data_30765 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 30765 _Entry.Title ; Structural characterization of the type III secretion system pilotin-secretin complex InvH-InvG by NMR spectroscopy ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2020-06-15 _Entry.Accession_date 2020-06-15 _Entry.Last_release_date 2020-06-16 _Entry.Original_release_date 2020-06-16 _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 NMR' _Entry.Source_data_format . _Entry.Source_data_format_version . _Entry.Generated_software_name . _Entry.Generated_software_version . _Entry.Generated_software_ID . _Entry.Generated_software_label . _Entry.Generated_date . _Entry.DOI . _Entry.UUID . _Entry.Related_coordinate_file_name . _Entry.Details . _Entry.BMRB_internal_directory_name . loop_ _Entry_author.Ordinal _Entry_author.Given_name _Entry_author.Family_name _Entry_author.First_initial _Entry_author.Middle_initials _Entry_author.Family_title _Entry_author.ORCID _Entry_author.Entry_ID 1 D. Majewski D. D. . . 30765 2 M. Okon M. . . . 30765 3 F. Heinkel F. . . . 30765 4 C. Robb C. S. . . 30765 5 M. Vuckovic M. . . . 30765 6 L. McIntosh L. P. . . 30765 7 N. Strynadka N. C.J. . . 30765 stop_ loop_ _Struct_keywords.Keywords _Struct_keywords.Text _Struct_keywords.Entry_ID 'PROTEIN TRANSPORT' . 30765 chaperone . 30765 pilotin . 30765 secretin . 30765 'type III secretion' . 30765 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 30765 spectral_peak_list 9 30765 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 551 30765 '15N chemical shifts' 134 30765 '1H chemical shifts' 876 30765 stop_ loop_ _Release.Release_number _Release.Format_type _Release.Format_version _Release.Date _Release.Submission_date _Release.Type _Release.Author _Release.Detail _Release.Entry_ID 2 . . 2021-09-28 2020-06-16 update BMRB 'update entry citation' 30765 1 . . 2020-09-14 2020-06-16 original author 'original release' 30765 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 6XFL 'BMRB Entry Tracking System' 30765 stop_ save_ ############### # Citations # ############### save_citation_1 _Citation.Sf_category citations _Citation.Sf_framecode citation_1 _Citation.Entry_ID 30765 _Citation.ID 1 _Citation.Name . _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.PubMed_ID 32877645 _Citation.DOI . _Citation.Full_citation . _Citation.Title ; Characterization of the pilotin-secretin complex from the Salmonella enterica type III secretion system using hybrid structural methods ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev Structure _Citation.Journal_name_full . _Citation.Journal_volume 29 _Citation.Journal_issue 2 _Citation.Journal_ASTM . _Citation.Journal_ISSN . _Citation.Journal_CSD 0353 _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 125 _Citation.Page_last 138 _Citation.Year 2021 _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 D. Majewski D. D. . . 30765 1 2 M. Okon M. . . . 30765 1 3 F. Heinkel F. . . . 30765 1 4 C. Robb C. S. . . 30765 1 5 M. Vuckovic M. . . . 30765 1 6 L. McIntosh L. P. . . 30765 1 7 N. Strynadka N. C.J. . . 30765 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 30765 _Assembly.ID 1 _Assembly.Name 'Type 3 secretion system pilotin, Type 3 secretion system secretin' _Assembly.BMRB_code . _Assembly.Number_of_components . _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds . _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state . _Assembly.Molecular_mass . _Assembly.Enzyme_commission_number . _Assembly.Details . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Entity_assembly.ID _Entity_assembly.Entity_assembly_name _Entity_assembly.Entity_ID _Entity_assembly.Entity_label _Entity_assembly.Asym_ID _Entity_assembly.PDB_chain_ID _Entity_assembly.Experimental_data_reported _Entity_assembly.Physical_state _Entity_assembly.Conformational_isomer _Entity_assembly.Chemical_exchange_state _Entity_assembly.Magnetic_equivalence_group_code _Entity_assembly.Role _Entity_assembly.Details _Entity_assembly.Entry_ID _Entity_assembly.Assembly_ID 1 unit_1 1 $entity_1 A A yes . . . . . . 30765 1 2 unit_2 2 $entity_2 B B yes . . . . . . 30765 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity_1 _Entity.Sf_category entity _Entity.Sf_framecode entity_1 _Entity.Entry_ID 30765 _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 A _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; GSHMDNSASKNSAISSSIFC EKYKQTKEQALTFFQEHPQY MRSKEDEEQLMTEFKKVLLE PGSKNLSIYQTLLAAHERLQ AL ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states . _Entity.Ambiguous_chem_comp_sites . _Entity.Nstd_monomer no _Entity.Nstd_chirality . _Entity.Nstd_linkage no _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 82 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'all free' _Entity.Src_method man _Entity.Parent_entity_ID 1 _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 9453.652 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date . loop_ _Entity_common_name.Name _Entity_common_name.Type _Entity_common_name.Entry_ID _Entity_common_name.Entity_ID 'Invasion lipoprotein invH' common 30765 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 66 GLY . 30765 1 2 67 SER . 30765 1 3 68 HIS . 30765 1 4 69 MET . 30765 1 5 70 ASP . 30765 1 6 71 ASN . 30765 1 7 72 SER . 30765 1 8 73 ALA . 30765 1 9 74 SER . 30765 1 10 75 LYS . 30765 1 11 76 ASN . 30765 1 12 77 SER . 30765 1 13 78 ALA . 30765 1 14 79 ILE . 30765 1 15 80 SER . 30765 1 16 81 SER . 30765 1 17 82 SER . 30765 1 18 83 ILE . 30765 1 19 84 PHE . 30765 1 20 85 CYS . 30765 1 21 86 GLU . 30765 1 22 87 LYS . 30765 1 23 88 TYR . 30765 1 24 89 LYS . 30765 1 25 90 GLN . 30765 1 26 91 THR . 30765 1 27 92 LYS . 30765 1 28 93 GLU . 30765 1 29 94 GLN . 30765 1 30 95 ALA . 30765 1 31 96 LEU . 30765 1 32 97 THR . 30765 1 33 98 PHE . 30765 1 34 99 PHE . 30765 1 35 100 GLN . 30765 1 36 101 GLU . 30765 1 37 102 HIS . 30765 1 38 103 PRO . 30765 1 39 104 GLN . 30765 1 40 105 TYR . 30765 1 41 106 MET . 30765 1 42 107 ARG . 30765 1 43 108 SER . 30765 1 44 109 LYS . 30765 1 45 110 GLU . 30765 1 46 111 ASP . 30765 1 47 112 GLU . 30765 1 48 113 GLU . 30765 1 49 114 GLN . 30765 1 50 115 LEU . 30765 1 51 116 MET . 30765 1 52 117 THR . 30765 1 53 118 GLU . 30765 1 54 119 PHE . 30765 1 55 120 LYS . 30765 1 56 121 LYS . 30765 1 57 122 VAL . 30765 1 58 123 LEU . 30765 1 59 124 LEU . 30765 1 60 125 GLU . 30765 1 61 126 PRO . 30765 1 62 127 GLY . 30765 1 63 128 SER . 30765 1 64 129 LYS . 30765 1 65 130 ASN . 30765 1 66 131 LEU . 30765 1 67 132 SER . 30765 1 68 133 ILE . 30765 1 69 134 TYR . 30765 1 70 135 GLN . 30765 1 71 136 THR . 30765 1 72 137 LEU . 30765 1 73 138 LEU . 30765 1 74 139 ALA . 30765 1 75 140 ALA . 30765 1 76 141 HIS . 30765 1 77 142 GLU . 30765 1 78 143 ARG . 30765 1 79 144 LEU . 30765 1 80 145 GLN . 30765 1 81 146 ALA . 30765 1 82 147 LEU . 30765 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 . GLY 1 1 30765 1 . SER 2 2 30765 1 . HIS 3 3 30765 1 . MET 4 4 30765 1 . ASP 5 5 30765 1 . ASN 6 6 30765 1 . SER 7 7 30765 1 . ALA 8 8 30765 1 . SER 9 9 30765 1 . LYS 10 10 30765 1 . ASN 11 11 30765 1 . SER 12 12 30765 1 . ALA 13 13 30765 1 . ILE 14 14 30765 1 . SER 15 15 30765 1 . SER 16 16 30765 1 . SER 17 17 30765 1 . ILE 18 18 30765 1 . PHE 19 19 30765 1 . CYS 20 20 30765 1 . GLU 21 21 30765 1 . LYS 22 22 30765 1 . TYR 23 23 30765 1 . LYS 24 24 30765 1 . GLN 25 25 30765 1 . THR 26 26 30765 1 . LYS 27 27 30765 1 . GLU 28 28 30765 1 . GLN 29 29 30765 1 . ALA 30 30 30765 1 . LEU 31 31 30765 1 . THR 32 32 30765 1 . PHE 33 33 30765 1 . PHE 34 34 30765 1 . GLN 35 35 30765 1 . GLU 36 36 30765 1 . HIS 37 37 30765 1 . PRO 38 38 30765 1 . GLN 39 39 30765 1 . TYR 40 40 30765 1 . MET 41 41 30765 1 . ARG 42 42 30765 1 . SER 43 43 30765 1 . LYS 44 44 30765 1 . GLU 45 45 30765 1 . ASP 46 46 30765 1 . GLU 47 47 30765 1 . GLU 48 48 30765 1 . GLN 49 49 30765 1 . LEU 50 50 30765 1 . MET 51 51 30765 1 . THR 52 52 30765 1 . GLU 53 53 30765 1 . PHE 54 54 30765 1 . LYS 55 55 30765 1 . LYS 56 56 30765 1 . VAL 57 57 30765 1 . LEU 58 58 30765 1 . LEU 59 59 30765 1 . GLU 60 60 30765 1 . PRO 61 61 30765 1 . GLY 62 62 30765 1 . SER 63 63 30765 1 . LYS 64 64 30765 1 . ASN 65 65 30765 1 . LEU 66 66 30765 1 . SER 67 67 30765 1 . ILE 68 68 30765 1 . TYR 69 69 30765 1 . GLN 70 70 30765 1 . THR 71 71 30765 1 . LEU 72 72 30765 1 . LEU 73 73 30765 1 . ALA 74 74 30765 1 . ALA 75 75 30765 1 . HIS 76 76 30765 1 . GLU 77 77 30765 1 . ARG 78 78 30765 1 . LEU 79 79 30765 1 . GLN 80 80 30765 1 . ALA 81 81 30765 1 . LEU 82 82 30765 1 stop_ save_ save_entity_2 _Entity.Sf_category entity _Entity.Sf_framecode entity_2 _Entity.Entry_ID 30765 _Entity.ID 2 _Entity.BMRB_code . _Entity.Name entity_2 _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID B _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; GSHMDPLTPDASESVNNILK QSGAWSGDDKLQKWVRVYLD RGQEAIK ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states . _Entity.Ambiguous_chem_comp_sites . _Entity.Nstd_monomer no _Entity.Nstd_chirality . _Entity.Nstd_linkage no _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 47 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'not present' _Entity.Src_method man _Entity.Parent_entity_ID 2 _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 5248.818 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date . loop_ _Entity_common_name.Name _Entity_common_name.Type _Entity_common_name.Entry_ID _Entity_common_name.Entity_ID 'Protein InvG' common 30765 2 'T3SS secretin' common 30765 2 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 1 516 GLY . 30765 2 2 517 SER . 30765 2 3 518 HIS . 30765 2 4 519 MET . 30765 2 5 520 ASP . 30765 2 6 521 PRO . 30765 2 7 522 LEU . 30765 2 8 523 THR . 30765 2 9 524 PRO . 30765 2 10 525 ASP . 30765 2 11 526 ALA . 30765 2 12 527 SER . 30765 2 13 528 GLU . 30765 2 14 529 SER . 30765 2 15 530 VAL . 30765 2 16 531 ASN . 30765 2 17 532 ASN . 30765 2 18 533 ILE . 30765 2 19 534 LEU . 30765 2 20 535 LYS . 30765 2 21 536 GLN . 30765 2 22 537 SER . 30765 2 23 538 GLY . 30765 2 24 539 ALA . 30765 2 25 540 TRP . 30765 2 26 541 SER . 30765 2 27 542 GLY . 30765 2 28 543 ASP . 30765 2 29 544 ASP . 30765 2 30 545 LYS . 30765 2 31 546 LEU . 30765 2 32 547 GLN . 30765 2 33 548 LYS . 30765 2 34 549 TRP . 30765 2 35 550 VAL . 30765 2 36 551 ARG . 30765 2 37 552 VAL . 30765 2 38 553 TYR . 30765 2 39 554 LEU . 30765 2 40 555 ASP . 30765 2 41 556 ARG . 30765 2 42 557 GLY . 30765 2 43 558 GLN . 30765 2 44 559 GLU . 30765 2 45 560 ALA . 30765 2 46 561 ILE . 30765 2 47 562 LYS . 30765 2 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 . GLY 1 1 30765 2 . SER 2 2 30765 2 . HIS 3 3 30765 2 . MET 4 4 30765 2 . ASP 5 5 30765 2 . PRO 6 6 30765 2 . LEU 7 7 30765 2 . THR 8 8 30765 2 . PRO 9 9 30765 2 . ASP 10 10 30765 2 . ALA 11 11 30765 2 . SER 12 12 30765 2 . GLU 13 13 30765 2 . SER 14 14 30765 2 . VAL 15 15 30765 2 . ASN 16 16 30765 2 . ASN 17 17 30765 2 . ILE 18 18 30765 2 . LEU 19 19 30765 2 . LYS 20 20 30765 2 . GLN 21 21 30765 2 . SER 22 22 30765 2 . GLY 23 23 30765 2 . ALA 24 24 30765 2 . TRP 25 25 30765 2 . SER 26 26 30765 2 . GLY 27 27 30765 2 . ASP 28 28 30765 2 . ASP 29 29 30765 2 . LYS 30 30 30765 2 . LEU 31 31 30765 2 . GLN 32 32 30765 2 . LYS 33 33 30765 2 . TRP 34 34 30765 2 . VAL 35 35 30765 2 . ARG 36 36 30765 2 . VAL 37 37 30765 2 . TYR 38 38 30765 2 . LEU 39 39 30765 2 . ASP 40 40 30765 2 . ARG 41 41 30765 2 . GLY 42 42 30765 2 . GLN 43 43 30765 2 . GLU 44 44 30765 2 . ALA 45 45 30765 2 . ILE 46 46 30765 2 . LYS 47 47 30765 2 stop_ save_ #################### # Natural source # #################### save_natural_source _Entity_natural_src_list.Sf_category natural_source _Entity_natural_src_list.Sf_framecode natural_source _Entity_natural_src_list.Entry_ID 30765 _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 . 99287 organism . 'Salmonella typhimurium (strain LT2 / SGSC1412 / ATCC 700720)' 'Salmonella enterica' . . Bacteria . Salmonella enterica 'LT2 / SGSC1412 / ATCC 700720' . . . . . . . . . . 'invH, sctG, STM2900' . 30765 1 2 2 $entity_2 . 99287 organism . 'Salmonella typhimurium (strain LT2 / SGSC1412 / ATCC 700720)' 'Salmonella enterica' . . Bacteria . Salmonella enterica 'LT2 / SGSC1412 / ATCC 700720' . . . . . . . . . . 'sctC, invG, STM2898' . 30765 1 stop_ save_ ######################### # Experimental source # ######################### save_experimental_source _Entity_experimental_src_list.Sf_category experimental_source _Entity_experimental_src_list.Sf_framecode experimental_source _Entity_experimental_src_list.Entry_ID 30765 _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 BL21(DE3)' . . 469008 . . . . . . . . . . . . 30765 1 2 2 $entity_2 . 'recombinant technology' 'Escherichia coli BL21(DE3)' . . 469008 . . . . . . . . . . . . 30765 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 30765 _Sample.ID 1 _Sample.Name . _Sample.Type solution _Sample.Sub_type . _Sample.Details '20 mM NA- MOPS, 150 mM NA- sodium chloride, 0.2 mM NA- TCEP, 10 % v/v NA- D2O, 90% H2O/10% D2O' _Sample.Aggregate_sample_number . _Sample.Solvent_system '90% H2O/10% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 entity_1 '[U-13C; U-15N]' . . 1 $entity_1 . . 0.5 . . mM . . . . 30765 1 2 entity_2 '[U-13C; U-15N]' . . 2 $entity_2 . . 0.5 . . mM . . . . 30765 1 3 MOPS 'natural abundance' . . . . . . 20 . . mM . . . . 30765 1 4 'sodium chloride' 'natural abundance' . . . . . . 150 . . mM . . . . 30765 1 5 TCEP 'natural abundance' . . . . . . 0.2 . . mM . . . . 30765 1 6 D2O 'natural abundance' . . . . . . 10 . . '% v/v' . . . . 30765 1 stop_ save_ save_sample_2 _Sample.Sf_category sample _Sample.Sf_framecode sample_2 _Sample.Entry_ID 30765 _Sample.ID 2 _Sample.Name . _Sample.Type solution _Sample.Sub_type . _Sample.Details '20 mM NA- MOPS, 150 mM NA- sodium chloride, 0.2 mM NA- TCEP, 10 % v/v NA- D2O, 90% H2O/10% D2O' _Sample.Aggregate_sample_number . _Sample.Solvent_system '90% H2O/10% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 entity_1 '[U-13C; U-15N]' . . 1 $entity_1 . . 0.5 . . mM . . . . 30765 2 2 entity_2 '[U-13C; U-15N]' . . 2 $entity_2 . . 0.5 . . mM . . . . 30765 2 3 MOPS 'natural abundance' . . . . . . 20 . . mM . . . . 30765 2 4 'sodium chloride' 'natural abundance' . . . . . . 150 . . mM . . . . 30765 2 5 TCEP 'natural abundance' . . . . . . 0.2 . . mM . . . . 30765 2 6 D2O 'natural abundance' . . . . . . 10 . . '% v/v' . . . . 30765 2 stop_ save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode sample_conditions_1 _Sample_condition_list.Entry_ID 30765 _Sample_condition_list.ID 1 _Sample_condition_list.Name . _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID 'ionic strength' 150 . mM 30765 1 pH 6.5 . pH 30765 1 pressure 1 . atm 30765 1 temperature 298 . K 30765 1 stop_ save_ ############################ # Computer software used # ############################ save_software_1 _Software.Sf_category software _Software.Sf_framecode software_1 _Software.Entry_ID 30765 _Software.ID 1 _Software.Type . _Software.Name CYANA _Software.Version 3.98.13 _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Guntert P.' . . 30765 1 'Guntert, Mumenthaler and Wuthrich' . . 30765 1 stop_ loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID refinement . 30765 1 'structure calculation' . 30765 1 stop_ save_ save_software_2 _Software.Sf_category software _Software.Sf_framecode software_2 _Software.Entry_ID 30765 _Software.ID 2 _Software.Type . _Software.Name NMRFAM-SPARKY _Software.Version . _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Lee W, Tonelli M, Markley JL' . . 30765 2 stop_ loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' . 30765 2 'peak picking' . 30765 2 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 30765 _NMR_spectrometer.ID 1 _NMR_spectrometer.Name . _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model AVANCE _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 500 save_ save_NMR_spectrometer_2 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer_2 _NMR_spectrometer.Entry_ID 30765 _NMR_spectrometer.ID 2 _NMR_spectrometer.Name . _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model AVANCE _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 850 save_ save_NMR_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode NMR_spectrometer_list _NMR_spectrometer_list.Entry_ID 30765 _NMR_spectrometer_list.ID 1 _NMR_spectrometer_list.Name . loop_ _NMR_spectrometer_view.ID _NMR_spectrometer_view.Name _NMR_spectrometer_view.Manufacturer _NMR_spectrometer_view.Model _NMR_spectrometer_view.Serial_number _NMR_spectrometer_view.Field_strength _NMR_spectrometer_view.Details _NMR_spectrometer_view.Citation_ID _NMR_spectrometer_view.Citation_label _NMR_spectrometer_view.Entry_ID _NMR_spectrometer_view.NMR_spectrometer_list_ID 1 NMR_spectrometer_1 Bruker AVANCE . 500 . . . 30765 1 2 NMR_spectrometer_2 Bruker AVANCE . 850 . . . 30765 1 stop_ save_ ############################# # NMR applied experiments # ############################# save_experiment_list _Experiment_list.Sf_category experiment_list _Experiment_list.Sf_framecode experiment_list _Experiment_list.Entry_ID 30765 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NUS_flag _Experiment.Interleaved_flag _Experiment.NMR_spec_expt_ID _Experiment.NMR_spec_expt_label _Experiment.MS_expt_ID _Experiment.MS_expt_label _Experiment.SAXS_expt_ID _Experiment.SAXS_expt_label _Experiment.FRET_expt_ID _Experiment.FRET_expt_label _Experiment.EMR_expt_ID _Experiment.EMR_expt_label _Experiment.Sample_ID _Experiment.Sample_label _Experiment.Sample_state _Experiment.Sample_volume _Experiment.Sample_volume_units _Experiment.Sample_condition_list_ID _Experiment.Sample_condition_list_label _Experiment.Sample_spinning_rate _Experiment.Sample_angle _Experiment.NMR_tube_type _Experiment.NMR_spectrometer_ID _Experiment.NMR_spectrometer_label _Experiment.NMR_spectrometer_probe_ID _Experiment.NMR_spectrometer_probe_label _Experiment.NMR_spectral_processing_ID _Experiment.NMR_spectral_processing_label _Experiment.Mass_spectrometer_ID _Experiment.Mass_spectrometer_label _Experiment.Xray_instrument_ID _Experiment.Xray_instrument_label _Experiment.Fluorescence_instrument_ID _Experiment.Fluorescence_instrument_label _Experiment.EMR_instrument_ID _Experiment.EMR_instrument_label _Experiment.Chromatographic_system_ID _Experiment.Chromatographic_system_label _Experiment.Chromatographic_column_ID _Experiment.Chromatographic_column_label _Experiment.Details _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 '2D 1H-15N HSQC' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 30765 1 2 '3D HNCACB' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 30765 1 3 '3D CBCA(CO)NH' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 30765 1 4 '3D HN(CA)CO' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 30765 1 5 '3D HCCH-TOCSY' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 30765 1 6 '3D HNCO' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 30765 1 7 '3D HCC(CO)NH-TOCSY' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 30765 1 8 '3D hbCBcgcCH' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 30765 1 9 '3D hbCBcgcdceHE' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 30765 1 10 '3D hbCBcgcdHD' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 30765 1 11 '3D HBHA(CBCACO)NH' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 30765 1 12 '2D 1H-13C HSQC' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 30765 1 13 '3D 1H-15N NOESY' no . . . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 2 $NMR_spectrometer_2 . . . . . . . . . . . . . . . . . 30765 1 14 '3D 1H-13C NOESY aromatic' no . . . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 2 $NMR_spectrometer_2 . . . . . . . . . . . . . . . . . 30765 1 15 '3D HNCACB' no . . . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 2 $NMR_spectrometer_2 . . . . . . . . . . . . . . . . . 30765 1 16 '3D HNCO' no . . . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 2 $NMR_spectrometer_2 . . . . . . . . . . . . . . . . . 30765 1 17 '2D 1H-15N HSQC' no . . . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 2 $NMR_spectrometer_2 . . . . . . . . . . . . . . . . . 30765 1 18 '3D 1H-15N NOESY filtered-edited' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 30765 1 19 '3D 1H-13C NOESY filtered-edited' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 30765 1 20 '3D 1H-15N NOESY' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 30765 1 21 '3D 1H-13C NOESY' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 30765 1 22 '3D 1H-13C NOESY aliphatic' no . . . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 2 $NMR_spectrometer_2 . . . . . . . . . . . . . . . . . 30765 1 23 '3D hbCBcgcCH' no . . . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 30765 1 24 '3D hbCBcgcdceHE' no . . . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 30765 1 25 '3D hbCBcgcdHD' no . . . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 30765 1 26 '3D HBHA(CBCACO)NH' no . . . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 30765 1 27 '2D 1H-13C HSQC' no . . . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 30765 1 28 '3D HCC(CO)NH-TOCSY' no . . . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 30765 1 29 '3D HCCH-TOCSY' no . . . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 30765 1 30 '3D HN(CA)CO' no . . . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 30765 1 31 '3D CBCA(CO)NH' no . . . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 2 $NMR_spectrometer_2 . . . . . . . . . . . . . . . . . 30765 1 32 '3D 1H-15N NOESY filtered-edited' no . . . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 30765 1 33 '3D 1H-13C NOESY filtered-edited' no . . . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 30765 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 30765 _Chem_shift_reference.ID 1 _Chem_shift_reference.Name . _Chem_shift_reference.Details . loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C 13 DSS 'methyl protons' . . . . ppm 0.000 internal indirect 0.251449530 . . . . . 30765 1 H 1 DSS 'methyl protons' . . . . ppm 0.000 internal direct 1.0 . . . . . 30765 1 N 15 DSS 'methyl protons' . . . . ppm 0.000 internal indirect 0.101329118 . . . . . 30765 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 30765 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Name . _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $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 1 '2D 1H-15N HSQC' . . . 30765 1 2 '3D HNCACB' . . . 30765 1 3 '3D CBCA(CO)NH' . . . 30765 1 4 '3D HN(CA)CO' . . . 30765 1 5 '3D HCCH-TOCSY' . . . 30765 1 6 '3D HNCO' . . . 30765 1 7 '3D HCC(CO)NH-TOCSY' . . . 30765 1 8 '3D hbCBcgcCH' . . . 30765 1 9 '3D hbCBcgcdceHE' . . . 30765 1 10 '3D hbCBcgcdHD' . . . 30765 1 11 '3D HBHA(CBCACO)NH' . . . 30765 1 12 '2D 1H-13C HSQC' . . . 30765 1 13 '3D 1H-15N NOESY' . . . 30765 1 14 '3D 1H-13C NOESY aromatic' . . . 30765 1 15 '3D HNCACB' . . . 30765 1 16 '3D HNCO' . . . 30765 1 17 '2D 1H-15N HSQC' . . . 30765 1 18 '3D 1H-15N NOESY filtered-edited' . . . 30765 1 19 '3D 1H-13C NOESY filtered-edited' . . . 30765 1 20 '3D 1H-15N NOESY' . . . 30765 1 21 '3D 1H-13C NOESY' . . . 30765 1 22 '3D 1H-13C NOESY aliphatic' . . . 30765 1 23 '3D hbCBcgcCH' . . . 30765 1 24 '3D hbCBcgcdceHE' . . . 30765 1 25 '3D hbCBcgcdHD' . . . 30765 1 26 '3D HBHA(CBCACO)NH' . . . 30765 1 27 '2D 1H-13C HSQC' . . . 30765 1 28 '3D HCC(CO)NH-TOCSY' . . . 30765 1 29 '3D HCCH-TOCSY' . . . 30765 1 30 '3D HN(CA)CO' . . . 30765 1 31 '3D CBCA(CO)NH' . . . 30765 1 32 '3D 1H-15N NOESY filtered-edited' . . . 30765 1 33 '3D 1H-13C NOESY filtered-edited' . . . 30765 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 4 4 MET HA H 1 4.434 0.00 . 1 . . . . A 69 MET HA . 30765 1 2 . 1 . 1 4 4 MET HB2 H 1 2.052 0.00 . 2 . . . . A 69 MET HB2 . 30765 1 3 . 1 . 1 4 4 MET HB3 H 1 2.002 0.00 . 2 . . . . A 69 MET HB3 . 30765 1 4 . 1 . 1 4 4 MET HG2 H 1 2.493 0.00 . 2 . . . . A 69 MET HG2 . 30765 1 5 . 1 . 1 4 4 MET HG3 H 1 2.430 0.00 . 2 . . . . A 69 MET HG3 . 30765 1 6 . 1 . 1 4 4 MET C C 13 175.691 0.00 . 1 . . . . A 69 MET C . 30765 1 7 . 1 . 1 4 4 MET CA C 13 55.388 0.00 . 1 . . . . A 69 MET CA . 30765 1 8 . 1 . 1 4 4 MET CB C 13 32.736 0.04 . 1 . . . . A 69 MET CB . 30765 1 9 . 1 . 1 4 4 MET CG C 13 31.843 0.00 . 1 . . . . A 69 MET CG . 30765 1 10 . 1 . 1 5 5 ASP H H 1 8.341 0.00 . 1 . . . . A 70 ASP H . 30765 1 11 . 1 . 1 5 5 ASP HA H 1 4.597 0.00 . 1 . . . . A 70 ASP HA . 30765 1 12 . 1 . 1 5 5 ASP HB2 H 1 2.729 0.00 . 2 . . . . A 70 ASP HB2 . 30765 1 13 . 1 . 1 5 5 ASP HB3 H 1 2.658 0.00 . 2 . . . . A 70 ASP HB3 . 30765 1 14 . 1 . 1 5 5 ASP C C 13 176.140 0.00 . 1 . . . . A 70 ASP C . 30765 1 15 . 1 . 1 5 5 ASP CA C 13 54.328 0.00 . 1 . . . . A 70 ASP CA . 30765 1 16 . 1 . 1 5 5 ASP CB C 13 41.219 0.00 . 1 . . . . A 70 ASP CB . 30765 1 17 . 1 . 1 5 5 ASP N N 15 121.592 0.00 . 1 . . . . A 70 ASP N . 30765 1 18 . 1 . 1 6 6 ASN H H 1 8.458 0.00 . 1 . . . . A 71 ASN H . 30765 1 19 . 1 . 1 6 6 ASN HA H 1 4.758 0.00 . 1 . . . . A 71 ASN HA . 30765 1 20 . 1 . 1 6 6 ASN HB2 H 1 2.843 0.00 . 2 . . . . A 71 ASN HB2 . 30765 1 21 . 1 . 1 6 6 ASN HB3 H 1 2.809 0.00 . 2 . . . . A 71 ASN HB3 . 30765 1 22 . 1 . 1 6 6 ASN HD21 H 1 7.597 0.00 . 2 . . . . A 71 ASN HD21 . 30765 1 23 . 1 . 1 6 6 ASN HD22 H 1 6.944 0.00 . 2 . . . . A 71 ASN HD22 . 30765 1 24 . 1 . 1 6 6 ASN C C 13 175.809 0.00 . 1 . . . . A 71 ASN C . 30765 1 25 . 1 . 1 6 6 ASN CA C 13 53.371 0.00 . 1 . . . . A 71 ASN CA . 30765 1 26 . 1 . 1 6 6 ASN CB C 13 39.050 0.01 . 1 . . . . A 71 ASN CB . 30765 1 27 . 1 . 1 6 6 ASN N N 15 120.686 0.00 . 1 . . . . A 71 ASN N . 30765 1 28 . 1 . 1 6 6 ASN ND2 N 15 112.891 0.09 . 1 . . . . A 71 ASN ND2 . 30765 1 29 . 1 . 1 7 7 SER H H 1 8.383 0.00 . 1 . . . . A 72 SER H . 30765 1 30 . 1 . 1 7 7 SER HA H 1 4.341 0.00 . 1 . . . . A 72 SER HA . 30765 1 31 . 1 . 1 7 7 SER HB2 H 1 3.929 0.00 . 2 . . . . A 72 SER HB2 . 30765 1 32 . 1 . 1 7 7 SER HB3 H 1 3.889 0.00 . 2 . . . . A 72 SER HB3 . 30765 1 33 . 1 . 1 7 7 SER C C 13 174.794 0.00 . 1 . . . . A 72 SER C . 30765 1 34 . 1 . 1 7 7 SER CA C 13 59.380 0.00 . 1 . . . . A 72 SER CA . 30765 1 35 . 1 . 1 7 7 SER CB C 13 64.194 0.06 . 1 . . . . A 72 SER CB . 30765 1 36 . 1 . 1 7 7 SER N N 15 116.445 0.00 . 1 . . . . A 72 SER N . 30765 1 37 . 1 . 1 8 8 ALA H H 1 8.280 0.00 . 1 . . . . A 73 ALA H . 30765 1 38 . 1 . 1 8 8 ALA HA H 1 4.347 0.00 . 1 . . . . A 73 ALA HA . 30765 1 39 . 1 . 1 8 8 ALA HB1 H 1 1.415 0.00 . 1 . . . . A 73 ALA HB1 . 30765 1 40 . 1 . 1 8 8 ALA HB2 H 1 1.415 0.00 . 1 . . . . A 73 ALA HB2 . 30765 1 41 . 1 . 1 8 8 ALA HB3 H 1 1.415 0.00 . 1 . . . . A 73 ALA HB3 . 30765 1 42 . 1 . 1 8 8 ALA C C 13 178.160 0.00 . 1 . . . . A 73 ALA C . 30765 1 43 . 1 . 1 8 8 ALA CA C 13 52.872 0.00 . 1 . . . . A 73 ALA CA . 30765 1 44 . 1 . 1 8 8 ALA CB C 13 19.049 0.00 . 1 . . . . A 73 ALA CB . 30765 1 45 . 1 . 1 8 8 ALA N N 15 125.421 0.00 . 1 . . . . A 73 ALA N . 30765 1 46 . 1 . 1 9 9 SER H H 1 8.141 0.00 . 1 . . . . A 74 SER H . 30765 1 47 . 1 . 1 9 9 SER HA H 1 4.403 0.00 . 1 . . . . A 74 SER HA . 30765 1 48 . 1 . 1 9 9 SER HB2 H 1 3.904 0.00 . 1 . . . . A 74 SER HB2 . 30765 1 49 . 1 . 1 9 9 SER HB3 H 1 3.904 0.00 . 1 . . . . A 74 SER HB3 . 30765 1 50 . 1 . 1 9 9 SER C C 13 174.994 0.00 . 1 . . . . A 74 SER C . 30765 1 51 . 1 . 1 9 9 SER CA C 13 58.711 0.00 . 1 . . . . A 74 SER CA . 30765 1 52 . 1 . 1 9 9 SER CB C 13 63.682 0.00 . 1 . . . . A 74 SER CB . 30765 1 53 . 1 . 1 9 9 SER N N 15 114.414 0.00 . 1 . . . . A 74 SER N . 30765 1 54 . 1 . 1 10 10 LYS H H 1 8.218 0.00 . 1 . . . . A 75 LYS H . 30765 1 55 . 1 . 1 10 10 LYS HA H 1 4.309 0.00 . 1 . . . . A 75 LYS HA . 30765 1 56 . 1 . 1 10 10 LYS HB2 H 1 1.824 0.00 . 1 . . . . A 75 LYS HB2 . 30765 1 57 . 1 . 1 10 10 LYS HB3 H 1 1.824 0.00 . 1 . . . . A 75 LYS HB3 . 30765 1 58 . 1 . 1 10 10 LYS HG2 H 1 1.676 0.00 . 2 . . . . A 75 LYS HG2 . 30765 1 59 . 1 . 1 10 10 LYS HG3 H 1 1.431 0.00 . 2 . . . . A 75 LYS HG3 . 30765 1 60 . 1 . 1 10 10 LYS HD2 H 1 1.753 0.00 . 1 . . . . A 75 LYS HD2 . 30765 1 61 . 1 . 1 10 10 LYS HD3 H 1 1.753 0.00 . 1 . . . . A 75 LYS HD3 . 30765 1 62 . 1 . 1 10 10 LYS HE2 H 1 2.998 0.00 . 1 . . . . A 75 LYS HE2 . 30765 1 63 . 1 . 1 10 10 LYS HE3 H 1 2.998 0.00 . 1 . . . . A 75 LYS HE3 . 30765 1 64 . 1 . 1 10 10 LYS C C 13 176.554 0.00 . 1 . . . . A 75 LYS C . 30765 1 65 . 1 . 1 10 10 LYS CA C 13 56.708 0.00 . 1 . . . . A 75 LYS CA . 30765 1 66 . 1 . 1 10 10 LYS CB C 13 32.669 0.00 . 1 . . . . A 75 LYS CB . 30765 1 67 . 1 . 1 10 10 LYS CG C 13 24.653 0.01 . 1 . . . . A 75 LYS CG . 30765 1 68 . 1 . 1 10 10 LYS CD C 13 29.152 0.00 . 1 . . . . A 75 LYS CD . 30765 1 69 . 1 . 1 10 10 LYS CE C 13 42.093 0.00 . 1 . . . . A 75 LYS CE . 30765 1 70 . 1 . 1 10 10 LYS N N 15 122.819 0.00 . 1 . . . . A 75 LYS N . 30765 1 71 . 1 . 1 11 11 ASN H H 1 8.343 0.00 . 1 . . . . A 76 ASN H . 30765 1 72 . 1 . 1 11 11 ASN HA H 1 4.730 0.00 . 1 . . . . A 76 ASN HA . 30765 1 73 . 1 . 1 11 11 ASN HB2 H 1 2.863 0.00 . 2 . . . . A 76 ASN HB2 . 30765 1 74 . 1 . 1 11 11 ASN HB3 H 1 2.806 0.00 . 2 . . . . A 76 ASN HB3 . 30765 1 75 . 1 . 1 11 11 ASN HD21 H 1 7.607 0.00 . 2 . . . . A 76 ASN HD21 . 30765 1 76 . 1 . 1 11 11 ASN HD22 H 1 6.897 0.00 . 2 . . . . A 76 ASN HD22 . 30765 1 77 . 1 . 1 11 11 ASN C C 13 175.460 0.00 . 1 . . . . A 76 ASN C . 30765 1 78 . 1 . 1 11 11 ASN CA C 13 53.323 0.00 . 1 . . . . A 76 ASN CA . 30765 1 79 . 1 . 1 11 11 ASN CB C 13 38.781 0.01 . 1 . . . . A 76 ASN CB . 30765 1 80 . 1 . 1 11 11 ASN N N 15 119.201 0.00 . 1 . . . . A 76 ASN N . 30765 1 81 . 1 . 1 11 11 ASN ND2 N 15 112.536 0.12 . 1 . . . . A 76 ASN ND2 . 30765 1 82 . 1 . 1 12 12 SER H H 1 8.256 0.00 . 1 . . . . A 77 SER H . 30765 1 83 . 1 . 1 12 12 SER HA H 1 4.403 0.00 . 1 . . . . A 77 SER HA . 30765 1 84 . 1 . 1 12 12 SER HB2 H 1 3.904 0.00 . 1 . . . . A 77 SER HB2 . 30765 1 85 . 1 . 1 12 12 SER HB3 H 1 3.904 0.00 . 1 . . . . A 77 SER HB3 . 30765 1 86 . 1 . 1 12 12 SER C C 13 174.442 0.00 . 1 . . . . A 77 SER C . 30765 1 87 . 1 . 1 12 12 SER CA C 13 58.711 0.00 . 1 . . . . A 77 SER CA . 30765 1 88 . 1 . 1 12 12 SER CB C 13 63.682 0.00 . 1 . . . . A 77 SER CB . 30765 1 89 . 1 . 1 12 12 SER N N 15 116.606 0.00 . 1 . . . . A 77 SER N . 30765 1 90 . 1 . 1 13 13 ALA H H 1 8.305 0.00 . 1 . . . . A 78 ALA H . 30765 1 91 . 1 . 1 13 13 ALA HA H 1 4.347 0.00 . 1 . . . . A 78 ALA HA . 30765 1 92 . 1 . 1 13 13 ALA HB1 H 1 1.415 0.00 . 1 . . . . A 78 ALA HB1 . 30765 1 93 . 1 . 1 13 13 ALA HB2 H 1 1.415 0.00 . 1 . . . . A 78 ALA HB2 . 30765 1 94 . 1 . 1 13 13 ALA HB3 H 1 1.415 0.00 . 1 . . . . A 78 ALA HB3 . 30765 1 95 . 1 . 1 13 13 ALA C C 13 178.069 0.00 . 1 . . . . A 78 ALA C . 30765 1 96 . 1 . 1 13 13 ALA CA C 13 52.872 0.00 . 1 . . . . A 78 ALA CA . 30765 1 97 . 1 . 1 13 13 ALA CB C 13 19.049 0.00 . 1 . . . . A 78 ALA CB . 30765 1 98 . 1 . 1 13 13 ALA N N 15 125.761 0.00 . 1 . . . . A 78 ALA N . 30765 1 99 . 1 . 1 14 14 ILE H H 1 8.008 0.00 . 1 . . . . A 79 ILE H . 30765 1 100 . 1 . 1 14 14 ILE HA H 1 4.162 0.00 . 1 . . . . A 79 ILE HA . 30765 1 101 . 1 . 1 14 14 ILE HB H 1 1.894 0.00 . 1 . . . . A 79 ILE HB . 30765 1 102 . 1 . 1 14 14 ILE HG12 H 1 1.207 0.00 . 1 . . . . A 79 ILE HG12 . 30765 1 103 . 1 . 1 14 14 ILE HG13 H 1 1.207 0.00 . 1 . . . . A 79 ILE HG13 . 30765 1 104 . 1 . 1 14 14 ILE HG21 H 1 0.925 0.00 . 1 . . . . A 79 ILE HG21 . 30765 1 105 . 1 . 1 14 14 ILE HG22 H 1 0.925 0.00 . 1 . . . . A 79 ILE HG22 . 30765 1 106 . 1 . 1 14 14 ILE HG23 H 1 0.925 0.00 . 1 . . . . A 79 ILE HG23 . 30765 1 107 . 1 . 1 14 14 ILE HD11 H 1 0.871 0.00 . 1 . . . . A 79 ILE HD11 . 30765 1 108 . 1 . 1 14 14 ILE HD12 H 1 0.871 0.00 . 1 . . . . A 79 ILE HD12 . 30765 1 109 . 1 . 1 14 14 ILE HD13 H 1 0.871 0.00 . 1 . . . . A 79 ILE HD13 . 30765 1 110 . 1 . 1 14 14 ILE C C 13 176.598 0.00 . 1 . . . . A 79 ILE C . 30765 1 111 . 1 . 1 14 14 ILE CA C 13 61.455 0.00 . 1 . . . . A 79 ILE CA . 30765 1 112 . 1 . 1 14 14 ILE CB C 13 38.587 0.00 . 1 . . . . A 79 ILE CB . 30765 1 113 . 1 . 1 14 14 ILE CG1 C 13 27.429 0.00 . 1 . . . . A 79 ILE CG1 . 30765 1 114 . 1 . 1 14 14 ILE CG2 C 13 17.553 0.00 . 1 . . . . A 79 ILE CG2 . 30765 1 115 . 1 . 1 14 14 ILE CD1 C 13 13.042 0.00 . 1 . . . . A 79 ILE CD1 . 30765 1 116 . 1 . 1 14 14 ILE N N 15 119.146 0.00 . 1 . . . . A 79 ILE N . 30765 1 117 . 1 . 1 15 15 SER H H 1 8.270 0.00 . 1 . . . . A 80 SER H . 30765 1 118 . 1 . 1 15 15 SER HA H 1 4.473 0.00 . 1 . . . . A 80 SER HA . 30765 1 119 . 1 . 1 15 15 SER HB2 H 1 3.907 0.00 . 1 . . . . A 80 SER HB2 . 30765 1 120 . 1 . 1 15 15 SER HB3 H 1 3.907 0.00 . 1 . . . . A 80 SER HB3 . 30765 1 121 . 1 . 1 15 15 SER C C 13 174.978 0.00 . 1 . . . . A 80 SER C . 30765 1 122 . 1 . 1 15 15 SER CA C 13 58.887 0.00 . 1 . . . . A 80 SER CA . 30765 1 123 . 1 . 1 15 15 SER CB C 13 63.676 0.00 . 1 . . . . A 80 SER CB . 30765 1 124 . 1 . 1 15 15 SER N N 15 118.987 0.00 . 1 . . . . A 80 SER N . 30765 1 125 . 1 . 1 16 16 SER H H 1 8.348 0.00 . 1 . . . . A 81 SER H . 30765 1 126 . 1 . 1 16 16 SER HA H 1 4.473 0.00 . 1 . . . . A 81 SER HA . 30765 1 127 . 1 . 1 16 16 SER HB2 H 1 3.907 0.00 . 1 . . . . A 81 SER HB2 . 30765 1 128 . 1 . 1 16 16 SER HB3 H 1 3.907 0.00 . 1 . . . . A 81 SER HB3 . 30765 1 129 . 1 . 1 16 16 SER C C 13 175.430 0.00 . 1 . . . . A 81 SER C . 30765 1 130 . 1 . 1 16 16 SER CA C 13 58.887 0.00 . 1 . . . . A 81 SER CA . 30765 1 131 . 1 . 1 16 16 SER CB C 13 63.676 0.00 . 1 . . . . A 81 SER CB . 30765 1 132 . 1 . 1 16 16 SER N N 15 118.053 0.00 . 1 . . . . A 81 SER N . 30765 1 133 . 1 . 1 17 17 SER H H 1 8.348 0.00 . 1 . . . . A 82 SER H . 30765 1 134 . 1 . 1 17 17 SER HA H 1 4.465 0.00 . 1 . . . . A 82 SER HA . 30765 1 135 . 1 . 1 17 17 SER HB2 H 1 4.440 0.00 . 1 . . . . A 82 SER HB2 . 30765 1 136 . 1 . 1 17 17 SER HB3 H 1 4.440 0.00 . 1 . . . . A 82 SER HB3 . 30765 1 137 . 1 . 1 17 17 SER CA C 13 59.393 0.00 . 1 . . . . A 82 SER CA . 30765 1 138 . 1 . 1 17 17 SER CB C 13 59.283 0.00 . 1 . . . . A 82 SER CB . 30765 1 139 . 1 . 1 17 17 SER N N 15 118.053 0.00 . 1 . . . . A 82 SER N . 30765 1 140 . 1 . 1 18 18 ILE H H 1 7.905 0.00 . 1 . . . . A 83 ILE H . 30765 1 141 . 1 . 1 18 18 ILE HA H 1 3.935 0.00 . 1 . . . . A 83 ILE HA . 30765 1 142 . 1 . 1 18 18 ILE HB H 1 1.773 0.00 . 1 . . . . A 83 ILE HB . 30765 1 143 . 1 . 1 18 18 ILE HG12 H 1 1.228 0.00 . 2 . . . . A 83 ILE HG12 . 30765 1 144 . 1 . 1 18 18 ILE HG13 H 1 1.088 0.00 . 2 . . . . A 83 ILE HG13 . 30765 1 145 . 1 . 1 18 18 ILE HG21 H 1 0.784 0.00 . 1 . . . . A 83 ILE HG21 . 30765 1 146 . 1 . 1 18 18 ILE HG22 H 1 0.784 0.00 . 1 . . . . A 83 ILE HG22 . 30765 1 147 . 1 . 1 18 18 ILE HG23 H 1 0.784 0.00 . 1 . . . . A 83 ILE HG23 . 30765 1 148 . 1 . 1 18 18 ILE HD11 H 1 0.794 0.00 . 1 . . . . A 83 ILE HD11 . 30765 1 149 . 1 . 1 18 18 ILE HD12 H 1 0.794 0.00 . 1 . . . . A 83 ILE HD12 . 30765 1 150 . 1 . 1 18 18 ILE HD13 H 1 0.794 0.00 . 1 . . . . A 83 ILE HD13 . 30765 1 151 . 1 . 1 18 18 ILE C C 13 176.750 0.00 . 1 . . . . A 83 ILE C . 30765 1 152 . 1 . 1 18 18 ILE CA C 13 62.555 0.00 . 1 . . . . A 83 ILE CA . 30765 1 153 . 1 . 1 18 18 ILE CB C 13 38.063 0.00 . 1 . . . . A 83 ILE CB . 30765 1 154 . 1 . 1 18 18 ILE CG1 C 13 27.374 0.07 . 1 . . . . A 83 ILE CG1 . 30765 1 155 . 1 . 1 18 18 ILE CG2 C 13 17.360 0.00 . 1 . . . . A 83 ILE CG2 . 30765 1 156 . 1 . 1 18 18 ILE CD1 C 13 13.182 0.00 . 1 . . . . A 83 ILE CD1 . 30765 1 157 . 1 . 1 18 18 ILE N N 15 121.285 0.00 . 1 . . . . A 83 ILE N . 30765 1 158 . 1 . 1 19 19 PHE H H 1 8.098 0.00 . 1 . . . . A 84 PHE H . 30765 1 159 . 1 . 1 19 19 PHE HA H 1 4.480 0.00 . 1 . . . . A 84 PHE HA . 30765 1 160 . 1 . 1 19 19 PHE HB2 H 1 3.201 0.00 . 2 . . . . A 84 PHE HB2 . 30765 1 161 . 1 . 1 19 19 PHE HB3 H 1 3.077 0.00 . 2 . . . . A 84 PHE HB3 . 30765 1 162 . 1 . 1 19 19 PHE HD1 H 1 7.235 0.00 . 1 . . . . A 84 PHE HD1 . 30765 1 163 . 1 . 1 19 19 PHE HD2 H 1 7.235 0.00 . 1 . . . . A 84 PHE HD2 . 30765 1 164 . 1 . 1 19 19 PHE HE1 H 1 7.221 0.00 . 1 . . . . A 84 PHE HE1 . 30765 1 165 . 1 . 1 19 19 PHE HE2 H 1 7.221 0.00 . 1 . . . . A 84 PHE HE2 . 30765 1 166 . 1 . 1 19 19 PHE HZ H 1 6.075 0.00 . 1 . . . . A 84 PHE HZ . 30765 1 167 . 1 . 1 19 19 PHE C C 13 176.375 0.00 . 1 . . . . A 84 PHE C . 30765 1 168 . 1 . 1 19 19 PHE CA C 13 59.303 0.00 . 1 . . . . A 84 PHE CA . 30765 1 169 . 1 . 1 19 19 PHE CB C 13 39.140 0.04 . 1 . . . . A 84 PHE CB . 30765 1 170 . 1 . 1 19 19 PHE CD1 C 13 131.701 0.00 . 1 . . . . A 84 PHE CD1 . 30765 1 171 . 1 . 1 19 19 PHE CD2 C 13 131.701 0.00 . 1 . . . . A 84 PHE CD2 . 30765 1 172 . 1 . 1 19 19 PHE CE1 C 13 131.199 0.00 . 1 . . . . A 84 PHE CE1 . 30765 1 173 . 1 . 1 19 19 PHE CE2 C 13 131.199 0.00 . 1 . . . . A 84 PHE CE2 . 30765 1 174 . 1 . 1 19 19 PHE CZ C 13 130.556 0.00 . 1 . . . . A 84 PHE CZ . 30765 1 175 . 1 . 1 19 19 PHE N N 15 121.803 0.00 . 1 . . . . A 84 PHE N . 30765 1 176 . 1 . 1 20 20 CYS H H 1 8.143 0.00 . 1 . . . . A 85 CYS H . 30765 1 177 . 1 . 1 20 20 CYS HA H 1 4.387 0.00 . 1 . . . . A 85 CYS HA . 30765 1 178 . 1 . 1 20 20 CYS HB2 H 1 3.150 0.00 . 2 . . . . A 85 CYS HB2 . 30765 1 179 . 1 . 1 20 20 CYS HB3 H 1 3.095 0.00 . 2 . . . . A 85 CYS HB3 . 30765 1 180 . 1 . 1 20 20 CYS C C 13 176.144 0.00 . 1 . . . . A 85 CYS C . 30765 1 181 . 1 . 1 20 20 CYS CA C 13 60.328 0.00 . 1 . . . . A 85 CYS CA . 30765 1 182 . 1 . 1 20 20 CYS CB C 13 27.860 0.00 . 1 . . . . A 85 CYS CB . 30765 1 183 . 1 . 1 20 20 CYS N N 15 118.866 0.00 . 1 . . . . A 85 CYS N . 30765 1 184 . 1 . 1 21 21 GLU H H 1 8.463 0.00 . 1 . . . . A 86 GLU H . 30765 1 185 . 1 . 1 21 21 GLU HA H 1 4.173 0.00 . 1 . . . . A 86 GLU HA . 30765 1 186 . 1 . 1 21 21 GLU HB2 H 1 2.147 0.00 . 1 . . . . A 86 GLU HB2 . 30765 1 187 . 1 . 1 21 21 GLU HB3 H 1 2.147 0.00 . 1 . . . . A 86 GLU HB3 . 30765 1 188 . 1 . 1 21 21 GLU HG2 H 1 2.376 0.00 . 1 . . . . A 86 GLU HG2 . 30765 1 189 . 1 . 1 21 21 GLU HG3 H 1 2.376 0.00 . 1 . . . . A 86 GLU HG3 . 30765 1 190 . 1 . 1 21 21 GLU C C 13 178.171 0.00 . 1 . . . . A 86 GLU C . 30765 1 191 . 1 . 1 21 21 GLU CA C 13 59.010 0.00 . 1 . . . . A 86 GLU CA . 30765 1 192 . 1 . 1 21 21 GLU CB C 13 29.415 0.00 . 1 . . . . A 86 GLU CB . 30765 1 193 . 1 . 1 21 21 GLU CG C 13 36.181 0.00 . 1 . . . . A 86 GLU CG . 30765 1 194 . 1 . 1 21 21 GLU N N 15 122.816 0.00 . 1 . . . . A 86 GLU N . 30765 1 195 . 1 . 1 22 22 LYS H H 1 8.340 0.00 . 1 . . . . A 87 LYS H . 30765 1 196 . 1 . 1 22 22 LYS HA H 1 4.242 0.00 . 1 . . . . A 87 LYS HA . 30765 1 197 . 1 . 1 22 22 LYS HB2 H 1 1.919 0.00 . 1 . . . . A 87 LYS HB2 . 30765 1 198 . 1 . 1 22 22 LYS HB3 H 1 1.919 0.00 . 1 . . . . A 87 LYS HB3 . 30765 1 199 . 1 . 1 22 22 LYS HG2 H 1 1.518 0.00 . 2 . . . . A 87 LYS HG2 . 30765 1 200 . 1 . 1 22 22 LYS HG3 H 1 1.449 0.00 . 2 . . . . A 87 LYS HG3 . 30765 1 201 . 1 . 1 22 22 LYS HD2 H 1 1.738 0.00 . 1 . . . . A 87 LYS HD2 . 30765 1 202 . 1 . 1 22 22 LYS HD3 H 1 1.738 0.00 . 1 . . . . A 87 LYS HD3 . 30765 1 203 . 1 . 1 22 22 LYS HE2 H 1 2.998 0.00 . 1 . . . . A 87 LYS HE2 . 30765 1 204 . 1 . 1 22 22 LYS HE3 H 1 2.998 0.00 . 1 . . . . A 87 LYS HE3 . 30765 1 205 . 1 . 1 22 22 LYS C C 13 179.419 0.00 . 1 . . . . A 87 LYS C . 30765 1 206 . 1 . 1 22 22 LYS CA C 13 58.757 0.00 . 1 . . . . A 87 LYS CA . 30765 1 207 . 1 . 1 22 22 LYS CB C 13 32.314 0.00 . 1 . . . . A 87 LYS CB . 30765 1 208 . 1 . 1 22 22 LYS CG C 13 24.785 0.03 . 1 . . . . A 87 LYS CG . 30765 1 209 . 1 . 1 22 22 LYS CD C 13 29.233 0.00 . 1 . . . . A 87 LYS CD . 30765 1 210 . 1 . 1 22 22 LYS CE C 13 42.093 0.00 . 1 . . . . A 87 LYS CE . 30765 1 211 . 1 . 1 22 22 LYS N N 15 120.021 0.00 . 1 . . . . A 87 LYS N . 30765 1 212 . 1 . 1 23 23 TYR H H 1 8.474 0.00 . 1 . . . . A 88 TYR H . 30765 1 213 . 1 . 1 23 23 TYR HA H 1 3.938 0.00 . 1 . . . . A 88 TYR HA . 30765 1 214 . 1 . 1 23 23 TYR HB2 H 1 3.182 0.00 . 2 . . . . A 88 TYR HB2 . 30765 1 215 . 1 . 1 23 23 TYR HB3 H 1 2.919 0.00 . 2 . . . . A 88 TYR HB3 . 30765 1 216 . 1 . 1 23 23 TYR HD1 H 1 7.970 0.00 . 1 . . . . A 88 TYR HD1 . 30765 1 217 . 1 . 1 23 23 TYR HD2 H 1 7.970 0.00 . 1 . . . . A 88 TYR HD2 . 30765 1 218 . 1 . 1 23 23 TYR HE1 H 1 6.977 0.00 . 1 . . . . A 88 TYR HE1 . 30765 1 219 . 1 . 1 23 23 TYR HE2 H 1 6.759 0.00 . 1 . . . . A 88 TYR HE2 . 30765 1 220 . 1 . 1 23 23 TYR C C 13 176.639 0.00 . 1 . . . . A 88 TYR C . 30765 1 221 . 1 . 1 23 23 TYR CA C 13 62.406 0.00 . 1 . . . . A 88 TYR CA . 30765 1 222 . 1 . 1 23 23 TYR CB C 13 38.291 0.03 . 1 . . . . A 88 TYR CB . 30765 1 223 . 1 . 1 23 23 TYR CD1 C 13 138.200 0.00 . 1 . . . . A 88 TYR CD1 . 30765 1 224 . 1 . 1 23 23 TYR CD2 C 13 138.200 0.00 . 1 . . . . A 88 TYR CD2 . 30765 1 225 . 1 . 1 23 23 TYR CE1 C 13 117.902 0.00 . 1 . . . . A 88 TYR CE1 . 30765 1 226 . 1 . 1 23 23 TYR CE2 C 13 117.675 0.00 . 1 . . . . A 88 TYR CE2 . 30765 1 227 . 1 . 1 23 23 TYR N N 15 123.402 0.00 . 1 . . . . A 88 TYR N . 30765 1 228 . 1 . 1 24 24 LYS H H 1 8.149 0.00 . 1 . . . . A 89 LYS H . 30765 1 229 . 1 . 1 24 24 LYS HA H 1 3.901 0.00 . 1 . . . . A 89 LYS HA . 30765 1 230 . 1 . 1 24 24 LYS HB2 H 1 2.064 0.00 . 2 . . . . A 89 LYS HB2 . 30765 1 231 . 1 . 1 24 24 LYS HB3 H 1 2.022 0.00 . 2 . . . . A 89 LYS HB3 . 30765 1 232 . 1 . 1 24 24 LYS HG2 H 1 1.449 0.00 . 2 . . . . A 89 LYS HG2 . 30765 1 233 . 1 . 1 24 24 LYS HG3 H 1 1.423 0.00 . 2 . . . . A 89 LYS HG3 . 30765 1 234 . 1 . 1 24 24 LYS HD2 H 1 1.686 0.00 . 2 . . . . A 89 LYS HD2 . 30765 1 235 . 1 . 1 24 24 LYS HD3 H 1 1.670 0.00 . 2 . . . . A 89 LYS HD3 . 30765 1 236 . 1 . 1 24 24 LYS HE2 H 1 2.998 0.00 . 1 . . . . A 89 LYS HE2 . 30765 1 237 . 1 . 1 24 24 LYS HE3 H 1 2.998 0.00 . 1 . . . . A 89 LYS HE3 . 30765 1 238 . 1 . 1 24 24 LYS C C 13 178.978 0.00 . 1 . . . . A 89 LYS C . 30765 1 239 . 1 . 1 24 24 LYS CA C 13 60.439 0.00 . 1 . . . . A 89 LYS CA . 30765 1 240 . 1 . 1 24 24 LYS CB C 13 32.520 0.02 . 1 . . . . A 89 LYS CB . 30765 1 241 . 1 . 1 24 24 LYS CG C 13 24.700 0.06 . 1 . . . . A 89 LYS CG . 30765 1 242 . 1 . 1 24 24 LYS CD C 13 29.157 0.05 . 1 . . . . A 89 LYS CD . 30765 1 243 . 1 . 1 24 24 LYS CE C 13 42.093 0.00 . 1 . . . . A 89 LYS CE . 30765 1 244 . 1 . 1 24 24 LYS N N 15 119.640 0.00 . 1 . . . . A 89 LYS N . 30765 1 245 . 1 . 1 25 25 GLN H H 1 8.449 0.00 . 1 . . . . A 90 GLN H . 30765 1 246 . 1 . 1 25 25 GLN HA H 1 4.173 0.00 . 1 . . . . A 90 GLN HA . 30765 1 247 . 1 . 1 25 25 GLN HB2 H 1 2.196 0.00 . 1 . . . . A 90 GLN HB2 . 30765 1 248 . 1 . 1 25 25 GLN HB3 H 1 2.196 0.00 . 1 . . . . A 90 GLN HB3 . 30765 1 249 . 1 . 1 25 25 GLN HG2 H 1 2.580 0.00 . 2 . . . . A 90 GLN HG2 . 30765 1 250 . 1 . 1 25 25 GLN HG3 H 1 2.440 0.00 . 2 . . . . A 90 GLN HG3 . 30765 1 251 . 1 . 1 25 25 GLN HE21 H 1 7.657 0.00 . 1 . . . . A 90 GLN HE21 . 30765 1 252 . 1 . 1 25 25 GLN C C 13 178.418 0.00 . 1 . . . . A 90 GLN C . 30765 1 253 . 1 . 1 25 25 GLN CA C 13 59.010 0.00 . 1 . . . . A 90 GLN CA . 30765 1 254 . 1 . 1 25 25 GLN CB C 13 28.636 0.00 . 1 . . . . A 90 GLN CB . 30765 1 255 . 1 . 1 25 25 GLN CG C 13 34.149 0.02 . 1 . . . . A 90 GLN CG . 30765 1 256 . 1 . 1 25 25 GLN N N 15 117.776 0.00 . 1 . . . . A 90 GLN N . 30765 1 257 . 1 . 1 25 25 GLN NE2 N 15 111.851 0.00 . 1 . . . . A 90 GLN NE2 . 30765 1 258 . 1 . 1 26 26 THR H H 1 7.983 0.00 . 1 . . . . A 91 THR H . 30765 1 259 . 1 . 1 26 26 THR HA H 1 3.894 0.00 . 1 . . . . A 91 THR HA . 30765 1 260 . 1 . 1 26 26 THR HB H 1 4.239 0.00 . 1 . . . . A 91 THR HB . 30765 1 261 . 1 . 1 26 26 THR HG21 H 1 1.202 0.00 . 1 . . . . A 91 THR HG21 . 30765 1 262 . 1 . 1 26 26 THR HG22 H 1 1.202 0.00 . 1 . . . . A 91 THR HG22 . 30765 1 263 . 1 . 1 26 26 THR HG23 H 1 1.202 0.00 . 1 . . . . A 91 THR HG23 . 30765 1 264 . 1 . 1 26 26 THR C C 13 175.769 0.00 . 1 . . . . A 91 THR C . 30765 1 265 . 1 . 1 26 26 THR CA C 13 66.945 0.00 . 1 . . . . A 91 THR CA . 30765 1 266 . 1 . 1 26 26 THR CB C 13 68.267 0.00 . 1 . . . . A 91 THR CB . 30765 1 267 . 1 . 1 26 26 THR CG2 C 13 23.481 0.00 . 1 . . . . A 91 THR CG2 . 30765 1 268 . 1 . 1 26 26 THR N N 15 117.062 0.00 . 1 . . . . A 91 THR N . 30765 1 269 . 1 . 1 27 27 LYS H H 1 8.522 0.00 . 1 . . . . A 92 LYS H . 30765 1 270 . 1 . 1 27 27 LYS HA H 1 3.660 0.00 . 1 . . . . A 92 LYS HA . 30765 1 271 . 1 . 1 27 27 LYS HB2 H 1 1.927 0.00 . 1 . . . . A 92 LYS HB2 . 30765 1 272 . 1 . 1 27 27 LYS HB3 H 1 1.570 0.00 . 1 . . . . A 92 LYS HB3 . 30765 1 273 . 1 . 1 27 27 LYS HG2 H 1 1.369 0.00 . 1 . . . . A 92 LYS HG2 . 30765 1 274 . 1 . 1 27 27 LYS HG3 H 1 1.369 0.00 . 1 . . . . A 92 LYS HG3 . 30765 1 275 . 1 . 1 27 27 LYS HD2 H 1 1.722 0.00 . 1 . . . . A 92 LYS HD2 . 30765 1 276 . 1 . 1 27 27 LYS HD3 H 1 1.722 0.00 . 1 . . . . A 92 LYS HD3 . 30765 1 277 . 1 . 1 27 27 LYS HE2 H 1 3.012 0.00 . 1 . . . . A 92 LYS HE2 . 30765 1 278 . 1 . 1 27 27 LYS HE3 H 1 2.923 0.00 . 1 . . . . A 92 LYS HE3 . 30765 1 279 . 1 . 1 27 27 LYS C C 13 177.808 0.00 . 1 . . . . A 92 LYS C . 30765 1 280 . 1 . 1 27 27 LYS CA C 13 60.603 0.00 . 1 . . . . A 92 LYS CA . 30765 1 281 . 1 . 1 27 27 LYS CB C 13 31.916 0.06 . 1 . . . . A 92 LYS CB . 30765 1 282 . 1 . 1 27 27 LYS CG C 13 25.671 0.00 . 1 . . . . A 92 LYS CG . 30765 1 283 . 1 . 1 27 27 LYS CD C 13 29.946 0.00 . 1 . . . . A 92 LYS CD . 30765 1 284 . 1 . 1 27 27 LYS CE C 13 42.044 0.02 . 1 . . . . A 92 LYS CE . 30765 1 285 . 1 . 1 27 27 LYS N N 15 122.373 0.00 . 1 . . . . A 92 LYS N . 30765 1 286 . 1 . 1 28 28 GLU H H 1 8.096 0.00 . 1 . . . . A 93 GLU H . 30765 1 287 . 1 . 1 28 28 GLU HA H 1 3.970 0.00 . 1 . . . . A 93 GLU HA . 30765 1 288 . 1 . 1 28 28 GLU HB2 H 1 2.125 0.00 . 1 . . . . A 93 GLU HB2 . 30765 1 289 . 1 . 1 28 28 GLU HB3 H 1 2.125 0.00 . 1 . . . . A 93 GLU HB3 . 30765 1 290 . 1 . 1 28 28 GLU HG2 H 1 2.473 0.00 . 2 . . . . A 93 GLU HG2 . 30765 1 291 . 1 . 1 28 28 GLU HG3 H 1 2.322 0.00 . 2 . . . . A 93 GLU HG3 . 30765 1 292 . 1 . 1 28 28 GLU C C 13 179.498 0.00 . 1 . . . . A 93 GLU C . 30765 1 293 . 1 . 1 28 28 GLU CA C 13 59.406 0.00 . 1 . . . . A 93 GLU CA . 30765 1 294 . 1 . 1 28 28 GLU CB C 13 29.302 0.00 . 1 . . . . A 93 GLU CB . 30765 1 295 . 1 . 1 28 28 GLU CG C 13 36.580 0.03 . 1 . . . . A 93 GLU CG . 30765 1 296 . 1 . 1 28 28 GLU N N 15 118.230 0.00 . 1 . . . . A 93 GLU N . 30765 1 297 . 1 . 1 29 29 GLN H H 1 7.864 0.00 . 1 . . . . A 94 GLN H . 30765 1 298 . 1 . 1 29 29 GLN HA H 1 4.146 0.00 . 1 . . . . A 94 GLN HA . 30765 1 299 . 1 . 1 29 29 GLN HB2 H 1 1.970 0.00 . 1 . . . . A 94 GLN HB2 . 30765 1 300 . 1 . 1 29 29 GLN HB3 H 1 1.970 0.00 . 1 . . . . A 94 GLN HB3 . 30765 1 301 . 1 . 1 29 29 GLN HG2 H 1 2.415 0.00 . 1 . . . . A 94 GLN HG2 . 30765 1 302 . 1 . 1 29 29 GLN HG3 H 1 2.415 0.00 . 1 . . . . A 94 GLN HG3 . 30765 1 303 . 1 . 1 29 29 GLN HE21 H 1 7.344 0.00 . 2 . . . . A 94 GLN HE21 . 30765 1 304 . 1 . 1 29 29 GLN HE22 H 1 6.823 0.00 . 2 . . . . A 94 GLN HE22 . 30765 1 305 . 1 . 1 29 29 GLN C C 13 178.640 0.00 . 1 . . . . A 94 GLN C . 30765 1 306 . 1 . 1 29 29 GLN CA C 13 59.046 0.00 . 1 . . . . A 94 GLN CA . 30765 1 307 . 1 . 1 29 29 GLN CB C 13 30.184 0.00 . 1 . . . . A 94 GLN CB . 30765 1 308 . 1 . 1 29 29 GLN CG C 13 34.595 0.00 . 1 . . . . A 94 GLN CG . 30765 1 309 . 1 . 1 29 29 GLN N N 15 119.187 0.00 . 1 . . . . A 94 GLN N . 30765 1 310 . 1 . 1 29 29 GLN NE2 N 15 109.322 0.04 . 1 . . . . A 94 GLN NE2 . 30765 1 311 . 1 . 1 30 30 ALA H H 1 8.012 0.00 . 1 . . . . A 95 ALA H . 30765 1 312 . 1 . 1 30 30 ALA HA H 1 3.792 0.00 . 1 . . . . A 95 ALA HA . 30765 1 313 . 1 . 1 30 30 ALA HB1 H 1 1.427 0.00 . 1 . . . . A 95 ALA HB1 . 30765 1 314 . 1 . 1 30 30 ALA HB2 H 1 1.427 0.00 . 1 . . . . A 95 ALA HB2 . 30765 1 315 . 1 . 1 30 30 ALA HB3 H 1 1.427 0.00 . 1 . . . . A 95 ALA HB3 . 30765 1 316 . 1 . 1 30 30 ALA C C 13 178.558 0.00 . 1 . . . . A 95 ALA C . 30765 1 317 . 1 . 1 30 30 ALA CA C 13 55.095 0.00 . 1 . . . . A 95 ALA CA . 30765 1 318 . 1 . 1 30 30 ALA CB C 13 17.556 0.00 . 1 . . . . A 95 ALA CB . 30765 1 319 . 1 . 1 30 30 ALA N N 15 121.034 0.00 . 1 . . . . A 95 ALA N . 30765 1 320 . 1 . 1 31 31 LEU H H 1 8.587 0.00 . 1 . . . . A 96 LEU H . 30765 1 321 . 1 . 1 31 31 LEU HA H 1 4.118 0.00 . 1 . . . . A 96 LEU HA . 30765 1 322 . 1 . 1 31 31 LEU HB2 H 1 2.012 0.00 . 1 . . . . A 96 LEU HB2 . 30765 1 323 . 1 . 1 31 31 LEU HB3 H 1 1.709 0.00 . 1 . . . . A 96 LEU HB3 . 30765 1 324 . 1 . 1 31 31 LEU HG H 1 1.557 0.00 . 1 . . . . A 96 LEU HG . 30765 1 325 . 1 . 1 31 31 LEU HD11 H 1 0.931 0.00 . 1 . . . . A 96 LEU HD11 . 30765 1 326 . 1 . 1 31 31 LEU HD12 H 1 0.931 0.00 . 1 . . . . A 96 LEU HD12 . 30765 1 327 . 1 . 1 31 31 LEU HD13 H 1 0.931 0.00 . 1 . . . . A 96 LEU HD13 . 30765 1 328 . 1 . 1 31 31 LEU HD21 H 1 0.966 0.00 . 1 . . . . A 96 LEU HD21 . 30765 1 329 . 1 . 1 31 31 LEU HD22 H 1 0.966 0.00 . 1 . . . . A 96 LEU HD22 . 30765 1 330 . 1 . 1 31 31 LEU HD23 H 1 0.966 0.00 . 1 . . . . A 96 LEU HD23 . 30765 1 331 . 1 . 1 31 31 LEU C C 13 178.723 0.00 . 1 . . . . A 96 LEU C . 30765 1 332 . 1 . 1 31 31 LEU CA C 13 58.967 0.00 . 1 . . . . A 96 LEU CA . 30765 1 333 . 1 . 1 31 31 LEU CB C 13 41.309 0.01 . 1 . . . . A 96 LEU CB . 30765 1 334 . 1 . 1 31 31 LEU CG C 13 26.959 0.00 . 1 . . . . A 96 LEU CG . 30765 1 335 . 1 . 1 31 31 LEU CD1 C 13 25.480 0.00 . 1 . . . . A 96 LEU CD1 . 30765 1 336 . 1 . 1 31 31 LEU CD2 C 13 24.171 0.00 . 1 . . . . A 96 LEU CD2 . 30765 1 337 . 1 . 1 31 31 LEU N N 15 118.992 0.00 . 1 . . . . A 96 LEU N . 30765 1 338 . 1 . 1 32 32 THR H H 1 7.986 0.00 . 1 . . . . A 97 THR H . 30765 1 339 . 1 . 1 32 32 THR HA H 1 4.014 0.00 . 1 . . . . A 97 THR HA . 30765 1 340 . 1 . 1 32 32 THR HB H 1 4.291 0.00 . 1 . . . . A 97 THR HB . 30765 1 341 . 1 . 1 32 32 THR HG21 H 1 1.203 0.00 . 1 . . . . A 97 THR HG21 . 30765 1 342 . 1 . 1 32 32 THR HG22 H 1 1.203 0.00 . 1 . . . . A 97 THR HG22 . 30765 1 343 . 1 . 1 32 32 THR HG23 H 1 1.203 0.00 . 1 . . . . A 97 THR HG23 . 30765 1 344 . 1 . 1 32 32 THR C C 13 176.208 0.00 . 1 . . . . A 97 THR C . 30765 1 345 . 1 . 1 32 32 THR CA C 13 66.995 0.00 . 1 . . . . A 97 THR CA . 30765 1 346 . 1 . 1 32 32 THR CB C 13 68.593 0.00 . 1 . . . . A 97 THR CB . 30765 1 347 . 1 . 1 32 32 THR CG2 C 13 21.915 0.00 . 1 . . . . A 97 THR CG2 . 30765 1 348 . 1 . 1 32 32 THR N N 15 115.013 0.00 . 1 . . . . A 97 THR N . 30765 1 349 . 1 . 1 33 33 PHE H H 1 7.797 0.00 . 1 . . . . A 98 PHE H . 30765 1 350 . 1 . 1 33 33 PHE HA H 1 4.056 0.00 . 1 . . . . A 98 PHE HA . 30765 1 351 . 1 . 1 33 33 PHE HB2 H 1 2.809 0.00 . 1 . . . . A 98 PHE HB2 . 30765 1 352 . 1 . 1 33 33 PHE HB3 H 1 2.772 0.00 . 1 . . . . A 98 PHE HB3 . 30765 1 353 . 1 . 1 33 33 PHE HD1 H 1 6.988 0.00 . 1 . . . . A 98 PHE HD1 . 30765 1 354 . 1 . 1 33 33 PHE HD2 H 1 6.759 0.00 . 1 . . . . A 98 PHE HD2 . 30765 1 355 . 1 . 1 33 33 PHE HE1 H 1 7.197 0.00 . 1 . . . . A 98 PHE HE1 . 30765 1 356 . 1 . 1 33 33 PHE HE2 H 1 7.161 0.00 . 1 . . . . A 98 PHE HE2 . 30765 1 357 . 1 . 1 33 33 PHE HZ H 1 6.231 0.00 . 1 . . . . A 98 PHE HZ . 30765 1 358 . 1 . 1 33 33 PHE C C 13 178.361 0.00 . 1 . . . . A 98 PHE C . 30765 1 359 . 1 . 1 33 33 PHE CA C 13 63.245 0.00 . 1 . . . . A 98 PHE CA . 30765 1 360 . 1 . 1 33 33 PHE CB C 13 38.636 0.02 . 1 . . . . A 98 PHE CB . 30765 1 361 . 1 . 1 33 33 PHE CD1 C 13 133.242 0.00 . 1 . . . . A 98 PHE CD1 . 30765 1 362 . 1 . 1 33 33 PHE CD2 C 13 133.393 0.00 . 1 . . . . A 98 PHE CD2 . 30765 1 363 . 1 . 1 33 33 PHE CE1 C 13 130.531 0.00 . 1 . . . . A 98 PHE CE1 . 30765 1 364 . 1 . 1 33 33 PHE CE2 C 13 131.339 0.00 . 1 . . . . A 98 PHE CE2 . 30765 1 365 . 1 . 1 33 33 PHE CZ C 13 128.091 0.00 . 1 . . . . A 98 PHE CZ . 30765 1 366 . 1 . 1 33 33 PHE N N 15 119.336 0.00 . 1 . . . . A 98 PHE N . 30765 1 367 . 1 . 1 34 34 PHE H H 1 8.308 0.00 . 1 . . . . A 99 PHE H . 30765 1 368 . 1 . 1 34 34 PHE HA H 1 4.032 0.00 . 1 . . . . A 99 PHE HA . 30765 1 369 . 1 . 1 34 34 PHE HB2 H 1 3.084 0.00 . 1 . . . . A 99 PHE HB2 . 30765 1 370 . 1 . 1 34 34 PHE HB3 H 1 2.757 0.00 . 1 . . . . A 99 PHE HB3 . 30765 1 371 . 1 . 1 34 34 PHE HD1 H 1 7.216 0.00 . 3 . . . . A 99 PHE HD1 . 30765 1 372 . 1 . 1 34 34 PHE HD2 H 1 6.962 0.00 . 3 . . . . A 99 PHE HD2 . 30765 1 373 . 1 . 1 34 34 PHE HE1 H 1 7.228 0.00 . 3 . . . . A 99 PHE HE1 . 30765 1 374 . 1 . 1 34 34 PHE HE2 H 1 7.260 0.02 . 3 . . . . A 99 PHE HE2 . 30765 1 375 . 1 . 1 34 34 PHE HZ H 1 6.309 0.00 . 1 . . . . A 99 PHE HZ . 30765 1 376 . 1 . 1 34 34 PHE C C 13 177.422 0.00 . 1 . . . . A 99 PHE C . 30765 1 377 . 1 . 1 34 34 PHE CA C 13 63.072 0.00 . 1 . . . . A 99 PHE CA . 30765 1 378 . 1 . 1 34 34 PHE CB C 13 38.441 0.06 . 1 . . . . A 99 PHE CB . 30765 1 379 . 1 . 1 34 34 PHE CD1 C 13 133.250 0.00 . 3 . . . . A 99 PHE CD1 . 30765 1 380 . 1 . 1 34 34 PHE CD2 C 13 132.973 0.00 . 3 . . . . A 99 PHE CD2 . 30765 1 381 . 1 . 1 34 34 PHE CE1 C 13 131.486 0.06 . 3 . . . . A 99 PHE CE1 . 30765 1 382 . 1 . 1 34 34 PHE CE2 C 13 129.823 0.01 . 3 . . . . A 99 PHE CE2 . 30765 1 383 . 1 . 1 34 34 PHE CZ C 13 129.667 0.00 . 1 . . . . A 99 PHE CZ . 30765 1 384 . 1 . 1 34 34 PHE N N 15 119.717 0.00 . 1 . . . . A 99 PHE N . 30765 1 385 . 1 . 1 35 35 GLN H H 1 8.649 0.00 . 1 . . . . A 100 GLN H . 30765 1 386 . 1 . 1 35 35 GLN HA H 1 4.048 0.00 . 1 . . . . A 100 GLN HA . 30765 1 387 . 1 . 1 35 35 GLN HB2 H 1 2.319 0.00 . 2 . . . . A 100 GLN HB2 . 30765 1 388 . 1 . 1 35 35 GLN HB3 H 1 2.018 0.00 . 2 . . . . A 100 GLN HB3 . 30765 1 389 . 1 . 1 35 35 GLN HG2 H 1 2.540 0.00 . 1 . . . . A 100 GLN HG2 . 30765 1 390 . 1 . 1 35 35 GLN HG3 H 1 2.540 0.00 . 1 . . . . A 100 GLN HG3 . 30765 1 391 . 1 . 1 35 35 GLN HE21 H 1 7.303 0.00 . 2 . . . . A 100 GLN HE21 . 30765 1 392 . 1 . 1 35 35 GLN HE22 H 1 6.810 0.00 . 2 . . . . A 100 GLN HE22 . 30765 1 393 . 1 . 1 35 35 GLN C C 13 178.597 0.00 . 1 . . . . A 100 GLN C . 30765 1 394 . 1 . 1 35 35 GLN CA C 13 58.840 0.00 . 1 . . . . A 100 GLN CA . 30765 1 395 . 1 . 1 35 35 GLN CB C 13 28.261 0.02 . 1 . . . . A 100 GLN CB . 30765 1 396 . 1 . 1 35 35 GLN CG C 13 34.572 0.00 . 1 . . . . A 100 GLN CG . 30765 1 397 . 1 . 1 35 35 GLN N N 15 119.899 0.00 . 1 . . . . A 100 GLN N . 30765 1 398 . 1 . 1 35 35 GLN NE2 N 15 110.594 0.00 . 1 . . . . A 100 GLN NE2 . 30765 1 399 . 1 . 1 36 36 GLU H H 1 7.372 0.00 . 1 . . . . A 101 GLU H . 30765 1 400 . 1 . 1 36 36 GLU HA H 1 3.887 0.00 . 1 . . . . A 101 GLU HA . 30765 1 401 . 1 . 1 36 36 GLU HB2 H 1 2.001 0.00 . 2 . . . . A 101 GLU HB2 . 30765 1 402 . 1 . 1 36 36 GLU HB3 H 1 1.377 0.00 . 2 . . . . A 101 GLU HB3 . 30765 1 403 . 1 . 1 36 36 GLU HG2 H 1 2.530 0.00 . 2 . . . . A 101 GLU HG2 . 30765 1 404 . 1 . 1 36 36 GLU HG3 H 1 2.485 0.00 . 2 . . . . A 101 GLU HG3 . 30765 1 405 . 1 . 1 36 36 GLU C C 13 176.216 0.00 . 1 . . . . A 101 GLU C . 30765 1 406 . 1 . 1 36 36 GLU CA C 13 56.958 0.00 . 1 . . . . A 101 GLU CA . 30765 1 407 . 1 . 1 36 36 GLU CB C 13 30.857 0.04 . 1 . . . . A 101 GLU CB . 30765 1 408 . 1 . 1 36 36 GLU CG C 13 35.959 0.04 . 1 . . . . A 101 GLU CG . 30765 1 409 . 1 . 1 36 36 GLU N N 15 116.560 0.00 . 1 . . . . A 101 GLU N . 30765 1 410 . 1 . 1 37 37 HIS H H 1 7.205 0.00 . 1 . . . . A 102 HIS H . 30765 1 411 . 1 . 1 37 37 HIS HA H 1 4.640 0.00 . 1 . . . . A 102 HIS HA . 30765 1 412 . 1 . 1 37 37 HIS HB2 H 1 3.200 0.00 . 1 . . . . A 102 HIS HB2 . 30765 1 413 . 1 . 1 37 37 HIS HB3 H 1 3.200 0.00 . 1 . . . . A 102 HIS HB3 . 30765 1 414 . 1 . 1 37 37 HIS HD2 H 1 5.983 0.00 . 1 . . . . A 102 HIS HD2 . 30765 1 415 . 1 . 1 37 37 HIS HE1 H 1 7.944 0.00 . 1 . . . . A 102 HIS HE1 . 30765 1 416 . 1 . 1 37 37 HIS CA C 13 56.468 0.00 . 1 . . . . A 102 HIS CA . 30765 1 417 . 1 . 1 37 37 HIS CB C 13 28.343 0.00 . 1 . . . . A 102 HIS CB . 30765 1 418 . 1 . 1 37 37 HIS CD2 C 13 120.340 0.00 . 1 . . . . A 102 HIS CD2 . 30765 1 419 . 1 . 1 37 37 HIS CE1 C 13 135.250 0.00 . 1 . . . . A 102 HIS CE1 . 30765 1 420 . 1 . 1 37 37 HIS N N 15 115.374 0.00 . 1 . . . . A 102 HIS N . 30765 1 421 . 1 . 1 38 38 PRO HA H 1 4.534 0.00 . 1 . . . . A 103 PRO HA . 30765 1 422 . 1 . 1 38 38 PRO HB2 H 1 2.258 0.00 . 1 . . . . A 103 PRO HB2 . 30765 1 423 . 1 . 1 38 38 PRO HB3 H 1 1.948 0.00 . 1 . . . . A 103 PRO HB3 . 30765 1 424 . 1 . 1 38 38 PRO HG2 H 1 1.775 0.00 . 1 . . . . A 103 PRO HG2 . 30765 1 425 . 1 . 1 38 38 PRO HG3 H 1 1.775 0.00 . 1 . . . . A 103 PRO HG3 . 30765 1 426 . 1 . 1 38 38 PRO HD2 H 1 3.436 0.00 . 2 . . . . A 103 PRO HD2 . 30765 1 427 . 1 . 1 38 38 PRO HD3 H 1 3.183 0.00 . 2 . . . . A 103 PRO HD3 . 30765 1 428 . 1 . 1 38 38 PRO C C 13 178.892 0.00 . 1 . . . . A 103 PRO C . 30765 1 429 . 1 . 1 38 38 PRO CA C 13 64.692 0.00 . 1 . . . . A 103 PRO CA . 30765 1 430 . 1 . 1 38 38 PRO CB C 13 32.130 0.06 . 1 . . . . A 103 PRO CB . 30765 1 431 . 1 . 1 38 38 PRO CG C 13 26.954 0.00 . 1 . . . . A 103 PRO CG . 30765 1 432 . 1 . 1 38 38 PRO CD C 13 50.230 0.01 . 1 . . . . A 103 PRO CD . 30765 1 433 . 1 . 1 39 39 GLN H H 1 9.521 0.00 . 1 . . . . A 104 GLN H . 30765 1 434 . 1 . 1 39 39 GLN HA H 1 4.018 0.00 . 1 . . . . A 104 GLN HA . 30765 1 435 . 1 . 1 39 39 GLN HB2 H 1 1.967 0.00 . 2 . . . . A 104 GLN HB2 . 30765 1 436 . 1 . 1 39 39 GLN HB3 H 1 1.796 0.00 . 2 . . . . A 104 GLN HB3 . 30765 1 437 . 1 . 1 39 39 GLN HG2 H 1 1.492 0.00 . 1 . . . . A 104 GLN HG2 . 30765 1 438 . 1 . 1 39 39 GLN HG3 H 1 1.492 0.00 . 1 . . . . A 104 GLN HG3 . 30765 1 439 . 1 . 1 39 39 GLN HE21 H 1 7.681 0.00 . 2 . . . . A 104 GLN HE21 . 30765 1 440 . 1 . 1 39 39 GLN HE22 H 1 7.142 0.00 . 2 . . . . A 104 GLN HE22 . 30765 1 441 . 1 . 1 39 39 GLN C C 13 177.679 0.00 . 1 . . . . A 104 GLN C . 30765 1 442 . 1 . 1 39 39 GLN CA C 13 58.648 0.00 . 1 . . . . A 104 GLN CA . 30765 1 443 . 1 . 1 39 39 GLN CB C 13 26.950 0.02 . 1 . . . . A 104 GLN CB . 30765 1 444 . 1 . 1 39 39 GLN CG C 13 31.725 0.00 . 1 . . . . A 104 GLN CG . 30765 1 445 . 1 . 1 39 39 GLN N N 15 122.509 0.00 . 1 . . . . A 104 GLN N . 30765 1 446 . 1 . 1 39 39 GLN NE2 N 15 112.181 0.04 . 1 . . . . A 104 GLN NE2 . 30765 1 447 . 1 . 1 40 40 TYR H H 1 6.973 0.00 . 1 . . . . A 105 TYR H . 30765 1 448 . 1 . 1 40 40 TYR HA H 1 4.342 0.00 . 1 . . . . A 105 TYR HA . 30765 1 449 . 1 . 1 40 40 TYR HB2 H 1 3.284 0.00 . 2 . . . . A 105 TYR HB2 . 30765 1 450 . 1 . 1 40 40 TYR HB3 H 1 3.250 0.00 . 2 . . . . A 105 TYR HB3 . 30765 1 451 . 1 . 1 40 40 TYR HD1 H 1 8.388 0.00 . 1 . . . . A 105 TYR HD1 . 30765 1 452 . 1 . 1 40 40 TYR HD2 H 1 8.388 0.00 . 1 . . . . A 105 TYR HD2 . 30765 1 453 . 1 . 1 40 40 TYR HE1 H 1 7.073 0.00 . 1 . . . . A 105 TYR HE1 . 30765 1 454 . 1 . 1 40 40 TYR HE2 H 1 7.073 0.00 . 1 . . . . A 105 TYR HE2 . 30765 1 455 . 1 . 1 40 40 TYR C C 13 175.244 0.00 . 1 . . . . A 105 TYR C . 30765 1 456 . 1 . 1 40 40 TYR CA C 13 61.216 0.00 . 1 . . . . A 105 TYR CA . 30765 1 457 . 1 . 1 40 40 TYR CB C 13 39.140 0.01 . 1 . . . . A 105 TYR CB . 30765 1 458 . 1 . 1 40 40 TYR CD1 C 13 137.318 0.00 . 1 . . . . A 105 TYR CD1 . 30765 1 459 . 1 . 1 40 40 TYR CD2 C 13 137.318 0.00 . 1 . . . . A 105 TYR CD2 . 30765 1 460 . 1 . 1 40 40 TYR CE1 C 13 119.845 0.00 . 1 . . . . A 105 TYR CE1 . 30765 1 461 . 1 . 1 40 40 TYR CE2 C 13 119.845 0.00 . 1 . . . . A 105 TYR CE2 . 30765 1 462 . 1 . 1 40 40 TYR N N 15 116.171 0.00 . 1 . . . . A 105 TYR N . 30765 1 463 . 1 . 1 41 41 MET H H 1 7.612 0.00 . 1 . . . . A 106 MET H . 30765 1 464 . 1 . 1 41 41 MET HA H 1 4.469 0.00 . 1 . . . . A 106 MET HA . 30765 1 465 . 1 . 1 41 41 MET HB2 H 1 1.914 0.00 . 2 . . . . A 106 MET HB2 . 30765 1 466 . 1 . 1 41 41 MET HB3 H 1 1.760 0.00 . 2 . . . . A 106 MET HB3 . 30765 1 467 . 1 . 1 41 41 MET HG2 H 1 2.290 0.00 . 1 . . . . A 106 MET HG2 . 30765 1 468 . 1 . 1 41 41 MET HG3 H 1 2.290 0.00 . 1 . . . . A 106 MET HG3 . 30765 1 469 . 1 . 1 41 41 MET C C 13 176.652 0.00 . 1 . . . . A 106 MET C . 30765 1 470 . 1 . 1 41 41 MET CA C 13 54.809 0.00 . 1 . . . . A 106 MET CA . 30765 1 471 . 1 . 1 41 41 MET CB C 13 33.724 0.03 . 1 . . . . A 106 MET CB . 30765 1 472 . 1 . 1 41 41 MET CG C 13 32.692 0.00 . 1 . . . . A 106 MET CG . 30765 1 473 . 1 . 1 41 41 MET N N 15 112.219 0.00 . 1 . . . . A 106 MET N . 30765 1 474 . 1 . 1 42 42 ARG H H 1 7.292 0.00 . 1 . . . . A 107 ARG H . 30765 1 475 . 1 . 1 42 42 ARG HA H 1 4.362 0.00 . 1 . . . . A 107 ARG HA . 30765 1 476 . 1 . 1 42 42 ARG HB2 H 1 1.658 0.00 . 2 . . . . A 107 ARG HB2 . 30765 1 477 . 1 . 1 42 42 ARG HB3 H 1 1.917 0.00 . 2 . . . . A 107 ARG HB3 . 30765 1 478 . 1 . 1 42 42 ARG HG2 H 1 1.648 0.00 . 1 . . . . A 107 ARG HG2 . 30765 1 479 . 1 . 1 42 42 ARG HG3 H 1 1.648 0.00 . 1 . . . . A 107 ARG HG3 . 30765 1 480 . 1 . 1 42 42 ARG HD2 H 1 3.145 0.00 . 2 . . . . A 107 ARG HD2 . 30765 1 481 . 1 . 1 42 42 ARG HD3 H 1 3.122 0.00 . 2 . . . . A 107 ARG HD3 . 30765 1 482 . 1 . 1 42 42 ARG C C 13 175.854 0.00 . 1 . . . . A 107 ARG C . 30765 1 483 . 1 . 1 42 42 ARG CA C 13 56.965 0.00 . 1 . . . . A 107 ARG CA . 30765 1 484 . 1 . 1 42 42 ARG CB C 13 31.904 0.02 . 1 . . . . A 107 ARG CB . 30765 1 485 . 1 . 1 42 42 ARG CG C 13 27.129 0.00 . 1 . . . . A 107 ARG CG . 30765 1 486 . 1 . 1 42 42 ARG CD C 13 43.600 0.02 . 1 . . . . A 107 ARG CD . 30765 1 487 . 1 . 1 42 42 ARG N N 15 116.828 0.00 . 1 . . . . A 107 ARG N . 30765 1 488 . 1 . 1 43 43 SER H H 1 7.476 0.00 . 1 . . . . A 108 SER H . 30765 1 489 . 1 . 1 43 43 SER HA H 1 4.923 0.03 . 1 . . . . A 108 SER HA . 30765 1 490 . 1 . 1 43 43 SER HB2 H 1 4.052 0.00 . 2 . . . . A 108 SER HB2 . 30765 1 491 . 1 . 1 43 43 SER HB3 H 1 3.943 0.00 . 2 . . . . A 108 SER HB3 . 30765 1 492 . 1 . 1 43 43 SER C C 13 174.280 0.00 . 1 . . . . A 108 SER C . 30765 1 493 . 1 . 1 43 43 SER CA C 13 55.579 0.00 . 1 . . . . A 108 SER CA . 30765 1 494 . 1 . 1 43 43 SER CB C 13 64.278 0.05 . 1 . . . . A 108 SER CB . 30765 1 495 . 1 . 1 43 43 SER N N 15 112.780 0.00 . 1 . . . . A 108 SER N . 30765 1 496 . 1 . 1 44 44 LYS H H 1 9.008 0.00 . 1 . . . . A 109 LYS H . 30765 1 497 . 1 . 1 44 44 LYS HA H 1 4.317 0.00 . 1 . . . . A 109 LYS HA . 30765 1 498 . 1 . 1 44 44 LYS HB2 H 1 1.946 0.00 . 2 . . . . A 109 LYS HB2 . 30765 1 499 . 1 . 1 44 44 LYS HB3 H 1 1.892 0.00 . 2 . . . . A 109 LYS HB3 . 30765 1 500 . 1 . 1 44 44 LYS HG2 H 1 1.744 0.00 . 2 . . . . A 109 LYS HG2 . 30765 1 501 . 1 . 1 44 44 LYS HG3 H 1 1.531 0.00 . 2 . . . . A 109 LYS HG3 . 30765 1 502 . 1 . 1 44 44 LYS HD2 H 1 1.738 0.00 . 1 . . . . A 109 LYS HD2 . 30765 1 503 . 1 . 1 44 44 LYS HD3 H 1 1.738 0.00 . 1 . . . . A 109 LYS HD3 . 30765 1 504 . 1 . 1 44 44 LYS HE2 H 1 3.451 0.00 . 2 . . . . A 109 LYS HE2 . 30765 1 505 . 1 . 1 44 44 LYS HE3 H 1 2.998 0.00 . 2 . . . . A 109 LYS HE3 . 30765 1 506 . 1 . 1 44 44 LYS C C 13 178.495 0.00 . 1 . . . . A 109 LYS C . 30765 1 507 . 1 . 1 44 44 LYS CA C 13 59.094 0.00 . 1 . . . . A 109 LYS CA . 30765 1 508 . 1 . 1 44 44 LYS CB C 13 32.367 0.01 . 1 . . . . A 109 LYS CB . 30765 1 509 . 1 . 1 44 44 LYS CG C 13 24.709 0.05 . 1 . . . . A 109 LYS CG . 30765 1 510 . 1 . 1 44 44 LYS CD C 13 29.233 0.00 . 1 . . . . A 109 LYS CD . 30765 1 511 . 1 . 1 44 44 LYS CE C 13 42.102 0.01 . 1 . . . . A 109 LYS CE . 30765 1 512 . 1 . 1 44 44 LYS N N 15 129.865 0.00 . 1 . . . . A 109 LYS N . 30765 1 513 . 1 . 1 45 45 GLU H H 1 8.744 0.00 . 1 . . . . A 110 GLU H . 30765 1 514 . 1 . 1 45 45 GLU HA H 1 4.161 0.00 . 1 . . . . A 110 GLU HA . 30765 1 515 . 1 . 1 45 45 GLU HB2 H 1 2.024 0.00 . 1 . . . . A 110 GLU HB2 . 30765 1 516 . 1 . 1 45 45 GLU HB3 H 1 2.024 0.00 . 1 . . . . A 110 GLU HB3 . 30765 1 517 . 1 . 1 45 45 GLU HG2 H 1 2.448 0.00 . 1 . . . . A 110 GLU HG2 . 30765 1 518 . 1 . 1 45 45 GLU HG3 H 1 2.300 0.00 . 1 . . . . A 110 GLU HG3 . 30765 1 519 . 1 . 1 45 45 GLU C C 13 179.475 0.00 . 1 . . . . A 110 GLU C . 30765 1 520 . 1 . 1 45 45 GLU CA C 13 60.049 0.00 . 1 . . . . A 110 GLU CA . 30765 1 521 . 1 . 1 45 45 GLU CB C 13 29.046 0.00 . 1 . . . . A 110 GLU CB . 30765 1 522 . 1 . 1 45 45 GLU CG C 13 36.880 0.03 . 1 . . . . A 110 GLU CG . 30765 1 523 . 1 . 1 45 45 GLU N N 15 118.963 0.00 . 1 . . . . A 110 GLU N . 30765 1 524 . 1 . 1 46 46 ASP H H 1 7.879 0.00 . 1 . . . . A 111 ASP H . 30765 1 525 . 1 . 1 46 46 ASP HA H 1 4.597 0.00 . 1 . . . . A 111 ASP HA . 30765 1 526 . 1 . 1 46 46 ASP HB2 H 1 2.780 0.00 . 1 . . . . A 111 ASP HB2 . 30765 1 527 . 1 . 1 46 46 ASP HB3 H 1 2.780 0.00 . 1 . . . . A 111 ASP HB3 . 30765 1 528 . 1 . 1 46 46 ASP C C 13 178.163 0.00 . 1 . . . . A 111 ASP C . 30765 1 529 . 1 . 1 46 46 ASP CA C 13 58.214 0.00 . 1 . . . . A 111 ASP CA . 30765 1 530 . 1 . 1 46 46 ASP CB C 13 40.519 0.00 . 1 . . . . A 111 ASP CB . 30765 1 531 . 1 . 1 46 46 ASP N N 15 120.599 0.00 . 1 . . . . A 111 ASP N . 30765 1 532 . 1 . 1 47 47 GLU H H 1 8.531 0.00 . 1 . . . . A 112 GLU H . 30765 1 533 . 1 . 1 47 47 GLU HA H 1 4.213 0.00 . 1 . . . . A 112 GLU HA . 30765 1 534 . 1 . 1 47 47 GLU HB2 H 1 2.893 0.01 . 1 . . . . A 112 GLU HB2 . 30765 1 535 . 1 . 1 47 47 GLU HB3 H 1 2.519 0.00 . 1 . . . . A 112 GLU HB3 . 30765 1 536 . 1 . 1 47 47 GLU HG2 H 1 2.607 0.00 . 1 . . . . A 112 GLU HG2 . 30765 1 537 . 1 . 1 47 47 GLU HG3 H 1 2.607 0.00 . 1 . . . . A 112 GLU HG3 . 30765 1 538 . 1 . 1 47 47 GLU C C 13 178.638 0.00 . 1 . . . . A 112 GLU C . 30765 1 539 . 1 . 1 47 47 GLU CA C 13 61.073 0.00 . 1 . . . . A 112 GLU CA . 30765 1 540 . 1 . 1 47 47 GLU CB C 13 30.021 0.07 . 1 . . . . A 112 GLU CB . 30765 1 541 . 1 . 1 47 47 GLU CG C 13 36.425 0.00 . 1 . . . . A 112 GLU CG . 30765 1 542 . 1 . 1 47 47 GLU N N 15 121.663 0.00 . 1 . . . . A 112 GLU N . 30765 1 543 . 1 . 1 48 48 GLU H H 1 8.474 0.00 . 1 . . . . A 113 GLU H . 30765 1 544 . 1 . 1 48 48 GLU HA H 1 4.145 0.00 . 1 . . . . A 113 GLU HA . 30765 1 545 . 1 . 1 48 48 GLU HB2 H 1 2.205 0.00 . 2 . . . . A 113 GLU HB2 . 30765 1 546 . 1 . 1 48 48 GLU HB3 H 1 2.088 0.00 . 2 . . . . A 113 GLU HB3 . 30765 1 547 . 1 . 1 48 48 GLU HG2 H 1 2.456 0.00 . 1 . . . . A 113 GLU HG2 . 30765 1 548 . 1 . 1 48 48 GLU HG3 H 1 2.456 0.00 . 1 . . . . A 113 GLU HG3 . 30765 1 549 . 1 . 1 48 48 GLU C C 13 179.789 0.00 . 1 . . . . A 113 GLU C . 30765 1 550 . 1 . 1 48 48 GLU CA C 13 59.200 0.00 . 1 . . . . A 113 GLU CA . 30765 1 551 . 1 . 1 48 48 GLU CB C 13 29.374 0.04 . 1 . . . . A 113 GLU CB . 30765 1 552 . 1 . 1 48 48 GLU CG C 13 36.545 0.00 . 1 . . . . A 113 GLU CG . 30765 1 553 . 1 . 1 48 48 GLU N N 15 117.774 0.00 . 1 . . . . A 113 GLU N . 30765 1 554 . 1 . 1 49 49 GLN H H 1 8.047 0.00 . 1 . . . . A 114 GLN H . 30765 1 555 . 1 . 1 49 49 GLN HA H 1 4.251 0.00 . 1 . . . . A 114 GLN HA . 30765 1 556 . 1 . 1 49 49 GLN HB2 H 1 2.523 0.00 . 2 . . . . A 114 GLN HB2 . 30765 1 557 . 1 . 1 49 49 GLN HB3 H 1 2.421 0.00 . 2 . . . . A 114 GLN HB3 . 30765 1 558 . 1 . 1 49 49 GLN HG2 H 1 2.771 0.00 . 2 . . . . A 114 GLN HG2 . 30765 1 559 . 1 . 1 49 49 GLN HG3 H 1 2.554 0.00 . 2 . . . . A 114 GLN HG3 . 30765 1 560 . 1 . 1 49 49 GLN HE21 H 1 7.523 0.00 . 1 . . . . A 114 GLN HE21 . 30765 1 561 . 1 . 1 49 49 GLN HE22 H 1 6.895 0.00 . 1 . . . . A 114 GLN HE22 . 30765 1 562 . 1 . 1 49 49 GLN C C 13 179.353 0.00 . 1 . . . . A 114 GLN C . 30765 1 563 . 1 . 1 49 49 GLN CA C 13 59.108 0.00 . 1 . . . . A 114 GLN CA . 30765 1 564 . 1 . 1 49 49 GLN CB C 13 28.815 0.02 . 1 . . . . A 114 GLN CB . 30765 1 565 . 1 . 1 49 49 GLN CG C 13 34.603 0.01 . 1 . . . . A 114 GLN CG . 30765 1 566 . 1 . 1 49 49 GLN N N 15 120.173 0.00 . 1 . . . . A 114 GLN N . 30765 1 567 . 1 . 1 49 49 GLN NE2 N 15 111.725 0.09 . 1 . . . . A 114 GLN NE2 . 30765 1 568 . 1 . 1 50 50 LEU H H 1 8.509 0.00 . 1 . . . . A 115 LEU H . 30765 1 569 . 1 . 1 50 50 LEU HA H 1 4.178 0.00 . 1 . . . . A 115 LEU HA . 30765 1 570 . 1 . 1 50 50 LEU HB2 H 1 2.081 0.00 . 1 . . . . A 115 LEU HB2 . 30765 1 571 . 1 . 1 50 50 LEU HB3 H 1 1.275 0.00 . 1 . . . . A 115 LEU HB3 . 30765 1 572 . 1 . 1 50 50 LEU HG H 1 1.493 0.00 . 1 . . . . A 115 LEU HG . 30765 1 573 . 1 . 1 50 50 LEU HD11 H 1 0.703 0.00 . 1 . . . . A 115 LEU HD11 . 30765 1 574 . 1 . 1 50 50 LEU HD12 H 1 0.703 0.00 . 1 . . . . A 115 LEU HD12 . 30765 1 575 . 1 . 1 50 50 LEU HD13 H 1 0.703 0.00 . 1 . . . . A 115 LEU HD13 . 30765 1 576 . 1 . 1 50 50 LEU HD21 H 1 -0.180 0.00 . 1 . . . . A 115 LEU HD21 . 30765 1 577 . 1 . 1 50 50 LEU HD22 H 1 -0.180 0.00 . 1 . . . . A 115 LEU HD22 . 30765 1 578 . 1 . 1 50 50 LEU HD23 H 1 -0.180 0.00 . 1 . . . . A 115 LEU HD23 . 30765 1 579 . 1 . 1 50 50 LEU C C 13 178.580 0.00 . 1 . . . . A 115 LEU C . 30765 1 580 . 1 . 1 50 50 LEU CA C 13 58.369 0.00 . 1 . . . . A 115 LEU CA . 30765 1 581 . 1 . 1 50 50 LEU CB C 13 40.316 0.05 . 1 . . . . A 115 LEU CB . 30765 1 582 . 1 . 1 50 50 LEU CG C 13 27.420 0.00 . 1 . . . . A 115 LEU CG . 30765 1 583 . 1 . 1 50 50 LEU CD1 C 13 25.069 0.00 . 1 . . . . A 115 LEU CD1 . 30765 1 584 . 1 . 1 50 50 LEU CD2 C 13 24.894 0.00 . 1 . . . . A 115 LEU CD2 . 30765 1 585 . 1 . 1 50 50 LEU N N 15 120.949 0.00 . 1 . . . . A 115 LEU N . 30765 1 586 . 1 . 1 51 51 MET H H 1 8.947 0.00 . 1 . . . . A 116 MET H . 30765 1 587 . 1 . 1 51 51 MET HA H 1 4.639 0.00 . 1 . . . . A 116 MET HA . 30765 1 588 . 1 . 1 51 51 MET HB2 H 1 2.319 0.00 . 2 . . . . A 116 MET HB2 . 30765 1 589 . 1 . 1 51 51 MET HB3 H 1 2.001 0.00 . 2 . . . . A 116 MET HB3 . 30765 1 590 . 1 . 1 51 51 MET HG2 H 1 2.530 0.00 . 1 . . . . A 116 MET HG2 . 30765 1 591 . 1 . 1 51 51 MET HG3 H 1 2.530 0.00 . 1 . . . . A 116 MET HG3 . 30765 1 592 . 1 . 1 51 51 MET C C 13 177.858 0.00 . 1 . . . . A 116 MET C . 30765 1 593 . 1 . 1 51 51 MET CA C 13 57.907 0.00 . 1 . . . . A 116 MET CA . 30765 1 594 . 1 . 1 51 51 MET CB C 13 29.299 0.01 . 1 . . . . A 116 MET CB . 30765 1 595 . 1 . 1 51 51 MET CG C 13 32.480 0.00 . 1 . . . . A 116 MET CG . 30765 1 596 . 1 . 1 51 51 MET N N 15 120.724 0.00 . 1 . . . . A 116 MET N . 30765 1 597 . 1 . 1 52 52 THR H H 1 8.274 0.00 . 1 . . . . A 117 THR H . 30765 1 598 . 1 . 1 52 52 THR HA H 1 3.878 0.00 . 1 . . . . A 117 THR HA . 30765 1 599 . 1 . 1 52 52 THR HB H 1 4.482 0.00 . 1 . . . . A 117 THR HB . 30765 1 600 . 1 . 1 52 52 THR HG21 H 1 1.291 0.00 . 1 . . . . A 117 THR HG21 . 30765 1 601 . 1 . 1 52 52 THR HG22 H 1 1.291 0.00 . 1 . . . . A 117 THR HG22 . 30765 1 602 . 1 . 1 52 52 THR HG23 H 1 1.291 0.00 . 1 . . . . A 117 THR HG23 . 30765 1 603 . 1 . 1 52 52 THR C C 13 176.998 0.00 . 1 . . . . A 117 THR C . 30765 1 604 . 1 . 1 52 52 THR CA C 13 67.127 0.00 . 1 . . . . A 117 THR CA . 30765 1 605 . 1 . 1 52 52 THR CB C 13 68.855 0.00 . 1 . . . . A 117 THR CB . 30765 1 606 . 1 . 1 52 52 THR CG2 C 13 21.902 0.00 . 1 . . . . A 117 THR CG2 . 30765 1 607 . 1 . 1 52 52 THR N N 15 116.745 0.00 . 1 . . . . A 117 THR N . 30765 1 608 . 1 . 1 53 53 GLU H H 1 7.644 0.00 . 1 . . . . A 118 GLU H . 30765 1 609 . 1 . 1 53 53 GLU HA H 1 4.208 0.00 . 1 . . . . A 118 GLU HA . 30765 1 610 . 1 . 1 53 53 GLU HB2 H 1 2.266 0.00 . 1 . . . . A 118 GLU HB2 . 30765 1 611 . 1 . 1 53 53 GLU HB3 H 1 2.266 0.00 . 1 . . . . A 118 GLU HB3 . 30765 1 612 . 1 . 1 53 53 GLU HG2 H 1 2.638 0.00 . 2 . . . . A 118 GLU HG2 . 30765 1 613 . 1 . 1 53 53 GLU HG3 H 1 2.586 0.00 . 2 . . . . A 118 GLU HG3 . 30765 1 614 . 1 . 1 53 53 GLU C C 13 177.981 0.00 . 1 . . . . A 118 GLU C . 30765 1 615 . 1 . 1 53 53 GLU CA C 13 58.687 0.00 . 1 . . . . A 118 GLU CA . 30765 1 616 . 1 . 1 53 53 GLU CB C 13 29.747 0.00 . 1 . . . . A 118 GLU CB . 30765 1 617 . 1 . 1 53 53 GLU CG C 13 36.026 0.01 . 1 . . . . A 118 GLU CG . 30765 1 618 . 1 . 1 53 53 GLU N N 15 120.722 0.00 . 1 . . . . A 118 GLU N . 30765 1 619 . 1 . 1 54 54 PHE H H 1 9.722 0.00 . 1 . . . . A 119 PHE H . 30765 1 620 . 1 . 1 54 54 PHE HA H 1 4.214 0.00 . 1 . . . . A 119 PHE HA . 30765 1 621 . 1 . 1 54 54 PHE HB2 H 1 3.280 0.00 . 1 . . . . A 119 PHE HB2 . 30765 1 622 . 1 . 1 54 54 PHE HB3 H 1 3.280 0.00 . 1 . . . . A 119 PHE HB3 . 30765 1 623 . 1 . 1 54 54 PHE HD1 H 1 7.283 0.00 . 1 . . . . A 119 PHE HD1 . 30765 1 624 . 1 . 1 54 54 PHE HD2 H 1 7.266 0.00 . 1 . . . . A 119 PHE HD2 . 30765 1 625 . 1 . 1 54 54 PHE HE1 H 1 7.517 0.00 . 1 . . . . A 119 PHE HE1 . 30765 1 626 . 1 . 1 54 54 PHE HE2 H 1 7.517 0.00 . 1 . . . . A 119 PHE HE2 . 30765 1 627 . 1 . 1 54 54 PHE HZ H 1 7.370 0.00 . 1 . . . . A 119 PHE HZ . 30765 1 628 . 1 . 1 54 54 PHE C C 13 176.631 0.00 . 1 . . . . A 119 PHE C . 30765 1 629 . 1 . 1 54 54 PHE CA C 13 60.897 0.00 . 1 . . . . A 119 PHE CA . 30765 1 630 . 1 . 1 54 54 PHE CB C 13 40.750 0.00 . 1 . . . . A 119 PHE CB . 30765 1 631 . 1 . 1 54 54 PHE CD1 C 13 131.493 0.00 . 1 . . . . A 119 PHE CD1 . 30765 1 632 . 1 . 1 54 54 PHE CD2 C 13 132.469 0.00 . 1 . . . . A 119 PHE CD2 . 30765 1 633 . 1 . 1 54 54 PHE CE1 C 13 131.349 0.00 . 1 . . . . A 119 PHE CE1 . 30765 1 634 . 1 . 1 54 54 PHE CE2 C 13 131.349 0.00 . 1 . . . . A 119 PHE CE2 . 30765 1 635 . 1 . 1 54 54 PHE CZ C 13 128.828 0.00 . 1 . . . . A 119 PHE CZ . 30765 1 636 . 1 . 1 54 54 PHE N N 15 123.416 0.00 . 1 . . . . A 119 PHE N . 30765 1 637 . 1 . 1 55 55 LYS H H 1 8.407 0.00 . 1 . . . . A 120 LYS H . 30765 1 638 . 1 . 1 55 55 LYS HA H 1 3.629 0.00 . 1 . . . . A 120 LYS HA . 30765 1 639 . 1 . 1 55 55 LYS HB2 H 1 1.875 0.00 . 1 . . . . A 120 LYS HB2 . 30765 1 640 . 1 . 1 55 55 LYS HB3 H 1 1.844 0.00 . 1 . . . . A 120 LYS HB3 . 30765 1 641 . 1 . 1 55 55 LYS HG2 H 1 1.302 0.00 . 1 . . . . A 120 LYS HG2 . 30765 1 642 . 1 . 1 55 55 LYS HG3 H 1 1.302 0.00 . 1 . . . . A 120 LYS HG3 . 30765 1 643 . 1 . 1 55 55 LYS HD2 H 1 1.728 0.00 . 2 . . . . A 120 LYS HD2 . 30765 1 644 . 1 . 1 55 55 LYS HD3 H 1 1.700 0.00 . 2 . . . . A 120 LYS HD3 . 30765 1 645 . 1 . 1 55 55 LYS HE2 H 1 3.016 0.00 . 1 . . . . A 120 LYS HE2 . 30765 1 646 . 1 . 1 55 55 LYS HE3 H 1 3.016 0.00 . 1 . . . . A 120 LYS HE3 . 30765 1 647 . 1 . 1 55 55 LYS C C 13 178.741 0.00 . 1 . . . . A 120 LYS C . 30765 1 648 . 1 . 1 55 55 LYS CA C 13 60.747 0.00 . 1 . . . . A 120 LYS CA . 30765 1 649 . 1 . 1 55 55 LYS CB C 13 32.557 0.06 . 1 . . . . A 120 LYS CB . 30765 1 650 . 1 . 1 55 55 LYS CG C 13 27.002 0.00 . 1 . . . . A 120 LYS CG . 30765 1 651 . 1 . 1 55 55 LYS CD C 13 29.780 0.00 . 1 . . . . A 120 LYS CD . 30765 1 652 . 1 . 1 55 55 LYS CE C 13 42.061 0.00 . 1 . . . . A 120 LYS CE . 30765 1 653 . 1 . 1 55 55 LYS N N 15 116.133 0.00 . 1 . . . . A 120 LYS N . 30765 1 654 . 1 . 1 56 56 LYS H H 1 7.103 0.00 . 1 . . . . A 121 LYS H . 30765 1 655 . 1 . 1 56 56 LYS HA H 1 3.963 0.00 . 1 . . . . A 121 LYS HA . 30765 1 656 . 1 . 1 56 56 LYS HB2 H 1 1.860 0.00 . 1 . . . . A 121 LYS HB2 . 30765 1 657 . 1 . 1 56 56 LYS HB3 H 1 1.860 0.00 . 1 . . . . A 121 LYS HB3 . 30765 1 658 . 1 . 1 56 56 LYS HG2 H 1 1.415 0.00 . 1 . . . . A 121 LYS HG2 . 30765 1 659 . 1 . 1 56 56 LYS HG3 H 1 1.370 0.00 . 1 . . . . A 121 LYS HG3 . 30765 1 660 . 1 . 1 56 56 LYS HD2 H 1 1.706 0.00 . 2 . . . . A 121 LYS HD2 . 30765 1 661 . 1 . 1 56 56 LYS HD3 H 1 1.666 0.00 . 2 . . . . A 121 LYS HD3 . 30765 1 662 . 1 . 1 56 56 LYS HE2 H 1 2.926 0.00 . 1 . . . . A 121 LYS HE2 . 30765 1 663 . 1 . 1 56 56 LYS HE3 H 1 2.926 0.00 . 1 . . . . A 121 LYS HE3 . 30765 1 664 . 1 . 1 56 56 LYS C C 13 180.176 0.00 . 1 . . . . A 121 LYS C . 30765 1 665 . 1 . 1 56 56 LYS CA C 13 60.099 0.00 . 1 . . . . A 121 LYS CA . 30765 1 666 . 1 . 1 56 56 LYS CB C 13 32.651 0.00 . 1 . . . . A 121 LYS CB . 30765 1 667 . 1 . 1 56 56 LYS CG C 13 25.503 0.01 . 1 . . . . A 121 LYS CG . 30765 1 668 . 1 . 1 56 56 LYS CD C 13 29.942 0.01 . 1 . . . . A 121 LYS CD . 30765 1 669 . 1 . 1 56 56 LYS CE C 13 42.071 0.00 . 1 . . . . A 121 LYS CE . 30765 1 670 . 1 . 1 56 56 LYS N N 15 116.699 0.00 . 1 . . . . A 121 LYS N . 30765 1 671 . 1 . 1 57 57 VAL H H 1 8.361 0.00 . 1 . . . . A 122 VAL H . 30765 1 672 . 1 . 1 57 57 VAL HA H 1 3.488 0.00 . 1 . . . . A 122 VAL HA . 30765 1 673 . 1 . 1 57 57 VAL HB H 1 2.210 0.00 . 1 . . . . A 122 VAL HB . 30765 1 674 . 1 . 1 57 57 VAL HG11 H 1 1.010 0.00 . 1 . . . . A 122 VAL HG11 . 30765 1 675 . 1 . 1 57 57 VAL HG12 H 1 1.010 0.00 . 1 . . . . A 122 VAL HG12 . 30765 1 676 . 1 . 1 57 57 VAL HG13 H 1 1.010 0.00 . 1 . . . . A 122 VAL HG13 . 30765 1 677 . 1 . 1 57 57 VAL HG21 H 1 0.964 0.00 . 1 . . . . A 122 VAL HG21 . 30765 1 678 . 1 . 1 57 57 VAL HG22 H 1 0.964 0.00 . 1 . . . . A 122 VAL HG22 . 30765 1 679 . 1 . 1 57 57 VAL HG23 H 1 0.964 0.00 . 1 . . . . A 122 VAL HG23 . 30765 1 680 . 1 . 1 57 57 VAL C C 13 179.446 0.00 . 1 . . . . A 122 VAL C . 30765 1 681 . 1 . 1 57 57 VAL CA C 13 66.585 0.00 . 1 . . . . A 122 VAL CA . 30765 1 682 . 1 . 1 57 57 VAL CB C 13 31.685 0.00 . 1 . . . . A 122 VAL CB . 30765 1 683 . 1 . 1 57 57 VAL CG1 C 13 22.314 0.00 . 1 . . . . A 122 VAL CG1 . 30765 1 684 . 1 . 1 57 57 VAL CG2 C 13 22.082 0.00 . 1 . . . . A 122 VAL CG2 . 30765 1 685 . 1 . 1 57 57 VAL N N 15 120.898 0.00 . 1 . . . . A 122 VAL N . 30765 1 686 . 1 . 1 58 58 LEU H H 1 7.865 0.00 . 1 . . . . A 123 LEU H . 30765 1 687 . 1 . 1 58 58 LEU HA H 1 3.826 0.00 . 1 . . . . A 123 LEU HA . 30765 1 688 . 1 . 1 58 58 LEU HB2 H 1 1.677 0.00 . 2 . . . . A 123 LEU HB2 . 30765 1 689 . 1 . 1 58 58 LEU HB3 H 1 1.068 0.00 . 2 . . . . A 123 LEU HB3 . 30765 1 690 . 1 . 1 58 58 LEU HG H 1 0.216 0.00 . 1 . . . . A 123 LEU HG . 30765 1 691 . 1 . 1 58 58 LEU HD11 H 1 0.700 0.00 . 1 . . . . A 123 LEU HD11 . 30765 1 692 . 1 . 1 58 58 LEU HD12 H 1 0.700 0.00 . 1 . . . . A 123 LEU HD12 . 30765 1 693 . 1 . 1 58 58 LEU HD13 H 1 0.700 0.00 . 1 . . . . A 123 LEU HD13 . 30765 1 694 . 1 . 1 58 58 LEU HD21 H 1 0.659 0.00 . 1 . . . . A 123 LEU HD21 . 30765 1 695 . 1 . 1 58 58 LEU HD22 H 1 0.659 0.00 . 1 . . . . A 123 LEU HD22 . 30765 1 696 . 1 . 1 58 58 LEU HD23 H 1 0.659 0.00 . 1 . . . . A 123 LEU HD23 . 30765 1 697 . 1 . 1 58 58 LEU C C 13 177.417 0.00 . 1 . . . . A 123 LEU C . 30765 1 698 . 1 . 1 58 58 LEU CA C 13 57.009 0.00 . 1 . . . . A 123 LEU CA . 30765 1 699 . 1 . 1 58 58 LEU CB C 13 42.040 0.05 . 1 . . . . A 123 LEU CB . 30765 1 700 . 1 . 1 58 58 LEU CG C 13 26.415 0.00 . 1 . . . . A 123 LEU CG . 30765 1 701 . 1 . 1 58 58 LEU CD1 C 13 23.739 0.00 . 1 . . . . A 123 LEU CD1 . 30765 1 702 . 1 . 1 58 58 LEU CD2 C 13 22.600 0.00 . 1 . . . . A 123 LEU CD2 . 30765 1 703 . 1 . 1 58 58 LEU N N 15 118.433 0.00 . 1 . . . . A 123 LEU N . 30765 1 704 . 1 . 1 59 59 LEU H H 1 7.137 0.00 . 1 . . . . A 124 LEU H . 30765 1 705 . 1 . 1 59 59 LEU HA H 1 4.220 0.00 . 1 . . . . A 124 LEU HA . 30765 1 706 . 1 . 1 59 59 LEU HB2 H 1 1.769 0.00 . 2 . . . . A 124 LEU HB2 . 30765 1 707 . 1 . 1 59 59 LEU HB3 H 1 1.611 0.00 . 2 . . . . A 124 LEU HB3 . 30765 1 708 . 1 . 1 59 59 LEU HG H 1 1.715 0.00 . 1 . . . . A 124 LEU HG . 30765 1 709 . 1 . 1 59 59 LEU HD11 H 1 0.880 0.00 . 1 . . . . A 124 LEU HD11 . 30765 1 710 . 1 . 1 59 59 LEU HD12 H 1 0.880 0.00 . 1 . . . . A 124 LEU HD12 . 30765 1 711 . 1 . 1 59 59 LEU HD13 H 1 0.880 0.00 . 1 . . . . A 124 LEU HD13 . 30765 1 712 . 1 . 1 59 59 LEU HD21 H 1 0.827 0.00 . 1 . . . . A 124 LEU HD21 . 30765 1 713 . 1 . 1 59 59 LEU HD22 H 1 0.827 0.00 . 1 . . . . A 124 LEU HD22 . 30765 1 714 . 1 . 1 59 59 LEU HD23 H 1 0.827 0.00 . 1 . . . . A 124 LEU HD23 . 30765 1 715 . 1 . 1 59 59 LEU C C 13 178.243 0.00 . 1 . . . . A 124 LEU C . 30765 1 716 . 1 . 1 59 59 LEU CA C 13 55.095 0.00 . 1 . . . . A 124 LEU CA . 30765 1 717 . 1 . 1 59 59 LEU CB C 13 42.974 0.03 . 1 . . . . A 124 LEU CB . 30765 1 718 . 1 . 1 59 59 LEU CG C 13 26.490 0.00 . 1 . . . . A 124 LEU CG . 30765 1 719 . 1 . 1 59 59 LEU CD1 C 13 25.352 0.00 . 1 . . . . A 124 LEU CD1 . 30765 1 720 . 1 . 1 59 59 LEU CD2 C 13 22.721 0.00 . 1 . . . . A 124 LEU CD2 . 30765 1 721 . 1 . 1 59 59 LEU N N 15 116.471 0.00 . 1 . . . . A 124 LEU N . 30765 1 722 . 1 . 1 60 60 GLU H H 1 7.554 0.00 . 1 . . . . A 125 GLU H . 30765 1 723 . 1 . 1 60 60 GLU HA H 1 4.176 0.00 . 1 . . . . A 125 GLU HA . 30765 1 724 . 1 . 1 60 60 GLU HB2 H 1 2.143 0.00 . 1 . . . . A 125 GLU HB2 . 30765 1 725 . 1 . 1 60 60 GLU HB3 H 1 2.143 0.00 . 1 . . . . A 125 GLU HB3 . 30765 1 726 . 1 . 1 60 60 GLU HG2 H 1 2.490 0.00 . 2 . . . . A 125 GLU HG2 . 30765 1 727 . 1 . 1 60 60 GLU HG3 H 1 2.375 0.00 . 2 . . . . A 125 GLU HG3 . 30765 1 728 . 1 . 1 60 60 GLU CA C 13 58.936 0.00 . 1 . . . . A 125 GLU CA . 30765 1 729 . 1 . 1 60 60 GLU CB C 13 29.402 0.00 . 1 . . . . A 125 GLU CB . 30765 1 730 . 1 . 1 60 60 GLU CG C 13 36.399 0.12 . 1 . . . . A 125 GLU CG . 30765 1 731 . 1 . 1 60 60 GLU N N 15 121.839 0.00 . 1 . . . . A 125 GLU N . 30765 1 732 . 1 . 1 61 61 PRO HA H 1 4.319 0.00 . 1 . . . . A 126 PRO HA . 30765 1 733 . 1 . 1 61 61 PRO HB2 H 1 2.396 0.00 . 2 . . . . A 126 PRO HB2 . 30765 1 734 . 1 . 1 61 61 PRO HB3 H 1 1.969 0.00 . 2 . . . . A 126 PRO HB3 . 30765 1 735 . 1 . 1 61 61 PRO HG2 H 1 2.166 0.00 . 2 . . . . A 126 PRO HG2 . 30765 1 736 . 1 . 1 61 61 PRO HG3 H 1 2.118 0.00 . 2 . . . . A 126 PRO HG3 . 30765 1 737 . 1 . 1 61 61 PRO HD2 H 1 4.001 0.00 . 2 . . . . A 126 PRO HD2 . 30765 1 738 . 1 . 1 61 61 PRO HD3 H 1 3.834 0.00 . 2 . . . . A 126 PRO HD3 . 30765 1 739 . 1 . 1 61 61 PRO C C 13 179.044 0.00 . 1 . . . . A 126 PRO C . 30765 1 740 . 1 . 1 61 61 PRO CA C 13 64.959 0.00 . 1 . . . . A 126 PRO CA . 30765 1 741 . 1 . 1 61 61 PRO CB C 13 31.709 0.00 . 1 . . . . A 126 PRO CB . 30765 1 742 . 1 . 1 61 61 PRO CG C 13 27.654 0.03 . 1 . . . . A 126 PRO CG . 30765 1 743 . 1 . 1 61 61 PRO CD C 13 50.681 0.01 . 1 . . . . A 126 PRO CD . 30765 1 744 . 1 . 1 62 62 GLY H H 1 8.704 0.01 . 1 . . . . A 127 GLY H . 30765 1 745 . 1 . 1 62 62 GLY HA2 H 1 3.993 0.00 . 2 . . . . A 127 GLY HA2 . 30765 1 746 . 1 . 1 62 62 GLY HA3 H 1 3.949 0.00 . 2 . . . . A 127 GLY HA3 . 30765 1 747 . 1 . 1 62 62 GLY C C 13 175.797 0.00 . 1 . . . . A 127 GLY C . 30765 1 748 . 1 . 1 62 62 GLY CA C 13 45.833 0.01 . 1 . . . . A 127 GLY CA . 30765 1 749 . 1 . 1 62 62 GLY N N 15 105.955 0.00 . 1 . . . . A 127 GLY N . 30765 1 750 . 1 . 1 63 63 SER H H 1 7.970 0.00 . 1 . . . . A 128 SER H . 30765 1 751 . 1 . 1 63 63 SER HA H 1 4.403 0.00 . 1 . . . . A 128 SER HA . 30765 1 752 . 1 . 1 63 63 SER HB2 H 1 4.120 0.00 . 2 . . . . A 128 SER HB2 . 30765 1 753 . 1 . 1 63 63 SER HB3 H 1 4.070 0.00 . 2 . . . . A 128 SER HB3 . 30765 1 754 . 1 . 1 63 63 SER C C 13 176.119 0.00 . 1 . . . . A 128 SER C . 30765 1 755 . 1 . 1 63 63 SER CA C 13 58.711 0.00 . 1 . . . . A 128 SER CA . 30765 1 756 . 1 . 1 63 63 SER CB C 13 63.640 0.01 . 1 . . . . A 128 SER CB . 30765 1 757 . 1 . 1 63 63 SER N N 15 116.167 0.00 . 1 . . . . A 128 SER N . 30765 1 758 . 1 . 1 64 64 LYS H H 1 7.618 0.00 . 1 . . . . A 129 LYS H . 30765 1 759 . 1 . 1 64 64 LYS HA H 1 3.962 0.00 . 1 . . . . A 129 LYS HA . 30765 1 760 . 1 . 1 64 64 LYS HB2 H 1 1.892 0.00 . 2 . . . . A 129 LYS HB2 . 30765 1 761 . 1 . 1 64 64 LYS HB3 H 1 1.812 0.03 . 2 . . . . A 129 LYS HB3 . 30765 1 762 . 1 . 1 64 64 LYS HG2 H 1 1.454 0.00 . 2 . . . . A 129 LYS HG2 . 30765 1 763 . 1 . 1 64 64 LYS HG3 H 1 1.408 0.00 . 2 . . . . A 129 LYS HG3 . 30765 1 764 . 1 . 1 64 64 LYS HD2 H 1 1.697 0.00 . 1 . . . . A 129 LYS HD2 . 30765 1 765 . 1 . 1 64 64 LYS HD3 H 1 1.697 0.00 . 1 . . . . A 129 LYS HD3 . 30765 1 766 . 1 . 1 64 64 LYS HE2 H 1 2.998 0.00 . 2 . . . . A 129 LYS HE2 . 30765 1 767 . 1 . 1 64 64 LYS HE3 H 1 2.931 0.00 . 2 . . . . A 129 LYS HE3 . 30765 1 768 . 1 . 1 64 64 LYS C C 13 176.534 0.00 . 1 . . . . A 129 LYS C . 30765 1 769 . 1 . 1 64 64 LYS CA C 13 59.306 0.00 . 1 . . . . A 129 LYS CA . 30765 1 770 . 1 . 1 64 64 LYS CB C 13 32.623 0.05 . 1 . . . . A 129 LYS CB . 30765 1 771 . 1 . 1 64 64 LYS CG C 13 24.304 0.07 . 1 . . . . A 129 LYS CG . 30765 1 772 . 1 . 1 64 64 LYS CD C 13 29.123 0.00 . 1 . . . . A 129 LYS CD . 30765 1 773 . 1 . 1 64 64 LYS CE C 13 42.081 0.01 . 1 . . . . A 129 LYS CE . 30765 1 774 . 1 . 1 64 64 LYS N N 15 122.285 0.00 . 1 . . . . A 129 LYS N . 30765 1 775 . 1 . 1 65 65 ASN H H 1 8.320 0.00 . 1 . . . . A 130 ASN H . 30765 1 776 . 1 . 1 65 65 ASN HA H 1 4.889 0.01 . 1 . . . . A 130 ASN HA . 30765 1 777 . 1 . 1 65 65 ASN HB2 H 1 3.037 0.00 . 2 . . . . A 130 ASN HB2 . 30765 1 778 . 1 . 1 65 65 ASN HB3 H 1 2.686 0.00 . 2 . . . . A 130 ASN HB3 . 30765 1 779 . 1 . 1 65 65 ASN C C 13 175.030 0.00 . 1 . . . . A 130 ASN C . 30765 1 780 . 1 . 1 65 65 ASN CA C 13 53.126 0.00 . 1 . . . . A 130 ASN CA . 30765 1 781 . 1 . 1 65 65 ASN CB C 13 38.838 0.01 . 1 . . . . A 130 ASN CB . 30765 1 782 . 1 . 1 65 65 ASN N N 15 114.729 0.00 . 1 . . . . A 130 ASN N . 30765 1 783 . 1 . 1 66 66 LEU H H 1 7.466 0.00 . 1 . . . . A 131 LEU H . 30765 1 784 . 1 . 1 66 66 LEU HA H 1 4.653 0.00 . 1 . . . . A 131 LEU HA . 30765 1 785 . 1 . 1 66 66 LEU HB2 H 1 1.940 0.00 . 1 . . . . A 131 LEU HB2 . 30765 1 786 . 1 . 1 66 66 LEU HB3 H 1 1.528 0.00 . 1 . . . . A 131 LEU HB3 . 30765 1 787 . 1 . 1 66 66 LEU HG H 1 1.752 0.00 . 1 . . . . A 131 LEU HG . 30765 1 788 . 1 . 1 66 66 LEU HD11 H 1 0.800 0.00 . 1 . . . . A 131 LEU HD11 . 30765 1 789 . 1 . 1 66 66 LEU HD12 H 1 0.800 0.00 . 1 . . . . A 131 LEU HD12 . 30765 1 790 . 1 . 1 66 66 LEU HD13 H 1 0.800 0.00 . 1 . . . . A 131 LEU HD13 . 30765 1 791 . 1 . 1 66 66 LEU HD21 H 1 0.800 0.00 . 1 . . . . A 131 LEU HD21 . 30765 1 792 . 1 . 1 66 66 LEU HD22 H 1 0.800 0.00 . 1 . . . . A 131 LEU HD22 . 30765 1 793 . 1 . 1 66 66 LEU HD23 H 1 0.800 0.00 . 1 . . . . A 131 LEU HD23 . 30765 1 794 . 1 . 1 66 66 LEU C C 13 178.185 0.00 . 1 . . . . A 131 LEU C . 30765 1 795 . 1 . 1 66 66 LEU CA C 13 54.286 0.00 . 1 . . . . A 131 LEU CA . 30765 1 796 . 1 . 1 66 66 LEU CB C 13 43.314 0.04 . 1 . . . . A 131 LEU CB . 30765 1 797 . 1 . 1 66 66 LEU CG C 13 26.868 0.00 . 1 . . . . A 131 LEU CG . 30765 1 798 . 1 . 1 66 66 LEU CD1 C 13 25.156 0.00 . 1 . . . . A 131 LEU CD1 . 30765 1 799 . 1 . 1 66 66 LEU CD2 C 13 21.988 0.00 . 1 . . . . A 131 LEU CD2 . 30765 1 800 . 1 . 1 66 66 LEU N N 15 119.693 0.00 . 1 . . . . A 131 LEU N . 30765 1 801 . 1 . 1 67 67 SER H H 1 9.244 0.00 . 1 . . . . A 132 SER H . 30765 1 802 . 1 . 1 67 67 SER HA H 1 4.775 0.01 . 1 . . . . A 132 SER HA . 30765 1 803 . 1 . 1 67 67 SER HB2 H 1 4.131 0.00 . 1 . . . . A 132 SER HB2 . 30765 1 804 . 1 . 1 67 67 SER HB3 H 1 4.131 0.00 . 1 . . . . A 132 SER HB3 . 30765 1 805 . 1 . 1 67 67 SER C C 13 176.628 0.00 . 1 . . . . A 132 SER C . 30765 1 806 . 1 . 1 67 67 SER CA C 13 57.489 0.00 . 1 . . . . A 132 SER CA . 30765 1 807 . 1 . 1 67 67 SER CB C 13 65.742 0.00 . 1 . . . . A 132 SER CB . 30765 1 808 . 1 . 1 67 67 SER N N 15 120.243 0.00 . 1 . . . . A 132 SER N . 30765 1 809 . 1 . 1 68 68 ILE H H 1 9.560 0.00 . 1 . . . . A 133 ILE H . 30765 1 810 . 1 . 1 68 68 ILE HA H 1 3.545 0.01 . 1 . . . . A 133 ILE HA . 30765 1 811 . 1 . 1 68 68 ILE HB H 1 0.319 0.00 . 1 . . . . A 133 ILE HB . 30765 1 812 . 1 . 1 68 68 ILE HG12 H 1 1.235 0.00 . 2 . . . . A 133 ILE HG12 . 30765 1 813 . 1 . 1 68 68 ILE HG13 H 1 1.084 0.00 . 2 . . . . A 133 ILE HG13 . 30765 1 814 . 1 . 1 68 68 ILE HG21 H 1 0.976 0.00 . 1 . . . . A 133 ILE HG21 . 30765 1 815 . 1 . 1 68 68 ILE HG22 H 1 0.976 0.00 . 1 . . . . A 133 ILE HG22 . 30765 1 816 . 1 . 1 68 68 ILE HG23 H 1 0.976 0.00 . 1 . . . . A 133 ILE HG23 . 30765 1 817 . 1 . 1 68 68 ILE HD11 H 1 0.746 0.00 . 1 . . . . A 133 ILE HD11 . 30765 1 818 . 1 . 1 68 68 ILE HD12 H 1 0.746 0.00 . 1 . . . . A 133 ILE HD12 . 30765 1 819 . 1 . 1 68 68 ILE HD13 H 1 0.746 0.00 . 1 . . . . A 133 ILE HD13 . 30765 1 820 . 1 . 1 68 68 ILE C C 13 175.774 0.00 . 1 . . . . A 133 ILE C . 30765 1 821 . 1 . 1 68 68 ILE CA C 13 66.428 0.00 . 1 . . . . A 133 ILE CA . 30765 1 822 . 1 . 1 68 68 ILE CB C 13 35.886 0.00 . 1 . . . . A 133 ILE CB . 30765 1 823 . 1 . 1 68 68 ILE CG1 C 13 27.377 0.01 . 1 . . . . A 133 ILE CG1 . 30765 1 824 . 1 . 1 68 68 ILE CG2 C 13 17.886 0.00 . 1 . . . . A 133 ILE CG2 . 30765 1 825 . 1 . 1 68 68 ILE CD1 C 13 14.677 0.00 . 1 . . . . A 133 ILE CD1 . 30765 1 826 . 1 . 1 68 68 ILE N N 15 125.654 0.00 . 1 . . . . A 133 ILE N . 30765 1 827 . 1 . 1 69 69 TYR H H 1 7.401 0.00 . 1 . . . . A 134 TYR H . 30765 1 828 . 1 . 1 69 69 TYR HA H 1 3.633 0.00 . 1 . . . . A 134 TYR HA . 30765 1 829 . 1 . 1 69 69 TYR HB2 H 1 2.886 0.00 . 2 . . . . A 134 TYR HB2 . 30765 1 830 . 1 . 1 69 69 TYR HB3 H 1 2.803 0.00 . 2 . . . . A 134 TYR HB3 . 30765 1 831 . 1 . 1 69 69 TYR HD1 H 1 7.799 0.00 . 1 . . . . A 134 TYR HD1 . 30765 1 832 . 1 . 1 69 69 TYR HD2 H 1 7.799 0.00 . 1 . . . . A 134 TYR HD2 . 30765 1 833 . 1 . 1 69 69 TYR HE1 H 1 6.846 0.00 . 1 . . . . A 134 TYR HE1 . 30765 1 834 . 1 . 1 69 69 TYR HE2 H 1 6.846 0.00 . 1 . . . . A 134 TYR HE2 . 30765 1 835 . 1 . 1 69 69 TYR C C 13 176.107 0.00 . 1 . . . . A 134 TYR C . 30765 1 836 . 1 . 1 69 69 TYR CA C 13 62.516 0.00 . 1 . . . . A 134 TYR CA . 30765 1 837 . 1 . 1 69 69 TYR CB C 13 39.204 0.02 . 1 . . . . A 134 TYR CB . 30765 1 838 . 1 . 1 69 69 TYR CD1 C 13 138.662 0.00 . 1 . . . . A 134 TYR CD1 . 30765 1 839 . 1 . 1 69 69 TYR CD2 C 13 138.662 0.00 . 1 . . . . A 134 TYR CD2 . 30765 1 840 . 1 . 1 69 69 TYR CE1 C 13 118.896 0.00 . 1 . . . . A 134 TYR CE1 . 30765 1 841 . 1 . 1 69 69 TYR CE2 C 13 118.896 0.00 . 1 . . . . A 134 TYR CE2 . 30765 1 842 . 1 . 1 69 69 TYR N N 15 122.592 0.00 . 1 . . . . A 134 TYR N . 30765 1 843 . 1 . 1 70 70 GLN H H 1 7.795 0.00 . 1 . . . . A 135 GLN H . 30765 1 844 . 1 . 1 70 70 GLN HA H 1 3.857 0.00 . 1 . . . . A 135 GLN HA . 30765 1 845 . 1 . 1 70 70 GLN HB2 H 1 2.384 0.02 . 1 . . . . A 135 GLN HB2 . 30765 1 846 . 1 . 1 70 70 GLN HB3 H 1 2.146 0.00 . 1 . . . . A 135 GLN HB3 . 30765 1 847 . 1 . 1 70 70 GLN HG2 H 1 2.661 0.00 . 2 . . . . A 135 GLN HG2 . 30765 1 848 . 1 . 1 70 70 GLN HG3 H 1 2.621 0.00 . 2 . . . . A 135 GLN HG3 . 30765 1 849 . 1 . 1 70 70 GLN HE21 H 1 7.677 0.00 . 2 . . . . A 135 GLN HE21 . 30765 1 850 . 1 . 1 70 70 GLN HE22 H 1 7.022 0.00 . 2 . . . . A 135 GLN HE22 . 30765 1 851 . 1 . 1 70 70 GLN C C 13 179.322 0.00 . 1 . . . . A 135 GLN C . 30765 1 852 . 1 . 1 70 70 GLN CA C 13 58.660 0.00 . 1 . . . . A 135 GLN CA . 30765 1 853 . 1 . 1 70 70 GLN CB C 13 29.978 0.00 . 1 . . . . A 135 GLN CB . 30765 1 854 . 1 . 1 70 70 GLN CG C 13 35.035 0.04 . 1 . . . . A 135 GLN CG . 30765 1 855 . 1 . 1 70 70 GLN N N 15 115.245 0.00 . 1 . . . . A 135 GLN N . 30765 1 856 . 1 . 1 70 70 GLN NE2 N 15 112.832 0.01 . 1 . . . . A 135 GLN NE2 . 30765 1 857 . 1 . 1 71 71 THR H H 1 8.391 0.00 . 1 . . . . A 136 THR H . 30765 1 858 . 1 . 1 71 71 THR HA H 1 3.885 0.00 . 1 . . . . A 136 THR HA . 30765 1 859 . 1 . 1 71 71 THR HB H 1 4.215 0.00 . 1 . . . . A 136 THR HB . 30765 1 860 . 1 . 1 71 71 THR HG21 H 1 1.203 0.00 . 1 . . . . A 136 THR HG21 . 30765 1 861 . 1 . 1 71 71 THR HG22 H 1 1.203 0.00 . 1 . . . . A 136 THR HG22 . 30765 1 862 . 1 . 1 71 71 THR HG23 H 1 1.203 0.00 . 1 . . . . A 136 THR HG23 . 30765 1 863 . 1 . 1 71 71 THR C C 13 175.983 0.00 . 1 . . . . A 136 THR C . 30765 1 864 . 1 . 1 71 71 THR CA C 13 67.020 0.00 . 1 . . . . A 136 THR CA . 30765 1 865 . 1 . 1 71 71 THR CB C 13 68.618 0.00 . 1 . . . . A 136 THR CB . 30765 1 866 . 1 . 1 71 71 THR CG2 C 13 21.915 0.00 . 1 . . . . A 136 THR CG2 . 30765 1 867 . 1 . 1 71 71 THR N N 15 116.062 0.00 . 1 . . . . A 136 THR N . 30765 1 868 . 1 . 1 72 72 LEU H H 1 8.092 0.00 . 1 . . . . A 137 LEU H . 30765 1 869 . 1 . 1 72 72 LEU HA H 1 3.369 0.00 . 1 . . . . A 137 LEU HA . 30765 1 870 . 1 . 1 72 72 LEU HB2 H 1 0.560 0.00 . 1 . . . . A 137 LEU HB2 . 30765 1 871 . 1 . 1 72 72 LEU HB3 H 1 0.560 0.00 . 1 . . . . A 137 LEU HB3 . 30765 1 872 . 1 . 1 72 72 LEU HG H 1 -0.053 0.00 . 1 . . . . A 137 LEU HG . 30765 1 873 . 1 . 1 72 72 LEU HD11 H 1 -0.547 0.00 . 1 . . . . A 137 LEU HD11 . 30765 1 874 . 1 . 1 72 72 LEU HD12 H 1 -0.547 0.00 . 1 . . . . A 137 LEU HD12 . 30765 1 875 . 1 . 1 72 72 LEU HD13 H 1 -0.547 0.00 . 1 . . . . A 137 LEU HD13 . 30765 1 876 . 1 . 1 72 72 LEU HD21 H 1 -0.547 0.00 . 1 . . . . A 137 LEU HD21 . 30765 1 877 . 1 . 1 72 72 LEU HD22 H 1 -0.547 0.00 . 1 . . . . A 137 LEU HD22 . 30765 1 878 . 1 . 1 72 72 LEU HD23 H 1 -0.547 0.00 . 1 . . . . A 137 LEU HD23 . 30765 1 879 . 1 . 1 72 72 LEU C C 13 177.814 0.00 . 1 . . . . A 137 LEU C . 30765 1 880 . 1 . 1 72 72 LEU CA C 13 58.166 0.00 . 1 . . . . A 137 LEU CA . 30765 1 881 . 1 . 1 72 72 LEU CB C 13 38.880 0.00 . 1 . . . . A 137 LEU CB . 30765 1 882 . 1 . 1 72 72 LEU CG C 13 25.681 0.00 . 1 . . . . A 137 LEU CG . 30765 1 883 . 1 . 1 72 72 LEU CD1 C 13 23.036 0.00 . 1 . . . . A 137 LEU CD1 . 30765 1 884 . 1 . 1 72 72 LEU CD2 C 13 23.036 0.00 . 1 . . . . A 137 LEU CD2 . 30765 1 885 . 1 . 1 72 72 LEU N N 15 124.739 0.00 . 1 . . . . A 137 LEU N . 30765 1 886 . 1 . 1 73 73 LEU H H 1 7.831 0.00 . 1 . . . . A 138 LEU H . 30765 1 887 . 1 . 1 73 73 LEU HA H 1 3.819 0.00 . 1 . . . . A 138 LEU HA . 30765 1 888 . 1 . 1 73 73 LEU HB2 H 1 1.655 0.00 . 2 . . . . A 138 LEU HB2 . 30765 1 889 . 1 . 1 73 73 LEU HB3 H 1 1.322 0.00 . 2 . . . . A 138 LEU HB3 . 30765 1 890 . 1 . 1 73 73 LEU HG H 1 1.647 0.00 . 1 . . . . A 138 LEU HG . 30765 1 891 . 1 . 1 73 73 LEU HD11 H 1 1.014 0.00 . 1 . . . . A 138 LEU HD11 . 30765 1 892 . 1 . 1 73 73 LEU HD12 H 1 1.014 0.00 . 1 . . . . A 138 LEU HD12 . 30765 1 893 . 1 . 1 73 73 LEU HD13 H 1 1.014 0.00 . 1 . . . . A 138 LEU HD13 . 30765 1 894 . 1 . 1 73 73 LEU HD21 H 1 0.967 0.00 . 1 . . . . A 138 LEU HD21 . 30765 1 895 . 1 . 1 73 73 LEU HD22 H 1 0.967 0.00 . 1 . . . . A 138 LEU HD22 . 30765 1 896 . 1 . 1 73 73 LEU HD23 H 1 0.967 0.00 . 1 . . . . A 138 LEU HD23 . 30765 1 897 . 1 . 1 73 73 LEU C C 13 178.509 0.00 . 1 . . . . A 138 LEU C . 30765 1 898 . 1 . 1 73 73 LEU CA C 13 57.964 0.00 . 1 . . . . A 138 LEU CA . 30765 1 899 . 1 . 1 73 73 LEU CB C 13 41.924 0.01 . 1 . . . . A 138 LEU CB . 30765 1 900 . 1 . 1 73 73 LEU CG C 13 26.559 0.00 . 1 . . . . A 138 LEU CG . 30765 1 901 . 1 . 1 73 73 LEU CD1 C 13 24.273 0.00 . 1 . . . . A 138 LEU CD1 . 30765 1 902 . 1 . 1 73 73 LEU CD2 C 13 24.106 0.00 . 1 . . . . A 138 LEU CD2 . 30765 1 903 . 1 . 1 73 73 LEU N N 15 118.448 0.00 . 1 . . . . A 138 LEU N . 30765 1 904 . 1 . 1 74 74 ALA H H 1 7.832 0.00 . 1 . . . . A 139 ALA H . 30765 1 905 . 1 . 1 74 74 ALA HA H 1 4.147 0.00 . 1 . . . . A 139 ALA HA . 30765 1 906 . 1 . 1 74 74 ALA HB1 H 1 1.508 0.00 . 1 . . . . A 139 ALA HB1 . 30765 1 907 . 1 . 1 74 74 ALA HB2 H 1 1.508 0.00 . 1 . . . . A 139 ALA HB2 . 30765 1 908 . 1 . 1 74 74 ALA HB3 H 1 1.508 0.00 . 1 . . . . A 139 ALA HB3 . 30765 1 909 . 1 . 1 74 74 ALA C C 13 180.475 0.00 . 1 . . . . A 139 ALA C . 30765 1 910 . 1 . 1 74 74 ALA CA C 13 54.923 0.00 . 1 . . . . A 139 ALA CA . 30765 1 911 . 1 . 1 74 74 ALA CB C 13 17.628 0.00 . 1 . . . . A 139 ALA CB . 30765 1 912 . 1 . 1 74 74 ALA N N 15 120.683 0.00 . 1 . . . . A 139 ALA N . 30765 1 913 . 1 . 1 75 75 ALA H H 1 7.966 0.00 . 1 . . . . A 140 ALA H . 30765 1 914 . 1 . 1 75 75 ALA HA H 1 3.880 0.00 . 1 . . . . A 140 ALA HA . 30765 1 915 . 1 . 1 75 75 ALA HB1 H 1 1.539 0.00 . 1 . . . . A 140 ALA HB1 . 30765 1 916 . 1 . 1 75 75 ALA HB2 H 1 1.539 0.00 . 1 . . . . A 140 ALA HB2 . 30765 1 917 . 1 . 1 75 75 ALA HB3 H 1 1.539 0.00 . 1 . . . . A 140 ALA HB3 . 30765 1 918 . 1 . 1 75 75 ALA C C 13 177.506 0.00 . 1 . . . . A 140 ALA C . 30765 1 919 . 1 . 1 75 75 ALA CA C 13 55.425 0.00 . 1 . . . . A 140 ALA CA . 30765 1 920 . 1 . 1 75 75 ALA CB C 13 17.451 0.00 . 1 . . . . A 140 ALA CB . 30765 1 921 . 1 . 1 75 75 ALA N N 15 120.745 0.00 . 1 . . . . A 140 ALA N . 30765 1 922 . 1 . 1 76 76 HIS H H 1 8.471 0.00 . 1 . . . . A 141 HIS H . 30765 1 923 . 1 . 1 76 76 HIS HA H 1 4.165 0.00 . 1 . . . . A 141 HIS HA . 30765 1 924 . 1 . 1 76 76 HIS HB2 H 1 3.455 0.00 . 2 . . . . A 141 HIS HB2 . 30765 1 925 . 1 . 1 76 76 HIS HB3 H 1 2.990 0.00 . 2 . . . . A 141 HIS HB3 . 30765 1 926 . 1 . 1 76 76 HIS HD2 H 1 7.097 0.00 . 1 . . . . A 141 HIS HD2 . 30765 1 927 . 1 . 1 76 76 HIS HE1 H 1 8.055 0.00 . 1 . . . . A 141 HIS HE1 . 30765 1 928 . 1 . 1 76 76 HIS C C 13 177.742 0.00 . 1 . . . . A 141 HIS C . 30765 1 929 . 1 . 1 76 76 HIS CA C 13 60.041 0.00 . 1 . . . . A 141 HIS CA . 30765 1 930 . 1 . 1 76 76 HIS CB C 13 31.277 0.02 . 1 . . . . A 141 HIS CB . 30765 1 931 . 1 . 1 76 76 HIS CD2 C 13 120.145 0.00 . 1 . . . . A 141 HIS CD2 . 30765 1 932 . 1 . 1 76 76 HIS CE1 C 13 137.929 0.00 . 1 . . . . A 141 HIS CE1 . 30765 1 933 . 1 . 1 76 76 HIS N N 15 118.930 0.00 . 1 . . . . A 141 HIS N . 30765 1 934 . 1 . 1 77 77 GLU H H 1 8.751 0.00 . 1 . . . . A 142 GLU H . 30765 1 935 . 1 . 1 77 77 GLU HA H 1 3.768 0.00 . 1 . . . . A 142 GLU HA . 30765 1 936 . 1 . 1 77 77 GLU HB2 H 1 2.131 0.00 . 2 . . . . A 142 GLU HB2 . 30765 1 937 . 1 . 1 77 77 GLU HB3 H 1 2.013 0.00 . 2 . . . . A 142 GLU HB3 . 30765 1 938 . 1 . 1 77 77 GLU HG2 H 1 2.595 0.00 . 1 . . . . A 142 GLU HG2 . 30765 1 939 . 1 . 1 77 77 GLU HG3 H 1 2.595 0.00 . 1 . . . . A 142 GLU HG3 . 30765 1 940 . 1 . 1 77 77 GLU C C 13 180.317 0.00 . 1 . . . . A 142 GLU C . 30765 1 941 . 1 . 1 77 77 GLU CA C 13 59.495 0.00 . 1 . . . . A 142 GLU CA . 30765 1 942 . 1 . 1 77 77 GLU CB C 13 29.252 0.06 . 1 . . . . A 142 GLU CB . 30765 1 943 . 1 . 1 77 77 GLU CG C 13 36.837 0.00 . 1 . . . . A 142 GLU CG . 30765 1 944 . 1 . 1 77 77 GLU N N 15 118.666 0.00 . 1 . . . . A 142 GLU N . 30765 1 945 . 1 . 1 78 78 ARG H H 1 7.834 0.00 . 1 . . . . A 143 ARG H . 30765 1 946 . 1 . 1 78 78 ARG HA H 1 4.371 0.40 . 1 . . . . A 143 ARG HA . 30765 1 947 . 1 . 1 78 78 ARG HB2 H 1 2.043 0.00 . 1 . . . . A 143 ARG HB2 . 30765 1 948 . 1 . 1 78 78 ARG HB3 H 1 1.930 0.00 . 1 . . . . A 143 ARG HB3 . 30765 1 949 . 1 . 1 78 78 ARG HG2 H 1 1.702 0.00 . 1 . . . . A 143 ARG HG2 . 30765 1 950 . 1 . 1 78 78 ARG HG3 H 1 1.702 0.00 . 1 . . . . A 143 ARG HG3 . 30765 1 951 . 1 . 1 78 78 ARG HD2 H 1 3.153 0.00 . 2 . . . . A 143 ARG HD2 . 30765 1 952 . 1 . 1 78 78 ARG HD3 H 1 3.085 0.00 . 2 . . . . A 143 ARG HD3 . 30765 1 953 . 1 . 1 78 78 ARG C C 13 179.139 0.00 . 1 . . . . A 143 ARG C . 30765 1 954 . 1 . 1 78 78 ARG CA C 13 59.202 0.00 . 1 . . . . A 143 ARG CA . 30765 1 955 . 1 . 1 78 78 ARG CB C 13 30.547 0.01 . 1 . . . . A 143 ARG CB . 30765 1 956 . 1 . 1 78 78 ARG CG C 13 27.996 0.00 . 1 . . . . A 143 ARG CG . 30765 1 957 . 1 . 1 78 78 ARG CD C 13 43.883 0.09 . 1 . . . . A 143 ARG CD . 30765 1 958 . 1 . 1 78 78 ARG N N 15 119.292 0.00 . 1 . . . . A 143 ARG N . 30765 1 959 . 1 . 1 79 79 LEU H H 1 7.799 0.00 . 1 . . . . A 144 LEU H . 30765 1 960 . 1 . 1 79 79 LEU HA H 1 4.166 0.00 . 1 . . . . A 144 LEU HA . 30765 1 961 . 1 . 1 79 79 LEU HB2 H 1 1.897 0.00 . 2 . . . . A 144 LEU HB2 . 30765 1 962 . 1 . 1 79 79 LEU HB3 H 1 1.711 0.00 . 2 . . . . A 144 LEU HB3 . 30765 1 963 . 1 . 1 79 79 LEU HG H 1 1.861 0.00 . 1 . . . . A 144 LEU HG . 30765 1 964 . 1 . 1 79 79 LEU HD11 H 1 1.067 0.00 . 1 . . . . A 144 LEU HD11 . 30765 1 965 . 1 . 1 79 79 LEU HD12 H 1 1.067 0.00 . 1 . . . . A 144 LEU HD12 . 30765 1 966 . 1 . 1 79 79 LEU HD13 H 1 1.067 0.00 . 1 . . . . A 144 LEU HD13 . 30765 1 967 . 1 . 1 79 79 LEU HD21 H 1 1.008 0.00 . 1 . . . . A 144 LEU HD21 . 30765 1 968 . 1 . 1 79 79 LEU HD22 H 1 1.008 0.00 . 1 . . . . A 144 LEU HD22 . 30765 1 969 . 1 . 1 79 79 LEU HD23 H 1 1.008 0.00 . 1 . . . . A 144 LEU HD23 . 30765 1 970 . 1 . 1 79 79 LEU C C 13 178.867 0.00 . 1 . . . . A 144 LEU C . 30765 1 971 . 1 . 1 79 79 LEU CA C 13 56.759 0.00 . 1 . . . . A 144 LEU CA . 30765 1 972 . 1 . 1 79 79 LEU CB C 13 41.980 0.01 . 1 . . . . A 144 LEU CB . 30765 1 973 . 1 . 1 79 79 LEU CG C 13 26.959 0.00 . 1 . . . . A 144 LEU CG . 30765 1 974 . 1 . 1 79 79 LEU CD1 C 13 25.540 0.00 . 1 . . . . A 144 LEU CD1 . 30765 1 975 . 1 . 1 79 79 LEU CD2 C 13 24.545 0.00 . 1 . . . . A 144 LEU CD2 . 30765 1 976 . 1 . 1 79 79 LEU N N 15 119.339 0.00 . 1 . . . . A 144 LEU N . 30765 1 977 . 1 . 1 80 80 GLN H H 1 7.704 0.00 . 1 . . . . A 145 GLN H . 30765 1 978 . 1 . 1 80 80 GLN HA H 1 4.096 0.00 . 1 . . . . A 145 GLN HA . 30765 1 979 . 1 . 1 80 80 GLN HB2 H 1 2.127 0.00 . 2 . . . . A 145 GLN HB2 . 30765 1 980 . 1 . 1 80 80 GLN HB3 H 1 1.894 0.00 . 2 . . . . A 145 GLN HB3 . 30765 1 981 . 1 . 1 80 80 GLN HG2 H 1 2.195 0.00 . 1 . . . . A 145 GLN HG2 . 30765 1 982 . 1 . 1 80 80 GLN HG3 H 1 2.106 0.00 . 1 . . . . A 145 GLN HG3 . 30765 1 983 . 1 . 1 80 80 GLN HE21 H 1 7.032 0.00 . 1 . . . . A 145 GLN HE21 . 30765 1 984 . 1 . 1 80 80 GLN HE22 H 1 6.988 0.00 . 1 . . . . A 145 GLN HE22 . 30765 1 985 . 1 . 1 80 80 GLN C C 13 175.831 0.00 . 1 . . . . A 145 GLN C . 30765 1 986 . 1 . 1 80 80 GLN CA C 13 55.934 0.00 . 1 . . . . A 145 GLN CA . 30765 1 987 . 1 . 1 80 80 GLN CB C 13 28.342 0.01 . 1 . . . . A 145 GLN CB . 30765 1 988 . 1 . 1 80 80 GLN CG C 13 33.284 0.04 . 1 . . . . A 145 GLN CG . 30765 1 989 . 1 . 1 80 80 GLN N N 15 116.005 0.00 . 1 . . . . A 145 GLN N . 30765 1 990 . 1 . 1 80 80 GLN NE2 N 15 114.359 0.01 . 1 . . . . A 145 GLN NE2 . 30765 1 991 . 1 . 1 81 81 ALA H H 1 7.445 0.00 . 1 . . . . A 146 ALA H . 30765 1 992 . 1 . 1 81 81 ALA HA H 1 4.358 0.00 . 1 . . . . A 146 ALA HA . 30765 1 993 . 1 . 1 81 81 ALA HB1 H 1 1.412 0.00 . 1 . . . . A 146 ALA HB1 . 30765 1 994 . 1 . 1 81 81 ALA HB2 H 1 1.412 0.00 . 1 . . . . A 146 ALA HB2 . 30765 1 995 . 1 . 1 81 81 ALA HB3 H 1 1.412 0.00 . 1 . . . . A 146 ALA HB3 . 30765 1 996 . 1 . 1 81 81 ALA C C 13 176.671 0.00 . 1 . . . . A 146 ALA C . 30765 1 997 . 1 . 1 81 81 ALA CA C 13 52.187 0.00 . 1 . . . . A 146 ALA CA . 30765 1 998 . 1 . 1 81 81 ALA CB C 13 19.094 0.00 . 1 . . . . A 146 ALA CB . 30765 1 999 . 1 . 1 81 81 ALA N N 15 122.150 0.00 . 1 . . . . A 146 ALA N . 30765 1 1000 . 1 . 1 82 82 LEU H H 1 7.450 0.00 . 1 . . . . A 147 LEU H . 30765 1 1001 . 1 . 1 82 82 LEU HA H 1 4.114 0.00 . 1 . . . . A 147 LEU HA . 30765 1 1002 . 1 . 1 82 82 LEU HB2 H 1 1.679 0.00 . 2 . . . . A 147 LEU HB2 . 30765 1 1003 . 1 . 1 82 82 LEU HB3 H 1 1.562 0.00 . 2 . . . . A 147 LEU HB3 . 30765 1 1004 . 1 . 1 82 82 LEU HG H 1 0.869 0.00 . 1 . . . . A 147 LEU HG . 30765 1 1005 . 1 . 1 82 82 LEU HD11 H 1 0.700 0.00 . 1 . . . . A 147 LEU HD11 . 30765 1 1006 . 1 . 1 82 82 LEU HD12 H 1 0.700 0.00 . 1 . . . . A 147 LEU HD12 . 30765 1 1007 . 1 . 1 82 82 LEU HD13 H 1 0.700 0.00 . 1 . . . . A 147 LEU HD13 . 30765 1 1008 . 1 . 1 82 82 LEU HD21 H 1 0.700 0.00 . 1 . . . . A 147 LEU HD21 . 30765 1 1009 . 1 . 1 82 82 LEU HD22 H 1 0.700 0.00 . 1 . . . . A 147 LEU HD22 . 30765 1 1010 . 1 . 1 82 82 LEU HD23 H 1 0.700 0.00 . 1 . . . . A 147 LEU HD23 . 30765 1 1011 . 1 . 1 82 82 LEU CA C 13 56.975 0.00 . 1 . . . . A 147 LEU CA . 30765 1 1012 . 1 . 1 82 82 LEU CB C 13 43.147 0.01 . 1 . . . . A 147 LEU CB . 30765 1 1013 . 1 . 1 82 82 LEU CG C 13 23.208 0.00 . 1 . . . . A 147 LEU CG . 30765 1 1014 . 1 . 1 82 82 LEU CD1 C 13 23.739 0.00 . 1 . . . . A 147 LEU CD1 . 30765 1 1015 . 1 . 1 82 82 LEU CD2 C 13 23.739 0.00 . 1 . . . . A 147 LEU CD2 . 30765 1 1016 . 1 . 1 82 82 LEU N N 15 126.441 0.00 . 1 . . . . A 147 LEU N . 30765 1 1017 . 2 . 2 3 3 HIS HB2 H 1 3.124 0.00 . 1 . . . . B 518 HIS HB2 . 30765 1 1018 . 2 . 2 3 3 HIS HB3 H 1 3.124 0.00 . 1 . . . . B 518 HIS HB3 . 30765 1 1019 . 2 . 2 3 3 HIS HD2 H 1 7.134 0.00 . 1 . . . . B 518 HIS HD2 . 30765 1 1020 . 2 . 2 3 3 HIS HE1 H 1 8.159 0.00 . 1 . . . . B 518 HIS HE1 . 30765 1 1021 . 2 . 2 3 3 HIS C C 13 174.780 0.00 . 1 . . . . B 518 HIS C . 30765 1 1022 . 2 . 2 3 3 HIS CB C 13 23.232 0.00 . 1 . . . . B 518 HIS CB . 30765 1 1023 . 2 . 2 3 3 HIS CD2 C 13 119.941 0.00 . 1 . . . . B 518 HIS CD2 . 30765 1 1024 . 2 . 2 3 3 HIS CE1 C 13 137.632 0.00 . 1 . . . . B 518 HIS CE1 . 30765 1 1025 . 2 . 2 4 4 MET H H 1 8.288 0.00 . 1 . . . . B 519 MET H . 30765 1 1026 . 2 . 2 4 4 MET HA H 1 4.415 0.00 . 1 . . . . B 519 MET HA . 30765 1 1027 . 2 . 2 4 4 MET HB2 H 1 2.044 0.00 . 2 . . . . B 519 MET HB2 . 30765 1 1028 . 2 . 2 4 4 MET HB3 H 1 1.914 0.00 . 2 . . . . B 519 MET HB3 . 30765 1 1029 . 2 . 2 4 4 MET HG2 H 1 2.503 0.00 . 2 . . . . B 519 MET HG2 . 30765 1 1030 . 2 . 2 4 4 MET HG3 H 1 2.428 0.00 . 2 . . . . B 519 MET HG3 . 30765 1 1031 . 2 . 2 4 4 MET C C 13 175.423 0.00 . 1 . . . . B 519 MET C . 30765 1 1032 . 2 . 2 4 4 MET CA C 13 56.329 0.00 . 1 . . . . B 519 MET CA . 30765 1 1033 . 2 . 2 4 4 MET CB C 13 33.090 0.00 . 1 . . . . B 519 MET CB . 30765 1 1034 . 2 . 2 4 4 MET CG C 13 31.792 0.00 . 1 . . . . B 519 MET CG . 30765 1 1035 . 2 . 2 4 4 MET N N 15 121.790 0.00 . 1 . . . . B 519 MET N . 30765 1 1036 . 2 . 2 5 5 ASP H H 1 8.311 0.00 . 1 . . . . B 520 ASP H . 30765 1 1037 . 2 . 2 5 5 ASP HA H 1 4.445 0.00 . 1 . . . . B 520 ASP HA . 30765 1 1038 . 2 . 2 5 5 ASP HB2 H 1 2.775 0.00 . 2 . . . . B 520 ASP HB2 . 30765 1 1039 . 2 . 2 5 5 ASP HB3 H 1 2.736 0.00 . 2 . . . . B 520 ASP HB3 . 30765 1 1040 . 2 . 2 5 5 ASP CA C 13 55.068 0.00 . 1 . . . . B 520 ASP CA . 30765 1 1041 . 2 . 2 5 5 ASP CB C 13 40.671 0.11 . 1 . . . . B 520 ASP CB . 30765 1 1042 . 2 . 2 5 5 ASP N N 15 123.635 0.00 . 1 . . . . B 520 ASP N . 30765 1 1043 . 2 . 2 6 6 PRO HA H 1 4.411 0.00 . 1 . . . . B 521 PRO HA . 30765 1 1044 . 2 . 2 6 6 PRO HB2 H 1 2.299 0.00 . 1 . . . . B 521 PRO HB2 . 30765 1 1045 . 2 . 2 6 6 PRO HB3 H 1 1.929 0.00 . 1 . . . . B 521 PRO HB3 . 30765 1 1046 . 2 . 2 6 6 PRO HG2 H 1 1.833 0.00 . 1 . . . . B 521 PRO HG2 . 30765 1 1047 . 2 . 2 6 6 PRO HG3 H 1 1.639 0.00 . 1 . . . . B 521 PRO HG3 . 30765 1 1048 . 2 . 2 6 6 PRO HD2 H 1 3.863 0.00 . 1 . . . . B 521 PRO HD2 . 30765 1 1049 . 2 . 2 6 6 PRO HD3 H 1 3.790 0.00 . 1 . . . . B 521 PRO HD3 . 30765 1 1050 . 2 . 2 6 6 PRO C C 13 176.983 0.00 . 1 . . . . B 521 PRO C . 30765 1 1051 . 2 . 2 6 6 PRO CA C 13 63.370 0.00 . 1 . . . . B 521 PRO CA . 30765 1 1052 . 2 . 2 6 6 PRO CB C 13 32.233 0.01 . 1 . . . . B 521 PRO CB . 30765 1 1053 . 2 . 2 6 6 PRO CG C 13 27.060 0.00 . 1 . . . . B 521 PRO CG . 30765 1 1054 . 2 . 2 6 6 PRO CD C 13 50.743 0.01 . 1 . . . . B 521 PRO CD . 30765 1 1055 . 2 . 2 7 7 LEU H H 1 8.386 0.00 . 1 . . . . B 522 LEU H . 30765 1 1056 . 2 . 2 7 7 LEU HA H 1 4.349 0.00 . 1 . . . . B 522 LEU HA . 30765 1 1057 . 2 . 2 7 7 LEU HB2 H 1 1.723 0.00 . 1 . . . . B 522 LEU HB2 . 30765 1 1058 . 2 . 2 7 7 LEU HB3 H 1 1.559 0.00 . 1 . . . . B 522 LEU HB3 . 30765 1 1059 . 2 . 2 7 7 LEU HG H 1 2.025 0.00 . 1 . . . . B 522 LEU HG . 30765 1 1060 . 2 . 2 7 7 LEU HD11 H 1 0.925 0.00 . 1 . . . . B 522 LEU HD11 . 30765 1 1061 . 2 . 2 7 7 LEU HD12 H 1 0.925 0.00 . 1 . . . . B 522 LEU HD12 . 30765 1 1062 . 2 . 2 7 7 LEU HD13 H 1 0.925 0.00 . 1 . . . . B 522 LEU HD13 . 30765 1 1063 . 2 . 2 7 7 LEU HD21 H 1 0.849 0.00 . 1 . . . . B 522 LEU HD21 . 30765 1 1064 . 2 . 2 7 7 LEU HD22 H 1 0.849 0.00 . 1 . . . . B 522 LEU HD22 . 30765 1 1065 . 2 . 2 7 7 LEU HD23 H 1 0.849 0.00 . 1 . . . . B 522 LEU HD23 . 30765 1 1066 . 2 . 2 7 7 LEU C C 13 177.518 0.00 . 1 . . . . B 522 LEU C . 30765 1 1067 . 2 . 2 7 7 LEU CA C 13 55.162 0.00 . 1 . . . . B 522 LEU CA . 30765 1 1068 . 2 . 2 7 7 LEU CB C 13 41.957 0.08 . 1 . . . . B 522 LEU CB . 30765 1 1069 . 2 . 2 7 7 LEU CG C 13 27.299 0.00 . 1 . . . . B 522 LEU CG . 30765 1 1070 . 2 . 2 7 7 LEU CD1 C 13 24.985 0.00 . 1 . . . . B 522 LEU CD1 . 30765 1 1071 . 2 . 2 7 7 LEU CD2 C 13 23.370 0.00 . 1 . . . . B 522 LEU CD2 . 30765 1 1072 . 2 . 2 7 7 LEU N N 15 121.079 0.00 . 1 . . . . B 522 LEU N . 30765 1 1073 . 2 . 2 8 8 THR H H 1 7.978 0.00 . 1 . . . . B 523 THR H . 30765 1 1074 . 2 . 2 8 8 THR HA H 1 4.602 0.00 . 1 . . . . B 523 THR HA . 30765 1 1075 . 2 . 2 8 8 THR HB H 1 4.188 0.00 . 1 . . . . B 523 THR HB . 30765 1 1076 . 2 . 2 8 8 THR HG21 H 1 1.238 0.00 . 1 . . . . B 523 THR HG21 . 30765 1 1077 . 2 . 2 8 8 THR HG22 H 1 1.238 0.00 . 1 . . . . B 523 THR HG22 . 30765 1 1078 . 2 . 2 8 8 THR HG23 H 1 1.238 0.00 . 1 . . . . B 523 THR HG23 . 30765 1 1079 . 2 . 2 8 8 THR CA C 13 59.571 0.00 . 1 . . . . B 523 THR CA . 30765 1 1080 . 2 . 2 8 8 THR CB C 13 69.735 0.00 . 1 . . . . B 523 THR CB . 30765 1 1081 . 2 . 2 8 8 THR CG2 C 13 21.503 0.00 . 1 . . . . B 523 THR CG2 . 30765 1 1082 . 2 . 2 8 8 THR N N 15 116.419 0.00 . 1 . . . . B 523 THR N . 30765 1 1083 . 2 . 2 9 9 PRO HA H 1 4.374 0.00 . 1 . . . . B 524 PRO HA . 30765 1 1084 . 2 . 2 9 9 PRO HB2 H 1 2.293 0.00 . 2 . . . . B 524 PRO HB2 . 30765 1 1085 . 2 . 2 9 9 PRO HB3 H 1 1.932 0.00 . 2 . . . . B 524 PRO HB3 . 30765 1 1086 . 2 . 2 9 9 PRO HG2 H 1 1.777 0.00 . 2 . . . . B 524 PRO HG2 . 30765 1 1087 . 2 . 2 9 9 PRO HG3 H 1 1.723 0.00 . 2 . . . . B 524 PRO HG3 . 30765 1 1088 . 2 . 2 9 9 PRO HD2 H 1 3.802 0.00 . 1 . . . . B 524 PRO HD2 . 30765 1 1089 . 2 . 2 9 9 PRO HD3 H 1 3.717 0.00 . 1 . . . . B 524 PRO HD3 . 30765 1 1090 . 2 . 2 9 9 PRO C C 13 176.728 0.00 . 1 . . . . B 524 PRO C . 30765 1 1091 . 2 . 2 9 9 PRO CA C 13 63.481 0.00 . 1 . . . . B 524 PRO CA . 30765 1 1092 . 2 . 2 9 9 PRO CB C 13 32.160 0.01 . 1 . . . . B 524 PRO CB . 30765 1 1093 . 2 . 2 9 9 PRO CG C 13 27.148 0.00 . 1 . . . . B 524 PRO CG . 30765 1 1094 . 2 . 2 9 9 PRO CD C 13 50.972 0.00 . 1 . . . . B 524 PRO CD . 30765 1 1095 . 2 . 2 10 10 ASP H H 1 8.412 0.00 . 1 . . . . B 525 ASP H . 30765 1 1096 . 2 . 2 10 10 ASP HA H 1 4.546 0.00 . 1 . . . . B 525 ASP HA . 30765 1 1097 . 2 . 2 10 10 ASP HB2 H 1 2.713 0.00 . 2 . . . . B 525 ASP HB2 . 30765 1 1098 . 2 . 2 10 10 ASP HB3 H 1 2.644 0.00 . 2 . . . . B 525 ASP HB3 . 30765 1 1099 . 2 . 2 10 10 ASP C C 13 176.378 0.00 . 1 . . . . B 525 ASP C . 30765 1 1100 . 2 . 2 10 10 ASP CA C 13 54.351 0.00 . 1 . . . . B 525 ASP CA . 30765 1 1101 . 2 . 2 10 10 ASP CB C 13 41.468 0.01 . 1 . . . . B 525 ASP CB . 30765 1 1102 . 2 . 2 10 10 ASP N N 15 120.228 0.00 . 1 . . . . B 525 ASP N . 30765 1 1103 . 2 . 2 11 11 ALA H H 1 8.311 0.00 . 1 . . . . B 526 ALA H . 30765 1 1104 . 2 . 2 11 11 ALA HA H 1 4.338 0.00 . 1 . . . . B 526 ALA HA . 30765 1 1105 . 2 . 2 11 11 ALA HB1 H 1 1.431 0.00 . 1 . . . . B 526 ALA HB1 . 30765 1 1106 . 2 . 2 11 11 ALA HB2 H 1 1.431 0.00 . 1 . . . . B 526 ALA HB2 . 30765 1 1107 . 2 . 2 11 11 ALA HB3 H 1 1.431 0.00 . 1 . . . . B 526 ALA HB3 . 30765 1 1108 . 2 . 2 11 11 ALA C C 13 178.157 0.00 . 1 . . . . B 526 ALA C . 30765 1 1109 . 2 . 2 11 11 ALA CA C 13 52.666 0.00 . 1 . . . . B 526 ALA CA . 30765 1 1110 . 2 . 2 11 11 ALA CB C 13 19.132 0.00 . 1 . . . . B 526 ALA CB . 30765 1 1111 . 2 . 2 11 11 ALA N N 15 125.302 0.00 . 1 . . . . B 526 ALA N . 30765 1 1112 . 2 . 2 12 12 SER H H 1 8.370 0.00 . 1 . . . . B 527 SER H . 30765 1 1113 . 2 . 2 12 12 SER HA H 1 4.365 0.00 . 1 . . . . B 527 SER HA . 30765 1 1114 . 2 . 2 12 12 SER HB2 H 1 3.922 0.00 . 2 . . . . B 527 SER HB2 . 30765 1 1115 . 2 . 2 12 12 SER HB3 H 1 3.874 0.00 . 2 . . . . B 527 SER HB3 . 30765 1 1116 . 2 . 2 12 12 SER C C 13 175.002 0.00 . 1 . . . . B 527 SER C . 30765 1 1117 . 2 . 2 12 12 SER CA C 13 59.094 0.00 . 1 . . . . B 527 SER CA . 30765 1 1118 . 2 . 2 12 12 SER CB C 13 63.763 0.02 . 1 . . . . B 527 SER CB . 30765 1 1119 . 2 . 2 12 12 SER N N 15 115.026 0.00 . 1 . . . . B 527 SER N . 30765 1 1120 . 2 . 2 13 13 GLU H H 1 8.327 0.00 . 1 . . . . B 528 GLU H . 30765 1 1121 . 2 . 2 13 13 GLU HA H 1 4.314 0.00 . 1 . . . . B 528 GLU HA . 30765 1 1122 . 2 . 2 13 13 GLU HB2 H 1 2.114 0.00 . 2 . . . . B 528 GLU HB2 . 30765 1 1123 . 2 . 2 13 13 GLU HB3 H 1 1.992 0.00 . 2 . . . . B 528 GLU HB3 . 30765 1 1124 . 2 . 2 13 13 GLU HG2 H 1 2.310 0.00 . 2 . . . . B 528 GLU HG2 . 30765 1 1125 . 2 . 2 13 13 GLU HG3 H 1 2.263 0.00 . 2 . . . . B 528 GLU HG3 . 30765 1 1126 . 2 . 2 13 13 GLU C C 13 176.822 0.00 . 1 . . . . B 528 GLU C . 30765 1 1127 . 2 . 2 13 13 GLU CA C 13 57.026 0.00 . 1 . . . . B 528 GLU CA . 30765 1 1128 . 2 . 2 13 13 GLU CB C 13 30.042 0.05 . 1 . . . . B 528 GLU CB . 30765 1 1129 . 2 . 2 13 13 GLU CG C 13 36.236 0.02 . 1 . . . . B 528 GLU CG . 30765 1 1130 . 2 . 2 13 13 GLU N N 15 122.331 0.00 . 1 . . . . B 528 GLU N . 30765 1 1131 . 2 . 2 14 14 SER H H 1 8.235 0.00 . 1 . . . . B 529 SER H . 30765 1 1132 . 2 . 2 14 14 SER HA H 1 4.444 0.00 . 1 . . . . B 529 SER HA . 30765 1 1133 . 2 . 2 14 14 SER HB2 H 1 3.922 0.00 . 2 . . . . B 529 SER HB2 . 30765 1 1134 . 2 . 2 14 14 SER HB3 H 1 3.874 0.00 . 2 . . . . B 529 SER HB3 . 30765 1 1135 . 2 . 2 14 14 SER C C 13 175.195 0.00 . 1 . . . . B 529 SER C . 30765 1 1136 . 2 . 2 14 14 SER CA C 13 58.795 0.00 . 1 . . . . B 529 SER CA . 30765 1 1137 . 2 . 2 14 14 SER CB C 13 63.763 0.02 . 1 . . . . B 529 SER CB . 30765 1 1138 . 2 . 2 14 14 SER N N 15 116.192 0.00 . 1 . . . . B 529 SER N . 30765 1 1139 . 2 . 2 15 15 VAL H H 1 8.068 0.00 . 1 . . . . B 530 VAL H . 30765 1 1140 . 2 . 2 15 15 VAL HA H 1 4.048 0.00 . 1 . . . . B 530 VAL HA . 30765 1 1141 . 2 . 2 15 15 VAL HB H 1 2.121 0.00 . 1 . . . . B 530 VAL HB . 30765 1 1142 . 2 . 2 15 15 VAL HG11 H 1 0.936 0.00 . 1 . . . . B 530 VAL HG11 . 30765 1 1143 . 2 . 2 15 15 VAL HG12 H 1 0.936 0.00 . 1 . . . . B 530 VAL HG12 . 30765 1 1144 . 2 . 2 15 15 VAL HG13 H 1 0.936 0.00 . 1 . . . . B 530 VAL HG13 . 30765 1 1145 . 2 . 2 15 15 VAL HG21 H 1 0.936 0.00 . 1 . . . . B 530 VAL HG21 . 30765 1 1146 . 2 . 2 15 15 VAL HG22 H 1 0.936 0.00 . 1 . . . . B 530 VAL HG22 . 30765 1 1147 . 2 . 2 15 15 VAL HG23 H 1 0.936 0.00 . 1 . . . . B 530 VAL HG23 . 30765 1 1148 . 2 . 2 15 15 VAL C C 13 176.226 0.00 . 1 . . . . B 530 VAL C . 30765 1 1149 . 2 . 2 15 15 VAL CA C 13 63.144 0.00 . 1 . . . . B 530 VAL CA . 30765 1 1150 . 2 . 2 15 15 VAL CB C 13 32.291 0.00 . 1 . . . . B 530 VAL CB . 30765 1 1151 . 2 . 2 15 15 VAL CG1 C 13 21.015 0.00 . 1 . . . . B 530 VAL CG1 . 30765 1 1152 . 2 . 2 15 15 VAL CG2 C 13 21.015 0.00 . 1 . . . . B 530 VAL CG2 . 30765 1 1153 . 2 . 2 15 15 VAL N N 15 121.367 0.00 . 1 . . . . B 530 VAL N . 30765 1 1154 . 2 . 2 16 16 ASN H H 1 8.342 0.00 . 1 . . . . B 531 ASN H . 30765 1 1155 . 2 . 2 16 16 ASN HA H 1 4.655 0.00 . 1 . . . . B 531 ASN HA . 30765 1 1156 . 2 . 2 16 16 ASN HB2 H 1 2.820 0.00 . 2 . . . . B 531 ASN HB2 . 30765 1 1157 . 2 . 2 16 16 ASN HB3 H 1 2.761 0.00 . 2 . . . . B 531 ASN HB3 . 30765 1 1158 . 2 . 2 16 16 ASN HD21 H 1 7.611 0.00 . 2 . . . . B 531 ASN HD21 . 30765 1 1159 . 2 . 2 16 16 ASN HD22 H 1 6.912 0.00 . 2 . . . . B 531 ASN HD22 . 30765 1 1160 . 2 . 2 16 16 ASN C C 13 175.449 0.00 . 1 . . . . B 531 ASN C . 30765 1 1161 . 2 . 2 16 16 ASN CA C 13 53.858 0.00 . 1 . . . . B 531 ASN CA . 30765 1 1162 . 2 . 2 16 16 ASN CB C 13 38.718 0.01 . 1 . . . . B 531 ASN CB . 30765 1 1163 . 2 . 2 16 16 ASN N N 15 120.582 0.00 . 1 . . . . B 531 ASN N . 30765 1 1164 . 2 . 2 16 16 ASN ND2 N 15 112.731 0.01 . 1 . . . . B 531 ASN ND2 . 30765 1 1165 . 2 . 2 17 17 ASN H H 1 8.255 0.00 . 1 . . . . B 532 ASN H . 30765 1 1166 . 2 . 2 17 17 ASN HA H 1 4.655 0.00 . 1 . . . . B 532 ASN HA . 30765 1 1167 . 2 . 2 17 17 ASN HB2 H 1 2.820 0.00 . 2 . . . . B 532 ASN HB2 . 30765 1 1168 . 2 . 2 17 17 ASN HB3 H 1 2.761 0.00 . 2 . . . . B 532 ASN HB3 . 30765 1 1169 . 2 . 2 17 17 ASN HD21 H 1 7.639 0.00 . 1 . . . . B 532 ASN HD21 . 30765 1 1170 . 2 . 2 17 17 ASN HD22 H 1 6.928 0.00 . 1 . . . . B 532 ASN HD22 . 30765 1 1171 . 2 . 2 17 17 ASN C C 13 175.846 0.00 . 1 . . . . B 532 ASN C . 30765 1 1172 . 2 . 2 17 17 ASN CA C 13 53.858 0.00 . 1 . . . . B 532 ASN CA . 30765 1 1173 . 2 . 2 17 17 ASN CB C 13 38.718 0.01 . 1 . . . . B 532 ASN CB . 30765 1 1174 . 2 . 2 17 17 ASN N N 15 119.200 0.00 . 1 . . . . B 532 ASN N . 30765 1 1175 . 2 . 2 17 17 ASN ND2 N 15 112.596 0.00 . 1 . . . . B 532 ASN ND2 . 30765 1 1176 . 2 . 2 18 18 ILE H H 1 8.015 0.00 . 1 . . . . B 533 ILE H . 30765 1 1177 . 2 . 2 18 18 ILE HA H 1 4.047 0.00 . 1 . . . . B 533 ILE HA . 30765 1 1178 . 2 . 2 18 18 ILE HB H 1 1.911 0.00 . 1 . . . . B 533 ILE HB . 30765 1 1179 . 2 . 2 18 18 ILE HG12 H 1 1.495 0.00 . 2 . . . . B 533 ILE HG12 . 30765 1 1180 . 2 . 2 18 18 ILE HG13 H 1 1.200 0.00 . 2 . . . . B 533 ILE HG13 . 30765 1 1181 . 2 . 2 18 18 ILE HG21 H 1 0.894 0.00 . 1 . . . . B 533 ILE HG21 . 30765 1 1182 . 2 . 2 18 18 ILE HG22 H 1 0.894 0.00 . 1 . . . . B 533 ILE HG22 . 30765 1 1183 . 2 . 2 18 18 ILE HG23 H 1 0.894 0.00 . 1 . . . . B 533 ILE HG23 . 30765 1 1184 . 2 . 2 18 18 ILE HD11 H 1 0.856 0.00 . 1 . . . . B 533 ILE HD11 . 30765 1 1185 . 2 . 2 18 18 ILE HD12 H 1 0.856 0.00 . 1 . . . . B 533 ILE HD12 . 30765 1 1186 . 2 . 2 18 18 ILE HD13 H 1 0.856 0.00 . 1 . . . . B 533 ILE HD13 . 30765 1 1187 . 2 . 2 18 18 ILE C C 13 176.907 0.00 . 1 . . . . B 533 ILE C . 30765 1 1188 . 2 . 2 18 18 ILE CA C 13 62.415 0.00 . 1 . . . . B 533 ILE CA . 30765 1 1189 . 2 . 2 18 18 ILE CB C 13 38.404 0.00 . 1 . . . . B 533 ILE CB . 30765 1 1190 . 2 . 2 18 18 ILE CG1 C 13 27.725 0.01 . 1 . . . . B 533 ILE CG1 . 30765 1 1191 . 2 . 2 18 18 ILE CG2 C 13 17.573 0.00 . 1 . . . . B 533 ILE CG2 . 30765 1 1192 . 2 . 2 18 18 ILE CD1 C 13 12.990 0.00 . 1 . . . . B 533 ILE CD1 . 30765 1 1193 . 2 . 2 18 18 ILE N N 15 120.947 0.00 . 1 . . . . B 533 ILE N . 30765 1 1194 . 2 . 2 19 19 LEU H H 1 8.132 0.00 . 1 . . . . B 534 LEU H . 30765 1 1195 . 2 . 2 19 19 LEU HA H 1 4.271 0.00 . 1 . . . . B 534 LEU HA . 30765 1 1196 . 2 . 2 19 19 LEU HB2 H 1 1.708 0.00 . 2 . . . . B 534 LEU HB2 . 30765 1 1197 . 2 . 2 19 19 LEU HB3 H 1 1.565 0.00 . 2 . . . . B 534 LEU HB3 . 30765 1 1198 . 2 . 2 19 19 LEU HG H 1 1.637 0.00 . 1 . . . . B 534 LEU HG . 30765 1 1199 . 2 . 2 19 19 LEU HD11 H 1 0.925 0.00 . 1 . . . . B 534 LEU HD11 . 30765 1 1200 . 2 . 2 19 19 LEU HD12 H 1 0.925 0.00 . 1 . . . . B 534 LEU HD12 . 30765 1 1201 . 2 . 2 19 19 LEU HD13 H 1 0.925 0.00 . 1 . . . . B 534 LEU HD13 . 30765 1 1202 . 2 . 2 19 19 LEU HD21 H 1 0.849 0.00 . 1 . . . . B 534 LEU HD21 . 30765 1 1203 . 2 . 2 19 19 LEU HD22 H 1 0.849 0.00 . 1 . . . . B 534 LEU HD22 . 30765 1 1204 . 2 . 2 19 19 LEU HD23 H 1 0.849 0.00 . 1 . . . . B 534 LEU HD23 . 30765 1 1205 . 2 . 2 19 19 LEU C C 13 177.828 0.00 . 1 . . . . B 534 LEU C . 30765 1 1206 . 2 . 2 19 19 LEU CA C 13 55.814 0.00 . 1 . . . . B 534 LEU CA . 30765 1 1207 . 2 . 2 19 19 LEU CB C 13 41.846 0.01 . 1 . . . . B 534 LEU CB . 30765 1 1208 . 2 . 2 19 19 LEU CG C 13 27.024 0.00 . 1 . . . . B 534 LEU CG . 30765 1 1209 . 2 . 2 19 19 LEU CD1 C 13 24.985 0.00 . 1 . . . . B 534 LEU CD1 . 30765 1 1210 . 2 . 2 19 19 LEU CD2 C 13 23.370 0.00 . 1 . . . . B 534 LEU CD2 . 30765 1 1211 . 2 . 2 19 19 LEU N N 15 123.603 0.00 . 1 . . . . B 534 LEU N . 30765 1 1212 . 2 . 2 20 20 LYS H H 1 8.070 0.00 . 1 . . . . B 535 LYS H . 30765 1 1213 . 2 . 2 20 20 LYS HA H 1 4.252 0.00 . 1 . . . . B 535 LYS HA . 30765 1 1214 . 2 . 2 20 20 LYS HB2 H 1 1.849 0.00 . 2 . . . . B 535 LYS HB2 . 30765 1 1215 . 2 . 2 20 20 LYS HB3 H 1 1.796 0.01 . 2 . . . . B 535 LYS HB3 . 30765 1 1216 . 2 . 2 20 20 LYS HG2 H 1 1.444 0.00 . 2 . . . . B 535 LYS HG2 . 30765 1 1217 . 2 . 2 20 20 LYS HG3 H 1 1.373 0.00 . 2 . . . . B 535 LYS HG3 . 30765 1 1218 . 2 . 2 20 20 LYS HD2 H 1 1.722 0.00 . 2 . . . . B 535 LYS HD2 . 30765 1 1219 . 2 . 2 20 20 LYS HD3 H 1 1.662 0.00 . 2 . . . . B 535 LYS HD3 . 30765 1 1220 . 2 . 2 20 20 LYS HE2 H 1 2.958 0.00 . 1 . . . . B 535 LYS HE2 . 30765 1 1221 . 2 . 2 20 20 LYS HE3 H 1 2.958 0.00 . 1 . . . . B 535 LYS HE3 . 30765 1 1222 . 2 . 2 20 20 LYS C C 13 176.982 0.00 . 1 . . . . B 535 LYS C . 30765 1 1223 . 2 . 2 20 20 LYS CA C 13 56.711 0.00 . 1 . . . . B 535 LYS CA . 30765 1 1224 . 2 . 2 20 20 LYS CB C 13 32.784 0.03 . 1 . . . . B 535 LYS CB . 30765 1 1225 . 2 . 2 20 20 LYS CG C 13 24.902 0.03 . 1 . . . . B 535 LYS CG . 30765 1 1226 . 2 . 2 20 20 LYS CD C 13 28.977 0.00 . 1 . . . . B 535 LYS CD . 30765 1 1227 . 2 . 2 20 20 LYS CE C 13 42.190 0.00 . 1 . . . . B 535 LYS CE . 30765 1 1228 . 2 . 2 20 20 LYS N N 15 120.867 0.00 . 1 . . . . B 535 LYS N . 30765 1 1229 . 2 . 2 21 21 GLN H H 1 8.221 0.00 . 1 . . . . B 536 GLN H . 30765 1 1230 . 2 . 2 21 21 GLN HA H 1 4.339 0.00 . 1 . . . . B 536 GLN HA . 30765 1 1231 . 2 . 2 21 21 GLN HB2 H 1 2.137 0.00 . 2 . . . . B 536 GLN HB2 . 30765 1 1232 . 2 . 2 21 21 GLN HB3 H 1 2.033 0.00 . 2 . . . . B 536 GLN HB3 . 30765 1 1233 . 2 . 2 21 21 GLN HG2 H 1 2.373 0.00 . 2 . . . . B 536 GLN HG2 . 30765 1 1234 . 2 . 2 21 21 GLN HG3 H 1 2.330 0.00 . 2 . . . . B 536 GLN HG3 . 30765 1 1235 . 2 . 2 21 21 GLN HE21 H 1 7.480 0.00 . 2 . . . . B 536 GLN HE21 . 30765 1 1236 . 2 . 2 21 21 GLN HE22 H 1 6.853 0.00 . 2 . . . . B 536 GLN HE22 . 30765 1 1237 . 2 . 2 21 21 GLN C C 13 176.272 0.00 . 1 . . . . B 536 GLN C . 30765 1 1238 . 2 . 2 21 21 GLN CA C 13 56.318 0.00 . 1 . . . . B 536 GLN CA . 30765 1 1239 . 2 . 2 21 21 GLN CB C 13 29.289 0.01 . 1 . . . . B 536 GLN CB . 30765 1 1240 . 2 . 2 21 21 GLN CG C 13 33.870 0.00 . 1 . . . . B 536 GLN CG . 30765 1 1241 . 2 . 2 21 21 GLN N N 15 120.446 0.00 . 1 . . . . B 536 GLN N . 30765 1 1242 . 2 . 2 21 21 GLN NE2 N 15 112.082 0.01 . 1 . . . . B 536 GLN NE2 . 30765 1 1243 . 2 . 2 22 22 SER H H 1 8.297 0.00 . 1 . . . . B 537 SER H . 30765 1 1244 . 2 . 2 22 22 SER HA H 1 4.415 0.00 . 1 . . . . B 537 SER HA . 30765 1 1245 . 2 . 2 22 22 SER HB2 H 1 3.921 0.00 . 2 . . . . B 537 SER HB2 . 30765 1 1246 . 2 . 2 22 22 SER HB3 H 1 3.882 0.00 . 2 . . . . B 537 SER HB3 . 30765 1 1247 . 2 . 2 22 22 SER C C 13 175.121 0.00 . 1 . . . . B 537 SER C . 30765 1 1248 . 2 . 2 22 22 SER CA C 13 58.723 0.00 . 1 . . . . B 537 SER CA . 30765 1 1249 . 2 . 2 22 22 SER CB C 13 63.823 0.01 . 1 . . . . B 537 SER CB . 30765 1 1250 . 2 . 2 22 22 SER N N 15 116.314 0.00 . 1 . . . . B 537 SER N . 30765 1 1251 . 2 . 2 23 23 GLY H H 1 8.340 0.00 . 1 . . . . B 538 GLY H . 30765 1 1252 . 2 . 2 23 23 GLY HA2 H 1 3.951 0.00 . 2 . . . . B 538 GLY HA2 . 30765 1 1253 . 2 . 2 23 23 GLY HA3 H 1 3.814 0.00 . 2 . . . . B 538 GLY HA3 . 30765 1 1254 . 2 . 2 23 23 GLY C C 13 174.076 0.00 . 1 . . . . B 538 GLY C . 30765 1 1255 . 2 . 2 23 23 GLY CA C 13 45.514 0.03 . 1 . . . . B 538 GLY CA . 30765 1 1256 . 2 . 2 23 23 GLY N N 15 110.811 0.00 . 1 . . . . B 538 GLY N . 30765 1 1257 . 2 . 2 24 24 ALA H H 1 8.107 0.00 . 1 . . . . B 539 ALA H . 30765 1 1258 . 2 . 2 24 24 ALA HA H 1 4.301 0.00 . 1 . . . . B 539 ALA HA . 30765 1 1259 . 2 . 2 24 24 ALA HB1 H 1 1.316 0.00 . 1 . . . . B 539 ALA HB1 . 30765 1 1260 . 2 . 2 24 24 ALA HB2 H 1 1.316 0.00 . 1 . . . . B 539 ALA HB2 . 30765 1 1261 . 2 . 2 24 24 ALA HB3 H 1 1.316 0.00 . 1 . . . . B 539 ALA HB3 . 30765 1 1262 . 2 . 2 24 24 ALA C C 13 177.589 0.00 . 1 . . . . B 539 ALA C . 30765 1 1263 . 2 . 2 24 24 ALA CA C 13 52.625 0.00 . 1 . . . . B 539 ALA CA . 30765 1 1264 . 2 . 2 24 24 ALA CB C 13 19.273 0.00 . 1 . . . . B 539 ALA CB . 30765 1 1265 . 2 . 2 24 24 ALA N N 15 123.558 0.00 . 1 . . . . B 539 ALA N . 30765 1 1266 . 2 . 2 25 25 TRP H H 1 8.144 0.00 . 1 . . . . B 540 TRP H . 30765 1 1267 . 2 . 2 25 25 TRP HA H 1 4.691 0.00 . 1 . . . . B 540 TRP HA . 30765 1 1268 . 2 . 2 25 25 TRP HB2 H 1 3.321 0.00 . 1 . . . . B 540 TRP HB2 . 30765 1 1269 . 2 . 2 25 25 TRP HB3 H 1 3.258 0.00 . 1 . . . . B 540 TRP HB3 . 30765 1 1270 . 2 . 2 25 25 TRP HD1 H 1 7.283 0.00 . 1 . . . . B 540 TRP HD1 . 30765 1 1271 . 2 . 2 25 25 TRP HE1 H 1 10.217 0.00 . 1 . . . . B 540 TRP HE1 . 30765 1 1272 . 2 . 2 25 25 TRP HE3 H 1 7.609 0.00 . 1 . . . . B 540 TRP HE3 . 30765 1 1273 . 2 . 2 25 25 TRP HZ2 H 1 7.384 0.00 . 1 . . . . B 540 TRP HZ2 . 30765 1 1274 . 2 . 2 25 25 TRP HZ3 H 1 7.132 0.00 . 1 . . . . B 540 TRP HZ3 . 30765 1 1275 . 2 . 2 25 25 TRP HH2 H 1 6.935 0.00 . 1 . . . . B 540 TRP HH2 . 30765 1 1276 . 2 . 2 25 25 TRP C C 13 176.141 0.00 . 1 . . . . B 540 TRP C . 30765 1 1277 . 2 . 2 25 25 TRP CA C 13 57.389 0.00 . 1 . . . . B 540 TRP CA . 30765 1 1278 . 2 . 2 25 25 TRP CB C 13 29.425 0.00 . 1 . . . . B 540 TRP CB . 30765 1 1279 . 2 . 2 25 25 TRP CD1 C 13 127.135 0.00 . 1 . . . . B 540 TRP CD1 . 30765 1 1280 . 2 . 2 25 25 TRP CE3 C 13 120.940 0.00 . 1 . . . . B 540 TRP CE3 . 30765 1 1281 . 2 . 2 25 25 TRP CZ2 C 13 114.433 0.00 . 1 . . . . B 540 TRP CZ2 . 30765 1 1282 . 2 . 2 25 25 TRP CZ3 C 13 121.873 0.00 . 1 . . . . B 540 TRP CZ3 . 30765 1 1283 . 2 . 2 25 25 TRP CH2 C 13 124.334 0.00 . 1 . . . . B 540 TRP CH2 . 30765 1 1284 . 2 . 2 25 25 TRP N N 15 119.927 0.00 . 1 . . . . B 540 TRP N . 30765 1 1285 . 2 . 2 25 25 TRP NE1 N 15 129.771 0.00 . 1 . . . . B 540 TRP NE1 . 30765 1 1286 . 2 . 2 26 26 SER H H 1 8.095 0.00 . 1 . . . . B 541 SER H . 30765 1 1287 . 2 . 2 26 26 SER HA H 1 4.384 0.00 . 1 . . . . B 541 SER HA . 30765 1 1288 . 2 . 2 26 26 SER HB2 H 1 3.876 0.00 . 2 . . . . B 541 SER HB2 . 30765 1 1289 . 2 . 2 26 26 SER HB3 H 1 3.737 0.00 . 2 . . . . B 541 SER HB3 . 30765 1 1290 . 2 . 2 26 26 SER C C 13 174.771 0.00 . 1 . . . . B 541 SER C . 30765 1 1291 . 2 . 2 26 26 SER CA C 13 58.298 0.00 . 1 . . . . B 541 SER CA . 30765 1 1292 . 2 . 2 26 26 SER CB C 13 63.901 0.04 . 1 . . . . B 541 SER CB . 30765 1 1293 . 2 . 2 26 26 SER N N 15 117.387 0.00 . 1 . . . . B 541 SER N . 30765 1 1294 . 2 . 2 27 27 GLY H H 1 7.716 0.00 . 1 . . . . B 542 GLY H . 30765 1 1295 . 2 . 2 27 27 GLY HA2 H 1 3.943 0.00 . 2 . . . . B 542 GLY HA2 . 30765 1 1296 . 2 . 2 27 27 GLY HA3 H 1 3.748 0.00 . 2 . . . . B 542 GLY HA3 . 30765 1 1297 . 2 . 2 27 27 GLY C C 13 174.102 0.00 . 1 . . . . B 542 GLY C . 30765 1 1298 . 2 . 2 27 27 GLY CA C 13 45.690 0.01 . 1 . . . . B 542 GLY CA . 30765 1 1299 . 2 . 2 27 27 GLY N N 15 110.127 0.00 . 1 . . . . B 542 GLY N . 30765 1 1300 . 2 . 2 28 28 ASP H H 1 8.244 0.00 . 1 . . . . B 543 ASP H . 30765 1 1301 . 2 . 2 28 28 ASP HA H 1 4.533 0.00 . 1 . . . . B 543 ASP HA . 30765 1 1302 . 2 . 2 28 28 ASP HB2 H 1 2.713 0.00 . 2 . . . . B 543 ASP HB2 . 30765 1 1303 . 2 . 2 28 28 ASP HB3 H 1 2.644 0.00 . 2 . . . . B 543 ASP HB3 . 30765 1 1304 . 2 . 2 28 28 ASP C C 13 176.913 0.00 . 1 . . . . B 543 ASP C . 30765 1 1305 . 2 . 2 28 28 ASP CA C 13 55.550 0.00 . 1 . . . . B 543 ASP CA . 30765 1 1306 . 2 . 2 28 28 ASP CB C 13 41.468 0.01 . 1 . . . . B 543 ASP CB . 30765 1 1307 . 2 . 2 28 28 ASP N N 15 120.553 0.00 . 1 . . . . B 543 ASP N . 30765 1 1308 . 2 . 2 29 29 ASP H H 1 8.374 0.00 . 1 . . . . B 544 ASP H . 30765 1 1309 . 2 . 2 29 29 ASP HA H 1 4.572 0.00 . 1 . . . . B 544 ASP HA . 30765 1 1310 . 2 . 2 29 29 ASP HB2 H 1 2.795 0.00 . 2 . . . . B 544 ASP HB2 . 30765 1 1311 . 2 . 2 29 29 ASP HB3 H 1 2.513 0.00 . 2 . . . . B 544 ASP HB3 . 30765 1 1312 . 2 . 2 29 29 ASP C C 13 178.124 0.00 . 1 . . . . B 544 ASP C . 30765 1 1313 . 2 . 2 29 29 ASP CA C 13 55.475 0.00 . 1 . . . . B 544 ASP CA . 30765 1 1314 . 2 . 2 29 29 ASP CB C 13 40.972 0.01 . 1 . . . . B 544 ASP CB . 30765 1 1315 . 2 . 2 29 29 ASP N N 15 120.075 0.00 . 1 . . . . B 544 ASP N . 30765 1 1316 . 2 . 2 30 30 LYS H H 1 8.335 0.00 . 1 . . . . B 545 LYS H . 30765 1 1317 . 2 . 2 30 30 LYS HA H 1 4.103 0.00 . 1 . . . . B 545 LYS HA . 30765 1 1318 . 2 . 2 30 30 LYS HB2 H 1 1.706 0.00 . 1 . . . . B 545 LYS HB2 . 30765 1 1319 . 2 . 2 30 30 LYS HB3 H 1 1.706 0.00 . 1 . . . . B 545 LYS HB3 . 30765 1 1320 . 2 . 2 30 30 LYS HG2 H 1 0.924 0.00 . 1 . . . . B 545 LYS HG2 . 30765 1 1321 . 2 . 2 30 30 LYS HG3 H 1 0.924 0.00 . 1 . . . . B 545 LYS HG3 . 30765 1 1322 . 2 . 2 30 30 LYS HD2 H 1 1.475 0.00 . 1 . . . . B 545 LYS HD2 . 30765 1 1323 . 2 . 2 30 30 LYS HD3 H 1 1.475 0.00 . 1 . . . . B 545 LYS HD3 . 30765 1 1324 . 2 . 2 30 30 LYS HE2 H 1 2.995 0.00 . 1 . . . . B 545 LYS HE2 . 30765 1 1325 . 2 . 2 30 30 LYS HE3 H 1 2.995 0.00 . 1 . . . . B 545 LYS HE3 . 30765 1 1326 . 2 . 2 30 30 LYS C C 13 177.943 0.00 . 1 . . . . B 545 LYS C . 30765 1 1327 . 2 . 2 30 30 LYS CA C 13 58.454 0.00 . 1 . . . . B 545 LYS CA . 30765 1 1328 . 2 . 2 30 30 LYS CB C 13 32.597 0.00 . 1 . . . . B 545 LYS CB . 30765 1 1329 . 2 . 2 30 30 LYS CG C 13 24.930 0.00 . 1 . . . . B 545 LYS CG . 30765 1 1330 . 2 . 2 30 30 LYS CD C 13 27.280 0.00 . 1 . . . . B 545 LYS CD . 30765 1 1331 . 2 . 2 30 30 LYS CE C 13 42.123 0.00 . 1 . . . . B 545 LYS CE . 30765 1 1332 . 2 . 2 30 30 LYS N N 15 121.450 0.00 . 1 . . . . B 545 LYS N . 30765 1 1333 . 2 . 2 31 31 LEU H H 1 8.095 0.00 . 1 . . . . B 546 LEU H . 30765 1 1334 . 2 . 2 31 31 LEU HA H 1 4.328 0.00 . 1 . . . . B 546 LEU HA . 30765 1 1335 . 2 . 2 31 31 LEU HB2 H 1 1.956 0.00 . 1 . . . . B 546 LEU HB2 . 30765 1 1336 . 2 . 2 31 31 LEU HB3 H 1 1.615 0.00 . 1 . . . . B 546 LEU HB3 . 30765 1 1337 . 2 . 2 31 31 LEU HG H 1 1.829 0.00 . 1 . . . . B 546 LEU HG . 30765 1 1338 . 2 . 2 31 31 LEU HD11 H 1 0.948 0.00 . 1 . . . . B 546 LEU HD11 . 30765 1 1339 . 2 . 2 31 31 LEU HD12 H 1 0.948 0.00 . 1 . . . . B 546 LEU HD12 . 30765 1 1340 . 2 . 2 31 31 LEU HD13 H 1 0.948 0.00 . 1 . . . . B 546 LEU HD13 . 30765 1 1341 . 2 . 2 31 31 LEU HD21 H 1 0.887 0.00 . 1 . . . . B 546 LEU HD21 . 30765 1 1342 . 2 . 2 31 31 LEU HD22 H 1 0.887 0.00 . 1 . . . . B 546 LEU HD22 . 30765 1 1343 . 2 . 2 31 31 LEU HD23 H 1 0.887 0.00 . 1 . . . . B 546 LEU HD23 . 30765 1 1344 . 2 . 2 31 31 LEU C C 13 178.500 0.00 . 1 . . . . B 546 LEU C . 30765 1 1345 . 2 . 2 31 31 LEU CA C 13 56.574 0.00 . 1 . . . . B 546 LEU CA . 30765 1 1346 . 2 . 2 31 31 LEU CB C 13 42.422 0.00 . 1 . . . . B 546 LEU CB . 30765 1 1347 . 2 . 2 31 31 LEU CG C 13 26.046 0.00 . 1 . . . . B 546 LEU CG . 30765 1 1348 . 2 . 2 31 31 LEU CD1 C 13 24.255 0.00 . 1 . . . . B 546 LEU CD1 . 30765 1 1349 . 2 . 2 31 31 LEU CD2 C 13 24.284 0.00 . 1 . . . . B 546 LEU CD2 . 30765 1 1350 . 2 . 2 31 31 LEU N N 15 116.696 0.00 . 1 . . . . B 546 LEU N . 30765 1 1351 . 2 . 2 32 32 GLN H H 1 7.897 0.00 . 1 . . . . B 547 GLN H . 30765 1 1352 . 2 . 2 32 32 GLN HA H 1 3.969 0.00 . 1 . . . . B 547 GLN HA . 30765 1 1353 . 2 . 2 32 32 GLN HB2 H 1 2.204 0.00 . 1 . . . . B 547 GLN HB2 . 30765 1 1354 . 2 . 2 32 32 GLN HB3 H 1 2.172 0.00 . 1 . . . . B 547 GLN HB3 . 30765 1 1355 . 2 . 2 32 32 GLN HG2 H 1 2.571 0.00 . 1 . . . . B 547 GLN HG2 . 30765 1 1356 . 2 . 2 32 32 GLN HG3 H 1 2.431 0.00 . 1 . . . . B 547 GLN HG3 . 30765 1 1357 . 2 . 2 32 32 GLN HE21 H 1 7.484 0.00 . 1 . . . . B 547 GLN HE21 . 30765 1 1358 . 2 . 2 32 32 GLN HE22 H 1 6.843 0.00 . 1 . . . . B 547 GLN HE22 . 30765 1 1359 . 2 . 2 32 32 GLN C C 13 177.919 0.00 . 1 . . . . B 547 GLN C . 30765 1 1360 . 2 . 2 32 32 GLN CA C 13 59.990 0.00 . 1 . . . . B 547 GLN CA . 30765 1 1361 . 2 . 2 32 32 GLN CB C 13 28.300 0.00 . 1 . . . . B 547 GLN CB . 30765 1 1362 . 2 . 2 32 32 GLN CG C 13 33.879 0.03 . 1 . . . . B 547 GLN CG . 30765 1 1363 . 2 . 2 32 32 GLN N N 15 118.391 0.00 . 1 . . . . B 547 GLN N . 30765 1 1364 . 2 . 2 32 32 GLN NE2 N 15 111.106 0.04 . 1 . . . . B 547 GLN NE2 . 30765 1 1365 . 2 . 2 33 33 LYS H H 1 8.185 0.00 . 1 . . . . B 548 LYS H . 30765 1 1366 . 2 . 2 33 33 LYS HA H 1 4.029 0.00 . 1 . . . . B 548 LYS HA . 30765 1 1367 . 2 . 2 33 33 LYS HB2 H 1 1.655 0.00 . 1 . . . . B 548 LYS HB2 . 30765 1 1368 . 2 . 2 33 33 LYS HB3 H 1 1.604 0.00 . 1 . . . . B 548 LYS HB3 . 30765 1 1369 . 2 . 2 33 33 LYS HG2 H 1 1.080 0.00 . 1 . . . . B 548 LYS HG2 . 30765 1 1370 . 2 . 2 33 33 LYS HG3 H 1 1.080 0.00 . 1 . . . . B 548 LYS HG3 . 30765 1 1371 . 2 . 2 33 33 LYS HD2 H 1 1.382 0.00 . 1 . . . . B 548 LYS HD2 . 30765 1 1372 . 2 . 2 33 33 LYS HD3 H 1 1.382 0.00 . 1 . . . . B 548 LYS HD3 . 30765 1 1373 . 2 . 2 33 33 LYS HE2 H 1 2.686 0.00 . 1 . . . . B 548 LYS HE2 . 30765 1 1374 . 2 . 2 33 33 LYS HE3 H 1 2.646 0.00 . 1 . . . . B 548 LYS HE3 . 30765 1 1375 . 2 . 2 33 33 LYS C C 13 177.113 0.00 . 1 . . . . B 548 LYS C . 30765 1 1376 . 2 . 2 33 33 LYS CA C 13 59.112 0.00 . 1 . . . . B 548 LYS CA . 30765 1 1377 . 2 . 2 33 33 LYS CB C 13 30.884 0.01 . 1 . . . . B 548 LYS CB . 30765 1 1378 . 2 . 2 33 33 LYS CG C 13 23.333 0.00 . 1 . . . . B 548 LYS CG . 30765 1 1379 . 2 . 2 33 33 LYS CD C 13 28.926 0.00 . 1 . . . . B 548 LYS CD . 30765 1 1380 . 2 . 2 33 33 LYS CE C 13 41.510 0.00 . 1 . . . . B 548 LYS CE . 30765 1 1381 . 2 . 2 33 33 LYS N N 15 116.949 0.00 . 1 . . . . B 548 LYS N . 30765 1 1382 . 2 . 2 34 34 TRP H H 1 6.953 0.00 . 1 . . . . B 549 TRP H . 30765 1 1383 . 2 . 2 34 34 TRP HA H 1 3.972 0.00 . 1 . . . . B 549 TRP HA . 30765 1 1384 . 2 . 2 34 34 TRP HB2 H 1 3.264 0.00 . 1 . . . . B 549 TRP HB2 . 30765 1 1385 . 2 . 2 34 34 TRP HB3 H 1 3.114 0.00 . 1 . . . . B 549 TRP HB3 . 30765 1 1386 . 2 . 2 34 34 TRP HD1 H 1 7.469 0.00 . 1 . . . . B 549 TRP HD1 . 30765 1 1387 . 2 . 2 34 34 TRP HE1 H 1 10.557 0.00 . 1 . . . . B 549 TRP HE1 . 30765 1 1388 . 2 . 2 34 34 TRP HE3 H 1 7.541 0.00 . 1 . . . . B 549 TRP HE3 . 30765 1 1389 . 2 . 2 34 34 TRP HZ2 H 1 7.595 0.00 . 1 . . . . B 549 TRP HZ2 . 30765 1 1390 . 2 . 2 34 34 TRP HZ3 H 1 6.632 0.00 . 1 . . . . B 549 TRP HZ3 . 30765 1 1391 . 2 . 2 34 34 TRP HH2 H 1 7.055 0.00 . 1 . . . . B 549 TRP HH2 . 30765 1 1392 . 2 . 2 34 34 TRP C C 13 177.399 0.00 . 1 . . . . B 549 TRP C . 30765 1 1393 . 2 . 2 34 34 TRP CA C 13 59.986 0.00 . 1 . . . . B 549 TRP CA . 30765 1 1394 . 2 . 2 34 34 TRP CB C 13 28.861 0.01 . 1 . . . . B 549 TRP CB . 30765 1 1395 . 2 . 2 34 34 TRP CD1 C 13 127.091 0.00 . 1 . . . . B 549 TRP CD1 . 30765 1 1396 . 2 . 2 34 34 TRP CE3 C 13 120.839 0.00 . 1 . . . . B 549 TRP CE3 . 30765 1 1397 . 2 . 2 34 34 TRP CZ2 C 13 113.690 0.00 . 1 . . . . B 549 TRP CZ2 . 30765 1 1398 . 2 . 2 34 34 TRP CZ3 C 13 120.798 0.00 . 1 . . . . B 549 TRP CZ3 . 30765 1 1399 . 2 . 2 34 34 TRP CH2 C 13 124.389 0.00 . 1 . . . . B 549 TRP CH2 . 30765 1 1400 . 2 . 2 34 34 TRP N N 15 120.085 0.00 . 1 . . . . B 549 TRP N . 30765 1 1401 . 2 . 2 34 34 TRP NE1 N 15 129.993 0.00 . 1 . . . . B 549 TRP NE1 . 30765 1 1402 . 2 . 2 35 35 VAL H H 1 7.668 0.00 . 1 . . . . B 550 VAL H . 30765 1 1403 . 2 . 2 35 35 VAL HA H 1 3.524 0.00 . 1 . . . . B 550 VAL HA . 30765 1 1404 . 2 . 2 35 35 VAL HB H 1 1.925 0.00 . 1 . . . . B 550 VAL HB . 30765 1 1405 . 2 . 2 35 35 VAL HG11 H 1 0.850 0.00 . 1 . . . . B 550 VAL HG11 . 30765 1 1406 . 2 . 2 35 35 VAL HG12 H 1 0.850 0.00 . 1 . . . . B 550 VAL HG12 . 30765 1 1407 . 2 . 2 35 35 VAL HG13 H 1 0.850 0.00 . 1 . . . . B 550 VAL HG13 . 30765 1 1408 . 2 . 2 35 35 VAL HG21 H 1 0.809 0.00 . 1 . . . . B 550 VAL HG21 . 30765 1 1409 . 2 . 2 35 35 VAL HG22 H 1 0.809 0.00 . 1 . . . . B 550 VAL HG22 . 30765 1 1410 . 2 . 2 35 35 VAL HG23 H 1 0.809 0.00 . 1 . . . . B 550 VAL HG23 . 30765 1 1411 . 2 . 2 35 35 VAL C C 13 177.434 0.00 . 1 . . . . B 550 VAL C . 30765 1 1412 . 2 . 2 35 35 VAL CA C 13 66.556 0.00 . 1 . . . . B 550 VAL CA . 30765 1 1413 . 2 . 2 35 35 VAL CB C 13 32.120 0.00 . 1 . . . . B 550 VAL CB . 30765 1 1414 . 2 . 2 35 35 VAL CG1 C 13 22.091 0.00 . 1 . . . . B 550 VAL CG1 . 30765 1 1415 . 2 . 2 35 35 VAL CG2 C 13 22.028 0.00 . 1 . . . . B 550 VAL CG2 . 30765 1 1416 . 2 . 2 35 35 VAL N N 15 117.017 0.00 . 1 . . . . B 550 VAL N . 30765 1 1417 . 2 . 2 36 36 ARG H H 1 8.555 0.00 . 1 . . . . B 551 ARG H . 30765 1 1418 . 2 . 2 36 36 ARG HA H 1 4.004 0.00 . 1 . . . . B 551 ARG HA . 30765 1 1419 . 2 . 2 36 36 ARG HB2 H 1 1.974 0.00 . 1 . . . . B 551 ARG HB2 . 30765 1 1420 . 2 . 2 36 36 ARG HB3 H 1 1.974 0.00 . 1 . . . . B 551 ARG HB3 . 30765 1 1421 . 2 . 2 36 36 ARG HG2 H 1 1.818 0.00 . 2 . . . . B 551 ARG HG2 . 30765 1 1422 . 2 . 2 36 36 ARG HG3 H 1 1.719 0.00 . 2 . . . . B 551 ARG HG3 . 30765 1 1423 . 2 . 2 36 36 ARG HD2 H 1 3.216 0.00 . 1 . . . . B 551 ARG HD2 . 30765 1 1424 . 2 . 2 36 36 ARG HD3 H 1 3.216 0.00 . 1 . . . . B 551 ARG HD3 . 30765 1 1425 . 2 . 2 36 36 ARG C C 13 178.105 0.00 . 1 . . . . B 551 ARG C . 30765 1 1426 . 2 . 2 36 36 ARG CA C 13 59.846 0.00 . 1 . . . . B 551 ARG CA . 30765 1 1427 . 2 . 2 36 36 ARG CB C 13 30.424 0.00 . 1 . . . . B 551 ARG CB . 30765 1 1428 . 2 . 2 36 36 ARG CG C 13 26.610 0.04 . 1 . . . . B 551 ARG CG . 30765 1 1429 . 2 . 2 36 36 ARG CD C 13 43.520 0.00 . 1 . . . . B 551 ARG CD . 30765 1 1430 . 2 . 2 36 36 ARG N N 15 118.389 0.00 . 1 . . . . B 551 ARG N . 30765 1 1431 . 2 . 2 37 37 VAL H H 1 7.743 0.00 . 1 . . . . B 552 VAL H . 30765 1 1432 . 2 . 2 37 37 VAL HA H 1 3.788 0.00 . 1 . . . . B 552 VAL HA . 30765 1 1433 . 2 . 2 37 37 VAL HB H 1 2.175 0.00 . 1 . . . . B 552 VAL HB . 30765 1 1434 . 2 . 2 37 37 VAL HG11 H 1 1.082 0.00 . 1 . . . . B 552 VAL HG11 . 30765 1 1435 . 2 . 2 37 37 VAL HG12 H 1 1.082 0.00 . 1 . . . . B 552 VAL HG12 . 30765 1 1436 . 2 . 2 37 37 VAL HG13 H 1 1.082 0.00 . 1 . . . . B 552 VAL HG13 . 30765 1 1437 . 2 . 2 37 37 VAL HG21 H 1 0.957 0.00 . 1 . . . . B 552 VAL HG21 . 30765 1 1438 . 2 . 2 37 37 VAL HG22 H 1 0.957 0.00 . 1 . . . . B 552 VAL HG22 . 30765 1 1439 . 2 . 2 37 37 VAL HG23 H 1 0.957 0.00 . 1 . . . . B 552 VAL HG23 . 30765 1 1440 . 2 . 2 37 37 VAL C C 13 177.894 0.00 . 1 . . . . B 552 VAL C . 30765 1 1441 . 2 . 2 37 37 VAL CA C 13 66.151 0.00 . 1 . . . . B 552 VAL CA . 30765 1 1442 . 2 . 2 37 37 VAL CB C 13 31.955 0.00 . 1 . . . . B 552 VAL CB . 30765 1 1443 . 2 . 2 37 37 VAL CG1 C 13 23.403 0.00 . 1 . . . . B 552 VAL CG1 . 30765 1 1444 . 2 . 2 37 37 VAL CG2 C 13 21.969 0.00 . 1 . . . . B 552 VAL CG2 . 30765 1 1445 . 2 . 2 37 37 VAL N N 15 117.212 0.00 . 1 . . . . B 552 VAL N . 30765 1 1446 . 2 . 2 38 38 TYR H H 1 7.815 0.00 . 1 . . . . B 553 TYR H . 30765 1 1447 . 2 . 2 38 38 TYR HA H 1 4.111 0.00 . 1 . . . . B 553 TYR HA . 30765 1 1448 . 2 . 2 38 38 TYR HB2 H 1 3.420 0.00 . 1 . . . . B 553 TYR HB2 . 30765 1 1449 . 2 . 2 38 38 TYR HB3 H 1 3.420 0.00 . 1 . . . . B 553 TYR HB3 . 30765 1 1450 . 2 . 2 38 38 TYR HD1 H 1 7.027 0.00 . 1 . . . . B 553 TYR HD1 . 30765 1 1451 . 2 . 2 38 38 TYR HD2 H 1 7.027 0.00 . 1 . . . . B 553 TYR HD2 . 30765 1 1452 . 2 . 2 38 38 TYR HE1 H 1 6.928 0.00 . 1 . . . . B 553 TYR HE1 . 30765 1 1453 . 2 . 2 38 38 TYR HE2 H 1 6.778 0.00 . 1 . . . . B 553 TYR HE2 . 30765 1 1454 . 2 . 2 38 38 TYR C C 13 178.086 0.00 . 1 . . . . B 553 TYR C . 30765 1 1455 . 2 . 2 38 38 TYR CA C 13 62.052 0.00 . 1 . . . . B 553 TYR CA . 30765 1 1456 . 2 . 2 38 38 TYR CB C 13 39.988 0.00 . 1 . . . . B 553 TYR CB . 30765 1 1457 . 2 . 2 38 38 TYR CD1 C 13 133.684 0.00 . 1 . . . . B 553 TYR CD1 . 30765 1 1458 . 2 . 2 38 38 TYR CD2 C 13 132.889 0.00 . 1 . . . . B 553 TYR CD2 . 30765 1 1459 . 2 . 2 38 38 TYR CE1 C 13 117.695 0.00 . 1 . . . . B 553 TYR CE1 . 30765 1 1460 . 2 . 2 38 38 TYR CE2 C 13 118.171 0.00 . 1 . . . . B 553 TYR CE2 . 30765 1 1461 . 2 . 2 38 38 TYR N N 15 118.554 0.00 . 1 . . . . B 553 TYR N . 30765 1 1462 . 2 . 2 39 39 LEU H H 1 8.764 0.00 . 1 . . . . B 554 LEU H . 30765 1 1463 . 2 . 2 39 39 LEU HA H 1 4.027 0.00 . 1 . . . . B 554 LEU HA . 30765 1 1464 . 2 . 2 39 39 LEU HB2 H 1 2.031 0.00 . 1 . . . . B 554 LEU HB2 . 30765 1 1465 . 2 . 2 39 39 LEU HB3 H 1 2.031 0.00 . 1 . . . . B 554 LEU HB3 . 30765 1 1466 . 2 . 2 39 39 LEU HG H 1 1.739 0.00 . 1 . . . . B 554 LEU HG . 30765 1 1467 . 2 . 2 39 39 LEU HD11 H 1 1.043 0.00 . 1 . . . . B 554 LEU HD11 . 30765 1 1468 . 2 . 2 39 39 LEU HD12 H 1 1.043 0.00 . 1 . . . . B 554 LEU HD12 . 30765 1 1469 . 2 . 2 39 39 LEU HD13 H 1 1.043 0.00 . 1 . . . . B 554 LEU HD13 . 30765 1 1470 . 2 . 2 39 39 LEU HD21 H 1 0.958 0.00 . 1 . . . . B 554 LEU HD21 . 30765 1 1471 . 2 . 2 39 39 LEU HD22 H 1 0.958 0.00 . 1 . . . . B 554 LEU HD22 . 30765 1 1472 . 2 . 2 39 39 LEU HD23 H 1 0.958 0.00 . 1 . . . . B 554 LEU HD23 . 30765 1 1473 . 2 . 2 39 39 LEU C C 13 178.829 0.00 . 1 . . . . B 554 LEU C . 30765 1 1474 . 2 . 2 39 39 LEU CA C 13 57.073 0.00 . 1 . . . . B 554 LEU CA . 30765 1 1475 . 2 . 2 39 39 LEU CB C 13 41.660 0.00 . 1 . . . . B 554 LEU CB . 30765 1 1476 . 2 . 2 39 39 LEU CG C 13 27.238 0.00 . 1 . . . . B 554 LEU CG . 30765 1 1477 . 2 . 2 39 39 LEU CD1 C 13 22.289 0.00 . 1 . . . . B 554 LEU CD1 . 30765 1 1478 . 2 . 2 39 39 LEU CD2 C 13 22.039 0.00 . 1 . . . . B 554 LEU CD2 . 30765 1 1479 . 2 . 2 39 39 LEU N N 15 119.225 0.00 . 1 . . . . B 554 LEU N . 30765 1 1480 . 2 . 2 40 40 ASP H H 1 8.180 0.00 . 1 . . . . B 555 ASP H . 30765 1 1481 . 2 . 2 40 40 ASP HA H 1 4.680 0.00 . 1 . . . . B 555 ASP HA . 30765 1 1482 . 2 . 2 40 40 ASP HB2 H 1 2.828 0.00 . 1 . . . . B 555 ASP HB2 . 30765 1 1483 . 2 . 2 40 40 ASP HB3 H 1 2.725 0.00 . 1 . . . . B 555 ASP HB3 . 30765 1 1484 . 2 . 2 40 40 ASP C C 13 176.527 0.00 . 1 . . . . B 555 ASP C . 30765 1 1485 . 2 . 2 40 40 ASP CA C 13 54.771 0.00 . 1 . . . . B 555 ASP CA . 30765 1 1486 . 2 . 2 40 40 ASP CB C 13 40.305 0.01 . 1 . . . . B 555 ASP CB . 30765 1 1487 . 2 . 2 40 40 ASP N N 15 119.357 0.00 . 1 . . . . B 555 ASP N . 30765 1 1488 . 2 . 2 41 41 ARG H H 1 7.643 0.00 . 1 . . . . B 556 ARG H . 30765 1 1489 . 2 . 2 41 41 ARG HA H 1 3.969 0.00 . 1 . . . . B 556 ARG HA . 30765 1 1490 . 2 . 2 41 41 ARG HB2 H 1 1.829 0.00 . 1 . . . . B 556 ARG HB2 . 30765 1 1491 . 2 . 2 41 41 ARG HB3 H 1 1.829 0.00 . 1 . . . . B 556 ARG HB3 . 30765 1 1492 . 2 . 2 41 41 ARG HG2 H 1 1.588 0.00 . 1 . . . . B 556 ARG HG2 . 30765 1 1493 . 2 . 2 41 41 ARG HG3 H 1 1.512 0.00 . 1 . . . . B 556 ARG HG3 . 30765 1 1494 . 2 . 2 41 41 ARG HD2 H 1 3.072 0.00 . 1 . . . . B 556 ARG HD2 . 30765 1 1495 . 2 . 2 41 41 ARG HD3 H 1 3.017 0.00 . 1 . . . . B 556 ARG HD3 . 30765 1 1496 . 2 . 2 41 41 ARG C C 13 176.394 0.00 . 1 . . . . B 556 ARG C . 30765 1 1497 . 2 . 2 41 41 ARG CA C 13 56.788 0.00 . 1 . . . . B 556 ARG CA . 30765 1 1498 . 2 . 2 41 41 ARG CB C 13 28.756 0.00 . 1 . . . . B 556 ARG CB . 30765 1 1499 . 2 . 2 41 41 ARG CG C 13 26.358 0.02 . 1 . . . . B 556 ARG CG . 30765 1 1500 . 2 . 2 41 41 ARG CD C 13 43.055 0.01 . 1 . . . . B 556 ARG CD . 30765 1 1501 . 2 . 2 41 41 ARG N N 15 119.588 0.00 . 1 . . . . B 556 ARG N . 30765 1 1502 . 2 . 2 42 42 GLY H H 1 8.468 0.00 . 1 . . . . B 557 GLY H . 30765 1 1503 . 2 . 2 42 42 GLY HA2 H 1 3.949 0.00 . 1 . . . . B 557 GLY HA2 . 30765 1 1504 . 2 . 2 42 42 GLY HA3 H 1 3.743 0.00 . 1 . . . . B 557 GLY HA3 . 30765 1 1505 . 2 . 2 42 42 GLY C C 13 174.087 0.00 . 1 . . . . B 557 GLY C . 30765 1 1506 . 2 . 2 42 42 GLY CA C 13 45.680 0.01 . 1 . . . . B 557 GLY CA . 30765 1 1507 . 2 . 2 42 42 GLY N N 15 107.656 0.00 . 1 . . . . B 557 GLY N . 30765 1 1508 . 2 . 2 43 43 GLN H H 1 7.888 0.00 . 1 . . . . B 558 GLN H . 30765 1 1509 . 2 . 2 43 43 GLN HA H 1 4.306 0.00 . 1 . . . . B 558 GLN HA . 30765 1 1510 . 2 . 2 43 43 GLN HB2 H 1 2.135 0.00 . 2 . . . . B 558 GLN HB2 . 30765 1 1511 . 2 . 2 43 43 GLN HB3 H 1 1.995 0.00 . 2 . . . . B 558 GLN HB3 . 30765 1 1512 . 2 . 2 43 43 GLN HG2 H 1 2.373 0.00 . 1 . . . . B 558 GLN HG2 . 30765 1 1513 . 2 . 2 43 43 GLN HG3 H 1 2.330 0.00 . 1 . . . . B 558 GLN HG3 . 30765 1 1514 . 2 . 2 43 43 GLN HE21 H 1 7.544 0.00 . 1 . . . . B 558 GLN HE21 . 30765 1 1515 . 2 . 2 43 43 GLN HE22 H 1 6.822 0.00 . 1 . . . . B 558 GLN HE22 . 30765 1 1516 . 2 . 2 43 43 GLN C C 13 175.962 0.00 . 1 . . . . B 558 GLN C . 30765 1 1517 . 2 . 2 43 43 GLN CA C 13 55.807 0.00 . 1 . . . . B 558 GLN CA . 30765 1 1518 . 2 . 2 43 43 GLN CB C 13 29.589 0.06 . 1 . . . . B 558 GLN CB . 30765 1 1519 . 2 . 2 43 43 GLN CG C 13 33.870 0.00 . 1 . . . . B 558 GLN CG . 30765 1 1520 . 2 . 2 43 43 GLN N N 15 119.190 0.00 . 1 . . . . B 558 GLN N . 30765 1 1521 . 2 . 2 43 43 GLN NE2 N 15 112.418 0.02 . 1 . . . . B 558 GLN NE2 . 30765 1 1522 . 2 . 2 44 44 GLU H H 1 8.476 0.00 . 1 . . . . B 559 GLU H . 30765 1 1523 . 2 . 2 44 44 GLU HA H 1 4.248 0.00 . 1 . . . . B 559 GLU HA . 30765 1 1524 . 2 . 2 44 44 GLU HB2 H 1 2.030 0.00 . 2 . . . . B 559 GLU HB2 . 30765 1 1525 . 2 . 2 44 44 GLU HB3 H 1 1.912 0.00 . 2 . . . . B 559 GLU HB3 . 30765 1 1526 . 2 . 2 44 44 GLU HG2 H 1 2.276 0.00 . 2 . . . . B 559 GLU HG2 . 30765 1 1527 . 2 . 2 44 44 GLU HG3 H 1 2.235 0.00 . 2 . . . . B 559 GLU HG3 . 30765 1 1528 . 2 . 2 44 44 GLU C C 13 176.076 0.00 . 1 . . . . B 559 GLU C . 30765 1 1529 . 2 . 2 44 44 GLU CA C 13 56.496 0.00 . 1 . . . . B 559 GLU CA . 30765 1 1530 . 2 . 2 44 44 GLU CB C 13 30.389 0.01 . 1 . . . . B 559 GLU CB . 30765 1 1531 . 2 . 2 44 44 GLU CG C 13 36.158 0.01 . 1 . . . . B 559 GLU CG . 30765 1 1532 . 2 . 2 44 44 GLU N N 15 121.770 0.00 . 1 . . . . B 559 GLU N . 30765 1 1533 . 2 . 2 45 45 ALA H H 1 8.317 0.00 . 1 . . . . B 560 ALA H . 30765 1 1534 . 2 . 2 45 45 ALA HA H 1 4.319 0.00 . 1 . . . . B 560 ALA HA . 30765 1 1535 . 2 . 2 45 45 ALA HB1 H 1 1.365 0.00 . 1 . . . . B 560 ALA HB1 . 30765 1 1536 . 2 . 2 45 45 ALA HB2 H 1 1.365 0.00 . 1 . . . . B 560 ALA HB2 . 30765 1 1537 . 2 . 2 45 45 ALA HB3 H 1 1.365 0.00 . 1 . . . . B 560 ALA HB3 . 30765 1 1538 . 2 . 2 45 45 ALA C C 13 177.426 0.00 . 1 . . . . B 560 ALA C . 30765 1 1539 . 2 . 2 45 45 ALA CA C 13 52.413 0.00 . 1 . . . . B 560 ALA CA . 30765 1 1540 . 2 . 2 45 45 ALA CB C 13 19.294 0.00 . 1 . . . . B 560 ALA CB . 30765 1 1541 . 2 . 2 45 45 ALA N N 15 125.126 0.00 . 1 . . . . B 560 ALA N . 30765 1 1542 . 2 . 2 46 46 ILE H H 1 8.073 0.00 . 1 . . . . B 561 ILE H . 30765 1 1543 . 2 . 2 46 46 ILE HA H 1 4.131 0.00 . 1 . . . . B 561 ILE HA . 30765 1 1544 . 2 . 2 46 46 ILE HB H 1 1.875 0.00 . 1 . . . . B 561 ILE HB . 30765 1 1545 . 2 . 2 46 46 ILE HG12 H 1 1.487 0.00 . 1 . . . . B 561 ILE HG12 . 30765 1 1546 . 2 . 2 46 46 ILE HG13 H 1 1.186 0.00 . 1 . . . . B 561 ILE HG13 . 30765 1 1547 . 2 . 2 46 46 ILE HG21 H 1 0.910 0.00 . 1 . . . . B 561 ILE HG21 . 30765 1 1548 . 2 . 2 46 46 ILE HG22 H 1 0.910 0.00 . 1 . . . . B 561 ILE HG22 . 30765 1 1549 . 2 . 2 46 46 ILE HG23 H 1 0.910 0.00 . 1 . . . . B 561 ILE HG23 . 30765 1 1550 . 2 . 2 46 46 ILE HD11 H 1 0.856 0.00 . 1 . . . . B 561 ILE HD11 . 30765 1 1551 . 2 . 2 46 46 ILE HD12 H 1 0.856 0.00 . 1 . . . . B 561 ILE HD12 . 30765 1 1552 . 2 . 2 46 46 ILE HD13 H 1 0.856 0.00 . 1 . . . . B 561 ILE HD13 . 30765 1 1553 . 2 . 2 46 46 ILE C C 13 175.341 0.00 . 1 . . . . B 561 ILE C . 30765 1 1554 . 2 . 2 46 46 ILE CA C 13 61.268 0.00 . 1 . . . . B 561 ILE CA . 30765 1 1555 . 2 . 2 46 46 ILE CB C 13 38.563 0.00 . 1 . . . . B 561 ILE CB . 30765 1 1556 . 2 . 2 46 46 ILE CG1 C 13 27.404 0.03 . 1 . . . . B 561 ILE CG1 . 30765 1 1557 . 2 . 2 46 46 ILE CG2 C 13 17.599 0.00 . 1 . . . . B 561 ILE CG2 . 30765 1 1558 . 2 . 2 46 46 ILE CD1 C 13 12.955 0.00 . 1 . . . . B 561 ILE CD1 . 30765 1 1559 . 2 . 2 46 46 ILE N N 15 120.752 0.00 . 1 . . . . B 561 ILE N . 30765 1 1560 . 2 . 2 47 47 LYS H H 1 7.900 0.00 . 1 . . . . B 562 LYS H . 30765 1 1561 . 2 . 2 47 47 LYS N N 15 130.554 0.00 . 1 . . . . B 562 LYS N . 30765 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 30765 _Spectral_peak_list.ID 1 _Spectral_peak_list.Name . _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 21 _Spectral_peak_list.Experiment_name '3D 1H-13C NOESY' _Spectral_peak_list.Experiment_class . _Spectral_peak_list.Experiment_type . _Spectral_peak_list.Number_of_spectral_dimensions 3 _Spectral_peak_list.Chemical_shift_list . _Spectral_peak_list.Assigned_chem_shift_list_ID 1 _Spectral_peak_list.Assigned_chem_shift_list_label $assigned_chemical_shifts_1 _Spectral_peak_list.Details . _Spectral_peak_list.Text_data_format text _Spectral_peak_list.Text_data ; # Number of dimensions 3 # Number of peaks 1002 #FORMAT xeasy3D #INAME 1 C #INAME 2 H #INAME 3 HC #SPECTRUM C13NOESY C H HC 1 55.388 4.434 4.434 1 U 4.580000E+08 0.000000E+00 e 0 0 0 0 2 55.240 2.033 4.434 1 U 7.430000E+06 0.000000E+00 e 0 0 0 0 3 55.095 7.585 4.450 1 U 4.630000E+06 0.000000E+00 e 0 0 0 0 4 55.095 2.706 4.460 1 U 2.240000E+06 0.000000E+00 e 0 0 0 0 5 55.167 1.932 4.456 1 U 5.710000E+06 0.000000E+00 e 0 0 0 0 6 55.155 1.906 4.414 1 U 3.540000E+06 0.000000E+00 e 0 0 0 0 7 55.095 1.794 4.456 1 U 5.810000E+06 0.000000E+00 e 0 0 0 0 8 32.972 2.491 2.039 1 U 8.740000E+06 0.000000E+00 e 0 0 0 0 9 32.778 8.155 2.052 1 U 2.690000E+06 0.000000E+00 e 0 0 0 0 10 32.767 2.028 2.040 1 U 9.550000E+07 0.000000E+00 e 0 0 0 0 11 32.649 4.173 2.068 1 U 2.880000E+06 0.000000E+00 e 0 0 0 0 12 32.650 3.909 2.041 1 U 3.800000E+06 0.000000E+00 e 0 0 0 0 13 32.615 3.929 2.062 1 U 3.930000E+06 0.000000E+00 e 0 0 0 0 14 32.775 3.897 2.012 1 U 4.040000E+06 0.000000E+00 e 0 0 0 0 15 32.764 2.189 2.012 1 U 4.550000E+06 0.000000E+00 e 0 0 0 0 16 32.666 8.451 2.023 1 U 3.400000E+06 0.000000E+00 e 0 0 0 0 17 32.655 8.152 2.026 1 U 3.770000E+06 0.000000E+00 e 0 0 0 0 18 32.694 8.148 2.002 1 U 4.450000E+06 0.000000E+00 e 0 0 0 0 19 32.577 4.190 2.003 1 U 3.020000E+06 0.000000E+00 e 0 0 0 0 20 32.604 4.178 2.013 1 U 2.790000E+06 0.000000E+00 e 0 0 0 0 21 32.594 3.912 2.001 1 U 4.280000E+06 0.000000E+00 e 0 0 0 0 22 32.624 3.897 2.018 1 U 4.260000E+06 0.000000E+00 e 0 0 0 0 23 32.520 1.469 2.023 1 U 5.310000E+06 0.000000E+00 e 0 0 0 0 24 31.841 2.440 2.493 1 U 1.920000E+08 0.000000E+00 e 0 0 0 0 25 31.845 2.479 2.430 1 U 1.710000E+08 0.000000E+00 e 0 0 0 0 26 41.220 2.685 2.729 1 U 2.080000E+08 0.000000E+00 e 0 0 0 0 27 41.130 4.611 2.724 1 U 3.170000E+06 0.000000E+00 e 0 0 0 0 28 41.197 4.594 2.666 1 U 3.570000E+06 0.000000E+00 e 0 0 0 0 29 41.218 2.710 2.658 1 U 1.960000E+08 0.000000E+00 e 0 0 0 0 30 53.371 4.759 4.758 1 U 4.630000E+08 0.000000E+00 e 0 0 0 0 31 39.065 3.277 2.843 1 U 2.730000E+06 0.000000E+00 e 0 0 0 0 32 38.899 6.974 2.865 1 U 2.050000E+06 0.000000E+00 e 0 0 0 0 33 38.870 3.179 2.857 1 U 2.560000E+06 0.000000E+00 e 0 0 0 0 34 38.857 2.594 2.858 1 U 4.010000E+06 0.000000E+00 e 0 0 0 0 35 38.867 2.999 2.800 1 U 3.300000E+06 0.000000E+00 e 0 0 0 0 36 59.380 4.341 4.341 1 U 4.770000E+08 0.000000E+00 e 0 0 0 0 37 59.368 1.749 4.339 1 U 2.140000E+06 0.000000E+00 e 0 0 0 0 38 59.329 3.920 4.341 1 U 1.260000E+07 0.000000E+00 e 0 0 0 0 39 64.257 4.923 3.929 1 U 3.290000E+06 0.000000E+00 e 0 0 0 0 40 64.288 2.773 3.929 1 U 2.090000E+06 0.000000E+00 e 0 0 0 0 41 64.227 7.472 3.943 1 U 2.840000E+06 0.000000E+00 e 0 0 0 0 42 52.909 8.007 4.352 1 U 6.390000E+06 0.000000E+00 e 0 0 0 0 43 52.872 4.347 4.347 1 U 6.510000E+08 0.000000E+00 e 0 0 0 0 44 52.625 8.318 4.348 1 U 2.080000E+06 0.000000E+00 e 0 0 0 0 45 19.175 3.163 1.432 1 U 2.040000E+06 0.000000E+00 e 0 0 0 0 46 19.143 7.724 1.418 1 U 2.060000E+06 0.000000E+00 e 0 0 0 0 47 19.123 7.448 1.414 1 U 2.680000E+07 0.000000E+00 e 0 0 0 0 48 19.094 4.354 1.412 1 U 4.870000E+07 0.000000E+00 e 0 0 0 0 49 19.052 4.029 1.416 1 U 5.910000E+06 0.000000E+00 e 0 0 0 0 50 19.011 8.296 1.408 1 U 4.000000E+06 0.000000E+00 e 0 0 0 0 51 19.048 8.006 1.412 1 U 3.140000E+06 0.000000E+00 e 0 0 0 0 52 19.049 1.415 1.416 1 U 3.200000E+09 0.000000E+00 e 0 0 0 0 53 18.936 3.920 1.408 1 U 2.880000E+06 0.000000E+00 e 0 0 0 0 54 18.878 3.016 1.429 1 U 2.400000E+06 0.000000E+00 e 0 0 0 0 55 58.899 1.929 4.410 1 U 2.710000E+06 0.000000E+00 e 0 0 0 0 56 58.858 1.722 4.411 1 U 4.650000E+06 0.000000E+00 e 0 0 0 0 57 58.849 0.803 4.413 1 U 8.180000E+06 0.000000E+00 e 0 0 0 0 58 58.723 8.304 4.415 1 U 3.690000E+06 0.000000E+00 e 0 0 0 0 59 58.711 4.403 4.404 1 U 7.480000E+08 0.000000E+00 e 0 0 0 0 60 58.781 3.906 4.411 1 U 2.710000E+07 0.000000E+00 e 0 0 0 0 61 58.773 1.915 4.414 1 U 2.820000E+06 0.000000E+00 e 0 0 0 0 62 58.640 7.614 4.419 1 U 2.300000E+06 0.000000E+00 e 0 0 0 0 63 58.458 1.443 4.407 1 U 2.080000E+06 0.000000E+00 e 0 0 0 0 64 63.766 0.915 3.897 1 U 2.530000E+06 0.000000E+00 e 0 0 0 0 65 63.698 8.284 3.903 1 U 3.070000E+06 0.000000E+00 e 0 0 0 0 66 63.685 8.294 3.881 1 U 3.250000E+06 0.000000E+00 e 0 0 0 0 67 63.687 4.437 3.899 1 U 3.430000E+07 0.000000E+00 e 0 0 0 0 68 63.682 3.907 3.900 1 U 1.550000E+09 0.000000E+00 e 0 0 0 0 69 63.734 1.429 3.887 1 U 2.740000E+06 0.000000E+00 e 0 0 0 0 70 56.877 1.419 4.310 1 U 2.800000E+06 0.000000E+00 e 0 0 0 0 71 56.755 1.819 4.309 1 U 1.250000E+07 0.000000E+00 e 0 0 0 0 72 56.708 4.309 4.309 1 U 3.730000E+08 0.000000E+00 e 0 0 0 0 73 56.534 3.947 4.309 1 U 2.330000E+06 0.000000E+00 e 0 0 0 0 74 32.859 7.631 1.824 1 U 2.680000E+06 0.000000E+00 e 0 0 0 0 75 32.669 4.305 1.824 1 U 5.660000E+06 0.000000E+00 e 0 0 0 0 76 32.615 7.622 1.805 1 U 3.040000E+06 0.000000E+00 e 0 0 0 0 77 32.627 4.759 1.819 1 U 2.290000E+06 0.000000E+00 e 0 0 0 0 78 32.509 8.405 1.816 1 U 2.290000E+06 0.000000E+00 e 0 0 0 0 79 29.278 3.015 1.741 1 U 1.680000E+07 0.000000E+00 e 0 0 0 0 80 29.262 1.921 1.738 1 U 2.160000E+07 0.000000E+00 e 0 0 0 0 81 29.233 1.736 1.739 1 U 5.100000E+08 0.000000E+00 e 0 0 0 0 82 29.168 4.237 1.764 1 U 2.710000E+06 0.000000E+00 e 0 0 0 0 83 29.095 1.217 1.735 1 U 2.610000E+06 0.000000E+00 e 0 0 0 0 84 28.941 2.166 1.752 1 U 4.080000E+06 0.000000E+00 e 0 0 0 0 85 42.128 4.664 2.993 1 U 2.010000E+06 0.000000E+00 e 0 0 0 0 86 42.093 2.999 2.996 1 U 2.970000E+09 0.000000E+00 e 0 0 0 0 87 42.089 1.968 3.015 1 U 7.980000E+06 0.000000E+00 e 0 0 0 0 88 42.061 1.745 3.016 1 U 5.170000E+07 0.000000E+00 e 0 0 0 0 89 42.063 1.439 3.004 1 U 2.180000E+07 0.000000E+00 e 0 0 0 0 90 42.033 0.943 3.008 1 U 4.480000E+06 0.000000E+00 e 0 0 0 0 91 41.986 1.272 3.017 1 U 4.130000E+06 0.000000E+00 e 0 0 0 0 92 41.970 0.782 3.007 1 U 3.670000E+06 0.000000E+00 e 0 0 0 0 93 24.668 1.431 1.676 1 U 9.880000E+07 0.000000E+00 e 0 0 0 0 94 24.452 3.006 1.691 1 U 2.250000E+06 0.000000E+00 e 0 0 0 0 95 24.813 3.933 1.440 1 U 3.070000E+06 0.000000E+00 e 0 0 0 0 96 24.742 4.300 1.446 1 U 2.220000E+06 0.000000E+00 e 0 0 0 0 97 24.756 3.005 1.449 1 U 4.720000E+06 0.000000E+00 e 0 0 0 0 98 24.644 2.997 1.423 1 U 5.660000E+06 0.000000E+00 e 0 0 0 0 99 24.639 1.686 1.433 1 U 9.100000E+07 0.000000E+00 e 0 0 0 0 100 24.639 1.431 1.432 1 U 3.230000E+08 0.000000E+00 e 0 0 0 0 101 24.568 8.332 1.440 1 U 1.970000E+06 0.000000E+00 e 0 0 0 0 102 24.576 3.945 1.424 1 U 2.950000E+06 0.000000E+00 e 0 0 0 0 103 53.210 3.228 4.712 1 U 2.090000E+06 0.000000E+00 e 0 0 0 0 104 38.794 4.753 2.859 1 U 6.040000E+06 0.000000E+00 e 0 0 0 0 105 38.788 2.820 2.863 1 U 3.950000E+08 0.000000E+00 e 0 0 0 0 106 38.813 4.758 2.825 1 U 4.490000E+06 0.000000E+00 e 0 0 0 0 107 38.789 4.751 2.794 1 U 5.780000E+06 0.000000E+00 e 0 0 0 0 108 38.774 2.860 2.806 1 U 2.860000E+08 0.000000E+00 e 0 0 0 0 109 38.659 3.174 2.809 1 U 2.440000E+06 0.000000E+00 e 0 0 0 0 110 61.528 1.210 4.166 1 U 3.500000E+06 0.000000E+00 e 0 0 0 0 111 61.431 8.273 4.160 1 U 3.380000E+06 0.000000E+00 e 0 0 0 0 112 61.492 7.992 4.164 1 U 3.110000E+06 0.000000E+00 e 0 0 0 0 113 61.455 4.162 4.161 1 U 2.510000E+08 0.000000E+00 e 0 0 0 0 114 61.450 1.897 4.157 1 U 6.970000E+06 0.000000E+00 e 0 0 0 0 115 61.429 1.507 4.162 1 U 2.830000E+06 0.000000E+00 e 0 0 0 0 116 61.492 0.915 4.160 1 U 1.000000E+07 0.000000E+00 e 0 0 0 0 117 38.749 1.217 1.907 1 U 2.900000E+06 0.000000E+00 e 0 0 0 0 118 38.656 1.228 1.876 1 U 2.680000E+06 0.000000E+00 e 0 0 0 0 119 38.581 4.156 1.903 1 U 3.480000E+06 0.000000E+00 e 0 0 0 0 120 38.587 1.895 1.894 1 U 1.520000E+08 0.000000E+00 e 0 0 0 0 121 38.610 0.914 1.893 1 U 1.140000E+07 0.000000E+00 e 0 0 0 0 122 38.524 8.010 1.901 1 U 3.950000E+06 0.000000E+00 e 0 0 0 0 123 38.487 1.482 1.895 1 U 3.590000E+06 0.000000E+00 e 0 0 0 0 124 13.195 4.156 0.877 1 U 2.700000E+06 0.000000E+00 e 0 0 0 0 125 13.108 4.179 0.866 1 U 2.360000E+06 0.000000E+00 e 0 0 0 0 126 13.024 1.896 0.870 1 U 6.770000E+06 0.000000E+00 e 0 0 0 0 127 13.031 1.505 0.872 1 U 1.150000E+07 0.000000E+00 e 0 0 0 0 128 13.042 0.871 0.871 1 U 1.220000E+09 0.000000E+00 e 0 0 0 0 129 27.449 3.929 1.228 1 U 2.440000E+06 0.000000E+00 e 0 0 0 0 130 27.429 1.492 1.207 1 U 5.070000E+07 0.000000E+00 e 0 0 0 0 131 27.417 1.218 1.221 1 U 1.140000E+08 0.000000E+00 e 0 0 0 0 132 27.391 1.897 1.192 1 U 3.300000E+06 0.000000E+00 e 0 0 0 0 133 27.224 1.670 1.201 1 U 2.140000E+06 0.000000E+00 e 0 0 0 0 134 17.593 8.013 0.926 1 U 3.750000E+06 0.000000E+00 e 0 0 0 0 135 17.578 4.163 0.926 1 U 8.560000E+06 0.000000E+00 e 0 0 0 0 136 17.553 0.924 0.925 1 U 1.320000E+09 0.000000E+00 e 0 0 0 0 137 17.531 1.893 0.924 1 U 2.020000E+07 0.000000E+00 e 0 0 0 0 138 17.363 4.474 0.924 1 U 2.230000E+06 0.000000E+00 e 0 0 0 0 139 58.910 8.330 4.471 1 U 3.790000E+06 0.000000E+00 e 0 0 0 0 140 58.900 3.936 4.470 1 U 2.860000E+07 0.000000E+00 e 0 0 0 0 141 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7.000000E+06 0.000000E+00 e 0 0 0 0 821 14.772 0.570 0.744 1 U 6.700000E+06 0.000000E+00 e 0 0 0 0 822 14.655 7.021 0.741 1 U 5.030000E+06 0.000000E+00 e 0 0 0 0 823 14.684 3.520 0.745 1 U 1.000000E+07 0.000000E+00 e 0 0 0 0 824 14.662 1.428 0.745 1 U 9.260000E+06 0.000000E+00 e 0 0 0 0 825 14.677 0.999 0.746 1 U 1.960000E+07 0.000000E+00 e 0 0 0 0 826 17.940 3.899 0.975 1 U 3.500000E+06 0.000000E+00 e 0 0 0 0 827 17.954 2.795 0.973 1 U 2.150000E+06 0.000000E+00 e 0 0 0 0 828 17.896 7.860 0.974 1 U 2.680000E+06 0.000000E+00 e 0 0 0 0 829 17.861 7.395 0.974 1 U 6.050000E+06 0.000000E+00 e 0 0 0 0 830 17.922 1.989 0.977 1 U 4.660000E+06 0.000000E+00 e 0 0 0 0 831 17.806 8.012 0.975 1 U 3.840000E+06 0.000000E+00 e 0 0 0 0 832 17.792 3.551 0.972 1 U 3.520000E+06 0.000000E+00 e 0 0 0 0 833 62.538 2.823 3.615 1 U 2.360000E+06 0.000000E+00 e 0 0 0 0 834 62.452 7.810 3.639 1 U 2.860000E+06 0.000000E+00 e 0 0 0 0 835 39.024 2.600 2.887 1 U 2.140000E+06 0.000000E+00 e 0 0 0 0 836 138.576 7.795 7.796 1 U 3.770000E+07 0.000000E+00 e 0 0 0 0 837 58.715 2.621 3.857 1 U 5.340000E+06 0.000000E+00 e 0 0 0 0 838 58.730 1.653 3.853 1 U 3.550000E+06 0.000000E+00 e 0 0 0 0 839 58.701 7.821 3.850 1 U 4.240000E+06 0.000000E+00 e 0 0 0 0 840 58.528 1.655 3.838 1 U 3.670000E+06 0.000000E+00 e 0 0 0 0 841 58.492 0.793 3.854 1 U 2.080000E+06 0.000000E+00 e 0 0 0 0 842 30.030 2.630 2.359 1 U 2.330000E+06 0.000000E+00 e 0 0 0 0 843 30.044 1.963 2.393 1 U 3.080000E+06 0.000000E+00 e 0 0 0 0 844 30.091 7.652 2.167 1 U 2.160000E+06 0.000000E+00 e 0 0 0 0 845 30.036 0.994 2.144 1 U 2.000000E+06 0.000000E+00 e 0 0 0 0 846 29.873 1.525 2.144 1 U 2.430000E+06 0.000000E+00 e 0 0 0 0 847 29.848 1.528 2.125 1 U 2.220000E+06 0.000000E+00 e 0 0 0 0 848 35.079 3.842 2.661 1 U 2.100000E+06 0.000000E+00 e 0 0 0 0 849 34.992 3.856 2.621 1 U 2.690000E+06 0.000000E+00 e 0 0 0 0 850 34.946 7.799 2.610 1 U 2.620000E+06 0.000000E+00 e 0 0 0 0 851 68.618 1.182 4.215 1 U 3.050000E+06 0.000000E+00 e 0 0 0 0 852 58.238 8.079 3.358 1 U 2.300000E+06 0.000000E+00 e 0 0 0 0 853 58.149 1.529 3.373 1 U 2.750000E+06 0.000000E+00 e 0 0 0 0 854 58.153 -0.545 3.372 1 U 6.090000E+06 0.000000E+00 e 0 0 0 0 855 38.889 1.244 0.558 1 U 2.690000E+06 0.000000E+00 e 0 0 0 0 856 38.880 0.560 0.559 1 U 7.110000E+08 0.000000E+00 e 0 0 0 0 857 23.087 8.096 -0.552 1 U 2.620000E+06 0.000000E+00 e 0 0 0 0 858 23.051 7.499 -0.548 1 U 2.630000E+06 0.000000E+00 e 0 0 0 0 859 23.037 7.224 -0.546 1 U 3.710000E+06 0.000000E+00 e 0 0 0 0 860 23.025 6.627 -0.548 1 U 6.070000E+06 0.000000E+00 e 0 0 0 0 861 23.036 6.229 -0.549 1 U 7.020000E+06 0.000000E+00 e 0 0 0 0 862 23.046 3.366 -0.547 1 U 1.160000E+07 0.000000E+00 e 0 0 0 0 863 23.028 -0.046 -0.550 1 U 1.440000E+07 0.000000E+00 e 0 0 0 0 864 23.037 -0.546 -0.548 1 U 1.760000E+08 0.000000E+00 e 0 0 0 0 865 22.938 1.530 -0.549 1 U 2.890000E+06 0.000000E+00 e 0 0 0 0 866 25.833 8.091 -0.045 1 U 2.060000E+06 0.000000E+00 e 0 0 0 0 867 25.813 -0.547 -0.054 1 U 6.090000E+06 0.000000E+00 e 0 0 0 0 868 25.731 1.442 -0.048 1 U 3.190000E+06 0.000000E+00 e 0 0 0 0 869 25.701 -0.543 -0.052 1 U 6.350000E+06 0.000000E+00 e 0 0 0 0 870 57.980 3.426 3.825 1 U 2.310000E+06 0.000000E+00 e 0 0 0 0 871 57.964 0.980 3.819 1 U 5.720000E+06 0.000000E+00 e 0 0 0 0 872 57.915 7.834 3.816 1 U 4.010000E+06 0.000000E+00 e 0 0 0 0 873 57.740 1.620 3.818 1 U 3.100000E+06 0.000000E+00 e 0 0 0 0 874 41.920 7.832 1.650 1 U 6.820000E+06 0.000000E+00 e 0 0 0 0 875 41.937 3.833 1.321 1 U 4.000000E+06 0.000000E+00 e 0 0 0 0 876 41.930 1.632 1.322 1 U 1.130000E+07 0.000000E+00 e 0 0 0 0 877 41.945 0.999 1.315 1 U 5.150000E+06 0.000000E+00 e 0 0 0 0 878 41.887 7.834 1.321 1 U 5.240000E+06 0.000000E+00 e 0 0 0 0 879 24.467 7.808 1.009 1 U 4.010000E+06 0.000000E+00 e 0 0 0 0 880 24.430 2.774 1.013 1 U 2.670000E+06 0.000000E+00 e 0 0 0 0 881 24.426 1.683 1.010 1 U 1.100000E+07 0.000000E+00 e 0 0 0 0 882 24.334 8.033 1.018 1 U 2.010000E+06 0.000000E+00 e 0 0 0 0 883 24.305 4.163 1.014 1 U 2.080000E+07 0.000000E+00 e 0 0 0 0 884 24.340 2.417 1.013 1 U 7.220000E+06 0.000000E+00 e 0 0 0 0 885 24.288 8.502 1.008 1 U 2.460000E+06 0.000000E+00 e 0 0 0 0 886 24.280 2.571 1.013 1 U 6.810000E+06 0.000000E+00 e 0 0 0 0 887 24.274 1.884 1.014 1 U 1.020000E+07 0.000000E+00 e 0 0 0 0 888 24.237 1.560 1.000 1 U 9.650000E+06 0.000000E+00 e 0 0 0 0 889 55.001 2.155 4.140 1 U 3.540000E+06 0.000000E+00 e 0 0 0 0 890 54.911 7.828 4.146 1 U 5.750000E+06 0.000000E+00 e 0 0 0 0 891 54.943 2.152 4.159 1 U 3.180000E+06 0.000000E+00 e 0 0 0 0 892 54.819 1.983 4.155 1 U 2.140000E+06 0.000000E+00 e 0 0 0 0 893 54.826 1.506 4.149 1 U 1.300000E+07 0.000000E+00 e 0 0 0 0 894 17.739 7.830 1.506 1 U 2.070000E+07 0.000000E+00 e 0 0 0 0 895 17.754 4.150 1.505 1 U 2.060000E+07 0.000000E+00 e 0 0 0 0 896 17.783 2.054 1.509 1 U 2.430000E+06 0.000000E+00 e 0 0 0 0 897 17.657 7.970 1.512 1 U 1.180000E+07 0.000000E+00 e 0 0 0 0 898 17.668 3.882 1.513 1 U 1.100000E+07 0.000000E+00 e 0 0 0 0 899 17.725 1.507 1.506 1 U 2.600000E+08 0.000000E+00 e 0 0 0 0 900 17.703 0.979 1.506 1 U 1.910000E+07 0.000000E+00 e 0 0 0 0 901 17.733 0.810 1.502 1 U 5.270000E+06 0.000000E+00 e 0 0 0 0 902 17.628 1.928 1.508 1 U 3.250000E+06 0.000000E+00 e 0 0 0 0 903 55.644 1.901 3.896 1 U 1.970000E+06 0.000000E+00 e 0 0 0 0 904 55.566 1.944 3.873 1 U 2.830000E+06 0.000000E+00 e 0 0 0 0 905 55.601 1.010 3.875 1 U 3.500000E+06 0.000000E+00 e 0 0 0 0 906 55.466 7.962 3.866 1 U 3.300000E+06 0.000000E+00 e 0 0 0 0 907 55.478 1.537 3.891 1 U 6.070000E+06 0.000000E+00 e 0 0 0 0 908 55.468 1.541 3.873 1 U 6.920000E+06 0.000000E+00 e 0 0 0 0 909 55.389 1.013 3.887 1 U 3.650000E+06 0.000000E+00 e 0 0 0 0 910 17.498 7.967 1.535 1 U 1.290000E+07 0.000000E+00 e 0 0 0 0 911 17.483 7.241 1.552 1 U 2.310000E+06 0.000000E+00 e 0 0 0 0 912 17.501 3.879 1.534 1 U 1.170000E+07 0.000000E+00 e 0 0 0 0 913 17.410 8.467 1.537 1 U 5.400000E+06 0.000000E+00 e 0 0 0 0 914 17.436 7.260 1.531 1 U 3.940000E+06 0.000000E+00 e 0 0 0 0 915 17.437 3.380 1.533 1 U 4.320000E+06 0.000000E+00 e 0 0 0 0 916 17.451 2.182 1.539 1 U 6.500000E+06 0.000000E+00 e 0 0 0 0 917 17.405 1.946 1.540 1 U 2.510000E+06 0.000000E+00 e 0 0 0 0 918 17.389 0.658 1.539 1 U 9.910000E+06 0.000000E+00 e 0 0 0 0 919 120.145 7.097 7.097 1 U 5.270000E+08 0.000000E+00 e 0 0 0 0 920 120.186 6.919 7.096 1 U 1.230000E+07 0.000000E+00 e 0 0 0 0 921 59.573 7.811 3.770 1 U 2.560000E+06 0.000000E+00 e 0 0 0 0 922 59.596 1.899 3.790 1 U 2.430000E+06 0.000000E+00 e 0 0 0 0 923 59.515 4.164 3.756 1 U 2.280000E+06 0.000000E+00 e 0 0 0 0 924 59.481 2.141 3.767 1 U 7.820000E+06 0.000000E+00 e 0 0 0 0 925 59.521 2.043 3.769 1 U 7.010000E+06 0.000000E+00 e 0 0 0 0 926 59.454 2.601 3.761 1 U 2.290000E+06 0.000000E+00 e 0 0 0 0 927 59.325 4.157 3.761 1 U 2.140000E+06 0.000000E+00 e 0 0 0 0 928 36.957 8.746 2.585 1 U 3.450000E+06 0.000000E+00 e 0 0 0 0 929 36.816 8.747 2.600 1 U 3.400000E+06 0.000000E+00 e 0 0 0 0 930 36.837 2.593 2.596 1 U 3.910000E+07 0.000000E+00 e 0 0 0 0 931 36.784 2.025 2.594 1 U 7.280000E+06 0.000000E+00 e 0 0 0 0 932 36.741 3.767 2.594 1 U 3.470000E+06 0.000000E+00 e 0 0 0 0 933 59.034 1.790 3.972 1 U 9.860000E+06 0.000000E+00 e 0 0 0 0 934 30.601 1.936 1.931 1 U 1.590000E+07 0.000000E+00 e 0 0 0 0 935 44.105 1.009 3.097 1 U 2.540000E+06 0.000000E+00 e 0 0 0 0 936 43.973 1.927 3.085 1 U 7.060000E+06 0.000000E+00 e 0 0 0 0 937 27.939 2.119 1.698 1 U 2.110000E+06 0.000000E+00 e 0 0 0 0 938 56.930 1.712 4.148 1 U 1.040000E+07 0.000000E+00 e 0 0 0 0 939 56.900 1.887 4.155 1 U 7.550000E+06 0.000000E+00 e 0 0 0 0 940 56.918 1.020 4.157 1 U 1.010000E+07 0.000000E+00 e 0 0 0 0 941 42.023 4.158 1.711 1 U 4.930000E+06 0.000000E+00 e 0 0 0 0 942 41.972 1.892 1.711 1 U 1.510000E+07 0.000000E+00 e 0 0 0 0 943 42.016 1.695 1.707 1 U 2.920000E+07 0.000000E+00 e 0 0 0 0 944 41.994 1.309 1.716 1 U 3.200000E+06 0.000000E+00 e 0 0 0 0 945 42.065 4.169 1.894 1 U 3.960000E+06 0.000000E+00 e 0 0 0 0 946 42.037 1.711 1.905 1 U 1.200000E+07 0.000000E+00 e 0 0 0 0 947 41.982 1.045 1.907 1 U 5.000000E+06 0.000000E+00 e 0 0 0 0 948 41.868 1.046 1.885 1 U 4.430000E+06 0.000000E+00 e 0 0 0 0 949 25.645 8.500 1.070 1 U 2.850000E+06 0.000000E+00 e 0 0 0 0 950 25.633 2.550 1.070 1 U 3.540000E+06 0.000000E+00 e 0 0 0 0 951 25.628 2.199 1.070 1 U 3.370000E+06 0.000000E+00 e 0 0 0 0 952 25.626 2.120 1.070 1 U 3.340000E+06 0.000000E+00 e 0 0 0 0 953 25.636 1.714 1.072 1 U 6.050000E+06 0.000000E+00 e 0 0 0 0 954 25.551 4.165 1.067 1 U 1.420000E+07 0.000000E+00 e 0 0 0 0 955 25.541 1.503 1.069 1 U 4.850000E+06 0.000000E+00 e 0 0 0 0 956 25.449 2.421 1.071 1 U 6.080000E+06 0.000000E+00 e 0 0 0 0 957 25.505 2.201 1.070 1 U 3.350000E+06 0.000000E+00 e 0 0 0 0 958 25.510 2.118 1.070 1 U 3.310000E+06 0.000000E+00 e 0 0 0 0 959 24.726 7.000 0.993 1 U 3.290000E+06 0.000000E+00 e 0 0 0 0 960 24.545 1.008 1.008 1 U 7.140000E+08 0.000000E+00 e 0 0 0 0 961 26.960 2.221 1.861 1 U 2.470000E+06 0.000000E+00 e 0 0 0 0 962 26.860 7.805 1.842 1 U 2.320000E+06 0.000000E+00 e 0 0 0 0 963 26.743 4.178 1.842 1 U 2.270000E+06 0.000000E+00 e 0 0 0 0 964 26.784 2.181 1.862 1 U 2.460000E+06 0.000000E+00 e 0 0 0 0 965 26.830 1.838 1.841 1 U 4.050000E+07 0.000000E+00 e 0 0 0 0 966 56.121 7.443 4.094 1 U 4.540000E+06 0.000000E+00 e 0 0 0 0 967 55.880 2.143 4.095 1 U 1.190000E+07 0.000000E+00 e 0 0 0 0 968 55.853 1.878 4.098 1 U 6.860000E+06 0.000000E+00 e 0 0 0 0 969 28.381 1.885 2.115 1 U 9.270000E+06 0.000000E+00 e 0 0 0 0 970 28.305 1.881 2.134 1 U 9.200000E+06 0.000000E+00 e 0 0 0 0 971 28.453 4.075 1.882 1 U 2.560000E+06 0.000000E+00 e 0 0 0 0 972 28.376 2.145 1.878 1 U 1.450000E+07 0.000000E+00 e 0 0 0 0 973 33.321 7.700 2.195 1 U 2.860000E+06 0.000000E+00 e 0 0 0 0 974 33.336 7.019 2.173 1 U 2.390000E+06 0.000000E+00 e 0 0 0 0 975 33.272 4.101 2.203 1 U 2.650000E+06 0.000000E+00 e 0 0 0 0 976 33.231 2.132 2.196 1 U 3.560000E+07 0.000000E+00 e 0 0 0 0 977 33.170 7.030 2.196 1 U 2.380000E+06 0.000000E+00 e 0 0 0 0 978 33.121 1.889 2.203 1 U 9.230000E+06 0.000000E+00 e 0 0 0 0 979 33.247 7.706 2.106 1 U 4.210000E+06 0.000000E+00 e 0 0 0 0 980 33.241 7.024 2.102 1 U 3.710000E+06 0.000000E+00 e 0 0 0 0 981 33.223 4.085 2.114 1 U 2.990000E+06 0.000000E+00 e 0 0 0 0 982 33.291 4.107 2.094 1 U 3.680000E+06 0.000000E+00 e 0 0 0 0 983 33.288 1.035 2.088 1 U 2.000000E+06 0.000000E+00 e 0 0 0 0 984 33.166 7.020 2.122 1 U 3.200000E+06 0.000000E+00 e 0 0 0 0 985 52.187 7.449 4.358 1 U 1.460000E+07 0.000000E+00 e 0 0 0 0 986 56.975 7.448 4.115 1 U 7.900000E+06 0.000000E+00 e 0 0 0 0 987 43.147 7.449 1.681 1 U 5.190000E+06 0.000000E+00 e 0 0 0 0 988 43.210 4.118 1.679 1 U 4.640000E+06 0.000000E+00 e 0 0 0 0 989 43.164 7.452 1.568 1 U 4.110000E+06 0.000000E+00 e 0 0 0 0 990 43.150 1.680 1.559 1 U 6.000000E+07 0.000000E+00 e 0 0 0 0 991 43.117 4.124 1.560 1 U 4.940000E+06 0.000000E+00 e 0 0 0 0 992 23.225 7.450 0.871 1 U 3.360000E+06 0.000000E+00 e 0 0 0 0 993 23.240 4.115 0.869 1 U 2.630000E+07 0.000000E+00 e 0 0 0 0 994 23.208 1.543 0.869 1 U 1.150000E+07 0.000000E+00 e 0 0 0 0 995 23.223 0.868 0.868 1 U 1.660000E+09 0.000000E+00 e 0 0 0 0 996 23.142 1.753 0.868 1 U 1.650000E+07 0.000000E+00 e 0 0 0 0 997 117.889 6.757 6.757 1 U 1.240000E+08 0.000000E+00 e 0 0 0 0 998 117.902 4.776 6.757 1 U 7.520000E+06 0.000000E+00 e 0 0 0 0 999 117.851 0.978 6.749 1 U 4.280000E+06 0.000000E+00 e 0 0 0 0 1000 119.673 7.095 7.061 1 U 8.800000E+06 0.000000E+00 e 0 0 0 0 1001 131.607 7.501 7.505 1 U 4.970000E+06 0.000000E+00 e 0 0 0 0 1002 53.375 2.834 4.742 1 U 8.560000E+06 0.000000E+00 e 0 0 0 0 ; loop_ _Spectral_dim.ID _Spectral_dim.Axis_code _Spectral_dim.Spectrometer_frequency _Spectral_dim.Atom_type _Spectral_dim.Atom_isotope_number _Spectral_dim.Spectral_region _Spectral_dim.Magnetization_linkage_ID _Spectral_dim.Under_sampling_type _Spectral_dim.Sweep_width _Spectral_dim.Sweep_width_units _Spectral_dim.Value_first_point _Spectral_dim.Absolute_peak_positions _Spectral_dim.Acquisition _Spectral_dim.Center_frequency_offset _Spectral_dim.Encoding_code _Spectral_dim.Encoded_reduced_dimension_ID _Spectral_dim.Entry_ID _Spectral_dim.Spectral_peak_list_ID 1 . . C 13 C . aliased 3015.682 Hz . . . 67.000 . . 30765 1 2 . . H 1 H . . 7978.723 Hz . . . 4.776 . . 30765 1 3 . . H 1 H . . 5995.204 Hz . . . 4.776 . . 30765 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 30765 _Spectral_peak_list.ID 2 _Spectral_peak_list.Name . _Spectral_peak_list.Sample_ID 2 _Spectral_peak_list.Sample_label $sample_2 _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 22 _Spectral_peak_list.Experiment_name '3D 1H-13C NOESY aliphatic' _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 ; # Number of dimensions 3 # Number of peaks 1045 #FORMAT xeasy3D #INAME 1 C #INAME 2 H #INAME 3 HC #SPECTRUM C13NOESY C H HC 1 23.232 3.136 3.124 1 U 2.050000E+06 0.000000E+00 e 0 0 0 0 2 23.210 3.145 3.128 1 U 2.020000E+06 0.000000E+00 e 0 0 0 0 3 56.268 2.292 4.415 1 U 4.940000E+06 0.000000E+00 e 0 0 0 0 4 56.329 1.936 4.415 1 U 4.510000E+06 0.000000E+00 e 0 0 0 0 5 56.267 1.745 4.398 1 U 1.680000E+06 0.000000E+00 e 0 0 0 0 6 56.124 1.756 4.397 1 U 1.720000E+06 0.000000E+00 e 0 0 0 0 7 33.090 2.459 2.044 1 U 1.000000E+07 0.000000E+00 e 0 0 0 0 8 33.071 4.445 2.042 1 U 3.440000E+06 0.000000E+00 e 0 0 0 0 9 33.036 2.040 2.042 1 U 4.580000E+08 0.000000E+00 e 0 0 0 0 10 32.926 1.777 2.040 1 U 6.690000E+06 0.000000E+00 e 0 0 0 0 11 32.914 1.673 2.048 1 U 3.330000E+06 0.000000E+00 e 0 0 0 0 12 33.255 4.443 1.913 1 U 1.900000E+06 0.000000E+00 e 0 0 0 0 13 32.985 2.048 1.904 1 U 4.560000E+07 0.000000E+00 e 0 0 0 0 14 32.922 1.909 1.911 1 U 4.990000E+08 0.000000E+00 e 0 0 0 0 15 32.026 2.266 2.498 1 U 9.730000E+06 0.000000E+00 e 0 0 0 0 16 31.839 2.494 2.502 1 U 5.440000E+08 0.000000E+00 e 0 0 0 0 17 31.796 2.030 2.503 1 U 9.210000E+06 0.000000E+00 e 0 0 0 0 18 31.766 1.899 2.503 1 U 9.170000E+06 0.000000E+00 e 0 0 0 0 19 31.815 2.436 2.426 1 U 5.240000E+08 0.000000E+00 e 0 0 0 0 20 31.788 2.024 2.428 1 U 7.080000E+06 0.000000E+00 e 0 0 0 0 21 31.755 1.895 2.427 1 U 6.460000E+06 0.000000E+00 e 0 0 0 0 22 55.162 8.309 4.446 1 U 8.130000E+06 0.000000E+00 e 0 0 0 0 23 55.162 7.946 4.428 1 U 1.630000E+06 0.000000E+00 e 0 0 0 0 24 55.162 4.443 4.444 1 U 8.240000E+08 0.000000E+00 e 0 0 0 0 25 55.162 2.437 4.441 1 U 2.270000E+06 0.000000E+00 e 0 0 0 0 26 55.162 2.040 4.445 1 U 6.290000E+06 0.000000E+00 e 0 0 0 0 27 55.162 1.905 4.439 1 U 2.850000E+06 0.000000E+00 e 0 0 0 0 28 40.982 2.524 2.795 1 U 7.250000E+07 0.000000E+00 e 0 0 0 0 29 41.037 0.913 2.756 1 U 2.140000E+06 0.000000E+00 e 0 0 0 0 30 40.897 2.777 2.780 1 U 6.410000E+08 0.000000E+00 e 0 0 0 0 31 40.866 1.700 2.773 1 U 2.210000E+06 0.000000E+00 e 0 0 0 0 32 40.818 8.363 2.775 1 U 7.440000E+06 0.000000E+00 e 0 0 0 0 33 40.855 3.783 2.774 1 U 5.520000E+06 0.000000E+00 e 0 0 0 0 34 40.595 3.993 2.770 1 U 1.840000E+06 0.000000E+00 e 0 0 0 0 35 40.744 2.208 2.723 1 U 2.840000E+06 0.000000E+00 e 0 0 0 0 36 40.557 3.999 2.736 1 U 2.120000E+06 0.000000E+00 e 0 0 0 0 37 40.305 8.183 2.725 1 U 1.150000E+07 0.000000E+00 e 0 0 0 0 38 40.318 7.642 2.731 1 U 2.400000E+06 0.000000E+00 e 0 0 0 0 39 40.315 4.685 2.725 1 U 9.330000E+06 0.000000E+00 e 0 0 0 0 40 40.324 4.072 2.726 1 U 1.630000E+06 0.000000E+00 e 0 0 0 0 41 40.357 3.959 2.727 1 U 2.130000E+06 0.000000E+00 e 0 0 0 0 42 40.332 3.790 2.724 1 U 5.700000E+06 0.000000E+00 e 0 0 0 0 43 40.370 1.999 2.719 1 U 2.320000E+06 0.000000E+00 e 0 0 0 0 44 63.436 3.843 4.416 1 U 7.150000E+06 0.000000E+00 e 0 0 0 0 45 63.370 2.293 4.411 1 U 3.020000E+07 0.000000E+00 e 0 0 0 0 46 63.361 1.943 4.413 1 U 1.600000E+07 0.000000E+00 e 0 0 0 0 47 32.436 1.774 2.304 1 U 3.290000E+06 0.000000E+00 e 0 0 0 0 48 32.245 1.934 2.299 1 U 1.280000E+08 0.000000E+00 e 0 0 0 0 49 32.146 8.390 2.295 1 U 2.460000E+06 0.000000E+00 e 0 0 0 0 50 32.166 3.812 2.294 1 U 4.150000E+06 0.000000E+00 e 0 0 0 0 51 32.136 4.411 2.293 1 U 2.040000E+07 0.000000E+00 e 0 0 0 0 52 32.127 2.295 2.295 1 U 9.990000E+08 0.000000E+00 e 0 0 0 0 53 32.131 1.416 2.289 1 U 1.700000E+06 0.000000E+00 e 0 0 0 0 54 32.500 2.454 1.909 1 U 3.610000E+06 0.000000E+00 e 0 0 0 0 55 32.148 4.412 1.932 1 U 9.620000E+06 0.000000E+00 e 0 0 0 0 56 32.222 2.293 1.929 1 U 1.220000E+08 0.000000E+00 e 0 0 0 0 57 32.231 2.067 1.925 1 U 3.310000E+07 0.000000E+00 e 0 0 0 0 58 32.146 1.935 1.936 1 U 8.340000E+08 0.000000E+00 e 0 0 0 0 59 32.104 8.389 1.935 1 U 2.670000E+06 0.000000E+00 e 0 0 0 0 60 32.120 3.741 1.925 1 U 4.950000E+06 0.000000E+00 e 0 0 0 0 61 32.085 0.939 1.933 1 U 1.700000E+06 0.000000E+00 e 0 0 0 0 62 32.035 0.850 1.938 1 U 1.660000E+06 0.000000E+00 e 0 0 0 0 63 50.721 4.440 3.866 1 U 4.020000E+06 0.000000E+00 e 0 0 0 0 64 50.762 4.346 3.863 1 U 2.660000E+06 0.000000E+00 e 0 0 0 0 65 50.742 3.852 3.864 1 U 6.010000E+08 0.000000E+00 e 0 0 0 0 66 50.791 2.297 3.862 1 U 2.880000E+06 0.000000E+00 e 0 0 0 0 67 50.655 2.976 3.873 1 U 2.280000E+06 0.000000E+00 e 0 0 0 0 68 50.692 2.775 3.863 1 U 2.210000E+06 0.000000E+00 e 0 0 0 0 69 50.971 4.603 3.802 1 U 2.750000E+07 0.000000E+00 e 0 0 0 0 70 50.895 4.254 3.798 1 U 5.660000E+06 0.000000E+00 e 0 0 0 0 71 50.848 8.386 3.793 1 U 2.580000E+06 0.000000E+00 e 0 0 0 0 72 50.860 4.447 3.797 1 U 4.110000E+06 0.000000E+00 e 0 0 0 0 73 50.877 4.373 3.798 1 U 5.100000E+06 0.000000E+00 e 0 0 0 0 74 50.854 3.800 3.797 1 U 1.020000E+09 0.000000E+00 e 0 0 0 0 75 50.873 2.290 3.800 1 U 3.780000E+06 0.000000E+00 e 0 0 0 0 76 50.759 2.788 3.790 1 U 3.300000E+06 0.000000E+00 e 0 0 0 0 77 50.700 2.507 3.791 1 U 1.690000E+06 0.000000E+00 e 0 0 0 0 78 27.256 3.790 1.812 1 U 1.640000E+06 0.000000E+00 e 0 0 0 0 79 27.057 1.047 1.833 1 U 8.060000E+06 0.000000E+00 e 0 0 0 0 80 27.171 2.003 1.641 1 U 1.020000E+07 0.000000E+00 e 0 0 0 0 81 27.168 8.384 1.638 1 U 3.710000E+06 0.000000E+00 e 0 0 0 0 82 27.099 1.898 1.639 1 U 9.610000E+06 0.000000E+00 e 0 0 0 0 83 27.079 1.638 1.639 1 U 7.470000E+08 0.000000E+00 e 0 0 0 0 84 26.986 8.130 1.638 1 U 6.370000E+06 0.000000E+00 e 0 0 0 0 85 27.024 4.279 1.637 1 U 4.160000E+06 0.000000E+00 e 0 0 0 0 86 27.054 1.424 1.639 1 U 2.020000E+06 0.000000E+00 e 0 0 0 0 87 27.063 0.863 1.639 1 U 1.890000E+07 0.000000E+00 e 0 0 0 0 88 26.968 1.381 1.638 1 U 4.260000E+06 0.000000E+00 e 0 0 0 0 89 55.162 8.386 4.350 1 U 5.440000E+06 0.000000E+00 e 0 0 0 0 90 55.285 2.745 4.348 1 U 2.200000E+06 0.000000E+00 e 0 0 0 0 91 55.224 1.701 4.346 1 U 4.140000E+06 0.000000E+00 e 0 0 0 0 92 55.162 1.587 4.349 1 U 1.320000E+07 0.000000E+00 e 0 0 0 0 93 55.162 0.872 4.348 1 U 1.180000E+07 0.000000E+00 e 0 0 0 0 94 42.192 1.969 1.702 1 U 5.770000E+06 0.000000E+00 e 0 0 0 0 95 42.084 2.190 1.731 1 U 2.160000E+06 0.000000E+00 e 0 0 0 0 96 42.138 1.974 1.709 1 U 5.810000E+06 0.000000E+00 e 0 0 0 0 97 42.151 1.252 1.723 1 U 1.590000E+06 0.000000E+00 e 0 0 0 0 98 42.039 8.389 1.723 1 U 6.640000E+06 0.000000E+00 e 0 0 0 0 99 42.058 7.984 1.717 1 U 1.700000E+06 0.000000E+00 e 0 0 0 0 100 42.041 1.719 1.721 1 U 5.090000E+08 0.000000E+00 e 0 0 0 0 101 41.994 1.576 1.714 1 U 1.300000E+08 0.000000E+00 e 0 0 0 0 102 42.028 1.053 1.713 1 U 1.780000E+06 0.000000E+00 e 0 0 0 0 103 41.914 8.127 1.703 1 U 9.370000E+06 0.000000E+00 e 0 0 0 0 104 41.971 4.281 1.702 1 U 6.710000E+06 0.000000E+00 e 0 0 0 0 105 41.941 2.290 1.714 1 U 1.650000E+06 0.000000E+00 e 0 0 0 0 106 41.832 0.909 1.708 1 U 1.910000E+07 0.000000E+00 e 0 0 0 0 107 42.036 1.701 1.576 1 U 1.260000E+08 0.000000E+00 e 0 0 0 0 108 41.941 4.279 1.560 1 U 9.790000E+06 0.000000E+00 e 0 0 0 0 109 41.875 8.134 1.559 1 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0.918 1 U 1.830000E+06 0.000000E+00 e 0 0 0 0 126 23.514 8.087 0.847 1 U 2.490000E+06 0.000000E+00 e 0 0 0 0 127 23.432 4.029 0.844 1 U 1.400000E+06 0.000000E+00 e 0 0 0 0 128 23.472 2.151 0.848 1 U 1.400000E+06 0.000000E+00 e 0 0 0 0 129 23.439 2.052 0.858 1 U 2.450000E+06 0.000000E+00 e 0 0 0 0 130 23.364 4.272 0.845 1 U 1.940000E+07 0.000000E+00 e 0 0 0 0 131 23.335 3.902 0.847 1 U 1.410000E+06 0.000000E+00 e 0 0 0 0 132 23.333 3.818 0.844 1 U 1.880000E+06 0.000000E+00 e 0 0 0 0 133 23.324 2.797 0.864 1 U 2.670000E+06 0.000000E+00 e 0 0 0 0 134 23.352 1.964 0.866 1 U 4.140000E+06 0.000000E+00 e 0 0 0 0 135 23.370 1.632 0.849 1 U 2.900000E+07 0.000000E+00 e 0 0 0 0 136 23.316 0.866 0.868 1 U 3.760000E+09 0.000000E+00 e 0 0 0 0 137 27.394 0.928 2.030 1 U 2.460000E+06 0.000000E+00 e 0 0 0 0 138 27.298 2.286 2.026 1 U 2.090000E+07 0.000000E+00 e 0 0 0 0 139 27.325 1.563 2.030 1 U 4.370000E+06 0.000000E+00 e 0 0 0 0 140 27.309 1.457 2.030 1 U 3.780000E+06 0.000000E+00 e 0 0 0 0 141 27.314 1.353 2.035 1 U 2.430000E+06 0.000000E+00 e 0 0 0 0 142 27.305 0.844 2.032 1 U 2.170000E+06 0.000000E+00 e 0 0 0 0 143 27.245 8.396 2.033 1 U 1.650000E+06 0.000000E+00 e 0 0 0 0 144 27.244 1.661 2.032 1 U 9.930000E+06 0.000000E+00 e 0 0 0 0 145 59.534 7.980 4.604 1 U 4.900000E+06 0.000000E+00 e 0 0 0 0 146 59.538 4.219 4.603 1 U 1.010000E+07 0.000000E+00 e 0 0 0 0 147 59.557 3.793 4.603 1 U 2.830000E+07 0.000000E+00 e 0 0 0 0 148 59.440 2.006 4.604 1 U 1.370000E+06 0.000000E+00 e 0 0 0 0 149 21.546 4.195 1.234 1 U 1.490000E+07 0.000000E+00 e 0 0 0 0 150 21.454 4.348 1.238 1 U 1.750000E+06 0.000000E+00 e 0 0 0 0 151 21.532 2.747 1.238 1 U 2.170000E+06 0.000000E+00 e 0 0 0 0 152 21.392 3.888 1.235 1 U 1.750000E+06 0.000000E+00 e 0 0 0 0 153 32.266 0.943 1.953 1 U 1.600000E+06 0.000000E+00 e 0 0 0 0 154 51.006 1.247 3.802 1 U 2.200000E+06 0.000000E+00 e 0 0 0 0 155 51.014 2.296 3.718 1 U 1.600000E+06 0.000000E+00 e 0 0 0 0 156 50.972 4.382 3.719 1 U 3.510000E+06 0.000000E+00 e 0 0 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7.510000E+08 0.000000E+00 e 0 0 0 0 189 41.369 2.171 2.649 1 U 2.020000E+06 0.000000E+00 e 0 0 0 0 190 41.403 1.828 2.652 1 U 1.960000E+06 0.000000E+00 e 0 0 0 0 191 41.324 8.405 2.651 1 U 5.500000E+06 0.000000E+00 e 0 0 0 0 192 52.947 1.688 4.332 1 U 1.720000E+06 0.000000E+00 e 0 0 0 0 193 52.876 1.426 4.335 1 U 2.430000E+07 0.000000E+00 e 0 0 0 0 194 52.811 2.621 4.330 1 U 1.580000E+06 0.000000E+00 e 0 0 0 0 195 52.503 8.318 4.323 1 U 1.030000E+07 0.000000E+00 e 0 0 0 0 196 52.496 0.876 4.346 1 U 1.850000E+06 0.000000E+00 e 0 0 0 0 197 52.492 0.889 4.324 1 U 2.070000E+06 0.000000E+00 e 0 0 0 0 198 52.413 7.911 4.322 1 U 1.870000E+06 0.000000E+00 e 0 0 0 0 199 52.453 2.010 4.322 1 U 1.710000E+06 0.000000E+00 e 0 0 0 0 200 19.198 4.585 1.436 1 U 2.200000E+06 0.000000E+00 e 0 0 0 0 201 19.229 4.074 1.429 1 U 1.440000E+06 0.000000E+00 e 0 0 0 0 202 19.261 3.768 1.425 1 U 1.620000E+06 0.000000E+00 e 0 0 0 0 203 19.119 8.314 1.432 1 U 1.090000E+07 0.000000E+00 e 0 0 0 0 204 19.131 4.335 1.432 1 U 3.120000E+07 0.000000E+00 e 0 0 0 0 205 19.194 3.894 1.432 1 U 2.780000E+06 0.000000E+00 e 0 0 0 0 206 19.128 3.051 1.429 1 U 1.360000E+06 0.000000E+00 e 0 0 0 0 207 19.133 1.429 1.431 1 U 2.680000E+09 0.000000E+00 e 0 0 0 0 208 19.091 4.184 1.429 1 U 3.020000E+06 0.000000E+00 e 0 0 0 0 209 59.260 2.116 4.364 1 U 2.590000E+06 0.000000E+00 e 0 0 0 0 210 59.243 0.940 4.364 1 U 2.540000E+06 0.000000E+00 e 0 0 0 0 211 59.213 8.339 4.364 1 U 8.560000E+06 0.000000E+00 e 0 0 0 0 212 59.165 4.367 4.365 1 U 4.630000E+08 0.000000E+00 e 0 0 0 0 213 59.094 3.907 4.365 1 U 2.340000E+07 0.000000E+00 e 0 0 0 0 214 64.003 1.970 3.922 1 U 1.370000E+06 0.000000E+00 e 0 0 0 0 215 63.783 8.343 3.924 1 U 5.860000E+06 0.000000E+00 e 0 0 0 0 216 63.778 8.070 3.915 1 U 3.210000E+06 0.000000E+00 e 0 0 0 0 217 63.809 4.399 3.921 1 U 3.670000E+07 0.000000E+00 e 0 0 0 0 218 63.655 1.455 3.915 1 U 1.490000E+06 0.000000E+00 e 0 0 0 0 219 63.741 0.944 3.922 1 U 4.070000E+06 0.000000E+00 e 0 0 0 0 220 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3.949 1 U 1.430000E+06 0.000000E+00 e 0 0 0 0 916 56.719 8.470 3.973 1 U 9.660000E+06 0.000000E+00 e 0 0 0 0 917 56.777 8.191 3.984 1 U 2.120000E+06 0.000000E+00 e 0 0 0 0 918 56.733 7.641 3.973 1 U 1.890000E+07 0.000000E+00 e 0 0 0 0 919 56.717 1.837 3.972 1 U 2.170000E+07 0.000000E+00 e 0 0 0 0 920 28.811 8.469 1.835 1 U 2.880000E+06 0.000000E+00 e 0 0 0 0 921 28.774 1.069 1.827 1 U 2.870000E+06 0.000000E+00 e 0 0 0 0 922 28.787 0.851 1.834 1 U 1.440000E+06 0.000000E+00 e 0 0 0 0 923 28.791 0.710 1.839 1 U 3.080000E+06 0.000000E+00 e 0 0 0 0 924 28.732 7.639 1.848 1 U 8.170000E+06 0.000000E+00 e 0 0 0 0 925 28.746 3.975 1.829 1 U 1.220000E+07 0.000000E+00 e 0 0 0 0 926 28.726 3.825 1.830 1 U 1.590000E+06 0.000000E+00 e 0 0 0 0 927 28.756 3.044 1.829 1 U 7.090000E+06 0.000000E+00 e 0 0 0 0 928 28.755 1.838 1.843 1 U 1.020000E+08 0.000000E+00 e 0 0 0 0 929 28.728 0.840 1.811 1 U 1.410000E+06 0.000000E+00 e 0 0 0 0 930 28.734 0.230 1.826 1 U 2.990000E+06 0.000000E+00 e 0 0 0 0 931 43.099 7.643 3.062 1 U 2.700000E+06 0.000000E+00 e 0 0 0 0 932 43.066 3.975 3.072 1 U 6.990000E+06 0.000000E+00 e 0 0 0 0 933 43.055 3.822 3.072 1 U 1.830000E+06 0.000000E+00 e 0 0 0 0 934 43.081 1.837 3.070 1 U 1.170000E+07 0.000000E+00 e 0 0 0 0 935 43.083 1.072 3.073 1 U 1.920000E+06 0.000000E+00 e 0 0 0 0 936 43.252 3.205 3.010 1 U 6.250000E+06 0.000000E+00 e 0 0 0 0 937 43.093 7.648 3.017 1 U 2.230000E+06 0.000000E+00 e 0 0 0 0 938 43.066 1.836 3.014 1 U 1.210000E+07 0.000000E+00 e 0 0 0 0 939 43.064 1.085 3.013 1 U 1.840000E+06 0.000000E+00 e 0 0 0 0 940 43.063 0.707 3.017 1 U 5.160000E+06 0.000000E+00 e 0 0 0 0 941 43.013 4.119 3.012 1 U 1.770000E+06 0.000000E+00 e 0 0 0 0 942 26.474 3.810 1.593 1 U 1.340000E+06 0.000000E+00 e 0 0 0 0 943 26.443 0.708 1.581 1 U 2.270000E+06 0.000000E+00 e 0 0 0 0 944 26.404 8.448 1.585 1 U 1.440000E+06 0.000000E+00 e 0 0 0 0 945 26.353 7.638 1.587 1 U 4.910000E+06 0.000000E+00 e 0 0 0 0 946 26.369 3.976 1.585 1 U 5.890000E+06 0.000000E+00 e 0 0 0 0 947 26.375 3.039 1.588 1 U 1.120000E+07 0.000000E+00 e 0 0 0 0 948 26.376 1.835 1.586 1 U 1.740000E+07 0.000000E+00 e 0 0 0 0 949 26.494 7.121 1.518 1 U 1.360000E+06 0.000000E+00 e 0 0 0 0 950 26.346 7.640 1.510 1 U 5.200000E+06 0.000000E+00 e 0 0 0 0 951 26.349 3.977 1.513 1 U 5.930000E+06 0.000000E+00 e 0 0 0 0 952 26.341 3.042 1.512 1 U 1.110000E+07 0.000000E+00 e 0 0 0 0 953 26.335 1.836 1.511 1 U 1.750000E+07 0.000000E+00 e 0 0 0 0 954 26.279 0.706 1.510 1 U 2.110000E+06 0.000000E+00 e 0 0 0 0 955 26.156 0.840 1.494 1 U 1.660000E+06 0.000000E+00 e 0 0 0 0 956 55.780 8.479 4.305 1 U 2.190000E+07 0.000000E+00 e 0 0 0 0 957 55.817 2.343 4.307 1 U 1.540000E+07 0.000000E+00 e 0 0 0 0 958 55.809 2.135 4.307 1 U 2.570000E+07 0.000000E+00 e 0 0 0 0 959 55.825 1.994 4.307 1 U 2.050000E+07 0.000000E+00 e 0 0 0 0 960 29.633 7.888 2.133 1 U 5.620000E+06 0.000000E+00 e 0 0 0 0 961 29.654 1.549 2.136 1 U 2.320000E+06 0.000000E+00 e 0 0 0 0 962 29.540 8.474 2.137 1 U 4.040000E+06 0.000000E+00 e 0 0 0 0 963 29.522 7.570 2.121 1 U 1.500000E+06 0.000000E+00 e 0 0 0 0 964 29.527 4.313 2.135 1 U 2.150000E+07 0.000000E+00 e 0 0 0 0 965 29.533 2.331 2.135 1 U 3.960000E+07 0.000000E+00 e 0 0 0 0 966 29.526 1.997 2.134 1 U 1.570000E+08 0.000000E+00 e 0 0 0 0 967 29.751 4.759 1.981 1 U 1.560000E+06 0.000000E+00 e 0 0 0 0 968 29.708 2.126 1.992 1 U 1.420000E+08 0.000000E+00 e 0 0 0 0 969 29.778 1.424 1.998 1 U 2.170000E+06 0.000000E+00 e 0 0 0 0 970 29.611 8.482 1.995 1 U 3.350000E+06 0.000000E+00 e 0 0 0 0 971 29.651 4.311 1.995 1 U 1.710000E+07 0.000000E+00 e 0 0 0 0 972 29.649 1.306 1.985 1 U 1.690000E+06 0.000000E+00 e 0 0 0 0 973 29.569 7.893 1.994 1 U 8.460000E+06 0.000000E+00 e 0 0 0 0 974 29.531 2.349 2.000 1 U 2.720000E+07 0.000000E+00 e 0 0 0 0 975 29.556 2.135 2.000 1 U 1.400000E+08 0.000000E+00 e 0 0 0 0 976 29.424 1.315 1.993 1 U 1.800000E+06 0.000000E+00 e 0 0 0 0 977 30.397 8.508 2.026 1 U 7.510000E+06 0.000000E+00 e 0 0 0 0 978 30.381 4.253 2.030 1 U 1.470000E+07 0.000000E+00 e 0 0 0 0 979 30.349 2.254 2.028 1 U 2.910000E+07 0.000000E+00 e 0 0 0 0 980 30.334 2.016 2.022 1 U 3.540000E+08 0.000000E+00 e 0 0 0 0 981 30.309 1.554 2.027 1 U 2.770000E+06 0.000000E+00 e 0 0 0 0 982 30.238 0.869 2.045 1 U 1.770000E+06 0.000000E+00 e 0 0 0 0 983 30.411 8.488 1.915 1 U 9.710000E+06 0.000000E+00 e 0 0 0 0 984 30.399 8.319 1.913 1 U 2.830000E+06 0.000000E+00 e 0 0 0 0 985 30.397 4.253 1.912 1 U 1.200000E+07 0.000000E+00 e 0 0 0 0 986 30.393 2.250 1.912 1 U 1.690000E+07 0.000000E+00 e 0 0 0 0 987 30.423 1.916 1.914 1 U 3.490000E+08 0.000000E+00 e 0 0 0 0 988 30.402 1.554 1.921 1 U 2.590000E+06 0.000000E+00 e 0 0 0 0 989 30.287 2.402 1.930 1 U 1.430000E+06 0.000000E+00 e 0 0 0 0 990 52.393 8.071 4.319 1 U 2.640000E+07 0.000000E+00 e 0 0 0 0 991 19.323 8.473 1.371 1 U 1.520000E+06 0.000000E+00 e 0 0 0 0 992 19.302 8.068 1.366 1 U 8.410000E+06 0.000000E+00 e 0 0 0 0 993 19.325 7.875 1.367 1 U 1.710000E+06 0.000000E+00 e 0 0 0 0 994 19.296 4.316 1.365 1 U 4.470000E+07 0.000000E+00 e 0 0 0 0 995 61.329 1.470 4.132 1 U 3.150000E+06 0.000000E+00 e 0 0 0 0 996 61.297 8.282 4.147 1 U 1.500000E+06 0.000000E+00 e 0 0 0 0 997 61.244 8.062 4.132 1 U 7.010000E+06 0.000000E+00 e 0 0 0 0 998 61.268 4.132 4.131 1 U 7.250000E+08 0.000000E+00 e 0 0 0 0 999 61.248 1.870 4.131 1 U 1.080000E+07 0.000000E+00 e 0 0 0 0 1000 61.254 1.183 4.132 1 U 4.980000E+06 0.000000E+00 e 0 0 0 0 1001 61.270 0.904 4.131 1 U 1.380000E+07 0.000000E+00 e 0 0 0 0 1002 38.562 8.059 1.874 1 U 9.130000E+06 0.000000E+00 e 0 0 0 0 1003 38.564 7.907 1.870 1 U 2.180000E+06 0.000000E+00 e 0 0 0 0 1004 38.581 4.132 1.870 1 U 8.530000E+06 0.000000E+00 e 0 0 0 0 1005 38.594 1.874 1.873 1 U 5.490000E+08 0.000000E+00 e 0 0 0 0 1006 38.563 1.493 1.875 1 U 1.010000E+07 0.000000E+00 e 0 0 0 0 1007 38.539 1.197 1.876 1 U 5.510000E+06 0.000000E+00 e 0 0 0 0 1008 38.571 0.901 1.876 1 U 2.590000E+07 0.000000E+00 e 0 0 0 0 1009 27.637 2.815 1.469 1 U 1.390000E+06 0.000000E+00 e 0 0 0 0 1010 27.204 2.030 1.500 1 U 4.890000E+06 0.000000E+00 e 0 0 0 0 1011 27.413 4.299 1.198 1 U 1.830000E+06 0.000000E+00 e 0 0 0 0 1012 27.375 1.478 1.186 1 U 6.890000E+07 0.000000E+00 e 0 0 0 0 1013 27.376 1.347 1.192 1 U 1.500000E+07 0.000000E+00 e 0 0 0 0 1014 27.280 8.066 1.186 1 U 4.560000E+06 0.000000E+00 e 0 0 0 0 1015 27.283 1.757 1.200 1 U 2.460000E+06 0.000000E+00 e 0 0 0 0 1016 27.318 1.191 1.191 1 U 5.780000E+08 0.000000E+00 e 0 0 0 0 1017 27.238 4.128 1.188 1 U 3.710000E+06 0.000000E+00 e 0 0 0 0 1018 119.956 7.130 7.131 1 U 3.090000E+08 0.000000E+00 e 0 0 0 0 1019 114.431 6.933 7.380 1 U 8.160000E+06 0.000000E+00 e 0 0 0 0 1020 114.306 7.638 7.383 1 U 1.610000E+06 0.000000E+00 e 0 0 0 0 1021 121.828 6.948 7.129 1 U 1.560000E+06 0.000000E+00 e 0 0 0 0 1022 121.678 7.611 7.136 1 U 2.550000E+06 0.000000E+00 e 0 0 0 0 1023 127.184 6.952 7.469 1 U 2.450000E+06 0.000000E+00 e 0 0 0 0 1024 127.184 4.333 7.466 1 U 3.740000E+06 0.000000E+00 e 0 0 0 0 1025 120.929 7.687 7.537 1 U 1.450000E+06 0.000000E+00 e 0 0 0 0 1026 120.941 7.394 7.533 1 U 1.590000E+06 0.000000E+00 e 0 0 0 0 1027 120.931 3.303 7.541 1 U 4.060000E+06 0.000000E+00 e 0 0 0 0 1028 124.563 4.207 7.055 1 U 1.500000E+06 0.000000E+00 e 0 0 0 0 1029 124.454 2.101 7.051 1 U 3.100000E+06 0.000000E+00 e 0 0 0 0 1030 124.474 1.463 7.057 1 U 3.590000E+06 0.000000E+00 e 0 0 0 0 1031 124.401 2.000 7.073 1 U 1.410000E+06 0.000000E+00 e 0 0 0 0 1032 124.284 4.165 7.044 1 U 1.380000E+06 0.000000E+00 e 0 0 0 0 1033 124.314 1.992 7.051 1 U 1.490000E+06 0.000000E+00 e 0 0 0 0 1034 113.705 7.049 7.591 1 U 4.880000E+06 0.000000E+00 e 0 0 0 0 1035 113.713 4.223 7.593 1 U 3.060000E+06 0.000000E+00 e 0 0 0 0 1036 113.726 2.587 7.593 1 U 7.050000E+06 0.000000E+00 e 0 0 0 0 1037 113.593 2.089 7.603 1 U 1.710000E+06 0.000000E+00 e 0 0 0 0 1038 120.954 3.291 6.634 1 U 1.360000E+06 0.000000E+00 e 0 0 0 0 1039 120.683 7.507 6.636 1 U 1.760000E+06 0.000000E+00 e 0 0 0 0 1040 120.688 3.118 6.635 1 U 1.790000E+06 0.000000E+00 e 0 0 0 0 1041 120.647 -0.538 6.635 1 U 2.670000E+06 0.000000E+00 e 0 0 0 0 1042 132.671 1.301 7.034 1 U 2.140000E+06 0.000000E+00 e 0 0 0 0 1043 118.277 4.208 6.777 1 U 2.080000E+06 0.000000E+00 e 0 0 0 0 1044 118.205 7.025 6.779 1 U 8.590000E+06 0.000000E+00 e 0 0 0 0 1045 118.115 0.729 6.771 1 U 2.150000E+06 0.000000E+00 e 0 0 0 0 ; loop_ _Spectral_dim.ID _Spectral_dim.Axis_code _Spectral_dim.Spectrometer_frequency _Spectral_dim.Atom_type _Spectral_dim.Atom_isotope_number _Spectral_dim.Spectral_region _Spectral_dim.Magnetization_linkage_ID _Spectral_dim.Under_sampling_type _Spectral_dim.Sweep_width _Spectral_dim.Sweep_width_units _Spectral_dim.Value_first_point _Spectral_dim.Absolute_peak_positions _Spectral_dim.Acquisition _Spectral_dim.Center_frequency_offset _Spectral_dim.Encoding_code _Spectral_dim.Encoded_reduced_dimension_ID _Spectral_dim.Entry_ID _Spectral_dim.Spectral_peak_list_ID 1 . . C 13 C-aliphatic . aliased 5133.470 Hz . . . 43.064 . . 30765 2 2 . . H 1 H . . 13586.957 Hz . . . 4.780 . . 30765 2 3 . . H 1 H . . 11235.955 Hz . . . 4.780 . . 30765 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 30765 _Spectral_peak_list.ID 3 _Spectral_peak_list.Name . _Spectral_peak_list.Sample_ID 2 _Spectral_peak_list.Sample_label $sample_2 _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 14 _Spectral_peak_list.Experiment_name '3D 1H-13C NOESY aromatic' _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 ; # Number of dimensions 3 # Number of peaks 500 #FORMAT xeasy3D #INAME 1 C #INAME 2 H #INAME 3 HC #SPECTRUM C13NOESY C H HC 1 32.960 2.042 2.042 1 U 7.400000E+07 0.000000E+00 e 0 0 0 0 2 32.896 2.487 1.919 1 U 3.160000E+06 0.000000E+00 e 0 0 0 0 3 32.938 2.043 1.917 1 U 2.730000E+07 0.000000E+00 e 0 0 0 0 4 32.009 2.006 2.498 1 U 3.800000E+06 0.000000E+00 e 0 0 0 0 5 31.886 1.920 2.505 1 U 4.930000E+06 0.000000E+00 e 0 0 0 0 6 31.806 2.487 2.507 1 U 9.750000E+07 0.000000E+00 e 0 0 0 0 7 31.793 2.447 2.431 1 U 9.610000E+07 0.000000E+00 e 0 0 0 0 8 31.845 2.025 2.439 1 U 3.740000E+06 0.000000E+00 e 0 0 0 0 9 31.743 1.918 2.435 1 U 4.760000E+06 0.000000E+00 e 0 0 0 0 10 55.109 8.309 4.447 1 U 5.490000E+06 0.000000E+00 e 0 0 0 0 11 55.147 4.448 4.447 1 U 4.720000E+08 0.000000E+00 e 0 0 0 0 12 55.189 1.921 4.442 1 U 3.560000E+06 0.000000E+00 e 0 0 0 0 13 55.045 2.039 4.449 1 U 4.230000E+06 0.000000E+00 e 0 0 0 0 14 40.888 8.349 2.781 1 U 2.420000E+06 0.000000E+00 e 0 0 0 0 15 40.949 2.775 2.777 1 U 1.670000E+08 0.000000E+00 e 0 0 0 0 16 40.740 2.526 2.780 1 U 3.070000E+07 0.000000E+00 e 0 0 0 0 17 40.724 4.539 2.779 1 U 4.570000E+06 0.000000E+00 e 0 0 0 0 18 40.773 8.336 2.749 1 U 1.960000E+06 0.000000E+00 e 0 0 0 0 19 40.365 4.680 2.747 1 U 2.230000E+06 0.000000E+00 e 0 0 0 0 20 63.344 8.399 4.415 1 U 2.520000E+07 0.000000E+00 e 0 0 0 0 21 63.292 2.295 4.414 1 U 3.080000E+07 0.000000E+00 e 0 0 0 0 22 63.255 1.943 4.417 1 U 1.860000E+07 0.000000E+00 e 0 0 0 0 23 32.165 1.936 2.292 1 U 5.100000E+07 0.000000E+00 e 0 0 0 0 24 32.079 2.297 2.294 1 U 1.750000E+08 0.000000E+00 e 0 0 0 0 25 32.118 2.444 1.929 1 U 2.000000E+06 0.000000E+00 e 0 0 0 0 26 32.219 1.664 1.920 1 U 1.960000E+06 0.000000E+00 e 0 0 0 0 27 32.037 2.297 1.928 1 U 4.590000E+07 0.000000E+00 e 0 0 0 0 28 32.087 1.935 1.934 1 U 1.420000E+08 0.000000E+00 e 0 0 0 0 29 50.692 3.852 3.864 1 U 2.800000E+08 0.000000E+00 e 0 0 0 0 30 50.932 4.608 3.805 1 U 1.500000E+07 0.000000E+00 e 0 0 0 0 31 50.895 2.292 3.801 1 U 2.510000E+06 0.000000E+00 e 0 0 0 0 32 50.799 3.802 3.797 1 U 4.720000E+08 0.000000E+00 e 0 0 0 0 33 50.805 2.286 3.793 1 U 2.520000E+06 0.000000E+00 e 0 0 0 0 34 50.808 2.016 3.797 1 U 1.490000E+07 0.000000E+00 e 0 0 0 0 35 50.698 4.442 3.784 1 U 2.210000E+06 0.000000E+00 e 0 0 0 0 36 50.699 2.794 3.792 1 U 2.290000E+06 0.000000E+00 e 0 0 0 0 37 27.244 0.908 1.834 1 U 2.260000E+06 0.000000E+00 e 0 0 0 0 38 27.130 1.827 1.835 1 U 1.210000E+07 0.000000E+00 e 0 0 0 0 39 27.037 3.237 1.849 1 U 2.160000E+06 0.000000E+00 e 0 0 0 0 40 27.283 0.890 1.645 1 U 2.820000E+06 0.000000E+00 e 0 0 0 0 41 26.990 1.638 1.645 1 U 7.810000E+07 0.000000E+00 e 0 0 0 0 42 55.464 1.728 4.346 1 U 2.450000E+06 0.000000E+00 e 0 0 0 0 43 55.249 8.387 4.352 1 U 3.550000E+06 0.000000E+00 e 0 0 0 0 44 55.232 0.877 4.351 1 U 7.780000E+06 0.000000E+00 e 0 0 0 0 45 55.143 1.588 4.352 1 U 7.610000E+06 0.000000E+00 e 0 0 0 0 46 42.258 1.967 1.707 1 U 2.790000E+06 0.000000E+00 e 0 0 0 0 47 42.177 8.375 1.716 1 U 2.340000E+06 0.000000E+00 e 0 0 0 0 48 42.042 1.717 1.721 1 U 1.270000E+08 0.000000E+00 e 0 0 0 0 49 42.087 1.580 1.724 1 U 8.600000E+07 0.000000E+00 e 0 0 0 0 50 41.980 0.893 1.712 1 U 5.880000E+06 0.000000E+00 e 0 0 0 0 51 41.925 8.116 1.711 1 U 3.240000E+06 0.000000E+00 e 0 0 0 0 52 41.968 4.284 1.707 1 U 3.540000E+06 0.000000E+00 e 0 0 0 0 53 41.947 8.104 1.555 1 U 2.520000E+06 0.000000E+00 e 0 0 0 0 54 41.889 0.902 1.568 1 U 5.920000E+06 0.000000E+00 e 0 0 0 0 55 41.819 4.268 1.561 1 U 2.740000E+06 0.000000E+00 e 0 0 0 0 56 41.754 2.043 1.575 1 U 4.050000E+06 0.000000E+00 e 0 0 0 0 57 24.910 0.929 0.935 1 U 3.350000E+08 0.000000E+00 e 0 0 0 0 58 24.787 1.698 0.941 1 U 2.680000E+06 0.000000E+00 e 0 0 0 0 59 24.750 1.678 0.919 1 U 2.440000E+06 0.000000E+00 e 0 0 0 0 60 24.826 1.613 0.932 1 U 3.000000E+06 0.000000E+00 e 0 0 0 0 61 23.485 1.639 0.847 1 U 3.060000E+06 0.000000E+00 e 0 0 0 0 62 23.364 0.862 0.863 1 U 2.710000E+08 0.000000E+00 e 0 0 0 0 63 27.118 3.813 2.034 1 U 2.960000E+06 0.000000E+00 e 0 0 0 0 64 59.627 7.986 4.603 1 U 3.220000E+06 0.000000E+00 e 0 0 0 0 65 59.612 4.214 4.603 1 U 7.980000E+06 0.000000E+00 e 0 0 0 0 66 59.621 3.793 4.605 1 U 2.330000E+07 0.000000E+00 e 0 0 0 0 67 59.598 1.243 4.604 1 U 7.320000E+06 0.000000E+00 e 0 0 0 0 68 31.877 4.415 1.933 1 U 5.650000E+06 0.000000E+00 e 0 0 0 0 69 27.134 1.749 1.785 1 U 1.360000E+07 0.000000E+00 e 0 0 0 0 70 27.137 1.951 1.715 1 U 2.050000E+06 0.000000E+00 e 0 0 0 0 71 27.121 1.752 1.725 1 U 1.300000E+07 0.000000E+00 e 0 0 0 0 72 27.055 3.220 1.720 1 U 2.410000E+06 0.000000E+00 e 0 0 0 0 73 54.450 8.307 4.545 1 U 6.420000E+06 0.000000E+00 e 0 0 0 0 74 41.358 2.685 2.704 1 U 2.760000E+08 0.000000E+00 e 0 0 0 0 75 41.345 8.379 2.709 1 U 3.050000E+06 0.000000E+00 e 0 0 0 0 76 41.295 4.561 2.705 1 U 7.260000E+06 0.000000E+00 e 0 0 0 0 77 41.502 1.640 2.638 1 U 3.210000E+06 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9.200000E+06 0.000000E+00 e 0 0 0 0 110 30.215 1.653 2.120 1 U 2.310000E+06 0.000000E+00 e 0 0 0 0 111 30.005 1.995 2.107 1 U 3.510000E+07 0.000000E+00 e 0 0 0 0 112 29.926 2.124 2.128 1 U 4.850000E+07 0.000000E+00 e 0 0 0 0 113 29.806 2.132 2.135 1 U 4.850000E+07 0.000000E+00 e 0 0 0 0 114 30.225 2.275 2.010 1 U 6.070000E+06 0.000000E+00 e 0 0 0 0 115 30.124 2.277 1.989 1 U 6.290000E+06 0.000000E+00 e 0 0 0 0 116 30.120 1.992 1.989 1 U 7.340000E+07 0.000000E+00 e 0 0 0 0 117 30.211 1.719 1.979 1 U 2.080000E+06 0.000000E+00 e 0 0 0 0 118 29.952 2.128 1.996 1 U 2.440000E+07 0.000000E+00 e 0 0 0 0 119 29.937 1.660 2.010 1 U 2.220000E+06 0.000000E+00 e 0 0 0 0 120 36.255 2.279 2.307 1 U 1.400000E+08 0.000000E+00 e 0 0 0 0 121 36.263 2.271 2.263 1 U 2.300000E+08 0.000000E+00 e 0 0 0 0 122 36.132 1.901 2.247 1 U 2.270000E+06 0.000000E+00 e 0 0 0 0 123 58.821 8.069 4.445 1 U 8.220000E+06 0.000000E+00 e 0 0 0 0 124 58.764 4.444 4.443 1 U 4.310000E+08 0.000000E+00 e 0 0 0 0 125 58.702 8.237 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3.960000E+07 0.000000E+00 e 0 0 0 0 268 66.739 3.398 3.524 1 U 3.580000E+06 0.000000E+00 e 0 0 0 0 269 66.822 1.005 3.521 1 U 2.290000E+06 0.000000E+00 e 0 0 0 0 270 66.600 0.817 3.525 1 U 1.580000E+07 0.000000E+00 e 0 0 0 0 271 66.538 7.669 3.529 1 U 3.470000E+06 0.000000E+00 e 0 0 0 0 272 66.576 3.525 3.525 1 U 4.070000E+07 0.000000E+00 e 0 0 0 0 273 21.890 0.935 0.864 1 U 2.400000E+07 0.000000E+00 e 0 0 0 0 274 22.003 2.211 0.805 1 U 2.000000E+06 0.000000E+00 e 0 0 0 0 275 21.855 0.817 0.808 1 U 2.310000E+07 0.000000E+00 e 0 0 0 0 276 59.869 7.670 3.998 1 U 3.640000E+06 0.000000E+00 e 0 0 0 0 277 59.865 0.843 4.010 1 U 6.660000E+06 0.000000E+00 e 0 0 0 0 278 59.827 8.554 4.020 1 U 6.060000E+06 0.000000E+00 e 0 0 0 0 279 59.782 3.223 4.013 1 U 4.100000E+06 0.000000E+00 e 0 0 0 0 280 59.779 2.451 4.004 1 U 3.000000E+06 0.000000E+00 e 0 0 0 0 281 59.624 1.979 4.020 1 U 1.270000E+07 0.000000E+00 e 0 0 0 0 282 30.435 4.014 1.979 1 U 2.190000E+06 0.000000E+00 e 0 0 0 0 283 43.548 4.027 3.224 1 U 2.860000E+06 0.000000E+00 e 0 0 0 0 284 43.543 3.219 3.219 1 U 1.380000E+08 0.000000E+00 e 0 0 0 0 285 43.583 1.979 3.218 1 U 5.120000E+06 0.000000E+00 e 0 0 0 0 286 43.513 1.751 3.219 1 U 9.150000E+06 0.000000E+00 e 0 0 0 0 287 26.841 0.942 1.716 1 U 1.960000E+06 0.000000E+00 e 0 0 0 0 288 66.192 8.188 3.795 1 U 3.110000E+06 0.000000E+00 e 0 0 0 0 289 66.172 2.718 3.791 1 U 5.450000E+06 0.000000E+00 e 0 0 0 0 290 66.128 2.181 3.788 1 U 5.440000E+06 0.000000E+00 e 0 0 0 0 291 66.175 1.084 3.790 1 U 1.540000E+07 0.000000E+00 e 0 0 0 0 292 66.213 0.953 3.792 1 U 9.810000E+06 0.000000E+00 e 0 0 0 0 293 65.916 1.953 3.792 1 U 2.360000E+06 0.000000E+00 e 0 0 0 0 294 32.026 3.794 2.176 1 U 2.450000E+06 0.000000E+00 e 0 0 0 0 295 32.047 1.090 2.173 1 U 3.170000E+06 0.000000E+00 e 0 0 0 0 296 32.047 0.950 2.157 1 U 4.420000E+06 0.000000E+00 e 0 0 0 0 297 31.941 7.744 2.173 1 U 2.620000E+06 0.000000E+00 e 0 0 0 0 298 31.790 3.815 2.183 1 U 2.320000E+06 0.000000E+00 e 0 0 0 0 299 21.857 1.840 0.954 1 U 2.010000E+06 0.000000E+00 e 0 0 0 0 300 62.222 7.537 4.107 1 U 2.110000E+06 0.000000E+00 e 0 0 0 0 301 62.101 7.028 4.111 1 U 4.660000E+06 0.000000E+00 e 0 0 0 0 302 62.112 0.722 4.112 1 U 5.210000E+06 0.000000E+00 e 0 0 0 0 303 61.985 7.823 4.111 1 U 3.710000E+06 0.000000E+00 e 0 0 0 0 304 62.067 3.431 4.113 1 U 7.330000E+06 0.000000E+00 e 0 0 0 0 305 40.175 3.420 3.428 1 U 2.240000E+06 0.000000E+00 e 0 0 0 0 306 57.221 8.170 4.025 1 U 2.060000E+06 0.000000E+00 e 0 0 0 0 307 56.974 2.037 4.027 1 U 4.700000E+06 0.000000E+00 e 0 0 0 0 308 41.652 2.021 2.026 1 U 2.930000E+06 0.000000E+00 e 0 0 0 0 309 41.624 1.573 2.028 1 U 5.940000E+06 0.000000E+00 e 0 0 0 0 310 41.663 0.907 2.037 1 U 2.150000E+06 0.000000E+00 e 0 0 0 0 311 41.538 1.726 2.042 1 U 2.730000E+06 0.000000E+00 e 0 0 0 0 312 22.419 7.963 1.044 1 U 2.120000E+06 0.000000E+00 e 0 0 0 0 313 22.297 4.027 1.051 1 U 3.120000E+06 0.000000E+00 e 0 0 0 0 314 40.294 4.674 2.828 1 U 3.260000E+06 0.000000E+00 e 0 0 0 0 315 40.284 8.177 2.739 1 U 2.100000E+06 0.000000E+00 e 0 0 0 0 316 40.304 8.175 2.714 1 U 2.020000E+06 0.000000E+00 e 0 0 0 0 317 56.756 1.584 3.989 1 U 4.670000E+06 0.000000E+00 e 0 0 0 0 318 56.660 8.469 3.979 1 U 4.950000E+06 0.000000E+00 e 0 0 0 0 319 56.678 7.642 3.974 1 U 9.250000E+06 0.000000E+00 e 0 0 0 0 320 56.623 1.840 3.973 1 U 1.180000E+07 0.000000E+00 e 0 0 0 0 321 28.495 1.555 1.818 1 U 2.440000E+06 0.000000E+00 e 0 0 0 0 322 43.030 1.841 3.068 1 U 3.440000E+06 0.000000E+00 e 0 0 0 0 323 43.040 1.525 3.072 1 U 3.610000E+06 0.000000E+00 e 0 0 0 0 324 43.140 1.837 3.006 1 U 2.900000E+06 0.000000E+00 e 0 0 0 0 325 43.055 0.893 3.008 1 U 2.330000E+06 0.000000E+00 e 0 0 0 0 326 26.285 1.818 1.591 1 U 2.180000E+06 0.000000E+00 e 0 0 0 0 327 26.143 1.837 1.579 1 U 2.360000E+06 0.000000E+00 e 0 0 0 0 328 55.979 1.995 4.312 1 U 1.280000E+07 0.000000E+00 e 0 0 0 0 329 55.849 2.139 4.311 1 U 1.580000E+07 0.000000E+00 e 0 0 0 0 330 55.797 8.476 4.308 1 U 1.170000E+07 0.000000E+00 e 0 0 0 0 331 55.806 2.345 4.309 1 U 8.410000E+06 0.000000E+00 e 0 0 0 0 332 29.657 4.326 2.145 1 U 3.500000E+06 0.000000E+00 e 0 0 0 0 333 29.693 2.004 2.137 1 U 3.070000E+07 0.000000E+00 e 0 0 0 0 334 29.499 2.363 2.146 1 U 5.410000E+06 0.000000E+00 e 0 0 0 0 335 29.573 2.141 2.146 1 U 5.050000E+07 0.000000E+00 e 0 0 0 0 336 29.579 2.009 2.145 1 U 3.020000E+07 0.000000E+00 e 0 0 0 0 337 29.777 2.140 2.006 1 U 2.420000E+07 0.000000E+00 e 0 0 0 0 338 29.679 2.344 1.997 1 U 4.460000E+06 0.000000E+00 e 0 0 0 0 339 29.697 2.145 2.015 1 U 2.400000E+07 0.000000E+00 e 0 0 0 0 340 56.418 8.315 4.249 1 U 1.330000E+07 0.000000E+00 e 0 0 0 0 341 56.392 2.257 4.252 1 U 5.780000E+06 0.000000E+00 e 0 0 0 0 342 56.376 2.027 4.250 1 U 1.310000E+07 0.000000E+00 e 0 0 0 0 343 56.322 8.482 4.250 1 U 6.500000E+06 0.000000E+00 e 0 0 0 0 344 30.339 4.271 2.022 1 U 2.430000E+06 0.000000E+00 e 0 0 0 0 345 30.362 1.919 1.915 1 U 4.570000E+07 0.000000E+00 e 0 0 0 0 346 30.286 2.293 1.932 1 U 4.630000E+06 0.000000E+00 e 0 0 0 0 347 61.238 8.068 4.135 1 U 5.730000E+06 0.000000E+00 e 0 0 0 0 348 61.248 4.134 4.133 1 U 6.710000E+08 0.000000E+00 e 0 0 0 0 349 61.261 1.470 4.132 1 U 2.010000E+06 0.000000E+00 e 0 0 0 0 350 61.245 0.908 4.133 1 U 1.060000E+07 0.000000E+00 e 0 0 0 0 351 61.202 1.880 4.134 1 U 5.950000E+06 0.000000E+00 e 0 0 0 0 352 61.210 1.191 4.133 1 U 4.750000E+06 0.000000E+00 e 0 0 0 0 353 38.450 1.879 1.878 1 U 1.670000E+08 0.000000E+00 e 0 0 0 0 354 38.453 0.898 1.882 1 U 6.020000E+06 0.000000E+00 e 0 0 0 0 355 27.314 1.195 1.199 1 U 6.670000E+07 0.000000E+00 e 0 0 0 0 356 27.196 1.483 1.195 1 U 9.070000E+06 0.000000E+00 e 0 0 0 0 357 119.976 3.155 7.140 1 U 3.070000E+06 0.000000E+00 e 0 0 0 0 358 137.448 7.162 8.149 1 U 2.250000E+06 0.000000E+00 e 0 0 0 0 359 127.195 8.150 7.285 1 U 5.030000E+06 0.000000E+00 e 0 0 0 0 360 127.134 4.415 7.282 1 U 2.340000E+06 0.000000E+00 e 0 0 0 0 361 127.048 4.270 7.286 1 U 2.810000E+06 0.000000E+00 e 0 0 0 0 362 114.611 1.716 7.381 1 U 2.530000E+06 0.000000E+00 e 0 0 0 0 363 114.536 1.937 7.389 1 U 2.130000E+06 0.000000E+00 e 0 0 0 0 364 114.426 6.936 7.385 1 U 2.310000E+07 0.000000E+00 e 0 0 0 0 365 122.124 7.614 7.139 1 U 5.040000E+06 0.000000E+00 e 0 0 0 0 366 127.107 6.953 7.469 1 U 9.860000E+06 0.000000E+00 e 0 0 0 0 367 127.104 3.271 7.469 1 U 5.700000E+06 0.000000E+00 e 0 0 0 0 368 127.146 1.963 7.472 1 U 2.270000E+06 0.000000E+00 e 0 0 0 0 369 127.131 1.625 7.468 1 U 3.170000E+06 0.000000E+00 e 0 0 0 0 370 127.035 1.432 7.468 1 U 2.100000E+06 0.000000E+00 e 0 0 0 0 371 120.937 3.292 7.540 1 U 6.220000E+06 0.000000E+00 e 0 0 0 0 372 124.446 8.541 7.058 1 U 2.140000E+06 0.000000E+00 e 0 0 0 0 373 124.505 4.204 7.050 1 U 2.030000E+06 0.000000E+00 e 0 0 0 0 374 124.404 2.103 7.060 1 U 4.490000E+06 0.000000E+00 e 0 0 0 0 375 124.437 0.691 7.058 1 U 1.990000E+06 0.000000E+00 e 0 0 0 0 376 124.303 4.188 7.044 1 U 2.030000E+06 0.000000E+00 e 0 0 0 0 377 113.792 4.220 7.599 1 U 3.340000E+06 0.000000E+00 e 0 0 0 0 378 113.700 2.591 7.593 1 U 9.440000E+06 0.000000E+00 e 0 0 0 0 379 113.753 1.981 7.598 1 U 2.540000E+06 0.000000E+00 e 0 0 0 0 380 113.648 7.057 7.596 1 U 7.160000E+06 0.000000E+00 e 0 0 0 0 381 120.741 7.262 6.636 1 U 2.390000E+06 0.000000E+00 e 0 0 0 0 382 120.693 0.577 6.634 1 U 1.970000E+06 0.000000E+00 e 0 0 0 0 383 120.623 7.493 6.632 1 U 2.360000E+06 0.000000E+00 e 0 0 0 0 384 132.863 4.104 7.027 1 U 5.200000E+06 0.000000E+00 e 0 0 0 0 385 132.899 3.429 7.027 1 U 8.410000E+06 0.000000E+00 e 0 0 0 0 386 132.847 1.047 7.028 1 U 7.890000E+06 0.000000E+00 e 0 0 0 0 387 132.840 0.730 7.028 1 U 7.710000E+06 0.000000E+00 e 0 0 0 0 388 132.689 7.823 7.027 1 U 2.220000E+06 0.000000E+00 e 0 0 0 0 389 118.364 3.438 6.779 1 U 2.280000E+06 0.000000E+00 e 0 0 0 0 390 118.208 4.217 6.778 1 U 3.620000E+06 0.000000E+00 e 0 0 0 0 391 118.290 1.231 6.776 1 U 3.700000E+06 0.000000E+00 e 0 0 0 0 392 118.189 7.026 6.778 1 U 2.090000E+07 0.000000E+00 e 0 0 0 0 393 131.798 3.113 7.236 1 U 2.660000E+06 0.000000E+00 e 0 0 0 0 394 29.302 4.769 2.125 1 U 2.310000E+06 0.000000E+00 e 0 0 0 0 395 32.427 7.632 1.931 1 U 2.620000E+06 0.000000E+00 e 0 0 0 0 396 60.616 8.503 3.902 1 U 2.610000E+06 0.000000E+00 e 0 0 0 0 397 23.505 2.206 1.201 1 U 4.100000E+06 0.000000E+00 e 0 0 0 0 398 23.490 0.716 1.201 1 U 1.320000E+07 0.000000E+00 e 0 0 0 0 399 42.030 1.023 2.930 1 U 5.380000E+06 0.000000E+00 e 0 0 0 0 400 59.480 1.760 3.966 1 U 1.000000E+07 0.000000E+00 e 0 0 0 0 401 59.340 1.777 3.968 1 U 1.000000E+07 0.000000E+00 e 0 0 0 0 402 36.715 2.778 2.487 1 U 2.130000E+06 0.000000E+00 e 0 0 0 0 403 36.548 1.569 2.471 1 U 2.570000E+06 0.000000E+00 e 0 0 0 0 404 17.416 7.146 1.446 1 U 1.970000E+06 0.000000E+00 e 0 0 0 0 405 24.146 2.573 0.967 1 U 8.220000E+06 0.000000E+00 e 0 0 0 0 406 133.323 3.176 6.969 1 U 3.200000E+06 0.000000E+00 e 0 0 0 0 407 59.026 0.953 4.070 1 U 3.800000E+06 0.000000E+00 e 0 0 0 0 408 56.378 3.135 4.644 1 U 4.920000E+06 0.000000E+00 e 0 0 0 0 409 31.994 4.488 1.970 1 U 3.390000E+06 0.000000E+00 e 0 0 0 0 410 27.097 3.143 1.755 1 U 1.940000E+06 0.000000E+00 e 0 0 0 0 411 32.253 4.253 1.876 1 U 6.110000E+06 0.000000E+00 e 0 0 0 0 412 36.913 2.760 2.448 1 U 2.170000E+06 0.000000E+00 e 0 0 0 0 413 29.888 2.760 2.890 1 U 2.390000E+06 0.000000E+00 e 0 0 0 0 414 29.565 8.070 2.290 1 U 2.120000E+06 0.000000E+00 e 0 0 0 0 415 29.816 2.191 1.697 1 U 2.390000E+06 0.000000E+00 e 0 0 0 0 416 23.607 7.510 0.699 1 U 2.120000E+06 0.000000E+00 e 0 0 0 0 417 43.273 4.122 1.526 1 U 2.890000E+06 0.000000E+00 e 0 0 0 0 418 14.733 3.910 0.768 1 U 1.990000E+06 0.000000E+00 e 0 0 0 0 419 17.956 4.778 0.979 1 U 3.570000E+06 0.000000E+00 e 0 0 0 0 420 62.474 7.024 3.619 1 U 2.260000E+06 0.000000E+00 e 0 0 0 0 421 58.821 4.130 3.856 1 U 2.660000E+06 0.000000E+00 e 0 0 0 0 422 38.887 6.630 0.558 1 U 7.430000E+06 0.000000E+00 e 0 0 0 0 423 24.253 2.181 1.014 1 U 6.720000E+06 0.000000E+00 e 0 0 0 0 424 17.728 7.660 1.511 1 U 2.040000E+06 0.000000E+00 e 0 0 0 0 425 36.915 0.969 2.587 1 U 2.270000E+06 0.000000E+00 e 0 0 0 0 426 43.872 2.901 3.087 1 U 2.180000E+06 0.000000E+00 e 0 0 0 0 427 27.159 1.309 1.852 1 U 3.390000E+06 0.000000E+00 e 0 0 0 0 428 21.548 3.055 1.234 1 U 1.500000E+06 0.000000E+00 e 0 0 0 0 429 27.144 3.218 1.723 1 U 1.400000E+07 0.000000E+00 e 0 0 0 0 430 41.464 4.043 2.697 1 U 2.560000E+06 0.000000E+00 e 0 0 0 0 431 41.382 2.151 2.698 1 U 2.640000E+06 0.000000E+00 e 0 0 0 0 432 41.438 4.090 2.646 1 U 2.200000E+06 0.000000E+00 e 0 0 0 0 433 63.839 4.684 3.884 1 U 4.760000E+06 0.000000E+00 e 0 0 0 0 434 27.498 3.206 1.474 1 U 1.410000E+06 0.000000E+00 e 0 0 0 0 435 28.956 3.162 1.652 1 U 1.670000E+06 0.000000E+00 e 0 0 0 0 436 29.504 4.752 2.018 1 U 1.850000E+06 0.000000E+00 e 0 0 0 0 437 29.340 1.667 3.322 1 U 2.610000E+06 0.000000E+00 e 0 0 0 0 438 29.209 1.643 3.319 1 U 2.230000E+06 0.000000E+00 e 0 0 0 0 439 29.554 4.392 3.255 1 U 1.570000E+06 0.000000E+00 e 0 0 0 0 440 58.326 1.689 4.393 1 U 1.890000E+06 0.000000E+00 e 0 0 0 0 441 55.437 8.088 4.535 1 U 2.940000E+06 0.000000E+00 e 0 0 0 0 442 55.531 1.678 4.564 1 U 3.180000E+06 0.000000E+00 e 0 0 0 0 443 55.526 0.905 4.557 1 U 2.290000E+06 0.000000E+00 e 0 0 0 0 444 55.412 8.087 4.566 1 U 2.660000E+06 0.000000E+00 e 0 0 0 0 445 55.468 0.903 4.564 1 U 2.280000E+06 0.000000E+00 e 0 0 0 0 446 58.516 2.720 4.106 1 U 2.130000E+06 0.000000E+00 e 0 0 0 0 447 32.797 4.510 1.726 1 U 1.630000E+06 0.000000E+00 e 0 0 0 0 448 27.419 2.152 1.479 1 U 2.140000E+06 0.000000E+00 e 0 0 0 0 449 56.600 10.552 4.326 1 U 2.740000E+06 0.000000E+00 e 0 0 0 0 450 42.619 4.563 1.636 1 U 1.660000E+06 0.000000E+00 e 0 0 0 0 451 24.437 2.200 0.887 1 U 1.850000E+06 0.000000E+00 e 0 0 0 0 452 24.206 8.241 0.897 1 U 1.350000E+06 0.000000E+00 e 0 0 0 0 453 24.255 4.578 0.885 1 U 3.170000E+06 0.000000E+00 e 0 0 0 0 454 24.225 2.939 0.886 1 U 3.680000E+06 0.000000E+00 e 0 0 0 0 455 28.393 4.005 2.221 1 U 1.120000E+07 0.000000E+00 e 0 0 0 0 456 34.056 2.924 2.562 1 U 1.600000E+06 0.000000E+00 e 0 0 0 0 457 34.009 2.926 2.567 1 U 1.590000E+06 0.000000E+00 e 0 0 0 0 458 33.926 2.721 2.567 1 U 6.730000E+06 0.000000E+00 e 0 0 0 0 459 33.850 4.012 2.431 1 U 7.160000E+06 0.000000E+00 e 0 0 0 0 460 59.108 3.876 4.028 1 U 5.020000E+06 0.000000E+00 e 0 0 0 0 461 41.477 4.088 2.682 1 U 2.720000E+06 0.000000E+00 e 0 0 0 0 462 23.355 0.714 1.081 1 U 5.430000E+06 0.000000E+00 e 0 0 0 0 463 28.956 4.322 3.122 1 U 1.650000E+06 0.000000E+00 e 0 0 0 0 464 22.109 7.981 0.854 1 U 1.840000E+06 0.000000E+00 e 0 0 0 0 465 22.168 7.793 0.853 1 U 2.530000E+06 0.000000E+00 e 0 0 0 0 466 22.112 4.273 0.849 1 U 6.070000E+06 0.000000E+00 e 0 0 0 0 467 22.096 2.786 0.810 1 U 1.470000E+06 0.000000E+00 e 0 0 0 0 468 22.057 1.588 0.813 1 U 7.320000E+06 0.000000E+00 e 0 0 0 0 469 59.841 2.432 4.007 1 U 6.410000E+06 0.000000E+00 e 0 0 0 0 470 26.570 3.002 1.719 1 U 1.810000E+06 0.000000E+00 e 0 0 0 0 471 31.933 1.314 2.187 1 U 2.310000E+06 0.000000E+00 e 0 0 0 0 472 31.829 1.823 2.191 1 U 1.670000E+06 0.000000E+00 e 0 0 0 0 473 22.012 2.893 0.956 1 U 6.320000E+06 0.000000E+00 e 0 0 0 0 474 39.982 1.022 3.421 1 U 3.130000E+06 0.000000E+00 e 0 0 0 0 475 57.126 6.792 4.026 1 U 2.020000E+06 0.000000E+00 e 0 0 0 0 476 57.081 7.029 4.025 1 U 2.890000E+06 0.000000E+00 e 0 0 0 0 477 22.473 7.412 1.056 1 U 1.390000E+06 0.000000E+00 e 0 0 0 0 478 22.458 2.428 1.036 1 U 1.450000E+06 0.000000E+00 e 0 0 0 0 479 22.245 3.445 1.044 1 U 2.890000E+06 0.000000E+00 e 0 0 0 0 480 27.411 1.195 1.719 1 U 3.160000E+06 0.000000E+00 e 0 0 0 0 481 40.321 3.967 2.838 1 U 1.750000E+06 0.000000E+00 e 0 0 0 0 482 56.745 7.893 3.975 1 U 1.560000E+06 0.000000E+00 e 0 0 0 0 483 28.773 4.120 1.838 1 U 2.010000E+06 0.000000E+00 e 0 0 0 0 484 43.044 3.969 3.017 1 U 6.890000E+06 0.000000E+00 e 0 0 0 0 485 43.073 1.400 3.014 1 U 1.990000E+06 0.000000E+00 e 0 0 0 0 486 61.251 7.899 4.131 1 U 3.100000E+07 0.000000E+00 e 0 0 0 0 487 124.263 0.939 6.933 1 U 1.570000E+06 0.000000E+00 e 0 0 0 0 488 124.455 0.557 7.055 1 U 1.400000E+06 0.000000E+00 e 0 0 0 0 489 27.339 1.484 1.733 1 U 2.400000E+06 0.000000E+00 e 0 0 0 0 490 28.251 2.522 2.172 1 U 1.970000E+06 0.000000E+00 e 0 0 0 0 491 59.170 2.682 4.018 1 U 2.000000E+06 0.000000E+00 e 0 0 0 0 492 59.631 7.484 4.024 1 U 2.570000E+06 0.000000E+00 e 0 0 0 0 493 56.987 1.049 4.028 1 U 1.410000E+07 0.000000E+00 e 0 0 0 0 494 43.314 4.081 3.074 1 U 2.070000E+06 0.000000E+00 e 0 0 0 0 495 61.250 7.903 4.133 1 U 2.630000E+07 0.000000E+00 e 0 0 0 0 496 127.196 7.137 7.461 1 U 1.990000E+06 0.000000E+00 e 0 0 0 0 497 127.087 4.333 7.470 1 U 1.840000E+07 0.000000E+00 e 0 0 0 0 498 127.061 1.071 7.472 1 U 4.350000E+06 0.000000E+00 e 0 0 0 0 499 113.637 0.578 7.597 1 U 2.290000E+06 0.000000E+00 e 0 0 0 0 500 118.200 0.730 6.780 1 U 3.830000E+06 0.000000E+00 e 0 0 0 0 ; loop_ _Spectral_dim.ID _Spectral_dim.Axis_code _Spectral_dim.Spectrometer_frequency _Spectral_dim.Atom_type _Spectral_dim.Atom_isotope_number _Spectral_dim.Spectral_region _Spectral_dim.Magnetization_linkage_ID _Spectral_dim.Under_sampling_type _Spectral_dim.Sweep_width _Spectral_dim.Sweep_width_units _Spectral_dim.Value_first_point _Spectral_dim.Absolute_peak_positions _Spectral_dim.Acquisition _Spectral_dim.Center_frequency_offset _Spectral_dim.Encoding_code _Spectral_dim.Encoded_reduced_dimension_ID _Spectral_dim.Entry_ID _Spectral_dim.Spectral_peak_list_ID 1 . . C 13 C-aromatic . aliased 6839.945 Hz . . . 126.000 . . 30765 3 2 . . H 1 H . . 13586.957 Hz . . . 4.780 . . 30765 3 3 . . H 1 H . . 11235.955 Hz . . . 4.780 . . 30765 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 30765 _Spectral_peak_list.ID 4 _Spectral_peak_list.Name . _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 20 _Spectral_peak_list.Experiment_name '3D 1H-15N NOESY' _Spectral_peak_list.Experiment_class . _Spectral_peak_list.Experiment_type . _Spectral_peak_list.Number_of_spectral_dimensions 3 _Spectral_peak_list.Chemical_shift_list . _Spectral_peak_list.Assigned_chem_shift_list_ID 1 _Spectral_peak_list.Assigned_chem_shift_list_label $assigned_chemical_shifts_1 _Spectral_peak_list.Details . _Spectral_peak_list.Text_data_format text _Spectral_peak_list.Text_data ; # Number of dimensions 3 # Number of peaks 661 #FORMAT xeasy3D #INAME 1 N #INAME 2 H #INAME 3 HN #SPECTRUM N15NOESY N H HN 1 121.849 4.461 8.338 1 U 6.580000E+06 0.000000E+00 e 0 0 0 0 2 121.592 8.342 8.341 1 U 4.760000E+07 0.000000E+00 e 0 0 0 0 3 112.979 3.031 7.597 1 U 5.910000E+06 0.000000E+00 e 0 0 0 0 4 112.966 2.691 7.599 1 U 1.170000E+07 0.000000E+00 e 0 0 0 0 5 112.715 8.376 7.604 1 U 2.100000E+06 0.000000E+00 e 0 0 0 0 6 112.749 6.927 7.606 1 U 2.750000E+08 0.000000E+00 e 0 0 0 0 7 113.022 3.016 6.950 1 U 3.890000E+06 0.000000E+00 e 0 0 0 0 8 112.870 7.608 6.943 1 U 1.860000E+08 0.000000E+00 e 0 0 0 0 9 112.857 4.775 6.944 1 U 7.190000E+07 0.000000E+00 e 0 0 0 0 10 112.793 8.314 6.951 1 U 2.000000E+06 0.000000E+00 e 0 0 0 0 11 112.802 6.945 6.943 1 U 4.910000E+08 0.000000E+00 e 0 0 0 0 12 116.445 4.776 8.383 1 U 1.050000E+08 0.000000E+00 e 0 0 0 0 13 125.495 3.889 8.278 1 U 1.910000E+06 0.000000E+00 e 0 0 0 0 14 125.421 8.281 8.279 1 U 3.740000E+07 0.000000E+00 e 0 0 0 0 15 125.433 4.349 8.278 1 U 8.730000E+06 0.000000E+00 e 0 0 0 0 16 114.402 4.360 8.143 1 U 5.890000E+06 0.000000E+00 e 0 0 0 0 17 114.383 3.881 8.138 1 U 2.840000E+06 0.000000E+00 e 0 0 0 0 18 123.050 1.772 8.213 1 U 2.150000E+06 0.000000E+00 e 0 0 0 0 19 122.850 4.372 8.219 1 U 4.080000E+06 0.000000E+00 e 0 0 0 0 20 112.418 7.613 6.897 1 U 1.510000E+08 0.000000E+00 e 0 0 0 0 21 112.224 7.626 6.894 1 U 1.450000E+08 0.000000E+00 e 0 0 0 0 22 112.654 7.608 7.606 1 U 5.840000E+08 0.000000E+00 e 0 0 0 0 23 112.595 1.414 7.615 1 U 2.030000E+06 0.000000E+00 e 0 0 0 0 24 112.553 7.095 7.609 1 U 6.480000E+06 0.000000E+00 e 0 0 0 0 25 112.581 2.798 7.608 1 U 8.160000E+06 0.000000E+00 e 0 0 0 0 26 112.444 1.430 7.615 1 U 2.160000E+06 0.000000E+00 e 0 0 0 0 27 116.761 8.543 8.274 1 U 3.610000E+06 0.000000E+00 e 0 0 0 0 28 116.745 8.275 8.273 1 U 1.170000E+08 0.000000E+00 e 0 0 0 0 29 116.747 7.640 8.272 1 U 1.540000E+07 0.000000E+00 e 0 0 0 0 30 116.743 7.043 8.272 1 U 1.830000E+06 0.000000E+00 e 0 0 0 0 31 116.756 1.291 8.272 1 U 1.110000E+07 0.000000E+00 e 0 0 0 0 32 116.790 1.025 8.277 1 U 1.990000E+06 0.000000E+00 e 0 0 0 0 33 116.736 4.480 8.272 1 U 2.520000E+07 0.000000E+00 e 0 0 0 0 34 116.718 4.221 8.274 1 U 1.040000E+07 0.000000E+00 e 0 0 0 0 35 116.732 3.885 8.272 1 U 1.590000E+07 0.000000E+00 e 0 0 0 0 36 116.738 2.520 8.271 1 U 4.740000E+06 0.000000E+00 e 0 0 0 0 37 116.694 1.972 8.272 1 U 6.750000E+06 0.000000E+00 e 0 0 0 0 38 116.706 1.674 8.271 1 U 2.440000E+06 0.000000E+00 e 0 0 0 0 39 125.859 3.911 8.313 1 U 2.500000E+06 0.000000E+00 e 0 0 0 0 40 125.716 8.306 8.305 1 U 2.810000E+07 0.000000E+00 e 0 0 0 0 41 125.761 4.378 8.305 1 U 1.070000E+07 0.000000E+00 e 0 0 0 0 42 125.782 1.407 8.305 1 U 1.160000E+07 0.000000E+00 e 0 0 0 0 43 119.290 3.905 8.009 1 U 2.670000E+06 0.000000E+00 e 0 0 0 0 44 119.159 1.896 8.008 1 U 2.460000E+07 0.000000E+00 e 0 0 0 0 45 119.154 1.439 8.007 1 U 1.500000E+07 0.000000E+00 e 0 0 0 0 46 119.145 8.306 8.008 1 U 8.160000E+06 0.000000E+00 e 0 0 0 0 47 119.134 4.353 8.007 1 U 3.120000E+07 0.000000E+00 e 0 0 0 0 48 119.148 0.908 8.008 1 U 1.020000E+07 0.000000E+00 e 0 0 0 0 49 119.139 8.275 8.271 1 U 3.060000E+07 0.000000E+00 e 0 0 0 0 50 119.136 4.361 8.273 1 U 2.290000E+06 0.000000E+00 e 0 0 0 0 51 119.100 1.907 8.272 1 U 3.590000E+06 0.000000E+00 e 0 0 0 0 52 118.949 4.469 8.271 1 U 6.440000E+06 0.000000E+00 e 0 0 0 0 53 119.034 4.158 8.270 1 U 1.250000E+07 0.000000E+00 e 0 0 0 0 54 118.993 3.916 8.269 1 U 7.210000E+06 0.000000E+00 e 0 0 0 0 55 118.980 0.924 8.268 1 U 3.130000E+06 0.000000E+00 e 0 0 0 0 56 118.235 8.370 8.353 1 U 3.520000E+06 0.000000E+00 e 0 0 0 0 57 117.986 4.470 8.350 1 U 5.830000E+06 0.000000E+00 e 0 0 0 0 58 121.371 4.448 7.906 1 U 2.100000E+07 0.000000E+00 e 0 0 0 0 59 121.357 3.937 7.906 1 U 2.200000E+07 0.000000E+00 e 0 0 0 0 60 121.418 3.100 7.911 1 U 1.920000E+06 0.000000E+00 e 0 0 0 0 61 121.364 1.772 7.906 1 U 1.980000E+07 0.000000E+00 e 0 0 0 0 62 121.369 0.789 7.905 1 U 1.950000E+07 0.000000E+00 e 0 0 0 0 63 121.804 7.233 8.098 1 U 4.290000E+06 0.000000E+00 e 0 0 0 0 64 121.805 4.476 8.096 1 U 1.720000E+07 0.000000E+00 e 0 0 0 0 65 121.780 3.936 8.096 1 U 1.820000E+07 0.000000E+00 e 0 0 0 0 66 121.779 3.100 8.097 1 U 1.990000E+07 0.000000E+00 e 0 0 0 0 67 121.802 1.770 8.097 1 U 9.810000E+06 0.000000E+00 e 0 0 0 0 68 121.799 0.787 8.098 1 U 9.390000E+06 0.000000E+00 e 0 0 0 0 69 121.746 1.237 8.097 1 U 3.330000E+06 0.000000E+00 e 0 0 0 0 70 121.560 0.940 8.099 1 U 1.680000E+06 0.000000E+00 e 0 0 0 0 71 118.889 7.237 8.148 1 U 2.260000E+06 0.000000E+00 e 0 0 0 0 72 118.860 4.451 8.142 1 U 1.370000E+07 0.000000E+00 e 0 0 0 0 73 118.840 0.770 8.143 1 U 2.360000E+06 0.000000E+00 e 0 0 0 0 74 122.829 4.383 8.460 1 U 5.540000E+06 0.000000E+00 e 0 0 0 0 75 122.732 2.373 8.467 1 U 4.720000E+06 0.000000E+00 e 0 0 0 0 76 122.705 2.137 8.459 1 U 9.280000E+06 0.000000E+00 e 0 0 0 0 77 120.238 4.594 8.351 1 U 1.590000E+06 0.000000E+00 e 0 0 0 0 78 120.178 2.138 8.341 1 U 9.810000E+06 0.000000E+00 e 0 0 0 0 79 120.099 8.336 8.339 1 U 5.130000E+07 0.000000E+00 e 0 0 0 0 80 120.130 4.222 8.343 1 U 1.250000E+07 0.000000E+00 e 0 0 0 0 81 120.034 2.375 8.340 1 U 3.100000E+06 0.000000E+00 e 0 0 0 0 82 120.105 1.894 8.344 1 U 1.860000E+07 0.000000E+00 e 0 0 0 0 83 120.111 1.465 8.344 1 U 5.430000E+06 0.000000E+00 e 0 0 0 0 84 119.945 8.141 8.333 1 U 3.530000E+06 0.000000E+00 e 0 0 0 0 85 120.021 4.475 8.340 1 U 2.440000E+06 0.000000E+00 e 0 0 0 0 86 119.816 2.559 8.320 1 U 2.670000E+06 0.000000E+00 e 0 0 0 0 87 123.419 3.951 8.473 1 U 9.780000E+06 0.000000E+00 e 0 0 0 0 88 123.432 2.911 8.472 1 U 1.220000E+07 0.000000E+00 e 0 0 0 0 89 123.367 8.321 8.473 1 U 6.500000E+06 0.000000E+00 e 0 0 0 0 90 123.413 8.152 8.472 1 U 1.120000E+07 0.000000E+00 e 0 0 0 0 91 123.386 4.225 8.470 1 U 6.320000E+06 0.000000E+00 e 0 0 0 0 92 123.376 3.171 8.473 1 U 1.420000E+07 0.000000E+00 e 0 0 0 0 93 123.398 1.889 8.471 1 U 8.740000E+06 0.000000E+00 e 0 0 0 0 94 123.288 1.423 8.459 1 U 2.030000E+06 0.000000E+00 e 0 0 0 0 95 123.216 0.770 8.475 1 U 1.780000E+06 0.000000E+00 e 0 0 0 0 96 119.878 6.791 8.147 1 U 1.610000E+06 0.000000E+00 e 0 0 0 0 97 119.740 7.980 8.148 1 U 6.120000E+06 0.000000E+00 e 0 0 0 0 98 119.714 4.195 8.148 1 U 7.890000E+06 0.000000E+00 e 0 0 0 0 99 119.722 1.658 8.149 1 U 9.530000E+06 0.000000E+00 e 0 0 0 0 100 119.696 0.852 8.146 1 U 1.760000E+06 0.000000E+00 e 0 0 0 0 101 119.685 8.461 8.148 1 U 2.430000E+07 0.000000E+00 e 0 0 0 0 102 119.616 8.322 8.146 1 U 7.880000E+06 0.000000E+00 e 0 0 0 0 103 119.640 8.150 8.148 1 U 1.250000E+08 0.000000E+00 e 0 0 0 0 104 119.683 6.975 8.146 1 U 5.980000E+06 0.000000E+00 e 0 0 0 0 105 119.650 6.785 8.150 1 U 1.720000E+06 0.000000E+00 e 0 0 0 0 106 119.655 3.909 8.148 1 U 1.950000E+07 0.000000E+00 e 0 0 0 0 107 119.670 2.910 8.147 1 U 7.850000E+06 0.000000E+00 e 0 0 0 0 108 119.694 2.017 8.148 1 U 3.530000E+07 0.000000E+00 e 0 0 0 0 109 119.680 1.459 8.149 1 U 5.740000E+06 0.000000E+00 e 0 0 0 0 110 119.549 0.875 8.151 1 U 1.780000E+06 0.000000E+00 e 0 0 0 0 111 119.477 0.824 8.149 1 U 1.760000E+06 0.000000E+00 e 0 0 0 0 112 117.933 4.613 8.474 1 U 2.040000E+06 0.000000E+00 e 0 0 0 0 113 117.770 8.475 8.472 1 U 1.920000E+08 0.000000E+00 e 0 0 0 0 114 117.776 8.145 8.449 1 U 1.460000E+07 0.000000E+00 e 0 0 0 0 115 117.774 8.045 8.474 1 U 2.070000E+07 0.000000E+00 e 0 0 0 0 116 117.777 4.171 8.471 1 U 3.290000E+07 0.000000E+00 e 0 0 0 0 117 117.792 3.902 8.448 1 U 8.090000E+06 0.000000E+00 e 0 0 0 0 118 117.774 2.506 8.475 1 U 2.960000E+07 0.000000E+00 e 0 0 0 0 119 117.772 2.189 8.469 1 U 4.610000E+07 0.000000E+00 e 0 0 0 0 120 117.760 2.015 8.451 1 U 2.270000E+07 0.000000E+00 e 0 0 0 0 121 117.762 1.758 8.451 1 U 5.490000E+06 0.000000E+00 e 0 0 0 0 122 117.756 1.465 8.451 1 U 4.180000E+06 0.000000E+00 e 0 0 0 0 123 111.870 8.450 7.659 1 U 1.890000E+06 0.000000E+00 e 0 0 0 0 124 111.811 7.661 7.658 1 U 2.670000E+08 0.000000E+00 e 0 0 0 0 125 111.779 2.583 7.657 1 U 9.760000E+06 0.000000E+00 e 0 0 0 0 126 111.796 2.427 7.656 1 U 7.210000E+06 0.000000E+00 e 0 0 0 0 127 111.743 2.171 7.658 1 U 3.140000E+06 0.000000E+00 e 0 0 0 0 128 117.062 8.493 7.983 1 U 2.110000E+07 0.000000E+00 e 0 0 0 0 129 117.042 4.241 7.984 1 U 1.700000E+07 0.000000E+00 e 0 0 0 0 130 116.967 2.436 7.979 1 U 3.720000E+06 0.000000E+00 e 0 0 0 0 131 117.025 2.180 7.983 1 U 1.460000E+07 0.000000E+00 e 0 0 0 0 132 116.906 8.146 7.982 1 U 6.440000E+06 0.000000E+00 e 0 0 0 0 133 116.927 3.917 7.981 1 U 1.430000E+07 0.000000E+00 e 0 0 0 0 134 122.373 8.088 8.522 1 U 1.530000E+07 0.000000E+00 e 0 0 0 0 135 122.368 3.906 8.523 1 U 1.110000E+07 0.000000E+00 e 0 0 0 0 136 122.357 1.923 8.522 1 U 1.770000E+07 0.000000E+00 e 0 0 0 0 137 122.365 1.726 8.523 1 U 6.070000E+06 0.000000E+00 e 0 0 0 0 138 122.380 1.580 8.523 1 U 1.700000E+07 0.000000E+00 e 0 0 0 0 139 122.378 1.350 8.523 1 U 1.310000E+07 0.000000E+00 e 0 0 0 0 140 118.279 0.922 8.097 1 U 3.670000E+06 0.000000E+00 e 0 0 0 0 141 118.228 4.174 8.096 1 U 9.500000E+06 0.000000E+00 e 0 0 0 0 142 118.234 3.991 8.095 1 U 1.870000E+07 0.000000E+00 e 0 0 0 0 143 118.218 2.472 8.095 1 U 1.590000E+07 0.000000E+00 e 0 0 0 0 144 118.226 1.926 8.094 1 U 1.480000E+07 0.000000E+00 e 0 0 0 0 145 118.217 1.585 8.094 1 U 8.060000E+06 0.000000E+00 e 0 0 0 0 146 118.213 1.381 8.097 1 U 6.470000E+06 0.000000E+00 e 0 0 0 0 147 119.150 8.555 7.862 1 U 4.710000E+06 0.000000E+00 e 0 0 0 0 148 119.187 8.040 7.864 1 U 2.710000E+07 0.000000E+00 e 0 0 0 0 149 119.243 6.839 7.872 1 U 1.750000E+06 0.000000E+00 e 0 0 0 0 150 119.204 4.154 7.862 1 U 1.710000E+07 0.000000E+00 e 0 0 0 0 151 119.085 2.961 7.854 1 U 1.840000E+06 0.000000E+00 e 0 0 0 0 152 119.053 1.454 7.861 1 U 5.190000E+06 0.000000E+00 e 0 0 0 0 153 109.487 2.604 7.345 1 U 2.160000E+06 0.000000E+00 e 0 0 0 0 154 109.354 6.824 7.342 1 U 7.740000E+07 0.000000E+00 e 0 0 0 0 155 109.373 4.149 7.362 1 U 1.840000E+06 0.000000E+00 e 0 0 0 0 156 109.323 4.143 7.337 1 U 2.710000E+06 0.000000E+00 e 0 0 0 0 157 109.311 2.411 7.342 1 U 7.500000E+06 0.000000E+00 e 0 0 0 0 158 109.284 2.184 7.339 1 U 3.090000E+06 0.000000E+00 e 0 0 0 0 159 109.466 4.141 6.822 1 U 2.390000E+06 0.000000E+00 e 0 0 0 0 160 109.343 7.346 6.823 1 U 7.150000E+07 0.000000E+00 e 0 0 0 0 161 109.372 2.778 6.824 1 U 5.100000E+06 0.000000E+00 e 0 0 0 0 162 109.322 2.424 6.823 1 U 4.610000E+06 0.000000E+00 e 0 0 0 0 163 109.261 2.171 6.826 1 U 2.090000E+06 0.000000E+00 e 0 0 0 0 164 121.095 8.584 8.013 1 U 1.910000E+07 0.000000E+00 e 0 0 0 0 165 121.034 8.012 8.012 1 U 1.480000E+08 0.000000E+00 e 0 0 0 0 166 121.021 7.853 8.011 1 U 2.400000E+07 0.000000E+00 e 0 0 0 0 167 121.111 3.797 8.014 1 U 1.300000E+07 0.000000E+00 e 0 0 0 0 168 121.081 2.002 8.012 1 U 8.520000E+06 0.000000E+00 e 0 0 0 0 169 121.044 1.707 8.004 1 U 3.500000E+06 0.000000E+00 e 0 0 0 0 170 121.095 1.437 8.013 1 U 3.490000E+07 0.000000E+00 e 0 0 0 0 171 121.060 0.978 8.012 1 U 1.490000E+07 0.000000E+00 e 0 0 0 0 172 120.991 4.146 8.012 1 U 6.580000E+06 0.000000E+00 e 0 0 0 0 173 120.915 2.770 8.012 1 U 4.160000E+06 0.000000E+00 e 0 0 0 0 174 120.854 6.975 8.019 1 U 1.580000E+06 0.000000E+00 e 0 0 0 0 175 119.050 7.838 8.588 1 U 3.540000E+06 0.000000E+00 e 0 0 0 0 176 119.000 8.004 8.585 1 U 2.730000E+07 0.000000E+00 e 0 0 0 0 177 118.973 4.302 8.587 1 U 2.260000E+06 0.000000E+00 e 0 0 0 0 178 118.985 4.122 8.585 1 U 1.690000E+07 0.000000E+00 e 0 0 0 0 179 118.986 3.798 8.582 1 U 4.710000E+06 0.000000E+00 e 0 0 0 0 180 118.993 2.011 8.586 1 U 2.290000E+07 0.000000E+00 e 0 0 0 0 181 118.988 1.704 8.586 1 U 2.270000E+07 0.000000E+00 e 0 0 0 0 182 118.986 1.433 8.586 1 U 1.880000E+07 0.000000E+00 e 0 0 0 0 183 118.997 0.944 8.586 1 U 1.330000E+07 0.000000E+00 e 0 0 0 0 184 118.923 8.289 8.589 1 U 2.570000E+06 0.000000E+00 e 0 0 0 0 185 115.128 2.316 7.986 1 U 2.660000E+06 0.000000E+00 e 0 0 0 0 186 115.041 8.292 7.985 1 U 3.500000E+06 0.000000E+00 e 0 0 0 0 187 115.015 7.805 7.985 1 U 1.500000E+07 0.000000E+00 e 0 0 0 0 188 115.010 4.306 7.984 1 U 1.960000E+07 0.000000E+00 e 0 0 0 0 189 115.023 4.133 7.983 1 U 1.150000E+07 0.000000E+00 e 0 0 0 0 190 115.086 2.762 7.982 1 U 3.620000E+06 0.000000E+00 e 0 0 0 0 191 115.018 2.009 7.985 1 U 1.530000E+07 0.000000E+00 e 0 0 0 0 192 115.000 1.703 7.983 1 U 9.140000E+06 0.000000E+00 e 0 0 0 0 193 115.018 1.431 7.986 1 U 2.780000E+06 0.000000E+00 e 0 0 0 0 194 115.016 0.938 7.982 1 U 6.510000E+06 0.000000E+00 e 0 0 0 0 195 114.989 1.201 7.982 1 U 8.600000E+06 0.000000E+00 e 0 0 0 0 196 119.422 8.460 7.792 1 U 2.980000E+06 0.000000E+00 e 0 0 0 0 197 119.458 7.478 7.789 1 U 3.470000E+06 0.000000E+00 e 0 0 0 0 198 119.412 7.172 7.815 1 U 1.780000E+06 0.000000E+00 e 0 0 0 0 199 119.371 4.156 7.787 1 U 2.580000E+07 0.000000E+00 e 0 0 0 0 200 119.439 3.082 7.795 1 U 2.710000E+06 0.000000E+00 e 0 0 0 0 201 119.384 1.896 7.787 1 U 4.910000E+07 0.000000E+00 e 0 0 0 0 202 119.381 1.711 7.787 1 U 2.320000E+07 0.000000E+00 e 0 0 0 0 203 119.342 8.309 7.796 1 U 1.290000E+07 0.000000E+00 e 0 0 0 0 204 119.336 7.976 7.797 1 U 2.150000E+07 0.000000E+00 e 0 0 0 0 205 119.358 7.797 7.791 1 U 2.340000E+08 0.000000E+00 e 0 0 0 0 206 119.339 7.011 7.799 1 U 9.250000E+06 0.000000E+00 e 0 0 0 0 207 119.283 6.747 7.800 1 U 4.570000E+06 0.000000E+00 e 0 0 0 0 208 119.318 6.206 7.807 1 U 3.020000E+06 0.000000E+00 e 0 0 0 0 209 119.342 4.305 7.799 1 U 1.190000E+07 0.000000E+00 e 0 0 0 0 210 119.339 4.027 7.797 1 U 1.920000E+07 0.000000E+00 e 0 0 0 0 211 119.274 3.794 7.800 1 U 8.890000E+06 0.000000E+00 e 0 0 0 0 212 119.342 2.764 7.798 1 U 2.620000E+07 0.000000E+00 e 0 0 0 0 213 119.361 1.523 7.793 1 U 4.850000E+06 0.000000E+00 e 0 0 0 0 214 119.308 1.473 7.800 1 U 4.800000E+06 0.000000E+00 e 0 0 0 0 215 119.294 1.204 7.800 1 U 7.070000E+06 0.000000E+00 e 0 0 0 0 216 119.357 1.031 7.788 1 U 1.300000E+07 0.000000E+00 e 0 0 0 0 217 119.149 7.198 7.795 1 U 1.750000E+06 0.000000E+00 e 0 0 0 0 218 119.920 1.458 8.290 1 U 2.050000E+06 0.000000E+00 e 0 0 0 0 219 119.805 1.579 8.307 1 U 1.840000E+06 0.000000E+00 e 0 0 0 0 220 119.717 8.310 8.306 1 U 8.300000E+07 0.000000E+00 e 0 0 0 0 221 119.742 7.997 8.308 1 U 2.810000E+06 0.000000E+00 e 0 0 0 0 222 119.715 7.801 8.306 1 U 1.100000E+07 0.000000E+00 e 0 0 0 0 223 119.732 4.064 8.305 1 U 1.370000E+07 0.000000E+00 e 0 0 0 0 224 119.731 3.089 8.305 1 U 8.130000E+06 0.000000E+00 e 0 0 0 0 225 119.718 2.753 8.306 1 U 2.200000E+07 0.000000E+00 e 0 0 0 0 226 119.744 2.296 8.307 1 U 3.590000E+06 0.000000E+00 e 0 0 0 0 227 119.693 7.156 8.305 1 U 8.480000E+06 0.000000E+00 e 0 0 0 0 228 119.686 7.010 8.301 1 U 2.520000E+06 0.000000E+00 e 0 0 0 0 229 119.683 2.013 8.300 1 U 3.470000E+06 0.000000E+00 e 0 0 0 0 230 119.656 1.583 8.303 1 U 1.810000E+06 0.000000E+00 e 0 0 0 0 231 119.636 1.227 8.298 1 U 1.890000E+06 0.000000E+00 e 0 0 0 0 232 119.603 0.945 8.305 1 U 3.970000E+06 0.000000E+00 e 0 0 0 0 233 119.577 1.684 8.290 1 U 1.830000E+06 0.000000E+00 e 0 0 0 0 234 119.919 8.312 8.648 1 U 1.250000E+07 0.000000E+00 e 0 0 0 0 235 119.999 1.408 8.646 1 U 1.830000E+06 0.000000E+00 e 0 0 0 0 236 119.899 7.194 8.650 1 U 5.340000E+06 0.000000E+00 e 0 0 0 0 237 119.905 4.046 8.648 1 U 2.050000E+07 0.000000E+00 e 0 0 0 0 238 119.868 3.103 8.646 1 U 2.680000E+06 0.000000E+00 e 0 0 0 0 239 119.907 2.737 8.647 1 U 5.730000E+06 0.000000E+00 e 0 0 0 0 240 119.904 2.552 8.648 1 U 1.660000E+07 0.000000E+00 e 0 0 0 0 241 119.897 2.313 8.648 1 U 2.830000E+07 0.000000E+00 e 0 0 0 0 242 119.877 2.016 8.647 1 U 1.480000E+07 0.000000E+00 e 0 0 0 0 243 119.894 0.953 8.649 1 U 5.540000E+06 0.000000E+00 e 0 0 0 0 244 110.631 2.324 7.302 1 U 1.380000E+07 0.000000E+00 e 0 0 0 0 245 110.629 2.018 7.299 1 U 3.280000E+06 0.000000E+00 e 0 0 0 0 246 110.608 2.548 7.302 1 U 7.530000E+06 0.000000E+00 e 0 0 0 0 247 110.535 1.581 7.302 1 U 2.870000E+06 0.000000E+00 e 0 0 0 0 248 110.601 0.948 7.301 1 U 1.100000E+07 0.000000E+00 e 0 0 0 0 249 110.800 2.027 6.813 1 U 1.870000E+06 0.000000E+00 e 0 0 0 0 250 110.678 7.962 6.809 1 U 1.830000E+06 0.000000E+00 e 0 0 0 0 251 110.668 7.304 6.809 1 U 1.730000E+08 0.000000E+00 e 0 0 0 0 252 110.633 2.323 6.809 1 U 7.400000E+06 0.000000E+00 e 0 0 0 0 253 110.652 0.938 6.809 1 U 1.010000E+07 0.000000E+00 e 0 0 0 0 254 110.614 2.554 6.809 1 U 3.860000E+06 0.000000E+00 e 0 0 0 0 255 110.588 1.566 6.806 1 U 2.690000E+06 0.000000E+00 e 0 0 0 0 256 116.658 0.937 7.373 1 U 1.820000E+06 0.000000E+00 e 0 0 0 0 257 116.600 8.311 7.376 1 U 2.490000E+06 0.000000E+00 e 0 0 0 0 258 116.566 7.204 7.371 1 U 1.790000E+07 0.000000E+00 e 0 0 0 0 259 116.590 4.040 7.373 1 U 1.010000E+07 0.000000E+00 e 0 0 0 0 260 116.566 3.879 7.371 1 U 1.200000E+07 0.000000E+00 e 0 0 0 0 261 116.545 2.742 7.372 1 U 1.690000E+06 0.000000E+00 e 0 0 0 0 262 116.542 2.497 7.372 1 U 1.290000E+07 0.000000E+00 e 0 0 0 0 263 116.580 2.309 7.370 1 U 1.090000E+07 0.000000E+00 e 0 0 0 0 264 116.570 2.000 7.371 1 U 1.660000E+07 0.000000E+00 e 0 0 0 0 265 116.553 1.382 7.373 1 U 9.430000E+06 0.000000E+00 e 0 0 0 0 266 115.495 2.505 7.205 1 U 3.250000E+06 0.000000E+00 e 0 0 0 0 267 115.362 4.049 7.203 1 U 1.150000E+07 0.000000E+00 e 0 0 0 0 268 115.386 3.877 7.205 1 U 5.840000E+06 0.000000E+00 e 0 0 0 0 269 115.370 3.435 7.214 1 U 4.200000E+06 0.000000E+00 e 0 0 0 0 270 115.363 3.185 7.202 1 U 5.500000E+06 0.000000E+00 e 0 0 0 0 271 115.372 2.743 7.206 1 U 5.500000E+06 0.000000E+00 e 0 0 0 0 272 115.408 1.954 7.210 1 U 6.860000E+06 0.000000E+00 e 0 0 0 0 273 115.372 1.926 7.196 1 U 6.750000E+06 0.000000E+00 e 0 0 0 0 274 115.414 1.396 7.200 1 U 3.880000E+06 0.000000E+00 e 0 0 0 0 275 115.287 8.308 7.202 1 U 1.910000E+06 0.000000E+00 e 0 0 0 0 276 122.512 6.972 9.520 1 U 1.430000E+07 0.000000E+00 e 0 0 0 0 277 122.510 4.007 9.519 1 U 1.680000E+07 0.000000E+00 e 0 0 0 0 278 122.530 2.788 9.519 1 U 2.610000E+06 0.000000E+00 e 0 0 0 0 279 122.505 1.969 9.520 1 U 2.720000E+07 0.000000E+00 e 0 0 0 0 280 122.501 1.797 9.520 1 U 2.660000E+07 0.000000E+00 e 0 0 0 0 281 122.509 1.491 9.519 1 U 1.150000E+07 0.000000E+00 e 0 0 0 0 282 112.418 2.371 7.677 1 U 2.380000E+06 0.000000E+00 e 0 0 0 0 283 112.179 7.682 7.680 1 U 2.600000E+08 0.000000E+00 e 0 0 0 0 284 112.211 7.141 7.682 1 U 1.040000E+08 0.000000E+00 e 0 0 0 0 285 112.225 2.750 7.676 1 U 1.730000E+06 0.000000E+00 e 0 0 0 0 286 112.160 1.798 7.682 1 U 5.610000E+06 0.000000E+00 e 0 0 0 0 287 112.155 1.489 7.682 1 U 7.930000E+06 0.000000E+00 e 0 0 0 0 288 112.098 1.966 7.683 1 U 1.950000E+07 0.000000E+00 e 0 0 0 0 289 112.000 4.016 7.684 1 U 1.620000E+06 0.000000E+00 e 0 0 0 0 290 112.195 1.962 7.141 1 U 8.800000E+06 0.000000E+00 e 0 0 0 0 291 112.161 1.787 7.138 1 U 1.730000E+06 0.000000E+00 e 0 0 0 0 292 112.202 1.488 7.141 1 U 4.210000E+06 0.000000E+00 e 0 0 0 0 293 112.039 1.798 7.139 1 U 1.770000E+06 0.000000E+00 e 0 0 0 0 294 116.210 7.618 6.971 1 U 1.600000E+07 0.000000E+00 e 0 0 0 0 295 116.234 7.169 6.972 1 U 1.330000E+07 0.000000E+00 e 0 0 0 0 296 116.212 4.340 6.971 1 U 9.920000E+06 0.000000E+00 e 0 0 0 0 297 116.224 1.794 6.973 1 U 9.820000E+06 0.000000E+00 e 0 0 0 0 298 116.208 1.491 6.972 1 U 1.460000E+07 0.000000E+00 e 0 0 0 0 299 116.183 4.010 6.972 1 U 6.440000E+06 0.000000E+00 e 0 0 0 0 300 116.184 3.273 6.971 1 U 8.500000E+06 0.000000E+00 e 0 0 0 0 301 116.150 2.264 6.971 1 U 2.890000E+06 0.000000E+00 e 0 0 0 0 302 116.193 1.967 6.972 1 U 1.280000E+07 0.000000E+00 e 0 0 0 0 303 112.354 9.516 7.599 1 U 1.700000E+06 0.000000E+00 e 0 0 0 0 304 112.219 7.295 7.612 1 U 2.640000E+07 0.000000E+00 e 0 0 0 0 305 112.208 4.470 7.613 1 U 1.150000E+07 0.000000E+00 e 0 0 0 0 306 112.223 4.005 7.611 1 U 2.630000E+06 0.000000E+00 e 0 0 0 0 307 112.180 2.290 7.612 1 U 7.250000E+06 0.000000E+00 e 0 0 0 0 308 112.184 1.792 7.613 1 U 1.670000E+07 0.000000E+00 e 0 0 0 0 309 112.127 1.462 7.619 1 U 1.990000E+06 0.000000E+00 e 0 0 0 0 310 112.029 3.268 7.613 1 U 2.240000E+06 0.000000E+00 e 0 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5.890000E+06 0.000000E+00 e 0 0 0 0 327 112.785 1.928 7.474 1 U 9.100000E+06 0.000000E+00 e 0 0 0 0 328 112.804 1.783 7.475 1 U 9.770000E+06 0.000000E+00 e 0 0 0 0 329 112.748 1.663 7.474 1 U 6.670000E+06 0.000000E+00 e 0 0 0 0 330 112.509 1.472 7.468 1 U 1.580000E+06 0.000000E+00 e 0 0 0 0 331 129.876 4.326 9.007 1 U 5.520000E+06 0.000000E+00 e 0 0 0 0 332 129.869 3.932 9.009 1 U 2.200000E+06 0.000000E+00 e 0 0 0 0 333 129.886 1.932 9.005 1 U 1.050000E+07 0.000000E+00 e 0 0 0 0 334 129.825 1.730 9.022 1 U 1.780000E+06 0.000000E+00 e 0 0 0 0 335 119.187 4.322 8.740 1 U 7.020000E+06 0.000000E+00 e 0 0 0 0 336 119.161 2.463 8.742 1 U 8.670000E+06 0.000000E+00 e 0 0 0 0 337 119.100 8.051 8.736 1 U 1.660000E+06 0.000000E+00 e 0 0 0 0 338 119.045 4.161 8.743 1 U 2.810000E+07 0.000000E+00 e 0 0 0 0 339 119.065 2.756 8.745 1 U 3.770000E+06 0.000000E+00 e 0 0 0 0 340 119.063 2.023 8.743 1 U 5.040000E+07 0.000000E+00 e 0 0 0 0 341 118.999 8.747 8.744 1 U 2.380000E+08 0.000000E+00 e 0 0 0 0 342 118.963 8.557 8.744 1 U 1.020000E+07 0.000000E+00 e 0 0 0 0 343 118.966 7.859 8.745 1 U 2.580000E+07 0.000000E+00 e 0 0 0 0 344 118.991 3.990 8.743 1 U 3.850000E+06 0.000000E+00 e 0 0 0 0 345 118.977 1.540 8.746 1 U 1.060000E+07 0.000000E+00 e 0 0 0 0 346 118.915 2.309 8.747 1 U 2.030000E+07 0.000000E+00 e 0 0 0 0 347 118.849 1.337 8.750 1 U 2.080000E+06 0.000000E+00 e 0 0 0 0 348 118.808 7.846 8.749 1 U 2.560000E+07 0.000000E+00 e 0 0 0 0 349 120.696 4.327 7.879 1 U 4.560000E+06 0.000000E+00 e 0 0 0 0 350 120.599 8.527 7.879 1 U 2.300000E+07 0.000000E+00 e 0 0 0 0 351 120.649 4.152 7.874 1 U 1.110000E+07 0.000000E+00 e 0 0 0 0 352 120.600 2.755 7.878 1 U 2.080000E+07 0.000000E+00 e 0 0 0 0 353 120.614 2.475 7.877 1 U 6.720000E+06 0.000000E+00 e 0 0 0 0 354 120.644 2.310 7.879 1 U 4.750000E+06 0.000000E+00 e 0 0 0 0 355 120.614 2.027 7.878 1 U 1.870000E+07 0.000000E+00 e 0 0 0 0 356 121.860 4.222 8.528 1 U 1.720000E+07 0.000000E+00 e 0 0 0 0 357 121.641 2.745 8.531 1 U 1.980000E+07 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116.133 8.407 8.406 1 U 1.290000E+08 0.000000E+00 e 0 0 0 0 421 116.141 7.650 8.411 1 U 2.700000E+06 0.000000E+00 e 0 0 0 0 422 116.149 7.255 8.414 1 U 5.270000E+06 0.000000E+00 e 0 0 0 0 423 116.173 7.103 8.410 1 U 1.580000E+07 0.000000E+00 e 0 0 0 0 424 116.113 3.882 8.393 1 U 1.510000E+07 0.000000E+00 e 0 0 0 0 425 116.160 3.655 8.410 1 U 2.010000E+07 0.000000E+00 e 0 0 0 0 426 116.184 3.269 8.410 1 U 6.810000E+06 0.000000E+00 e 0 0 0 0 427 116.111 2.619 8.394 1 U 3.950000E+06 0.000000E+00 e 0 0 0 0 428 116.139 2.111 8.397 1 U 5.520000E+06 0.000000E+00 e 0 0 0 0 429 116.164 1.835 8.411 1 U 3.670000E+07 0.000000E+00 e 0 0 0 0 430 116.149 1.689 8.410 1 U 1.230000E+07 0.000000E+00 e 0 0 0 0 431 116.144 1.535 8.404 1 U 6.950000E+06 0.000000E+00 e 0 0 0 0 432 116.138 1.263 8.408 1 U 1.340000E+07 0.000000E+00 e 0 0 0 0 433 116.062 8.093 8.391 1 U 1.310000E+07 0.000000E+00 e 0 0 0 0 434 116.030 7.807 8.389 1 U 1.190000E+07 0.000000E+00 e 0 0 0 0 435 116.053 7.488 8.401 1 U 2.620000E+06 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7.107 1 U 1.940000E+06 0.000000E+00 e 0 0 0 0 452 116.557 3.475 7.109 1 U 2.500000E+06 0.000000E+00 e 0 0 0 0 453 121.029 1.350 8.360 1 U 3.690000E+06 0.000000E+00 e 0 0 0 0 454 120.930 7.866 8.360 1 U 1.530000E+07 0.000000E+00 e 0 0 0 0 455 120.925 7.107 8.359 1 U 2.030000E+07 0.000000E+00 e 0 0 0 0 456 120.915 3.959 8.361 1 U 6.090000E+06 0.000000E+00 e 0 0 0 0 457 120.932 2.215 8.359 1 U 2.460000E+07 0.000000E+00 e 0 0 0 0 458 120.909 2.056 8.359 1 U 1.260000E+07 0.000000E+00 e 0 0 0 0 459 120.921 1.224 8.360 1 U 3.630000E+06 0.000000E+00 e 0 0 0 0 460 120.930 1.003 8.359 1 U 3.540000E+07 0.000000E+00 e 0 0 0 0 461 120.898 8.363 8.360 1 U 1.260000E+08 0.000000E+00 e 0 0 0 0 462 120.884 8.048 8.352 1 U 2.260000E+06 0.000000E+00 e 0 0 0 0 463 120.839 1.718 8.358 1 U 7.950000E+06 0.000000E+00 e 0 0 0 0 464 120.797 1.542 8.360 1 U 5.140000E+06 0.000000E+00 e 0 0 0 0 465 120.837 1.313 8.355 1 U 3.940000E+06 0.000000E+00 e 0 0 0 0 466 120.790 0.683 8.350 1 U 2.480000E+06 0.000000E+00 e 0 0 0 0 467 118.549 -0.517 7.860 1 U 1.910000E+06 0.000000E+00 e 0 0 0 0 468 118.433 8.365 7.865 1 U 1.690000E+07 0.000000E+00 e 0 0 0 0 469 118.421 7.135 7.865 1 U 1.340000E+07 0.000000E+00 e 0 0 0 0 470 118.439 3.824 7.860 1 U 1.560000E+07 0.000000E+00 e 0 0 0 0 471 118.448 3.647 7.867 1 U 6.320000E+06 0.000000E+00 e 0 0 0 0 472 118.416 3.494 7.866 1 U 4.790000E+06 0.000000E+00 e 0 0 0 0 473 118.416 1.619 7.862 1 U 2.080000E+07 0.000000E+00 e 0 0 0 0 474 118.435 1.306 7.861 1 U 2.370000E+07 0.000000E+00 e 0 0 0 0 475 118.482 1.008 7.864 1 U 1.980000E+07 0.000000E+00 e 0 0 0 0 476 118.387 0.692 7.865 1 U 1.000000E+07 0.000000E+00 e 0 0 0 0 477 118.409 0.213 7.866 1 U 8.840000E+06 0.000000E+00 e 0 0 0 0 478 116.553 2.173 7.134 1 U 5.010000E+06 0.000000E+00 e 0 0 0 0 479 116.562 0.209 7.130 1 U 2.370000E+06 0.000000E+00 e 0 0 0 0 480 116.440 7.867 7.139 1 U 1.340000E+07 0.000000E+00 e 0 0 0 0 481 116.471 7.137 7.137 1 U 1.550000E+08 0.000000E+00 e 0 0 0 0 482 116.482 4.221 7.139 1 U 1.680000E+07 0.000000E+00 e 0 0 0 0 483 116.478 3.817 7.139 1 U 5.520000E+06 0.000000E+00 e 0 0 0 0 484 116.443 3.491 7.131 1 U 2.870000E+06 0.000000E+00 e 0 0 0 0 485 116.463 1.623 7.139 1 U 2.240000E+07 0.000000E+00 e 0 0 0 0 486 116.448 0.847 7.140 1 U 1.390000E+07 0.000000E+00 e 0 0 0 0 487 121.905 3.990 7.558 1 U 7.340000E+06 0.000000E+00 e 0 0 0 0 488 121.929 0.987 7.553 1 U 3.470000E+06 0.000000E+00 e 0 0 0 0 489 121.822 4.226 7.554 1 U 8.440000E+06 0.000000E+00 e 0 0 0 0 490 121.842 3.829 7.554 1 U 6.490000E+06 0.000000E+00 e 0 0 0 0 491 121.844 2.142 7.554 1 U 2.480000E+07 0.000000E+00 e 0 0 0 0 492 121.855 1.803 7.555 1 U 9.040000E+06 0.000000E+00 e 0 0 0 0 493 105.955 2.392 8.700 1 U 1.710000E+06 0.000000E+00 e 0 0 0 0 494 105.869 7.958 8.693 1 U 1.860000E+06 0.000000E+00 e 0 0 0 0 495 105.863 3.991 8.709 1 U 5.350000E+06 0.000000E+00 e 0 0 0 0 496 116.199 1.745 7.973 1 U 3.670000E+06 0.000000E+00 e 0 0 0 0 497 116.216 1.432 7.964 1 U 2.120000E+06 0.000000E+00 e 0 0 0 0 498 116.167 7.971 7.969 1 U 1.410000E+08 0.000000E+00 e 0 0 0 0 499 116.111 7.618 7.968 1 U 1.660000E+07 0.000000E+00 e 0 0 0 0 500 116.112 4.405 7.969 1 U 1.530000E+07 0.000000E+00 e 0 0 0 0 501 116.145 3.988 7.969 1 U 2.390000E+07 0.000000E+00 e 0 0 0 0 502 116.114 0.789 7.968 1 U 3.320000E+06 0.000000E+00 e 0 0 0 0 503 122.330 0.799 7.615 1 U 3.180000E+06 0.000000E+00 e 0 0 0 0 504 122.290 7.969 7.618 1 U 1.630000E+07 0.000000E+00 e 0 0 0 0 505 122.263 7.448 7.619 1 U 5.510000E+06 0.000000E+00 e 0 0 0 0 506 122.287 3.967 7.619 1 U 2.180000E+07 0.000000E+00 e 0 0 0 0 507 122.244 2.999 7.606 1 U 1.710000E+06 0.000000E+00 e 0 0 0 0 508 122.300 1.906 7.618 1 U 2.330000E+07 0.000000E+00 e 0 0 0 0 509 122.303 1.799 7.618 1 U 1.860000E+07 0.000000E+00 e 0 0 0 0 510 122.312 1.426 7.617 1 U 1.290000E+07 0.000000E+00 e 0 0 0 0 511 114.751 7.467 8.318 1 U 9.830000E+06 0.000000E+00 e 0 0 0 0 512 114.696 3.969 8.318 1 U 7.580000E+06 0.000000E+00 e 0 0 0 0 513 114.771 3.027 8.319 1 U 5.300000E+06 0.000000E+00 e 0 0 0 0 514 114.750 2.686 8.317 1 U 7.210000E+06 0.000000E+00 e 0 0 0 0 515 114.673 1.918 8.321 1 U 3.990000E+06 0.000000E+00 e 0 0 0 0 516 114.726 1.757 8.321 1 U 5.270000E+06 0.000000E+00 e 0 0 0 0 517 114.674 1.431 8.315 1 U 3.330000E+06 0.000000E+00 e 0 0 0 0 518 114.739 0.806 8.319 1 U 2.560000E+06 0.000000E+00 e 0 0 0 0 519 114.661 7.629 8.321 1 U 4.140000E+06 0.000000E+00 e 0 0 0 0 520 119.714 3.967 7.467 1 U 4.540000E+06 0.000000E+00 e 0 0 0 0 521 119.699 1.929 7.465 1 U 1.780000E+07 0.000000E+00 e 0 0 0 0 522 119.712 1.730 7.465 1 U 2.330000E+07 0.000000E+00 e 0 0 0 0 523 119.704 0.797 7.466 1 U 2.220000E+07 0.000000E+00 e 0 0 0 0 524 119.669 8.329 7.466 1 U 9.530000E+06 0.000000E+00 e 0 0 0 0 525 119.690 7.641 7.464 1 U 7.470000E+06 0.000000E+00 e 0 0 0 0 526 119.663 4.408 7.467 1 U 5.450000E+06 0.000000E+00 e 0 0 0 0 527 119.693 4.119 7.467 1 U 1.810000E+06 0.000000E+00 e 0 0 0 0 528 119.672 2.673 7.465 1 U 3.620000E+06 0.000000E+00 e 0 0 0 0 529 119.675 1.514 7.466 1 U 1.160000E+07 0.000000E+00 e 0 0 0 0 530 120.393 7.794 9.248 1 U 2.830000E+06 0.000000E+00 e 0 0 0 0 531 120.247 1.510 9.242 1 U 6.240000E+06 0.000000E+00 e 0 0 0 0 532 120.275 1.216 9.243 1 U 1.590000E+06 0.000000E+00 e 0 0 0 0 533 120.245 0.798 9.243 1 U 1.200000E+07 0.000000E+00 e 0 0 0 0 534 120.208 7.797 9.244 1 U 2.960000E+06 0.000000E+00 e 0 0 0 0 535 120.214 7.464 9.245 1 U 3.000000E+06 0.000000E+00 e 0 0 0 0 536 120.236 4.136 9.241 1 U 8.310000E+06 0.000000E+00 e 0 0 0 0 537 120.164 3.857 9.251 1 U 2.300000E+06 0.000000E+00 e 0 0 0 0 538 120.229 1.943 9.242 1 U 4.650000E+06 0.000000E+00 e 0 0 0 0 539 120.214 1.729 9.236 1 U 2.740000E+06 0.000000E+00 e 0 0 0 0 540 120.076 8.357 9.243 1 U 1.690000E+06 0.000000E+00 e 0 0 0 0 541 125.636 7.401 9.564 1 U 3.930000E+06 0.000000E+00 e 0 0 0 0 542 125.668 7.010 9.561 1 U 2.070000E+06 0.000000E+00 e 0 0 0 0 543 125.658 4.138 9.558 1 U 4.020000E+06 0.000000E+00 e 0 0 0 0 544 125.638 3.557 9.555 1 U 4.350000E+06 0.000000E+00 e 0 0 0 0 545 125.640 1.290 9.558 1 U 3.120000E+06 0.000000E+00 e 0 0 0 0 546 125.636 0.974 9.561 1 U 1.200000E+07 0.000000E+00 e 0 0 0 0 547 125.624 0.768 9.562 1 U 2.660000E+06 0.000000E+00 e 0 0 0 0 548 122.676 3.836 7.384 1 U 1.620000E+06 0.000000E+00 e 0 0 0 0 549 122.688 0.792 7.400 1 U 3.220000E+06 0.000000E+00 e 0 0 0 0 550 122.565 7.801 7.401 1 U 1.150000E+07 0.000000E+00 e 0 0 0 0 551 122.592 7.008 7.401 1 U 4.850000E+06 0.000000E+00 e 0 0 0 0 552 122.547 4.135 7.398 1 U 4.440000E+06 0.000000E+00 e 0 0 0 0 553 122.599 3.844 7.402 1 U 2.130000E+06 0.000000E+00 e 0 0 0 0 554 122.600 3.631 7.397 1 U 9.900000E+06 0.000000E+00 e 0 0 0 0 555 122.620 2.639 7.397 1 U 3.450000E+06 0.000000E+00 e 0 0 0 0 556 122.586 0.976 7.399 1 U 1.730000E+07 0.000000E+00 e 0 0 0 0 557 122.461 6.804 7.401 1 U 2.130000E+06 0.000000E+00 e 0 0 0 0 558 115.322 1.970 7.801 1 U 2.910000E+06 0.000000E+00 e 0 0 0 0 559 115.342 0.795 7.787 1 U 3.300000E+06 0.000000E+00 e 0 0 0 0 560 115.218 7.399 7.794 1 U 9.240000E+06 0.000000E+00 e 0 0 0 0 561 115.244 7.011 7.795 1 U 4.100000E+06 0.000000E+00 e 0 0 0 0 562 115.267 3.858 7.793 1 U 9.340000E+06 0.000000E+00 e 0 0 0 0 563 115.253 2.372 7.796 1 U 8.900000E+06 0.000000E+00 e 0 0 0 0 564 115.275 2.113 7.795 1 U 7.040000E+06 0.000000E+00 e 0 0 0 0 565 115.251 1.505 7.795 1 U 2.590000E+06 0.000000E+00 e 0 0 0 0 566 115.213 0.972 7.790 1 U 3.230000E+06 0.000000E+00 e 0 0 0 0 567 112.837 7.023 7.677 1 U 7.010000E+07 0.000000E+00 e 0 0 0 0 568 112.703 0.803 7.677 1 U 3.760000E+06 0.000000E+00 e 0 0 0 0 569 112.826 7.679 7.022 1 U 7.290000E+07 0.000000E+00 e 0 0 0 0 570 112.815 2.391 7.025 1 U 1.760000E+06 0.000000E+00 e 0 0 0 0 571 112.783 0.800 7.022 1 U 4.530000E+06 0.000000E+00 e 0 0 0 0 572 116.043 3.389 8.377 1 U 1.720000E+06 0.000000E+00 e 0 0 0 0 573 124.733 8.395 8.090 1 U 1.250000E+07 0.000000E+00 e 0 0 0 0 574 124.746 7.828 8.091 1 U 1.660000E+07 0.000000E+00 e 0 0 0 0 575 124.762 7.501 8.091 1 U 4.400000E+06 0.000000E+00 e 0 0 0 0 576 124.752 4.236 8.091 1 U 1.020000E+07 0.000000E+00 e 0 0 0 0 577 124.743 2.396 8.095 1 U 1.790000E+06 0.000000E+00 e 0 0 0 0 578 124.796 1.531 8.095 1 U 3.480000E+06 0.000000E+00 e 0 0 0 0 579 124.756 -0.550 8.091 1 U 6.530000E+06 0.000000E+00 e 0 0 0 0 580 124.684 3.868 8.091 1 U 5.240000E+06 0.000000E+00 e 0 0 0 0 581 118.493 0.989 7.839 1 U 1.430000E+07 0.000000E+00 e 0 0 0 0 582 118.478 8.099 7.833 1 U 1.790000E+07 0.000000E+00 e 0 0 0 0 583 118.484 3.834 7.833 1 U 2.050000E+07 0.000000E+00 e 0 0 0 0 584 118.457 3.374 7.827 1 U 4.820000E+06 0.000000E+00 e 0 0 0 0 585 118.454 1.629 7.834 1 U 2.390000E+07 0.000000E+00 e 0 0 0 0 586 118.424 1.316 7.834 1 U 2.530000E+07 0.000000E+00 e 0 0 0 0 587 118.423 -0.061 7.834 1 U 4.580000E+06 0.000000E+00 e 0 0 0 0 588 118.362 -0.539 7.831 1 U 2.640000E+06 0.000000E+00 e 0 0 0 0 589 120.688 7.984 7.830 1 U 2.750000E+07 0.000000E+00 e 0 0 0 0 590 120.681 3.864 7.830 1 U 1.580000E+07 0.000000E+00 e 0 0 0 0 591 120.780 3.397 7.836 1 U 1.860000E+06 0.000000E+00 e 0 0 0 0 592 120.705 0.982 7.831 1 U 1.180000E+07 0.000000E+00 e 0 0 0 0 593 120.719 0.795 7.830 1 U 3.140000E+06 0.000000E+00 e 0 0 0 0 594 120.660 4.149 7.830 1 U 2.290000E+07 0.000000E+00 e 0 0 0 0 595 120.665 1.508 7.829 1 U 5.760000E+07 0.000000E+00 e 0 0 0 0 596 120.894 7.277 7.964 1 U 1.830000E+06 0.000000E+00 e 0 0 0 0 597 120.794 3.876 7.966 1 U 1.860000E+07 0.000000E+00 e 0 0 0 0 598 120.894 3.079 7.976 1 U 1.570000E+06 0.000000E+00 e 0 0 0 0 599 120.839 2.200 7.967 1 U 3.910000E+06 0.000000E+00 e 0 0 0 0 600 120.804 1.695 7.966 1 U 4.130000E+06 0.000000E+00 e 0 0 0 0 601 120.796 0.993 7.967 1 U 1.400000E+07 0.000000E+00 e 0 0 0 0 602 120.771 7.826 7.966 1 U 2.940000E+07 0.000000E+00 e 0 0 0 0 603 120.750 4.164 7.966 1 U 1.120000E+07 0.000000E+00 e 0 0 0 0 604 120.784 2.057 7.967 1 U 3.350000E+06 0.000000E+00 e 0 0 0 0 605 120.764 1.523 7.966 1 U 6.230000E+07 0.000000E+00 e 0 0 0 0 606 119.115 6.994 8.462 1 U 2.540000E+06 0.000000E+00 e 0 0 0 0 607 119.048 1.920 8.471 1 U 2.040000E+06 0.000000E+00 e 0 0 0 0 608 118.943 4.171 8.470 1 U 1.440000E+07 0.000000E+00 e 0 0 0 0 609 118.985 1.698 8.470 1 U 2.730000E+06 0.000000E+00 e 0 0 0 0 610 118.945 0.991 8.470 1 U 5.290000E+06 0.000000E+00 e 0 0 0 0 611 118.899 7.968 8.470 1 U 1.710000E+07 0.000000E+00 e 0 0 0 0 612 118.880 7.821 8.471 1 U 6.630000E+06 0.000000E+00 e 0 0 0 0 613 118.882 3.833 8.470 1 U 9.610000E+06 0.000000E+00 e 0 0 0 0 614 118.897 3.457 8.469 1 U 1.850000E+07 0.000000E+00 e 0 0 0 0 615 118.840 1.889 8.466 1 U 2.000000E+06 0.000000E+00 e 0 0 0 0 616 118.895 1.535 8.470 1 U 1.830000E+07 0.000000E+00 e 0 0 0 0 617 118.855 -0.545 8.471 1 U 1.690000E+06 0.000000E+00 e 0 0 0 0 618 118.666 8.465 8.751 1 U 1.630000E+07 0.000000E+00 e 0 0 0 0 619 118.671 6.989 8.751 1 U 4.150000E+06 0.000000E+00 e 0 0 0 0 620 118.635 3.775 8.752 1 U 1.910000E+07 0.000000E+00 e 0 0 0 0 621 118.629 3.458 8.752 1 U 1.130000E+07 0.000000E+00 e 0 0 0 0 622 118.631 2.978 8.752 1 U 6.850000E+06 0.000000E+00 e 0 0 0 0 623 119.505 7.424 7.834 1 U 2.300000E+06 0.000000E+00 e 0 0 0 0 624 119.292 8.754 7.834 1 U 1.680000E+07 0.000000E+00 e 0 0 0 0 625 119.297 4.024 7.833 1 U 2.100000E+07 0.000000E+00 e 0 0 0 0 626 119.297 1.942 7.834 1 U 4.310000E+07 0.000000E+00 e 0 0 0 0 627 119.256 3.117 7.832 1 U 4.710000E+06 0.000000E+00 e 0 0 0 0 628 119.228 2.596 7.833 1 U 5.310000E+06 0.000000E+00 e 0 0 0 0 629 119.195 1.704 7.833 1 U 1.710000E+07 0.000000E+00 e 0 0 0 0 630 119.140 8.473 7.838 1 U 3.630000E+06 0.000000E+00 e 0 0 0 0 631 119.123 7.831 7.833 1 U 1.970000E+08 0.000000E+00 e 0 0 0 0 632 116.014 7.439 7.702 1 U 2.350000E+07 0.000000E+00 e 0 0 0 0 633 115.979 7.018 7.701 1 U 4.220000E+06 0.000000E+00 e 0 0 0 0 634 115.989 4.360 7.703 1 U 2.470000E+06 0.000000E+00 e 0 0 0 0 635 116.010 4.108 7.702 1 U 2.870000E+07 0.000000E+00 e 0 0 0 0 636 116.001 2.153 7.702 1 U 3.620000E+07 0.000000E+00 e 0 0 0 0 637 116.004 1.883 7.702 1 U 3.610000E+07 0.000000E+00 e 0 0 0 0 638 116.008 1.710 7.703 1 U 1.170000E+07 0.000000E+00 e 0 0 0 0 639 115.946 1.022 7.702 1 U 4.210000E+06 0.000000E+00 e 0 0 0 0 640 114.347 7.698 7.032 1 U 6.350000E+06 0.000000E+00 e 0 0 0 0 641 114.341 4.098 7.032 1 U 3.390000E+06 0.000000E+00 e 0 0 0 0 642 114.229 2.178 7.032 1 U 1.810000E+07 0.000000E+00 e 0 0 0 0 643 114.283 1.891 7.033 1 U 8.190000E+06 0.000000E+00 e 0 0 0 0 644 114.283 1.699 7.032 1 U 2.960000E+06 0.000000E+00 e 0 0 0 0 645 114.166 1.048 7.035 1 U 2.840000E+06 0.000000E+00 e 0 0 0 0 646 114.468 1.047 6.996 1 U 2.330000E+06 0.000000E+00 e 0 0 0 0 647 114.371 7.680 6.988 1 U 3.950000E+06 0.000000E+00 e 0 0 0 0 648 114.442 3.760 6.996 1 U 1.700000E+06 0.000000E+00 e 0 0 0 0 649 114.262 7.776 6.989 1 U 4.790000E+06 0.000000E+00 e 0 0 0 0 650 114.256 4.121 6.987 1 U 3.230000E+06 0.000000E+00 e 0 0 0 0 651 114.262 1.892 6.988 1 U 5.020000E+06 0.000000E+00 e 0 0 0 0 652 114.304 1.708 6.987 1 U 2.690000E+06 0.000000E+00 e 0 0 0 0 653 114.294 1.034 6.990 1 U 2.430000E+06 0.000000E+00 e 0 0 0 0 654 122.145 4.357 7.445 1 U 3.240000E+07 0.000000E+00 e 0 0 0 0 655 122.144 4.095 7.445 1 U 1.910000E+07 0.000000E+00 e 0 0 0 0 656 122.140 2.133 7.447 1 U 9.220000E+06 0.000000E+00 e 0 0 0 0 657 122.154 1.886 7.445 1 U 1.080000E+07 0.000000E+00 e 0 0 0 0 658 122.116 1.718 7.447 1 U 5.970000E+06 0.000000E+00 e 0 0 0 0 659 126.441 4.355 7.449 1 U 2.330000E+07 0.000000E+00 e 0 0 0 0 660 126.437 4.117 7.449 1 U 3.110000E+07 0.000000E+00 e 0 0 0 0 661 126.441 1.711 7.449 1 U 5.260000E+07 0.000000E+00 e 0 0 0 0 ; 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 . . N 15 N . . 1418.017 Hz . . . 118.000 . . 30765 4 2 . . H 1 HN . . 7978.723 Hz . . . 4.776 . . 30765 4 3 . . H 1 H . . 5995.204 Hz . . . 4.776 . . 30765 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 30765 _Spectral_peak_list.ID 5 _Spectral_peak_list.Name . _Spectral_peak_list.Sample_ID 2 _Spectral_peak_list.Sample_label $sample_2 _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 13 _Spectral_peak_list.Experiment_name '3D 1H-15N NOESY' _Spectral_peak_list.Experiment_class . _Spectral_peak_list.Experiment_type . _Spectral_peak_list.Number_of_spectral_dimensions 3 _Spectral_peak_list.Chemical_shift_list . _Spectral_peak_list.Assigned_chem_shift_list_ID 1 _Spectral_peak_list.Assigned_chem_shift_list_label $assigned_chemical_shifts_1 _Spectral_peak_list.Details . _Spectral_peak_list.Text_data_format text _Spectral_peak_list.Text_data ; # Number of dimensions 3 # Number of peaks 419 #FORMAT xeasy3D #INAME 1 N #INAME 2 H #INAME 3 HN #SPECTRUM N15NOESY N H HN 1 123.652 2.781 8.329 1 U 8.560000E+06 0.000000E+00 e 0 0 0 0 2 123.628 2.044 8.312 1 U 1.670000E+07 0.000000E+00 e 0 0 0 0 3 123.625 1.914 8.311 1 U 1.630000E+07 0.000000E+00 e 0 0 0 0 4 123.613 4.441 8.311 1 U 8.700000E+07 0.000000E+00 e 0 0 0 0 5 123.614 2.781 8.311 1 U 3.950000E+07 0.000000E+00 e 0 0 0 0 6 121.116 8.002 8.387 1 U 5.980000E+07 0.000000E+00 e 0 0 0 0 7 121.136 7.999 8.382 1 U 5.820000E+07 0.000000E+00 e 0 0 0 0 8 121.130 3.790 8.387 1 U 2.880000E+07 0.000000E+00 e 0 0 0 0 9 121.123 3.794 8.382 1 U 2.840000E+07 0.000000E+00 e 0 0 0 0 10 121.093 2.806 8.381 1 U 9.240000E+06 0.000000E+00 e 0 0 0 0 11 121.084 1.714 8.382 1 U 1.230000E+08 0.000000E+00 e 0 0 0 0 12 121.079 8.386 8.387 1 U 4.800000E+09 0.000000E+00 e 0 0 0 0 13 121.034 2.297 8.388 1 U 1.730000E+07 0.000000E+00 e 0 0 0 0 14 121.078 1.716 8.387 1 U 1.320000E+08 0.000000E+00 e 0 0 0 0 15 121.026 0.897 8.388 1 U 1.590000E+07 0.000000E+00 e 0 0 0 0 16 121.071 0.912 8.381 1 U 1.680000E+07 0.000000E+00 e 0 0 0 0 17 116.597 1.991 7.982 1 U 9.740000E+06 0.000000E+00 e 0 0 0 0 18 116.466 8.366 7.981 1 U 6.800000E+07 0.000000E+00 e 0 0 0 0 19 116.424 8.368 7.976 1 U 6.530000E+07 0.000000E+00 e 0 0 0 0 20 116.438 7.980 7.982 1 U 3.850000E+09 0.000000E+00 e 0 0 0 0 21 116.419 7.979 7.977 1 U 3.580000E+09 0.000000E+00 e 0 0 0 0 22 116.433 4.196 7.981 1 U 7.570000E+07 0.000000E+00 e 0 0 0 0 23 116.426 4.197 7.976 1 U 7.600000E+07 0.000000E+00 e 0 0 0 0 24 116.436 3.787 7.982 1 U 1.310000E+07 0.000000E+00 e 0 0 0 0 25 116.495 2.782 7.981 1 U 8.750000E+06 0.000000E+00 e 0 0 0 0 26 116.500 1.725 7.980 1 U 2.230000E+07 0.000000E+00 e 0 0 0 0 27 116.444 1.587 7.976 1 U 3.330000E+07 0.000000E+00 e 0 0 0 0 28 116.350 3.818 7.973 1 U 1.300000E+07 0.000000E+00 e 0 0 0 0 29 116.346 2.773 7.976 1 U 9.970000E+06 0.000000E+00 e 0 0 0 0 30 120.242 2.290 8.413 1 U 2.680000E+07 0.000000E+00 e 0 0 0 0 31 125.439 4.549 8.306 1 U 9.200000E+07 0.000000E+00 e 0 0 0 0 32 125.410 0.923 8.316 1 U 8.250000E+06 0.000000E+00 e 0 0 0 0 33 125.199 8.315 8.315 1 U 3.380000E+09 0.000000E+00 e 0 0 0 0 34 125.202 1.211 8.314 1 U 8.650000E+06 0.000000E+00 e 0 0 0 0 35 125.195 0.907 8.316 1 U 9.310000E+06 0.000000E+00 e 0 0 0 0 36 125.126 4.260 8.317 1 U 3.380000E+08 0.000000E+00 e 0 0 0 0 37 125.128 4.105 8.314 1 U 1.460000E+07 0.000000E+00 e 0 0 0 0 38 125.115 2.263 8.317 1 U 2.730000E+07 0.000000E+00 e 0 0 0 0 39 125.126 2.031 8.317 1 U 5.870000E+07 0.000000E+00 e 0 0 0 0 40 125.139 1.913 8.317 1 U 3.890000E+07 0.000000E+00 e 0 0 0 0 41 125.127 1.370 8.317 1 U 2.360000E+08 0.000000E+00 e 0 0 0 0 42 115.011 4.342 8.371 1 U 1.420000E+08 0.000000E+00 e 0 0 0 0 43 114.996 3.912 8.371 1 U 7.770000E+07 0.000000E+00 e 0 0 0 0 44 114.840 2.123 8.376 1 U 1.190000E+07 0.000000E+00 e 0 0 0 0 45 122.335 4.342 8.327 1 U 1.570000E+08 0.000000E+00 e 0 0 0 0 46 122.376 3.913 8.326 1 U 3.540000E+07 0.000000E+00 e 0 0 0 0 47 122.312 2.112 8.327 1 U 4.640000E+07 0.000000E+00 e 0 0 0 0 48 122.330 1.990 8.327 1 U 9.640000E+07 0.000000E+00 e 0 0 0 0 49 116.335 2.807 8.234 1 U 8.270000E+06 0.000000E+00 e 0 0 0 0 50 116.192 8.235 8.235 1 U 7.000000E+08 0.000000E+00 e 0 0 0 0 51 116.191 3.903 8.235 1 U 6.970000E+07 0.000000E+00 e 0 0 0 0 52 116.146 2.287 8.235 1 U 1.220000E+07 0.000000E+00 e 0 0 0 0 53 116.184 2.109 8.234 1 U 2.130000E+07 0.000000E+00 e 0 0 0 0 54 116.173 1.994 8.238 1 U 1.380000E+07 0.000000E+00 e 0 0 0 0 55 116.115 0.951 8.233 1 U 9.120000E+06 0.000000E+00 e 0 0 0 0 56 121.451 4.439 8.069 1 U 1.150000E+08 0.000000E+00 e 0 0 0 0 57 121.391 3.904 8.069 1 U 6.180000E+07 0.000000E+00 e 0 0 0 0 58 121.395 2.121 8.069 1 U 1.410000E+08 0.000000E+00 e 0 0 0 0 59 121.367 4.054 8.068 1 U 8.260000E+07 0.000000E+00 e 0 0 0 0 60 121.374 0.950 8.069 1 U 1.600000E+08 0.000000E+00 e 0 0 0 0 61 121.113 7.601 8.063 1 U 1.360000E+07 0.000000E+00 e 0 0 0 0 62 120.624 8.343 8.342 1 U 5.510000E+08 0.000000E+00 e 0 0 0 0 63 120.572 4.217 8.341 1 U 2.280000E+07 0.000000E+00 e 0 0 0 0 64 120.568 4.052 8.341 1 U 7.140000E+07 0.000000E+00 e 0 0 0 0 65 120.549 2.772 8.341 1 U 7.080000E+07 0.000000E+00 e 0 0 0 0 66 120.550 2.120 8.340 1 U 3.470000E+07 0.000000E+00 e 0 0 0 0 67 120.528 0.945 8.344 1 U 3.240000E+07 0.000000E+00 e 0 0 0 0 68 112.788 4.305 7.610 1 U 1.320000E+07 0.000000E+00 e 0 0 0 0 69 112.763 0.925 7.612 1 U 1.370000E+07 0.000000E+00 e 0 0 0 0 70 112.717 7.612 7.611 1 U 1.900000E+09 0.000000E+00 e 0 0 0 0 71 112.750 6.912 7.611 1 U 1.070000E+09 0.000000E+00 e 0 0 0 0 72 112.715 2.775 7.612 1 U 7.940000E+07 0.000000E+00 e 0 0 0 0 73 112.764 7.611 6.911 1 U 1.210000E+09 0.000000E+00 e 0 0 0 0 74 112.767 4.780 6.911 1 U 1.480000E+08 0.000000E+00 e 0 0 0 0 75 112.806 4.282 6.910 1 U 8.500000E+06 0.000000E+00 e 0 0 0 0 76 112.758 2.776 6.911 1 U 4.040000E+07 0.000000E+00 e 0 0 0 0 77 112.767 0.896 6.930 1 U 9.440000E+06 0.000000E+00 e 0 0 0 0 78 112.746 6.912 6.911 1 U 2.850000E+09 0.000000E+00 e 0 0 0 0 79 112.673 2.815 6.927 1 U 4.320000E+07 0.000000E+00 e 0 0 0 0 80 112.744 0.934 6.911 1 U 1.330000E+07 0.000000E+00 e 0 0 0 0 81 112.636 7.638 6.928 1 U 9.520000E+08 0.000000E+00 e 0 0 0 0 82 112.594 6.927 6.928 1 U 2.310000E+09 0.000000E+00 e 0 0 0 0 83 112.640 4.782 6.927 1 U 1.010000E+08 0.000000E+00 e 0 0 0 0 84 119.286 0.901 8.257 1 U 9.110000E+06 0.000000E+00 e 0 0 0 0 85 119.200 8.255 8.255 1 U 1.620000E+08 0.000000E+00 e 0 0 0 0 86 119.250 8.009 8.255 1 U 2.110000E+07 0.000000E+00 e 0 0 0 0 87 119.193 2.813 8.256 1 U 6.690000E+07 0.000000E+00 e 0 0 0 0 88 112.598 7.639 7.639 1 U 1.670000E+09 0.000000E+00 e 0 0 0 0 89 112.635 6.927 7.639 1 U 9.610000E+08 0.000000E+00 e 0 0 0 0 90 112.609 2.816 7.639 1 U 8.920000E+07 0.000000E+00 e 0 0 0 0 91 121.011 1.663 8.017 1 U 2.450000E+07 0.000000E+00 e 0 0 0 0 92 120.947 8.016 8.015 1 U 2.490000E+09 0.000000E+00 e 0 0 0 0 93 120.957 4.670 8.016 1 U 1.660000E+08 0.000000E+00 e 0 0 0 0 94 120.962 4.049 8.016 1 U 1.190000E+08 0.000000E+00 e 0 0 0 0 95 120.951 2.817 8.016 1 U 7.310000E+07 0.000000E+00 e 0 0 0 0 96 120.958 1.916 8.016 1 U 2.040000E+08 0.000000E+00 e 0 0 0 0 97 120.962 1.496 8.015 1 U 1.030000E+08 0.000000E+00 e 0 0 0 0 98 123.603 8.132 8.132 1 U 2.270000E+09 0.000000E+00 e 0 0 0 0 99 123.607 4.270 8.132 1 U 1.130000E+08 0.000000E+00 e 0 0 0 0 100 123.545 2.820 8.134 1 U 1.150000E+07 0.000000E+00 e 0 0 0 0 101 123.604 1.915 8.133 1 U 8.060000E+07 0.000000E+00 e 0 0 0 0 102 123.597 1.682 8.132 1 U 2.230000E+08 0.000000E+00 e 0 0 0 0 103 123.473 2.802 8.128 1 U 1.040000E+07 0.000000E+00 e 0 0 0 0 104 121.046 2.836 8.057 1 U 8.360000E+06 0.000000E+00 e 0 0 0 0 105 120.892 1.843 8.069 1 U 1.570000E+08 0.000000E+00 e 0 0 0 0 106 120.867 4.294 8.070 1 U 2.960000E+08 0.000000E+00 e 0 0 0 0 107 120.752 8.074 8.072 1 U 5.100000E+09 0.000000E+00 e 0 0 0 0 108 120.710 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0.000000E+00 e 0 0 0 0 124 112.089 6.852 7.480 1 U 1.300000E+09 0.000000E+00 e 0 0 0 0 125 111.854 4.280 7.482 1 U 9.020000E+06 0.000000E+00 e 0 0 0 0 126 112.327 4.778 6.834 1 U 1.370000E+07 0.000000E+00 e 0 0 0 0 127 112.099 7.481 6.853 1 U 1.250000E+09 0.000000E+00 e 0 0 0 0 128 112.092 6.852 6.853 1 U 3.380000E+09 0.000000E+00 e 0 0 0 0 129 112.109 2.380 6.853 1 U 3.000000E+07 0.000000E+00 e 0 0 0 0 130 112.009 2.019 6.856 1 U 9.600000E+06 0.000000E+00 e 0 0 0 0 131 116.454 4.333 8.276 1 U 1.180000E+07 0.000000E+00 e 0 0 0 0 132 116.346 4.327 8.297 1 U 3.220000E+07 0.000000E+00 e 0 0 0 0 133 116.293 3.907 8.292 1 U 1.640000E+07 0.000000E+00 e 0 0 0 0 134 110.757 4.242 8.338 1 U 1.980000E+07 0.000000E+00 e 0 0 0 0 135 110.773 3.946 8.341 1 U 4.100000E+07 0.000000E+00 e 0 0 0 0 136 110.616 3.940 8.324 1 U 1.450000E+07 0.000000E+00 e 0 0 0 0 137 123.665 1.721 8.093 1 U 9.480000E+06 0.000000E+00 e 0 0 0 0 138 123.546 4.284 8.108 1 U 5.210000E+07 0.000000E+00 e 0 0 0 0 139 123.552 3.950 8.108 1 U 5.670000E+07 0.000000E+00 e 0 0 0 0 140 123.545 1.315 8.107 1 U 8.210000E+07 0.000000E+00 e 0 0 0 0 141 123.482 1.712 8.096 1 U 9.670000E+06 0.000000E+00 e 0 0 0 0 142 119.905 8.146 8.145 1 U 6.110000E+08 0.000000E+00 e 0 0 0 0 143 119.890 7.284 8.144 1 U 2.750000E+07 0.000000E+00 e 0 0 0 0 144 119.920 4.297 8.145 1 U 1.320000E+08 0.000000E+00 e 0 0 0 0 145 119.911 1.313 8.145 1 U 5.870000E+07 0.000000E+00 e 0 0 0 0 146 119.803 4.153 8.142 1 U 1.050000E+07 0.000000E+00 e 0 0 0 0 147 119.668 2.859 8.154 1 U 1.140000E+07 0.000000E+00 e 0 0 0 0 148 119.671 2.840 8.148 1 U 1.120000E+07 0.000000E+00 e 0 0 0 0 149 129.856 4.277 10.218 1 U 1.040000E+07 0.000000E+00 e 0 0 0 0 150 129.765 1.425 10.215 1 U 9.730000E+06 0.000000E+00 e 0 0 0 0 151 129.662 4.271 10.224 1 U 9.440000E+06 0.000000E+00 e 0 0 0 0 152 117.313 3.715 8.091 1 U 8.390000E+06 0.000000E+00 e 0 0 0 0 153 117.127 3.769 8.084 1 U 9.530000E+06 0.000000E+00 e 0 0 0 0 154 117.214 3.266 8.093 1 U 9.370000E+06 0.000000E+00 e 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1.120000E+07 0.000000E+00 e 0 0 0 0 171 116.708 4.327 8.095 1 U 6.180000E+07 0.000000E+00 e 0 0 0 0 172 116.641 1.957 8.098 1 U 8.300000E+07 0.000000E+00 e 0 0 0 0 173 116.673 1.430 8.097 1 U 2.100000E+07 0.000000E+00 e 0 0 0 0 174 116.684 0.889 8.099 1 U 3.130000E+07 0.000000E+00 e 0 0 0 0 175 116.593 4.096 8.096 1 U 2.770000E+07 0.000000E+00 e 0 0 0 0 176 116.451 7.499 8.097 1 U 1.100000E+07 0.000000E+00 e 0 0 0 0 177 118.525 1.428 7.892 1 U 8.300000E+06 0.000000E+00 e 0 0 0 0 178 118.391 7.897 7.897 1 U 7.190000E+08 0.000000E+00 e 0 0 0 0 179 118.347 0.874 7.895 1 U 1.790000E+07 0.000000E+00 e 0 0 0 0 180 118.288 8.106 7.898 1 U 1.020000E+08 0.000000E+00 e 0 0 0 0 181 118.300 2.566 7.898 1 U 4.560000E+07 0.000000E+00 e 0 0 0 0 182 118.283 2.429 7.897 1 U 4.870000E+07 0.000000E+00 e 0 0 0 0 183 118.302 1.072 7.915 1 U 1.020000E+07 0.000000E+00 e 0 0 0 0 184 118.168 4.543 7.898 1 U 1.750000E+07 0.000000E+00 e 0 0 0 0 185 118.164 1.052 7.898 1 U 1.570000E+07 0.000000E+00 e 0 0 0 0 186 111.134 2.720 7.487 1 U 8.640000E+06 0.000000E+00 e 0 0 0 0 187 111.151 2.424 7.484 1 U 2.760000E+07 0.000000E+00 e 0 0 0 0 188 111.057 2.202 7.484 1 U 2.230000E+07 0.000000E+00 e 0 0 0 0 189 111.224 1.580 6.843 1 U 8.750000E+06 0.000000E+00 e 0 0 0 0 190 111.065 7.484 6.843 1 U 5.900000E+08 0.000000E+00 e 0 0 0 0 191 111.062 2.429 6.843 1 U 1.870000E+07 0.000000E+00 e 0 0 0 0 192 111.057 2.201 6.842 1 U 1.320000E+07 0.000000E+00 e 0 0 0 0 193 110.979 2.715 6.844 1 U 1.120000E+07 0.000000E+00 e 0 0 0 0 194 117.046 7.474 8.181 1 U 9.460000E+06 0.000000E+00 e 0 0 0 0 195 117.063 4.316 8.188 1 U 1.040000E+07 0.000000E+00 e 0 0 0 0 196 117.024 1.966 8.188 1 U 9.900000E+06 0.000000E+00 e 0 0 0 0 197 116.929 7.692 8.186 1 U 9.190000E+06 0.000000E+00 e 0 0 0 0 198 116.926 7.467 8.189 1 U 1.110000E+07 0.000000E+00 e 0 0 0 0 199 116.958 6.951 8.185 1 U 5.640000E+07 0.000000E+00 e 0 0 0 0 200 116.966 4.027 8.185 1 U 9.960000E+07 0.000000E+00 e 0 0 0 0 201 117.017 2.670 8.183 1 U 1.260000E+07 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6.953 1 U 8.480000E+07 0.000000E+00 e 0 0 0 0 218 120.089 3.270 6.953 1 U 8.540000E+07 0.000000E+00 e 0 0 0 0 219 120.075 3.110 6.954 1 U 6.140000E+07 0.000000E+00 e 0 0 0 0 220 120.108 1.638 6.953 1 U 4.930000E+07 0.000000E+00 e 0 0 0 0 221 120.163 0.859 6.935 1 U 1.340000E+07 0.000000E+00 e 0 0 0 0 222 120.061 1.402 6.938 1 U 9.480000E+06 0.000000E+00 e 0 0 0 0 223 120.023 1.373 6.953 1 U 1.770000E+07 0.000000E+00 e 0 0 0 0 224 130.122 3.275 10.555 1 U 1.090000E+07 0.000000E+00 e 0 0 0 0 225 130.088 3.276 10.563 1 U 9.710000E+06 0.000000E+00 e 0 0 0 0 226 129.993 7.599 10.556 1 U 6.780000E+07 0.000000E+00 e 0 0 0 0 227 129.991 7.467 10.557 1 U 1.360000E+08 0.000000E+00 e 0 0 0 0 228 129.991 6.949 10.556 1 U 2.360000E+07 0.000000E+00 e 0 0 0 0 229 129.999 3.117 10.557 1 U 8.310000E+06 0.000000E+00 e 0 0 0 0 230 129.991 2.624 10.556 1 U 3.410000E+07 0.000000E+00 e 0 0 0 0 231 129.912 7.069 10.558 1 U 8.330000E+06 0.000000E+00 e 0 0 0 0 232 117.160 1.068 7.678 1 U 1.370000E+07 0.000000E+00 e 0 0 0 0 233 117.020 3.524 7.666 1 U 4.470000E+07 0.000000E+00 e 0 0 0 0 234 117.038 3.269 7.667 1 U 4.740000E+07 0.000000E+00 e 0 0 0 0 235 117.028 1.618 7.670 1 U 1.150000E+07 0.000000E+00 e 0 0 0 0 236 117.005 8.552 7.668 1 U 6.760000E+07 0.000000E+00 e 0 0 0 0 237 117.008 8.178 7.663 1 U 1.050000E+07 0.000000E+00 e 0 0 0 0 238 116.992 8.173 7.679 1 U 8.260000E+06 0.000000E+00 e 0 0 0 0 239 117.003 6.954 7.666 1 U 7.810000E+07 0.000000E+00 e 0 0 0 0 240 116.946 4.295 7.663 1 U 8.610000E+06 0.000000E+00 e 0 0 0 0 241 117.012 4.001 7.667 1 U 5.610000E+07 0.000000E+00 e 0 0 0 0 242 117.014 3.113 7.667 1 U 3.680000E+07 0.000000E+00 e 0 0 0 0 243 116.975 1.414 7.667 1 U 1.150000E+07 0.000000E+00 e 0 0 0 0 244 116.997 1.084 7.673 1 U 1.340000E+07 0.000000E+00 e 0 0 0 0 245 116.989 1.079 7.665 1 U 1.440000E+07 0.000000E+00 e 0 0 0 0 246 117.000 1.073 7.659 1 U 1.430000E+07 0.000000E+00 e 0 0 0 0 247 117.011 0.847 7.668 1 U 1.330000E+08 0.000000E+00 e 0 0 0 0 248 116.837 8.198 7.670 1 U 9.110000E+06 0.000000E+00 e 0 0 0 0 249 118.517 6.763 8.552 1 U 8.430000E+06 0.000000E+00 e 0 0 0 0 250 118.348 8.183 8.560 1 U 1.170000E+07 0.000000E+00 e 0 0 0 0 251 118.397 7.693 8.556 1 U 8.210000E+07 0.000000E+00 e 0 0 0 0 252 118.382 6.956 8.555 1 U 1.140000E+07 0.000000E+00 e 0 0 0 0 253 118.379 4.018 8.556 1 U 1.050000E+08 0.000000E+00 e 0 0 0 0 254 118.414 3.527 8.557 1 U 2.250000E+07 0.000000E+00 e 0 0 0 0 255 118.391 3.234 8.537 1 U 9.070000E+06 0.000000E+00 e 0 0 0 0 256 118.387 1.975 8.556 1 U 1.580000E+08 0.000000E+00 e 0 0 0 0 257 118.412 0.828 8.556 1 U 5.460000E+07 0.000000E+00 e 0 0 0 0 258 117.249 3.511 7.744 1 U 8.780000E+06 0.000000E+00 e 0 0 0 0 259 117.228 0.951 7.741 1 U 4.630000E+07 0.000000E+00 e 0 0 0 0 260 117.228 0.821 7.736 1 U 1.380000E+07 0.000000E+00 e 0 0 0 0 261 117.211 4.008 7.742 1 U 5.570000E+07 0.000000E+00 e 0 0 0 0 262 117.219 3.793 7.742 1 U 7.490000E+07 0.000000E+00 e 0 0 0 0 263 117.207 3.515 7.758 1 U 8.830000E+06 0.000000E+00 e 0 0 0 0 264 117.151 3.233 7.742 1 U 1.100000E+07 0.000000E+00 e 0 0 0 0 265 117.214 2.175 7.741 1 U 1.540000E+08 0.000000E+00 e 0 0 0 0 266 117.216 1.976 7.742 1 U 9.010000E+07 0.000000E+00 e 0 0 0 0 267 117.211 1.084 7.741 1 U 1.360000E+08 0.000000E+00 e 0 0 0 0 268 117.206 0.811 7.743 1 U 1.220000E+07 0.000000E+00 e 0 0 0 0 269 117.105 8.194 7.744 1 U 1.110000E+07 0.000000E+00 e 0 0 0 0 270 117.071 6.963 7.738 1 U 8.650000E+06 0.000000E+00 e 0 0 0 0 271 118.746 8.552 7.804 1 U 8.200000E+06 0.000000E+00 e 0 0 0 0 272 118.554 7.814 7.816 1 U 5.340000E+08 0.000000E+00 e 0 0 0 0 273 118.552 7.519 7.816 1 U 3.160000E+07 0.000000E+00 e 0 0 0 0 274 118.553 3.790 7.815 1 U 2.710000E+07 0.000000E+00 e 0 0 0 0 275 118.545 1.081 7.817 1 U 3.220000E+07 0.000000E+00 e 0 0 0 0 276 118.557 0.956 7.816 1 U 4.190000E+07 0.000000E+00 e 0 0 0 0 277 118.571 0.758 7.817 1 U 3.740000E+07 0.000000E+00 e 0 0 0 0 278 118.534 8.761 7.816 1 U 6.720000E+07 0.000000E+00 e 0 0 0 0 279 118.523 8.181 7.816 1 U 2.230000E+07 0.000000E+00 e 0 0 0 0 280 118.445 8.089 7.817 1 U 8.840000E+06 0.000000E+00 e 0 0 0 0 281 118.534 8.076 7.812 1 U 1.010000E+07 0.000000E+00 e 0 0 0 0 282 118.540 7.385 7.836 1 U 8.340000E+06 0.000000E+00 e 0 0 0 0 283 118.535 7.398 7.817 1 U 2.800000E+07 0.000000E+00 e 0 0 0 0 284 118.535 7.030 7.815 1 U 3.440000E+07 0.000000E+00 e 0 0 0 0 285 118.541 4.109 7.815 1 U 6.430000E+07 0.000000E+00 e 0 0 0 0 286 118.538 3.427 7.816 1 U 1.450000E+08 0.000000E+00 e 0 0 0 0 287 118.529 2.181 7.816 1 U 7.610000E+07 0.000000E+00 e 0 0 0 0 288 118.514 1.600 7.819 1 U 8.890000E+06 0.000000E+00 e 0 0 0 0 289 118.541 1.307 7.818 1 U 2.090000E+07 0.000000E+00 e 0 0 0 0 290 119.268 7.647 8.765 1 U 1.010000E+07 0.000000E+00 e 0 0 0 0 291 119.270 1.308 8.762 1 U 1.450000E+07 0.000000E+00 e 0 0 0 0 292 119.225 8.763 8.764 1 U 3.570000E+08 0.000000E+00 e 0 0 0 0 293 119.228 8.182 8.764 1 U 6.190000E+07 0.000000E+00 e 0 0 0 0 294 119.239 7.025 8.763 1 U 3.150000E+07 0.000000E+00 e 0 0 0 0 295 119.226 4.028 8.764 1 U 7.670000E+07 0.000000E+00 e 0 0 0 0 296 119.167 3.797 8.763 1 U 8.180000E+06 0.000000E+00 e 0 0 0 0 297 119.236 3.423 8.763 1 U 5.210000E+07 0.000000E+00 e 0 0 0 0 298 119.224 2.033 8.764 1 U 6.850000E+07 0.000000E+00 e 0 0 0 0 299 119.225 1.045 8.764 1 U 4.210000E+07 0.000000E+00 e 0 0 0 0 300 119.237 0.788 8.762 1 U 2.430000E+07 0.000000E+00 e 0 0 0 0 301 119.539 1.427 8.170 1 U 8.580000E+06 0.000000E+00 e 0 0 0 0 302 119.376 8.451 8.181 1 U 1.530000E+07 0.000000E+00 e 0 0 0 0 303 119.357 8.181 8.180 1 U 7.940000E+08 0.000000E+00 e 0 0 0 0 304 119.369 7.641 8.181 1 U 8.350000E+07 0.000000E+00 e 0 0 0 0 305 119.356 4.686 8.181 1 U 8.470000E+07 0.000000E+00 e 0 0 0 0 306 119.357 4.018 8.179 1 U 5.180000E+07 0.000000E+00 e 0 0 0 0 307 119.337 7.806 8.182 1 U 1.940000E+07 0.000000E+00 e 0 0 0 0 308 119.302 2.989 8.177 1 U 1.080000E+07 0.000000E+00 e 0 0 0 0 309 119.334 2.812 8.180 1 U 9.050000E+07 0.000000E+00 e 0 0 0 0 310 119.349 2.725 8.180 1 U 1.220000E+08 0.000000E+00 e 0 0 0 0 311 119.332 2.025 8.180 1 U 4.780000E+07 0.000000E+00 e 0 0 0 0 312 119.337 1.565 8.180 1 U 3.550000E+07 0.000000E+00 e 0 0 0 0 313 119.352 0.927 8.181 1 U 2.140000E+07 0.000000E+00 e 0 0 0 0 314 119.673 4.118 7.625 1 U 8.690000E+06 0.000000E+00 e 0 0 0 0 315 119.605 8.467 7.642 1 U 5.400000E+07 0.000000E+00 e 0 0 0 0 316 119.631 4.115 7.643 1 U 2.270000E+07 0.000000E+00 e 0 0 0 0 317 119.586 3.977 7.642 1 U 2.010000E+08 0.000000E+00 e 0 0 0 0 318 119.567 3.796 7.642 1 U 1.810000E+07 0.000000E+00 e 0 0 0 0 319 119.587 3.049 7.641 1 U 2.550000E+07 0.000000E+00 e 0 0 0 0 320 119.586 1.571 7.642 1 U 7.400000E+07 0.000000E+00 e 0 0 0 0 321 119.439 0.895 7.637 1 U 1.080000E+07 0.000000E+00 e 0 0 0 0 322 107.682 7.642 8.468 1 U 5.240000E+07 0.000000E+00 e 0 0 0 0 323 107.776 2.363 8.471 1 U 8.790000E+06 0.000000E+00 e 0 0 0 0 324 107.692 1.577 8.470 1 U 1.900000E+07 0.000000E+00 e 0 0 0 0 325 107.694 0.960 8.470 1 U 1.980000E+07 0.000000E+00 e 0 0 0 0 326 107.670 7.891 8.467 1 U 4.410000E+07 0.000000E+00 e 0 0 0 0 327 107.645 4.114 8.469 1 U 1.230000E+07 0.000000E+00 e 0 0 0 0 328 107.661 3.960 8.469 1 U 1.840000E+08 0.000000E+00 e 0 0 0 0 329 107.658 3.755 8.469 1 U 1.280000E+08 0.000000E+00 e 0 0 0 0 330 107.600 3.012 8.470 1 U 1.090000E+07 0.000000E+00 e 0 0 0 0 331 107.667 1.835 8.468 1 U 4.120000E+07 0.000000E+00 e 0 0 0 0 332 119.287 1.462 7.893 1 U 8.860000E+06 0.000000E+00 e 0 0 0 0 333 119.196 8.470 7.888 1 U 9.170000E+07 0.000000E+00 e 0 0 0 0 334 119.190 7.889 7.887 1 U 1.050000E+09 0.000000E+00 e 0 0 0 0 335 119.175 4.304 7.888 1 U 9.590000E+07 0.000000E+00 e 0 0 0 0 336 119.193 3.754 7.888 1 U 6.850000E+07 0.000000E+00 e 0 0 0 0 337 119.175 2.345 7.888 1 U 7.440000E+07 0.000000E+00 e 0 0 0 0 338 119.175 1.996 7.888 1 U 1.260000E+08 0.000000E+00 e 0 0 0 0 339 119.150 3.951 7.889 1 U 6.920000E+07 0.000000E+00 e 0 0 0 0 340 119.089 2.138 7.889 1 U 6.750000E+07 0.000000E+00 e 0 0 0 0 341 119.078 0.950 7.893 1 U 9.860000E+06 0.000000E+00 e 0 0 0 0 342 119.042 4.149 7.892 1 U 1.170000E+07 0.000000E+00 e 0 0 0 0 343 112.491 4.289 7.545 1 U 1.450000E+07 0.000000E+00 e 0 0 0 0 344 112.468 1.822 7.542 1 U 8.380000E+06 0.000000E+00 e 0 0 0 0 345 112.430 6.822 7.544 1 U 1.480000E+09 0.000000E+00 e 0 0 0 0 346 112.388 2.344 7.544 1 U 7.380000E+07 0.000000E+00 e 0 0 0 0 347 112.368 2.143 7.548 1 U 8.280000E+06 0.000000E+00 e 0 0 0 0 348 112.354 1.990 7.544 1 U 1.150000E+07 0.000000E+00 e 0 0 0 0 349 112.447 7.543 6.822 1 U 1.560000E+09 0.000000E+00 e 0 0 0 0 350 112.435 6.822 6.822 1 U 3.800000E+09 0.000000E+00 e 0 0 0 0 351 112.438 4.780 6.821 1 U 6.410000E+07 0.000000E+00 e 0 0 0 0 352 112.427 2.349 6.822 1 U 3.390000E+07 0.000000E+00 e 0 0 0 0 353 112.316 2.130 6.827 1 U 8.930000E+06 0.000000E+00 e 0 0 0 0 354 121.773 7.894 8.476 1 U 4.550000E+07 0.000000E+00 e 0 0 0 0 355 121.768 2.266 8.476 1 U 6.830000E+07 0.000000E+00 e 0 0 0 0 356 121.770 2.137 8.476 1 U 5.680000E+07 0.000000E+00 e 0 0 0 0 357 130.579 1.846 7.907 1 U 3.430000E+07 0.000000E+00 e 0 0 0 0 358 130.557 1.849 7.899 1 U 3.420000E+07 0.000000E+00 e 0 0 0 0 359 130.570 1.378 7.907 1 U 4.660000E+07 0.000000E+00 e 0 0 0 0 360 130.550 1.378 7.898 1 U 5.110000E+07 0.000000E+00 e 0 0 0 0 361 130.572 0.910 7.907 1 U 4.000000E+07 0.000000E+00 e 0 0 0 0 362 130.543 0.912 7.898 1 U 4.310000E+07 0.000000E+00 e 0 0 0 0 363 130.387 1.398 7.887 1 U 9.740000E+06 0.000000E+00 e 0 0 0 0 364 123.477 6.973 8.476 1 U 4.230000E+06 0.000000E+00 e 0 0 0 0 365 117.694 3.205 8.441 1 U 1.730000E+06 0.000000E+00 e 0 0 0 0 366 117.010 0.819 7.981 1 U 3.980000E+06 0.000000E+00 e 0 0 0 0 367 122.376 2.166 8.521 1 U 5.500000E+06 0.000000E+00 e 0 0 0 0 368 122.380 0.831 8.523 1 U 9.640000E+06 0.000000E+00 e 0 0 0 0 369 109.391 3.912 7.340 1 U 1.820000E+06 0.000000E+00 e 0 0 0 0 370 118.862 2.307 8.585 1 U 2.330000E+06 0.000000E+00 e 0 0 0 0 371 119.520 2.271 8.286 1 U 1.870000E+06 0.000000E+00 e 0 0 0 0 372 122.561 3.184 9.520 1 U 5.460000E+06 0.000000E+00 e 0 0 0 0 373 122.511 3.432 9.521 1 U 6.090000E+06 0.000000E+00 e 0 0 0 0 374 112.168 1.949 7.611 1 U 1.520000E+07 0.000000E+00 e 0 0 0 0 375 112.709 2.550 7.475 1 U 2.200000E+06 0.000000E+00 e 0 0 0 0 376 121.600 7.584 8.527 1 U 2.760000E+06 0.000000E+00 e 0 0 0 0 377 120.638 1.318 8.953 1 U 2.450000E+06 0.000000E+00 e 0 0 0 0 378 120.724 1.528 7.641 1 U 4.640000E+06 0.000000E+00 e 0 0 0 0 379 116.027 -0.532 8.408 1 U 1.790000E+06 0.000000E+00 e 0 0 0 0 380 121.012 7.255 8.366 1 U 1.660000E+06 0.000000E+00 e 0 0 0 0 381 119.647 1.201 7.460 1 U 4.140000E+06 0.000000E+00 e 0 0 0 0 382 120.272 2.369 9.244 1 U 6.880000E+06 0.000000E+00 e 0 0 0 0 383 122.581 2.002 7.401 1 U 5.050000E+06 0.000000E+00 e 0 0 0 0 384 112.801 7.847 7.023 1 U 3.320000E+06 0.000000E+00 e 0 0 0 0 385 119.110 2.602 8.469 1 U 1.900000E+06 0.000000E+00 e 0 0 0 0 386 118.909 1.353 8.476 1 U 2.250000E+06 0.000000E+00 e 0 0 0 0 387 118.652 2.592 8.752 1 U 1.760000E+07 0.000000E+00 e 0 0 0 0 388 118.656 0.980 8.753 1 U 5.030000E+06 0.000000E+00 e 0 0 0 0 389 114.145 8.506 6.988 1 U 1.620000E+06 0.000000E+00 e 0 0 0 0 390 129.829 1.692 10.217 1 U 2.180000E+07 0.000000E+00 e 0 0 0 0 391 116.648 2.200 8.095 1 U 1.850000E+07 0.000000E+00 e 0 0 0 0 392 116.648 1.832 8.099 1 U 6.860000E+07 0.000000E+00 e 0 0 0 0 393 116.515 4.572 8.102 1 U 1.050000E+07 0.000000E+00 e 0 0 0 0 394 118.334 2.728 7.899 1 U 1.640000E+07 0.000000E+00 e 0 0 0 0 395 118.283 2.205 7.898 1 U 2.040000E+08 0.000000E+00 e 0 0 0 0 396 118.295 1.827 7.892 1 U 1.750000E+07 0.000000E+00 e 0 0 0 0 397 118.145 6.945 7.898 1 U 1.140000E+07 0.000000E+00 e 0 0 0 0 398 111.279 1.948 7.484 1 U 8.790000E+06 0.000000E+00 e 0 0 0 0 399 111.085 1.948 6.843 1 U 8.310000E+06 0.000000E+00 e 0 0 0 0 400 111.114 1.721 6.844 1 U 9.560000E+06 0.000000E+00 e 0 0 0 0 401 120.181 1.988 6.953 1 U 1.120000E+07 0.000000E+00 e 0 0 0 0 402 120.096 1.086 6.953 1 U 5.290000E+07 0.000000E+00 e 0 0 0 0 403 130.107 4.341 10.576 1 U 9.910000E+06 0.000000E+00 e 0 0 0 0 404 130.020 1.079 10.558 1 U 1.540000E+07 0.000000E+00 e 0 0 0 0 405 116.972 1.972 7.666 1 U 2.320000E+07 0.000000E+00 e 0 0 0 0 406 118.406 1.087 8.563 1 U 1.270000E+07 0.000000E+00 e 0 0 0 0 407 118.350 1.081 8.553 1 U 1.410000E+07 0.000000E+00 e 0 0 0 0 408 117.240 7.495 7.743 1 U 1.960000E+07 0.000000E+00 e 0 0 0 0 409 117.239 3.418 7.743 1 U 1.090000E+07 0.000000E+00 e 0 0 0 0 410 117.135 7.381 7.737 1 U 8.380000E+06 0.000000E+00 e 0 0 0 0 411 117.076 3.432 7.738 1 U 1.150000E+07 0.000000E+00 e 0 0 0 0 412 118.579 7.963 7.816 1 U 1.970000E+07 0.000000E+00 e 0 0 0 0 413 118.522 8.575 7.819 1 U 1.310000E+07 0.000000E+00 e 0 0 0 0 414 118.469 1.504 7.818 1 U 9.770000E+06 0.000000E+00 e 0 0 0 0 415 119.116 1.572 8.745 1 U 1.250000E+07 0.000000E+00 e 0 0 0 0 416 119.370 1.058 8.182 1 U 2.050000E+07 0.000000E+00 e 0 0 0 0 417 119.592 1.840 7.643 1 U 1.560000E+08 0.000000E+00 e 0 0 0 0 418 119.149 1.467 7.891 1 U 9.010000E+06 0.000000E+00 e 0 0 0 0 419 121.770 1.915 8.477 1 U 1.360000E+08 0.000000E+00 e 0 0 0 0 ; 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 . . N 15 N . . 2240.29 Hz . . . 119.000 . . 30765 5 2 . . H 1 HN . . 13586.957 Hz . . . 4.780 . . 30765 5 3 . . H 1 H . . 11235.955 Hz . . . 4.780 . . 30765 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 30765 _Spectral_peak_list.ID 6 _Spectral_peak_list.Name . _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 19 _Spectral_peak_list.Experiment_name '3D 1H-13C NOESY filtered-edited' _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 ; # Number of dimensions 3 # Number of peaks 98 #FORMAT xeasy3D #INAME 1 C #INAME 2 H #INAME 3 HC #SPECTRUM C13NOESY C H HC 1 31.810 2.317 2.417 1 U 1.410000E+05 0.000000E+00 e 0 0 0 0 2 31.666 2.308 2.444 1 U 1.480000E+05 0.000000E+00 e 0 0 0 0 3 38.994 2.670 2.852 1 U 2.010000E+05 0.000000E+00 e 0 0 0 0 4 38.991 2.657 2.801 1 U 2.070000E+05 0.000000E+00 e 0 0 0 0 5 59.321 4.198 4.345 1 U 2.830000E+05 0.000000E+00 e 0 0 0 0 6 52.850 4.187 4.337 1 U 5.040000E+05 0.000000E+00 e 0 0 0 0 7 19.149 1.542 1.408 1 U 1.570000E+06 0.000000E+00 e 0 0 0 0 8 19.067 4.762 1.403 1 U 2.330000E+05 0.000000E+00 e 0 0 0 0 9 63.738 3.748 3.884 1 U 1.580000E+06 0.000000E+00 e 0 0 0 0 10 56.845 4.363 4.295 1 U 1.370000E+05 0.000000E+00 e 0 0 0 0 11 56.695 4.170 4.292 1 U 2.390000E+05 0.000000E+00 e 0 0 0 0 12 56.641 4.425 4.300 1 U 1.510000E+05 0.000000E+00 e 0 0 0 0 13 56.526 4.724 4.296 1 U 1.970000E+05 0.000000E+00 e 0 0 0 0 14 32.656 1.663 1.804 1 U 1.220000E+05 0.000000E+00 e 0 0 0 0 15 42.132 4.149 3.006 1 U 1.700000E+05 0.000000E+00 e 0 0 0 0 16 42.060 1.614 2.995 1 U 2.230000E+05 0.000000E+00 e 0 0 0 0 17 42.056 1.413 2.999 1 U 2.280000E+05 0.000000E+00 e 0 0 0 0 18 41.958 7.081 2.986 1 U 1.310000E+05 0.000000E+00 e 0 0 0 0 19 24.799 4.724 1.423 1 U 2.130000E+05 0.000000E+00 e 0 0 0 0 20 24.654 4.721 1.419 1 U 2.160000E+05 0.000000E+00 e 0 0 0 0 21 38.820 1.743 1.893 1 U 1.130000E+05 0.000000E+00 e 0 0 0 0 22 27.584 1.024 1.206 1 U 1.400000E+05 0.000000E+00 e 0 0 0 0 23 17.669 1.073 0.937 1 U 1.420000E+05 0.000000E+00 e 0 0 0 0 24 17.736 0.817 0.919 1 U 2.110000E+05 0.000000E+00 e 0 0 0 0 25 32.370 0.908 1.914 1 U 1.820000E+05 0.000000E+00 e 0 0 0 0 26 32.274 2.008 1.913 1 U 2.480000E+05 0.000000E+00 e 0 0 0 0 27 32.237 0.885 1.914 1 U 1.830000E+05 0.000000E+00 e 0 0 0 0 28 117.799 4.787 6.962 1 U 3.860000E+05 0.000000E+00 e 0 0 0 0 29 29.318 1.820 1.677 1 U 4.480000E+05 0.000000E+00 e 0 0 0 0 30 29.296 1.534 1.682 1 U 5.040000E+05 0.000000E+00 e 0 0 0 0 31 24.839 1.843 1.407 1 U 1.570000E+05 0.000000E+00 e 0 0 0 0 32 23.688 7.015 1.196 1 U 2.840000E+05 0.000000E+00 e 0 0 0 0 33 23.658 6.811 1.189 1 U 2.210000E+05 0.000000E+00 e 0 0 0 0 34 60.519 0.852 3.659 1 U 5.180000E+05 0.000000E+00 e 0 0 0 0 35 29.837 0.978 1.705 1 U 3.700000E+05 0.000000E+00 e 0 0 0 0 36 42.103 4.767 2.917 1 U 2.260000E+06 0.000000E+00 e 0 0 0 0 37 42.067 1.663 2.928 1 U 2.730000E+05 0.000000E+00 e 0 0 0 0 38 41.892 1.863 2.934 1 U 2.950000E+05 0.000000E+00 e 0 0 0 0 39 25.697 0.933 1.347 1 U 2.690000E+05 0.000000E+00 e 0 0 0 0 40 36.544 2.158 2.306 1 U 3.040000E+05 0.000000E+00 e 0 0 0 0 41 17.539 0.889 1.429 1 U 9.110000E+05 0.000000E+00 e 0 0 0 0 42 58.899 0.955 4.115 1 U 3.830000E+05 0.000000E+00 e 0 0 0 0 43 41.085 0.941 1.998 1 U 1.070000E+05 0.000000E+00 e 0 0 0 0 44 41.103 0.963 1.697 1 U 1.380000E+05 0.000000E+00 e 0 0 0 0 45 25.326 1.702 0.915 1 U 1.820000E+05 0.000000E+00 e 0 0 0 0 46 24.388 4.775 0.955 1 U 2.640000E+05 0.000000E+00 e 0 0 0 0 47 24.360 1.668 0.962 1 U 1.420000E+05 0.000000E+00 e 0 0 0 0 48 24.221 1.546 0.958 1 U 1.410000E+05 0.000000E+00 e 0 0 0 0 49 24.258 0.915 0.965 1 U 1.380000E+06 0.000000E+00 e 0 0 0 0 50 24.139 3.801 0.957 1 U 1.330000E+05 0.000000E+00 e 0 0 0 0 51 24.197 1.573 0.958 1 U 1.380000E+05 0.000000E+00 e 0 0 0 0 52 38.721 0.902 3.071 1 U 1.140000E+05 0.000000E+00 e 0 0 0 0 53 38.426 4.568 2.749 1 U 1.100000E+05 0.000000E+00 e 0 0 0 0 54 38.244 4.552 2.752 1 U 1.040000E+05 0.000000E+00 e 0 0 0 0 55 34.443 2.346 2.561 1 U 1.570000E+05 0.000000E+00 e 0 0 0 0 56 32.447 1.715 1.880 1 U 1.700000E+05 0.000000E+00 e 0 0 0 0 57 36.786 2.277 2.436 1 U 2.230000E+05 0.000000E+00 e 0 0 0 0 58 34.639 2.802 2.763 1 U 1.070000E+05 0.000000E+00 e 0 0 0 0 59 58.499 2.142 4.187 1 U 1.310000E+05 0.000000E+00 e 0 0 0 0 60 25.087 7.026 -0.194 1 U 1.440000E+05 0.000000E+00 e 0 0 0 0 61 58.693 4.122 4.218 1 U 1.970000E+05 0.000000E+00 e 0 0 0 0 62 32.762 0.900 1.858 1 U 1.150000E+05 0.000000E+00 e 0 0 0 0 63 29.856 4.766 1.701 1 U 5.770000E+05 0.000000E+00 e 0 0 0 0 64 31.807 0.866 2.192 1 U 1.080000E+05 0.000000E+00 e 0 0 0 0 65 42.176 1.650 1.694 1 U 1.730000E+05 0.000000E+00 e 0 0 0 0 66 42.173 0.941 1.656 1 U 1.010000E+05 0.000000E+00 e 0 0 0 0 67 23.889 0.904 0.695 1 U 2.600000E+05 0.000000E+00 e 0 0 0 0 68 23.844 0.630 0.695 1 U 1.600000E+05 0.000000E+00 e 0 0 0 0 69 23.796 4.772 0.691 1 U 2.210000E+05 0.000000E+00 e 0 0 0 0 70 23.793 3.042 0.693 1 U 2.010000E+05 0.000000E+00 e 0 0 0 0 71 23.783 1.843 0.696 1 U 1.900000E+05 0.000000E+00 e 0 0 0 0 72 23.780 1.546 0.692 1 U 1.750000E+05 0.000000E+00 e 0 0 0 0 73 26.501 0.940 0.210 1 U 3.990000E+05 0.000000E+00 e 0 0 0 0 74 42.694 0.942 1.629 1 U 1.020000E+05 0.000000E+00 e 0 0 0 0 75 22.559 7.532 0.820 1 U 1.350000E+05 0.000000E+00 e 0 0 0 0 76 45.834 4.764 3.950 1 U 4.320000E+05 0.000000E+00 e 0 0 0 0 77 32.765 4.368 1.784 1 U 1.170000E+05 0.000000E+00 e 0 0 0 0 78 22.082 4.749 0.801 1 U 1.310000E+05 0.000000E+00 e 0 0 0 0 79 65.740 4.788 4.124 1 U 2.460000E+05 0.000000E+00 e 0 0 0 0 80 66.529 4.773 3.558 1 U 1.270000E+05 0.000000E+00 e 0 0 0 0 81 66.415 6.767 3.533 1 U 1.460000E+05 0.000000E+00 e 0 0 0 0 82 14.867 7.710 0.741 1 U 1.740000E+05 0.000000E+00 e 0 0 0 0 83 14.805 7.013 0.742 1 U 3.020000E+05 0.000000E+00 e 0 0 0 0 84 14.671 2.155 0.749 1 U 1.900000E+05 0.000000E+00 e 0 0 0 0 85 18.012 4.757 0.957 1 U 2.160000E+05 0.000000E+00 e 0 0 0 0 86 39.004 6.229 0.553 1 U 2.560000E+05 0.000000E+00 e 0 0 0 0 87 23.132 6.625 -0.552 1 U 3.540000E+05 0.000000E+00 e 0 0 0 0 88 22.958 6.234 -0.558 1 U 2.720000E+05 0.000000E+00 e 0 0 0 0 89 31.097 8.487 2.974 1 U 1.120000E+05 0.000000E+00 e 0 0 0 0 90 43.132 1.565 1.673 1 U 1.930000E+05 0.000000E+00 e 0 0 0 0 91 131.361 0.917 7.229 1 U 1.850000E+05 0.000000E+00 e 0 0 0 0 92 131.199 3.065 7.221 1 U 1.090000E+05 0.000000E+00 e 0 0 0 0 93 117.749 6.917 6.754 1 U 1.350000E+05 0.000000E+00 e 0 0 0 0 94 129.987 7.207 7.268 1 U 1.320000E+05 0.000000E+00 e 0 0 0 0 95 129.972 7.146 7.279 1 U 1.380000E+05 0.000000E+00 e 0 0 0 0 96 137.433 7.051 8.393 1 U 1.290000E+05 0.000000E+00 e 0 0 0 0 97 120.000 8.354 7.052 1 U 1.100000E+05 0.000000E+00 e 0 0 0 0 98 119.845 6.889 7.073 1 U 5.220000E+05 0.000000E+00 e 0 0 0 0 ; loop_ _Spectral_dim.ID _Spectral_dim.Axis_code _Spectral_dim.Spectrometer_frequency _Spectral_dim.Atom_type _Spectral_dim.Atom_isotope_number _Spectral_dim.Spectral_region _Spectral_dim.Magnetization_linkage_ID _Spectral_dim.Under_sampling_type _Spectral_dim.Sweep_width _Spectral_dim.Sweep_width_units _Spectral_dim.Value_first_point _Spectral_dim.Absolute_peak_positions _Spectral_dim.Acquisition _Spectral_dim.Center_frequency_offset _Spectral_dim.Encoding_code _Spectral_dim.Encoded_reduced_dimension_ID _Spectral_dim.Entry_ID _Spectral_dim.Spectral_peak_list_ID 1 . . C 13 C . aliased 3015.682 Hz . . . 67.000 . . 30765 6 2 . . H 1 H . . 7978.723 Hz . . . 4.771 . . 30765 6 3 . . H 1 H . . 5995.204 Hz . . . 4.771 . . 30765 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 30765 _Spectral_peak_list.ID 7 _Spectral_peak_list.Name . _Spectral_peak_list.Sample_ID 2 _Spectral_peak_list.Sample_label $sample_2 _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 33 _Spectral_peak_list.Experiment_name '3D 1H-13C NOESY filtered-edited' _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 ; # Number of dimensions 3 # Number of peaks 98 #FORMAT xeasy3D #INAME 1 C #INAME 2 H #INAME 3 HC #SPECTRUM C13NOESY C H HC 1 55.265 4.401 4.436 1 U 6.740000E+05 0.000000E+00 e 0 0 0 0 2 50.864 3.877 3.785 1 U 1.730000E+06 0.000000E+00 e 0 0 0 0 3 25.055 0.852 0.915 1 U 5.280000E+06 0.000000E+00 e 0 0 0 0 4 23.465 2.342 0.848 1 U 3.640000E+05 0.000000E+00 e 0 0 0 0 5 23.242 4.114 0.846 1 U 5.650000E+05 0.000000E+00 e 0 0 0 0 6 21.499 1.379 1.220 1 U 2.860000E+05 0.000000E+00 e 0 0 0 0 7 19.234 4.340 1.411 1 U 4.000000E+05 0.000000E+00 e 0 0 0 0 8 63.881 3.730 3.865 1 U 3.300000E+06 0.000000E+00 e 0 0 0 0 9 63.845 4.376 3.883 1 U 6.000000E+05 0.000000E+00 e 0 0 0 0 10 29.755 2.361 2.121 1 U 5.760000E+05 0.000000E+00 e 0 0 0 0 11 36.324 2.347 2.251 1 U 1.510000E+06 0.000000E+00 e 0 0 0 0 12 36.317 2.319 2.253 1 U 1.510000E+06 0.000000E+00 e 0 0 0 0 13 58.730 4.368 4.433 1 U 6.900000E+05 0.000000E+00 e 0 0 0 0 14 58.666 4.327 4.432 1 U 7.140000E+05 0.000000E+00 e 0 0 0 0 15 32.270 4.018 2.141 1 U 3.560000E+05 0.000000E+00 e 0 0 0 0 16 54.026 2.647 4.670 1 U 4.870000E+05 0.000000E+00 e 0 0 0 0 17 38.788 4.763 2.807 1 U 9.360000E+05 0.000000E+00 e 0 0 0 0 18 13.049 0.979 0.853 1 U 1.020000E+06 0.000000E+00 e 0 0 0 0 19 27.910 0.902 1.178 1 U 3.490000E+05 0.000000E+00 e 0 0 0 0 20 27.631 0.962 1.178 1 U 3.690000E+05 0.000000E+00 e 0 0 0 0 21 17.686 1.669 0.874 1 U 4.250000E+05 0.000000E+00 e 0 0 0 0 22 42.084 1.594 1.585 1 U 1.100000E+06 0.000000E+00 e 0 0 0 0 23 56.751 4.281 4.262 1 U 7.620000E+05 0.000000E+00 e 0 0 0 0 24 32.992 2.104 1.842 1 U 3.450000E+05 0.000000E+00 e 0 0 0 0 25 29.216 1.734 1.653 1 U 1.300000E+06 0.000000E+00 e 0 0 0 0 26 24.904 1.635 1.381 1 U 6.640000E+05 0.000000E+00 e 0 0 0 0 27 33.923 2.264 2.363 1 U 8.450000E+05 0.000000E+00 e 0 0 0 0 28 58.529 3.968 4.414 1 U 3.190000E+05 0.000000E+00 e 0 0 0 0 29 45.499 3.884 3.934 1 U 4.000000E+05 0.000000E+00 e 0 0 0 0 30 45.371 3.877 3.934 1 U 4.040000E+05 0.000000E+00 e 0 0 0 0 31 19.362 4.325 1.334 1 U 3.110000E+05 0.000000E+00 e 0 0 0 0 32 27.296 1.433 1.488 1 U 5.760000E+05 0.000000E+00 e 0 0 0 0 33 27.255 1.074 1.468 1 U 3.310000E+05 0.000000E+00 e 0 0 0 0 34 27.245 1.038 1.468 1 U 3.370000E+05 0.000000E+00 e 0 0 0 0 35 42.224 4.782 3.001 1 U 1.250000E+06 0.000000E+00 e 0 0 0 0 36 42.229 1.738 2.995 1 U 5.310000E+05 0.000000E+00 e 0 0 0 0 37 42.186 1.313 2.989 1 U 3.870000E+05 0.000000E+00 e 0 0 0 0 38 41.989 1.950 3.004 1 U 3.400000E+05 0.000000E+00 e 0 0 0 0 39 42.208 1.724 1.628 1 U 1.080000E+06 0.000000E+00 e 0 0 0 0 40 42.234 1.650 1.633 1 U 1.080000E+06 0.000000E+00 e 0 0 0 0 41 24.324 1.370 0.875 1 U 2.670000E+06 0.000000E+00 e 0 0 0 0 42 24.257 8.556 0.865 1 U 3.950000E+05 0.000000E+00 e 0 0 0 0 43 60.168 7.465 3.975 1 U 4.370000E+05 0.000000E+00 e 0 0 0 0 44 23.367 7.495 1.068 1 U 5.710000E+05 0.000000E+00 e 0 0 0 0 45 23.350 7.525 1.068 1 U 5.710000E+05 0.000000E+00 e 0 0 0 0 46 23.280 0.956 1.066 1 U 6.680000E+05 0.000000E+00 e 0 0 0 0 47 66.552 0.726 3.509 1 U 7.590000E+05 0.000000E+00 e 0 0 0 0 48 22.268 2.921 0.843 1 U 4.830000E+05 0.000000E+00 e 0 0 0 0 49 22.166 2.655 0.835 1 U 3.590000E+05 0.000000E+00 e 0 0 0 0 50 22.219 4.249 0.806 1 U 8.090000E+05 0.000000E+00 e 0 0 0 0 51 60.017 1.448 3.998 1 U 4.230000E+05 0.000000E+00 e 0 0 0 0 52 30.343 1.800 1.984 1 U 3.950000E+05 0.000000E+00 e 0 0 0 0 53 43.715 3.983 3.210 1 U 2.990000E+05 0.000000E+00 e 0 0 0 0 54 22.150 1.734 0.949 1 U 1.280000E+06 0.000000E+00 e 0 0 0 0 55 22.058 7.388 0.945 1 U 1.150000E+06 0.000000E+00 e 0 0 0 0 56 22.105 2.991 0.947 1 U 5.310000E+05 0.000000E+00 e 0 0 0 0 57 22.111 0.228 0.947 1 U 1.770000E+06 0.000000E+00 e 0 0 0 0 58 21.864 0.769 0.939 1 U 1.170000E+06 0.000000E+00 e 0 0 0 0 59 62.079 0.699 4.093 1 U 5.710000E+05 0.000000E+00 e 0 0 0 0 60 61.937 1.217 4.116 1 U 3.180000E+05 0.000000E+00 e 0 0 0 0 61 22.502 1.755 1.032 1 U 9.760000E+05 0.000000E+00 e 0 0 0 0 62 22.364 3.891 1.021 1 U 4.470000E+05 0.000000E+00 e 0 0 0 0 63 22.399 1.340 1.033 1 U 1.330000E+06 0.000000E+00 e 0 0 0 0 64 22.403 0.863 1.029 1 U 8.000000E+05 0.000000E+00 e 0 0 0 0 65 22.316 4.276 1.026 1 U 3.950000E+05 0.000000E+00 e 0 0 0 0 66 22.329 1.747 1.025 1 U 9.590000E+05 0.000000E+00 e 0 0 0 0 67 22.247 8.388 0.953 1 U 3.050000E+05 0.000000E+00 e 0 0 0 0 68 56.553 0.691 3.963 1 U 3.350000E+05 0.000000E+00 e 0 0 0 0 69 43.107 0.702 3.017 1 U 6.180000E+05 0.000000E+00 e 0 0 0 0 70 55.521 2.953 4.299 1 U 3.190000E+05 0.000000E+00 e 0 0 0 0 71 61.500 8.000 4.150 1 U 3.080000E+05 0.000000E+00 e 0 0 0 0 72 27.209 1.501 1.503 1 U 5.440000E+05 0.000000E+00 e 0 0 0 0 73 27.371 0.982 1.184 1 U 3.710000E+05 0.000000E+00 e 0 0 0 0 74 113.828 2.597 7.582 1 U 4.210000E+05 0.000000E+00 e 0 0 0 0 75 113.500 4.244 7.575 1 U 3.690000E+05 0.000000E+00 e 0 0 0 0 76 113.530 2.614 7.579 1 U 4.090000E+05 0.000000E+00 e 0 0 0 0 77 132.688 0.730 7.021 1 U 3.170000E+05 0.000000E+00 e 0 0 0 0 78 27.877 2.964 3.154 1 U 1.250000E+05 0.000000E+00 e 0 0 0 0 79 27.742 2.998 3.156 1 U 1.270000E+05 0.000000E+00 e 0 0 0 0 80 23.613 4.178 1.195 1 U 3.740000E+05 0.000000E+00 e 0 0 0 0 81 43.475 3.204 3.133 1 U 2.070000E+05 0.000000E+00 e 0 0 0 0 82 36.780 2.570 2.449 1 U 2.080000E+05 0.000000E+00 e 0 0 0 0 83 61.041 7.555 4.200 1 U 1.560000E+05 0.000000E+00 e 0 0 0 0 84 22.752 1.916 0.826 1 U 1.280000E+05 0.000000E+00 e 0 0 0 0 85 58.788 4.261 4.163 1 U 1.580000E+05 0.000000E+00 e 0 0 0 0 86 32.738 4.209 1.784 1 U 1.520000E+05 0.000000E+00 e 0 0 0 0 87 32.573 4.029 1.795 1 U 1.340000E+05 0.000000E+00 e 0 0 0 0 88 14.764 0.855 0.740 1 U 4.740000E+05 0.000000E+00 e 0 0 0 0 89 38.956 6.610 0.554 1 U 3.340000E+05 0.000000E+00 e 0 0 0 0 90 32.039 2.141 1.910 1 U 4.020000E+05 0.000000E+00 e 0 0 0 0 91 41.402 2.554 2.695 1 U 6.840000E+05 0.000000E+00 e 0 0 0 0 92 23.137 1.746 1.061 1 U 8.180000E+05 0.000000E+00 e 0 0 0 0 93 22.234 3.685 0.842 1 U 2.180000E+06 0.000000E+00 e 0 0 0 0 94 22.158 7.377 0.829 1 U 4.430000E+05 0.000000E+00 e 0 0 0 0 95 31.996 1.299 2.174 1 U 3.410000E+05 0.000000E+00 e 0 0 0 0 96 22.367 7.303 1.033 1 U 4.220000E+05 0.000000E+00 e 0 0 0 0 97 22.269 6.938 1.031 1 U 3.630000E+05 0.000000E+00 e 0 0 0 0 98 17.799 1.053 0.917 1 U 5.120000E+05 0.000000E+00 e 0 0 0 0 ; loop_ _Spectral_dim.ID _Spectral_dim.Axis_code _Spectral_dim.Spectrometer_frequency _Spectral_dim.Atom_type _Spectral_dim.Atom_isotope_number _Spectral_dim.Spectral_region _Spectral_dim.Magnetization_linkage_ID _Spectral_dim.Under_sampling_type _Spectral_dim.Sweep_width _Spectral_dim.Sweep_width_units _Spectral_dim.Value_first_point _Spectral_dim.Absolute_peak_positions _Spectral_dim.Acquisition _Spectral_dim.Center_frequency_offset _Spectral_dim.Encoding_code _Spectral_dim.Encoded_reduced_dimension_ID _Spectral_dim.Entry_ID _Spectral_dim.Spectral_peak_list_ID 1 . . C 13 C . aliased 3015.682 Hz . . . 67.000 . . 30765 7 2 . . H 1 H . . 7978.723 Hz . . . 4.776 . . 30765 7 3 . . H 1 H . . 6793.478 Hz . . . 4.776 . . 30765 7 stop_ save_ save_spectral_peak_list_8 _Spectral_peak_list.Sf_category spectral_peak_list _Spectral_peak_list.Sf_framecode spectral_peak_list_8 _Spectral_peak_list.Entry_ID 30765 _Spectral_peak_list.ID 8 _Spectral_peak_list.Name . _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 18 _Spectral_peak_list.Experiment_name '3D 1H-15N NOESY filtered-edited' _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 ; # Number of dimensions 3 # Number of peaks 38 #FORMAT xeasy3D #INAME 1 N #INAME 2 H #INAME 3 HN #SPECTRUM N15NOESY N H HN 1 112.631 7.091 6.925 1 U 8.090000E+04 0.000000E+00 e 0 0 0 0 2 112.692 4.774 6.934 1 U 3.420000E+06 0.000000E+00 e 0 0 0 0 3 116.260 7.052 8.395 1 U 1.020000E+05 0.000000E+00 e 0 0 0 0 4 112.519 7.497 7.605 1 U 9.370000E+04 0.000000E+00 e 0 0 0 0 5 116.541 4.263 8.251 1 U 1.280000E+05 0.000000E+00 e 0 0 0 0 6 116.332 4.216 8.259 1 U 1.280000E+05 0.000000E+00 e 0 0 0 0 7 126.031 3.910 8.309 1 U 1.070000E+05 0.000000E+00 e 0 0 0 0 8 119.096 4.360 8.126 1 U 1.450000E+05 0.000000E+00 e 0 0 0 0 9 120.233 4.079 8.352 1 U 7.920000E+04 0.000000E+00 e 0 0 0 0 10 123.254 4.258 8.492 1 U 1.250000E+05 0.000000E+00 e 0 0 0 0 11 121.110 0.879 7.999 1 U 2.480000E+05 0.000000E+00 e 0 0 0 0 12 119.025 0.963 8.578 1 U 3.660000E+05 0.000000E+00 e 0 0 0 0 13 114.919 0.963 7.971 1 U 9.470000E+04 0.000000E+00 e 0 0 0 0 14 119.498 1.921 7.790 1 U 9.240000E+04 0.000000E+00 e 0 0 0 0 15 119.464 0.927 7.789 1 U 1.170000E+05 0.000000E+00 e 0 0 0 0 16 119.351 1.959 7.791 1 U 9.400000E+04 0.000000E+00 e 0 0 0 0 17 119.840 0.923 8.310 1 U 1.370000E+05 0.000000E+00 e 0 0 0 0 18 119.673 0.908 8.307 1 U 1.370000E+05 0.000000E+00 e 0 0 0 0 19 120.725 7.046 8.939 1 U 3.880000E+05 0.000000E+00 e 0 0 0 0 20 123.381 7.069 9.716 1 U 1.410000E+05 0.000000E+00 e 0 0 0 0 21 116.157 1.003 8.404 1 U 1.300000E+05 0.000000E+00 e 0 0 0 0 22 115.988 7.306 8.396 1 U 8.070000E+04 0.000000E+00 e 0 0 0 0 23 116.028 7.265 8.394 1 U 7.710000E+04 0.000000E+00 e 0 0 0 0 24 116.031 4.192 8.388 1 U 7.220000E+05 0.000000E+00 e 0 0 0 0 25 116.559 1.697 7.112 1 U 7.700000E+04 0.000000E+00 e 0 0 0 0 26 116.607 0.962 7.097 1 U 9.690000E+04 0.000000E+00 e 0 0 0 0 27 120.712 4.068 8.340 1 U 7.710000E+04 0.000000E+00 e 0 0 0 0 28 116.349 4.209 7.964 1 U 8.730000E+04 0.000000E+00 e 0 0 0 0 29 116.186 4.202 7.959 1 U 8.430000E+04 0.000000E+00 e 0 0 0 0 30 116.036 4.147 7.955 1 U 9.200000E+04 0.000000E+00 e 0 0 0 0 31 115.958 4.094 7.952 1 U 8.240000E+04 0.000000E+00 e 0 0 0 0 32 122.146 4.112 7.596 1 U 8.290000E+04 0.000000E+00 e 0 0 0 0 33 125.750 6.821 9.551 1 U 7.960000E+04 0.000000E+00 e 0 0 0 0 34 124.767 4.192 8.085 1 U 1.730000E+05 0.000000E+00 e 0 0 0 0 35 118.464 1.621 7.822 1 U 8.760000E+04 0.000000E+00 e 0 0 0 0 36 118.332 0.933 7.826 1 U 7.790000E+04 0.000000E+00 e 0 0 0 0 37 119.312 4.484 7.824 1 U 8.490000E+04 0.000000E+00 e 0 0 0 0 38 126.524 1.674 7.444 1 U 1.560000E+05 0.000000E+00 e 0 0 0 0 ; 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 . . N 15 N . . 1418.020 Hz . . . 118.000 . . 30765 8 2 . . H 1 HN . . 7978.723 Hz . . . 4.771 . . 30765 8 3 . . H 1 H . . 5995.204 Hz . . . 4.771 . . 30765 8 stop_ save_ save_spectral_peak_list_9 _Spectral_peak_list.Sf_category spectral_peak_list _Spectral_peak_list.Sf_framecode spectral_peak_list_9 _Spectral_peak_list.Entry_ID 30765 _Spectral_peak_list.ID 9 _Spectral_peak_list.Name . _Spectral_peak_list.Sample_ID 2 _Spectral_peak_list.Sample_label $sample_2 _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 32 _Spectral_peak_list.Experiment_name '3D 1H-15N NOESY filtered-edited' _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 ; # Number of dimensions 3 # Number of peaks 33 #FORMAT xeasy3D #INAME 1 N #INAME 2 H #INAME 3 HN #SPECTRUM N15NOESY N H HN 1 123.731 8.267 8.308 1 U 1.520000E+05 0.000000E+00 e 0 0 0 0 2 125.147 8.308 8.302 1 U 2.240000E+05 0.000000E+00 e 0 0 0 0 3 115.161 8.292 8.360 1 U 1.290000E+05 0.000000E+00 e 0 0 0 0 4 122.462 8.233 8.318 1 U 1.330000E+05 0.000000E+00 e 0 0 0 0 5 121.086 8.040 8.047 1 U 2.770000E+05 0.000000E+00 e 0 0 0 0 6 121.086 2.033 8.061 1 U 1.190000E+05 0.000000E+00 e 0 0 0 0 7 121.147 0.941 8.051 1 U 1.060000E+05 0.000000E+00 e 0 0 0 0 8 112.839 6.930 6.902 1 U 1.120000E+05 0.000000E+00 e 0 0 0 0 9 121.106 1.576 8.012 1 U 1.110000E+05 0.000000E+00 e 0 0 0 0 10 120.998 2.733 8.010 1 U 1.060000E+05 0.000000E+00 e 0 0 0 0 11 121.074 1.537 8.015 1 U 1.090000E+05 0.000000E+00 e 0 0 0 0 12 120.952 2.841 8.022 1 U 1.200000E+05 0.000000E+00 e 0 0 0 0 13 123.817 2.339 8.116 1 U 1.070000E+05 0.000000E+00 e 0 0 0 0 14 123.775 0.930 8.110 1 U 1.080000E+05 0.000000E+00 e 0 0 0 0 15 120.970 3.830 8.057 1 U 1.790000E+05 0.000000E+00 e 0 0 0 0 16 120.849 1.843 8.059 1 U 1.410000E+05 0.000000E+00 e 0 0 0 0 17 120.627 8.290 8.204 1 U 1.100000E+05 0.000000E+00 e 0 0 0 0 18 112.297 4.775 6.839 1 U 1.270000E+06 0.000000E+00 e 0 0 0 0 19 112.310 4.371 6.836 1 U 1.550000E+05 0.000000E+00 e 0 0 0 0 20 111.000 3.878 8.338 1 U 1.640000E+05 0.000000E+00 e 0 0 0 0 21 116.698 4.350 8.087 1 U 2.960000E+05 0.000000E+00 e 0 0 0 0 22 116.615 1.813 8.089 1 U 1.260000E+05 0.000000E+00 e 0 0 0 0 23 116.452 1.951 8.098 1 U 1.140000E+05 0.000000E+00 e 0 0 0 0 24 130.171 7.128 10.541 1 U 1.330000E+05 0.000000E+00 e 0 0 0 0 25 130.019 2.675 10.545 1 U 4.070000E+05 0.000000E+00 e 0 0 0 0 26 117.407 0.855 7.721 1 U 1.640000E+05 0.000000E+00 e 0 0 0 0 27 118.552 1.298 7.807 1 U 2.620000E+05 0.000000E+00 e 0 0 0 0 28 118.529 0.721 7.802 1 U 4.070000E+05 0.000000E+00 e 0 0 0 0 29 118.429 1.039 7.798 1 U 1.920000E+05 0.000000E+00 e 0 0 0 0 30 124.982 2.090 8.309 1 U 1.170000E+05 0.000000E+00 e 0 0 0 0 31 122.470 2.213 8.529 1 U 7.920000E+04 0.000000E+00 e 0 0 0 0 32 121.003 7.059 8.497 1 U 1.900000E+05 0.000000E+00 e 0 0 0 0 33 119.787 1.731 7.622 1 U 1.140000E+05 0.000000E+00 e 0 0 0 0 ; 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 . . N 15 N . . 1316.72 Hz . . . 119.000 . . 30765 9 2 . . H 1 HN . . 7978.723 Hz . . . 4.771 . . 30765 9 3 . . H 1 H . . 6793.478 Hz . . . 4.771 . . 30765 9 stop_ save_