 231 612 . . 97.04270935 . 8.825877341 . 122.0964835 . 26.95142938 . A 24 SER H A 24 SER N A 24-1 . CB 232 614 . . 83.52627563 . 8.891438221 . 121.6077277 . 53.81505622 . A 121 ALA H A 121 ALA N A 121-1 . CA 233 615 . . 84.22898102 . 8.887031055 . 121.554235 . 43.48790897 . A 121 ALA H A 121 ALA N A 121-1 . CB 234 618 . . 251.5669556 . 8.554564303 . 122.5839011 . 56.10144633 . A 158 ALA H A 158 ALA N A 158-1 . CA 235 619 . . 181.2510071 . 8.551883527 . 122.5767316 . 35.90117574 . A 158 ALA H A 158 ALA N A 158-1 . CB 236 621 . . 95.62569427 . 8.549406742 . 122.1578623 . 62.09390056 . '#172' @203 . H '#172' @203 . N '#172' @203-1 . CA 237 622 . . 38.86209869 . 8.542348802 . 122.1245156 . 36.84063331 . '#172' @203 . H '#172' @203 . N '#172' @203-1 . CB 238 623 . . 114.2148132 . 8.723770454 . 120.9286127 . 50.39472199 . A 119 GLN H A 119 GLN N A 119-1 . CA 239 625 . . 246.3659668 . 8.72975965 . 120.8906859 . 37.00482892 . A 119 GLN H A 119 GLN N A 119-1 . CB 240 626 . . 225.8195496 . 8.671926834 . 120.6639389 . 60.14468714 . A 21 ASP H A 21 ASP N A 21-1 . CA 241 628 . . 199.1930542 . 8.672879153 . 120.6635932 . 29.60488845 . A 21 ASP H A 21 ASP N A 21-1 . CB 242 630 . . 1125.969971 . 8.442782209 . 122.1221016 . 53.58243255 . A 2 ASP H A 2 ASP N A 2-1 . CA 243 632 . . 1021.840332 . 8.44285104 . 122.1247965 . 26.62591029 . A 2 ASP H A 2 ASP N A 2-1 . CB 244 633 . . 247.729187 . 8.402523466 . 121.8400945 . 29.7691926 . A 146 LEU H A 146 LEU N A 146-1 . CB 245 634 . . 195.4511414 . 8.400726315 . 121.8322228 . 51.78411352 . A 146 LEU H A 146 LEU N A 146-1 . CA 246 635 . . 253.5814056 . 8.518135664 . 121.1098633 . 41.13536596 . A 30 ARG H A 30 ARG N A 30-1 . CA 247 636 . . 143.1217346 . 8.463672919 . 120.8454741 . 50.66604635 . A 110 VAL H A 110 VAL N A 110-1 . CA 248 637 . . 157.7965546 . 8.463853802 . 120.8260674 . 41.71549847 . A 110 VAL H A 110 VAL N A 110-1 . CB 249 639 . . 6097.309082 . 8.32605598 . 120.295146 . 53.22064865 . A 6 ASN H A 6 ASN N A 6-1 . CA 250 642 . . 6062.375488 . 8.326080244 . 120.2932876 . 26.86182146 . A 6 ASN H A 6 ASN N A 6-1 . CB 251 646 . . 9456.852539 . 8.157362678 . 121.9663089 . 66.90682344 . A 5 GLN H A 5 GLN N A 5-1 . CB 252 648 . . 9152.331055 . 8.157336343 . 121.9686717 . 59.76110762 . A 5 GLN H A 5 GLN N A 5-1 . CA 253 650 . . 862.4019165 . 8.082767956 . 121.6647703 . 66.62129081 . A 46 GLU H A 46 GLU N A 46-1 . CB 254 651 . . 646.7954102 . 8.083359857 . 121.6418057 . 60.49378963 . A 46 GLU H A 46 GLU N A 46-1 . CA 255 653 . . 18671.75977 . 8.056184662 . 121.0129874 . 53.3485064 . '#170' @218 . H '#170' @218 . N '#170' @218-1 . CA 256 656 . . 17294.38867 . 8.056168262 . 121.0126418 . 26.40833398 . '#170' @218 . H '#170' @218 . N '#170' @218-1 . CB 257 660 . . -69.71928406 . 7.996010441 . 121.003308 . 54.1489308 . . . . . . . . . . . . . 258 664 . . 837.2290649 . 7.983077028 . 120.8511994 . 35.18323947 . A 132 LYS H A 132 LYS N A 131 ASN CB 259 665 . . 70.31415558 . 7.9857554 . 134.3715917 . 61.29778958 . A 113 ALA H A 113 ALA N A 113-1 . CA 260 666 . . 42.33504486 . 7.988890678 . 134.2746275 . 27.59253619 . A 113 ALA H A 113 ALA N A 113-1 . CB 261 669 . . 39.69740295 . 9.362135864 . 127.1138273 . 50.42497554 . A 140 TYR H A 140 TYR N A 140-1 . CA 262 670 . . 32.73111343 . 9.443576106 . 126.9969904 . 59.09837253 . A 55 ILE H A 55 ILE N A 55-1 . CA 263 671 . . 43.29840851 . 8.872828489 . 131.5283169 . 62.08100955 . A 34 VAL H A 34 VAL N A 34-1 . CA 264 672 . . 15.70494747 . 8.683300117 . 126.6037186 . 58.28992169 . A 127 LYS H A 127 LYS N A 127-1 . CA 265 673 . . 65.26404572 . 8.594573907 . 114.4757988 . 51.64218801 . A 53 SER H A 53 SER N A 53-1 . CA 266 674 . . 212.640564 . 7.432325899 . 110.8181161 . 52.8153602 . A 63 SER H A 63 SER N A 63-1 . CA 267 675 . . 271.7817383 . 7.980880883 . 120.8605856 . 52.24980521 . A 132 LYS H A 132 LYS N A 132-1 . CA 268 676 . . 23.12368965 . 8.567203598 . 125.0569718 . 58.72063574 . A 67 THR H A 67 THR N A 67-1 . CA 269 677 . . 17.50947762 . 8.566138253 . 125.0569718 . 29.53948612 . A 67 THR H A 67 THR N A 67-1 . CB 270 679 . . 17.95363998 . 8.917166293 . 115.6055536 . 50.07118648 . . . . . . . . . . . . . 271 681 . . 15.19598389 . 8.677699914 . 128.35989 . 52.86911746 . @- @33 . H @- @33 . N @- @33-1 . CA 272 683 . . 4.772367954 . 8.672486803 . 128.35989 . 58.23807283 . @- @33 . H @- @33 . N @- @33 . CA 273 684 . . -0.924772501 . 8.674301194 . 128.35989 . 37.86347187 . @- @33 . H @- @33 . N @- @33 . CB 274 685 . . 12.60143661 . 9.436684803 . 124.1322597 . 58.81478336 . A 68 SER H A 68 SER N A 68-1 . CA 275 687 . . 22.63245773 . 9.040981604 . 126.4211413 . 53.74693961 . @- @49 . H @- @49 . N @- @49-1 . CA 276 689 . . 162.2956848 . 8.831502374 . 125.7255582 . 55.58988885 . A 108 TYR H A 108 TYR N A 108-1 . CA 277 690 . . 21.75429344 . 8.829635686 . 125.7255582 . 39.0183734 . A 108 TYR H A 108 TYR N A 108 TYR CB 278 691 . . 341.7487183 . 8.830741345 . 125.7255582 . 62.25092992 . A 108 TYR H A 108 TYR N A 108-1 . CB 279 692 . . 82.9333725 . 6.524063591 . 111.008087 . 32.90585781 . . . . . . . . . . . . . 280 693 . . 42.3168602 . 6.52402664 . 111.008087 . 27.68640618 . . . . . . . . . . . . . 281 694 . . 13.48151207 . 6.525566556 . 111.008087 . 64.88714236 . . . . . . . . . . . . . 282 695 . . 90.21547699 . 6.559254783 . 110.1692816 . 31.56734946 . . . . . . . . . . . . . 283 696 . . 30.14675331 . 6.557718212 . 110.1692816 . 26.12121739 . . . . . . . . . . . . . 284 697 . . 660.4754639 . 7.839227929 . 116.0851949 . 37.27151527 . A 22 PHE H A 22 PHE N A 22-1 . CB 285 698 . . 42.12859344 . 7.838973092 . 116.0839946 . 36.65845142 . A 22 PHE H A 22 PHE N A 22 PHE CB 286 709 . . -0.6163517833 . 6.954991497 . 110.6466805 . 63.58702026 . . . . . . . . . . . . . 287 710 . . 1.816622853 . 6.954704056 . 110.6466805 . 26.26278433 . . . . . . . . . . . . . 288 711 . . 27.74488068 . 6.954680352 . 110.6466805 . 31.50205726 . . . . . . . . . . . . . 289 712 . . -4.785273075 . 8.334484846 . 116.2877434 . 29.91159414 . A 79 ARG H A 79 ARG N A 79 ARG CB 290 713 . . 140.447052 . 8.385050809 . 117.864844 . 57.98274266 . A 155 THR H A 155 THR N A 155-1 . CA 291 714 . . 76.81041718 . 9.00420209 . 120.4100738 . 53.18806026 . @- @194 . H @- @194 . N @- @194-1 . CA 292 715 . . -18.80186462 . 9.005585987 . 120.4100738 . 51.59544843 . @- @194 . H @- @194 . N @- @194 . CA 293 718 . . -5.75095892 . 8.414137379 . 120.807955 . 58.33333103 . A 102 TYR H A 102 TYR N A 102 TYR CA 294 719 . . 67.50238037 . 8.413393176 . 120.807955 . 51.99434137 . A 102 TYR H A 102 TYR N A 102-1 . CA 295 720 . . 68.61902618 . 8.41116866 . 120.807955 . 33.95197917 . A 102 TYR H A 102 TYR N A 102-1 . CB 296 721 . . -7.432291031 . 8.414948688 . 120.807955 . 38.59262785 . A 102 TYR H A 102 TYR N A 102 TYR CB 297 722 . . 68.79217529 . 8.374464179 . 120.1183896 . 64.78657522 . A 156 ARG H A 156 ARG N A 156-1 . CA 298 723 . . 106.3958511 . 8.373715532 . 120.1183896 . 65.85619201 . A 156 ARG H A 156 ARG N A 156-1 . CB 299 724 . . 138.0946503 . 7.945333008 . 120.8571621 . 57.35887566 . A 115 THR H A 115 THR N A 115 THR CA 300 725 . . 145.1176453 . 7.946681971 . 120.8571621 . 57.11832689 . A 115 THR H A 115 THR N A 115-1 . CA 301 726 . . 243.8514709 . 7.944980811 . 120.8571621 . 66.12706074 . A 115 THR H A 115 THR N A 115-1 . CB 302 727 . . 52.37627411 . 8.590104514 . 114.4757988 . 38.2051375 . A 53 SER H A 53 SER N A 53-1 . CB 303 728 . . 307.9440308 . 8.218691994 . 111.9248728 . 34.42671193 . A 62 ASN H A 62 ASN N A 61 ASN CB 304 729 . . 63.43051529 . 8.026213564 . 112.5172191 . 38.01036872 . A 166 ASP H A 166 ASP N A 166 ASP CB 305 730 . . 271.5550842 . 8.017163653 . 112.5172191 . 38.37476831 . A 166 ASP H A 166 ASP N A 165 ASP CB 306 731 . . 149.4266357 . 8.992478083 . 127.0949713 . 28.46802973 . A 43 LYS H A 43 LYS N A 43-1 . CB 307 732 . . 5.186248779 . 8.992478083 . 127.0949713 . 30.27166541 . A 43 LYS H A 43 LYS N A 43 LYS CB 308 733 . . 102.3469162 . 8.996228016 . 127.0949713 . 51.10649192 . A 43 LYS H A 43 LYS N A 43-1 . CA 309 734 . . -1.523029089 . 8.99693755 . 127.0949713 . 55.8404216 . A 43 LYS H A 43 LYS N A 43 LYS CA 310 735 . . 39.62816238 . 9.008043781 . 127.0949713 . 52.15481777 . A 101 ARG H A 101 ARG N A 101 ARG CA 311 736 . . 99.74237061 . 9.010706195 . 127.0949713 . 51.70789421 . A 101 ARG H A 101 ARG N A 101-1 . CA 312 737 . . -13.28998375 . 9.00711822 . 127.0949713 . 33.95890873 . A 101 ARG H A 101 ARG N A 101 ARG CB 313 738 . . 57.63986206 . 9.004759906 . 127.0949713 . 31.61734331 . A 101 ARG H A 101 ARG N A 101-1 . CB 314 739 . . 215.9431458 . 8.111171154 . 116.6083931 . 14.56444788 . A 159 LYS H A 159 LYS N A 159-1 . CB 315 740 . . -8.822851181 . 8.109165293 . 116.6083931 . 29.06827341 . A 159 LYS H A 159 LYS N A 159 LYS CB 316 741 . . 112.9009552 . 8.107444696 . 116.6083931 . 45.11489085 . A 147 SER H A 147 SER N A 147-1 . CB 317 742 . . 13.19040203 . 8.107132638 . 116.6083931 . 60.17380433 . A 147 SER H A 147 SER N A 147 SER CB 318 743 . . 0.9546914101 . 8.325249468 . 121.346806 . 26.29803908 . A 152 GLU H A 152 GLU N A 152 GLU CB 319 744 . . 126.5288925 . 8.325907914 . 121.346806 . 28.7031165 . A 152 GLU H A 152 GLU N A 152-1 . CB 320 745 . . 4.78009367 . 8.31476669 . 121.346806 . 37.49590614 . A 154 PHE H A 154 PHE N A 154 PHE CB 321 746 . . 145.6135559 . 8.317527337 . 121.346806 . 27.7418904 . A 154 PHE H A 154 PHE N A 154-1 . CB 322 747 . . -3.501387358 . 9.482581034 . 109.5650916 . 41.03897704 . A 29 GLY H A 29 GLY N A 29 GLY CA 323 748 . . 75.11683655 . 9.484825646 . 109.5650916 . 52.99698832 . A 29 GLY H A 29 GLY N A 29-1 . CA 324 749 . . 63.56987 . 9.483265092 . 109.5650916 . 28.66426431 . A 29 GLY H A 29 GLY N A 29-1 . CB 325 750 . . -3.742741585 . 9.29509313 . 124.2646194 . 51.86646862 . @- @566 . H @- @566 . N @- @566 . CA 326 751 . . 7.0044384 . 9.295171259 . 124.2646194 . 50.09812757 . @- @566 . H @- @566 . N @- @566-1 . CA 327 752 . . 2.714195251 . 9.291915085 . 124.2646194 . 30.66098845 . @- @566 . H @- @566 . N @- @566 . CB 328 753 . . -0.6001523137 . 8.174068591 . 115.7986496 . 59.29100144 . '#170' 702 THR H '#170' 702 THR N '#170' 702 THR CA 329 754 . . 2356.909424 . 8.174845858 . 115.7986496 . 61.12379106 . '#170' 702 THR H '#170' 702 THR N '#170' 702-1 . CB 330 755 . . 25.25915909 . 8.174586579 . 115.7986496 . 67.08900578 . '#170' 702 THR H '#170' 702 THR N '#170' 702 THR CB 331 756 . . 860.7159424 . 8.175225347 . 115.7986496 . 55.73180494 . '#170' 702 THR H '#170' 702 THR N '#170' 702-1 . CA 332 757 . . -7.669268608 . 8.804830453 . 127.0128407 . 57.60784006 . @- @583 . H @- @583 . N @- @583 . CA 333 758 . . -3.958647251 . 8.806654688 . 127.0128407 . 51.65234047 . @- @583 . H @- @583 . N @- @583-1 . CA 334 759 . . -2.196158409 . 8.805820335 . 127.0128407 . 36.73298709 . . . . . . . . . . . . . 335 760 . . -2.602521896 . 8.338245033 . 117.9053952 . 50.9284897 . A 164 LYS H A 164 LYS N A 164 LYS CA 336 761 . . 95.20095062 . 8.34076264 . 117.9053952 . 51.37809611 . A 164 LYS H A 164 LYS N A 164-1 . CA 337 762 . . 68.83315277 . 8.3431306 . 117.9053952 . 38.54141949 . A 164 LYS H A 164 LYS N A 164-1 . CB 338 763 . . 1.975513577 . 8.339695543 . 117.9053952 . 31.9563954 . A 164 LYS H A 164 LYS N A 164 LYS CB 339 764 . . -15.63777161 . 9.009270413 . 120.3972993 . 59.59846886 . A 71 VAL H A 71 VAL N A 71 VAL CA 340 765 . . 60.55698013 . 9.010006123 . 120.3972993 . 50.63898588 . A 71 VAL H A 71 VAL N A 71-1 . CA 341 767 . . -10.83769608 . 8.22514288 . 121.2158474 . 38.58235863 . A 73 ASP H A 73 ASP N A 73 ASP CB 342 768 . . 173.7979889 . 8.224834261 . 121.2158474 . 28.54265433 . A 73 ASP H A 73 ASP N A 73-1 . CB 343 769 . . -17.07827377 . 8.205751095 . 121.4144134 . 27.6874317 . A 153 ARG H A 153 ARG N A 153 ARG CB 344 770 . . 182.7213898 . 8.207640255 . 121.4144134 . 26.38036794 . A 153 ARG H A 153 ARG N A 153-1 . CB 345 771 . . 38.96005249 . 8.019283187 . 120.7536217 . 51.81906176 . @- @602 . H @- @602 . N @- @602 . CA 346 772 . . 1063.609741 . 8.019283187 . 120.7536217 . 53.34415382 . @- @602 . H @- @602 . N @- @602-1 . CA 347 773 . . 20.42630577 . 8.01762668 . 120.7536217 . 38.62430938 . @- @602 . H @- @602 . N @- @602 . CB 348 774 . . 836.1616821 . 8.018425889 . 120.7536217 . 26.27582868 . @- @602 . H @- @602 . N @- @602-1 . CB 349 775 . . -8.8086586 . 8.061634056 . 120.2565048 . 51.64185495 . @- @603 . H @- @603 . N @- @603 . CA 350 776 . . 297.2973328 . 8.063128146 . 120.2565048 . 53.24984882 . @- @603 . H @- @603 . N @- @603-1 . CA 351 777 . . -5.387845993 . 8.059777996 . 120.2565048 . 38.79629491 . @- @603 . H @- @603 . N @- @603 . CB 352 778 . . 195.5191498 . 8.058485945 . 120.2565048 . 26.40128793 . @- @603 . H @- @603 . N @- @603-1 . CB 353 779 . . 11.6373167 . 7.940640921 . 116.0036931 . 43.42792303 . @- @610 . H @- @610 . N @- @610 . CA 354 780 . . -6.717113495 . 8.455726808 . 116.6375262 . 55.8134546 . @- @635 . H @- @635 . N @- @635 . CA 355 781 . . 7.844537258 . 8.456655044 . 116.6375262 . 51.84096507 . @- @635 . H @- @635 . N @- @635-1 . CA 356 782 . . -2.345773458 . 8.456278191 . 116.6375262 . 61.07607522 . @- @635 . H @- @635 . N @- @635 . CB 357 783 . . 28.3249321 . 8.456078342 . 116.6375262 . 38.65276575 . @- @635 . H @- @635 . N @- @635-1 . CB 358 784 . . -5.057828426 . 9.28199391 . 126.4904975 . 49.89332903 . '#171' @718 . H '#171' @718 . N '#171' @718 . CA 359 785 . . 50.37287903 . 9.28414266 . 126.4904975 . 58.85250444 . '#171' @718 . H '#171' @718 . N '#171' @718-1 . CA 360 786 . . 55.73911667 . 9.283354279 . 126.4904975 . 68.79766853 . '#171' @718 . H '#171' @718 . N '#171' @718-1 . CB 361 787 . . 8.17622757 . 9.282446335 . 126.4904975 . 36.67266426 . '#171' @718 . H '#171' @718 . N '#171' @718 . CB 362 788 . . 8.814025879 . 8.435790188 . 126.8976679 . 56.22206144 . A 51 MET H A 51 MET N A 51 MET CA 363 789 . . 13.05879879 . 8.43757427 . 126.8976679 . 61.307383 . A 51 MET H A 51 MET N A 51-1 . CA 364 790 . . 30.08375549 . 8.435411584 . 126.8976679 . 65.83042843 . A 51 MET H A 51 MET N A 51-1 . CB 365 791 . . 9.124944687 . 8.428457607 . 126.8976679 . 32.80359096 . A 51 MET H A 51 MET N A 51 MET CB 366 792 . . 201.2262268 . 6.577962622 . 110.8257591 . 57.10140079 . A 28 ARG H A 28 ARG N A 28-1 . CA 367 793 . . 11.00878334 . 6.579540827 . 110.8257591 . 53.03639882 . A 28 ARG H A 28 ARG N A 28 ARG CA 368 794 . . 174.2615204 . 6.579225387 . 110.8257591 . 38.76881215 . A 28 ARG H A 28 ARG N A 28-1 . CB 369 795 . . 12.90174484 . 6.579225187 . 110.8257591 . 28.57768181 . A 28 ARG H A 28 ARG N A 28 ARG CB 370 796 . . 143.4583893 . 7.534305444 . 118.4513215 . 26.53028376 . '#173' @727 . H '#173' @727 . N '#173' @727-1 . CB 371 797 . . 5.38736248 . 7.537922739 . 118.4513215 . 53.89682297 . '#173' @727 . H '#173' @727 . N '#173' @727 . CA 372 798 . . 198.9928589 . 7.537345844 . 118.4513215 . 55.20484702 . '#173' @727 . H '#173' @727 . N '#173' @727-1 . CA 373 799 . . 16.78561401 . 7.422014969 . 119.0396351 . 57.13434071 . A 27 PHE H A 27 PHE N A 27 PHE CA 374 800 . . 112.6845703 . 7.420998312 . 119.0396351 . 53.96236935 . A 27 PHE H A 27 PHE N A 27-1 . CA 375 801 . . 12.79133987 . 7.42101868 . 119.0396351 . 38.69986937 . A 27 PHE H A 27 PHE N A 27 PHE CB 376 802 . . 53.17232513 . 7.421979754 . 119.0396351 . 26.26488969 . A 27 PHE H A 27 PHE N A 27-1 . CB 377 803 . . -1.099365234 . 7.421257973 . 119.0538015 . 30.11115853 . @- @809 . H @- @809 . N @- @809 . CB 378 804 . . -1.704989791 . 7.420569994 . 119.0538015 . 51.41437089 . @- @809 . H @- @809 . N @- @809 . CA 379 805 . . 51.470047 . 7.418507508 . 119.0538015 . 58.71767416 . @- @809 . H @- @809 . N @- @809-1 . CA 380 807 . . 108.73423 . 7.419195392 . 119.0538015 . 60.44619979 . @- @809 . H @- @809 . N @- @809-1 . CB 381 808 . . 4.764569283 . 8.740804886 . 121.5920841 . 31.65955578 . A 100 HIS H A 100 HIS N A 100 HIS CB 382 809 . . 1.034229636 . 8.742401656 . 121.6031575 . 26.71480045 . A 60 GLU H A 60 GLU N A 60 GLU CB 383 810 . . 46.91542053 . 8.741997536 . 121.6031575 . 27.87143789 . A 60 GLU H A 60 GLU N A 60-1 . CB 384 811 . . 62.6172142 . 8.742773556 . 121.6031575 . 39.14633966 . A 100 HIS H A 100 HIS N A 100-1 . CB 385 812 . . 41.4499054 . 9.010389242 . 120.3972993 . 42.43891211 . A 71 VAL H A 71 VAL N A 70 LEU CB 386 813 . . 46.87448502 . 9.009471115 . 120.3972993 . 39.80999118 . @- @194 . H @- @194 . N @- @194-1 . CB 387 814 . . 210.2538757 . 7.993242242 . 120.8586783 . 55.16194987 . A 49 PHE H A 49 PHE N A 49-1 . CA 388 815 . . 483.1642761 . 7.993565398 . 120.8586783 . 61.6258722 . A 49 PHE H A 49 PHE N A 49-1 . CB 389 816 . . 8.696350098 . 7.999630431 . 120.8586783 . 37.21166094 . A 49 PHE H A 49 PHE N A 49 PHE CB 390 817 . . 128.6403656 . 7.536247821 . 118.4513215 . 26.55693876 . '#173' @727 . H '#173' @727 . N '#173' @727 . CB 391 818 . . 9.315683365 . 9.004545057 . 120.3972993 . 30.00725589 . A 71 VAL H A 71 VAL N A 71 VAL CB 392 819 . . 1.697099209 . 9.008835458 . 120.3972993 . 34.53500534 . @- @194 . H @- @194 . N @- @194 . CB stop_ save_ # End of data_mLcn2_12_22_linux_final_cleaned ; 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 . 'not observed' 5.614 ppm . . . . . . 52144 7 2 . . N 15 NH . 'not observed' 32.303 ppm . . . . . . 52144 7 3 . . C 13 'CA, CB' . 'not observed' 70.038 ppm . . . . . . 52144 7 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 1 $software_1 . . 52144 7 stop_ save_