data_17683 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 17683 _Entry.Title ; Solution NMR Structure of Heat shock factor protein 1 DNA binding domain from homo sapiens, Northeast Structural Genomics Consortium Target HR3023C ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2011-06-01 _Entry.Accession_date 2011-06-01 _Entry.Last_release_date 2011-07-05 _Entry.Original_release_date 2011-07-05 _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version 3.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype 'SOLUTION NMR' _Entry.Details . _Entry.BMRB_internal_directory_name . loop_ _Entry_author.Ordinal _Entry_author.Given_name _Entry_author.Family_name _Entry_author.First_initial _Entry_author.Middle_initials _Entry_author.Family_title _Entry_author.Entry_ID 1 G. Liu . . . 17683 2 R. Xiao . . . 17683 3 C. Ciccosanti . . . 17683 4 H. Janjua . . . 17683 5 T. Acton . B. . 17683 6 Hsiau-wei Lee . . . 17683 7 H. Wang . B. . 17683 8 Yuanpeng Huang . B. . 17683 9 J. Everett . K. . 17683 10 G. Montelione . T. . 17683 stop_ loop_ _SG_project.SG_project_ID _SG_project.Project_name _SG_project.Full_name_of_center _SG_project.Initial_of_center _SG_project.Entry_ID 1 'PSI, Protein Structure Initiative' 'Northeast Structural Genomics Consortium' . 17683 stop_ loop_ _Struct_keywords.Keywords _Struct_keywords.Text _Struct_keywords.Entry_ID DNA-binding . 17683 'NORTHEAST STRUCTURAL GENOMICS CONSORTIUM (NESG)' . 17683 'Protein NMR' . 17683 'Protein Structure Initiative' . 17683 'Structural Genomics' . 17683 'Target HR3023C' . 17683 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 17683 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 528 17683 '15N chemical shifts' 120 17683 '1H chemical shifts' 830 17683 stop_ loop_ _Release.Release_number _Release.Format_type _Release.Format_version _Release.Date _Release.Submission_date _Release.Type _Release.Author _Release.Detail _Release.Entry_ID 1 . . 2011-07-05 2011-06-01 original author . 17683 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 2LDU 'BMRB Entry Tracking System' 17683 stop_ save_ ############### # Citations # ############### save_citations _Citation.Sf_category citations _Citation.Sf_framecode citations _Citation.Entry_ID 17683 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID . _Citation.Full_citation . _Citation.Title 'Northeast Structural Genomics Consortium Target HR3023C' _Citation.Status 'in preparation' _Citation.Type journal _Citation.Journal_abbrev 'To be published' _Citation.Journal_name_full . _Citation.Journal_volume . _Citation.Journal_issue . _Citation.Journal_ASTM . _Citation.Journal_ISSN . _Citation.Journal_CSD . _Citation.Book_title . _Citation.Book_chapter_title . _Citation.Book_volume . _Citation.Book_series . _Citation.Book_publisher . _Citation.Book_publisher_city . _Citation.Book_ISBN . _Citation.Conference_title . _Citation.Conference_site . _Citation.Conference_state_province . _Citation.Conference_country . _Citation.Conference_start_date . _Citation.Conference_end_date . _Citation.Conference_abstract_number . _Citation.Thesis_institution . _Citation.Thesis_institution_city . _Citation.Thesis_institution_country . _Citation.WWW_URL . _Citation.Page_first . _Citation.Page_last . _Citation.Year . _Citation.Details . loop_ _Citation_author.Ordinal _Citation_author.Given_name _Citation_author.Family_name _Citation_author.First_initial _Citation_author.Middle_initials _Citation_author.Family_title _Citation_author.Entry_ID _Citation_author.Citation_ID 1 G. Liu . . . 17683 1 2 R. Xiao . . . 17683 1 3 C. Ciccosanti . . . 17683 1 4 H. Janjua . . . 17683 1 5 T. Acton . B. . 17683 1 6 H. Wang . . . 17683 1 7 Hsiau-wei Lee . B. . 17683 1 8 Yuanpeng Huang . T. . 17683 1 9 J. Everett . K. . 17683 1 10 G. Montelione . T. . 17683 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 17683 _Assembly.ID 1 _Assembly.Name HR3023C _Assembly.BMRB_code . _Assembly.Number_of_components 1 _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds . _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state . _Assembly.Molecular_mass . _Assembly.Enzyme_commission_number . _Assembly.Details . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Entity_assembly.ID _Entity_assembly.Entity_assembly_name _Entity_assembly.Entity_ID _Entity_assembly.Entity_label _Entity_assembly.Asym_ID _Entity_assembly.PDB_chain_ID _Entity_assembly.Experimental_data_reported _Entity_assembly.Physical_state _Entity_assembly.Conformational_isomer _Entity_assembly.Chemical_exchange_state _Entity_assembly.Magnetic_equivalence_group_code _Entity_assembly.Role _Entity_assembly.Details _Entity_assembly.Entry_ID _Entity_assembly.Assembly_ID 1 HR3023C 1 $HR3023C A . yes native no no . . . 17683 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_HR3023C _Entity.Sf_category entity _Entity.Sf_framecode HR3023C _Entity.Entry_ID 17683 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name HR3023C _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 ; MGHHHHHHSHMAGPSNVPAF LTKLWTLVSDPDTDALICWS PSGNSFHVFDQGQFAKEVLP KYFKHNNMASFVRQLNMYGF RKVVHIEQGGLVKPERDDTE FQHPCFLRGQEQLLENIKRK VTSVS ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states no _Entity.Ambiguous_chem_comp_sites no _Entity.Nstd_monomer no _Entity.Nstd_chirality no _Entity.Nstd_linkage no _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 125 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'all free' _Entity.Src_method man _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 14401.479 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date 2015-11-25 loop_ _Entity_db_link.Ordinal _Entity_db_link.Author_supplied _Entity_db_link.Database_code _Entity_db_link.Accession_code _Entity_db_link.Entry_mol_code _Entity_db_link.Entry_mol_name _Entity_db_link.Entry_experimental_method _Entity_db_link.Entry_structure_resolution _Entity_db_link.Entry_relation_type _Entity_db_link.Entry_details _Entity_db_link.Chimera_segment_ID _Entity_db_link.Seq_query_to_submitted_percent _Entity_db_link.Seq_subject_length _Entity_db_link.Seq_identity _Entity_db_link.Seq_positive _Entity_db_link.Seq_homology_expectation_val _Entity_db_link.Seq_align_begin _Entity_db_link.Seq_align_end _Entity_db_link.Seq_difference_details _Entity_db_link.Seq_alignment_details _Entity_db_link.Entry_ID _Entity_db_link.Entity_ID 1 no PDB 2LDU . "Solution Nmr Structure Of Heat Shock Factor Protein 1 Dna Binding Domain From Homo Sapiens, Northeast Structural Genomics Conso" . . . . . 100.00 125 100.00 100.00 5.64e-88 . . . . 17683 1 2 no DBJ BAD96217 . "heat shock transcription factor 1 variant [Homo sapiens]" . . . . . 91.20 529 99.12 99.12 5.43e-76 . . . . 17683 1 3 no DBJ BAF83664 . "unnamed protein product [Homo sapiens]" . . . . . 91.20 529 100.00 100.00 8.30e-77 . . . . 17683 1 4 no DBJ BAG73234 . "heat shock transcription factor 1 [synthetic construct]" . . . . . 91.20 529 100.00 100.00 8.30e-77 . . . . 17683 1 5 no DBJ BAK63583 . "heat shock factor protein 1 [Pan troglodytes]" . . . . . 91.20 529 100.00 100.00 8.66e-77 . . . . 17683 1 6 no EMBL CAA43892 . "heat shock transcription factor 1 [Mus musculus]" . . . . . 91.20 503 100.00 100.00 5.30e-77 . . . . 17683 1 7 no EMBL CAD58796 . "heat shock transcription factor 1 [Bos taurus]" . . . . . 81.60 141 98.04 99.02 3.12e-69 . . . . 17683 1 8 no GB AAA52695 . "heat shock factor 1 [Homo sapiens]" . . . . . 91.20 529 100.00 100.00 8.30e-77 . . . . 17683 1 9 no GB AAC80425 . "heat shock transcription factor 1 [Mus musculus]" . . . . . 67.20 486 100.00 100.00 3.32e-52 . . . . 17683 1 10 no GB AAH13716 . "Heat shock factor 1 [Mus musculus]" . . . . . 91.20 503 100.00 100.00 5.30e-77 . . . . 17683 1 11 no GB AAH14638 . "Heat shock transcription factor 1 [Homo sapiens]" . . . . . 91.20 529 100.00 100.00 8.30e-77 . . . . 17683 1 12 no GB AAH94064 . "Hsf1 protein [Mus musculus]" . . . . . 91.20 477 100.00 100.00 2.94e-77 . . . . 17683 1 13 no PRF 2102256A . "heat shock factor" . . . . . 91.20 529 100.00 100.00 8.85e-77 . . . . 17683 1 14 no REF NP_001070277 . "heat shock factor protein 1 [Bos taurus]" . . . . . 91.20 525 98.25 99.12 1.98e-75 . . . . 17683 1 15 no REF NP_001230748 . "heat shock factor protein 1 [Sus scrofa]" . . . . . 91.20 518 97.37 99.12 9.50e-75 . . . . 17683 1 16 no REF NP_001266850 . "heat shock factor protein 1 [Pan troglodytes]" . . . . . 91.20 529 100.00 100.00 8.66e-77 . . . . 17683 1 17 no REF NP_001301273 . "heat shock transcription factor 1 [Capra hircus]" . . . . . 91.20 525 98.25 99.12 6.82e-74 . . . . 17683 1 18 no REF NP_005517 . "heat shock factor protein 1 [Homo sapiens]" . . . . . 91.20 529 100.00 100.00 8.30e-77 . . . . 17683 1 19 no SP P38532 . "RecName: Full=Heat shock factor protein 1; Short=HSF 1; AltName: Full=Heat shock transcription factor 1; Short=HSTF 1" . . . . . 91.20 525 100.00 100.00 5.27e-77 . . . . 17683 1 20 no SP Q00613 . "RecName: Full=Heat shock factor protein 1; Short=HSF 1; AltName: Full=Heat shock transcription factor 1; Short=HSTF 1" . . . . . 91.20 529 100.00 100.00 8.30e-77 . . . . 17683 1 21 no SP Q08DJ8 . "RecName: Full=Heat shock factor protein 1; Short=HSF 1; AltName: Full=Heat shock transcription factor 1; Short=HSTF 1" . . . . . 91.20 525 98.25 99.12 1.98e-75 . . . . 17683 1 22 no TPG DAA22852 . "TPA: heat shock factor protein 1 [Bos taurus]" . . . . . 91.20 525 98.25 99.12 1.98e-75 . . . . 17683 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 1 MET . 17683 1 2 2 GLY . 17683 1 3 3 HIS . 17683 1 4 4 HIS . 17683 1 5 5 HIS . 17683 1 6 6 HIS . 17683 1 7 7 HIS . 17683 1 8 8 HIS . 17683 1 9 9 SER . 17683 1 10 10 HIS . 17683 1 11 11 MET . 17683 1 12 12 ALA . 17683 1 13 13 GLY . 17683 1 14 14 PRO . 17683 1 15 15 SER . 17683 1 16 16 ASN . 17683 1 17 17 VAL . 17683 1 18 18 PRO . 17683 1 19 19 ALA . 17683 1 20 20 PHE . 17683 1 21 21 LEU . 17683 1 22 22 THR . 17683 1 23 23 LYS . 17683 1 24 24 LEU . 17683 1 25 25 TRP . 17683 1 26 26 THR . 17683 1 27 27 LEU . 17683 1 28 28 VAL . 17683 1 29 29 SER . 17683 1 30 30 ASP . 17683 1 31 31 PRO . 17683 1 32 32 ASP . 17683 1 33 33 THR . 17683 1 34 34 ASP . 17683 1 35 35 ALA . 17683 1 36 36 LEU . 17683 1 37 37 ILE . 17683 1 38 38 CYS . 17683 1 39 39 TRP . 17683 1 40 40 SER . 17683 1 41 41 PRO . 17683 1 42 42 SER . 17683 1 43 43 GLY . 17683 1 44 44 ASN . 17683 1 45 45 SER . 17683 1 46 46 PHE . 17683 1 47 47 HIS . 17683 1 48 48 VAL . 17683 1 49 49 PHE . 17683 1 50 50 ASP . 17683 1 51 51 GLN . 17683 1 52 52 GLY . 17683 1 53 53 GLN . 17683 1 54 54 PHE . 17683 1 55 55 ALA . 17683 1 56 56 LYS . 17683 1 57 57 GLU . 17683 1 58 58 VAL . 17683 1 59 59 LEU . 17683 1 60 60 PRO . 17683 1 61 61 LYS . 17683 1 62 62 TYR . 17683 1 63 63 PHE . 17683 1 64 64 LYS . 17683 1 65 65 HIS . 17683 1 66 66 ASN . 17683 1 67 67 ASN . 17683 1 68 68 MET . 17683 1 69 69 ALA . 17683 1 70 70 SER . 17683 1 71 71 PHE . 17683 1 72 72 VAL . 17683 1 73 73 ARG . 17683 1 74 74 GLN . 17683 1 75 75 LEU . 17683 1 76 76 ASN . 17683 1 77 77 MET . 17683 1 78 78 TYR . 17683 1 79 79 GLY . 17683 1 80 80 PHE . 17683 1 81 81 ARG . 17683 1 82 82 LYS . 17683 1 83 83 VAL . 17683 1 84 84 VAL . 17683 1 85 85 HIS . 17683 1 86 86 ILE . 17683 1 87 87 GLU . 17683 1 88 88 GLN . 17683 1 89 89 GLY . 17683 1 90 90 GLY . 17683 1 91 91 LEU . 17683 1 92 92 VAL . 17683 1 93 93 LYS . 17683 1 94 94 PRO . 17683 1 95 95 GLU . 17683 1 96 96 ARG . 17683 1 97 97 ASP . 17683 1 98 98 ASP . 17683 1 99 99 THR . 17683 1 100 100 GLU . 17683 1 101 101 PHE . 17683 1 102 102 GLN . 17683 1 103 103 HIS . 17683 1 104 104 PRO . 17683 1 105 105 CYS . 17683 1 106 106 PHE . 17683 1 107 107 LEU . 17683 1 108 108 ARG . 17683 1 109 109 GLY . 17683 1 110 110 GLN . 17683 1 111 111 GLU . 17683 1 112 112 GLN . 17683 1 113 113 LEU . 17683 1 114 114 LEU . 17683 1 115 115 GLU . 17683 1 116 116 ASN . 17683 1 117 117 ILE . 17683 1 118 118 LYS . 17683 1 119 119 ARG . 17683 1 120 120 LYS . 17683 1 121 121 VAL . 17683 1 122 122 THR . 17683 1 123 123 SER . 17683 1 124 124 VAL . 17683 1 125 125 SER . 17683 1 stop_ loop_ _Entity_poly_seq.Hetero _Entity_poly_seq.Mon_ID _Entity_poly_seq.Num _Entity_poly_seq.Comp_index_ID _Entity_poly_seq.Entry_ID _Entity_poly_seq.Entity_ID . MET 1 1 17683 1 . GLY 2 2 17683 1 . HIS 3 3 17683 1 . HIS 4 4 17683 1 . HIS 5 5 17683 1 . HIS 6 6 17683 1 . HIS 7 7 17683 1 . HIS 8 8 17683 1 . SER 9 9 17683 1 . HIS 10 10 17683 1 . MET 11 11 17683 1 . ALA 12 12 17683 1 . GLY 13 13 17683 1 . PRO 14 14 17683 1 . SER 15 15 17683 1 . ASN 16 16 17683 1 . VAL 17 17 17683 1 . PRO 18 18 17683 1 . ALA 19 19 17683 1 . PHE 20 20 17683 1 . LEU 21 21 17683 1 . THR 22 22 17683 1 . LYS 23 23 17683 1 . LEU 24 24 17683 1 . TRP 25 25 17683 1 . THR 26 26 17683 1 . LEU 27 27 17683 1 . VAL 28 28 17683 1 . SER 29 29 17683 1 . ASP 30 30 17683 1 . PRO 31 31 17683 1 . ASP 32 32 17683 1 . THR 33 33 17683 1 . ASP 34 34 17683 1 . ALA 35 35 17683 1 . LEU 36 36 17683 1 . ILE 37 37 17683 1 . CYS 38 38 17683 1 . TRP 39 39 17683 1 . SER 40 40 17683 1 . PRO 41 41 17683 1 . SER 42 42 17683 1 . GLY 43 43 17683 1 . ASN 44 44 17683 1 . SER 45 45 17683 1 . PHE 46 46 17683 1 . HIS 47 47 17683 1 . VAL 48 48 17683 1 . PHE 49 49 17683 1 . ASP 50 50 17683 1 . GLN 51 51 17683 1 . GLY 52 52 17683 1 . GLN 53 53 17683 1 . PHE 54 54 17683 1 . ALA 55 55 17683 1 . LYS 56 56 17683 1 . GLU 57 57 17683 1 . VAL 58 58 17683 1 . LEU 59 59 17683 1 . PRO 60 60 17683 1 . LYS 61 61 17683 1 . TYR 62 62 17683 1 . PHE 63 63 17683 1 . LYS 64 64 17683 1 . HIS 65 65 17683 1 . ASN 66 66 17683 1 . ASN 67 67 17683 1 . MET 68 68 17683 1 . ALA 69 69 17683 1 . SER 70 70 17683 1 . PHE 71 71 17683 1 . VAL 72 72 17683 1 . ARG 73 73 17683 1 . GLN 74 74 17683 1 . LEU 75 75 17683 1 . ASN 76 76 17683 1 . MET 77 77 17683 1 . TYR 78 78 17683 1 . GLY 79 79 17683 1 . PHE 80 80 17683 1 . ARG 81 81 17683 1 . LYS 82 82 17683 1 . VAL 83 83 17683 1 . VAL 84 84 17683 1 . HIS 85 85 17683 1 . ILE 86 86 17683 1 . GLU 87 87 17683 1 . GLN 88 88 17683 1 . GLY 89 89 17683 1 . GLY 90 90 17683 1 . LEU 91 91 17683 1 . VAL 92 92 17683 1 . LYS 93 93 17683 1 . PRO 94 94 17683 1 . GLU 95 95 17683 1 . ARG 96 96 17683 1 . ASP 97 97 17683 1 . ASP 98 98 17683 1 . THR 99 99 17683 1 . GLU 100 100 17683 1 . PHE 101 101 17683 1 . GLN 102 102 17683 1 . HIS 103 103 17683 1 . PRO 104 104 17683 1 . CYS 105 105 17683 1 . PHE 106 106 17683 1 . LEU 107 107 17683 1 . ARG 108 108 17683 1 . GLY 109 109 17683 1 . GLN 110 110 17683 1 . GLU 111 111 17683 1 . GLN 112 112 17683 1 . LEU 113 113 17683 1 . LEU 114 114 17683 1 . GLU 115 115 17683 1 . ASN 116 116 17683 1 . ILE 117 117 17683 1 . LYS 118 118 17683 1 . ARG 119 119 17683 1 . LYS 120 120 17683 1 . VAL 121 121 17683 1 . THR 122 122 17683 1 . SER 123 123 17683 1 . VAL 124 124 17683 1 . SER 125 125 17683 1 stop_ save_ #################### # Natural source # #################### save_natural_source _Entity_natural_src_list.Sf_category natural_source _Entity_natural_src_list.Sf_framecode natural_source _Entity_natural_src_list.Entry_ID 17683 _Entity_natural_src_list.ID 1 loop_ _Entity_natural_src.ID _Entity_natural_src.Entity_ID _Entity_natural_src.Entity_label _Entity_natural_src.Entity_chimera_segment_ID _Entity_natural_src.NCBI_taxonomy_ID _Entity_natural_src.Type _Entity_natural_src.Common _Entity_natural_src.Organism_name_scientific _Entity_natural_src.Organism_name_common _Entity_natural_src.Organism_acronym _Entity_natural_src.ICTVdb_decimal_code _Entity_natural_src.Superkingdom _Entity_natural_src.Kingdom _Entity_natural_src.Genus _Entity_natural_src.Species _Entity_natural_src.Strain _Entity_natural_src.Variant _Entity_natural_src.Subvariant _Entity_natural_src.Organ _Entity_natural_src.Tissue _Entity_natural_src.Tissue_fraction _Entity_natural_src.Cell_line _Entity_natural_src.Cell_type _Entity_natural_src.ATCC_number _Entity_natural_src.Organelle _Entity_natural_src.Cellular_location _Entity_natural_src.Fragment _Entity_natural_src.Fraction _Entity_natural_src.Secretion _Entity_natural_src.Plasmid _Entity_natural_src.Plasmid_details _Entity_natural_src.Gene_mnemonic _Entity_natural_src.Dev_stage _Entity_natural_src.Details _Entity_natural_src.Citation_ID _Entity_natural_src.Citation_label _Entity_natural_src.Entry_ID _Entity_natural_src.Entity_natural_src_list_ID 1 1 $HR3023C . 9606 organism . 'Homo sapiens' Human . . Eukaryota Metazoa Homo sapiens . . . . . . . . . . . . . . . . HSF1_HUMAN . 'Q00613 (HSF1_HUMAN)' . . 17683 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 17683 _Entity_experimental_src_list.ID 1 loop_ _Entity_experimental_src.ID _Entity_experimental_src.Entity_ID _Entity_experimental_src.Entity_label _Entity_experimental_src.Entity_chimera_segment_ID _Entity_experimental_src.Production_method _Entity_experimental_src.Host_org_scientific_name _Entity_experimental_src.Host_org_name_common _Entity_experimental_src.Host_org_details _Entity_experimental_src.Host_org_NCBI_taxonomy_ID _Entity_experimental_src.Host_org_genus _Entity_experimental_src.Host_org_species _Entity_experimental_src.Host_org_strain _Entity_experimental_src.Host_org_variant _Entity_experimental_src.Host_org_subvariant _Entity_experimental_src.Host_org_organ _Entity_experimental_src.Host_org_tissue _Entity_experimental_src.Host_org_tissue_fraction _Entity_experimental_src.Host_org_cell_line _Entity_experimental_src.Host_org_cell_type _Entity_experimental_src.Host_org_cellular_location _Entity_experimental_src.Host_org_organelle _Entity_experimental_src.Host_org_gene _Entity_experimental_src.Host_org_culture_collection _Entity_experimental_src.Host_org_ATCC_number _Entity_experimental_src.Vector_type _Entity_experimental_src.PDBview_host_org_vector_name _Entity_experimental_src.PDBview_plasmid_name _Entity_experimental_src.Vector_name _Entity_experimental_src.Vector_details _Entity_experimental_src.Vendor_name _Entity_experimental_src.Host_org_dev_stage _Entity_experimental_src.Details _Entity_experimental_src.Citation_ID _Entity_experimental_src.Citation_label _Entity_experimental_src.Entry_ID _Entity_experimental_src.Entity_experimental_src_list_ID 1 1 $HR3023C . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli . . . . . . . . . . . . . . . . 'pET 14-15C' . . . . . . 17683 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_NC _Sample.Sf_category sample _Sample.Sf_framecode sample_NC _Sample.Entry_ID 17683 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details '0.51 mM [U-100% 13C; U-100% 15N], 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 HR3023C '[U-100% 13C; U-100% 15N]' . . 1 $HR3023C . . 0.51 . . mM . . . . 17683 1 2 H2O 'natural abundance' . . . . . . 90 . . % . . . . 17683 1 3 D2O 'natural abundance' . . . . . . 10 . . % . . . . 17683 1 stop_ save_ save_sample_NC5 _Sample.Sf_category sample _Sample.Sf_framecode sample_NC5 _Sample.Entry_ID 17683 _Sample.ID 2 _Sample.Type solution _Sample.Sub_type . _Sample.Details 'NMR buffer 6.5 -- 0.02% NaN3, 10mM DTT, 5mM CaCL2, 100mM NaCL, 1x Proteinase Inhibitors, 20mM MES pH 6.5, 10% D2O, 50uM DSS' _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 HR3023C '[U-100% 13C; U-100% 15N]' . . 1 $HR3023C . . 0.43 . . mM . . . . 17683 2 2 NaN3 'natural abundance' . . . . . . 0.02 . . % . . . . 17683 2 3 DTT 'natural abundance' . . . . . . 10 . . mM . . . . 17683 2 4 CaCL2 'natural abundance' . . . . . . 5 . . mM . . . . 17683 2 5 NaCL 'natural abundance' . . . . . . 100 . . mM . . . . 17683 2 6 'Proteinase Inhibitors' 'natural abundance' . . . . . . 1 . . x . . . . 17683 2 7 MES 'natural abundance' . . . . . . 20 . . mM . . . . 17683 2 8 DSS 'natural abundance' . . . . . . 50 . . uM . . . . 17683 2 9 D2O 'natural abundance' . . . . . . 10 . . % . . . . 17683 2 10 H2O 'natural abundance' . . . . . . 90 . . % . . . . 17683 2 stop_ save_ save_sample_NC5_pol _Sample.Sf_category sample _Sample.Sf_framecode sample_NC5_pol _Sample.Entry_ID 17683 _Sample.ID 3 _Sample.Type gel _Sample.Sub_type . _Sample.Details ; NMR buffer 6.5 -- 0.02% NaN3, 10mM DTT, 5mM CaCL2, 100mM NaCL, 1x Proteinase Inhibitors, 20mM MES pH 6.5, 10% D2O, 50uM DSS aligned in Positively Charged Compressed Poly Acrylamide Gel. ; _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 HR3023C '[U-100% 13C; U-100% 15N]' . . 1 $HR3023C . . 0.43 . . mM . . . . 17683 3 2 NaN3 'natural abundance' . . . . . . 0.02 . . % . . . . 17683 3 3 DTT 'natural abundance' . . . . . . 10 . . mM . . . . 17683 3 4 CaCL2 'natural abundance' . . . . . . 5 . . mM . . . . 17683 3 5 NaCL 'natural abundance' . . . . . . 100 . . mM . . . . 17683 3 6 'Proteinase Inhibitors' 'natural abundance' . . . . . . 1 . . x . . . . 17683 3 7 MES 'natural abundance' . . . . . . 20 . . mM . . . . 17683 3 8 DSS 'natural abundance' . . . . . . 50 . . uM . . . . 17683 3 9 D2O 'natural abundance' . . . . . . 10 . . % . . . . 17683 3 10 H2O 'natural abundance' . . . . . . 90 . . % . . . . 17683 3 stop_ save_ save_sample_NC5_peg _Sample.Sf_category sample _Sample.Sf_framecode sample_NC5_peg _Sample.Entry_ID 17683 _Sample.ID 4 _Sample.Type solution _Sample.Sub_type . _Sample.Details ; NMR buffer 6.5 -- 0.02% NaN3, 10mM DTT, 5mM CaCL2, 100mM NaCL, 1x Proteinase Inhibitors, 20mM MES pH 6.5, 10% D2O, 50uM DSS aligned in Peg/hexanol. ; _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 HR3023C '[U-100% 13C; U-100% 15N]' . . 1 $HR3023C . . 0.43 . . mM . . . . 17683 4 2 NaN3 'natural abundance' . . . . . . 0.02 . . % . . . . 17683 4 3 DTT 'natural abundance' . . . . . . 10 . . mM . . . . 17683 4 4 CaCL2 'natural abundance' . . . . . . 5 . . mM . . . . 17683 4 5 NaCL 'natural abundance' . . . . . . 100 . . mM . . . . 17683 4 6 'Proteinase Inhibitors' 'natural abundance' . . . . . . 1 . . x . . . . 17683 4 7 MES 'natural abundance' . . . . . . 20 . . mM . . . . 17683 4 8 DSS 'natural abundance' . . . . . . 50 . . uM . . . . 17683 4 9 D2O 'natural abundance' . . . . . . 10 . . % . . . . 17683 4 10 H2O 'natural abundance' . . . . . . 90 . . % . . . . 17683 4 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 17683 _Sample_condition_list.ID 1 _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID pH 6.5 . pH 17683 1 pressure 1 . atm 17683 1 temperature 298 . K 17683 1 stop_ save_ ############################ # Computer software used # ############################ save_CNS _Software.Sf_category software _Software.Sf_framecode CNS _Software.Entry_ID 17683 _Software.ID 1 _Software.Name CNS _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Brunger, Adams, Clore, Gros, Nilges and Read' . . 17683 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'refinemen,structure solution,geometry optimization' 17683 1 stop_ save_ save_CYANA _Software.Sf_category software _Software.Sf_framecode CYANA _Software.Entry_ID 17683 _Software.ID 2 _Software.Name CYANA _Software.Version 3.0 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Guntert, Mumenthaler and Wuthrich' . . 17683 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'refinement,geometry optimization,structure solution' 17683 2 stop_ save_ save_AutoStructure _Software.Sf_category software _Software.Sf_framecode AutoStructure _Software.Entry_ID 17683 _Software.ID 3 _Software.Name AutoStruct _Software.Version 2.1 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Huang, Tejero, Powers and Montelione' . . 17683 3 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis,refinement' 17683 3 stop_ save_ save_AutoAssign _Software.Sf_category software _Software.Sf_framecode AutoAssign _Software.Entry_ID 17683 _Software.ID 4 _Software.Name AutoAssign _Software.Version 2.1 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Zimmerman, Moseley, Kulikowski and Montelione' . . 17683 4 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis,chemical shift assignment' 17683 4 stop_ save_ save_NMRPipe _Software.Sf_category software _Software.Sf_framecode NMRPipe _Software.Entry_ID 17683 _Software.ID 5 _Software.Name NMRPipe _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax' . . 17683 5 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID processing 17683 5 stop_ save_ save_XEASY _Software.Sf_category software _Software.Sf_framecode XEASY _Software.Entry_ID 17683 _Software.ID 6 _Software.Name XEASY _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Bartels et al.' . . 17683 6 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis,peak picking,chemical shift assignment' 17683 6 stop_ save_ save_TOPSPIN _Software.Sf_category software _Software.Sf_framecode TOPSPIN _Software.Entry_ID 17683 _Software.ID 7 _Software.Name TOPSPIN _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Bruker Biospin' . . 17683 7 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID collection 17683 7 stop_ save_ save_VNMRJ _Software.Sf_category software _Software.Sf_framecode VNMRJ _Software.Entry_ID 17683 _Software.ID 8 _Software.Name VNMRJ _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID Varian . . 17683 8 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID collection 17683 8 stop_ save_ save_SPARKY _Software.Sf_category software _Software.Sf_framecode SPARKY _Software.Entry_ID 17683 _Software.ID 9 _Software.Name SPARKY _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID Goddard . . 17683 9 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 17683 9 stop_ save_ save_TALOS+ _Software.Sf_category software _Software.Sf_framecode TALOS+ _Software.Entry_ID 17683 _Software.ID 10 _Software.Name TALOS+ _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Shen, Cornilescu, Delaglio and Bax' . . 17683 10 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'geometry optimization' 17683 10 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_1 _NMR_spectrometer.Entry_ID 17683 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 800 save_ save_spectrometer_2 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_2 _NMR_spectrometer.Entry_ID 17683 _NMR_spectrometer.ID 2 _NMR_spectrometer.Details 'at Rutgers' _NMR_spectrometer.Manufacturer Varian _NMR_spectrometer.Model INOVA _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ save_spectrometer_3 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_3 _NMR_spectrometer.Entry_ID 17683 _NMR_spectrometer.ID 3 _NMR_spectrometer.Details 'at University of Georgia' _NMR_spectrometer.Manufacturer Varian _NMR_spectrometer.Model INOVA _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ save_NMR_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode NMR_spectrometer_list _NMR_spectrometer_list.Entry_ID 17683 _NMR_spectrometer_list.ID 1 loop_ _NMR_spectrometer_view.ID _NMR_spectrometer_view.Name _NMR_spectrometer_view.Manufacturer _NMR_spectrometer_view.Model _NMR_spectrometer_view.Serial_number _NMR_spectrometer_view.Field_strength _NMR_spectrometer_view.Details _NMR_spectrometer_view.Citation_ID _NMR_spectrometer_view.Citation_label _NMR_spectrometer_view.Entry_ID _NMR_spectrometer_view.NMR_spectrometer_list_ID 1 spectrometer_1 Bruker Avance . 800 . . . 17683 1 2 spectrometer_2 Varian INOVA . 600 'at Rutgers' . . 17683 1 3 spectrometer_3 Varian INOVA . 600 'at University of Georgia' . . 17683 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 17683 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NMR_spec_expt_ID _Experiment.NMR_spec_expt_label _Experiment.MS_expt_ID _Experiment.MS_expt_label _Experiment.SAXS_expt_ID _Experiment.SAXS_expt_label _Experiment.FRET_expt_ID _Experiment.FRET_expt_label _Experiment.EMR_expt_ID _Experiment.EMR_expt_label _Experiment.Sample_ID _Experiment.Sample_label _Experiment.Sample_state _Experiment.Sample_volume _Experiment.Sample_volume_units _Experiment.Sample_condition_list_ID _Experiment.Sample_condition_list_label _Experiment.Sample_spinning_rate _Experiment.Sample_angle _Experiment.NMR_tube_type _Experiment.NMR_spectrometer_ID _Experiment.NMR_spectrometer_label _Experiment.NMR_spectrometer_probe_ID _Experiment.NMR_spectrometer_probe_label _Experiment.NMR_spectral_processing_ID _Experiment.NMR_spectral_processing_label _Experiment.Mass_spectrometer_ID _Experiment.Mass_spectrometer_label _Experiment.Xray_instrument_ID _Experiment.Xray_instrument_label _Experiment.Fluorescence_instrument_ID _Experiment.Fluorescence_instrument_label _Experiment.EMR_instrument_ID _Experiment.EMR_instrument_label _Experiment.Chromatographic_system_ID _Experiment.Chromatographic_system_label _Experiment.Chromatographic_column_ID _Experiment.Chromatographic_column_label _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 '2D 1H-15N HSQC' no . . . . . . . . . . 1 $sample_NC isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17683 1 2 '2D 1H-13C HSQC' no . . . . . . . . . . 2 $sample_NC5 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17683 1 3 '3D HNCO' no . . . . . . . . . . 1 $sample_NC isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17683 1 4 '3D CBCA(CO)NH' no . . . . . . . . . . 1 $sample_NC isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17683 1 5 '3D HNCACB' no . . . . . . . . . . 1 $sample_NC isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17683 1 6 '3D 1H-13C arom NOESY' no . . . . . . . . . . 1 $sample_NC isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17683 1 7 '3D simutaneous 13C-aromatic,13C-aliphatic,15N edited 1H-1H NOESY' no . . . . . . . . . . 1 $sample_NC isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17683 1 8 '2D 1H-13C HSQC aromatic' no . . . . . . . . . . 1 $sample_NC isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 17683 1 9 '2D 1H-15N HSQC' no . . . . . . . . . . 3 $sample_NC5_pol isotropic . . 1 $sample_conditions_1 . . . 3 $spectrometer_3 . . . . . . . . . . . . . . . . 17683 1 10 '2D 1H-15N HSQC' no . . . . . . . . . . 4 $sample_NC5_peg isotropic . . 1 $sample_conditions_1 . . . 3 $spectrometer_3 . . . . . . . . . . . . . . . . 17683 1 stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference_1 _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chemical_shift_reference_1 _Chem_shift_reference.Entry_ID 17683 _Chem_shift_reference.ID 1 _Chem_shift_reference.Details . loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Indirect_shift_ratio_cit_ID _Chem_shift_ref.Indirect_shift_ratio_cit_label _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Correction_val_cit_ID _Chem_shift_ref.Correction_val_cit_label _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C 13 DSS 'methyl protons' . . . . ppm 0.00 . indirect 0.251449530 . . . . . . . . . 17683 1 H 1 DSS 'methyl protons' . . . . ppm 0.00 internal direct 1.000000000 . . . . . . . . . 17683 1 N 15 DSS 'methyl protons' . . . . ppm 0.00 . indirect 0.101329118 . . . . . . . . . 17683 1 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_assigned_chem_shift_list_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chem_shift_list_1 _Assigned_chem_shift_list.Entry_ID 17683 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 1 '2D 1H-15N HSQC' . . . 17683 1 4 '3D CBCA(CO)NH' . . . 17683 1 5 '3D HNCACB' . . . 17683 1 7 '3D simutaneous 13C-aromatic,13C-aliphatic,15N edited 1H-1H NOESY' . . . 17683 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 1 10 10 HIS HA H 1 4.651 0.020 . 1 . . . . 10 HIS HA . 17683 1 2 . 1 1 10 10 HIS HB2 H 1 3.178 0.020 . 2 . . . . 10 HIS HB2 . 17683 1 3 . 1 1 10 10 HIS HB3 H 1 3.125 0.020 . 2 . . . . 10 HIS HB3 . 17683 1 4 . 1 1 10 10 HIS HD2 H 1 7.074 0.020 . 1 . . . . 10 HIS HD2 . 17683 1 5 . 1 1 10 10 HIS C C 13 174.834 0.400 . 1 . . . . 10 HIS C . 17683 1 6 . 1 1 10 10 HIS CA C 13 56.324 0.400 . 1 . . . . 10 HIS CA . 17683 1 7 . 1 1 10 10 HIS CB C 13 29.942 0.400 . 1 . . . . 10 HIS CB . 17683 1 8 . 1 1 11 11 MET H H 1 8.251 0.020 . 1 . . . . 11 MET H . 17683 1 9 . 1 1 11 11 MET HA H 1 4.420 0.020 . 1 . . . . 11 MET HA . 17683 1 10 . 1 1 11 11 MET HB2 H 1 1.898 0.020 . 2 . . . . 11 MET HB2 . 17683 1 11 . 1 1 11 11 MET HB3 H 1 2.053 0.020 . 2 . . . . 11 MET HB3 . 17683 1 12 . 1 1 11 11 MET HG2 H 1 2.422 0.020 . 2 . . . . 11 MET HG2 . 17683 1 13 . 1 1 11 11 MET HG3 H 1 2.465 0.020 . 2 . . . . 11 MET HG3 . 17683 1 14 . 1 1 11 11 MET HE1 H 1 2.040 0.020 . 1 . . . . 11 MET HE1 . 17683 1 15 . 1 1 11 11 MET HE2 H 1 2.040 0.020 . 1 . . . . 11 MET HE2 . 17683 1 16 . 1 1 11 11 MET HE3 H 1 2.040 0.020 . 1 . . . . 11 MET HE3 . 17683 1 17 . 1 1 11 11 MET C C 13 175.345 0.400 . 1 . . . . 11 MET C . 17683 1 18 . 1 1 11 11 MET CA C 13 55.337 0.400 . 1 . . . . 11 MET CA . 17683 1 19 . 1 1 11 11 MET CB C 13 32.700 0.400 . 1 . . . . 11 MET CB . 17683 1 20 . 1 1 11 11 MET CG C 13 32.070 0.400 . 1 . . . . 11 MET CG . 17683 1 21 . 1 1 11 11 MET CE C 13 16.722 0.400 . 1 . . . . 11 MET CE . 17683 1 22 . 1 1 11 11 MET N N 15 121.689 0.400 . 1 . . . . 11 MET N . 17683 1 23 . 1 1 12 12 ALA H H 1 8.333 0.020 . 1 . . . . 12 ALA H . 17683 1 24 . 1 1 12 12 ALA HA H 1 4.346 0.020 . 1 . . . . 12 ALA HA . 17683 1 25 . 1 1 12 12 ALA HB1 H 1 1.388 0.020 . 1 . . . . 12 ALA HB1 . 17683 1 26 . 1 1 12 12 ALA HB2 H 1 1.388 0.020 . 1 . . . . 12 ALA HB2 . 17683 1 27 . 1 1 12 12 ALA HB3 H 1 1.388 0.020 . 1 . . . . 12 ALA HB3 . 17683 1 28 . 1 1 12 12 ALA C C 13 177.388 0.400 . 1 . . . . 12 ALA C . 17683 1 29 . 1 1 12 12 ALA CA C 13 52.148 0.400 . 1 . . . . 12 ALA CA . 17683 1 30 . 1 1 12 12 ALA CB C 13 19.248 0.400 . 1 . . . . 12 ALA CB . 17683 1 31 . 1 1 12 12 ALA N N 15 125.404 0.400 . 1 . . . . 12 ALA N . 17683 1 32 . 1 1 13 13 GLY H H 1 8.194 0.020 . 1 . . . . 13 GLY H . 17683 1 33 . 1 1 13 13 GLY HA2 H 1 4.019 0.020 . 2 . . . . 13 GLY HA2 . 17683 1 34 . 1 1 13 13 GLY HA3 H 1 4.127 0.020 . 2 . . . . 13 GLY HA3 . 17683 1 35 . 1 1 13 13 GLY CA C 13 44.168 0.400 . 1 . . . . 13 GLY CA . 17683 1 36 . 1 1 13 13 GLY N N 15 108.257 0.400 . 1 . . . . 13 GLY N . 17683 1 37 . 1 1 14 14 PRO HA H 1 4.451 0.020 . 1 . . . . 14 PRO HA . 17683 1 38 . 1 1 14 14 PRO HB2 H 1 2.272 0.020 . 2 . . . . 14 PRO HB2 . 17683 1 39 . 1 1 14 14 PRO HB3 H 1 1.933 0.020 . 2 . . . . 14 PRO HB3 . 17683 1 40 . 1 1 14 14 PRO HG2 H 1 1.986 0.020 . 1 . . . . 14 PRO HG2 . 17683 1 41 . 1 1 14 14 PRO HG3 H 1 1.986 0.020 . 1 . . . . 14 PRO HG3 . 17683 1 42 . 1 1 14 14 PRO HD2 H 1 3.581 0.020 . 1 . . . . 14 PRO HD2 . 17683 1 43 . 1 1 14 14 PRO HD3 H 1 3.580 0.020 . 1 . . . . 14 PRO HD3 . 17683 1 44 . 1 1 14 14 PRO C C 13 177.058 0.400 . 1 . . . . 14 PRO C . 17683 1 45 . 1 1 14 14 PRO CA C 13 62.750 0.400 . 1 . . . . 14 PRO CA . 17683 1 46 . 1 1 14 14 PRO CB C 13 32.000 0.400 . 1 . . . . 14 PRO CB . 17683 1 47 . 1 1 14 14 PRO CG C 13 26.753 0.400 . 1 . . . . 14 PRO CG . 17683 1 48 . 1 1 14 14 PRO CD C 13 49.414 0.400 . 1 . . . . 14 PRO CD . 17683 1 49 . 1 1 15 15 SER H H 1 8.514 0.020 . 1 . . . . 15 SER H . 17683 1 50 . 1 1 15 15 SER HA H 1 4.443 0.020 . 1 . . . . 15 SER HA . 17683 1 51 . 1 1 15 15 SER HB2 H 1 3.892 0.020 . 2 . . . . 15 SER HB2 . 17683 1 52 . 1 1 15 15 SER HB3 H 1 3.802 0.020 . 2 . . . . 15 SER HB3 . 17683 1 53 . 1 1 15 15 SER HG H 1 4.838 0.020 . 1 . . . . 15 SER HG . 17683 1 54 . 1 1 15 15 SER C C 13 174.263 0.400 . 1 . . . . 15 SER C . 17683 1 55 . 1 1 15 15 SER CA C 13 58.017 0.400 . 1 . . . . 15 SER CA . 17683 1 56 . 1 1 15 15 SER CB C 13 63.851 0.400 . 1 . . . . 15 SER CB . 17683 1 57 . 1 1 15 15 SER N N 15 115.934 0.400 . 1 . . . . 15 SER N . 17683 1 58 . 1 1 16 16 ASN H H 1 8.699 0.020 . 1 . . . . 16 ASN H . 17683 1 59 . 1 1 16 16 ASN HA H 1 4.754 0.020 . 1 . . . . 16 ASN HA . 17683 1 60 . 1 1 16 16 ASN HB2 H 1 2.880 0.020 . 2 . . . . 16 ASN HB2 . 17683 1 61 . 1 1 16 16 ASN HB3 H 1 2.752 0.020 . 2 . . . . 16 ASN HB3 . 17683 1 62 . 1 1 16 16 ASN HD21 H 1 7.653 0.020 . 2 . . . . 16 ASN HD21 . 17683 1 63 . 1 1 16 16 ASN HD22 H 1 6.920 0.020 . 2 . . . . 16 ASN HD22 . 17683 1 64 . 1 1 16 16 ASN C C 13 174.443 0.400 . 1 . . . . 16 ASN C . 17683 1 65 . 1 1 16 16 ASN CA C 13 53.177 0.400 . 1 . . . . 16 ASN CA . 17683 1 66 . 1 1 16 16 ASN CB C 13 38.667 0.400 . 1 . . . . 16 ASN CB . 17683 1 67 . 1 1 16 16 ASN N N 15 121.161 0.400 . 1 . . . . 16 ASN N . 17683 1 68 . 1 1 16 16 ASN ND2 N 15 112.830 0.400 . 1 . . . . 16 ASN ND2 . 17683 1 69 . 1 1 17 17 VAL H H 1 8.041 0.020 . 1 . . . . 17 VAL H . 17683 1 70 . 1 1 17 17 VAL HA H 1 4.320 0.020 . 1 . . . . 17 VAL HA . 17683 1 71 . 1 1 17 17 VAL HB H 1 1.823 0.020 . 1 . . . . 17 VAL HB . 17683 1 72 . 1 1 17 17 VAL HG11 H 1 0.958 0.020 . 2 . . . . 17 VAL HG11 . 17683 1 73 . 1 1 17 17 VAL HG12 H 1 0.958 0.020 . 2 . . . . 17 VAL HG12 . 17683 1 74 . 1 1 17 17 VAL HG13 H 1 0.958 0.020 . 2 . . . . 17 VAL HG13 . 17683 1 75 . 1 1 17 17 VAL HG21 H 1 0.848 0.020 . 2 . . . . 17 VAL HG21 . 17683 1 76 . 1 1 17 17 VAL HG22 H 1 0.848 0.020 . 2 . . . . 17 VAL HG22 . 17683 1 77 . 1 1 17 17 VAL HG23 H 1 0.848 0.020 . 2 . . . . 17 VAL HG23 . 17683 1 78 . 1 1 17 17 VAL CA C 13 60.194 0.400 . 1 . . . . 17 VAL CA . 17683 1 79 . 1 1 17 17 VAL CB C 13 33.284 0.400 . 1 . . . . 17 VAL CB . 17683 1 80 . 1 1 17 17 VAL CG1 C 13 21.578 0.400 . 1 . . . . 17 VAL CG1 . 17683 1 81 . 1 1 17 17 VAL CG2 C 13 21.865 0.400 . 1 . . . . 17 VAL CG2 . 17683 1 82 . 1 1 17 17 VAL N N 15 123.030 0.400 . 1 . . . . 17 VAL N . 17683 1 83 . 1 1 18 18 PRO HA H 1 4.445 0.020 . 1 . . . . 18 PRO HA . 17683 1 84 . 1 1 18 18 PRO HB2 H 1 1.874 0.020 . 2 . . . . 18 PRO HB2 . 17683 1 85 . 1 1 18 18 PRO HB3 H 1 2.654 0.020 . 2 . . . . 18 PRO HB3 . 17683 1 86 . 1 1 18 18 PRO HG2 H 1 2.283 0.020 . 2 . . . . 18 PRO HG2 . 17683 1 87 . 1 1 18 18 PRO HG3 H 1 2.207 0.020 . 2 . . . . 18 PRO HG3 . 17683 1 88 . 1 1 18 18 PRO HD2 H 1 3.859 0.020 . 2 . . . . 18 PRO HD2 . 17683 1 89 . 1 1 18 18 PRO HD3 H 1 4.110 0.020 . 2 . . . . 18 PRO HD3 . 17683 1 90 . 1 1 18 18 PRO C C 13 177.028 0.400 . 1 . . . . 18 PRO C . 17683 1 91 . 1 1 18 18 PRO CA C 13 63.697 0.400 . 1 . . . . 18 PRO CA . 17683 1 92 . 1 1 18 18 PRO CB C 13 32.536 0.400 . 1 . . . . 18 PRO CB . 17683 1 93 . 1 1 18 18 PRO CG C 13 27.757 0.400 . 1 . . . . 18 PRO CG . 17683 1 94 . 1 1 18 18 PRO CD C 13 51.611 0.400 . 1 . . . . 18 PRO CD . 17683 1 95 . 1 1 19 19 ALA H H 1 8.788 0.020 . 1 . . . . 19 ALA H . 17683 1 96 . 1 1 19 19 ALA HA H 1 4.229 0.020 . 1 . . . . 19 ALA HA . 17683 1 97 . 1 1 19 19 ALA HB1 H 1 1.560 0.020 . 1 . . . . 19 ALA HB1 . 17683 1 98 . 1 1 19 19 ALA HB2 H 1 1.560 0.020 . 1 . . . . 19 ALA HB2 . 17683 1 99 . 1 1 19 19 ALA HB3 H 1 1.560 0.020 . 1 . . . . 19 ALA HB3 . 17683 1 100 . 1 1 19 19 ALA C C 13 178.711 0.400 . 1 . . . . 19 ALA C . 17683 1 101 . 1 1 19 19 ALA CA C 13 54.970 0.400 . 1 . . . . 19 ALA CA . 17683 1 102 . 1 1 19 19 ALA CB C 13 18.202 0.400 . 1 . . . . 19 ALA CB . 17683 1 103 . 1 1 19 19 ALA N N 15 128.241 0.400 . 1 . . . . 19 ALA N . 17683 1 104 . 1 1 20 20 PHE H H 1 8.923 0.020 . 1 . . . . 20 PHE H . 17683 1 105 . 1 1 20 20 PHE HA H 1 4.278 0.020 . 1 . . . . 20 PHE HA . 17683 1 106 . 1 1 20 20 PHE HB2 H 1 3.608 0.020 . 2 . . . . 20 PHE HB2 . 17683 1 107 . 1 1 20 20 PHE HB3 H 1 2.514 0.020 . 2 . . . . 20 PHE HB3 . 17683 1 108 . 1 1 20 20 PHE HD1 H 1 6.983 0.020 . 1 . . . . 20 PHE HD1 . 17683 1 109 . 1 1 20 20 PHE HD2 H 1 6.983 0.020 . 1 . . . . 20 PHE HD2 . 17683 1 110 . 1 1 20 20 PHE HE1 H 1 6.553 0.020 . 1 . . . . 20 PHE HE1 . 17683 1 111 . 1 1 20 20 PHE HE2 H 1 6.553 0.020 . 1 . . . . 20 PHE HE2 . 17683 1 112 . 1 1 20 20 PHE HZ H 1 6.282 0.020 . 1 . . . . 20 PHE HZ . 17683 1 113 . 1 1 20 20 PHE C C 13 176.126 0.400 . 1 . . . . 20 PHE C . 17683 1 114 . 1 1 20 20 PHE CA C 13 62.138 0.400 . 1 . . . . 20 PHE CA . 17683 1 115 . 1 1 20 20 PHE CB C 13 40.680 0.400 . 1 . . . . 20 PHE CB . 17683 1 116 . 1 1 20 20 PHE CD1 C 13 132.362 0.400 . 1 . . . . 20 PHE CD1 . 17683 1 117 . 1 1 20 20 PHE CD2 C 13 132.453 0.400 . 1 . . . . 20 PHE CD2 . 17683 1 118 . 1 1 20 20 PHE CE1 C 13 130.180 0.400 . 1 . . . . 20 PHE CE1 . 17683 1 119 . 1 1 20 20 PHE CE2 C 13 129.965 0.400 . 1 . . . . 20 PHE CE2 . 17683 1 120 . 1 1 20 20 PHE CZ C 13 128.875 0.400 . 1 . . . . 20 PHE CZ . 17683 1 121 . 1 1 20 20 PHE N N 15 115.643 0.400 . 1 . . . . 20 PHE N . 17683 1 122 . 1 1 21 21 LEU H H 1 7.066 0.020 . 1 . . . . 21 LEU H . 17683 1 123 . 1 1 21 21 LEU HA H 1 3.853 0.020 . 1 . . . . 21 LEU HA . 17683 1 124 . 1 1 21 21 LEU HB2 H 1 1.336 0.020 . 2 . . . . 21 LEU HB2 . 17683 1 125 . 1 1 21 21 LEU HB3 H 1 1.958 0.020 . 2 . . . . 21 LEU HB3 . 17683 1 126 . 1 1 21 21 LEU HG H 1 1.253 0.020 . 1 . . . . 21 LEU HG . 17683 1 127 . 1 1 21 21 LEU HD11 H 1 0.755 0.020 . 2 . . . . 21 LEU HD11 . 17683 1 128 . 1 1 21 21 LEU HD12 H 1 0.755 0.020 . 2 . . . . 21 LEU HD12 . 17683 1 129 . 1 1 21 21 LEU HD13 H 1 0.755 0.020 . 2 . . . . 21 LEU HD13 . 17683 1 130 . 1 1 21 21 LEU HD21 H 1 0.644 0.020 . 2 . . . . 21 LEU HD21 . 17683 1 131 . 1 1 21 21 LEU HD22 H 1 0.644 0.020 . 2 . . . . 21 LEU HD22 . 17683 1 132 . 1 1 21 21 LEU HD23 H 1 0.644 0.020 . 2 . . . . 21 LEU HD23 . 17683 1 133 . 1 1 21 21 LEU C C 13 178.531 0.400 . 1 . . . . 21 LEU C . 17683 1 134 . 1 1 21 21 LEU CA C 13 56.716 0.400 . 1 . . . . 21 LEU CA . 17683 1 135 . 1 1 21 21 LEU CB C 13 42.416 0.400 . 1 . . . . 21 LEU CB . 17683 1 136 . 1 1 21 21 LEU CG C 13 26.928 0.400 . 1 . . . . 21 LEU CG . 17683 1 137 . 1 1 21 21 LEU CD1 C 13 26.062 0.400 . 1 . . . . 21 LEU CD1 . 17683 1 138 . 1 1 21 21 LEU CD2 C 13 21.915 0.400 . 1 . . . . 21 LEU CD2 . 17683 1 139 . 1 1 21 21 LEU N N 15 113.210 0.400 . 1 . . . . 21 LEU N . 17683 1 140 . 1 1 22 22 THR H H 1 7.516 0.020 . 1 . . . . 22 THR H . 17683 1 141 . 1 1 22 22 THR HA H 1 3.888 0.020 . 1 . . . . 22 THR HA . 17683 1 142 . 1 1 22 22 THR HB H 1 4.124 0.020 . 1 . . . . 22 THR HB . 17683 1 143 . 1 1 22 22 THR HG21 H 1 1.207 0.020 . 1 . . . . 22 THR HG21 . 17683 1 144 . 1 1 22 22 THR HG22 H 1 1.207 0.020 . 1 . . . . 22 THR HG22 . 17683 1 145 . 1 1 22 22 THR HG23 H 1 1.207 0.020 . 1 . . . . 22 THR HG23 . 17683 1 146 . 1 1 22 22 THR C C 13 177.719 0.400 . 1 . . . . 22 THR C . 17683 1 147 . 1 1 22 22 THR CA C 13 66.257 0.400 . 1 . . . . 22 THR CA . 17683 1 148 . 1 1 22 22 THR CB C 13 68.035 0.400 . 1 . . . . 22 THR CB . 17683 1 149 . 1 1 22 22 THR CG2 C 13 22.151 0.400 . 1 . . . . 22 THR CG2 . 17683 1 150 . 1 1 22 22 THR N N 15 115.147 0.400 . 1 . . . . 22 THR N . 17683 1 151 . 1 1 23 23 LYS H H 1 8.733 0.020 . 1 . . . . 23 LYS H . 17683 1 152 . 1 1 23 23 LYS HA H 1 4.021 0.020 . 1 . . . . 23 LYS HA . 17683 1 153 . 1 1 23 23 LYS HB2 H 1 1.918 0.020 . 2 . . . . 23 LYS HB2 . 17683 1 154 . 1 1 23 23 LYS HB3 H 1 1.446 0.020 . 2 . . . . 23 LYS HB3 . 17683 1 155 . 1 1 23 23 LYS HG2 H 1 1.583 0.020 . 2 . . . . 23 LYS HG2 . 17683 1 156 . 1 1 23 23 LYS HG3 H 1 1.348 0.020 . 2 . . . . 23 LYS HG3 . 17683 1 157 . 1 1 23 23 LYS HD2 H 1 1.583 0.020 . 1 . . . . 23 LYS HD2 . 17683 1 158 . 1 1 23 23 LYS HD3 H 1 1.583 0.020 . 1 . . . . 23 LYS HD3 . 17683 1 159 . 1 1 23 23 LYS HE2 H 1 2.934 0.020 . 2 . . . . 23 LYS HE2 . 17683 1 160 . 1 1 23 23 LYS HE3 H 1 2.883 0.020 . 2 . . . . 23 LYS HE3 . 17683 1 161 . 1 1 23 23 LYS C C 13 178.380 0.400 . 1 . . . . 23 LYS C . 17683 1 162 . 1 1 23 23 LYS CA C 13 59.496 0.400 . 1 . . . . 23 LYS CA . 17683 1 163 . 1 1 23 23 LYS CB C 13 32.700 0.400 . 1 . . . . 23 LYS CB . 17683 1 164 . 1 1 23 23 LYS CG C 13 25.367 0.400 . 1 . . . . 23 LYS CG . 17683 1 165 . 1 1 23 23 LYS CD C 13 28.780 0.400 . 1 . . . . 23 LYS CD . 17683 1 166 . 1 1 23 23 LYS CE C 13 41.946 0.400 . 1 . . . . 23 LYS CE . 17683 1 167 . 1 1 23 23 LYS N N 15 123.281 0.400 . 1 . . . . 23 LYS N . 17683 1 168 . 1 1 24 24 LEU H H 1 8.318 0.020 . 1 . . . . 24 LEU H . 17683 1 169 . 1 1 24 24 LEU HA H 1 3.857 0.020 . 1 . . . . 24 LEU HA . 17683 1 170 . 1 1 24 24 LEU HB2 H 1 1.750 0.020 . 2 . . . . 24 LEU HB2 . 17683 1 171 . 1 1 24 24 LEU HB3 H 1 0.932 0.020 . 2 . . . . 24 LEU HB3 . 17683 1 172 . 1 1 24 24 LEU HG H 1 1.056 0.020 . 1 . . . . 24 LEU HG . 17683 1 173 . 1 1 24 24 LEU HD11 H 1 0.478 0.020 . 2 . . . . 24 LEU HD11 . 17683 1 174 . 1 1 24 24 LEU HD12 H 1 0.478 0.020 . 2 . . . . 24 LEU HD12 . 17683 1 175 . 1 1 24 24 LEU HD13 H 1 0.478 0.020 . 2 . . . . 24 LEU HD13 . 17683 1 176 . 1 1 24 24 LEU HD21 H 1 -0.151 0.020 . 2 . . . . 24 LEU HD21 . 17683 1 177 . 1 1 24 24 LEU HD22 H 1 -0.151 0.020 . 2 . . . . 24 LEU HD22 . 17683 1 178 . 1 1 24 24 LEU HD23 H 1 -0.151 0.020 . 2 . . . . 24 LEU HD23 . 17683 1 179 . 1 1 24 24 LEU C C 13 176.970 0.400 . 1 . . . . 24 LEU C . 17683 1 180 . 1 1 24 24 LEU CA C 13 58.054 0.400 . 1 . . . . 24 LEU CA . 17683 1 181 . 1 1 24 24 LEU CB C 13 41.420 0.400 . 1 . . . . 24 LEU CB . 17683 1 182 . 1 1 24 24 LEU CG C 13 26.062 0.400 . 1 . . . . 24 LEU CG . 17683 1 183 . 1 1 24 24 LEU CD1 C 13 22.280 0.400 . 1 . . . . 24 LEU CD1 . 17683 1 184 . 1 1 24 24 LEU CD2 C 13 26.410 0.400 . 1 . . . . 24 LEU CD2 . 17683 1 185 . 1 1 24 24 LEU N N 15 119.466 0.400 . 1 . . . . 24 LEU N . 17683 1 186 . 1 1 25 25 TRP H H 1 8.832 0.020 . 1 . . . . 25 TRP H . 17683 1 187 . 1 1 25 25 TRP HA H 1 3.806 0.020 . 1 . . . . 25 TRP HA . 17683 1 188 . 1 1 25 25 TRP HB2 H 1 3.378 0.020 . 2 . . . . 25 TRP HB2 . 17683 1 189 . 1 1 25 25 TRP HB3 H 1 3.488 0.020 . 2 . . . . 25 TRP HB3 . 17683 1 190 . 1 1 25 25 TRP HD1 H 1 7.939 0.020 . 1 . . . . 25 TRP HD1 . 17683 1 191 . 1 1 25 25 TRP HE3 H 1 7.316 0.020 . 1 . . . . 25 TRP HE3 . 17683 1 192 . 1 1 25 25 TRP HZ2 H 1 7.262 0.020 . 1 . . . . 25 TRP HZ2 . 17683 1 193 . 1 1 25 25 TRP HZ3 H 1 7.073 0.020 . 1 . . . . 25 TRP HZ3 . 17683 1 194 . 1 1 25 25 TRP HH2 H 1 7.235 0.020 . 1 . . . . 25 TRP HH2 . 17683 1 195 . 1 1 25 25 TRP C C 13 176.100 0.400 . 1 . . . . 25 TRP C . 17683 1 196 . 1 1 25 25 TRP CA C 13 63.250 0.400 . 1 . . . . 25 TRP CA . 17683 1 197 . 1 1 25 25 TRP CB C 13 29.890 0.400 . 1 . . . . 25 TRP CB . 17683 1 198 . 1 1 25 25 TRP CD1 C 13 126.600 0.400 . 1 . . . . 25 TRP CD1 . 17683 1 199 . 1 1 25 25 TRP CE3 C 13 120.164 0.400 . 1 . . . . 25 TRP CE3 . 17683 1 200 . 1 1 25 25 TRP CZ2 C 13 113.743 0.400 . 1 . . . . 25 TRP CZ2 . 17683 1 201 . 1 1 25 25 TRP CZ3 C 13 122.462 0.400 . 1 . . . . 25 TRP CZ3 . 17683 1 202 . 1 1 25 25 TRP CH2 C 13 124.772 0.400 . 1 . . . . 25 TRP CH2 . 17683 1 203 . 1 1 25 25 TRP N N 15 119.688 0.400 . 1 . . . . 25 TRP N . 17683 1 204 . 1 1 26 26 THR H H 1 8.465 0.020 . 1 . . . . 26 THR H . 17683 1 205 . 1 1 26 26 THR HA H 1 3.802 0.020 . 1 . . . . 26 THR HA . 17683 1 206 . 1 1 26 26 THR HB H 1 4.396 0.020 . 1 . . . . 26 THR HB . 17683 1 207 . 1 1 26 26 THR HG21 H 1 1.423 0.020 . 1 . . . . 26 THR HG21 . 17683 1 208 . 1 1 26 26 THR HG22 H 1 1.423 0.020 . 1 . . . . 26 THR HG22 . 17683 1 209 . 1 1 26 26 THR HG23 H 1 1.423 0.020 . 1 . . . . 26 THR HG23 . 17683 1 210 . 1 1 26 26 THR C C 13 175.375 0.400 . 1 . . . . 26 THR C . 17683 1 211 . 1 1 26 26 THR CA C 13 66.923 0.400 . 1 . . . . 26 THR CA . 17683 1 212 . 1 1 26 26 THR CB C 13 68.666 0.400 . 1 . . . . 26 THR CB . 17683 1 213 . 1 1 26 26 THR CG2 C 13 21.440 0.400 . 1 . . . . 26 THR CG2 . 17683 1 214 . 1 1 26 26 THR N N 15 117.620 0.400 . 1 . . . . 26 THR N . 17683 1 215 . 1 1 27 27 LEU H H 1 8.265 0.020 . 1 . . . . 27 LEU H . 17683 1 216 . 1 1 27 27 LEU HA H 1 3.858 0.020 . 1 . . . . 27 LEU HA . 17683 1 217 . 1 1 27 27 LEU HB2 H 1 1.652 0.020 . 2 . . . . 27 LEU HB2 . 17683 1 218 . 1 1 27 27 LEU HB3 H 1 1.103 0.020 . 2 . . . . 27 LEU HB3 . 17683 1 219 . 1 1 27 27 LEU HG H 1 1.274 0.020 . 1 . . . . 27 LEU HG . 17683 1 220 . 1 1 27 27 LEU HD11 H 1 0.206 0.020 . 2 . . . . 27 LEU HD11 . 17683 1 221 . 1 1 27 27 LEU HD12 H 1 0.206 0.020 . 2 . . . . 27 LEU HD12 . 17683 1 222 . 1 1 27 27 LEU HD13 H 1 0.206 0.020 . 2 . . . . 27 LEU HD13 . 17683 1 223 . 1 1 27 27 LEU HD21 H 1 0.493 0.020 . 2 . . . . 27 LEU HD21 . 17683 1 224 . 1 1 27 27 LEU HD22 H 1 0.493 0.020 . 2 . . . . 27 LEU HD22 . 17683 1 225 . 1 1 27 27 LEU HD23 H 1 0.493 0.020 . 2 . . . . 27 LEU HD23 . 17683 1 226 . 1 1 27 27 LEU C C 13 178.921 0.400 . 1 . . . . 27 LEU C . 17683 1 227 . 1 1 27 27 LEU CA C 13 57.839 0.400 . 1 . . . . 27 LEU CA . 17683 1 228 . 1 1 27 27 LEU CB C 13 41.284 0.400 . 1 . . . . 27 LEU CB . 17683 1 229 . 1 1 27 27 LEU CG C 13 26.199 0.400 . 1 . . . . 27 LEU CG . 17683 1 230 . 1 1 27 27 LEU CD1 C 13 23.282 0.400 . 1 . . . . 27 LEU CD1 . 17683 1 231 . 1 1 27 27 LEU CD2 C 13 25.717 0.400 . 1 . . . . 27 LEU CD2 . 17683 1 232 . 1 1 27 27 LEU N N 15 123.846 0.400 . 1 . . . . 27 LEU N . 17683 1 233 . 1 1 28 28 VAL H H 1 8.441 0.020 . 1 . . . . 28 VAL H . 17683 1 234 . 1 1 28 28 VAL HA H 1 2.762 0.020 . 1 . . . . 28 VAL HA . 17683 1 235 . 1 1 28 28 VAL HB H 1 0.922 0.020 . 1 . . . . 28 VAL HB . 17683 1 236 . 1 1 28 28 VAL HG11 H 1 -1.060 0.020 . 2 . . . . 28 VAL HG11 . 17683 1 237 . 1 1 28 28 VAL HG12 H 1 -1.060 0.020 . 2 . . . . 28 VAL HG12 . 17683 1 238 . 1 1 28 28 VAL HG13 H 1 -1.060 0.020 . 2 . . . . 28 VAL HG13 . 17683 1 239 . 1 1 28 28 VAL HG21 H 1 -0.065 0.020 . 2 . . . . 28 VAL HG21 . 17683 1 240 . 1 1 28 28 VAL HG22 H 1 -0.065 0.020 . 2 . . . . 28 VAL HG22 . 17683 1 241 . 1 1 28 28 VAL HG23 H 1 -0.065 0.020 . 2 . . . . 28 VAL HG23 . 17683 1 242 . 1 1 28 28 VAL C C 13 179.252 0.400 . 1 . . . . 28 VAL C . 17683 1 243 . 1 1 28 28 VAL CA C 13 66.611 0.400 . 1 . . . . 28 VAL CA . 17683 1 244 . 1 1 28 28 VAL CB C 13 31.114 0.400 . 1 . . . . 28 VAL CB . 17683 1 245 . 1 1 28 28 VAL CG1 C 13 20.092 0.400 . 1 . . . . 28 VAL CG1 . 17683 1 246 . 1 1 28 28 VAL CG2 C 13 21.889 0.400 . 1 . . . . 28 VAL CG2 . 17683 1 247 . 1 1 28 28 VAL N N 15 119.567 0.400 . 1 . . . . 28 VAL N . 17683 1 248 . 1 1 29 29 SER H H 1 7.297 0.020 . 1 . . . . 29 SER H . 17683 1 249 . 1 1 29 29 SER HA H 1 4.059 0.020 . 1 . . . . 29 SER HA . 17683 1 250 . 1 1 29 29 SER HB2 H 1 3.655 0.020 . 2 . . . . 29 SER HB2 . 17683 1 251 . 1 1 29 29 SER HB3 H 1 3.711 0.020 . 2 . . . . 29 SER HB3 . 17683 1 252 . 1 1 29 29 SER C C 13 172.429 0.400 . 1 . . . . 29 SER C . 17683 1 253 . 1 1 29 29 SER CA C 13 60.865 0.400 . 1 . . . . 29 SER CA . 17683 1 254 . 1 1 29 29 SER CB C 13 63.451 0.400 . 1 . . . . 29 SER CB . 17683 1 255 . 1 1 29 29 SER N N 15 112.180 0.400 . 1 . . . . 29 SER N . 17683 1 256 . 1 1 30 30 ASP H H 1 7.422 0.020 . 1 . . . . 30 ASP H . 17683 1 257 . 1 1 30 30 ASP HA H 1 4.576 0.020 . 1 . . . . 30 ASP HA . 17683 1 258 . 1 1 30 30 ASP HB2 H 1 2.799 0.020 . 2 . . . . 30 ASP HB2 . 17683 1 259 . 1 1 30 30 ASP HB3 H 1 3.054 0.020 . 2 . . . . 30 ASP HB3 . 17683 1 260 . 1 1 30 30 ASP CA C 13 52.025 0.400 . 1 . . . . 30 ASP CA . 17683 1 261 . 1 1 30 30 ASP CB C 13 41.052 0.400 . 1 . . . . 30 ASP CB . 17683 1 262 . 1 1 30 30 ASP N N 15 123.540 0.400 . 1 . . . . 30 ASP N . 17683 1 263 . 1 1 31 31 PRO HA H 1 4.645 0.020 . 1 . . . . 31 PRO HA . 17683 1 264 . 1 1 31 31 PRO HB2 H 1 2.411 0.020 . 2 . . . . 31 PRO HB2 . 17683 1 265 . 1 1 31 31 PRO HB3 H 1 2.044 0.020 . 2 . . . . 31 PRO HB3 . 17683 1 266 . 1 1 31 31 PRO HG2 H 1 2.074 0.020 . 2 . . . . 31 PRO HG2 . 17683 1 267 . 1 1 31 31 PRO HG3 H 1 2.119 0.020 . 2 . . . . 31 PRO HG3 . 17683 1 268 . 1 1 31 31 PRO HD2 H 1 4.089 0.020 . 1 . . . . 31 PRO HD2 . 17683 1 269 . 1 1 31 31 PRO HD3 H 1 4.090 0.020 . 1 . . . . 31 PRO HD3 . 17683 1 270 . 1 1 31 31 PRO C C 13 179.643 0.400 . 1 . . . . 31 PRO C . 17683 1 271 . 1 1 31 31 PRO CA C 13 63.621 0.400 . 1 . . . . 31 PRO CA . 17683 1 272 . 1 1 31 31 PRO CB C 13 31.572 0.400 . 1 . . . . 31 PRO CB . 17683 1 273 . 1 1 31 31 PRO CG C 13 27.140 0.400 . 1 . . . . 31 PRO CG . 17683 1 274 . 1 1 31 31 PRO CD C 13 50.808 0.400 . 1 . . . . 31 PRO CD . 17683 1 275 . 1 1 32 32 ASP H H 1 8.744 0.020 . 1 . . . . 32 ASP H . 17683 1 276 . 1 1 32 32 ASP HA H 1 4.555 0.020 . 1 . . . . 32 ASP HA . 17683 1 277 . 1 1 32 32 ASP HB2 H 1 2.837 0.020 . 2 . . . . 32 ASP HB2 . 17683 1 278 . 1 1 32 32 ASP HB3 H 1 2.721 0.020 . 2 . . . . 32 ASP HB3 . 17683 1 279 . 1 1 32 32 ASP C C 13 178.290 0.400 . 1 . . . . 32 ASP C . 17683 1 280 . 1 1 32 32 ASP CA C 13 56.033 0.400 . 1 . . . . 32 ASP CA . 17683 1 281 . 1 1 32 32 ASP CB C 13 40.166 0.400 . 1 . . . . 32 ASP CB . 17683 1 282 . 1 1 32 32 ASP N N 15 117.536 0.400 . 1 . . . . 32 ASP N . 17683 1 283 . 1 1 33 33 THR H H 1 7.611 0.020 . 1 . . . . 33 THR H . 17683 1 284 . 1 1 33 33 THR HA H 1 4.696 0.020 . 1 . . . . 33 THR HA . 17683 1 285 . 1 1 33 33 THR HB H 1 4.682 0.020 . 1 . . . . 33 THR HB . 17683 1 286 . 1 1 33 33 THR HG21 H 1 1.166 0.020 . 1 . . . . 33 THR HG21 . 17683 1 287 . 1 1 33 33 THR HG22 H 1 1.166 0.020 . 1 . . . . 33 THR HG22 . 17683 1 288 . 1 1 33 33 THR HG23 H 1 1.166 0.020 . 1 . . . . 33 THR HG23 . 17683 1 289 . 1 1 33 33 THR C C 13 175.735 0.400 . 1 . . . . 33 THR C . 17683 1 290 . 1 1 33 33 THR CA C 13 60.423 0.400 . 1 . . . . 33 THR CA . 17683 1 291 . 1 1 33 33 THR CB C 13 70.089 0.400 . 1 . . . . 33 THR CB . 17683 1 292 . 1 1 33 33 THR CG2 C 13 21.440 0.400 . 1 . . . . 33 THR CG2 . 17683 1 293 . 1 1 33 33 THR N N 15 106.489 0.400 . 1 . . . . 33 THR N . 17683 1 294 . 1 1 34 34 ASP H H 1 7.388 0.020 . 1 . . . . 34 ASP H . 17683 1 295 . 1 1 34 34 ASP HA H 1 4.750 0.020 . 1 . . . . 34 ASP HA . 17683 1 296 . 1 1 34 34 ASP HB2 H 1 2.886 0.020 . 2 . . . . 34 ASP HB2 . 17683 1 297 . 1 1 34 34 ASP HB3 H 1 2.737 0.020 . 2 . . . . 34 ASP HB3 . 17683 1 298 . 1 1 34 34 ASP C C 13 175.705 0.400 . 1 . . . . 34 ASP C . 17683 1 299 . 1 1 34 34 ASP CA C 13 57.087 0.400 . 1 . . . . 34 ASP CA . 17683 1 300 . 1 1 34 34 ASP CB C 13 40.366 0.400 . 1 . . . . 34 ASP CB . 17683 1 301 . 1 1 34 34 ASP N N 15 122.431 0.400 . 1 . . . . 34 ASP N . 17683 1 302 . 1 1 35 35 ALA H H 1 8.486 0.020 . 1 . . . . 35 ALA H . 17683 1 303 . 1 1 35 35 ALA HA H 1 4.129 0.020 . 1 . . . . 35 ALA HA . 17683 1 304 . 1 1 35 35 ALA HB1 H 1 1.378 0.020 . 1 . . . . 35 ALA HB1 . 17683 1 305 . 1 1 35 35 ALA HB2 H 1 1.378 0.020 . 1 . . . . 35 ALA HB2 . 17683 1 306 . 1 1 35 35 ALA HB3 H 1 1.378 0.020 . 1 . . . . 35 ALA HB3 . 17683 1 307 . 1 1 35 35 ALA C C 13 177.599 0.400 . 1 . . . . 35 ALA C . 17683 1 308 . 1 1 35 35 ALA CA C 13 54.189 0.400 . 1 . . . . 35 ALA CA . 17683 1 309 . 1 1 35 35 ALA CB C 13 18.079 0.400 . 1 . . . . 35 ALA CB . 17683 1 310 . 1 1 35 35 ALA N N 15 120.157 0.400 . 1 . . . . 35 ALA N . 17683 1 311 . 1 1 36 36 LEU H H 1 8.204 0.020 . 1 . . . . 36 LEU H . 17683 1 312 . 1 1 36 36 LEU HA H 1 5.065 0.020 . 1 . . . . 36 LEU HA . 17683 1 313 . 1 1 36 36 LEU HB2 H 1 1.921 0.020 . 2 . . . . 36 LEU HB2 . 17683 1 314 . 1 1 36 36 LEU HB3 H 1 1.828 0.020 . 2 . . . . 36 LEU HB3 . 17683 1 315 . 1 1 36 36 LEU HG H 1 1.677 0.020 . 1 . . . . 36 LEU HG . 17683 1 316 . 1 1 36 36 LEU HD11 H 1 1.115 0.020 . 2 . . . . 36 LEU HD11 . 17683 1 317 . 1 1 36 36 LEU HD12 H 1 1.115 0.020 . 2 . . . . 36 LEU HD12 . 17683 1 318 . 1 1 36 36 LEU HD13 H 1 1.115 0.020 . 2 . . . . 36 LEU HD13 . 17683 1 319 . 1 1 36 36 LEU HD21 H 1 0.970 0.020 . 2 . . . . 36 LEU HD21 . 17683 1 320 . 1 1 36 36 LEU HD22 H 1 0.970 0.020 . 2 . . . . 36 LEU HD22 . 17683 1 321 . 1 1 36 36 LEU HD23 H 1 0.970 0.020 . 2 . . . . 36 LEU HD23 . 17683 1 322 . 1 1 36 36 LEU C C 13 175.104 0.400 . 1 . . . . 36 LEU C . 17683 1 323 . 1 1 36 36 LEU CA C 13 55.632 0.400 . 1 . . . . 36 LEU CA . 17683 1 324 . 1 1 36 36 LEU CB C 13 46.180 0.400 . 1 . . . . 36 LEU CB . 17683 1 325 . 1 1 36 36 LEU CG C 13 27.110 0.400 . 1 . . . . 36 LEU CG . 17683 1 326 . 1 1 36 36 LEU CD1 C 13 24.100 0.400 . 1 . . . . 36 LEU CD1 . 17683 1 327 . 1 1 36 36 LEU CD2 C 13 26.244 0.400 . 1 . . . . 36 LEU CD2 . 17683 1 328 . 1 1 36 36 LEU N N 15 115.101 0.400 . 1 . . . . 36 LEU N . 17683 1 329 . 1 1 37 37 ILE H H 1 8.753 0.020 . 1 . . . . 37 ILE H . 17683 1 330 . 1 1 37 37 ILE HA H 1 5.700 0.020 . 1 . . . . 37 ILE HA . 17683 1 331 . 1 1 37 37 ILE HB H 1 1.936 0.020 . 1 . . . . 37 ILE HB . 17683 1 332 . 1 1 37 37 ILE HG12 H 1 0.579 0.020 . 2 . . . . 37 ILE HG12 . 17683 1 333 . 1 1 37 37 ILE HG13 H 1 1.818 0.020 . 2 . . . . 37 ILE HG13 . 17683 1 334 . 1 1 37 37 ILE HG21 H 1 0.984 0.020 . 1 . . . . 37 ILE HG21 . 17683 1 335 . 1 1 37 37 ILE HG22 H 1 0.984 0.020 . 1 . . . . 37 ILE HG22 . 17683 1 336 . 1 1 37 37 ILE HG23 H 1 0.984 0.020 . 1 . . . . 37 ILE HG23 . 17683 1 337 . 1 1 37 37 ILE HD11 H 1 0.602 0.020 . 1 . . . . 37 ILE HD11 . 17683 1 338 . 1 1 37 37 ILE HD12 H 1 0.602 0.020 . 1 . . . . 37 ILE HD12 . 17683 1 339 . 1 1 37 37 ILE HD13 H 1 0.602 0.020 . 1 . . . . 37 ILE HD13 . 17683 1 340 . 1 1 37 37 ILE C C 13 173.361 0.400 . 1 . . . . 37 ILE C . 17683 1 341 . 1 1 37 37 ILE CA C 13 59.125 0.400 . 1 . . . . 37 ILE CA . 17683 1 342 . 1 1 37 37 ILE CB C 13 38.008 0.400 . 1 . . . . 37 ILE CB . 17683 1 343 . 1 1 37 37 ILE CG1 C 13 28.225 0.400 . 1 . . . . 37 ILE CG1 . 17683 1 344 . 1 1 37 37 ILE CG2 C 13 14.135 0.400 . 1 . . . . 37 ILE CG2 . 17683 1 345 . 1 1 37 37 ILE CD1 C 13 13.894 0.400 . 1 . . . . 37 ILE CD1 . 17683 1 346 . 1 1 37 37 ILE N N 15 116.260 0.400 . 1 . . . . 37 ILE N . 17683 1 347 . 1 1 38 38 CYS H H 1 8.474 0.020 . 1 . . . . 38 CYS H . 17683 1 348 . 1 1 38 38 CYS HA H 1 5.168 0.020 . 1 . . . . 38 CYS HA . 17683 1 349 . 1 1 38 38 CYS HB2 H 1 3.089 0.020 . 2 . . . . 38 CYS HB2 . 17683 1 350 . 1 1 38 38 CYS HB3 H 1 3.243 0.020 . 2 . . . . 38 CYS HB3 . 17683 1 351 . 1 1 38 38 CYS C C 13 173.421 0.400 . 1 . . . . 38 CYS C . 17683 1 352 . 1 1 38 38 CYS CA C 13 54.740 0.400 . 1 . . . . 38 CYS CA . 17683 1 353 . 1 1 38 38 CYS CB C 13 33.069 0.400 . 1 . . . . 38 CYS CB . 17683 1 354 . 1 1 38 38 CYS N N 15 122.579 0.400 . 1 . . . . 38 CYS N . 17683 1 355 . 1 1 39 39 TRP H H 1 8.885 0.020 . 1 . . . . 39 TRP H . 17683 1 356 . 1 1 39 39 TRP HA H 1 5.049 0.020 . 1 . . . . 39 TRP HA . 17683 1 357 . 1 1 39 39 TRP HB2 H 1 3.222 0.020 . 2 . . . . 39 TRP HB2 . 17683 1 358 . 1 1 39 39 TRP HB3 H 1 3.618 0.020 . 2 . . . . 39 TRP HB3 . 17683 1 359 . 1 1 39 39 TRP HD1 H 1 7.375 0.020 . 1 . . . . 39 TRP HD1 . 17683 1 360 . 1 1 39 39 TRP HE1 H 1 9.105 0.020 . 1 . . . . 39 TRP HE1 . 17683 1 361 . 1 1 39 39 TRP HE3 H 1 7.938 0.020 . 1 . . . . 39 TRP HE3 . 17683 1 362 . 1 1 39 39 TRP HZ2 H 1 5.618 0.020 . 1 . . . . 39 TRP HZ2 . 17683 1 363 . 1 1 39 39 TRP HZ3 H 1 7.186 0.020 . 1 . . . . 39 TRP HZ3 . 17683 1 364 . 1 1 39 39 TRP HH2 H 1 5.950 0.020 . 1 . . . . 39 TRP HH2 . 17683 1 365 . 1 1 39 39 TRP C C 13 178.591 0.400 . 1 . . . . 39 TRP C . 17683 1 366 . 1 1 39 39 TRP CA C 13 57.584 0.400 . 1 . . . . 39 TRP CA . 17683 1 367 . 1 1 39 39 TRP CB C 13 31.321 0.400 . 1 . . . . 39 TRP CB . 17683 1 368 . 1 1 39 39 TRP CD1 C 13 126.248 0.400 . 1 . . . . 39 TRP CD1 . 17683 1 369 . 1 1 39 39 TRP CE3 C 13 120.637 0.400 . 1 . . . . 39 TRP CE3 . 17683 1 370 . 1 1 39 39 TRP CZ2 C 13 111.793 0.400 . 1 . . . . 39 TRP CZ2 . 17683 1 371 . 1 1 39 39 TRP CZ3 C 13 121.967 0.400 . 1 . . . . 39 TRP CZ3 . 17683 1 372 . 1 1 39 39 TRP CH2 C 13 127.182 0.400 . 1 . . . . 39 TRP CH2 . 17683 1 373 . 1 1 39 39 TRP N N 15 122.577 0.400 . 1 . . . . 39 TRP N . 17683 1 374 . 1 1 39 39 TRP NE1 N 15 127.438 0.400 . 1 . . . . 39 TRP NE1 . 17683 1 375 . 1 1 40 40 SER H H 1 9.322 0.020 . 1 . . . . 40 SER H . 17683 1 376 . 1 1 40 40 SER HA H 1 4.832 0.020 . 1 . . . . 40 SER HA . 17683 1 377 . 1 1 40 40 SER HB2 H 1 4.163 0.020 . 2 . . . . 40 SER HB2 . 17683 1 378 . 1 1 40 40 SER HB3 H 1 4.427 0.020 . 2 . . . . 40 SER HB3 . 17683 1 379 . 1 1 40 40 SER CA C 13 57.574 0.400 . 1 . . . . 40 SER CA . 17683 1 380 . 1 1 40 40 SER CB C 13 62.096 0.400 . 1 . . . . 40 SER CB . 17683 1 381 . 1 1 40 40 SER N N 15 118.682 0.400 . 1 . . . . 40 SER N . 17683 1 382 . 1 1 41 41 PRO HA H 1 4.426 0.020 . 1 . . . . 41 PRO HA . 17683 1 383 . 1 1 41 41 PRO HB2 H 1 2.470 0.020 . 2 . . . . 41 PRO HB2 . 17683 1 384 . 1 1 41 41 PRO HB3 H 1 2.019 0.020 . 2 . . . . 41 PRO HB3 . 17683 1 385 . 1 1 41 41 PRO HG2 H 1 2.131 0.020 . 2 . . . . 41 PRO HG2 . 17683 1 386 . 1 1 41 41 PRO HG3 H 1 2.247 0.020 . 2 . . . . 41 PRO HG3 . 17683 1 387 . 1 1 41 41 PRO HD2 H 1 4.049 0.020 . 2 . . . . 41 PRO HD2 . 17683 1 388 . 1 1 41 41 PRO HD3 H 1 4.013 0.020 . 2 . . . . 41 PRO HD3 . 17683 1 389 . 1 1 41 41 PRO C C 13 178.951 0.400 . 1 . . . . 41 PRO C . 17683 1 390 . 1 1 41 41 PRO CA C 13 66.217 0.400 . 1 . . . . 41 PRO CA . 17683 1 391 . 1 1 41 41 PRO CB C 13 31.448 0.400 . 1 . . . . 41 PRO CB . 17683 1 392 . 1 1 41 41 PRO CG C 13 27.838 0.400 . 1 . . . . 41 PRO CG . 17683 1 393 . 1 1 41 41 PRO CD C 13 50.280 0.400 . 1 . . . . 41 PRO CD . 17683 1 394 . 1 1 42 42 SER H H 1 8.351 0.020 . 1 . . . . 42 SER H . 17683 1 395 . 1 1 42 42 SER HA H 1 4.391 0.020 . 1 . . . . 42 SER HA . 17683 1 396 . 1 1 42 42 SER HB2 H 1 3.997 0.020 . 2 . . . . 42 SER HB2 . 17683 1 397 . 1 1 42 42 SER HB3 H 1 4.000 0.020 . 2 . . . . 42 SER HB3 . 17683 1 398 . 1 1 42 42 SER C C 13 175.766 0.400 . 1 . . . . 42 SER C . 17683 1 399 . 1 1 42 42 SER CA C 13 59.213 0.400 . 1 . . . . 42 SER CA . 17683 1 400 . 1 1 42 42 SER CB C 13 63.510 0.400 . 1 . . . . 42 SER CB . 17683 1 401 . 1 1 42 42 SER N N 15 110.051 0.400 . 1 . . . . 42 SER N . 17683 1 402 . 1 1 43 43 GLY H H 1 8.472 0.020 . 1 . . . . 43 GLY H . 17683 1 403 . 1 1 43 43 GLY HA2 H 1 3.467 0.020 . 2 . . . . 43 GLY HA2 . 17683 1 404 . 1 1 43 43 GLY HA3 H 1 3.900 0.020 . 2 . . . . 43 GLY HA3 . 17683 1 405 . 1 1 43 43 GLY C C 13 172.129 0.400 . 1 . . . . 43 GLY C . 17683 1 406 . 1 1 43 43 GLY CA C 13 45.827 0.400 . 1 . . . . 43 GLY CA . 17683 1 407 . 1 1 43 43 GLY N N 15 110.191 0.400 . 1 . . . . 43 GLY N . 17683 1 408 . 1 1 44 44 ASN H H 1 7.849 0.020 . 1 . . . . 44 ASN H . 17683 1 409 . 1 1 44 44 ASN HA H 1 5.295 0.020 . 1 . . . . 44 ASN HA . 17683 1 410 . 1 1 44 44 ASN HB2 H 1 3.058 0.020 . 2 . . . . 44 ASN HB2 . 17683 1 411 . 1 1 44 44 ASN HB3 H 1 2.825 0.020 . 2 . . . . 44 ASN HB3 . 17683 1 412 . 1 1 44 44 ASN HD21 H 1 7.542 0.020 . 2 . . . . 44 ASN HD21 . 17683 1 413 . 1 1 44 44 ASN HD22 H 1 6.912 0.020 . 2 . . . . 44 ASN HD22 . 17683 1 414 . 1 1 44 44 ASN C C 13 175.405 0.400 . 1 . . . . 44 ASN C . 17683 1 415 . 1 1 44 44 ASN CA C 13 52.332 0.400 . 1 . . . . 44 ASN CA . 17683 1 416 . 1 1 44 44 ASN CB C 13 38.597 0.400 . 1 . . . . 44 ASN CB . 17683 1 417 . 1 1 44 44 ASN N N 15 113.354 0.400 . 1 . . . . 44 ASN N . 17683 1 418 . 1 1 44 44 ASN ND2 N 15 111.488 0.400 . 1 . . . . 44 ASN ND2 . 17683 1 419 . 1 1 45 45 SER H H 1 8.595 0.020 . 1 . . . . 45 SER H . 17683 1 420 . 1 1 45 45 SER HA H 1 5.637 0.020 . 1 . . . . 45 SER HA . 17683 1 421 . 1 1 45 45 SER HB2 H 1 4.163 0.020 . 2 . . . . 45 SER HB2 . 17683 1 422 . 1 1 45 45 SER HB3 H 1 4.075 0.020 . 2 . . . . 45 SER HB3 . 17683 1 423 . 1 1 45 45 SER C C 13 171.949 0.400 . 1 . . . . 45 SER C . 17683 1 424 . 1 1 45 45 SER CA C 13 57.060 0.400 . 1 . . . . 45 SER CA . 17683 1 425 . 1 1 45 45 SER CB C 13 64.228 0.400 . 1 . . . . 45 SER CB . 17683 1 426 . 1 1 45 45 SER N N 15 114.334 0.400 . 1 . . . . 45 SER N . 17683 1 427 . 1 1 46 46 PHE H H 1 9.267 0.020 . 1 . . . . 46 PHE H . 17683 1 428 . 1 1 46 46 PHE HA H 1 5.854 0.020 . 1 . . . . 46 PHE HA . 17683 1 429 . 1 1 46 46 PHE HB2 H 1 2.497 0.020 . 2 . . . . 46 PHE HB2 . 17683 1 430 . 1 1 46 46 PHE HB3 H 1 2.862 0.020 . 2 . . . . 46 PHE HB3 . 17683 1 431 . 1 1 46 46 PHE HD1 H 1 6.958 0.020 . 1 . . . . 46 PHE HD1 . 17683 1 432 . 1 1 46 46 PHE HD2 H 1 6.958 0.020 . 1 . . . . 46 PHE HD2 . 17683 1 433 . 1 1 46 46 PHE HE1 H 1 6.646 0.020 . 1 . . . . 46 PHE HE1 . 17683 1 434 . 1 1 46 46 PHE HE2 H 1 6.646 0.020 . 1 . . . . 46 PHE HE2 . 17683 1 435 . 1 1 46 46 PHE HZ H 1 6.480 0.020 . 1 . . . . 46 PHE HZ . 17683 1 436 . 1 1 46 46 PHE C C 13 171.558 0.400 . 1 . . . . 46 PHE C . 17683 1 437 . 1 1 46 46 PHE CA C 13 55.656 0.400 . 1 . . . . 46 PHE CA . 17683 1 438 . 1 1 46 46 PHE CB C 13 43.457 0.400 . 1 . . . . 46 PHE CB . 17683 1 439 . 1 1 46 46 PHE CD1 C 13 132.307 0.400 . 1 . . . . 46 PHE CD1 . 17683 1 440 . 1 1 46 46 PHE CD2 C 13 132.507 0.400 . 1 . . . . 46 PHE CD2 . 17683 1 441 . 1 1 46 46 PHE CE1 C 13 130.378 0.400 . 1 . . . . 46 PHE CE1 . 17683 1 442 . 1 1 46 46 PHE CE2 C 13 130.600 0.400 . 1 . . . . 46 PHE CE2 . 17683 1 443 . 1 1 46 46 PHE CZ C 13 127.971 0.400 . 1 . . . . 46 PHE CZ . 17683 1 444 . 1 1 46 46 PHE N N 15 115.412 0.400 . 1 . . . . 46 PHE N . 17683 1 445 . 1 1 47 47 HIS H H 1 9.287 0.020 . 1 . . . . 47 HIS H . 17683 1 446 . 1 1 47 47 HIS HA H 1 5.050 0.020 . 1 . . . . 47 HIS HA . 17683 1 447 . 1 1 47 47 HIS HB2 H 1 1.924 0.020 . 2 . . . . 47 HIS HB2 . 17683 1 448 . 1 1 47 47 HIS HB3 H 1 2.489 0.020 . 2 . . . . 47 HIS HB3 . 17683 1 449 . 1 1 47 47 HIS HD2 H 1 6.658 0.020 . 1 . . . . 47 HIS HD2 . 17683 1 450 . 1 1 47 47 HIS HE1 H 1 8.040 0.020 . 1 . . . . 47 HIS HE1 . 17683 1 451 . 1 1 47 47 HIS C C 13 173.511 0.400 . 1 . . . . 47 HIS C . 17683 1 452 . 1 1 47 47 HIS CA C 13 54.118 0.400 . 1 . . . . 47 HIS CA . 17683 1 453 . 1 1 47 47 HIS CB C 13 32.516 0.400 . 1 . . . . 47 HIS CB . 17683 1 454 . 1 1 47 47 HIS CD2 C 13 119.840 0.400 . 1 . . . . 47 HIS CD2 . 17683 1 455 . 1 1 47 47 HIS CE1 C 13 136.445 0.400 . 1 . . . . 47 HIS CE1 . 17683 1 456 . 1 1 47 47 HIS N N 15 118.235 0.400 . 1 . . . . 47 HIS N . 17683 1 457 . 1 1 48 48 VAL H H 1 8.744 0.020 . 1 . . . . 48 VAL H . 17683 1 458 . 1 1 48 48 VAL HA H 1 4.563 0.020 . 1 . . . . 48 VAL HA . 17683 1 459 . 1 1 48 48 VAL HB H 1 1.619 0.020 . 1 . . . . 48 VAL HB . 17683 1 460 . 1 1 48 48 VAL HG11 H 1 0.153 0.020 . 2 . . . . 48 VAL HG11 . 17683 1 461 . 1 1 48 48 VAL HG12 H 1 0.153 0.020 . 2 . . . . 48 VAL HG12 . 17683 1 462 . 1 1 48 48 VAL HG13 H 1 0.153 0.020 . 2 . . . . 48 VAL HG13 . 17683 1 463 . 1 1 48 48 VAL HG21 H 1 0.587 0.020 . 2 . . . . 48 VAL HG21 . 17683 1 464 . 1 1 48 48 VAL HG22 H 1 0.587 0.020 . 2 . . . . 48 VAL HG22 . 17683 1 465 . 1 1 48 48 VAL HG23 H 1 0.587 0.020 . 2 . . . . 48 VAL HG23 . 17683 1 466 . 1 1 48 48 VAL C C 13 175.555 0.400 . 1 . . . . 48 VAL C . 17683 1 467 . 1 1 48 48 VAL CA C 13 60.926 0.400 . 1 . . . . 48 VAL CA . 17683 1 468 . 1 1 48 48 VAL CB C 13 33.518 0.400 . 1 . . . . 48 VAL CB . 17683 1 469 . 1 1 48 48 VAL CG1 C 13 20.134 0.400 . 1 . . . . 48 VAL CG1 . 17683 1 470 . 1 1 48 48 VAL CG2 C 13 20.867 0.400 . 1 . . . . 48 VAL CG2 . 17683 1 471 . 1 1 48 48 VAL N N 15 119.188 0.400 . 1 . . . . 48 VAL N . 17683 1 472 . 1 1 49 49 PHE H H 1 9.128 0.020 . 1 . . . . 49 PHE H . 17683 1 473 . 1 1 49 49 PHE HA H 1 5.414 0.020 . 1 . . . . 49 PHE HA . 17683 1 474 . 1 1 49 49 PHE HB2 H 1 3.161 0.020 . 2 . . . . 49 PHE HB2 . 17683 1 475 . 1 1 49 49 PHE HB3 H 1 3.027 0.020 . 2 . . . . 49 PHE HB3 . 17683 1 476 . 1 1 49 49 PHE HD1 H 1 7.105 0.020 . 1 . . . . 49 PHE HD1 . 17683 1 477 . 1 1 49 49 PHE HD2 H 1 7.105 0.020 . 1 . . . . 49 PHE HD2 . 17683 1 478 . 1 1 49 49 PHE HE1 H 1 7.135 0.020 . 1 . . . . 49 PHE HE1 . 17683 1 479 . 1 1 49 49 PHE HE2 H 1 7.135 0.020 . 1 . . . . 49 PHE HE2 . 17683 1 480 . 1 1 49 49 PHE HZ H 1 6.714 0.020 . 1 . . . . 49 PHE HZ . 17683 1 481 . 1 1 49 49 PHE C C 13 174.203 0.400 . 1 . . . . 49 PHE C . 17683 1 482 . 1 1 49 49 PHE CA C 13 55.908 0.400 . 1 . . . . 49 PHE CA . 17683 1 483 . 1 1 49 49 PHE CB C 13 41.065 0.400 . 1 . . . . 49 PHE CB . 17683 1 484 . 1 1 49 49 PHE CD1 C 13 131.283 0.400 . 1 . . . . 49 PHE CD1 . 17683 1 485 . 1 1 49 49 PHE CD2 C 13 131.496 0.400 . 1 . . . . 49 PHE CD2 . 17683 1 486 . 1 1 49 49 PHE CE1 C 13 131.029 0.400 . 1 . . . . 49 PHE CE1 . 17683 1 487 . 1 1 49 49 PHE CE2 C 13 131.074 0.400 . 1 . . . . 49 PHE CE2 . 17683 1 488 . 1 1 49 49 PHE CZ C 13 128.328 0.400 . 1 . . . . 49 PHE CZ . 17683 1 489 . 1 1 49 49 PHE N N 15 129.318 0.400 . 1 . . . . 49 PHE N . 17683 1 490 . 1 1 50 50 ASP H H 1 7.884 0.020 . 1 . . . . 50 ASP H . 17683 1 491 . 1 1 50 50 ASP HA H 1 4.522 0.020 . 1 . . . . 50 ASP HA . 17683 1 492 . 1 1 50 50 ASP HB2 H 1 2.507 0.020 . 2 . . . . 50 ASP HB2 . 17683 1 493 . 1 1 50 50 ASP HB3 H 1 3.385 0.020 . 2 . . . . 50 ASP HB3 . 17683 1 494 . 1 1 50 50 ASP C C 13 176.246 0.400 . 1 . . . . 50 ASP C . 17683 1 495 . 1 1 50 50 ASP CA C 13 53.832 0.400 . 1 . . . . 50 ASP CA . 17683 1 496 . 1 1 50 50 ASP CB C 13 40.199 0.400 . 1 . . . . 50 ASP CB . 17683 1 497 . 1 1 50 50 ASP N N 15 114.807 0.400 . 1 . . . . 50 ASP N . 17683 1 498 . 1 1 51 51 GLN H H 1 9.425 0.020 . 1 . . . . 51 GLN H . 17683 1 499 . 1 1 51 51 GLN HA H 1 3.997 0.020 . 1 . . . . 51 GLN HA . 17683 1 500 . 1 1 51 51 GLN HB2 H 1 2.280 0.020 . 1 . . . . 51 GLN HB2 . 17683 1 501 . 1 1 51 51 GLN HB3 H 1 2.280 0.020 . 1 . . . . 51 GLN HB3 . 17683 1 502 . 1 1 51 51 GLN HG2 H 1 2.465 0.020 . 2 . . . . 51 GLN HG2 . 17683 1 503 . 1 1 51 51 GLN HG3 H 1 2.553 0.020 . 2 . . . . 51 GLN HG3 . 17683 1 504 . 1 1 51 51 GLN HE21 H 1 7.575 0.020 . 2 . . . . 51 GLN HE21 . 17683 1 505 . 1 1 51 51 GLN HE22 H 1 6.773 0.020 . 2 . . . . 51 GLN HE22 . 17683 1 506 . 1 1 51 51 GLN C C 13 177.929 0.400 . 1 . . . . 51 GLN C . 17683 1 507 . 1 1 51 51 GLN CA C 13 59.924 0.400 . 1 . . . . 51 GLN CA . 17683 1 508 . 1 1 51 51 GLN CB C 13 28.666 0.400 . 1 . . . . 51 GLN CB . 17683 1 509 . 1 1 51 51 GLN CG C 13 34.141 0.400 . 1 . . . . 51 GLN CG . 17683 1 510 . 1 1 51 51 GLN N N 15 121.212 0.400 . 1 . . . . 51 GLN N . 17683 1 511 . 1 1 51 51 GLN NE2 N 15 110.752 0.400 . 1 . . . . 51 GLN NE2 . 17683 1 512 . 1 1 52 52 GLY H H 1 9.188 0.020 . 1 . . . . 52 GLY H . 17683 1 513 . 1 1 52 52 GLY HA2 H 1 3.962 0.020 . 2 . . . . 52 GLY HA2 . 17683 1 514 . 1 1 52 52 GLY HA3 H 1 4.018 0.020 . 2 . . . . 52 GLY HA3 . 17683 1 515 . 1 1 52 52 GLY C C 13 176.307 0.400 . 1 . . . . 52 GLY C . 17683 1 516 . 1 1 52 52 GLY CA C 13 46.879 0.400 . 1 . . . . 52 GLY CA . 17683 1 517 . 1 1 52 52 GLY N N 15 108.889 0.400 . 1 . . . . 52 GLY N . 17683 1 518 . 1 1 53 53 GLN H H 1 7.959 0.020 . 1 . . . . 53 GLN H . 17683 1 519 . 1 1 53 53 GLN HA H 1 4.238 0.020 . 1 . . . . 53 GLN HA . 17683 1 520 . 1 1 53 53 GLN HB2 H 1 2.168 0.020 . 1 . . . . 53 GLN HB2 . 17683 1 521 . 1 1 53 53 GLN HB3 H 1 2.168 0.020 . 1 . . . . 53 GLN HB3 . 17683 1 522 . 1 1 53 53 GLN HG2 H 1 2.492 0.020 . 2 . . . . 53 GLN HG2 . 17683 1 523 . 1 1 53 53 GLN HG3 H 1 2.446 0.020 . 2 . . . . 53 GLN HG3 . 17683 1 524 . 1 1 53 53 GLN HE21 H 1 7.928 0.020 . 2 . . . . 53 GLN HE21 . 17683 1 525 . 1 1 53 53 GLN HE22 H 1 6.862 0.020 . 2 . . . . 53 GLN HE22 . 17683 1 526 . 1 1 53 53 GLN C C 13 178.320 0.400 . 1 . . . . 53 GLN C . 17683 1 527 . 1 1 53 53 GLN CA C 13 58.013 0.400 . 1 . . . . 53 GLN CA . 17683 1 528 . 1 1 53 53 GLN CB C 13 28.361 0.400 . 1 . . . . 53 GLN CB . 17683 1 529 . 1 1 53 53 GLN CG C 13 33.515 0.400 . 1 . . . . 53 GLN CG . 17683 1 530 . 1 1 53 53 GLN N N 15 123.993 0.400 . 1 . . . . 53 GLN N . 17683 1 531 . 1 1 53 53 GLN NE2 N 15 111.869 0.400 . 1 . . . . 53 GLN NE2 . 17683 1 532 . 1 1 54 54 PHE H H 1 9.209 0.020 . 1 . . . . 54 PHE H . 17683 1 533 . 1 1 54 54 PHE HA H 1 4.072 0.020 . 1 . . . . 54 PHE HA . 17683 1 534 . 1 1 54 54 PHE HB2 H 1 3.336 0.020 . 2 . . . . 54 PHE HB2 . 17683 1 535 . 1 1 54 54 PHE HB3 H 1 3.204 0.020 . 2 . . . . 54 PHE HB3 . 17683 1 536 . 1 1 54 54 PHE HD1 H 1 7.071 0.020 . 1 . . . . 54 PHE HD1 . 17683 1 537 . 1 1 54 54 PHE HD2 H 1 7.071 0.020 . 1 . . . . 54 PHE HD2 . 17683 1 538 . 1 1 54 54 PHE HE1 H 1 6.663 0.020 . 1 . . . . 54 PHE HE1 . 17683 1 539 . 1 1 54 54 PHE HE2 H 1 6.663 0.020 . 1 . . . . 54 PHE HE2 . 17683 1 540 . 1 1 54 54 PHE HZ H 1 6.255 0.020 . 1 . . . . 54 PHE HZ . 17683 1 541 . 1 1 54 54 PHE C C 13 177.599 0.400 . 1 . . . . 54 PHE C . 17683 1 542 . 1 1 54 54 PHE CA C 13 61.965 0.400 . 1 . . . . 54 PHE CA . 17683 1 543 . 1 1 54 54 PHE CB C 13 39.524 0.400 . 1 . . . . 54 PHE CB . 17683 1 544 . 1 1 54 54 PHE CD1 C 13 131.366 0.400 . 1 . . . . 54 PHE CD1 . 17683 1 545 . 1 1 54 54 PHE CD2 C 13 131.584 0.400 . 1 . . . . 54 PHE CD2 . 17683 1 546 . 1 1 54 54 PHE CE1 C 13 130.518 0.400 . 1 . . . . 54 PHE CE1 . 17683 1 547 . 1 1 54 54 PHE CE2 C 13 130.600 0.400 . 1 . . . . 54 PHE CE2 . 17683 1 548 . 1 1 54 54 PHE CZ C 13 128.600 0.400 . 1 . . . . 54 PHE CZ . 17683 1 549 . 1 1 54 54 PHE N N 15 121.568 0.400 . 1 . . . . 54 PHE N . 17683 1 550 . 1 1 55 55 ALA H H 1 8.849 0.020 . 1 . . . . 55 ALA H . 17683 1 551 . 1 1 55 55 ALA HA H 1 3.756 0.020 . 1 . . . . 55 ALA HA . 17683 1 552 . 1 1 55 55 ALA HB1 H 1 1.572 0.020 . 1 . . . . 55 ALA HB1 . 17683 1 553 . 1 1 55 55 ALA HB2 H 1 1.572 0.020 . 1 . . . . 55 ALA HB2 . 17683 1 554 . 1 1 55 55 ALA HB3 H 1 1.572 0.020 . 1 . . . . 55 ALA HB3 . 17683 1 555 . 1 1 55 55 ALA C C 13 176.216 0.400 . 1 . . . . 55 ALA C . 17683 1 556 . 1 1 55 55 ALA CA C 13 54.398 0.400 . 1 . . . . 55 ALA CA . 17683 1 557 . 1 1 55 55 ALA CB C 13 18.489 0.400 . 1 . . . . 55 ALA CB . 17683 1 558 . 1 1 55 55 ALA N N 15 121.199 0.400 . 1 . . . . 55 ALA N . 17683 1 559 . 1 1 56 56 LYS H H 1 7.161 0.020 . 1 . . . . 56 LYS H . 17683 1 560 . 1 1 56 56 LYS HA H 1 4.217 0.020 . 1 . . . . 56 LYS HA . 17683 1 561 . 1 1 56 56 LYS HB2 H 1 1.964 0.020 . 2 . . . . 56 LYS HB2 . 17683 1 562 . 1 1 56 56 LYS HB3 H 1 1.876 0.020 . 2 . . . . 56 LYS HB3 . 17683 1 563 . 1 1 56 56 LYS HG2 H 1 1.587 0.020 . 2 . . . . 56 LYS HG2 . 17683 1 564 . 1 1 56 56 LYS HG3 H 1 1.474 0.020 . 2 . . . . 56 LYS HG3 . 17683 1 565 . 1 1 56 56 LYS HD2 H 1 1.719 0.020 . 1 . . . . 56 LYS HD2 . 17683 1 566 . 1 1 56 56 LYS HD3 H 1 1.719 0.020 . 1 . . . . 56 LYS HD3 . 17683 1 567 . 1 1 56 56 LYS HE2 H 1 3.009 0.020 . 1 . . . . 56 LYS HE2 . 17683 1 568 . 1 1 56 56 LYS HE3 H 1 3.009 0.020 . 1 . . . . 56 LYS HE3 . 17683 1 569 . 1 1 56 56 LYS C C 13 177.809 0.400 . 1 . . . . 56 LYS C . 17683 1 570 . 1 1 56 56 LYS CA C 13 57.898 0.400 . 1 . . . . 56 LYS CA . 17683 1 571 . 1 1 56 56 LYS CB C 13 34.056 0.400 . 1 . . . . 56 LYS CB . 17683 1 572 . 1 1 56 56 LYS CG C 13 24.910 0.400 . 1 . . . . 56 LYS CG . 17683 1 573 . 1 1 56 56 LYS CD C 13 29.095 0.400 . 1 . . . . 56 LYS CD . 17683 1 574 . 1 1 56 56 LYS CE C 13 41.780 0.400 . 1 . . . . 56 LYS CE . 17683 1 575 . 1 1 56 56 LYS N N 15 112.691 0.400 . 1 . . . . 56 LYS N . 17683 1 576 . 1 1 57 57 GLU H H 1 8.362 0.020 . 1 . . . . 57 GLU H . 17683 1 577 . 1 1 57 57 GLU HA H 1 4.455 0.020 . 1 . . . . 57 GLU HA . 17683 1 578 . 1 1 57 57 GLU HB2 H 1 1.935 0.020 . 2 . . . . 57 GLU HB2 . 17683 1 579 . 1 1 57 57 GLU HB3 H 1 2.060 0.020 . 2 . . . . 57 GLU HB3 . 17683 1 580 . 1 1 57 57 GLU HG2 H 1 2.333 0.020 . 2 . . . . 57 GLU HG2 . 17683 1 581 . 1 1 57 57 GLU HG3 H 1 2.171 0.020 . 2 . . . . 57 GLU HG3 . 17683 1 582 . 1 1 57 57 GLU C C 13 177.208 0.400 . 1 . . . . 57 GLU C . 17683 1 583 . 1 1 57 57 GLU CA C 13 57.268 0.400 . 1 . . . . 57 GLU CA . 17683 1 584 . 1 1 57 57 GLU CB C 13 32.008 0.400 . 1 . . . . 57 GLU CB . 17683 1 585 . 1 1 57 57 GLU CG C 13 35.753 0.400 . 1 . . . . 57 GLU CG . 17683 1 586 . 1 1 57 57 GLU N N 15 113.775 0.400 . 1 . . . . 57 GLU N . 17683 1 587 . 1 1 58 58 VAL H H 1 7.846 0.020 . 1 . . . . 58 VAL H . 17683 1 588 . 1 1 58 58 VAL HA H 1 4.037 0.020 . 1 . . . . 58 VAL HA . 17683 1 589 . 1 1 58 58 VAL HB H 1 1.598 0.020 . 1 . . . . 58 VAL HB . 17683 1 590 . 1 1 58 58 VAL HG11 H 1 0.688 0.020 . 2 . . . . 58 VAL HG11 . 17683 1 591 . 1 1 58 58 VAL HG12 H 1 0.688 0.020 . 2 . . . . 58 VAL HG12 . 17683 1 592 . 1 1 58 58 VAL HG13 H 1 0.688 0.020 . 2 . . . . 58 VAL HG13 . 17683 1 593 . 1 1 58 58 VAL HG21 H 1 1.001 0.020 . 2 . . . . 58 VAL HG21 . 17683 1 594 . 1 1 58 58 VAL HG22 H 1 1.001 0.020 . 2 . . . . 58 VAL HG22 . 17683 1 595 . 1 1 58 58 VAL HG23 H 1 1.001 0.020 . 2 . . . . 58 VAL HG23 . 17683 1 596 . 1 1 58 58 VAL C C 13 176.667 0.400 . 1 . . . . 58 VAL C . 17683 1 597 . 1 1 58 58 VAL CA C 13 64.712 0.400 . 1 . . . . 58 VAL CA . 17683 1 598 . 1 1 58 58 VAL CB C 13 31.597 0.400 . 1 . . . . 58 VAL CB . 17683 1 599 . 1 1 58 58 VAL CG1 C 13 23.496 0.400 . 1 . . . . 58 VAL CG1 . 17683 1 600 . 1 1 58 58 VAL CG2 C 13 22.955 0.400 . 1 . . . . 58 VAL CG2 . 17683 1 601 . 1 1 58 58 VAL N N 15 119.325 0.400 . 1 . . . . 58 VAL N . 17683 1 602 . 1 1 59 59 LEU H H 1 7.112 0.020 . 1 . . . . 59 LEU H . 17683 1 603 . 1 1 59 59 LEU HA H 1 3.895 0.020 . 1 . . . . 59 LEU HA . 17683 1 604 . 1 1 59 59 LEU HB2 H 1 1.845 0.020 . 2 . . . . 59 LEU HB2 . 17683 1 605 . 1 1 59 59 LEU HB3 H 1 1.222 0.020 . 2 . . . . 59 LEU HB3 . 17683 1 606 . 1 1 59 59 LEU HG H 1 0.829 0.020 . 1 . . . . 59 LEU HG . 17683 1 607 . 1 1 59 59 LEU HD11 H 1 0.615 0.020 . 2 . . . . 59 LEU HD11 . 17683 1 608 . 1 1 59 59 LEU HD12 H 1 0.615 0.020 . 2 . . . . 59 LEU HD12 . 17683 1 609 . 1 1 59 59 LEU HD13 H 1 0.615 0.020 . 2 . . . . 59 LEU HD13 . 17683 1 610 . 1 1 59 59 LEU HD21 H 1 0.179 0.020 . 2 . . . . 59 LEU HD21 . 17683 1 611 . 1 1 59 59 LEU HD22 H 1 0.179 0.020 . 2 . . . . 59 LEU HD22 . 17683 1 612 . 1 1 59 59 LEU HD23 H 1 0.179 0.020 . 2 . . . . 59 LEU HD23 . 17683 1 613 . 1 1 59 59 LEU CA C 13 60.000 0.400 . 1 . . . . 59 LEU CA . 17683 1 614 . 1 1 59 59 LEU CB C 13 38.352 0.400 . 1 . . . . 59 LEU CB . 17683 1 615 . 1 1 59 59 LEU CG C 13 25.587 0.400 . 1 . . . . 59 LEU CG . 17683 1 616 . 1 1 59 59 LEU CD1 C 13 24.730 0.400 . 1 . . . . 59 LEU CD1 . 17683 1 617 . 1 1 59 59 LEU CD2 C 13 24.100 0.400 . 1 . . . . 59 LEU CD2 . 17683 1 618 . 1 1 59 59 LEU N N 15 117.593 0.400 . 1 . . . . 59 LEU N . 17683 1 619 . 1 1 60 60 PRO HA H 1 4.093 0.020 . 1 . . . . 60 PRO HA . 17683 1 620 . 1 1 60 60 PRO HB2 H 1 2.107 0.020 . 2 . . . . 60 PRO HB2 . 17683 1 621 . 1 1 60 60 PRO HB3 H 1 1.623 0.020 . 2 . . . . 60 PRO HB3 . 17683 1 622 . 1 1 60 60 PRO HG2 H 1 1.908 0.020 . 2 . . . . 60 PRO HG2 . 17683 1 623 . 1 1 60 60 PRO HG3 H 1 1.741 0.020 . 2 . . . . 60 PRO HG3 . 17683 1 624 . 1 1 60 60 PRO HD2 H 1 3.822 0.020 . 2 . . . . 60 PRO HD2 . 17683 1 625 . 1 1 60 60 PRO HD3 H 1 2.865 0.020 . 2 . . . . 60 PRO HD3 . 17683 1 626 . 1 1 60 60 PRO C C 13 178.771 0.400 . 1 . . . . 60 PRO C . 17683 1 627 . 1 1 60 60 PRO CA C 13 65.984 0.400 . 1 . . . . 60 PRO CA . 17683 1 628 . 1 1 60 60 PRO CB C 13 30.984 0.400 . 1 . . . . 60 PRO CB . 17683 1 629 . 1 1 60 60 PRO CG C 13 28.276 0.400 . 1 . . . . 60 PRO CG . 17683 1 630 . 1 1 60 60 PRO CD C 13 50.593 0.400 . 1 . . . . 60 PRO CD . 17683 1 631 . 1 1 61 61 LYS H H 1 6.726 0.020 . 1 . . . . 61 LYS H . 17683 1 632 . 1 1 61 61 LYS HA H 1 3.862 0.020 . 1 . . . . 61 LYS HA . 17683 1 633 . 1 1 61 61 LYS HB2 H 1 1.756 0.020 . 2 . . . . 61 LYS HB2 . 17683 1 634 . 1 1 61 61 LYS HB3 H 1 1.572 0.020 . 2 . . . . 61 LYS HB3 . 17683 1 635 . 1 1 61 61 LYS HG2 H 1 1.193 0.020 . 2 . . . . 61 LYS HG2 . 17683 1 636 . 1 1 61 61 LYS HG3 H 1 0.705 0.020 . 2 . . . . 61 LYS HG3 . 17683 1 637 . 1 1 61 61 LYS HD2 H 1 1.572 0.020 . 2 . . . . 61 LYS HD2 . 17683 1 638 . 1 1 61 61 LYS HD3 H 1 1.518 0.020 . 2 . . . . 61 LYS HD3 . 17683 1 639 . 1 1 61 61 LYS HE2 H 1 2.824 0.020 . 1 . . . . 61 LYS HE2 . 17683 1 640 . 1 1 61 61 LYS HE3 H 1 2.824 0.020 . 1 . . . . 61 LYS HE3 . 17683 1 641 . 1 1 61 61 LYS C C 13 177.058 0.400 . 1 . . . . 61 LYS C . 17683 1 642 . 1 1 61 61 LYS CA C 13 58.328 0.400 . 1 . . . . 61 LYS CA . 17683 1 643 . 1 1 61 61 LYS CB C 13 32.625 0.400 . 1 . . . . 61 LYS CB . 17683 1 644 . 1 1 61 61 LYS CG C 13 24.910 0.400 . 1 . . . . 61 LYS CG . 17683 1 645 . 1 1 61 61 LYS CD C 13 29.103 0.400 . 1 . . . . 61 LYS CD . 17683 1 646 . 1 1 61 61 LYS CE C 13 41.780 0.400 . 1 . . . . 61 LYS CE . 17683 1 647 . 1 1 61 61 LYS N N 15 115.571 0.400 . 1 . . . . 61 LYS N . 17683 1 648 . 1 1 62 62 TYR H H 1 7.452 0.020 . 1 . . . . 62 TYR H . 17683 1 649 . 1 1 62 62 TYR HA H 1 4.082 0.020 . 1 . . . . 62 TYR HA . 17683 1 650 . 1 1 62 62 TYR HB2 H 1 1.811 0.020 . 2 . . . . 62 TYR HB2 . 17683 1 651 . 1 1 62 62 TYR HB3 H 1 2.052 0.020 . 2 . . . . 62 TYR HB3 . 17683 1 652 . 1 1 62 62 TYR HD1 H 1 7.031 0.020 . 1 . . . . 62 TYR HD1 . 17683 1 653 . 1 1 62 62 TYR HD2 H 1 7.031 0.020 . 1 . . . . 62 TYR HD2 . 17683 1 654 . 1 1 62 62 TYR HE1 H 1 6.685 0.020 . 1 . . . . 62 TYR HE1 . 17683 1 655 . 1 1 62 62 TYR HE2 H 1 6.685 0.020 . 1 . . . . 62 TYR HE2 . 17683 1 656 . 1 1 62 62 TYR C C 13 175.390 0.400 . 1 . . . . 62 TYR C . 17683 1 657 . 1 1 62 62 TYR CA C 13 59.968 0.400 . 1 . . . . 62 TYR CA . 17683 1 658 . 1 1 62 62 TYR CB C 13 40.388 0.400 . 1 . . . . 62 TYR CB . 17683 1 659 . 1 1 62 62 TYR CD1 C 13 133.230 0.400 . 1 . . . . 62 TYR CD1 . 17683 1 660 . 1 1 62 62 TYR CD2 C 13 133.253 0.400 . 1 . . . . 62 TYR CD2 . 17683 1 661 . 1 1 62 62 TYR CE1 C 13 118.051 0.400 . 1 . . . . 62 TYR CE1 . 17683 1 662 . 1 1 62 62 TYR CE2 C 13 117.910 0.400 . 1 . . . . 62 TYR CE2 . 17683 1 663 . 1 1 62 62 TYR N N 15 113.391 0.400 . 1 . . . . 62 TYR N . 17683 1 664 . 1 1 63 63 PHE H H 1 8.421 0.020 . 1 . . . . 63 PHE H . 17683 1 665 . 1 1 63 63 PHE HA H 1 4.947 0.020 . 1 . . . . 63 PHE HA . 17683 1 666 . 1 1 63 63 PHE HB2 H 1 3.572 0.020 . 2 . . . . 63 PHE HB2 . 17683 1 667 . 1 1 63 63 PHE HB3 H 1 2.478 0.020 . 2 . . . . 63 PHE HB3 . 17683 1 668 . 1 1 63 63 PHE HD1 H 1 7.394 0.020 . 1 . . . . 63 PHE HD1 . 17683 1 669 . 1 1 63 63 PHE HD2 H 1 7.394 0.020 . 1 . . . . 63 PHE HD2 . 17683 1 670 . 1 1 63 63 PHE HE1 H 1 7.047 0.020 . 1 . . . . 63 PHE HE1 . 17683 1 671 . 1 1 63 63 PHE HE2 H 1 7.047 0.020 . 1 . . . . 63 PHE HE2 . 17683 1 672 . 1 1 63 63 PHE HZ H 1 6.653 0.020 . 1 . . . . 63 PHE HZ . 17683 1 673 . 1 1 63 63 PHE C C 13 174.443 0.400 . 1 . . . . 63 PHE C . 17683 1 674 . 1 1 63 63 PHE CA C 13 55.140 0.400 . 1 . . . . 63 PHE CA . 17683 1 675 . 1 1 63 63 PHE CB C 13 40.930 0.400 . 1 . . . . 63 PHE CB . 17683 1 676 . 1 1 63 63 PHE CD1 C 13 132.181 0.400 . 1 . . . . 63 PHE CD1 . 17683 1 677 . 1 1 63 63 PHE CD2 C 13 132.291 0.400 . 1 . . . . 63 PHE CD2 . 17683 1 678 . 1 1 63 63 PHE CE1 C 13 131.070 0.400 . 1 . . . . 63 PHE CE1 . 17683 1 679 . 1 1 63 63 PHE CE2 C 13 131.220 0.400 . 1 . . . . 63 PHE CE2 . 17683 1 680 . 1 1 63 63 PHE CZ C 13 128.194 0.400 . 1 . . . . 63 PHE CZ . 17683 1 681 . 1 1 63 63 PHE N N 15 115.028 0.400 . 1 . . . . 63 PHE N . 17683 1 682 . 1 1 64 64 LYS H H 1 7.769 0.020 . 1 . . . . 64 LYS H . 17683 1 683 . 1 1 64 64 LYS HA H 1 4.175 0.020 . 1 . . . . 64 LYS HA . 17683 1 684 . 1 1 64 64 LYS HB2 H 1 2.010 0.020 . 1 . . . . 64 LYS HB2 . 17683 1 685 . 1 1 64 64 LYS HB3 H 1 2.010 0.020 . 1 . . . . 64 LYS HB3 . 17683 1 686 . 1 1 64 64 LYS HG2 H 1 1.257 0.020 . 2 . . . . 64 LYS HG2 . 17683 1 687 . 1 1 64 64 LYS HG3 H 1 1.333 0.020 . 2 . . . . 64 LYS HG3 . 17683 1 688 . 1 1 64 64 LYS HD2 H 1 1.642 0.020 . 2 . . . . 64 LYS HD2 . 17683 1 689 . 1 1 64 64 LYS HD3 H 1 1.639 0.020 . 2 . . . . 64 LYS HD3 . 17683 1 690 . 1 1 64 64 LYS HE2 H 1 2.938 0.020 . 1 . . . . 64 LYS HE2 . 17683 1 691 . 1 1 64 64 LYS HE3 H 1 2.938 0.020 . 1 . . . . 64 LYS HE3 . 17683 1 692 . 1 1 64 64 LYS C C 13 174.864 0.400 . 1 . . . . 64 LYS C . 17683 1 693 . 1 1 64 64 LYS CA C 13 57.244 0.400 . 1 . . . . 64 LYS CA . 17683 1 694 . 1 1 64 64 LYS CB C 13 29.070 0.400 . 1 . . . . 64 LYS CB . 17683 1 695 . 1 1 64 64 LYS CG C 13 24.910 0.400 . 1 . . . . 64 LYS CG . 17683 1 696 . 1 1 64 64 LYS CD C 13 28.780 0.400 . 1 . . . . 64 LYS CD . 17683 1 697 . 1 1 64 64 LYS CE C 13 41.941 0.400 . 1 . . . . 64 LYS CE . 17683 1 698 . 1 1 64 64 LYS N N 15 115.083 0.400 . 1 . . . . 64 LYS N . 17683 1 699 . 1 1 65 65 HIS H H 1 7.406 0.020 . 1 . . . . 65 HIS H . 17683 1 700 . 1 1 65 65 HIS HA H 1 4.702 0.020 . 1 . . . . 65 HIS HA . 17683 1 701 . 1 1 65 65 HIS HB2 H 1 3.220 0.020 . 2 . . . . 65 HIS HB2 . 17683 1 702 . 1 1 65 65 HIS HB3 H 1 3.157 0.020 . 2 . . . . 65 HIS HB3 . 17683 1 703 . 1 1 65 65 HIS HD2 H 1 6.978 0.020 . 1 . . . . 65 HIS HD2 . 17683 1 704 . 1 1 65 65 HIS HE1 H 1 7.732 0.020 . 1 . . . . 65 HIS HE1 . 17683 1 705 . 1 1 65 65 HIS C C 13 172.309 0.400 . 1 . . . . 65 HIS C . 17683 1 706 . 1 1 65 65 HIS CA C 13 55.620 0.400 . 1 . . . . 65 HIS CA . 17683 1 707 . 1 1 65 65 HIS CB C 13 32.550 0.400 . 1 . . . . 65 HIS CB . 17683 1 708 . 1 1 65 65 HIS CD2 C 13 118.439 0.400 . 1 . . . . 65 HIS CD2 . 17683 1 709 . 1 1 65 65 HIS CE1 C 13 138.301 0.400 . 1 . . . . 65 HIS CE1 . 17683 1 710 . 1 1 65 65 HIS N N 15 114.996 0.400 . 1 . . . . 65 HIS N . 17683 1 711 . 1 1 66 66 ASN H H 1 8.077 0.020 . 1 . . . . 66 ASN H . 17683 1 712 . 1 1 66 66 ASN HA H 1 5.007 0.020 . 1 . . . . 66 ASN HA . 17683 1 713 . 1 1 66 66 ASN HB2 H 1 2.620 0.020 . 2 . . . . 66 ASN HB2 . 17683 1 714 . 1 1 66 66 ASN HB3 H 1 3.141 0.020 . 2 . . . . 66 ASN HB3 . 17683 1 715 . 1 1 66 66 ASN HD21 H 1 7.453 0.020 . 2 . . . . 66 ASN HD21 . 17683 1 716 . 1 1 66 66 ASN HD22 H 1 6.857 0.020 . 2 . . . . 66 ASN HD22 . 17683 1 717 . 1 1 66 66 ASN CA C 13 51.765 0.400 . 1 . . . . 66 ASN CA . 17683 1 718 . 1 1 66 66 ASN CB C 13 39.532 0.400 . 1 . . . . 66 ASN CB . 17683 1 719 . 1 1 66 66 ASN N N 15 115.813 0.400 . 1 . . . . 66 ASN N . 17683 1 720 . 1 1 66 66 ASN ND2 N 15 110.696 0.400 . 1 . . . . 66 ASN ND2 . 17683 1 721 . 1 1 67 67 ASN H H 1 8.078 0.020 . 1 . . . . 67 ASN H . 17683 1 722 . 1 1 67 67 ASN HA H 1 4.879 0.020 . 1 . . . . 67 ASN HA . 17683 1 723 . 1 1 67 67 ASN HB2 H 1 2.817 0.020 . 2 . . . . 67 ASN HB2 . 17683 1 724 . 1 1 67 67 ASN HB3 H 1 3.142 0.020 . 2 . . . . 67 ASN HB3 . 17683 1 725 . 1 1 67 67 ASN HD21 H 1 7.640 0.020 . 2 . . . . 67 ASN HD21 . 17683 1 726 . 1 1 67 67 ASN HD22 H 1 6.944 0.020 . 2 . . . . 67 ASN HD22 . 17683 1 727 . 1 1 67 67 ASN C C 13 174.563 0.400 . 1 . . . . 67 ASN C . 17683 1 728 . 1 1 67 67 ASN CA C 13 52.736 0.400 . 1 . . . . 67 ASN CA . 17683 1 729 . 1 1 67 67 ASN CB C 13 40.106 0.400 . 1 . . . . 67 ASN CB . 17683 1 730 . 1 1 67 67 ASN ND2 N 15 112.430 0.400 . 1 . . . . 67 ASN ND2 . 17683 1 731 . 1 1 68 68 MET H H 1 9.152 0.020 . 1 . . . . 68 MET H . 17683 1 732 . 1 1 68 68 MET HA H 1 4.387 0.020 . 1 . . . . 68 MET HA . 17683 1 733 . 1 1 68 68 MET HB2 H 1 2.012 0.020 . 2 . . . . 68 MET HB2 . 17683 1 734 . 1 1 68 68 MET HB3 H 1 2.359 0.020 . 2 . . . . 68 MET HB3 . 17683 1 735 . 1 1 68 68 MET HG2 H 1 3.011 0.020 . 2 . . . . 68 MET HG2 . 17683 1 736 . 1 1 68 68 MET HG3 H 1 2.807 0.020 . 2 . . . . 68 MET HG3 . 17683 1 737 . 1 1 68 68 MET HE1 H 1 2.098 0.020 . 1 . . . . 68 MET HE1 . 17683 1 738 . 1 1 68 68 MET HE2 H 1 2.098 0.020 . 1 . . . . 68 MET HE2 . 17683 1 739 . 1 1 68 68 MET HE3 H 1 2.098 0.020 . 1 . . . . 68 MET HE3 . 17683 1 740 . 1 1 68 68 MET C C 13 177.208 0.400 . 1 . . . . 68 MET C . 17683 1 741 . 1 1 68 68 MET CA C 13 57.479 0.400 . 1 . . . . 68 MET CA . 17683 1 742 . 1 1 68 68 MET CB C 13 32.003 0.400 . 1 . . . . 68 MET CB . 17683 1 743 . 1 1 68 68 MET CG C 13 32.070 0.400 . 1 . . . . 68 MET CG . 17683 1 744 . 1 1 68 68 MET CE C 13 16.765 0.400 . 1 . . . . 68 MET CE . 17683 1 745 . 1 1 68 68 MET N N 15 125.636 0.400 . 1 . . . . 68 MET N . 17683 1 746 . 1 1 69 69 ALA H H 1 8.451 0.020 . 1 . . . . 69 ALA H . 17683 1 747 . 1 1 69 69 ALA HA H 1 4.161 0.020 . 1 . . . . 69 ALA HA . 17683 1 748 . 1 1 69 69 ALA HB1 H 1 1.476 0.020 . 1 . . . . 69 ALA HB1 . 17683 1 749 . 1 1 69 69 ALA HB2 H 1 1.476 0.020 . 1 . . . . 69 ALA HB2 . 17683 1 750 . 1 1 69 69 ALA HB3 H 1 1.476 0.020 . 1 . . . . 69 ALA HB3 . 17683 1 751 . 1 1 69 69 ALA C C 13 181.025 0.400 . 1 . . . . 69 ALA C . 17683 1 752 . 1 1 69 69 ALA CA C 13 55.202 0.400 . 1 . . . . 69 ALA CA . 17683 1 753 . 1 1 69 69 ALA CB C 13 17.281 0.400 . 1 . . . . 69 ALA CB . 17683 1 754 . 1 1 69 69 ALA N N 15 120.436 0.400 . 1 . . . . 69 ALA N . 17683 1 755 . 1 1 70 70 SER H H 1 8.080 0.020 . 1 . . . . 70 SER H . 17683 1 756 . 1 1 70 70 SER HA H 1 4.096 0.020 . 1 . . . . 70 SER HA . 17683 1 757 . 1 1 70 70 SER HB2 H 1 3.792 0.020 . 2 . . . . 70 SER HB2 . 17683 1 758 . 1 1 70 70 SER HB3 H 1 3.709 0.020 . 2 . . . . 70 SER HB3 . 17683 1 759 . 1 1 70 70 SER C C 13 176.096 0.400 . 1 . . . . 70 SER C . 17683 1 760 . 1 1 70 70 SER CA C 13 60.871 0.400 . 1 . . . . 70 SER CA . 17683 1 761 . 1 1 70 70 SER CB C 13 62.384 0.400 . 1 . . . . 70 SER CB . 17683 1 762 . 1 1 70 70 SER N N 15 114.621 0.400 . 1 . . . . 70 SER N . 17683 1 763 . 1 1 71 71 PHE H H 1 7.663 0.020 . 1 . . . . 71 PHE H . 17683 1 764 . 1 1 71 71 PHE HA H 1 4.253 0.020 . 1 . . . . 71 PHE HA . 17683 1 765 . 1 1 71 71 PHE HB2 H 1 3.081 0.020 . 2 . . . . 71 PHE HB2 . 17683 1 766 . 1 1 71 71 PHE HB3 H 1 3.638 0.020 . 2 . . . . 71 PHE HB3 . 17683 1 767 . 1 1 71 71 PHE HD1 H 1 7.076 0.020 . 1 . . . . 71 PHE HD1 . 17683 1 768 . 1 1 71 71 PHE HD2 H 1 7.076 0.020 . 1 . . . . 71 PHE HD2 . 17683 1 769 . 1 1 71 71 PHE HE1 H 1 6.649 0.020 . 1 . . . . 71 PHE HE1 . 17683 1 770 . 1 1 71 71 PHE HE2 H 1 6.649 0.020 . 1 . . . . 71 PHE HE2 . 17683 1 771 . 1 1 71 71 PHE HZ H 1 6.256 0.020 . 1 . . . . 71 PHE HZ . 17683 1 772 . 1 1 71 71 PHE C C 13 175.916 0.400 . 1 . . . . 71 PHE C . 17683 1 773 . 1 1 71 71 PHE CA C 13 60.688 0.400 . 1 . . . . 71 PHE CA . 17683 1 774 . 1 1 71 71 PHE CB C 13 39.795 0.400 . 1 . . . . 71 PHE CB . 17683 1 775 . 1 1 71 71 PHE CD1 C 13 132.050 0.400 . 1 . . . . 71 PHE CD1 . 17683 1 776 . 1 1 71 71 PHE CD2 C 13 131.987 0.400 . 1 . . . . 71 PHE CD2 . 17683 1 777 . 1 1 71 71 PHE CE1 C 13 130.429 0.400 . 1 . . . . 71 PHE CE1 . 17683 1 778 . 1 1 71 71 PHE CE2 C 13 130.600 0.400 . 1 . . . . 71 PHE CE2 . 17683 1 779 . 1 1 71 71 PHE CZ C 13 128.594 0.400 . 1 . . . . 71 PHE CZ . 17683 1 780 . 1 1 71 71 PHE N N 15 124.107 0.400 . 1 . . . . 71 PHE N . 17683 1 781 . 1 1 72 72 VAL H H 1 8.712 0.020 . 1 . . . . 72 VAL H . 17683 1 782 . 1 1 72 72 VAL HA H 1 3.114 0.020 . 1 . . . . 72 VAL HA . 17683 1 783 . 1 1 72 72 VAL HB H 1 2.134 0.020 . 1 . . . . 72 VAL HB . 17683 1 784 . 1 1 72 72 VAL HG11 H 1 1.009 0.020 . 2 . . . . 72 VAL HG11 . 17683 1 785 . 1 1 72 72 VAL HG12 H 1 1.009 0.020 . 2 . . . . 72 VAL HG12 . 17683 1 786 . 1 1 72 72 VAL HG13 H 1 1.009 0.020 . 2 . . . . 72 VAL HG13 . 17683 1 787 . 1 1 72 72 VAL HG21 H 1 1.243 0.020 . 2 . . . . 72 VAL HG21 . 17683 1 788 . 1 1 72 72 VAL HG22 H 1 1.243 0.020 . 2 . . . . 72 VAL HG22 . 17683 1 789 . 1 1 72 72 VAL HG23 H 1 1.243 0.020 . 2 . . . . 72 VAL HG23 . 17683 1 790 . 1 1 72 72 VAL C C 13 177.629 0.400 . 1 . . . . 72 VAL C . 17683 1 791 . 1 1 72 72 VAL CA C 13 66.527 0.400 . 1 . . . . 72 VAL CA . 17683 1 792 . 1 1 72 72 VAL CB C 13 31.434 0.400 . 1 . . . . 72 VAL CB . 17683 1 793 . 1 1 72 72 VAL CG1 C 13 21.329 0.400 . 1 . . . . 72 VAL CG1 . 17683 1 794 . 1 1 72 72 VAL CG2 C 13 23.452 0.400 . 1 . . . . 72 VAL CG2 . 17683 1 795 . 1 1 72 72 VAL N N 15 118.726 0.400 . 1 . . . . 72 VAL N . 17683 1 796 . 1 1 73 73 ARG H H 1 8.044 0.020 . 1 . . . . 73 ARG H . 17683 1 797 . 1 1 73 73 ARG HA H 1 4.006 0.020 . 1 . . . . 73 ARG HA . 17683 1 798 . 1 1 73 73 ARG HB2 H 1 1.919 0.020 . 2 . . . . 73 ARG HB2 . 17683 1 799 . 1 1 73 73 ARG HB3 H 1 1.846 0.020 . 2 . . . . 73 ARG HB3 . 17683 1 800 . 1 1 73 73 ARG HG2 H 1 1.508 0.020 . 2 . . . . 73 ARG HG2 . 17683 1 801 . 1 1 73 73 ARG HG3 H 1 1.747 0.020 . 2 . . . . 73 ARG HG3 . 17683 1 802 . 1 1 73 73 ARG HD2 H 1 3.169 0.020 . 1 . . . . 73 ARG HD2 . 17683 1 803 . 1 1 73 73 ARG HD3 H 1 3.169 0.020 . 1 . . . . 73 ARG HD3 . 17683 1 804 . 1 1 73 73 ARG C C 13 178.981 0.400 . 1 . . . . 73 ARG C . 17683 1 805 . 1 1 73 73 ARG CA C 13 59.712 0.400 . 1 . . . . 73 ARG CA . 17683 1 806 . 1 1 73 73 ARG CB C 13 29.567 0.400 . 1 . . . . 73 ARG CB . 17683 1 807 . 1 1 73 73 ARG CG C 13 27.605 0.400 . 1 . . . . 73 ARG CG . 17683 1 808 . 1 1 73 73 ARG CD C 13 43.213 0.400 . 1 . . . . 73 ARG CD . 17683 1 809 . 1 1 73 73 ARG N N 15 120.255 0.400 . 1 . . . . 73 ARG N . 17683 1 810 . 1 1 74 74 GLN H H 1 7.421 0.020 . 1 . . . . 74 GLN H . 17683 1 811 . 1 1 74 74 GLN HA H 1 3.725 0.020 . 1 . . . . 74 GLN HA . 17683 1 812 . 1 1 74 74 GLN HB2 H 1 1.003 0.020 . 2 . . . . 74 GLN HB2 . 17683 1 813 . 1 1 74 74 GLN HB3 H 1 1.616 0.020 . 2 . . . . 74 GLN HB3 . 17683 1 814 . 1 1 74 74 GLN HG2 H 1 1.846 0.020 . 2 . . . . 74 GLN HG2 . 17683 1 815 . 1 1 74 74 GLN HG3 H 1 1.649 0.020 . 2 . . . . 74 GLN HG3 . 17683 1 816 . 1 1 74 74 GLN HE21 H 1 6.723 0.020 . 2 . . . . 74 GLN HE21 . 17683 1 817 . 1 1 74 74 GLN HE22 H 1 6.645 0.020 . 2 . . . . 74 GLN HE22 . 17683 1 818 . 1 1 74 74 GLN C C 13 177.599 0.400 . 1 . . . . 74 GLN C . 17683 1 819 . 1 1 74 74 GLN CA C 13 58.855 0.400 . 1 . . . . 74 GLN CA . 17683 1 820 . 1 1 74 74 GLN CB C 13 27.766 0.400 . 1 . . . . 74 GLN CB . 17683 1 821 . 1 1 74 74 GLN CG C 13 33.720 0.400 . 1 . . . . 74 GLN CG . 17683 1 822 . 1 1 74 74 GLN N N 15 119.507 0.400 . 1 . . . . 74 GLN N . 17683 1 823 . 1 1 74 74 GLN NE2 N 15 111.277 0.400 . 1 . . . . 74 GLN NE2 . 17683 1 824 . 1 1 75 75 LEU H H 1 7.439 0.020 . 1 . . . . 75 LEU H . 17683 1 825 . 1 1 75 75 LEU HA H 1 3.672 0.020 . 1 . . . . 75 LEU HA . 17683 1 826 . 1 1 75 75 LEU HB2 H 1 1.571 0.020 . 2 . . . . 75 LEU HB2 . 17683 1 827 . 1 1 75 75 LEU HB3 H 1 0.582 0.020 . 2 . . . . 75 LEU HB3 . 17683 1 828 . 1 1 75 75 LEU HG H 1 0.659 0.020 . 1 . . . . 75 LEU HG . 17683 1 829 . 1 1 75 75 LEU HD11 H 1 -0.761 0.020 . 2 . . . . 75 LEU HD11 . 17683 1 830 . 1 1 75 75 LEU HD12 H 1 -0.761 0.020 . 2 . . . . 75 LEU HD12 . 17683 1 831 . 1 1 75 75 LEU HD13 H 1 -0.761 0.020 . 2 . . . . 75 LEU HD13 . 17683 1 832 . 1 1 75 75 LEU HD21 H 1 -0.522 0.020 . 2 . . . . 75 LEU HD21 . 17683 1 833 . 1 1 75 75 LEU HD22 H 1 -0.522 0.020 . 2 . . . . 75 LEU HD22 . 17683 1 834 . 1 1 75 75 LEU HD23 H 1 -0.522 0.020 . 2 . . . . 75 LEU HD23 . 17683 1 835 . 1 1 75 75 LEU C C 13 180.123 0.400 . 1 . . . . 75 LEU C . 17683 1 836 . 1 1 75 75 LEU CA C 13 57.877 0.400 . 1 . . . . 75 LEU CA . 17683 1 837 . 1 1 75 75 LEU CB C 13 39.877 0.400 . 1 . . . . 75 LEU CB . 17683 1 838 . 1 1 75 75 LEU CG C 13 24.832 0.400 . 1 . . . . 75 LEU CG . 17683 1 839 . 1 1 75 75 LEU CD1 C 13 24.730 0.400 . 1 . . . . 75 LEU CD1 . 17683 1 840 . 1 1 75 75 LEU CD2 C 13 21.859 0.400 . 1 . . . . 75 LEU CD2 . 17683 1 841 . 1 1 75 75 LEU N N 15 117.285 0.400 . 1 . . . . 75 LEU N . 17683 1 842 . 1 1 76 76 ASN H H 1 8.536 0.020 . 1 . . . . 76 ASN H . 17683 1 843 . 1 1 76 76 ASN HA H 1 4.553 0.020 . 1 . . . . 76 ASN HA . 17683 1 844 . 1 1 76 76 ASN HB2 H 1 2.869 0.020 . 2 . . . . 76 ASN HB2 . 17683 1 845 . 1 1 76 76 ASN HB3 H 1 2.916 0.020 . 2 . . . . 76 ASN HB3 . 17683 1 846 . 1 1 76 76 ASN HD21 H 1 7.520 0.020 . 2 . . . . 76 ASN HD21 . 17683 1 847 . 1 1 76 76 ASN HD22 H 1 6.919 0.020 . 2 . . . . 76 ASN HD22 . 17683 1 848 . 1 1 76 76 ASN C C 13 179.282 0.400 . 1 . . . . 76 ASN C . 17683 1 849 . 1 1 76 76 ASN CA C 13 56.481 0.400 . 1 . . . . 76 ASN CA . 17683 1 850 . 1 1 76 76 ASN CB C 13 38.536 0.400 . 1 . . . . 76 ASN CB . 17683 1 851 . 1 1 76 76 ASN N N 15 118.452 0.400 . 1 . . . . 76 ASN N . 17683 1 852 . 1 1 76 76 ASN ND2 N 15 110.650 0.400 . 1 . . . . 76 ASN ND2 . 17683 1 853 . 1 1 77 77 MET H H 1 8.185 0.020 . 1 . . . . 77 MET H . 17683 1 854 . 1 1 77 77 MET HA H 1 4.133 0.020 . 1 . . . . 77 MET HA . 17683 1 855 . 1 1 77 77 MET HB2 H 1 2.056 0.020 . 2 . . . . 77 MET HB2 . 17683 1 856 . 1 1 77 77 MET HB3 H 1 1.896 0.020 . 2 . . . . 77 MET HB3 . 17683 1 857 . 1 1 77 77 MET HG2 H 1 2.419 0.020 . 2 . . . . 77 MET HG2 . 17683 1 858 . 1 1 77 77 MET HG3 H 1 2.298 0.020 . 2 . . . . 77 MET HG3 . 17683 1 859 . 1 1 77 77 MET HE1 H 1 1.823 0.020 . 1 . . . . 77 MET HE1 . 17683 1 860 . 1 1 77 77 MET HE2 H 1 1.823 0.020 . 1 . . . . 77 MET HE2 . 17683 1 861 . 1 1 77 77 MET HE3 H 1 1.823 0.020 . 1 . . . . 77 MET HE3 . 17683 1 862 . 1 1 77 77 MET C C 13 176.637 0.400 . 1 . . . . 77 MET C . 17683 1 863 . 1 1 77 77 MET CA C 13 58.104 0.400 . 1 . . . . 77 MET CA . 17683 1 864 . 1 1 77 77 MET CB C 13 31.974 0.400 . 1 . . . . 77 MET CB . 17683 1 865 . 1 1 77 77 MET CG C 13 31.605 0.400 . 1 . . . . 77 MET CG . 17683 1 866 . 1 1 77 77 MET CE C 13 16.765 0.400 . 1 . . . . 77 MET CE . 17683 1 867 . 1 1 77 77 MET N N 15 121.614 0.400 . 1 . . . . 77 MET N . 17683 1 868 . 1 1 78 78 TYR H H 1 7.505 0.020 . 1 . . . . 78 TYR H . 17683 1 869 . 1 1 78 78 TYR HA H 1 4.765 0.020 . 1 . . . . 78 TYR HA . 17683 1 870 . 1 1 78 78 TYR HB2 H 1 2.819 0.020 . 2 . . . . 78 TYR HB2 . 17683 1 871 . 1 1 78 78 TYR HB3 H 1 3.685 0.020 . 2 . . . . 78 TYR HB3 . 17683 1 872 . 1 1 78 78 TYR HD1 H 1 7.099 0.020 . 1 . . . . 78 TYR HD1 . 17683 1 873 . 1 1 78 78 TYR HD2 H 1 7.099 0.020 . 1 . . . . 78 TYR HD2 . 17683 1 874 . 1 1 78 78 TYR HE1 H 1 6.669 0.020 . 1 . . . . 78 TYR HE1 . 17683 1 875 . 1 1 78 78 TYR HE2 H 1 6.669 0.020 . 1 . . . . 78 TYR HE2 . 17683 1 876 . 1 1 78 78 TYR C C 13 174.413 0.400 . 1 . . . . 78 TYR C . 17683 1 877 . 1 1 78 78 TYR CA C 13 59.191 0.400 . 1 . . . . 78 TYR CA . 17683 1 878 . 1 1 78 78 TYR CB C 13 38.851 0.400 . 1 . . . . 78 TYR CB . 17683 1 879 . 1 1 78 78 TYR CD1 C 13 133.230 0.400 . 1 . . . . 78 TYR CD1 . 17683 1 880 . 1 1 78 78 TYR CD2 C 13 133.253 0.400 . 1 . . . . 78 TYR CD2 . 17683 1 881 . 1 1 78 78 TYR CE1 C 13 117.541 0.400 . 1 . . . . 78 TYR CE1 . 17683 1 882 . 1 1 78 78 TYR CE2 C 13 117.788 0.400 . 1 . . . . 78 TYR CE2 . 17683 1 883 . 1 1 78 78 TYR N N 15 115.682 0.400 . 1 . . . . 78 TYR N . 17683 1 884 . 1 1 79 79 GLY H H 1 7.954 0.020 . 1 . . . . 79 GLY H . 17683 1 885 . 1 1 79 79 GLY HA2 H 1 3.909 0.020 . 2 . . . . 79 GLY HA2 . 17683 1 886 . 1 1 79 79 GLY HA3 H 1 4.296 0.020 . 2 . . . . 79 GLY HA3 . 17683 1 887 . 1 1 79 79 GLY C C 13 176.066 0.400 . 1 . . . . 79 GLY C . 17683 1 888 . 1 1 79 79 GLY CA C 13 46.149 0.400 . 1 . . . . 79 GLY CA . 17683 1 889 . 1 1 79 79 GLY N N 15 103.999 0.400 . 1 . . . . 79 GLY N . 17683 1 890 . 1 1 80 80 PHE H H 1 8.316 0.020 . 1 . . . . 80 PHE H . 17683 1 891 . 1 1 80 80 PHE HA H 1 4.620 0.020 . 1 . . . . 80 PHE HA . 17683 1 892 . 1 1 80 80 PHE HB2 H 1 2.999 0.020 . 2 . . . . 80 PHE HB2 . 17683 1 893 . 1 1 80 80 PHE HB3 H 1 2.605 0.020 . 2 . . . . 80 PHE HB3 . 17683 1 894 . 1 1 80 80 PHE HD1 H 1 7.333 0.020 . 1 . . . . 80 PHE HD1 . 17683 1 895 . 1 1 80 80 PHE HD2 H 1 7.333 0.020 . 1 . . . . 80 PHE HD2 . 17683 1 896 . 1 1 80 80 PHE HE1 H 1 6.709 0.020 . 1 . . . . 80 PHE HE1 . 17683 1 897 . 1 1 80 80 PHE HE2 H 1 6.709 0.020 . 1 . . . . 80 PHE HE2 . 17683 1 898 . 1 1 80 80 PHE HZ H 1 6.249 0.020 . 1 . . . . 80 PHE HZ . 17683 1 899 . 1 1 80 80 PHE C C 13 175.856 0.400 . 1 . . . . 80 PHE C . 17683 1 900 . 1 1 80 80 PHE CA C 13 58.796 0.400 . 1 . . . . 80 PHE CA . 17683 1 901 . 1 1 80 80 PHE CB C 13 39.896 0.400 . 1 . . . . 80 PHE CB . 17683 1 902 . 1 1 80 80 PHE CD1 C 13 131.969 0.400 . 1 . . . . 80 PHE CD1 . 17683 1 903 . 1 1 80 80 PHE CD2 C 13 132.159 0.400 . 1 . . . . 80 PHE CD2 . 17683 1 904 . 1 1 80 80 PHE CE1 C 13 130.716 0.400 . 1 . . . . 80 PHE CE1 . 17683 1 905 . 1 1 80 80 PHE CE2 C 13 130.600 0.400 . 1 . . . . 80 PHE CE2 . 17683 1 906 . 1 1 80 80 PHE CZ C 13 129.140 0.400 . 1 . . . . 80 PHE CZ . 17683 1 907 . 1 1 80 80 PHE N N 15 118.914 0.400 . 1 . . . . 80 PHE N . 17683 1 908 . 1 1 81 81 ARG H H 1 9.166 0.020 . 1 . . . . 81 ARG H . 17683 1 909 . 1 1 81 81 ARG HA H 1 4.790 0.020 . 1 . . . . 81 ARG HA . 17683 1 910 . 1 1 81 81 ARG HB2 H 1 1.868 0.020 . 2 . . . . 81 ARG HB2 . 17683 1 911 . 1 1 81 81 ARG HB3 H 1 1.784 0.020 . 2 . . . . 81 ARG HB3 . 17683 1 912 . 1 1 81 81 ARG HG2 H 1 1.642 0.020 . 1 . . . . 81 ARG HG2 . 17683 1 913 . 1 1 81 81 ARG HG3 H 1 1.642 0.020 . 1 . . . . 81 ARG HG3 . 17683 1 914 . 1 1 81 81 ARG HD2 H 1 3.195 0.020 . 2 . . . . 81 ARG HD2 . 17683 1 915 . 1 1 81 81 ARG HD3 H 1 3.197 0.020 . 2 . . . . 81 ARG HD3 . 17683 1 916 . 1 1 81 81 ARG C C 13 174.984 0.400 . 1 . . . . 81 ARG C . 17683 1 917 . 1 1 81 81 ARG CA C 13 54.212 0.400 . 1 . . . . 81 ARG CA . 17683 1 918 . 1 1 81 81 ARG CB C 13 33.145 0.400 . 1 . . . . 81 ARG CB . 17683 1 919 . 1 1 81 81 ARG CG C 13 27.310 0.400 . 1 . . . . 81 ARG CG . 17683 1 920 . 1 1 81 81 ARG CD C 13 43.100 0.400 . 1 . . . . 81 ARG CD . 17683 1 921 . 1 1 81 81 ARG N N 15 121.147 0.400 . 1 . . . . 81 ARG N . 17683 1 922 . 1 1 82 82 LYS H H 1 8.627 0.020 . 1 . . . . 82 LYS H . 17683 1 923 . 1 1 82 82 LYS HA H 1 4.534 0.020 . 1 . . . . 82 LYS HA . 17683 1 924 . 1 1 82 82 LYS HB2 H 1 1.483 0.020 . 2 . . . . 82 LYS HB2 . 17683 1 925 . 1 1 82 82 LYS HB3 H 1 1.559 0.020 . 2 . . . . 82 LYS HB3 . 17683 1 926 . 1 1 82 82 LYS HG2 H 1 0.790 0.020 . 2 . . . . 82 LYS HG2 . 17683 1 927 . 1 1 82 82 LYS HG3 H 1 0.953 0.020 . 2 . . . . 82 LYS HG3 . 17683 1 928 . 1 1 82 82 LYS HD2 H 1 1.520 0.020 . 2 . . . . 82 LYS HD2 . 17683 1 929 . 1 1 82 82 LYS HD3 H 1 1.484 0.020 . 2 . . . . 82 LYS HD3 . 17683 1 930 . 1 1 82 82 LYS HE2 H 1 2.822 0.020 . 1 . . . . 82 LYS HE2 . 17683 1 931 . 1 1 82 82 LYS HE3 H 1 2.822 0.020 . 1 . . . . 82 LYS HE3 . 17683 1 932 . 1 1 82 82 LYS C C 13 176.096 0.400 . 1 . . . . 82 LYS C . 17683 1 933 . 1 1 82 82 LYS CA C 13 55.127 0.400 . 1 . . . . 82 LYS CA . 17683 1 934 . 1 1 82 82 LYS CB C 13 33.460 0.400 . 1 . . . . 82 LYS CB . 17683 1 935 . 1 1 82 82 LYS CG C 13 24.645 0.400 . 1 . . . . 82 LYS CG . 17683 1 936 . 1 1 82 82 LYS CD C 13 29.200 0.400 . 1 . . . . 82 LYS CD . 17683 1 937 . 1 1 82 82 LYS CE C 13 41.544 0.400 . 1 . . . . 82 LYS CE . 17683 1 938 . 1 1 82 82 LYS N N 15 124.110 0.400 . 1 . . . . 82 LYS N . 17683 1 939 . 1 1 83 83 VAL H H 1 8.521 0.020 . 1 . . . . 83 VAL H . 17683 1 940 . 1 1 83 83 VAL HA H 1 3.799 0.020 . 1 . . . . 83 VAL HA . 17683 1 941 . 1 1 83 83 VAL HB H 1 1.461 0.020 . 1 . . . . 83 VAL HB . 17683 1 942 . 1 1 83 83 VAL HG11 H 1 0.543 0.020 . 2 . . . . 83 VAL HG11 . 17683 1 943 . 1 1 83 83 VAL HG12 H 1 0.543 0.020 . 2 . . . . 83 VAL HG12 . 17683 1 944 . 1 1 83 83 VAL HG13 H 1 0.543 0.020 . 2 . . . . 83 VAL HG13 . 17683 1 945 . 1 1 83 83 VAL HG21 H 1 0.629 0.020 . 2 . . . . 83 VAL HG21 . 17683 1 946 . 1 1 83 83 VAL HG22 H 1 0.629 0.020 . 2 . . . . 83 VAL HG22 . 17683 1 947 . 1 1 83 83 VAL HG23 H 1 0.629 0.020 . 2 . . . . 83 VAL HG23 . 17683 1 948 . 1 1 83 83 VAL C C 13 174.714 0.400 . 1 . . . . 83 VAL C . 17683 1 949 . 1 1 83 83 VAL CA C 13 61.983 0.400 . 1 . . . . 83 VAL CA . 17683 1 950 . 1 1 83 83 VAL CB C 13 32.778 0.400 . 1 . . . . 83 VAL CB . 17683 1 951 . 1 1 83 83 VAL CG1 C 13 20.385 0.400 . 1 . . . . 83 VAL CG1 . 17683 1 952 . 1 1 83 83 VAL CG2 C 13 20.817 0.400 . 1 . . . . 83 VAL CG2 . 17683 1 953 . 1 1 83 83 VAL N N 15 128.638 0.400 . 1 . . . . 83 VAL N . 17683 1 954 . 1 1 84 84 VAL H H 1 8.309 0.020 . 1 . . . . 84 VAL H . 17683 1 955 . 1 1 84 84 VAL HA H 1 3.957 0.020 . 1 . . . . 84 VAL HA . 17683 1 956 . 1 1 84 84 VAL HB H 1 1.918 0.020 . 1 . . . . 84 VAL HB . 17683 1 957 . 1 1 84 84 VAL HG11 H 1 0.841 0.020 . 2 . . . . 84 VAL HG11 . 17683 1 958 . 1 1 84 84 VAL HG12 H 1 0.841 0.020 . 2 . . . . 84 VAL HG12 . 17683 1 959 . 1 1 84 84 VAL HG13 H 1 0.841 0.020 . 2 . . . . 84 VAL HG13 . 17683 1 960 . 1 1 84 84 VAL HG21 H 1 0.869 0.020 . 2 . . . . 84 VAL HG21 . 17683 1 961 . 1 1 84 84 VAL HG22 H 1 0.869 0.020 . 2 . . . . 84 VAL HG22 . 17683 1 962 . 1 1 84 84 VAL HG23 H 1 0.869 0.020 . 2 . . . . 84 VAL HG23 . 17683 1 963 . 1 1 84 84 VAL C C 13 175.495 0.400 . 1 . . . . 84 VAL C . 17683 1 964 . 1 1 84 84 VAL CA C 13 61.897 0.400 . 1 . . . . 84 VAL CA . 17683 1 965 . 1 1 84 84 VAL CB C 13 32.476 0.400 . 1 . . . . 84 VAL CB . 17683 1 966 . 1 1 84 84 VAL CG1 C 13 20.767 0.400 . 1 . . . . 84 VAL CG1 . 17683 1 967 . 1 1 84 84 VAL CG2 C 13 20.718 0.400 . 1 . . . . 84 VAL CG2 . 17683 1 968 . 1 1 84 84 VAL N N 15 127.052 0.400 . 1 . . . . 84 VAL N . 17683 1 969 . 1 1 85 85 HIS H H 1 8.675 0.020 . 1 . . . . 85 HIS H . 17683 1 970 . 1 1 85 85 HIS HA H 1 4.800 0.020 . 1 . . . . 85 HIS HA . 17683 1 971 . 1 1 85 85 HIS HB2 H 1 3.206 0.020 . 2 . . . . 85 HIS HB2 . 17683 1 972 . 1 1 85 85 HIS HB3 H 1 3.115 0.020 . 2 . . . . 85 HIS HB3 . 17683 1 973 . 1 1 85 85 HIS HD2 H 1 7.078 0.020 . 1 . . . . 85 HIS HD2 . 17683 1 974 . 1 1 85 85 HIS HE1 H 1 8.281 0.020 . 1 . . . . 85 HIS HE1 . 17683 1 975 . 1 1 85 85 HIS C C 13 174.473 0.400 . 1 . . . . 85 HIS C . 17683 1 976 . 1 1 85 85 HIS CA C 13 55.079 0.400 . 1 . . . . 85 HIS CA . 17683 1 977 . 1 1 85 85 HIS CB C 13 29.967 0.400 . 1 . . . . 85 HIS CB . 17683 1 978 . 1 1 85 85 HIS CD2 C 13 119.727 0.400 . 1 . . . . 85 HIS CD2 . 17683 1 979 . 1 1 85 85 HIS CE1 C 13 136.914 0.400 . 1 . . . . 85 HIS CE1 . 17683 1 980 . 1 1 85 85 HIS N N 15 125.850 0.400 . 1 . . . . 85 HIS N . 17683 1 981 . 1 1 86 86 ILE H H 1 8.418 0.020 . 1 . . . . 86 ILE H . 17683 1 982 . 1 1 86 86 ILE HA H 1 4.227 0.020 . 1 . . . . 86 ILE HA . 17683 1 983 . 1 1 86 86 ILE HB H 1 1.856 0.020 . 1 . . . . 86 ILE HB . 17683 1 984 . 1 1 86 86 ILE HG12 H 1 1.471 0.020 . 2 . . . . 86 ILE HG12 . 17683 1 985 . 1 1 86 86 ILE HG13 H 1 1.190 0.020 . 2 . . . . 86 ILE HG13 . 17683 1 986 . 1 1 86 86 ILE HG21 H 1 0.888 0.020 . 1 . . . . 86 ILE HG21 . 17683 1 987 . 1 1 86 86 ILE HG22 H 1 0.888 0.020 . 1 . . . . 86 ILE HG22 . 17683 1 988 . 1 1 86 86 ILE HG23 H 1 0.888 0.020 . 1 . . . . 86 ILE HG23 . 17683 1 989 . 1 1 86 86 ILE HD11 H 1 0.860 0.020 . 1 . . . . 86 ILE HD11 . 17683 1 990 . 1 1 86 86 ILE HD12 H 1 0.860 0.020 . 1 . . . . 86 ILE HD12 . 17683 1 991 . 1 1 86 86 ILE HD13 H 1 0.860 0.020 . 1 . . . . 86 ILE HD13 . 17683 1 992 . 1 1 86 86 ILE C C 13 175.820 0.400 . 1 . . . . 86 ILE C . 17683 1 993 . 1 1 86 86 ILE CA C 13 60.976 0.400 . 1 . . . . 86 ILE CA . 17683 1 994 . 1 1 86 86 ILE CB C 13 39.047 0.400 . 1 . . . . 86 ILE CB . 17683 1 995 . 1 1 86 86 ILE CG1 C 13 26.982 0.400 . 1 . . . . 86 ILE CG1 . 17683 1 996 . 1 1 86 86 ILE CG2 C 13 17.360 0.400 . 1 . . . . 86 ILE CG2 . 17683 1 997 . 1 1 86 86 ILE CD1 C 13 12.478 0.400 . 1 . . . . 86 ILE CD1 . 17683 1 998 . 1 1 86 86 ILE N N 15 123.030 0.400 . 1 . . . . 86 ILE N . 17683 1 999 . 1 1 87 87 GLU H H 1 8.778 0.020 . 1 . . . . 87 GLU H . 17683 1 1000 . 1 1 87 87 GLU HA H 1 4.353 0.020 . 1 . . . . 87 GLU HA . 17683 1 1001 . 1 1 87 87 GLU HB2 H 1 2.072 0.020 . 2 . . . . 87 GLU HB2 . 17683 1 1002 . 1 1 87 87 GLU HB3 H 1 1.951 0.020 . 2 . . . . 87 GLU HB3 . 17683 1 1003 . 1 1 87 87 GLU HG2 H 1 2.292 0.020 . 2 . . . . 87 GLU HG2 . 17683 1 1004 . 1 1 87 87 GLU HG3 H 1 2.290 0.020 . 2 . . . . 87 GLU HG3 . 17683 1 1005 . 1 1 87 87 GLU C C 13 176.186 0.400 . 1 . . . . 87 GLU C . 17683 1 1006 . 1 1 87 87 GLU CA C 13 55.984 0.400 . 1 . . . . 87 GLU CA . 17683 1 1007 . 1 1 87 87 GLU CB C 13 30.029 0.400 . 1 . . . . 87 GLU CB . 17683 1 1008 . 1 1 87 87 GLU CG C 13 36.010 0.400 . 1 . . . . 87 GLU CG . 17683 1 1009 . 1 1 87 87 GLU N N 15 126.020 0.400 . 1 . . . . 87 GLU N . 17683 1 1010 . 1 1 88 88 GLN H H 1 8.644 0.020 . 1 . . . . 88 GLN H . 17683 1 1011 . 1 1 88 88 GLN HA H 1 4.331 0.020 . 1 . . . . 88 GLN HA . 17683 1 1012 . 1 1 88 88 GLN HB2 H 1 2.153 0.020 . 2 . . . . 88 GLN HB2 . 17683 1 1013 . 1 1 88 88 GLN HB3 H 1 2.004 0.020 . 2 . . . . 88 GLN HB3 . 17683 1 1014 . 1 1 88 88 GLN HG2 H 1 2.388 0.020 . 2 . . . . 88 GLN HG2 . 17683 1 1015 . 1 1 88 88 GLN HG3 H 1 2.392 0.020 . 2 . . . . 88 GLN HG3 . 17683 1 1016 . 1 1 88 88 GLN HE21 H 1 7.593 0.020 . 2 . . . . 88 GLN HE21 . 17683 1 1017 . 1 1 88 88 GLN HE22 H 1 6.882 0.020 . 2 . . . . 88 GLN HE22 . 17683 1 1018 . 1 1 88 88 GLN C C 13 176.390 0.400 . 1 . . . . 88 GLN C . 17683 1 1019 . 1 1 88 88 GLN CA C 13 56.184 0.400 . 1 . . . . 88 GLN CA . 17683 1 1020 . 1 1 88 88 GLN CB C 13 29.228 0.400 . 1 . . . . 88 GLN CB . 17683 1 1021 . 1 1 88 88 GLN CG C 13 33.720 0.400 . 1 . . . . 88 GLN CG . 17683 1 1022 . 1 1 88 88 GLN N N 15 122.181 0.400 . 1 . . . . 88 GLN N . 17683 1 1023 . 1 1 88 88 GLN NE2 N 15 112.211 0.400 . 1 . . . . 88 GLN NE2 . 17683 1 1024 . 1 1 89 89 GLY H H 1 8.625 0.020 . 1 . . . . 89 GLY H . 17683 1 1025 . 1 1 89 89 GLY HA2 H 1 3.956 0.020 . 2 . . . . 89 GLY HA2 . 17683 1 1026 . 1 1 89 89 GLY HA3 H 1 4.002 0.020 . 2 . . . . 89 GLY HA3 . 17683 1 1027 . 1 1 89 89 GLY C C 13 174.593 0.400 . 1 . . . . 89 GLY C . 17683 1 1028 . 1 1 89 89 GLY CA C 13 45.239 0.400 . 1 . . . . 89 GLY CA . 17683 1 1029 . 1 1 89 89 GLY N N 15 110.175 0.400 . 1 . . . . 89 GLY N . 17683 1 1030 . 1 1 90 90 GLY H H 1 8.337 0.020 . 1 . . . . 90 GLY H . 17683 1 1031 . 1 1 90 90 GLY HA2 H 1 3.958 0.020 . 2 . . . . 90 GLY HA2 . 17683 1 1032 . 1 1 90 90 GLY HA3 H 1 3.974 0.020 . 2 . . . . 90 GLY HA3 . 17683 1 1033 . 1 1 90 90 GLY C C 13 173.842 0.400 . 1 . . . . 90 GLY C . 17683 1 1034 . 1 1 90 90 GLY CA C 13 45.109 0.400 . 1 . . . . 90 GLY CA . 17683 1 1035 . 1 1 90 90 GLY N N 15 108.580 0.400 . 1 . . . . 90 GLY N . 17683 1 1036 . 1 1 91 91 LEU H H 1 8.099 0.020 . 1 . . . . 91 LEU H . 17683 1 1037 . 1 1 91 91 LEU HA H 1 4.361 0.020 . 1 . . . . 91 LEU HA . 17683 1 1038 . 1 1 91 91 LEU HB2 H 1 1.650 0.020 . 2 . . . . 91 LEU HB2 . 17683 1 1039 . 1 1 91 91 LEU HB3 H 1 1.593 0.020 . 2 . . . . 91 LEU HB3 . 17683 1 1040 . 1 1 91 91 LEU HG H 1 1.606 0.020 . 1 . . . . 91 LEU HG . 17683 1 1041 . 1 1 91 91 LEU HD11 H 1 0.928 0.020 . 2 . . . . 91 LEU HD11 . 17683 1 1042 . 1 1 91 91 LEU HD12 H 1 0.928 0.020 . 2 . . . . 91 LEU HD12 . 17683 1 1043 . 1 1 91 91 LEU HD13 H 1 0.928 0.020 . 2 . . . . 91 LEU HD13 . 17683 1 1044 . 1 1 91 91 LEU HD21 H 1 0.866 0.020 . 2 . . . . 91 LEU HD21 . 17683 1 1045 . 1 1 91 91 LEU HD22 H 1 0.866 0.020 . 2 . . . . 91 LEU HD22 . 17683 1 1046 . 1 1 91 91 LEU HD23 H 1 0.866 0.020 . 2 . . . . 91 LEU HD23 . 17683 1 1047 . 1 1 91 91 LEU C C 13 177.148 0.400 . 1 . . . . 91 LEU C . 17683 1 1048 . 1 1 91 91 LEU CA C 13 55.204 0.400 . 1 . . . . 91 LEU CA . 17683 1 1049 . 1 1 91 91 LEU CB C 13 42.440 0.400 . 1 . . . . 91 LEU CB . 17683 1 1050 . 1 1 91 91 LEU CG C 13 26.770 0.400 . 1 . . . . 91 LEU CG . 17683 1 1051 . 1 1 91 91 LEU CD1 C 13 24.730 0.400 . 1 . . . . 91 LEU CD1 . 17683 1 1052 . 1 1 91 91 LEU CD2 C 13 23.170 0.400 . 1 . . . . 91 LEU CD2 . 17683 1 1053 . 1 1 91 91 LEU N N 15 121.292 0.400 . 1 . . . . 91 LEU N . 17683 1 1054 . 1 1 92 92 VAL H H 1 8.079 0.020 . 1 . . . . 92 VAL H . 17683 1 1055 . 1 1 92 92 VAL HA H 1 4.074 0.020 . 1 . . . . 92 VAL HA . 17683 1 1056 . 1 1 92 92 VAL HB H 1 2.027 0.020 . 1 . . . . 92 VAL HB . 17683 1 1057 . 1 1 92 92 VAL HG11 H 1 0.922 0.020 . 1 . . . . 92 VAL HG11 . 17683 1 1058 . 1 1 92 92 VAL HG12 H 1 0.922 0.020 . 1 . . . . 92 VAL HG12 . 17683 1 1059 . 1 1 92 92 VAL HG13 H 1 0.922 0.020 . 1 . . . . 92 VAL HG13 . 17683 1 1060 . 1 1 92 92 VAL HG21 H 1 0.923 0.020 . 1 . . . . 92 VAL HG21 . 17683 1 1061 . 1 1 92 92 VAL HG22 H 1 0.923 0.020 . 1 . . . . 92 VAL HG22 . 17683 1 1062 . 1 1 92 92 VAL HG23 H 1 0.923 0.020 . 1 . . . . 92 VAL HG23 . 17683 1 1063 . 1 1 92 92 VAL C C 13 175.690 0.400 . 1 . . . . 92 VAL C . 17683 1 1064 . 1 1 92 92 VAL CA C 13 62.179 0.400 . 1 . . . . 92 VAL CA . 17683 1 1065 . 1 1 92 92 VAL CB C 13 32.842 0.400 . 1 . . . . 92 VAL CB . 17683 1 1066 . 1 1 92 92 VAL CG1 C 13 20.767 0.400 . 1 . . . . 92 VAL CG1 . 17683 1 1067 . 1 1 92 92 VAL CG2 C 13 20.718 0.400 . 1 . . . . 92 VAL CG2 . 17683 1 1068 . 1 1 92 92 VAL N N 15 120.593 0.400 . 1 . . . . 92 VAL N . 17683 1 1069 . 1 1 93 93 LYS H H 1 8.390 0.020 . 1 . . . . 93 LYS H . 17683 1 1070 . 1 1 93 93 LYS HA H 1 4.625 0.020 . 1 . . . . 93 LYS HA . 17683 1 1071 . 1 1 93 93 LYS HB2 H 1 1.733 0.020 . 2 . . . . 93 LYS HB2 . 17683 1 1072 . 1 1 93 93 LYS HB3 H 1 1.851 0.020 . 2 . . . . 93 LYS HB3 . 17683 1 1073 . 1 1 93 93 LYS HG2 H 1 1.435 0.020 . 2 . . . . 93 LYS HG2 . 17683 1 1074 . 1 1 93 93 LYS HG3 H 1 1.476 0.020 . 2 . . . . 93 LYS HG3 . 17683 1 1075 . 1 1 93 93 LYS HD2 H 1 1.703 0.020 . 1 . . . . 93 LYS HD2 . 17683 1 1076 . 1 1 93 93 LYS HD3 H 1 1.703 0.020 . 1 . . . . 93 LYS HD3 . 17683 1 1077 . 1 1 93 93 LYS HE2 H 1 3.013 0.020 . 2 . . . . 93 LYS HE2 . 17683 1 1078 . 1 1 93 93 LYS HE3 H 1 3.018 0.020 . 2 . . . . 93 LYS HE3 . 17683 1 1079 . 1 1 93 93 LYS CA C 13 53.879 0.400 . 1 . . . . 93 LYS CA . 17683 1 1080 . 1 1 93 93 LYS CB C 13 32.463 0.400 . 1 . . . . 93 LYS CB . 17683 1 1081 . 1 1 93 93 LYS CG C 13 24.181 0.400 . 1 . . . . 93 LYS CG . 17683 1 1082 . 1 1 93 93 LYS CD C 13 28.780 0.400 . 1 . . . . 93 LYS CD . 17683 1 1083 . 1 1 93 93 LYS CE C 13 41.780 0.400 . 1 . . . . 93 LYS CE . 17683 1 1084 . 1 1 93 93 LYS N N 15 126.113 0.400 . 1 . . . . 93 LYS N . 17683 1 1085 . 1 1 94 94 PRO HA H 1 4.449 0.020 . 1 . . . . 94 PRO HA . 17683 1 1086 . 1 1 94 94 PRO HB2 H 1 1.979 0.020 . 2 . . . . 94 PRO HB2 . 17683 1 1087 . 1 1 94 94 PRO HB3 H 1 2.344 0.020 . 2 . . . . 94 PRO HB3 . 17683 1 1088 . 1 1 94 94 PRO HG2 H 1 2.036 0.020 . 2 . . . . 94 PRO HG2 . 17683 1 1089 . 1 1 94 94 PRO HG3 H 1 2.076 0.020 . 2 . . . . 94 PRO HG3 . 17683 1 1090 . 1 1 94 94 PRO HD2 H 1 3.701 0.020 . 2 . . . . 94 PRO HD2 . 17683 1 1091 . 1 1 94 94 PRO HD3 H 1 3.826 0.020 . 2 . . . . 94 PRO HD3 . 17683 1 1092 . 1 1 94 94 PRO C C 13 176.998 0.400 . 1 . . . . 94 PRO C . 17683 1 1093 . 1 1 94 94 PRO CA C 13 62.894 0.400 . 1 . . . . 94 PRO CA . 17683 1 1094 . 1 1 94 94 PRO CB C 13 32.003 0.400 . 1 . . . . 94 PRO CB . 17683 1 1095 . 1 1 94 94 PRO CG C 13 27.140 0.400 . 1 . . . . 94 PRO CG . 17683 1 1096 . 1 1 94 94 PRO CD C 13 50.547 0.400 . 1 . . . . 94 PRO CD . 17683 1 1097 . 1 1 95 95 GLU H H 1 8.659 0.020 . 1 . . . . 95 GLU H . 17683 1 1098 . 1 1 95 95 GLU HA H 1 4.253 0.020 . 1 . . . . 95 GLU HA . 17683 1 1099 . 1 1 95 95 GLU HB2 H 1 2.074 0.020 . 2 . . . . 95 GLU HB2 . 17683 1 1100 . 1 1 95 95 GLU HB3 H 1 1.967 0.020 . 2 . . . . 95 GLU HB3 . 17683 1 1101 . 1 1 95 95 GLU HG2 H 1 2.283 0.020 . 2 . . . . 95 GLU HG2 . 17683 1 1102 . 1 1 95 95 GLU HG3 H 1 2.337 0.020 . 2 . . . . 95 GLU HG3 . 17683 1 1103 . 1 1 95 95 GLU C C 13 176.337 0.400 . 1 . . . . 95 GLU C . 17683 1 1104 . 1 1 95 95 GLU CA C 13 57.205 0.400 . 1 . . . . 95 GLU CA . 17683 1 1105 . 1 1 95 95 GLU CB C 13 30.017 0.400 . 1 . . . . 95 GLU CB . 17683 1 1106 . 1 1 95 95 GLU CG C 13 36.010 0.400 . 1 . . . . 95 GLU CG . 17683 1 1107 . 1 1 95 95 GLU N N 15 121.342 0.400 . 1 . . . . 95 GLU N . 17683 1 1108 . 1 1 96 96 ARG H H 1 8.136 0.020 . 1 . . . . 96 ARG H . 17683 1 1109 . 1 1 96 96 ARG HA H 1 4.476 0.020 . 1 . . . . 96 ARG HA . 17683 1 1110 . 1 1 96 96 ARG HB2 H 1 1.838 0.020 . 2 . . . . 96 ARG HB2 . 17683 1 1111 . 1 1 96 96 ARG HB3 H 1 1.925 0.020 . 2 . . . . 96 ARG HB3 . 17683 1 1112 . 1 1 96 96 ARG HG2 H 1 1.693 0.020 . 1 . . . . 96 ARG HG2 . 17683 1 1113 . 1 1 96 96 ARG HG3 H 1 1.692 0.020 . 1 . . . . 96 ARG HG3 . 17683 1 1114 . 1 1 96 96 ARG HD2 H 1 3.171 0.020 . 1 . . . . 96 ARG HD2 . 17683 1 1115 . 1 1 96 96 ARG HD3 H 1 3.172 0.020 . 1 . . . . 96 ARG HD3 . 17683 1 1116 . 1 1 96 96 ARG HE H 1 7.328 0.020 . 1 . . . . 96 ARG HE . 17683 1 1117 . 1 1 96 96 ARG C C 13 175.134 0.400 . 1 . . . . 96 ARG C . 17683 1 1118 . 1 1 96 96 ARG CA C 13 55.352 0.400 . 1 . . . . 96 ARG CA . 17683 1 1119 . 1 1 96 96 ARG CB C 13 31.111 0.400 . 1 . . . . 96 ARG CB . 17683 1 1120 . 1 1 96 96 ARG CG C 13 26.601 0.400 . 1 . . . . 96 ARG CG . 17683 1 1121 . 1 1 96 96 ARG CD C 13 43.364 0.400 . 1 . . . . 96 ARG CD . 17683 1 1122 . 1 1 96 96 ARG N N 15 119.745 0.400 . 1 . . . . 96 ARG N . 17683 1 1123 . 1 1 96 96 ARG NE N 15 84.336 0.400 . 1 . . . . 96 ARG NE . 17683 1 1124 . 1 1 97 97 ASP H H 1 8.445 0.020 . 1 . . . . 97 ASP H . 17683 1 1125 . 1 1 97 97 ASP HA H 1 4.602 0.020 . 1 . . . . 97 ASP HA . 17683 1 1126 . 1 1 97 97 ASP HB2 H 1 2.850 0.020 . 2 . . . . 97 ASP HB2 . 17683 1 1127 . 1 1 97 97 ASP HB3 H 1 2.767 0.020 . 2 . . . . 97 ASP HB3 . 17683 1 1128 . 1 1 97 97 ASP C C 13 174.383 0.400 . 1 . . . . 97 ASP C . 17683 1 1129 . 1 1 97 97 ASP CA C 13 54.295 0.400 . 1 . . . . 97 ASP CA . 17683 1 1130 . 1 1 97 97 ASP CB C 13 41.420 0.400 . 1 . . . . 97 ASP CB . 17683 1 1131 . 1 1 97 97 ASP N N 15 121.784 0.400 . 1 . . . . 97 ASP N . 17683 1 1132 . 1 1 98 98 ASP H H 1 7.992 0.020 . 1 . . . . 98 ASP H . 17683 1 1133 . 1 1 98 98 ASP HA H 1 5.093 0.020 . 1 . . . . 98 ASP HA . 17683 1 1134 . 1 1 98 98 ASP HB2 H 1 2.779 0.020 . 2 . . . . 98 ASP HB2 . 17683 1 1135 . 1 1 98 98 ASP HB3 H 1 2.777 0.020 . 2 . . . . 98 ASP HB3 . 17683 1 1136 . 1 1 98 98 ASP C C 13 175.525 0.400 . 1 . . . . 98 ASP C . 17683 1 1137 . 1 1 98 98 ASP CA C 13 53.590 0.400 . 1 . . . . 98 ASP CA . 17683 1 1138 . 1 1 98 98 ASP CB C 13 42.852 0.400 . 1 . . . . 98 ASP CB . 17683 1 1139 . 1 1 98 98 ASP N N 15 120.991 0.400 . 1 . . . . 98 ASP N . 17683 1 1140 . 1 1 99 99 THR H H 1 8.581 0.020 . 1 . . . . 99 THR H . 17683 1 1141 . 1 1 99 99 THR HA H 1 4.241 0.020 . 1 . . . . 99 THR HA . 17683 1 1142 . 1 1 99 99 THR HB H 1 3.621 0.020 . 1 . . . . 99 THR HB . 17683 1 1143 . 1 1 99 99 THR HG21 H 1 0.580 0.020 . 1 . . . . 99 THR HG21 . 17683 1 1144 . 1 1 99 99 THR HG22 H 1 0.580 0.020 . 1 . . . . 99 THR HG22 . 17683 1 1145 . 1 1 99 99 THR HG23 H 1 0.580 0.020 . 1 . . . . 99 THR HG23 . 17683 1 1146 . 1 1 99 99 THR C C 13 170.326 0.400 . 1 . . . . 99 THR C . 17683 1 1147 . 1 1 99 99 THR CA C 13 61.723 0.400 . 1 . . . . 99 THR CA . 17683 1 1148 . 1 1 99 99 THR CB C 13 69.838 0.400 . 1 . . . . 99 THR CB . 17683 1 1149 . 1 1 99 99 THR CG2 C 13 22.159 0.400 . 1 . . . . 99 THR CG2 . 17683 1 1150 . 1 1 99 99 THR N N 15 123.427 0.400 . 1 . . . . 99 THR N . 17683 1 1151 . 1 1 100 100 GLU H H 1 8.604 0.020 . 1 . . . . 100 GLU H . 17683 1 1152 . 1 1 100 100 GLU HA H 1 4.783 0.020 . 1 . . . . 100 GLU HA . 17683 1 1153 . 1 1 100 100 GLU HB2 H 1 1.051 0.020 . 2 . . . . 100 GLU HB2 . 17683 1 1154 . 1 1 100 100 GLU HB3 H 1 1.753 0.020 . 2 . . . . 100 GLU HB3 . 17683 1 1155 . 1 1 100 100 GLU HG2 H 1 1.265 0.020 . 2 . . . . 100 GLU HG2 . 17683 1 1156 . 1 1 100 100 GLU HG3 H 1 1.582 0.020 . 2 . . . . 100 GLU HG3 . 17683 1 1157 . 1 1 100 100 GLU C C 13 173.301 0.400 . 1 . . . . 100 GLU C . 17683 1 1158 . 1 1 100 100 GLU CA C 13 52.795 0.400 . 1 . . . . 100 GLU CA . 17683 1 1159 . 1 1 100 100 GLU CB C 13 32.974 0.400 . 1 . . . . 100 GLU CB . 17683 1 1160 . 1 1 100 100 GLU CG C 13 34.829 0.400 . 1 . . . . 100 GLU CG . 17683 1 1161 . 1 1 100 100 GLU N N 15 129.229 0.400 . 1 . . . . 100 GLU N . 17683 1 1162 . 1 1 101 101 PHE H H 1 8.363 0.020 . 1 . . . . 101 PHE H . 17683 1 1163 . 1 1 101 101 PHE HA H 1 5.393 0.020 . 1 . . . . 101 PHE HA . 17683 1 1164 . 1 1 101 101 PHE HB2 H 1 2.382 0.020 . 2 . . . . 101 PHE HB2 . 17683 1 1165 . 1 1 101 101 PHE HB3 H 1 1.286 0.020 . 2 . . . . 101 PHE HB3 . 17683 1 1166 . 1 1 101 101 PHE HD1 H 1 6.455 0.020 . 1 . . . . 101 PHE HD1 . 17683 1 1167 . 1 1 101 101 PHE HD2 H 1 6.455 0.020 . 1 . . . . 101 PHE HD2 . 17683 1 1168 . 1 1 101 101 PHE HE1 H 1 6.885 0.020 . 1 . . . . 101 PHE HE1 . 17683 1 1169 . 1 1 101 101 PHE HE2 H 1 6.885 0.020 . 1 . . . . 101 PHE HE2 . 17683 1 1170 . 1 1 101 101 PHE HZ H 1 6.954 0.020 . 1 . . . . 101 PHE HZ . 17683 1 1171 . 1 1 101 101 PHE C C 13 174.804 0.400 . 1 . . . . 101 PHE C . 17683 1 1172 . 1 1 101 101 PHE CA C 13 55.882 0.400 . 1 . . . . 101 PHE CA . 17683 1 1173 . 1 1 101 101 PHE CB C 13 44.143 0.400 . 1 . . . . 101 PHE CB . 17683 1 1174 . 1 1 101 101 PHE CD1 C 13 131.737 0.400 . 1 . . . . 101 PHE CD1 . 17683 1 1175 . 1 1 101 101 PHE CD2 C 13 131.832 0.400 . 1 . . . . 101 PHE CD2 . 17683 1 1176 . 1 1 101 101 PHE CE1 C 13 130.308 0.400 . 1 . . . . 101 PHE CE1 . 17683 1 1177 . 1 1 101 101 PHE CE2 C 13 130.084 0.400 . 1 . . . . 101 PHE CE2 . 17683 1 1178 . 1 1 101 101 PHE CZ C 13 129.294 0.400 . 1 . . . . 101 PHE CZ . 17683 1 1179 . 1 1 101 101 PHE N N 15 122.583 0.400 . 1 . . . . 101 PHE N . 17683 1 1180 . 1 1 102 102 GLN H H 1 8.945 0.020 . 1 . . . . 102 GLN H . 17683 1 1181 . 1 1 102 102 GLN HA H 1 5.440 0.020 . 1 . . . . 102 GLN HA . 17683 1 1182 . 1 1 102 102 GLN HB2 H 1 1.943 0.020 . 2 . . . . 102 GLN HB2 . 17683 1 1183 . 1 1 102 102 GLN HB3 H 1 1.992 0.020 . 2 . . . . 102 GLN HB3 . 17683 1 1184 . 1 1 102 102 GLN HG2 H 1 2.486 0.020 . 2 . . . . 102 GLN HG2 . 17683 1 1185 . 1 1 102 102 GLN HG3 H 1 2.280 0.020 . 2 . . . . 102 GLN HG3 . 17683 1 1186 . 1 1 102 102 GLN HE21 H 1 7.223 0.020 . 2 . . . . 102 GLN HE21 . 17683 1 1187 . 1 1 102 102 GLN HE22 H 1 6.672 0.020 . 2 . . . . 102 GLN HE22 . 17683 1 1188 . 1 1 102 102 GLN C C 13 174.052 0.400 . 1 . . . . 102 GLN C . 17683 1 1189 . 1 1 102 102 GLN CA C 13 54.603 0.400 . 1 . . . . 102 GLN CA . 17683 1 1190 . 1 1 102 102 GLN CB C 13 32.742 0.400 . 1 . . . . 102 GLN CB . 17683 1 1191 . 1 1 102 102 GLN CG C 13 32.820 0.400 . 1 . . . . 102 GLN CG . 17683 1 1192 . 1 1 102 102 GLN N N 15 116.182 0.400 . 1 . . . . 102 GLN N . 17683 1 1193 . 1 1 102 102 GLN NE2 N 15 108.779 0.400 . 1 . . . . 102 GLN NE2 . 17683 1 1194 . 1 1 103 103 HIS H H 1 10.118 0.020 . 1 . . . . 103 HIS H . 17683 1 1195 . 1 1 103 103 HIS HA H 1 4.595 0.020 . 1 . . . . 103 HIS HA . 17683 1 1196 . 1 1 103 103 HIS HB2 H 1 2.385 0.020 . 2 . . . . 103 HIS HB2 . 17683 1 1197 . 1 1 103 103 HIS HB3 H 1 1.517 0.020 . 2 . . . . 103 HIS HB3 . 17683 1 1198 . 1 1 103 103 HIS HD2 H 1 6.402 0.020 . 1 . . . . 103 HIS HD2 . 17683 1 1199 . 1 1 103 103 HIS HE1 H 1 7.685 0.020 . 1 . . . . 103 HIS HE1 . 17683 1 1200 . 1 1 103 103 HIS CA C 13 55.382 0.400 . 1 . . . . 103 HIS CA . 17683 1 1201 . 1 1 103 103 HIS CB C 13 34.518 0.400 . 1 . . . . 103 HIS CB . 17683 1 1202 . 1 1 103 103 HIS CD2 C 13 118.369 0.400 . 1 . . . . 103 HIS CD2 . 17683 1 1203 . 1 1 103 103 HIS CE1 C 13 137.382 0.400 . 1 . . . . 103 HIS CE1 . 17683 1 1204 . 1 1 103 103 HIS N N 15 127.562 0.400 . 1 . . . . 103 HIS N . 17683 1 1205 . 1 1 104 104 PRO HA H 1 4.458 0.020 . 1 . . . . 104 PRO HA . 17683 1 1206 . 1 1 104 104 PRO HB2 H 1 2.066 0.020 . 2 . . . . 104 PRO HB2 . 17683 1 1207 . 1 1 104 104 PRO HB3 H 1 2.398 0.020 . 2 . . . . 104 PRO HB3 . 17683 1 1208 . 1 1 104 104 PRO HG2 H 1 1.854 0.020 . 2 . . . . 104 PRO HG2 . 17683 1 1209 . 1 1 104 104 PRO HG3 H 1 1.908 0.020 . 2 . . . . 104 PRO HG3 . 17683 1 1210 . 1 1 104 104 PRO HD2 H 1 3.419 0.020 . 2 . . . . 104 PRO HD2 . 17683 1 1211 . 1 1 104 104 PRO HD3 H 1 2.451 0.020 . 2 . . . . 104 PRO HD3 . 17683 1 1212 . 1 1 104 104 PRO C C 13 177.509 0.400 . 1 . . . . 104 PRO C . 17683 1 1213 . 1 1 104 104 PRO CA C 13 64.890 0.400 . 1 . . . . 104 PRO CA . 17683 1 1214 . 1 1 104 104 PRO CB C 13 32.625 0.400 . 1 . . . . 104 PRO CB . 17683 1 1215 . 1 1 104 104 PRO CG C 13 27.140 0.400 . 1 . . . . 104 PRO CG . 17683 1 1216 . 1 1 104 104 PRO CD C 13 50.913 0.400 . 1 . . . . 104 PRO CD . 17683 1 1217 . 1 1 105 105 CYS H H 1 11.462 0.020 . 1 . . . . 105 CYS H . 17683 1 1218 . 1 1 105 105 CYS HA H 1 4.656 0.020 . 1 . . . . 105 CYS HA . 17683 1 1219 . 1 1 105 105 CYS HB2 H 1 2.533 0.020 . 2 . . . . 105 CYS HB2 . 17683 1 1220 . 1 1 105 105 CYS HB3 H 1 3.604 0.020 . 2 . . . . 105 CYS HB3 . 17683 1 1221 . 1 1 105 105 CYS C C 13 171.919 0.400 . 1 . . . . 105 CYS C . 17683 1 1222 . 1 1 105 105 CYS CA C 13 58.328 0.400 . 1 . . . . 105 CYS CA . 17683 1 1223 . 1 1 105 105 CYS CB C 13 28.250 0.400 . 1 . . . . 105 CYS CB . 17683 1 1224 . 1 1 105 105 CYS N N 15 117.508 0.400 . 1 . . . . 105 CYS N . 17683 1 1225 . 1 1 106 106 PHE H H 1 8.281 0.020 . 1 . . . . 106 PHE H . 17683 1 1226 . 1 1 106 106 PHE HA H 1 4.943 0.020 . 1 . . . . 106 PHE HA . 17683 1 1227 . 1 1 106 106 PHE HB2 H 1 2.433 0.020 . 2 . . . . 106 PHE HB2 . 17683 1 1228 . 1 1 106 106 PHE HB3 H 1 3.853 0.020 . 2 . . . . 106 PHE HB3 . 17683 1 1229 . 1 1 106 106 PHE HD1 H 1 7.545 0.020 . 1 . . . . 106 PHE HD1 . 17683 1 1230 . 1 1 106 106 PHE HD2 H 1 7.545 0.020 . 1 . . . . 106 PHE HD2 . 17683 1 1231 . 1 1 106 106 PHE C C 13 171.648 0.400 . 1 . . . . 106 PHE C . 17683 1 1232 . 1 1 106 106 PHE CA C 13 56.687 0.400 . 1 . . . . 106 PHE CA . 17683 1 1233 . 1 1 106 106 PHE CB C 13 42.468 0.400 . 1 . . . . 106 PHE CB . 17683 1 1234 . 1 1 106 106 PHE CD1 C 13 132.785 0.400 . 1 . . . . 106 PHE CD1 . 17683 1 1235 . 1 1 106 106 PHE CD2 C 13 132.796 0.400 . 1 . . . . 106 PHE CD2 . 17683 1 1236 . 1 1 106 106 PHE N N 15 126.227 0.400 . 1 . . . . 106 PHE N . 17683 1 1237 . 1 1 107 107 LEU H H 1 9.542 0.020 . 1 . . . . 107 LEU H . 17683 1 1238 . 1 1 107 107 LEU HA H 1 4.992 0.020 . 1 . . . . 107 LEU HA . 17683 1 1239 . 1 1 107 107 LEU HB2 H 1 1.373 0.020 . 2 . . . . 107 LEU HB2 . 17683 1 1240 . 1 1 107 107 LEU HB3 H 1 1.404 0.020 . 2 . . . . 107 LEU HB3 . 17683 1 1241 . 1 1 107 107 LEU HG H 1 1.455 0.020 . 1 . . . . 107 LEU HG . 17683 1 1242 . 1 1 107 107 LEU HD11 H 1 0.868 0.020 . 2 . . . . 107 LEU HD11 . 17683 1 1243 . 1 1 107 107 LEU HD12 H 1 0.868 0.020 . 2 . . . . 107 LEU HD12 . 17683 1 1244 . 1 1 107 107 LEU HD13 H 1 0.868 0.020 . 2 . . . . 107 LEU HD13 . 17683 1 1245 . 1 1 107 107 LEU HD21 H 1 1.093 0.020 . 2 . . . . 107 LEU HD21 . 17683 1 1246 . 1 1 107 107 LEU HD22 H 1 1.093 0.020 . 2 . . . . 107 LEU HD22 . 17683 1 1247 . 1 1 107 107 LEU HD23 H 1 1.093 0.020 . 2 . . . . 107 LEU HD23 . 17683 1 1248 . 1 1 107 107 LEU C C 13 176.970 0.400 . 1 . . . . 107 LEU C . 17683 1 1249 . 1 1 107 107 LEU CA C 13 53.406 0.400 . 1 . . . . 107 LEU CA . 17683 1 1250 . 1 1 107 107 LEU CB C 13 47.013 0.400 . 1 . . . . 107 LEU CB . 17683 1 1251 . 1 1 107 107 LEU CG C 13 26.770 0.400 . 1 . . . . 107 LEU CG . 17683 1 1252 . 1 1 107 107 LEU CD1 C 13 25.622 0.400 . 1 . . . . 107 LEU CD1 . 17683 1 1253 . 1 1 107 107 LEU CD2 C 13 24.100 0.400 . 1 . . . . 107 LEU CD2 . 17683 1 1254 . 1 1 107 107 LEU N N 15 123.183 0.400 . 1 . . . . 107 LEU N . 17683 1 1255 . 1 1 108 108 ARG H H 1 7.220 0.020 . 1 . . . . 108 ARG H . 17683 1 1256 . 1 1 108 108 ARG HA H 1 2.642 0.020 . 1 . . . . 108 ARG HA . 17683 1 1257 . 1 1 108 108 ARG HB2 H 1 -0.409 0.020 . 2 . . . . 108 ARG HB2 . 17683 1 1258 . 1 1 108 108 ARG HB3 H 1 1.131 0.020 . 2 . . . . 108 ARG HB3 . 17683 1 1259 . 1 1 108 108 ARG CA C 13 57.415 0.400 . 1 . . . . 108 ARG CA . 17683 1 1260 . 1 1 108 108 ARG CB C 13 29.890 0.400 . 1 . . . . 108 ARG CB . 17683 1 1261 . 1 1 108 108 ARG CG C 13 26.089 0.400 . 1 . . . . 108 ARG CG . 17683 1 1262 . 1 1 108 108 ARG CD C 13 43.664 0.400 . 1 . . . . 108 ARG CD . 17683 1 1263 . 1 1 108 108 ARG N N 15 125.016 0.400 . 1 . . . . 108 ARG N . 17683 1 1264 . 1 1 110 110 GLN HA H 1 5.083 0.020 . 1 . . . . 110 GLN HA . 17683 1 1265 . 1 1 110 110 GLN HB2 H 1 2.184 0.020 . 2 . . . . 110 GLN HB2 . 17683 1 1266 . 1 1 110 110 GLN HB3 H 1 1.745 0.020 . 2 . . . . 110 GLN HB3 . 17683 1 1267 . 1 1 110 110 GLN HG2 H 1 2.160 0.020 . 2 . . . . 110 GLN HG2 . 17683 1 1268 . 1 1 110 110 GLN HG3 H 1 2.203 0.020 . 2 . . . . 110 GLN HG3 . 17683 1 1269 . 1 1 110 110 GLN HE21 H 1 7.418 0.020 . 2 . . . . 110 GLN HE21 . 17683 1 1270 . 1 1 110 110 GLN HE22 H 1 6.732 0.020 . 2 . . . . 110 GLN HE22 . 17683 1 1271 . 1 1 110 110 GLN C C 13 176.757 0.400 . 1 . . . . 110 GLN C . 17683 1 1272 . 1 1 110 110 GLN CA C 13 53.021 0.400 . 1 . . . . 110 GLN CA . 17683 1 1273 . 1 1 110 110 GLN CB C 13 28.461 0.400 . 1 . . . . 110 GLN CB . 17683 1 1274 . 1 1 110 110 GLN CG C 13 32.553 0.400 . 1 . . . . 110 GLN CG . 17683 1 1275 . 1 1 110 110 GLN NE2 N 15 112.072 0.400 . 1 . . . . 110 GLN NE2 . 17683 1 1276 . 1 1 111 111 GLU H H 1 8.879 0.020 . 1 . . . . 111 GLU H . 17683 1 1277 . 1 1 111 111 GLU HA H 1 2.492 0.020 . 1 . . . . 111 GLU HA . 17683 1 1278 . 1 1 111 111 GLU HG2 H 1 1.686 0.020 . 2 . . . . 111 GLU HG2 . 17683 1 1279 . 1 1 111 111 GLU HG3 H 1 1.085 0.020 . 2 . . . . 111 GLU HG3 . 17683 1 1280 . 1 1 111 111 GLU C C 13 177.839 0.400 . 1 . . . . 111 GLU C . 17683 1 1281 . 1 1 111 111 GLU CA C 13 58.922 0.400 . 1 . . . . 111 GLU CA . 17683 1 1282 . 1 1 111 111 GLU CB C 13 28.348 0.400 . 1 . . . . 111 GLU CB . 17683 1 1283 . 1 1 111 111 GLU CG C 13 35.169 0.400 . 1 . . . . 111 GLU CG . 17683 1 1284 . 1 1 111 111 GLU N N 15 126.825 0.400 . 1 . . . . 111 GLU N . 17683 1 1285 . 1 1 112 112 GLN H H 1 8.920 0.020 . 1 . . . . 112 GLN H . 17683 1 1286 . 1 1 112 112 GLN HA H 1 3.956 0.020 . 1 . . . . 112 GLN HA . 17683 1 1287 . 1 1 112 112 GLN HB2 H 1 2.003 0.020 . 1 . . . . 112 GLN HB2 . 17683 1 1288 . 1 1 112 112 GLN HB3 H 1 2.004 0.020 . 1 . . . . 112 GLN HB3 . 17683 1 1289 . 1 1 112 112 GLN HG2 H 1 2.238 0.020 . 2 . . . . 112 GLN HG2 . 17683 1 1290 . 1 1 112 112 GLN HG3 H 1 2.469 0.020 . 2 . . . . 112 GLN HG3 . 17683 1 1291 . 1 1 112 112 GLN HE21 H 1 7.576 0.020 . 2 . . . . 112 GLN HE21 . 17683 1 1292 . 1 1 112 112 GLN HE22 H 1 7.027 0.020 . 2 . . . . 112 GLN HE22 . 17683 1 1293 . 1 1 112 112 GLN C C 13 177.449 0.400 . 1 . . . . 112 GLN C . 17683 1 1294 . 1 1 112 112 GLN CA C 13 57.918 0.400 . 1 . . . . 112 GLN CA . 17683 1 1295 . 1 1 112 112 GLN CB C 13 26.466 0.400 . 1 . . . . 112 GLN CB . 17683 1 1296 . 1 1 112 112 GLN CG C 13 33.041 0.400 . 1 . . . . 112 GLN CG . 17683 1 1297 . 1 1 112 112 GLN N N 15 118.103 0.400 . 1 . . . . 112 GLN N . 17683 1 1298 . 1 1 112 112 GLN NE2 N 15 111.575 0.400 . 1 . . . . 112 GLN NE2 . 17683 1 1299 . 1 1 113 113 LEU H H 1 7.311 0.020 . 1 . . . . 113 LEU H . 17683 1 1300 . 1 1 113 113 LEU HA H 1 4.159 0.020 . 1 . . . . 113 LEU HA . 17683 1 1301 . 1 1 113 113 LEU HB2 H 1 1.809 0.020 . 2 . . . . 113 LEU HB2 . 17683 1 1302 . 1 1 113 113 LEU HB3 H 1 1.735 0.020 . 2 . . . . 113 LEU HB3 . 17683 1 1303 . 1 1 113 113 LEU HG H 1 1.725 0.020 . 1 . . . . 113 LEU HG . 17683 1 1304 . 1 1 113 113 LEU HD11 H 1 0.989 0.020 . 2 . . . . 113 LEU HD11 . 17683 1 1305 . 1 1 113 113 LEU HD12 H 1 0.989 0.020 . 2 . . . . 113 LEU HD12 . 17683 1 1306 . 1 1 113 113 LEU HD13 H 1 0.989 0.020 . 2 . . . . 113 LEU HD13 . 17683 1 1307 . 1 1 113 113 LEU HD21 H 1 0.907 0.020 . 2 . . . . 113 LEU HD21 . 17683 1 1308 . 1 1 113 113 LEU HD22 H 1 0.907 0.020 . 2 . . . . 113 LEU HD22 . 17683 1 1309 . 1 1 113 113 LEU HD23 H 1 0.907 0.020 . 2 . . . . 113 LEU HD23 . 17683 1 1310 . 1 1 113 113 LEU C C 13 178.110 0.400 . 1 . . . . 113 LEU C . 17683 1 1311 . 1 1 113 113 LEU CA C 13 55.809 0.400 . 1 . . . . 113 LEU CA . 17683 1 1312 . 1 1 113 113 LEU CB C 13 42.088 0.400 . 1 . . . . 113 LEU CB . 17683 1 1313 . 1 1 113 113 LEU CG C 13 26.882 0.400 . 1 . . . . 113 LEU CG . 17683 1 1314 . 1 1 113 113 LEU CD1 C 13 26.110 0.400 . 1 . . . . 113 LEU CD1 . 17683 1 1315 . 1 1 113 113 LEU CD2 C 13 22.448 0.400 . 1 . . . . 113 LEU CD2 . 17683 1 1316 . 1 1 113 113 LEU N N 15 117.706 0.400 . 1 . . . . 113 LEU N . 17683 1 1317 . 1 1 114 114 LEU H H 1 7.565 0.020 . 1 . . . . 114 LEU H . 17683 1 1318 . 1 1 114 114 LEU HA H 1 3.962 0.020 . 1 . . . . 114 LEU HA . 17683 1 1319 . 1 1 114 114 LEU HB2 H 1 1.315 0.020 . 2 . . . . 114 LEU HB2 . 17683 1 1320 . 1 1 114 114 LEU HB3 H 1 1.848 0.020 . 2 . . . . 114 LEU HB3 . 17683 1 1321 . 1 1 114 114 LEU HG H 1 1.835 0.020 . 1 . . . . 114 LEU HG . 17683 1 1322 . 1 1 114 114 LEU HD11 H 1 0.596 0.020 . 2 . . . . 114 LEU HD11 . 17683 1 1323 . 1 1 114 114 LEU HD12 H 1 0.596 0.020 . 2 . . . . 114 LEU HD12 . 17683 1 1324 . 1 1 114 114 LEU HD13 H 1 0.596 0.020 . 2 . . . . 114 LEU HD13 . 17683 1 1325 . 1 1 114 114 LEU HD21 H 1 1.078 0.020 . 2 . . . . 114 LEU HD21 . 17683 1 1326 . 1 1 114 114 LEU HD22 H 1 1.078 0.020 . 2 . . . . 114 LEU HD22 . 17683 1 1327 . 1 1 114 114 LEU HD23 H 1 1.078 0.020 . 2 . . . . 114 LEU HD23 . 17683 1 1328 . 1 1 114 114 LEU C C 13 179.011 0.400 . 1 . . . . 114 LEU C . 17683 1 1329 . 1 1 114 114 LEU CA C 13 57.286 0.400 . 1 . . . . 114 LEU CA . 17683 1 1330 . 1 1 114 114 LEU CB C 13 42.321 0.400 . 1 . . . . 114 LEU CB . 17683 1 1331 . 1 1 114 114 LEU CG C 13 26.359 0.400 . 1 . . . . 114 LEU CG . 17683 1 1332 . 1 1 114 114 LEU CD1 C 13 25.277 0.400 . 1 . . . . 114 LEU CD1 . 17683 1 1333 . 1 1 114 114 LEU CD2 C 13 24.588 0.400 . 1 . . . . 114 LEU CD2 . 17683 1 1334 . 1 1 114 114 LEU N N 15 117.066 0.400 . 1 . . . . 114 LEU N . 17683 1 1335 . 1 1 115 115 GLU H H 1 7.434 0.020 . 1 . . . . 115 GLU H . 17683 1 1336 . 1 1 115 115 GLU HA H 1 4.002 0.020 . 1 . . . . 115 GLU HA . 17683 1 1337 . 1 1 115 115 GLU HB2 H 1 2.022 0.020 . 1 . . . . 115 GLU HB2 . 17683 1 1338 . 1 1 115 115 GLU HB3 H 1 2.022 0.020 . 1 . . . . 115 GLU HB3 . 17683 1 1339 . 1 1 115 115 GLU HG2 H 1 2.234 0.020 . 2 . . . . 115 GLU HG2 . 17683 1 1340 . 1 1 115 115 GLU HG3 H 1 2.321 0.020 . 2 . . . . 115 GLU HG3 . 17683 1 1341 . 1 1 115 115 GLU C C 13 175.705 0.400 . 1 . . . . 115 GLU C . 17683 1 1342 . 1 1 115 115 GLU CA C 13 57.884 0.400 . 1 . . . . 115 GLU CA . 17683 1 1343 . 1 1 115 115 GLU CB C 13 29.296 0.400 . 1 . . . . 115 GLU CB . 17683 1 1344 . 1 1 115 115 GLU CG C 13 35.347 0.400 . 1 . . . . 115 GLU CG . 17683 1 1345 . 1 1 115 115 GLU N N 15 114.502 0.400 . 1 . . . . 115 GLU N . 17683 1 1346 . 1 1 116 116 ASN H H 1 7.891 0.020 . 1 . . . . 116 ASN H . 17683 1 1347 . 1 1 116 116 ASN HA H 1 4.739 0.020 . 1 . . . . 116 ASN HA . 17683 1 1348 . 1 1 116 116 ASN HB2 H 1 3.040 0.020 . 2 . . . . 116 ASN HB2 . 17683 1 1349 . 1 1 116 116 ASN HB3 H 1 3.169 0.020 . 2 . . . . 116 ASN HB3 . 17683 1 1350 . 1 1 116 116 ASN HD21 H 1 7.317 0.020 . 2 . . . . 116 ASN HD21 . 17683 1 1351 . 1 1 116 116 ASN HD22 H 1 7.032 0.020 . 2 . . . . 116 ASN HD22 . 17683 1 1352 . 1 1 116 116 ASN C C 13 175.160 0.400 . 1 . . . . 116 ASN C . 17683 1 1353 . 1 1 116 116 ASN CA C 13 53.271 0.400 . 1 . . . . 116 ASN CA . 17683 1 1354 . 1 1 116 116 ASN CB C 13 39.858 0.400 . 1 . . . . 116 ASN CB . 17683 1 1355 . 1 1 116 116 ASN N N 15 115.327 0.400 . 1 . . . . 116 ASN N . 17683 1 1356 . 1 1 116 116 ASN ND2 N 15 112.167 0.400 . 1 . . . . 116 ASN ND2 . 17683 1 1357 . 1 1 117 117 ILE H H 1 7.453 0.020 . 1 . . . . 117 ILE H . 17683 1 1358 . 1 1 117 117 ILE HA H 1 3.857 0.020 . 1 . . . . 117 ILE HA . 17683 1 1359 . 1 1 117 117 ILE HB H 1 1.922 0.020 . 1 . . . . 117 ILE HB . 17683 1 1360 . 1 1 117 117 ILE HG12 H 1 1.588 0.020 . 2 . . . . 117 ILE HG12 . 17683 1 1361 . 1 1 117 117 ILE HG13 H 1 0.097 0.020 . 2 . . . . 117 ILE HG13 . 17683 1 1362 . 1 1 117 117 ILE HG21 H 1 0.830 0.020 . 1 . . . . 117 ILE HG21 . 17683 1 1363 . 1 1 117 117 ILE HG22 H 1 0.830 0.020 . 1 . . . . 117 ILE HG22 . 17683 1 1364 . 1 1 117 117 ILE HG23 H 1 0.830 0.020 . 1 . . . . 117 ILE HG23 . 17683 1 1365 . 1 1 117 117 ILE HD11 H 1 0.608 0.020 . 1 . . . . 117 ILE HD11 . 17683 1 1366 . 1 1 117 117 ILE HD12 H 1 0.608 0.020 . 1 . . . . 117 ILE HD12 . 17683 1 1367 . 1 1 117 117 ILE HD13 H 1 0.608 0.020 . 1 . . . . 117 ILE HD13 . 17683 1 1368 . 1 1 117 117 ILE C C 13 174.323 0.400 . 1 . . . . 117 ILE C . 17683 1 1369 . 1 1 117 117 ILE CA C 13 63.608 0.400 . 1 . . . . 117 ILE CA . 17683 1 1370 . 1 1 117 117 ILE CB C 13 36.179 0.400 . 1 . . . . 117 ILE CB . 17683 1 1371 . 1 1 117 117 ILE CG1 C 13 28.333 0.400 . 1 . . . . 117 ILE CG1 . 17683 1 1372 . 1 1 117 117 ILE CG2 C 13 17.871 0.400 . 1 . . . . 117 ILE CG2 . 17683 1 1373 . 1 1 117 117 ILE CD1 C 13 13.995 0.400 . 1 . . . . 117 ILE CD1 . 17683 1 1374 . 1 1 117 117 ILE N N 15 121.603 0.400 . 1 . . . . 117 ILE N . 17683 1 1375 . 1 1 118 118 LYS H H 1 8.434 0.020 . 1 . . . . 118 LYS H . 17683 1 1376 . 1 1 118 118 LYS HA H 1 4.776 0.020 . 1 . . . . 118 LYS HA . 17683 1 1377 . 1 1 118 118 LYS HB2 H 1 1.778 0.020 . 2 . . . . 118 LYS HB2 . 17683 1 1378 . 1 1 118 118 LYS HB3 H 1 1.935 0.020 . 2 . . . . 118 LYS HB3 . 17683 1 1379 . 1 1 118 118 LYS HG2 H 1 1.513 0.020 . 2 . . . . 118 LYS HG2 . 17683 1 1380 . 1 1 118 118 LYS HG3 H 1 1.457 0.020 . 2 . . . . 118 LYS HG3 . 17683 1 1381 . 1 1 118 118 LYS HD2 H 1 1.709 0.020 . 1 . . . . 118 LYS HD2 . 17683 1 1382 . 1 1 118 118 LYS HD3 H 1 1.709 0.020 . 1 . . . . 118 LYS HD3 . 17683 1 1383 . 1 1 118 118 LYS HE2 H 1 3.051 0.020 . 2 . . . . 118 LYS HE2 . 17683 1 1384 . 1 1 118 118 LYS HE3 H 1 3.053 0.020 . 2 . . . . 118 LYS HE3 . 17683 1 1385 . 1 1 118 118 LYS C C 13 175.826 0.400 . 1 . . . . 118 LYS C . 17683 1 1386 . 1 1 118 118 LYS CA C 13 53.896 0.400 . 1 . . . . 118 LYS CA . 17683 1 1387 . 1 1 118 118 LYS CB C 13 34.480 0.400 . 1 . . . . 118 LYS CB . 17683 1 1388 . 1 1 118 118 LYS CG C 13 24.231 0.400 . 1 . . . . 118 LYS CG . 17683 1 1389 . 1 1 118 118 LYS CD C 13 28.416 0.400 . 1 . . . . 118 LYS CD . 17683 1 1390 . 1 1 118 118 LYS CE C 13 42.254 0.400 . 1 . . . . 118 LYS CE . 17683 1 1391 . 1 1 118 118 LYS N N 15 126.655 0.400 . 1 . . . . 118 LYS N . 17683 1 1392 . 1 1 119 119 ARG H H 1 8.576 0.020 . 1 . . . . 119 ARG H . 17683 1 1393 . 1 1 119 119 ARG HA H 1 4.208 0.020 . 1 . . . . 119 ARG HA . 17683 1 1394 . 1 1 119 119 ARG HB2 H 1 1.673 0.020 . 2 . . . . 119 ARG HB2 . 17683 1 1395 . 1 1 119 119 ARG HB3 H 1 1.620 0.020 . 2 . . . . 119 ARG HB3 . 17683 1 1396 . 1 1 119 119 ARG HG2 H 1 1.401 0.020 . 2 . . . . 119 ARG HG2 . 17683 1 1397 . 1 1 119 119 ARG HG3 H 1 1.314 0.020 . 2 . . . . 119 ARG HG3 . 17683 1 1398 . 1 1 119 119 ARG HD2 H 1 3.051 0.020 . 1 . . . . 119 ARG HD2 . 17683 1 1399 . 1 1 119 119 ARG HD3 H 1 3.051 0.020 . 1 . . . . 119 ARG HD3 . 17683 1 1400 . 1 1 119 119 ARG C C 13 176.276 0.400 . 1 . . . . 119 ARG C . 17683 1 1401 . 1 1 119 119 ARG CA C 13 56.036 0.400 . 1 . . . . 119 ARG CA . 17683 1 1402 . 1 1 119 119 ARG CB C 13 30.797 0.400 . 1 . . . . 119 ARG CB . 17683 1 1403 . 1 1 119 119 ARG CG C 13 27.310 0.400 . 1 . . . . 119 ARG CG . 17683 1 1404 . 1 1 119 119 ARG CD C 13 43.259 0.400 . 1 . . . . 119 ARG CD . 17683 1 1405 . 1 1 119 119 ARG N N 15 121.431 0.400 . 1 . . . . 119 ARG N . 17683 1 1406 . 1 1 120 120 LYS H H 1 8.526 0.020 . 1 . . . . 120 LYS H . 17683 1 1407 . 1 1 120 120 LYS HA H 1 4.334 0.020 . 1 . . . . 120 LYS HA . 17683 1 1408 . 1 1 120 120 LYS HB2 H 1 1.811 0.020 . 2 . . . . 120 LYS HB2 . 17683 1 1409 . 1 1 120 120 LYS HB3 H 1 1.759 0.020 . 2 . . . . 120 LYS HB3 . 17683 1 1410 . 1 1 120 120 LYS HG2 H 1 1.490 0.020 . 2 . . . . 120 LYS HG2 . 17683 1 1411 . 1 1 120 120 LYS HG3 H 1 1.412 0.020 . 2 . . . . 120 LYS HG3 . 17683 1 1412 . 1 1 120 120 LYS HD2 H 1 1.709 0.020 . 1 . . . . 120 LYS HD2 . 17683 1 1413 . 1 1 120 120 LYS HD3 H 1 1.709 0.020 . 1 . . . . 120 LYS HD3 . 17683 1 1414 . 1 1 120 120 LYS HE2 H 1 3.008 0.020 . 2 . . . . 120 LYS HE2 . 17683 1 1415 . 1 1 120 120 LYS HE3 H 1 3.013 0.020 . 2 . . . . 120 LYS HE3 . 17683 1 1416 . 1 1 120 120 LYS C C 13 176.006 0.400 . 1 . . . . 120 LYS C . 17683 1 1417 . 1 1 120 120 LYS CA C 13 56.384 0.400 . 1 . . . . 120 LYS CA . 17683 1 1418 . 1 1 120 120 LYS CB C 13 33.044 0.400 . 1 . . . . 120 LYS CB . 17683 1 1419 . 1 1 120 120 LYS CG C 13 24.588 0.400 . 1 . . . . 120 LYS CG . 17683 1 1420 . 1 1 120 120 LYS CD C 13 28.780 0.400 . 1 . . . . 120 LYS CD . 17683 1 1421 . 1 1 120 120 LYS CE C 13 41.898 0.400 . 1 . . . . 120 LYS CE . 17683 1 1422 . 1 1 120 120 LYS N N 15 125.409 0.400 . 1 . . . . 120 LYS N . 17683 1 1423 . 1 1 121 121 VAL H H 1 8.281 0.020 . 1 . . . . 121 VAL H . 17683 1 1424 . 1 1 121 121 VAL HA H 1 4.180 0.020 . 1 . . . . 121 VAL HA . 17683 1 1425 . 1 1 121 121 VAL HB H 1 2.085 0.020 . 1 . . . . 121 VAL HB . 17683 1 1426 . 1 1 121 121 VAL HG11 H 1 0.941 0.020 . 1 . . . . 121 VAL HG11 . 17683 1 1427 . 1 1 121 121 VAL HG12 H 1 0.941 0.020 . 1 . . . . 121 VAL HG12 . 17683 1 1428 . 1 1 121 121 VAL HG13 H 1 0.941 0.020 . 1 . . . . 121 VAL HG13 . 17683 1 1429 . 1 1 121 121 VAL HG21 H 1 0.941 0.020 . 1 . . . . 121 VAL HG21 . 17683 1 1430 . 1 1 121 121 VAL HG22 H 1 0.941 0.020 . 1 . . . . 121 VAL HG22 . 17683 1 1431 . 1 1 121 121 VAL HG23 H 1 0.941 0.020 . 1 . . . . 121 VAL HG23 . 17683 1 1432 . 1 1 121 121 VAL C C 13 176.096 0.400 . 1 . . . . 121 VAL C . 17683 1 1433 . 1 1 121 121 VAL CA C 13 62.114 0.400 . 1 . . . . 121 VAL CA . 17683 1 1434 . 1 1 121 121 VAL CB C 13 32.717 0.400 . 1 . . . . 121 VAL CB . 17683 1 1435 . 1 1 121 121 VAL CG1 C 13 20.367 0.400 . 1 . . . . 121 VAL CG1 . 17683 1 1436 . 1 1 121 121 VAL CG2 C 13 20.427 0.400 . 1 . . . . 121 VAL CG2 . 17683 1 1437 . 1 1 121 121 VAL N N 15 122.068 0.400 . 1 . . . . 121 VAL N . 17683 1 1438 . 1 1 122 122 THR H H 1 8.228 0.020 . 1 . . . . 122 THR H . 17683 1 1439 . 1 1 122 122 THR HA H 1 4.403 0.020 . 1 . . . . 122 THR HA . 17683 1 1440 . 1 1 122 122 THR HB H 1 4.224 0.020 . 1 . . . . 122 THR HB . 17683 1 1441 . 1 1 122 122 THR HG21 H 1 1.185 0.020 . 1 . . . . 122 THR HG21 . 17683 1 1442 . 1 1 122 122 THR HG22 H 1 1.185 0.020 . 1 . . . . 122 THR HG22 . 17683 1 1443 . 1 1 122 122 THR HG23 H 1 1.185 0.020 . 1 . . . . 122 THR HG23 . 17683 1 1444 . 1 1 122 122 THR C C 13 174.052 0.400 . 1 . . . . 122 THR C . 17683 1 1445 . 1 1 122 122 THR CA C 13 61.625 0.400 . 1 . . . . 122 THR CA . 17683 1 1446 . 1 1 122 122 THR CB C 13 69.922 0.400 . 1 . . . . 122 THR CB . 17683 1 1447 . 1 1 122 122 THR CG2 C 13 21.440 0.400 . 1 . . . . 122 THR CG2 . 17683 1 1448 . 1 1 122 122 THR N N 15 117.824 0.400 . 1 . . . . 122 THR N . 17683 1 1449 . 1 1 123 123 SER H H 1 8.310 0.020 . 1 . . . . 123 SER H . 17683 1 1450 . 1 1 123 123 SER HA H 1 4.510 0.020 . 1 . . . . 123 SER HA . 17683 1 1451 . 1 1 123 123 SER HB2 H 1 3.875 0.020 . 1 . . . . 123 SER HB2 . 17683 1 1452 . 1 1 123 123 SER HB3 H 1 3.875 0.020 . 1 . . . . 123 SER HB3 . 17683 1 1453 . 1 1 123 123 SER C C 13 174.052 0.400 . 1 . . . . 123 SER C . 17683 1 1454 . 1 1 123 123 SER CA C 13 57.981 0.400 . 1 . . . . 123 SER CA . 17683 1 1455 . 1 1 123 123 SER CB C 13 63.841 0.400 . 1 . . . . 123 SER CB . 17683 1 1456 . 1 1 123 123 SER N N 15 118.198 0.400 . 1 . . . . 123 SER N . 17683 1 1457 . 1 1 124 124 VAL H H 1 8.206 0.020 . 1 . . . . 124 VAL H . 17683 1 1458 . 1 1 124 124 VAL HA H 1 4.225 0.020 . 1 . . . . 124 VAL HA . 17683 1 1459 . 1 1 124 124 VAL HB H 1 2.131 0.020 . 1 . . . . 124 VAL HB . 17683 1 1460 . 1 1 124 124 VAL HG11 H 1 0.930 0.020 . 1 . . . . 124 VAL HG11 . 17683 1 1461 . 1 1 124 124 VAL HG12 H 1 0.930 0.020 . 1 . . . . 124 VAL HG12 . 17683 1 1462 . 1 1 124 124 VAL HG13 H 1 0.930 0.020 . 1 . . . . 124 VAL HG13 . 17683 1 1463 . 1 1 124 124 VAL HG21 H 1 0.930 0.020 . 1 . . . . 124 VAL HG21 . 17683 1 1464 . 1 1 124 124 VAL HG22 H 1 0.930 0.020 . 1 . . . . 124 VAL HG22 . 17683 1 1465 . 1 1 124 124 VAL HG23 H 1 0.930 0.020 . 1 . . . . 124 VAL HG23 . 17683 1 1466 . 1 1 124 124 VAL C C 13 175.134 0.400 . 1 . . . . 124 VAL C . 17683 1 1467 . 1 1 124 124 VAL CA C 13 62.240 0.400 . 1 . . . . 124 VAL CA . 17683 1 1468 . 1 1 124 124 VAL CB C 13 32.672 0.400 . 1 . . . . 124 VAL CB . 17683 1 1469 . 1 1 124 124 VAL CG1 C 13 21.380 0.400 . 1 . . . . 124 VAL CG1 . 17683 1 1470 . 1 1 124 124 VAL CG2 C 13 21.310 0.400 . 1 . . . . 124 VAL CG2 . 17683 1 1471 . 1 1 124 124 VAL N N 15 121.388 0.400 . 1 . . . . 124 VAL N . 17683 1 1472 . 1 1 125 125 SER H H 1 7.957 0.020 . 1 . . . . 125 SER H . 17683 1 1473 . 1 1 125 125 SER HA H 1 4.260 0.020 . 1 . . . . 125 SER HA . 17683 1 1474 . 1 1 125 125 SER HB2 H 1 3.816 0.020 . 2 . . . . 125 SER HB2 . 17683 1 1475 . 1 1 125 125 SER HB3 H 1 3.819 0.020 . 2 . . . . 125 SER HB3 . 17683 1 1476 . 1 1 125 125 SER CA C 13 59.978 0.400 . 1 . . . . 125 SER CA . 17683 1 1477 . 1 1 125 125 SER CB C 13 64.882 0.400 . 1 . . . . 125 SER CB . 17683 1 1478 . 1 1 125 125 SER N N 15 124.616 0.400 . 1 . . . . 125 SER N . 17683 1 stop_ save_