data_18878 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 18878 _Entry.Title ; Solution structure of the Hs. PSIP1 PWWP domain ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2012-12-06 _Entry.Accession_date 2012-12-06 _Entry.Last_release_date 2013-06-04 _Entry.Original_release_date 2013-06-04 _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 _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 Hugo 'van Ingen' . . . 18878 2 R. 'Van nuland' . . . 18878 3 H. Timmers . T.M. . 18878 4 R. Boelens . . . 18878 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 'not applicable' 'not applicable' . 18878 stop_ loop_ _Entry_src.ID _Entry_src.Project_name _Entry_src.Organization_full_name _Entry_src.Organization_initials _Entry_src.Entry_ID 1 . 'van IngenGroup' . 18878 stop_ loop_ _Struct_keywords.Keywords _Struct_keywords.Text _Struct_keywords.Entry_ID 'DNA BINDING' . 18878 'PWWP domain' . 18878 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 18878 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 408 18878 '15N chemical shifts' 90 18878 '1H chemical shifts' 657 18878 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 . . 2013-06-04 2012-12-06 original author . 18878 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 3ZEH 'BMRB Entry Tracking System' 18878 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 18878 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 23656834 _Citation.Full_citation . _Citation.Title 'Nucleosomal DNA binding drives the recognition of H3K36-methylated nucleosomes by the PSIP1-PWWP domain.' _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'Epigenetics Chromatin' _Citation.Journal_name_full 'Epigenetics & chromatin' _Citation.Journal_volume 6 _Citation.Journal_issue 1 _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 12 _Citation.Page_last 12 _Citation.Year 2013 _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 Rick 'van Nuland' . . . 18878 1 2 'Frederik Ma' 'van Schaik' . . . 18878 1 3 Marieke Simonis . . . 18878 1 4 Sebastiaan 'van Heesch' . . . 18878 1 5 Edwin Cuppen . . . 18878 1 6 Rolf Boelens . . . 18878 1 7 'Ht Marc' Timmers . . . 18878 1 8 Hugo 'van Ingen' . . . 18878 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 18878 _Assembly.ID 1 _Assembly.Name 'Solution structure of the Hs. PSIP1 PWWP domain' _Assembly.BMRB_code . _Assembly.Number_of_components 1 _Assembly.Organic_ligands 0 _Assembly.Metal_ions 0 _Assembly.Non_standard_bonds no _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state 'not present' _Assembly.Molecular_mass 11890.6105 _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 'PC4 AND SFRS1-INTERACTING PROTEIN' 1 $PC4_AND_SFRS1-INTERACTING_PROTEIN A . yes native no no . . . 18878 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_PC4_AND_SFRS1-INTERACTING_PROTEIN _Entity.Sf_category entity _Entity.Sf_framecode PC4_AND_SFRS1-INTERACTING_PROTEIN _Entity.Entry_ID 18878 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name PC4_AND_SFRS1-INTERACTING_PROTEIN _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 ; GSHMAMARDFKPGDLIFAKM KGYPHWPARVDEVPDGAVKP PTNKLPIFFFGTHETAFLGP KDIFPYSENKEKYGKPNKRK GFNEGLWEIDNNPKVKFSSQ QAATK ; _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 105 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'not present' _Entity.Src_method . _Entity.Parent_entity_ID 1 _Entity.Fragment 'PWWP domain' _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 11890.6105 _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 yes UNP PSIP1_HUMAN . O75475 . . . . . . . . . . . . . . 18878 1 2 no BMRB 18478 . entity . . . . . 89.52 97 97.87 98.94 9.83e-60 . . . . 18878 1 3 no PDB 2M16 . "P75/ledgf Pwwp Domain" . . . . . 89.52 97 97.87 98.94 9.83e-60 . . . . 18878 1 4 no PDB 3ZEH . "Solution Structure Of The Hs. Psip1 Pwwp Domain" . . . . . 100.00 105 100.00 100.00 6.63e-70 . . . . 18878 1 5 no PDB 4FU6 . "Crystal Structure Of The Psip1 Pwwp Domain" . . . . . 97.14 153 97.06 97.06 2.44e-66 . . . . 18878 1 6 no DBJ BAB27707 . "unnamed protein product [Mus musculus]" . . . . . 95.24 147 98.00 99.00 3.36e-66 . . . . 18878 1 7 no DBJ BAE24079 . "unnamed protein product [Mus musculus]" . . . . . 95.24 248 98.00 99.00 4.29e-66 . . . . 18878 1 8 no DBJ BAE36388 . "unnamed protein product [Mus musculus]" . . . . . 95.24 229 98.00 99.00 5.00e-66 . . . . 18878 1 9 no DBJ BAE41251 . "unnamed protein product [Mus musculus]" . . . . . 95.24 236 98.00 99.00 4.56e-66 . . . . 18878 1 10 no DBJ BAJ78791 . "supercoiled DNA binding protein 75 [Rattus norvegicus]" . . . . . 95.24 528 97.00 98.00 8.90e-65 . . . . 18878 1 11 no EMBL CAC34944 . "lens epithelium-derived growth factor [Mus musculus]" . . . . . 95.24 528 98.00 99.00 4.62e-65 . . . . 18878 1 12 no EMBL CAC34945 . "transcriptional co-activator p52 [Mus musculus]" . . . . . 95.24 331 98.00 99.00 4.40e-66 . . . . 18878 1 13 no GB AAC25167 . "lens epithelium-derived growth factor [Homo sapiens]" . . . . . 95.24 530 99.00 99.00 6.65e-66 . . . . 18878 1 14 no GB AAC97945 . "transcriptional coactivator p52 [Homo sapiens]" . . . . . 95.24 333 99.00 99.00 9.31e-67 . . . . 18878 1 15 no GB AAC97946 . "transcriptional coactivator p75 [Homo sapiens]" . . . . . 95.24 530 99.00 99.00 8.39e-66 . . . . 18878 1 16 no GB AAF25870 . "lens epithelium-derived growth factor p75 [Homo sapiens]" . . . . . 95.24 530 99.00 99.00 6.65e-66 . . . . 18878 1 17 no GB AAF25871 . "lens epithelium-derived growth factor p52 [Homo sapiens]" . . . . . 95.24 333 99.00 99.00 7.67e-67 . . . . 18878 1 18 no REF NP_001009372 . "PC4 and SFRS1-interacting protein [Felis catus]" . . . . . 95.24 530 98.00 99.00 1.12e-65 . . . . 18878 1 19 no REF NP_001075982 . "PC4 and SFRS1-interacting protein [Equus caballus]" . . . . . 95.24 530 98.00 99.00 1.52e-65 . . . . 18878 1 20 no REF NP_001121689 . "PC4 and SFRS1-interacting protein isoform 2 [Homo sapiens]" . . . . . 95.24 530 99.00 99.00 6.65e-66 . . . . 18878 1 21 no REF NP_001137364 . "PC4 and SFRS1-interacting protein [Ovis aries]" . . . . . 95.24 530 97.00 98.00 7.90e-65 . . . . 18878 1 22 no REF NP_001193405 . "PC4 and SFRS1-interacting protein [Bos taurus]" . . . . . 95.24 530 97.00 98.00 1.01e-64 . . . . 18878 1 23 no SP O75475 . "RecName: Full=PC4 and SFRS1-interacting protein; AltName: Full=CLL-associated antigen KW-7; AltName: Full=Dense fine speckles 7" . . . . . 95.24 530 99.00 99.00 6.65e-66 . . . . 18878 1 24 no SP Q66T72 . "RecName: Full=PC4 and SFRS1-interacting protein; AltName: Full=LEDGF/p75; AltName: Full=Lens epithelium-derived growth factor; " . . . . . 95.24 530 98.00 99.00 1.12e-65 . . . . 18878 1 25 no SP Q812D1 . "RecName: Full=PC4 and SFRS1-interacting protein; AltName: Full=Lens epithelium-derived growth factor" . . . . . 95.24 528 97.00 98.00 9.69e-65 . . . . 18878 1 26 no SP Q8MJG1 . "RecName: Full=PC4 and SFRS1-interacting protein; AltName: Full=Lens epithelium-derived growth factor" . . . . . 95.24 530 97.00 98.00 1.01e-64 . . . . 18878 1 27 no SP Q99JF8 . "RecName: Full=PC4 and SFRS1-interacting protein; AltName: Full=Lens epithelium-derived growth factor; Short=mLEDGF" . . . . . 95.24 528 98.00 99.00 4.62e-65 . . . . 18878 1 28 no TPG DAA26946 . "TPA: PC4 and SFRS1 interacting protein 1 [Bos taurus]" . . . . . 95.24 482 97.00 98.00 5.06e-65 . . . . 18878 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 -4 GLY . 18878 1 2 -3 SER . 18878 1 3 -2 HIS . 18878 1 4 -1 MET . 18878 1 5 0 ALA . 18878 1 6 1 MET . 18878 1 7 2 ALA . 18878 1 8 3 ARG . 18878 1 9 4 ASP . 18878 1 10 5 PHE . 18878 1 11 6 LYS . 18878 1 12 7 PRO . 18878 1 13 8 GLY . 18878 1 14 9 ASP . 18878 1 15 10 LEU . 18878 1 16 11 ILE . 18878 1 17 12 PHE . 18878 1 18 13 ALA . 18878 1 19 14 LYS . 18878 1 20 15 MET . 18878 1 21 16 LYS . 18878 1 22 17 GLY . 18878 1 23 18 TYR . 18878 1 24 19 PRO . 18878 1 25 20 HIS . 18878 1 26 21 TRP . 18878 1 27 22 PRO . 18878 1 28 23 ALA . 18878 1 29 24 ARG . 18878 1 30 25 VAL . 18878 1 31 26 ASP . 18878 1 32 27 GLU . 18878 1 33 28 VAL . 18878 1 34 29 PRO . 18878 1 35 30 ASP . 18878 1 36 31 GLY . 18878 1 37 32 ALA . 18878 1 38 33 VAL . 18878 1 39 34 LYS . 18878 1 40 35 PRO . 18878 1 41 36 PRO . 18878 1 42 37 THR . 18878 1 43 38 ASN . 18878 1 44 39 LYS . 18878 1 45 40 LEU . 18878 1 46 41 PRO . 18878 1 47 42 ILE . 18878 1 48 43 PHE . 18878 1 49 44 PHE . 18878 1 50 45 PHE . 18878 1 51 46 GLY . 18878 1 52 47 THR . 18878 1 53 48 HIS . 18878 1 54 49 GLU . 18878 1 55 50 THR . 18878 1 56 51 ALA . 18878 1 57 52 PHE . 18878 1 58 53 LEU . 18878 1 59 54 GLY . 18878 1 60 55 PRO . 18878 1 61 56 LYS . 18878 1 62 57 ASP . 18878 1 63 58 ILE . 18878 1 64 59 PHE . 18878 1 65 60 PRO . 18878 1 66 61 TYR . 18878 1 67 62 SER . 18878 1 68 63 GLU . 18878 1 69 64 ASN . 18878 1 70 65 LYS . 18878 1 71 66 GLU . 18878 1 72 67 LYS . 18878 1 73 68 TYR . 18878 1 74 69 GLY . 18878 1 75 70 LYS . 18878 1 76 71 PRO . 18878 1 77 72 ASN . 18878 1 78 73 LYS . 18878 1 79 74 ARG . 18878 1 80 75 LYS . 18878 1 81 76 GLY . 18878 1 82 77 PHE . 18878 1 83 78 ASN . 18878 1 84 79 GLU . 18878 1 85 80 GLY . 18878 1 86 81 LEU . 18878 1 87 82 TRP . 18878 1 88 83 GLU . 18878 1 89 84 ILE . 18878 1 90 85 ASP . 18878 1 91 86 ASN . 18878 1 92 87 ASN . 18878 1 93 88 PRO . 18878 1 94 89 LYS . 18878 1 95 90 VAL . 18878 1 96 91 LYS . 18878 1 97 92 PHE . 18878 1 98 93 SER . 18878 1 99 94 SER . 18878 1 100 95 GLN . 18878 1 101 96 GLN . 18878 1 102 97 ALA . 18878 1 103 98 ALA . 18878 1 104 99 THR . 18878 1 105 100 LYS . 18878 1 stop_ loop_ _Entity_poly_seq.Hetero _Entity_poly_seq.Mon_ID _Entity_poly_seq.Num _Entity_poly_seq.Comp_index_ID _Entity_poly_seq.Entry_ID _Entity_poly_seq.Entity_ID . GLY 1 1 18878 1 . SER 2 2 18878 1 . HIS 3 3 18878 1 . MET 4 4 18878 1 . ALA 5 5 18878 1 . MET 6 6 18878 1 . ALA 7 7 18878 1 . ARG 8 8 18878 1 . ASP 9 9 18878 1 . PHE 10 10 18878 1 . LYS 11 11 18878 1 . PRO 12 12 18878 1 . GLY 13 13 18878 1 . ASP 14 14 18878 1 . LEU 15 15 18878 1 . ILE 16 16 18878 1 . PHE 17 17 18878 1 . ALA 18 18 18878 1 . LYS 19 19 18878 1 . MET 20 20 18878 1 . LYS 21 21 18878 1 . GLY 22 22 18878 1 . TYR 23 23 18878 1 . PRO 24 24 18878 1 . HIS 25 25 18878 1 . TRP 26 26 18878 1 . PRO 27 27 18878 1 . ALA 28 28 18878 1 . ARG 29 29 18878 1 . VAL 30 30 18878 1 . ASP 31 31 18878 1 . GLU 32 32 18878 1 . VAL 33 33 18878 1 . PRO 34 34 18878 1 . ASP 35 35 18878 1 . GLY 36 36 18878 1 . ALA 37 37 18878 1 . VAL 38 38 18878 1 . LYS 39 39 18878 1 . PRO 40 40 18878 1 . PRO 41 41 18878 1 . THR 42 42 18878 1 . ASN 43 43 18878 1 . LYS 44 44 18878 1 . LEU 45 45 18878 1 . PRO 46 46 18878 1 . ILE 47 47 18878 1 . PHE 48 48 18878 1 . PHE 49 49 18878 1 . PHE 50 50 18878 1 . GLY 51 51 18878 1 . THR 52 52 18878 1 . HIS 53 53 18878 1 . GLU 54 54 18878 1 . THR 55 55 18878 1 . ALA 56 56 18878 1 . PHE 57 57 18878 1 . LEU 58 58 18878 1 . GLY 59 59 18878 1 . PRO 60 60 18878 1 . LYS 61 61 18878 1 . ASP 62 62 18878 1 . ILE 63 63 18878 1 . PHE 64 64 18878 1 . PRO 65 65 18878 1 . TYR 66 66 18878 1 . SER 67 67 18878 1 . GLU 68 68 18878 1 . ASN 69 69 18878 1 . LYS 70 70 18878 1 . GLU 71 71 18878 1 . LYS 72 72 18878 1 . TYR 73 73 18878 1 . GLY 74 74 18878 1 . LYS 75 75 18878 1 . PRO 76 76 18878 1 . ASN 77 77 18878 1 . LYS 78 78 18878 1 . ARG 79 79 18878 1 . LYS 80 80 18878 1 . GLY 81 81 18878 1 . PHE 82 82 18878 1 . ASN 83 83 18878 1 . GLU 84 84 18878 1 . GLY 85 85 18878 1 . LEU 86 86 18878 1 . TRP 87 87 18878 1 . GLU 88 88 18878 1 . ILE 89 89 18878 1 . ASP 90 90 18878 1 . ASN 91 91 18878 1 . ASN 92 92 18878 1 . PRO 93 93 18878 1 . LYS 94 94 18878 1 . VAL 95 95 18878 1 . LYS 96 96 18878 1 . PHE 97 97 18878 1 . SER 98 98 18878 1 . SER 99 99 18878 1 . GLN 100 100 18878 1 . GLN 101 101 18878 1 . ALA 102 102 18878 1 . ALA 103 103 18878 1 . THR 104 104 18878 1 . LYS 105 105 18878 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 18878 _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 $PC4_AND_SFRS1-INTERACTING_PROTEIN . 9606 organism . 'Homo sapiens' Human . . Eukaryota Metazoa Homo sapiens . . . . . . . . . . . . . . . . . . . . . 18878 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 18878 _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 $PC4_AND_SFRS1-INTERACTING_PROTEIN . 'recombinant technology' 'Escherichia coli' 'Escherichia coli' . . Escherichia coli BL21 . . . . . . . . . . . . n/a . . n/a . . . . . . 18878 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 18878 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details '0.5 mM' _Sample.Aggregate_sample_number . _Sample.Solvent_system '90% water 10% D2O 20 mM NaPi pH 6 100 mM NaCl' _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 'PC4 AND SFRS1-INTERACTING PROTEIN' '[U-13C; U-15N]' . . 1 $PC4_AND_SFRS1-INTERACTING_PROTEIN . . 0.5 . . mM . . . . 18878 1 2 NaPi 'natural abundance' . . . . . . 20 . . mM . . . . 18878 1 3 NaCl 'natural abundance' . . . . . . 100 . . mM . . . . 18878 1 stop_ save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode sample_conditions_1 _Sample_condition_list.Entry_ID 18878 _Sample_condition_list.ID 1 _Sample_condition_list.Details 'pH [6.0], temp [298], pressure [1], ionStrength [100.0]' loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID 'ionic strength' 100.000 . mM 18878 1 pH 6.000 . pH 18878 1 pressure 1.000 . atm 18878 1 temperature 298.000 . K 18878 1 stop_ save_ ############################ # Computer software used # ############################ save_AutoDep _Software.Sf_category software _Software.Sf_framecode AutoDep _Software.Entry_ID 18878 _Software.ID 1 _Software.Name AutoDep _Software.Version 4.3 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID PDBe . . 18878 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID collection 18878 1 stop_ save_ save_CNS _Software.Sf_category software _Software.Sf_framecode CNS _Software.Entry_ID 18878 _Software.ID 2 _Software.Name CNS _Software.Version any _Software.Details 'refinement in explicit water using RECOORD protocol' loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID BRUNGER,ADAMS,CLORE,DELANO,GROS,GROSSE- . . 18878 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' 18878 2 stop_ save_ save_CYANA _Software.Sf_category software _Software.Sf_framecode CYANA _Software.Entry_ID 18878 _Software.ID 3 _Software.Name CYANA _Software.Version any _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Guntert, Mumenthaler and Wuthrich' . . 18878 3 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' 18878 3 stop_ save_ save_SPARKY _Software.Sf_category software _Software.Sf_framecode SPARKY _Software.Entry_ID 18878 _Software.ID 4 _Software.Name SPARKY _Software.Version any _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID Goddard . . 18878 4 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' 18878 4 stop_ save_ save_CYANA_and_water-refinement_in_CNS _Method.Sf_category method _Method.Sf_framecode CYANA_and_water-refinement_in_CNS _Method.Entry_ID 18878 _Method.ID 1 _Method.Derivation_type . _Method.Details 'CYANA and water-refinement in CNS' _Method.Computer_ID . _Method.Computer_label . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_Bruker_Avance-750 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode Bruker_Avance-750 _NMR_spectrometer.Entry_ID 18878 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 750 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 18878 _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 Bruker_Avance-750 Bruker Avance . 750 . . . 18878 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 18878 _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 'triple resonance' no 1 $NMR_spectrometer_expt . . . . . . . . 1 $sample_1 solution . . 1 $sample_conditions_1 . . . 1 $Bruker_Avance-750 . . . . . . . . . . . . . . . . 18878 1 2 '13C/15N edited NOESY' no 1 $NMR_spectrometer_expt . . . . . . . . 1 $sample_1 solution . . 1 $sample_conditions_1 . . . 1 $Bruker_Avance-750 . . . . . . . . . . . . . . . . 18878 1 stop_ save_ save_NMR_spectrometer_expt _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spectrometer_expt _NMR_spec_expt.Entry_ID 18878 _NMR_spec_expt.ID 1 _NMR_spec_expt.Name . _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID 1 _NMR_spec_expt.NMR_spectrometer_label $Bruker_Avance-750 _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID 1 _NMR_spec_expt.Method_label $CYANA_and_water-refinement_in_CNS _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . 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 18878 _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 HDO 'water protons' . . . . ppm 4.7 internal indirect 0.25144953 . . . . . . . . . 18878 1 H 1 HDO 'water protons' . . . . ppm 4.7 internal indirect 1 . . . . . . . . . 18878 1 N 15 HDO 'water protons' . . . . ppm 4.7 internal indirect 0.101329118 . . . . . . . . . 18878 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 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chem_shift_list _Assigned_chem_shift_list.Entry_ID 18878 _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 'Origin nmrStar file /ebi/msd/pdb_root/Processing/prepare/3zeh/ebi/PWWP-1-93-3L.str.csh' _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 'triple resonance' 1 $sample_1 solution 18878 1 2 '13C/15N edited NOESY' 1 $sample_1 solution 18878 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 6 6 MET H H 1 8.380 0.002 . 1 . . . . 1 M H . 18878 1 2 . 1 1 6 6 MET HA H 1 4.494 0.004 . 1 . . . . 1 M HA . 18878 1 3 . 1 1 6 6 MET HB2 H 1 2.106 0.002 . 2 . . . . 1 M HB2 . 18878 1 4 . 1 1 6 6 MET HB3 H 1 1.972 0.003 . 2 . . . . 1 M HB3 . 18878 1 5 . 1 1 6 6 MET HG2 H 1 2.612 0.003 . 2 . . . . 1 M HG2 . 18878 1 6 . 1 1 6 6 MET HG3 H 1 2.543 0.003 . 2 . . . . 1 M HG3 . 18878 1 7 . 1 1 6 6 MET C C 13 176.058 0.000 . 1 . . . . 1 M C . 18878 1 8 . 1 1 6 6 MET CA C 13 55.047 0.027 . 1 . . . . 1 M CA . 18878 1 9 . 1 1 6 6 MET CB C 13 33.594 0.031 . 1 . . . . 1 M CB . 18878 1 10 . 1 1 6 6 MET CG C 13 32.036 0.068 . 1 . . . . 1 M CG . 18878 1 11 . 1 1 6 6 MET N N 15 119.767 0.016 . 1 . . . . 1 M N . 18878 1 12 . 1 1 7 7 ALA H H 1 8.453 0.005 . 1 . . . . 2 A H . 18878 1 13 . 1 1 7 7 ALA HA H 1 4.234 0.003 . 1 . . . . 2 A HA . 18878 1 14 . 1 1 7 7 ALA HB1 H 1 1.364 0.002 . 1 . . . . 2 A HB# . 18878 1 15 . 1 1 7 7 ALA HB2 H 1 1.364 0.002 . 1 . . . . 2 A HB# . 18878 1 16 . 1 1 7 7 ALA HB3 H 1 1.364 0.002 . 1 . . . . 2 A HB# . 18878 1 17 . 1 1 7 7 ALA C C 13 177.471 0.000 . 1 . . . . 2 A C . 18878 1 18 . 1 1 7 7 ALA CA C 13 53.134 0.013 . 1 . . . . 2 A CA . 18878 1 19 . 1 1 7 7 ALA CB C 13 18.976 0.040 . 1 . . . . 2 A CB . 18878 1 20 . 1 1 7 7 ALA N N 15 125.517 0.032 . 1 . . . . 2 A N . 18878 1 21 . 1 1 8 8 ARG H H 1 8.102 0.001 . 1 . . . . 3 R H . 18878 1 22 . 1 1 8 8 ARG HA H 1 4.211 0.003 . 1 . . . . 3 R HA . 18878 1 23 . 1 1 8 8 ARG HB2 H 1 1.618 0.001 . 2 . . . . 3 R HB# . 18878 1 24 . 1 1 8 8 ARG HB3 H 1 1.618 0.001 . 2 . . . . 3 R HB# . 18878 1 25 . 1 1 8 8 ARG HG2 H 1 1.386 0.003 . 2 . . . . 3 R QG . 18878 1 26 . 1 1 8 8 ARG HG3 H 1 1.386 0.003 . 2 . . . . 3 R QG . 18878 1 27 . 1 1 8 8 ARG HD2 H 1 3.079 0.002 . 2 . . . . 3 R HD# . 18878 1 28 . 1 1 8 8 ARG HD3 H 1 3.079 0.002 . 2 . . . . 3 R HD# . 18878 1 29 . 1 1 8 8 ARG C C 13 175.034 0.000 . 1 . . . . 3 R C . 18878 1 30 . 1 1 8 8 ARG CA C 13 55.607 0.017 . 1 . . . . 3 R CA . 18878 1 31 . 1 1 8 8 ARG CB C 13 30.681 0.042 . 1 . . . . 3 R CB . 18878 1 32 . 1 1 8 8 ARG CG C 13 26.603 0.020 . 1 . . . . 3 R CG . 18878 1 33 . 1 1 8 8 ARG CD C 13 43.385 0.016 . 1 . . . . 3 R CD . 18878 1 34 . 1 1 8 8 ARG N N 15 118.571 0.029 . 1 . . . . 3 R N . 18878 1 35 . 1 1 9 9 ASP H H 1 8.098 0.002 . 1 . . . . 4 D H . 18878 1 36 . 1 1 9 9 ASP HA H 1 4.565 0.003 . 1 . . . . 4 D HA . 18878 1 37 . 1 1 9 9 ASP HB2 H 1 2.552 0.003 . 2 . . . . 4 D HB2 . 18878 1 38 . 1 1 9 9 ASP HB3 H 1 2.430 0.004 . 2 . . . . 4 D HB3 . 18878 1 39 . 1 1 9 9 ASP C C 13 175.408 0.000 . 1 . . . . 4 D C . 18878 1 40 . 1 1 9 9 ASP CA C 13 53.915 0.033 . 1 . . . . 4 D CA . 18878 1 41 . 1 1 9 9 ASP CB C 13 41.399 0.038 . 1 . . . . 4 D CB . 18878 1 42 . 1 1 9 9 ASP N N 15 121.876 0.019 . 1 . . . . 4 D N . 18878 1 43 . 1 1 10 10 PHE H H 1 8.122 0.003 . 1 . . . . 5 F H . 18878 1 44 . 1 1 10 10 PHE HA H 1 4.696 0.003 . 1 . . . . 5 F HA . 18878 1 45 . 1 1 10 10 PHE HB2 H 1 2.724 0.001 . 2 . . . . 5 F HB2 . 18878 1 46 . 1 1 10 10 PHE HB3 H 1 2.972 0.002 . 2 . . . . 5 F HB3 . 18878 1 47 . 1 1 10 10 PHE HD1 H 1 7.289 0.005 . 3 . . . . 5 F HD# . 18878 1 48 . 1 1 10 10 PHE HD2 H 1 7.289 0.005 . 3 . . . . 5 F HD# . 18878 1 49 . 1 1 10 10 PHE HE1 H 1 7.149 0.005 . 3 . . . . 5 F HE# . 18878 1 50 . 1 1 10 10 PHE HE2 H 1 7.149 0.005 . 3 . . . . 5 F HE# . 18878 1 51 . 1 1 10 10 PHE HZ H 1 7.070 0.002 . 1 . . . . 5 F HZ . 18878 1 52 . 1 1 10 10 PHE C C 13 174.824 0.000 . 1 . . . . 5 F C . 18878 1 53 . 1 1 10 10 PHE CA C 13 58.352 0.027 . 1 . . . . 5 F CA . 18878 1 54 . 1 1 10 10 PHE CB C 13 41.510 0.050 . 1 . . . . 5 F CB . 18878 1 55 . 1 1 10 10 PHE CD1 C 13 132.132 0.085 . 3 . . . . 5 F CD1 . 18878 1 56 . 1 1 10 10 PHE CE1 C 13 131.230 0.029 . 3 . . . . 5 F CE1 . 18878 1 57 . 1 1 10 10 PHE N N 15 120.016 0.041 . 1 . . . . 5 F N . 18878 1 58 . 1 1 11 11 LYS H H 1 9.077 0.005 . 1 . . . . 6 K H . 18878 1 59 . 1 1 11 11 LYS HA H 1 4.849 0.003 . 1 . . . . 6 K HA . 18878 1 60 . 1 1 11 11 LYS HB2 H 1 1.733 0.001 . 2 . . . . 6 K HB# . 18878 1 61 . 1 1 11 11 LYS HB3 H 1 1.733 0.001 . 2 . . . . 6 K HB# . 18878 1 62 . 1 1 11 11 LYS HG2 H 1 1.486 0.002 . 2 . . . . 6 K HG2 . 18878 1 63 . 1 1 11 11 LYS HG3 H 1 1.389 0.000 . 2 . . . . 6 K HG3 . 18878 1 64 . 1 1 11 11 LYS HD2 H 1 1.681 0.001 . 2 . . . . 6 K HD# . 18878 1 65 . 1 1 11 11 LYS HD3 H 1 1.681 0.001 . 2 . . . . 6 K HD# . 18878 1 66 . 1 1 11 11 LYS HE2 H 1 3.018 0.000 . 2 . . . . 6 K HE# . 18878 1 67 . 1 1 11 11 LYS HE3 H 1 3.018 0.000 . 2 . . . . 6 K HE# . 18878 1 68 . 1 1 11 11 LYS CA C 13 53.059 0.042 . 1 . . . . 6 K CA . 18878 1 69 . 1 1 11 11 LYS CB C 13 33.448 0.029 . 1 . . . . 6 K CB . 18878 1 70 . 1 1 11 11 LYS CG C 13 23.936 0.046 . 1 . . . . 6 K CG . 18878 1 71 . 1 1 11 11 LYS CD C 13 28.948 0.029 . 1 . . . . 6 K CD . 18878 1 72 . 1 1 11 11 LYS CE C 13 42.235 0.046 . 1 . . . . 6 K CE . 18878 1 73 . 1 1 11 11 LYS N N 15 123.076 0.025 . 1 . . . . 6 K N . 18878 1 74 . 1 1 12 12 PRO HA H 1 3.931 0.002 . 1 . . . . 7 P HA . 18878 1 75 . 1 1 12 12 PRO HB2 H 1 1.863 0.002 . 2 . . . . 7 P HB2 . 18878 1 76 . 1 1 12 12 PRO HB3 H 1 2.040 0.000 . 2 . . . . 7 P HB3 . 18878 1 77 . 1 1 12 12 PRO HG2 H 1 2.179 0.001 . 2 . . . . 7 P HG2 . 18878 1 78 . 1 1 12 12 PRO HG3 H 1 1.952 0.001 . 2 . . . . 7 P HG3 . 18878 1 79 . 1 1 12 12 PRO HD2 H 1 3.567 0.002 . 2 . . . . 7 P HD2 . 18878 1 80 . 1 1 12 12 PRO HD3 H 1 3.872 0.002 . 2 . . . . 7 P HD3 . 18878 1 81 . 1 1 12 12 PRO C C 13 177.525 0.000 . 1 . . . . 7 P C . 18878 1 82 . 1 1 12 12 PRO CA C 13 63.821 0.053 . 1 . . . . 7 P CA . 18878 1 83 . 1 1 12 12 PRO CB C 13 31.623 0.019 . 1 . . . . 7 P CB . 18878 1 84 . 1 1 12 12 PRO CG C 13 28.113 0.032 . 1 . . . . 7 P CG . 18878 1 85 . 1 1 12 12 PRO CD C 13 50.565 0.047 . 1 . . . . 7 P CD . 18878 1 86 . 1 1 13 13 GLY H H 1 9.655 0.002 . 1 . . . . 8 G H . 18878 1 87 . 1 1 13 13 GLY HA2 H 1 4.422 0.007 . 2 . . . . 8 G HA2 . 18878 1 88 . 1 1 13 13 GLY HA3 H 1 3.341 0.003 . 2 . . . . 8 G HA3 . 18878 1 89 . 1 1 13 13 GLY C C 13 174.517 0.000 . 1 . . . . 8 G C . 18878 1 90 . 1 1 13 13 GLY CA C 13 44.656 0.026 . 1 . . . . 8 G CA . 18878 1 91 . 1 1 13 13 GLY N N 15 115.337 0.031 . 1 . . . . 8 G N . 18878 1 92 . 1 1 14 14 ASP H H 1 8.284 0.004 . 1 . . . . 9 D H . 18878 1 93 . 1 1 14 14 ASP HA H 1 4.588 0.002 . 1 . . . . 9 D HA . 18878 1 94 . 1 1 14 14 ASP HB2 H 1 2.961 0.000 . 2 . . . . 9 D HB2 . 18878 1 95 . 1 1 14 14 ASP HB3 H 1 2.679 0.000 . 2 . . . . 9 D HB3 . 18878 1 96 . 1 1 14 14 ASP C C 13 175.290 0.000 . 1 . . . . 9 D C . 18878 1 97 . 1 1 14 14 ASP CA C 13 55.863 0.018 . 1 . . . . 9 D CA . 18878 1 98 . 1 1 14 14 ASP CB C 13 41.081 0.114 . 1 . . . . 9 D CB . 18878 1 99 . 1 1 14 14 ASP N N 15 122.257 0.023 . 1 . . . . 9 D N . 18878 1 100 . 1 1 15 15 LEU H H 1 8.608 0.003 . 1 . . . . 10 L H . 18878 1 101 . 1 1 15 15 LEU HA H 1 4.967 0.006 . 1 . . . . 10 L HA . 18878 1 102 . 1 1 15 15 LEU HB2 H 1 1.126 0.004 . 2 . . . . 10 L HB2 . 18878 1 103 . 1 1 15 15 LEU HB3 H 1 1.999 0.005 . 2 . . . . 10 L HB3 . 18878 1 104 . 1 1 15 15 LEU HG H 1 2.030 0.003 . 1 . . . . 10 L HG . 18878 1 105 . 1 1 15 15 LEU HD11 H 1 1.019 0.003 . 2 . . . . 10 L QD1 . 18878 1 106 . 1 1 15 15 LEU HD12 H 1 1.019 0.003 . 2 . . . . 10 L QD1 . 18878 1 107 . 1 1 15 15 LEU HD13 H 1 1.019 0.003 . 2 . . . . 10 L QD1 . 18878 1 108 . 1 1 15 15 LEU HD21 H 1 0.894 0.003 . 2 . . . . 10 L QD2 . 18878 1 109 . 1 1 15 15 LEU HD22 H 1 0.894 0.003 . 2 . . . . 10 L QD2 . 18878 1 110 . 1 1 15 15 LEU HD23 H 1 0.894 0.003 . 2 . . . . 10 L QD2 . 18878 1 111 . 1 1 15 15 LEU C C 13 177.993 0.000 . 1 . . . . 10 L C . 18878 1 112 . 1 1 15 15 LEU CA C 13 54.260 0.064 . 1 . . . . 10 L CA . 18878 1 113 . 1 1 15 15 LEU CB C 13 41.236 0.042 . 1 . . . . 10 L CB . 18878 1 114 . 1 1 15 15 LEU CG C 13 26.468 0.048 . 1 . . . . 10 L CG . 18878 1 115 . 1 1 15 15 LEU CD1 C 13 21.788 0.067 . 2 . . . . 10 L CD1 . 18878 1 116 . 1 1 15 15 LEU CD2 C 13 25.147 0.085 . 2 . . . . 10 L CD2 . 18878 1 117 . 1 1 15 15 LEU N N 15 121.332 0.029 . 1 . . . . 10 L N . 18878 1 118 . 1 1 16 16 ILE H H 1 8.829 0.006 . 1 . . . . 11 I H . 18878 1 119 . 1 1 16 16 ILE HA H 1 5.329 0.002 . 1 . . . . 11 I HA . 18878 1 120 . 1 1 16 16 ILE HB H 1 1.981 0.003 . 1 . . . . 11 I HB . 18878 1 121 . 1 1 16 16 ILE HG12 H 1 0.840 0.008 . 2 . . . . 11 I HG12 . 18878 1 122 . 1 1 16 16 ILE HG13 H 1 0.687 0.006 . 2 . . . . 11 I HG13 . 18878 1 123 . 1 1 16 16 ILE HG21 H 1 0.576 0.004 . 1 . . . . 11 I QG2 . 18878 1 124 . 1 1 16 16 ILE HG22 H 1 0.576 0.004 . 1 . . . . 11 I QG2 . 18878 1 125 . 1 1 16 16 ILE HG23 H 1 0.576 0.004 . 1 . . . . 11 I QG2 . 18878 1 126 . 1 1 16 16 ILE HD11 H 1 0.498 0.003 . 1 . . . . 11 I QD1 . 18878 1 127 . 1 1 16 16 ILE HD12 H 1 0.498 0.003 . 1 . . . . 11 I QD1 . 18878 1 128 . 1 1 16 16 ILE HD13 H 1 0.498 0.003 . 1 . . . . 11 I QD1 . 18878 1 129 . 1 1 16 16 ILE C C 13 175.513 0.000 . 1 . . . . 11 I C . 18878 1 130 . 1 1 16 16 ILE CA C 13 60.443 0.045 . 1 . . . . 11 I CA . 18878 1 131 . 1 1 16 16 ILE CB C 13 44.036 0.033 . 1 . . . . 11 I CB . 18878 1 132 . 1 1 16 16 ILE CG1 C 13 26.177 0.040 . 1 . . . . 11 I CG1 . 18878 1 133 . 1 1 16 16 ILE CG2 C 13 19.055 0.048 . 1 . . . . 11 I CG2 . 18878 1 134 . 1 1 16 16 ILE CD1 C 13 16.242 0.056 . 1 . . . . 11 I CD1 . 18878 1 135 . 1 1 16 16 ILE N N 15 118.692 0.057 . 1 . . . . 11 I N . 18878 1 136 . 1 1 17 17 PHE H H 1 9.374 0.002 . 1 . . . . 12 F H . 18878 1 137 . 1 1 17 17 PHE HA H 1 5.287 0.003 . 1 . . . . 12 F HA . 18878 1 138 . 1 1 17 17 PHE HB2 H 1 2.713 0.006 . 2 . . . . 12 F HB# . 18878 1 139 . 1 1 17 17 PHE HB3 H 1 2.713 0.006 . 2 . . . . 12 F HB# . 18878 1 140 . 1 1 17 17 PHE HD1 H 1 7.085 0.005 . 3 . . . . 12 F HD# . 18878 1 141 . 1 1 17 17 PHE HD2 H 1 7.085 0.005 . 3 . . . . 12 F HD# . 18878 1 142 . 1 1 17 17 PHE HE1 H 1 7.212 0.008 . 3 . . . . 12 F HE# . 18878 1 143 . 1 1 17 17 PHE HE2 H 1 7.212 0.008 . 3 . . . . 12 F HE# . 18878 1 144 . 1 1 17 17 PHE HZ H 1 7.053 0.001 . 1 . . . . 12 F HZ . 18878 1 145 . 1 1 17 17 PHE C C 13 175.232 0.000 . 1 . . . . 12 F C . 18878 1 146 . 1 1 17 17 PHE CA C 13 58.544 0.076 . 1 . . . . 12 F CA . 18878 1 147 . 1 1 17 17 PHE CB C 13 43.314 0.072 . 1 . . . . 12 F CB . 18878 1 148 . 1 1 17 17 PHE CD1 C 13 129.384 0.000 . 3 . . . . 12 F CD1 . 18878 1 149 . 1 1 17 17 PHE CZ C 13 128.977 0.037 . 1 . . . . 12 F CZ . 18878 1 150 . 1 1 17 17 PHE N N 15 112.493 0.022 . 1 . . . . 12 F N . 18878 1 151 . 1 1 18 18 ALA H H 1 9.626 0.004 . 1 . . . . 13 A H . 18878 1 152 . 1 1 18 18 ALA HA H 1 5.353 0.003 . 1 . . . . 13 A HA . 18878 1 153 . 1 1 18 18 ALA HB1 H 1 1.025 0.002 . 1 . . . . 13 A HB# . 18878 1 154 . 1 1 18 18 ALA HB2 H 1 1.025 0.002 . 1 . . . . 13 A HB# . 18878 1 155 . 1 1 18 18 ALA HB3 H 1 1.025 0.002 . 1 . . . . 13 A HB# . 18878 1 156 . 1 1 18 18 ALA C C 13 177.054 0.000 . 1 . . . . 13 A C . 18878 1 157 . 1 1 18 18 ALA CA C 13 50.003 0.020 . 1 . . . . 13 A CA . 18878 1 158 . 1 1 18 18 ALA CB C 13 23.701 0.075 . 1 . . . . 13 A CB . 18878 1 159 . 1 1 18 18 ALA N N 15 123.845 0.014 . 1 . . . . 13 A N . 18878 1 160 . 1 1 19 19 LYS H H 1 9.399 0.009 . 1 . . . . 14 K H . 18878 1 161 . 1 1 19 19 LYS HA H 1 4.684 0.006 . 1 . . . . 14 K HA . 18878 1 162 . 1 1 19 19 LYS HB2 H 1 0.998 0.008 . 2 . . . . 14 K HB2 . 18878 1 163 . 1 1 19 19 LYS HB3 H 1 2.270 0.002 . 2 . . . . 14 K HB3 . 18878 1 164 . 1 1 19 19 LYS HG2 H 1 1.137 0.003 . 2 . . . . 14 K HG2 . 18878 1 165 . 1 1 19 19 LYS HG3 H 1 1.052 0.001 . 2 . . . . 14 K HG3 . 18878 1 166 . 1 1 19 19 LYS HD2 H 1 1.435 0.004 . 2 . . . . 14 K HD2 . 18878 1 167 . 1 1 19 19 LYS HD3 H 1 0.025 0.007 . 2 . . . . 14 K HD3 . 18878 1 168 . 1 1 19 19 LYS HE2 H 1 2.712 0.003 . 2 . . . . 14 K HE2 . 18878 1 169 . 1 1 19 19 LYS HE3 H 1 3.024 0.001 . 2 . . . . 14 K HE3 . 18878 1 170 . 1 1 19 19 LYS C C 13 172.980 0.000 . 1 . . . . 14 K C . 18878 1 171 . 1 1 19 19 LYS CA C 13 53.972 0.073 . 1 . . . . 14 K CA . 18878 1 172 . 1 1 19 19 LYS CB C 13 35.248 0.070 . 1 . . . . 14 K CB . 18878 1 173 . 1 1 19 19 LYS CG C 13 24.599 0.071 . 1 . . . . 14 K CG . 18878 1 174 . 1 1 19 19 LYS CD C 13 27.838 0.051 . 1 . . . . 14 K CD . 18878 1 175 . 1 1 19 19 LYS CE C 13 43.319 0.044 . 1 . . . . 14 K CE . 18878 1 176 . 1 1 19 19 LYS N N 15 127.683 0.108 . 1 . . . . 14 K N . 18878 1 177 . 1 1 20 20 MET H H 1 8.689 0.003 . 1 . . . . 15 M H . 18878 1 178 . 1 1 20 20 MET HA H 1 4.640 0.004 . 1 . . . . 15 M HA . 18878 1 179 . 1 1 20 20 MET HB2 H 1 1.711 0.004 . 2 . . . . 15 M HB2 . 18878 1 180 . 1 1 20 20 MET HB3 H 1 1.895 0.004 . 2 . . . . 15 M HB3 . 18878 1 181 . 1 1 20 20 MET HG2 H 1 2.263 0.003 . 2 . . . . 15 M HG2 . 18878 1 182 . 1 1 20 20 MET HG3 H 1 2.162 0.003 . 2 . . . . 15 M HG3 . 18878 1 183 . 1 1 20 20 MET HE1 H 1 1.220 0.002 . 1 . . . . 15 M HE# . 18878 1 184 . 1 1 20 20 MET HE2 H 1 1.220 0.002 . 1 . . . . 15 M HE# . 18878 1 185 . 1 1 20 20 MET HE3 H 1 1.220 0.002 . 1 . . . . 15 M HE# . 18878 1 186 . 1 1 20 20 MET C C 13 175.747 0.000 . 1 . . . . 15 M C . 18878 1 187 . 1 1 20 20 MET CA C 13 53.566 0.032 . 1 . . . . 15 M CA . 18878 1 188 . 1 1 20 20 MET CB C 13 35.769 0.048 . 1 . . . . 15 M CB . 18878 1 189 . 1 1 20 20 MET CG C 13 31.760 0.053 . 1 . . . . 15 M CG . 18878 1 190 . 1 1 20 20 MET CE C 13 15.912 0.027 . 1 . . . . 15 M CE . 18878 1 191 . 1 1 20 20 MET N N 15 126.097 0.033 . 1 . . . . 15 M N . 18878 1 192 . 1 1 21 21 LYS H H 1 8.622 0.002 . 1 . . . . 16 K H . 18878 1 193 . 1 1 21 21 LYS HA H 1 4.051 0.004 . 1 . . . . 16 K HA . 18878 1 194 . 1 1 21 21 LYS HB2 H 1 1.742 0.000 . 2 . . . . 16 K HB2 . 18878 1 195 . 1 1 21 21 LYS HB3 H 1 1.802 0.002 . 2 . . . . 16 K HB3 . 18878 1 196 . 1 1 21 21 LYS HG2 H 1 1.501 0.001 . 2 . . . . 16 K HG2 . 18878 1 197 . 1 1 21 21 LYS HG3 H 1 1.360 0.000 . 2 . . . . 16 K HG3 . 18878 1 198 . 1 1 21 21 LYS HD2 H 1 1.698 0.000 . 2 . . . . 16 K HD# . 18878 1 199 . 1 1 21 21 LYS HD3 H 1 1.698 0.000 . 2 . . . . 16 K HD# . 18878 1 200 . 1 1 21 21 LYS C C 13 177.813 0.000 . 1 . . . . 16 K C . 18878 1 201 . 1 1 21 21 LYS CA C 13 58.516 0.044 . 1 . . . . 16 K CA . 18878 1 202 . 1 1 21 21 LYS CB C 13 32.054 0.077 . 1 . . . . 16 K CB . 18878 1 203 . 1 1 21 21 LYS CG C 13 24.754 0.049 . 1 . . . . 16 K CG . 18878 1 204 . 1 1 21 21 LYS CD C 13 29.389 0.002 . 1 . . . . 16 K CD . 18878 1 205 . 1 1 21 21 LYS CE C 13 42.139 0.026 . 1 . . . . 16 K CE . 18878 1 206 . 1 1 21 21 LYS N N 15 124.087 0.050 . 1 . . . . 16 K N . 18878 1 207 . 1 1 22 22 GLY H H 1 8.994 0.015 . 1 . . . . 17 G H . 18878 1 208 . 1 1 22 22 GLY HA2 H 1 4.061 0.009 . 2 . . . . 17 G HA2 . 18878 1 209 . 1 1 22 22 GLY HA3 H 1 3.618 0.003 . 2 . . . . 17 G HA3 . 18878 1 210 . 1 1 22 22 GLY C C 13 173.807 0.000 . 1 . . . . 17 G C . 18878 1 211 . 1 1 22 22 GLY CA C 13 45.201 0.047 . 1 . . . . 17 G CA . 18878 1 212 . 1 1 22 22 GLY N N 15 113.435 0.060 . 1 . . . . 17 G N . 18878 1 213 . 1 1 23 23 TYR H H 1 8.099 0.006 . 1 . . . . 18 Y H . 18878 1 214 . 1 1 23 23 TYR HA H 1 4.933 0.004 . 1 . . . . 18 Y HA . 18878 1 215 . 1 1 23 23 TYR HB2 H 1 3.211 0.001 . 2 . . . . 18 Y HB2 . 18878 1 216 . 1 1 23 23 TYR HB3 H 1 2.937 0.001 . 2 . . . . 18 Y HB3 . 18878 1 217 . 1 1 23 23 TYR HD1 H 1 6.959 0.006 . 3 . . . . 18 Y HD# . 18878 1 218 . 1 1 23 23 TYR HD2 H 1 6.959 0.006 . 3 . . . . 18 Y HD# . 18878 1 219 . 1 1 23 23 TYR HE1 H 1 6.616 0.002 . 3 . . . . 18 Y HE# . 18878 1 220 . 1 1 23 23 TYR HE2 H 1 6.616 0.002 . 3 . . . . 18 Y HE# . 18878 1 221 . 1 1 23 23 TYR CA C 13 55.700 0.043 . 1 . . . . 18 Y CA . 18878 1 222 . 1 1 23 23 TYR CB C 13 40.746 0.067 . 1 . . . . 18 Y CB . 18878 1 223 . 1 1 23 23 TYR CD1 C 13 132.755 0.000 . 3 . . . . 18 Y CD1 . 18878 1 224 . 1 1 23 23 TYR CE1 C 13 118.202 0.003 . 3 . . . . 18 Y CE1 . 18878 1 225 . 1 1 23 23 TYR N N 15 120.158 0.055 . 1 . . . . 18 Y N . 18878 1 226 . 1 1 24 24 PRO HA H 1 4.745 0.003 . 1 . . . . 19 P HA . 18878 1 227 . 1 1 24 24 PRO HB2 H 1 1.990 0.001 . 2 . . . . 19 P HB2 . 18878 1 228 . 1 1 24 24 PRO HB3 H 1 2.311 0.001 . 2 . . . . 19 P HB3 . 18878 1 229 . 1 1 24 24 PRO HG2 H 1 1.869 0.000 . 2 . . . . 19 P HG2 . 18878 1 230 . 1 1 24 24 PRO HG3 H 1 2.144 0.000 . 2 . . . . 19 P HG3 . 18878 1 231 . 1 1 24 24 PRO HD2 H 1 4.026 0.005 . 2 . . . . 19 P HD2 . 18878 1 232 . 1 1 24 24 PRO HD3 H 1 3.895 0.003 . 2 . . . . 19 P HD3 . 18878 1 233 . 1 1 24 24 PRO C C 13 176.874 0.000 . 1 . . . . 19 P C . 18878 1 234 . 1 1 24 24 PRO CA C 13 62.071 0.044 . 1 . . . . 19 P CA . 18878 1 235 . 1 1 24 24 PRO CB C 13 31.863 0.046 . 1 . . . . 19 P CB . 18878 1 236 . 1 1 24 24 PRO CG C 13 26.975 0.043 . 1 . . . . 19 P CG . 18878 1 237 . 1 1 24 24 PRO CD C 13 49.872 0.084 . 1 . . . . 19 P CD . 18878 1 238 . 1 1 25 25 HIS H H 1 8.146 0.004 . 1 . . . . 20 H H . 18878 1 239 . 1 1 25 25 HIS HA H 1 3.916 0.001 . 1 . . . . 20 H HA . 18878 1 240 . 1 1 25 25 HIS HB2 H 1 2.389 0.001 . 2 . . . . 20 H HB2 . 18878 1 241 . 1 1 25 25 HIS HB3 H 1 1.977 0.000 . 2 . . . . 20 H HB3 . 18878 1 242 . 1 1 25 25 HIS HD2 H 1 5.617 0.003 . 1 . . . . 20 H HD2 . 18878 1 243 . 1 1 25 25 HIS HE1 H 1 7.579 0.005 . 1 . . . . 20 H HE1 . 18878 1 244 . 1 1 25 25 HIS C C 13 175.919 0.000 . 1 . . . . 20 H C . 18878 1 245 . 1 1 25 25 HIS CA C 13 60.688 0.041 . 1 . . . . 20 H CA . 18878 1 246 . 1 1 25 25 HIS CB C 13 30.698 0.054 . 1 . . . . 20 H CB . 18878 1 247 . 1 1 25 25 HIS CD2 C 13 116.494 0.021 . 1 . . . . 20 H CD2 . 18878 1 248 . 1 1 25 25 HIS CE1 C 13 138.399 0.037 . 1 . . . . 20 H CE1 . 18878 1 249 . 1 1 25 25 HIS N N 15 119.115 0.052 . 1 . . . . 20 H N . 18878 1 250 . 1 1 26 26 TRP H H 1 9.200 0.010 . 1 . . . . 21 W H . 18878 1 251 . 1 1 26 26 TRP HA H 1 5.433 0.002 . 1 . . . . 21 W HA . 18878 1 252 . 1 1 26 26 TRP HB2 H 1 3.940 0.004 . 2 . . . . 21 W HB2 . 18878 1 253 . 1 1 26 26 TRP HB3 H 1 3.645 0.002 . 2 . . . . 21 W HB3 . 18878 1 254 . 1 1 26 26 TRP HD1 H 1 8.522 0.005 . 1 . . . . 21 W HD1 . 18878 1 255 . 1 1 26 26 TRP HE1 H 1 10.704 0.001 . 1 . . . . 21 W HE1 . 18878 1 256 . 1 1 26 26 TRP HE3 H 1 8.130 0.005 . 1 . . . . 21 W HE3 . 18878 1 257 . 1 1 26 26 TRP HZ2 H 1 7.386 0.003 . 1 . . . . 21 W HZ2 . 18878 1 258 . 1 1 26 26 TRP HZ3 H 1 7.105 0.006 . 1 . . . . 21 W HZ3 . 18878 1 259 . 1 1 26 26 TRP HH2 H 1 7.398 0.004 . 1 . . . . 21 W HH2 . 18878 1 260 . 1 1 26 26 TRP CA C 13 55.901 0.029 . 1 . . . . 21 W CA . 18878 1 261 . 1 1 26 26 TRP CB C 13 33.005 0.073 . 1 . . . . 21 W CB . 18878 1 262 . 1 1 26 26 TRP CD1 C 13 129.418 0.051 . 1 . . . . 21 W CD1 . 18878 1 263 . 1 1 26 26 TRP CE3 C 13 120.835 0.003 . 1 . . . . 21 W CE3 . 18878 1 264 . 1 1 26 26 TRP CZ2 C 13 115.196 0.023 . 1 . . . . 21 W CZ2 . 18878 1 265 . 1 1 26 26 TRP CZ3 C 13 120.583 0.017 . 1 . . . . 21 W CZ3 . 18878 1 266 . 1 1 26 26 TRP CH2 C 13 124.789 0.046 . 1 . . . . 21 W CH2 . 18878 1 267 . 1 1 26 26 TRP N N 15 127.387 0.011 . 1 . . . . 21 W N . 18878 1 268 . 1 1 26 26 TRP NE1 N 15 129.770 0.011 . 1 . . . . 21 W NE1 . 18878 1 269 . 1 1 27 27 PRO HA H 1 4.233 0.004 . 1 . . . . 22 P HA . 18878 1 270 . 1 1 27 27 PRO HB2 H 1 1.619 0.001 . 2 . . . . 22 P HB2 . 18878 1 271 . 1 1 27 27 PRO HB3 H 1 2.303 0.000 . 2 . . . . 22 P HB3 . 18878 1 272 . 1 1 27 27 PRO HG2 H 1 1.228 0.003 . 2 . . . . 22 P HG2 . 18878 1 273 . 1 1 27 27 PRO HG3 H 1 1.806 0.003 . 2 . . . . 22 P HG3 . 18878 1 274 . 1 1 27 27 PRO HD2 H 1 2.895 0.005 . 2 . . . . 22 P HD2 . 18878 1 275 . 1 1 27 27 PRO HD3 H 1 2.736 0.002 . 2 . . . . 22 P HD3 . 18878 1 276 . 1 1 27 27 PRO C C 13 175.223 0.000 . 1 . . . . 22 P C . 18878 1 277 . 1 1 27 27 PRO CA C 13 62.850 0.034 . 1 . . . . 22 P CA . 18878 1 278 . 1 1 27 27 PRO CB C 13 32.220 0.034 . 1 . . . . 22 P CB . 18878 1 279 . 1 1 27 27 PRO CG C 13 27.052 0.054 . 1 . . . . 22 P CG . 18878 1 280 . 1 1 27 27 PRO CD C 13 51.251 0.032 . 1 . . . . 22 P CD . 18878 1 281 . 1 1 28 28 ALA H H 1 9.365 0.003 . 1 . . . . 23 A H . 18878 1 282 . 1 1 28 28 ALA HA H 1 4.966 0.004 . 1 . . . . 23 A HA . 18878 1 283 . 1 1 28 28 ALA HB1 H 1 0.830 0.004 . 1 . . . . 23 A HB# . 18878 1 284 . 1 1 28 28 ALA HB2 H 1 0.830 0.004 . 1 . . . . 23 A HB# . 18878 1 285 . 1 1 28 28 ALA HB3 H 1 0.830 0.004 . 1 . . . . 23 A HB# . 18878 1 286 . 1 1 28 28 ALA C C 13 174.260 0.000 . 1 . . . . 23 A C . 18878 1 287 . 1 1 28 28 ALA CA C 13 52.507 0.030 . 1 . . . . 23 A CA . 18878 1 288 . 1 1 28 28 ALA CB C 13 23.250 0.066 . 1 . . . . 23 A CB . 18878 1 289 . 1 1 28 28 ALA N N 15 130.173 0.011 . 1 . . . . 23 A N . 18878 1 290 . 1 1 29 29 ARG H H 1 8.784 0.002 . 1 . . . . 24 R H . 18878 1 291 . 1 1 29 29 ARG HA H 1 5.416 0.003 . 1 . . . . 24 R HA . 18878 1 292 . 1 1 29 29 ARG HB2 H 1 1.617 0.005 . 2 . . . . 24 R HB2 . 18878 1 293 . 1 1 29 29 ARG HB3 H 1 1.556 0.004 . 2 . . . . 24 R HB3 . 18878 1 294 . 1 1 29 29 ARG HG2 H 1 1.416 0.001 . 2 . . . . 24 R HG2 . 18878 1 295 . 1 1 29 29 ARG HG3 H 1 1.242 0.008 . 2 . . . . 24 R HG3 . 18878 1 296 . 1 1 29 29 ARG HD2 H 1 3.116 0.002 . 2 . . . . 24 R HD2 . 18878 1 297 . 1 1 29 29 ARG HD3 H 1 3.003 0.008 . 2 . . . . 24 R HD3 . 18878 1 298 . 1 1 29 29 ARG C C 13 175.098 0.000 . 1 . . . . 24 R C . 18878 1 299 . 1 1 29 29 ARG CA C 13 53.634 0.038 . 1 . . . . 24 R CA . 18878 1 300 . 1 1 29 29 ARG CB C 13 35.026 0.033 . 1 . . . . 24 R CB . 18878 1 301 . 1 1 29 29 ARG CG C 13 27.117 0.051 . 1 . . . . 24 R CG . 18878 1 302 . 1 1 29 29 ARG CD C 13 43.353 0.082 . 1 . . . . 24 R CD . 18878 1 303 . 1 1 29 29 ARG N N 15 117.222 0.030 . 1 . . . . 24 R N . 18878 1 304 . 1 1 30 30 VAL H H 1 8.387 0.006 . 1 . . . . 25 V H . 18878 1 305 . 1 1 30 30 VAL HA H 1 4.076 0.002 . 1 . . . . 25 V HA . 18878 1 306 . 1 1 30 30 VAL HB H 1 2.226 0.005 . 1 . . . . 25 V HB . 18878 1 307 . 1 1 30 30 VAL HG11 H 1 0.746 0.002 . 2 . . . . 25 V QG1 . 18878 1 308 . 1 1 30 30 VAL HG12 H 1 0.746 0.002 . 2 . . . . 25 V QG1 . 18878 1 309 . 1 1 30 30 VAL HG13 H 1 0.746 0.002 . 2 . . . . 25 V QG1 . 18878 1 310 . 1 1 30 30 VAL HG21 H 1 0.824 0.002 . 2 . . . . 25 V QG2 . 18878 1 311 . 1 1 30 30 VAL HG22 H 1 0.824 0.002 . 2 . . . . 25 V QG2 . 18878 1 312 . 1 1 30 30 VAL HG23 H 1 0.824 0.002 . 2 . . . . 25 V QG2 . 18878 1 313 . 1 1 30 30 VAL C C 13 175.495 0.000 . 1 . . . . 25 V C . 18878 1 314 . 1 1 30 30 VAL CA C 13 62.920 0.071 . 1 . . . . 25 V CA . 18878 1 315 . 1 1 30 30 VAL CB C 13 31.055 0.056 . 1 . . . . 25 V CB . 18878 1 316 . 1 1 30 30 VAL CG1 C 13 21.794 0.014 . 2 . . . . 25 V CG1 . 18878 1 317 . 1 1 30 30 VAL CG2 C 13 21.764 0.036 . 2 . . . . 25 V CG2 . 18878 1 318 . 1 1 30 30 VAL N N 15 124.130 0.033 . 1 . . . . 25 V N . 18878 1 319 . 1 1 31 31 ASP H H 1 8.902 0.005 . 1 . . . . 26 D H . 18878 1 320 . 1 1 31 31 ASP HA H 1 5.193 0.003 . 1 . . . . 26 D HA . 18878 1 321 . 1 1 31 31 ASP HB2 H 1 2.188 0.003 . 2 . . . . 26 D HB2 . 18878 1 322 . 1 1 31 31 ASP HB3 H 1 2.697 0.002 . 2 . . . . 26 D HB3 . 18878 1 323 . 1 1 31 31 ASP C C 13 175.151 0.000 . 1 . . . . 26 D C . 18878 1 324 . 1 1 31 31 ASP CA C 13 52.994 0.084 . 1 . . . . 26 D CA . 18878 1 325 . 1 1 31 31 ASP CB C 13 44.217 0.081 . 1 . . . . 26 D CB . 18878 1 326 . 1 1 31 31 ASP N N 15 133.915 0.024 . 1 . . . . 26 D N . 18878 1 327 . 1 1 32 32 GLU H H 1 7.924 0.002 . 1 . . . . 27 E H . 18878 1 328 . 1 1 32 32 GLU HA H 1 4.415 0.004 . 1 . . . . 27 E HA . 18878 1 329 . 1 1 32 32 GLU HB2 H 1 1.745 0.003 . 2 . . . . 27 E HB2 . 18878 1 330 . 1 1 32 32 GLU HB3 H 1 1.913 0.004 . 2 . . . . 27 E HB3 . 18878 1 331 . 1 1 32 32 GLU HG2 H 1 2.150 0.003 . 2 . . . . 27 E QG . 18878 1 332 . 1 1 32 32 GLU HG3 H 1 2.150 0.003 . 2 . . . . 27 E QG . 18878 1 333 . 1 1 32 32 GLU C C 13 176.220 0.000 . 1 . . . . 27 E C . 18878 1 334 . 1 1 32 32 GLU CA C 13 55.358 0.086 . 1 . . . . 27 E CA . 18878 1 335 . 1 1 32 32 GLU CB C 13 31.687 0.041 . 1 . . . . 27 E CB . 18878 1 336 . 1 1 32 32 GLU CG C 13 36.218 0.020 . 1 . . . . 27 E CG . 18878 1 337 . 1 1 32 32 GLU N N 15 116.001 0.029 . 1 . . . . 27 E N . 18878 1 338 . 1 1 33 33 VAL H H 1 8.693 0.007 . 1 . . . . 28 V H . 18878 1 339 . 1 1 33 33 VAL HA H 1 4.284 0.003 . 1 . . . . 28 V HA . 18878 1 340 . 1 1 33 33 VAL HB H 1 2.104 0.003 . 1 . . . . 28 V HB . 18878 1 341 . 1 1 33 33 VAL HG11 H 1 1.046 0.007 . 2 . . . . 28 V QG1 . 18878 1 342 . 1 1 33 33 VAL HG12 H 1 1.046 0.007 . 2 . . . . 28 V QG1 . 18878 1 343 . 1 1 33 33 VAL HG13 H 1 1.046 0.007 . 2 . . . . 28 V QG1 . 18878 1 344 . 1 1 33 33 VAL HG21 H 1 1.042 0.000 . 2 . . . . 28 V QG2 . 18878 1 345 . 1 1 33 33 VAL HG22 H 1 1.042 0.000 . 2 . . . . 28 V QG2 . 18878 1 346 . 1 1 33 33 VAL HG23 H 1 1.042 0.000 . 2 . . . . 28 V QG2 . 18878 1 347 . 1 1 33 33 VAL CA C 13 60.367 0.041 . 1 . . . . 28 V CA . 18878 1 348 . 1 1 33 33 VAL CB C 13 32.306 0.035 . 1 . . . . 28 V CB . 18878 1 349 . 1 1 33 33 VAL CG1 C 13 21.462 0.060 . 2 . . . . 28 V CG1 . 18878 1 350 . 1 1 33 33 VAL CG2 C 13 21.619 0.000 . 2 . . . . 28 V CG2 . 18878 1 351 . 1 1 33 33 VAL N N 15 122.766 0.043 . 1 . . . . 28 V N . 18878 1 352 . 1 1 34 34 PRO HA H 1 4.430 0.002 . 1 . . . . 29 P HA . 18878 1 353 . 1 1 34 34 PRO HB2 H 1 2.304 0.002 . 2 . . . . 29 P HB2 . 18878 1 354 . 1 1 34 34 PRO HB3 H 1 1.901 0.002 . 2 . . . . 29 P HB3 . 18878 1 355 . 1 1 34 34 PRO HG2 H 1 1.999 0.000 . 2 . . . . 29 P QG . 18878 1 356 . 1 1 34 34 PRO HG3 H 1 1.999 0.000 . 2 . . . . 29 P QG . 18878 1 357 . 1 1 34 34 PRO HD2 H 1 3.878 0.003 . 2 . . . . 29 P HD2 . 18878 1 358 . 1 1 34 34 PRO HD3 H 1 3.627 0.002 . 2 . . . . 29 P HD3 . 18878 1 359 . 1 1 34 34 PRO C C 13 176.500 0.000 . 1 . . . . 29 P C . 18878 1 360 . 1 1 34 34 PRO CA C 13 62.818 0.038 . 1 . . . . 29 P CA . 18878 1 361 . 1 1 34 34 PRO CB C 13 32.410 0.027 . 1 . . . . 29 P CB . 18878 1 362 . 1 1 34 34 PRO CG C 13 27.403 0.041 . 1 . . . . 29 P CG . 18878 1 363 . 1 1 34 34 PRO CD C 13 51.058 0.073 . 1 . . . . 29 P CD . 18878 1 364 . 1 1 35 35 ASP H H 1 8.454 0.005 . 1 . . . . 30 D H . 18878 1 365 . 1 1 35 35 ASP HA H 1 4.424 0.002 . 1 . . . . 30 D HA . 18878 1 366 . 1 1 35 35 ASP HB2 H 1 2.607 0.003 . 2 . . . . 30 D HB# . 18878 1 367 . 1 1 35 35 ASP HB3 H 1 2.607 0.003 . 2 . . . . 30 D HB# . 18878 1 368 . 1 1 35 35 ASP C C 13 177.323 0.000 . 1 . . . . 30 D C . 18878 1 369 . 1 1 35 35 ASP CA C 13 55.693 0.045 . 1 . . . . 30 D CA . 18878 1 370 . 1 1 35 35 ASP CB C 13 40.952 0.022 . 1 . . . . 30 D CB . 18878 1 371 . 1 1 35 35 ASP N N 15 120.999 0.042 . 1 . . . . 30 D N . 18878 1 372 . 1 1 36 36 GLY H H 1 8.542 0.004 . 1 . . . . 31 G H . 18878 1 373 . 1 1 36 36 GLY HA2 H 1 3.776 0.007 . 2 . . . . 31 G HA2 . 18878 1 374 . 1 1 36 36 GLY HA3 H 1 4.094 0.003 . 2 . . . . 31 G HA3 . 18878 1 375 . 1 1 36 36 GLY C C 13 174.035 0.000 . 1 . . . . 31 G C . 18878 1 376 . 1 1 36 36 GLY CA C 13 45.397 0.049 . 1 . . . . 31 G CA . 18878 1 377 . 1 1 36 36 GLY N N 15 111.604 0.050 . 1 . . . . 31 G N . 18878 1 378 . 1 1 37 37 ALA H H 1 7.815 0.006 . 1 . . . . 32 A H . 18878 1 379 . 1 1 37 37 ALA HA H 1 4.389 0.003 . 1 . . . . 32 A HA . 18878 1 380 . 1 1 37 37 ALA HB1 H 1 1.421 0.001 . 1 . . . . 32 A HB# . 18878 1 381 . 1 1 37 37 ALA HB2 H 1 1.421 0.001 . 1 . . . . 32 A HB# . 18878 1 382 . 1 1 37 37 ALA HB3 H 1 1.421 0.001 . 1 . . . . 32 A HB# . 18878 1 383 . 1 1 37 37 ALA C C 13 177.608 0.000 . 1 . . . . 32 A C . 18878 1 384 . 1 1 37 37 ALA CA C 13 51.971 0.020 . 1 . . . . 32 A CA . 18878 1 385 . 1 1 37 37 ALA CB C 13 19.909 0.024 . 1 . . . . 32 A CB . 18878 1 386 . 1 1 37 37 ALA N N 15 122.909 0.012 . 1 . . . . 32 A N . 18878 1 387 . 1 1 38 38 VAL H H 1 8.023 0.005 . 1 . . . . 33 V H . 18878 1 388 . 1 1 38 38 VAL HA H 1 3.913 0.004 . 1 . . . . 33 V HA . 18878 1 389 . 1 1 38 38 VAL HB H 1 2.001 0.003 . 1 . . . . 33 V HB . 18878 1 390 . 1 1 38 38 VAL HG11 H 1 0.962 0.001 . 2 . . . . 33 V QG1 . 18878 1 391 . 1 1 38 38 VAL HG12 H 1 0.962 0.001 . 2 . . . . 33 V QG1 . 18878 1 392 . 1 1 38 38 VAL HG13 H 1 0.962 0.001 . 2 . . . . 33 V QG1 . 18878 1 393 . 1 1 38 38 VAL HG21 H 1 0.944 0.003 . 2 . . . . 33 V QG2 . 18878 1 394 . 1 1 38 38 VAL HG22 H 1 0.944 0.003 . 2 . . . . 33 V QG2 . 18878 1 395 . 1 1 38 38 VAL HG23 H 1 0.944 0.003 . 2 . . . . 33 V QG2 . 18878 1 396 . 1 1 38 38 VAL C C 13 175.521 0.000 . 1 . . . . 33 V C . 18878 1 397 . 1 1 38 38 VAL CA C 13 62.767 0.034 . 1 . . . . 33 V CA . 18878 1 398 . 1 1 38 38 VAL CB C 13 32.323 0.033 . 1 . . . . 33 V CB . 18878 1 399 . 1 1 38 38 VAL CG1 C 13 21.119 0.022 . 2 . . . . 33 V CG1 . 18878 1 400 . 1 1 38 38 VAL CG2 C 13 21.188 0.039 . 2 . . . . 33 V CG2 . 18878 1 401 . 1 1 38 38 VAL N N 15 119.620 0.057 . 1 . . . . 33 V N . 18878 1 402 . 1 1 39 39 LYS H H 1 8.286 0.002 . 1 . . . . 34 K H . 18878 1 403 . 1 1 39 39 LYS HA H 1 4.405 0.002 . 1 . . . . 34 K HA . 18878 1 404 . 1 1 39 39 LYS HB2 H 1 1.652 0.004 . 2 . . . . 34 K HB2 . 18878 1 405 . 1 1 39 39 LYS HB3 H 1 1.766 0.004 . 2 . . . . 34 K HB3 . 18878 1 406 . 1 1 39 39 LYS HG2 H 1 1.506 0.000 . 2 . . . . 34 K HG2 . 18878 1 407 . 1 1 39 39 LYS HG3 H 1 1.438 0.000 . 2 . . . . 34 K HG3 . 18878 1 408 . 1 1 39 39 LYS HD2 H 1 1.659 0.000 . 2 . . . . 34 K HD# . 18878 1 409 . 1 1 39 39 LYS HD3 H 1 1.659 0.000 . 2 . . . . 34 K HD# . 18878 1 410 . 1 1 39 39 LYS HE2 H 1 2.998 0.000 . 2 . . . . 34 K HE# . 18878 1 411 . 1 1 39 39 LYS HE3 H 1 2.998 0.000 . 2 . . . . 34 K HE# . 18878 1 412 . 1 1 39 39 LYS CA C 13 54.248 0.070 . 1 . . . . 34 K CA . 18878 1 413 . 1 1 39 39 LYS CB C 13 32.042 0.061 . 1 . . . . 34 K CB . 18878 1 414 . 1 1 39 39 LYS CG C 13 24.860 0.007 . 1 . . . . 34 K CG . 18878 1 415 . 1 1 39 39 LYS CD C 13 29.066 0.009 . 1 . . . . 34 K CD . 18878 1 416 . 1 1 39 39 LYS CE C 13 42.255 0.031 . 1 . . . . 34 K CE . 18878 1 417 . 1 1 39 39 LYS N N 15 125.740 0.034 . 1 . . . . 34 K N . 18878 1 418 . 1 1 40 40 PRO HA H 1 3.961 0.000 . 1 . . . . 35 P HA . 18878 1 419 . 1 1 40 40 PRO HB2 H 1 1.716 0.002 . 2 . . . . 35 P HB2 . 18878 1 420 . 1 1 40 40 PRO HB3 H 1 1.629 0.000 . 2 . . . . 35 P HB3 . 18878 1 421 . 1 1 40 40 PRO HG2 H 1 1.753 0.000 . 2 . . . . 35 P HG2 . 18878 1 422 . 1 1 40 40 PRO HG3 H 1 1.984 0.000 . 2 . . . . 35 P HG3 . 18878 1 423 . 1 1 40 40 PRO HD2 H 1 3.595 0.000 . 2 . . . . 35 P HD2 . 18878 1 424 . 1 1 40 40 PRO HD3 H 1 3.666 0.001 . 2 . . . . 35 P HD3 . 18878 1 425 . 1 1 40 40 PRO CA C 13 60.950 0.011 . 1 . . . . 35 P CA . 18878 1 426 . 1 1 40 40 PRO CB C 13 30.379 0.026 . 1 . . . . 35 P CB . 18878 1 427 . 1 1 40 40 PRO CG C 13 27.268 0.021 . 1 . . . . 35 P CG . 18878 1 428 . 1 1 40 40 PRO CD C 13 50.357 0.043 . 1 . . . . 35 P CD . 18878 1 429 . 1 1 41 41 PRO HA H 1 4.373 0.004 . 1 . . . . 36 P HA . 18878 1 430 . 1 1 41 41 PRO HB2 H 1 1.649 0.002 . 2 . . . . 36 P HB2 . 18878 1 431 . 1 1 41 41 PRO HB3 H 1 2.255 0.001 . 2 . . . . 36 P HB3 . 18878 1 432 . 1 1 41 41 PRO HG2 H 1 1.711 0.001 . 2 . . . . 36 P HG2 . 18878 1 433 . 1 1 41 41 PRO HG3 H 1 1.810 0.002 . 2 . . . . 36 P HG3 . 18878 1 434 . 1 1 41 41 PRO HD2 H 1 3.201 0.003 . 2 . . . . 36 P HD2 . 18878 1 435 . 1 1 41 41 PRO HD3 H 1 2.668 0.003 . 2 . . . . 36 P HD3 . 18878 1 436 . 1 1 41 41 PRO C C 13 175.972 0.000 . 1 . . . . 36 P C . 18878 1 437 . 1 1 41 41 PRO CA C 13 62.379 0.040 . 1 . . . . 36 P CA . 18878 1 438 . 1 1 41 41 PRO CB C 13 32.010 0.052 . 1 . . . . 36 P CB . 18878 1 439 . 1 1 41 41 PRO CG C 13 27.456 0.035 . 1 . . . . 36 P CG . 18878 1 440 . 1 1 41 41 PRO CD C 13 49.901 0.034 . 1 . . . . 36 P CD . 18878 1 441 . 1 1 42 42 THR H H 1 8.080 0.003 . 1 . . . . 37 T H . 18878 1 442 . 1 1 42 42 THR HA H 1 3.956 0.003 . 1 . . . . 37 T HA . 18878 1 443 . 1 1 42 42 THR HB H 1 4.029 0.003 . 1 . . . . 37 T HB . 18878 1 444 . 1 1 42 42 THR HG21 H 1 1.219 0.004 . 1 . . . . 37 T QG2 . 18878 1 445 . 1 1 42 42 THR HG22 H 1 1.219 0.004 . 1 . . . . 37 T QG2 . 18878 1 446 . 1 1 42 42 THR HG23 H 1 1.219 0.004 . 1 . . . . 37 T QG2 . 18878 1 447 . 1 1 42 42 THR C C 13 174.709 0.000 . 1 . . . . 37 T C . 18878 1 448 . 1 1 42 42 THR CA C 13 63.620 0.088 . 1 . . . . 37 T CA . 18878 1 449 . 1 1 42 42 THR CB C 13 69.360 0.032 . 1 . . . . 37 T CB . 18878 1 450 . 1 1 42 42 THR CG2 C 13 21.843 0.058 . 1 . . . . 37 T CG2 . 18878 1 451 . 1 1 42 42 THR N N 15 113.992 0.039 . 1 . . . . 37 T N . 18878 1 452 . 1 1 43 43 ASN H H 1 8.747 0.004 . 1 . . . . 38 N H . 18878 1 453 . 1 1 43 43 ASN HA H 1 4.500 0.004 . 1 . . . . 38 N HA . 18878 1 454 . 1 1 43 43 ASN HB2 H 1 2.994 0.003 . 2 . . . . 38 N HB# . 18878 1 455 . 1 1 43 43 ASN HB3 H 1 2.994 0.003 . 2 . . . . 38 N HB# . 18878 1 456 . 1 1 43 43 ASN HD21 H 1 7.596 0.002 . 2 . . . . 38 N HD21 . 18878 1 457 . 1 1 43 43 ASN HD22 H 1 6.901 0.001 . 2 . . . . 38 N HD22 . 18878 1 458 . 1 1 43 43 ASN C C 13 174.279 0.000 . 1 . . . . 38 N C . 18878 1 459 . 1 1 43 43 ASN CA C 13 53.993 0.020 . 1 . . . . 38 N CA . 18878 1 460 . 1 1 43 43 ASN CB C 13 37.649 0.017 . 1 . . . . 38 N CB . 18878 1 461 . 1 1 43 43 ASN N N 15 118.640 0.040 . 1 . . . . 38 N N . 18878 1 462 . 1 1 43 43 ASN ND2 N 15 112.301 0.037 . 1 . . . . 38 N ND2 . 18878 1 463 . 1 1 44 44 LYS H H 1 7.700 0.002 . 1 . . . . 39 K H . 18878 1 464 . 1 1 44 44 LYS HA H 1 4.697 0.004 . 1 . . . . 39 K HA . 18878 1 465 . 1 1 44 44 LYS HB2 H 1 1.443 0.003 . 2 . . . . 39 K HB2 . 18878 1 466 . 1 1 44 44 LYS HB3 H 1 1.562 0.003 . 2 . . . . 39 K HB3 . 18878 1 467 . 1 1 44 44 LYS HG2 H 1 1.099 0.002 . 2 . . . . 39 K HG2 . 18878 1 468 . 1 1 44 44 LYS HG3 H 1 1.348 0.003 . 2 . . . . 39 K HG3 . 18878 1 469 . 1 1 44 44 LYS HD2 H 1 1.307 0.004 . 2 . . . . 39 K HD2 . 18878 1 470 . 1 1 44 44 LYS HD3 H 1 1.454 0.001 . 2 . . . . 39 K HD3 . 18878 1 471 . 1 1 44 44 LYS HE2 H 1 2.922 0.003 . 2 . . . . 39 K HE# . 18878 1 472 . 1 1 44 44 LYS HE3 H 1 2.922 0.003 . 2 . . . . 39 K HE# . 18878 1 473 . 1 1 44 44 LYS C C 13 174.492 0.000 . 1 . . . . 39 K C . 18878 1 474 . 1 1 44 44 LYS CA C 13 54.909 0.045 . 1 . . . . 39 K CA . 18878 1 475 . 1 1 44 44 LYS CB C 13 36.538 0.052 . 1 . . . . 39 K CB . 18878 1 476 . 1 1 44 44 LYS CG C 13 25.662 0.079 . 1 . . . . 39 K CG . 18878 1 477 . 1 1 44 44 LYS CD C 13 29.335 0.037 . 1 . . . . 39 K CD . 18878 1 478 . 1 1 44 44 LYS CE C 13 42.445 0.057 . 1 . . . . 39 K CE . 18878 1 479 . 1 1 44 44 LYS N N 15 115.958 0.040 . 1 . . . . 39 K N . 18878 1 480 . 1 1 45 45 LEU H H 1 9.054 0.005 . 1 . . . . 40 L H . 18878 1 481 . 1 1 45 45 LEU HA H 1 4.972 0.003 . 1 . . . . 40 L HA . 18878 1 482 . 1 1 45 45 LEU HB2 H 1 1.467 0.003 . 2 . . . . 40 L HB2 . 18878 1 483 . 1 1 45 45 LEU HB3 H 1 1.276 0.003 . 2 . . . . 40 L HB3 . 18878 1 484 . 1 1 45 45 LEU HG H 1 1.600 0.001 . 1 . . . . 40 L HG . 18878 1 485 . 1 1 45 45 LEU HD11 H 1 0.917 0.002 . 2 . . . . 40 L QD1 . 18878 1 486 . 1 1 45 45 LEU HD12 H 1 0.917 0.002 . 2 . . . . 40 L QD1 . 18878 1 487 . 1 1 45 45 LEU HD13 H 1 0.917 0.002 . 2 . . . . 40 L QD1 . 18878 1 488 . 1 1 45 45 LEU HD21 H 1 0.811 0.002 . 2 . . . . 40 L QD2 . 18878 1 489 . 1 1 45 45 LEU HD22 H 1 0.811 0.002 . 2 . . . . 40 L QD2 . 18878 1 490 . 1 1 45 45 LEU HD23 H 1 0.811 0.002 . 2 . . . . 40 L QD2 . 18878 1 491 . 1 1 45 45 LEU CA C 13 51.929 0.053 . 1 . . . . 40 L CA . 18878 1 492 . 1 1 45 45 LEU CB C 13 44.395 0.032 . 1 . . . . 40 L CB . 18878 1 493 . 1 1 45 45 LEU CG C 13 27.817 0.051 . 1 . . . . 40 L CG . 18878 1 494 . 1 1 45 45 LEU CD1 C 13 24.402 0.029 . 2 . . . . 40 L CD1 . 18878 1 495 . 1 1 45 45 LEU CD2 C 13 25.859 0.055 . 2 . . . . 40 L CD2 . 18878 1 496 . 1 1 45 45 LEU N N 15 121.113 0.033 . 1 . . . . 40 L N . 18878 1 497 . 1 1 46 46 PRO HA H 1 4.376 0.004 . 1 . . . . 41 P HA . 18878 1 498 . 1 1 46 46 PRO HB2 H 1 1.858 0.001 . 2 . . . . 41 P HB# . 18878 1 499 . 1 1 46 46 PRO HB3 H 1 1.858 0.001 . 2 . . . . 41 P HB# . 18878 1 500 . 1 1 46 46 PRO HG2 H 1 2.286 0.002 . 2 . . . . 41 P HG2 . 18878 1 501 . 1 1 46 46 PRO HG3 H 1 1.825 0.002 . 2 . . . . 41 P HG3 . 18878 1 502 . 1 1 46 46 PRO HD2 H 1 3.712 0.002 . 2 . . . . 41 P HD2 . 18878 1 503 . 1 1 46 46 PRO HD3 H 1 3.831 0.003 . 2 . . . . 41 P HD3 . 18878 1 504 . 1 1 46 46 PRO C C 13 174.433 0.000 . 1 . . . . 41 P C . 18878 1 505 . 1 1 46 46 PRO CA C 13 61.968 0.071 . 1 . . . . 41 P CA . 18878 1 506 . 1 1 46 46 PRO CB C 13 30.604 0.034 . 1 . . . . 41 P CB . 18878 1 507 . 1 1 46 46 PRO CG C 13 27.683 0.094 . 1 . . . . 41 P CG . 18878 1 508 . 1 1 46 46 PRO CD C 13 50.098 0.053 . 1 . . . . 41 P CD . 18878 1 509 . 1 1 47 47 ILE H H 1 8.895 0.004 . 1 . . . . 42 I H . 18878 1 510 . 1 1 47 47 ILE HA H 1 4.538 0.003 . 1 . . . . 42 I HA . 18878 1 511 . 1 1 47 47 ILE HB H 1 1.755 0.005 . 1 . . . . 42 I HB . 18878 1 512 . 1 1 47 47 ILE HG12 H 1 1.800 0.004 . 2 . . . . 42 I HG12 . 18878 1 513 . 1 1 47 47 ILE HG13 H 1 0.795 0.004 . 2 . . . . 42 I HG13 . 18878 1 514 . 1 1 47 47 ILE HG21 H 1 0.002 0.004 . 1 . . . . 42 I QG2 . 18878 1 515 . 1 1 47 47 ILE HG22 H 1 0.002 0.004 . 1 . . . . 42 I QG2 . 18878 1 516 . 1 1 47 47 ILE HG23 H 1 0.002 0.004 . 1 . . . . 42 I QG2 . 18878 1 517 . 1 1 47 47 ILE HD11 H 1 0.373 0.003 . 1 . . . . 42 I QD1 . 18878 1 518 . 1 1 47 47 ILE HD12 H 1 0.373 0.003 . 1 . . . . 42 I QD1 . 18878 1 519 . 1 1 47 47 ILE HD13 H 1 0.373 0.003 . 1 . . . . 42 I QD1 . 18878 1 520 . 1 1 47 47 ILE C C 13 174.485 0.000 . 1 . . . . 42 I C . 18878 1 521 . 1 1 47 47 ILE CA C 13 57.074 0.046 . 1 . . . . 42 I CA . 18878 1 522 . 1 1 47 47 ILE CB C 13 37.355 0.054 . 1 . . . . 42 I CB . 18878 1 523 . 1 1 47 47 ILE CG1 C 13 27.444 0.080 . 1 . . . . 42 I CG1 . 18878 1 524 . 1 1 47 47 ILE CG2 C 13 19.871 0.046 . 1 . . . . 42 I CG2 . 18878 1 525 . 1 1 47 47 ILE CD1 C 13 10.564 0.055 . 1 . . . . 42 I CD1 . 18878 1 526 . 1 1 47 47 ILE N N 15 126.130 0.027 . 1 . . . . 42 I N . 18878 1 527 . 1 1 48 48 PHE H H 1 8.731 0.004 . 1 . . . . 43 F H . 18878 1 528 . 1 1 48 48 PHE HA H 1 4.817 0.001 . 1 . . . . 43 F HA . 18878 1 529 . 1 1 48 48 PHE HB2 H 1 2.445 0.003 . 2 . . . . 43 F HB2 . 18878 1 530 . 1 1 48 48 PHE HB3 H 1 2.853 0.001 . 2 . . . . 43 F HB3 . 18878 1 531 . 1 1 48 48 PHE HD1 H 1 6.371 0.003 . 3 . . . . 43 F HD# . 18878 1 532 . 1 1 48 48 PHE HD2 H 1 6.371 0.003 . 3 . . . . 43 F HD# . 18878 1 533 . 1 1 48 48 PHE HE1 H 1 6.882 0.005 . 3 . . . . 43 F HE# . 18878 1 534 . 1 1 48 48 PHE HE2 H 1 6.882 0.005 . 3 . . . . 43 F HE# . 18878 1 535 . 1 1 48 48 PHE HZ H 1 6.566 0.004 . 1 . . . . 43 F HZ . 18878 1 536 . 1 1 48 48 PHE C C 13 173.604 0.000 . 1 . . . . 43 F C . 18878 1 537 . 1 1 48 48 PHE CA C 13 56.018 0.049 . 1 . . . . 43 F CA . 18878 1 538 . 1 1 48 48 PHE CB C 13 41.212 0.026 . 1 . . . . 43 F CB . 18878 1 539 . 1 1 48 48 PHE CD1 C 13 132.084 0.030 . 3 . . . . 43 F CD1 . 18878 1 540 . 1 1 48 48 PHE CE1 C 13 130.302 0.017 . 3 . . . . 43 F CE1 . 18878 1 541 . 1 1 48 48 PHE CZ C 13 127.877 0.000 . 1 . . . . 43 F CZ . 18878 1 542 . 1 1 48 48 PHE N N 15 128.195 0.031 . 1 . . . . 43 F N . 18878 1 543 . 1 1 49 49 PHE H H 1 8.546 0.007 . 1 . . . . 44 F H . 18878 1 544 . 1 1 49 49 PHE HA H 1 4.186 0.001 . 1 . . . . 44 F HA . 18878 1 545 . 1 1 49 49 PHE HB2 H 1 2.393 0.000 . 2 . . . . 44 F HB# . 18878 1 546 . 1 1 49 49 PHE HB3 H 1 2.393 0.000 . 2 . . . . 44 F HB# . 18878 1 547 . 1 1 49 49 PHE HD1 H 1 6.795 0.006 . 3 . . . . 44 F HD# . 18878 1 548 . 1 1 49 49 PHE HD2 H 1 6.795 0.006 . 3 . . . . 44 F HD# . 18878 1 549 . 1 1 49 49 PHE HE1 H 1 6.814 0.005 . 3 . . . . 44 F HE# . 18878 1 550 . 1 1 49 49 PHE HE2 H 1 6.814 0.005 . 3 . . . . 44 F HE# . 18878 1 551 . 1 1 49 49 PHE HZ H 1 6.730 0.003 . 1 . . . . 44 F HZ . 18878 1 552 . 1 1 49 49 PHE C C 13 175.694 0.000 . 1 . . . . 44 F C . 18878 1 553 . 1 1 49 49 PHE CA C 13 57.357 0.017 . 1 . . . . 44 F CA . 18878 1 554 . 1 1 49 49 PHE CB C 13 38.938 0.075 . 1 . . . . 44 F CB . 18878 1 555 . 1 1 49 49 PHE CD1 C 13 131.526 0.083 . 3 . . . . 44 F CD1 . 18878 1 556 . 1 1 49 49 PHE CE1 C 13 130.267 0.001 . 3 . . . . 44 F CE1 . 18878 1 557 . 1 1 49 49 PHE CZ C 13 128.484 0.001 . 1 . . . . 44 F CZ . 18878 1 558 . 1 1 49 49 PHE N N 15 126.082 0.019 . 1 . . . . 44 F N . 18878 1 559 . 1 1 50 50 PHE H H 1 8.598 0.004 . 1 . . . . 45 F H . 18878 1 560 . 1 1 50 50 PHE HA H 1 4.435 0.004 . 1 . . . . 45 F HA . 18878 1 561 . 1 1 50 50 PHE HB2 H 1 3.923 0.005 . 2 . . . . 45 F HB2 . 18878 1 562 . 1 1 50 50 PHE HB3 H 1 2.532 0.005 . 2 . . . . 45 F HB3 . 18878 1 563 . 1 1 50 50 PHE HD1 H 1 7.398 0.004 . 3 . . . . 45 F HD# . 18878 1 564 . 1 1 50 50 PHE HD2 H 1 7.398 0.004 . 3 . . . . 45 F HD# . 18878 1 565 . 1 1 50 50 PHE HE1 H 1 7.298 0.003 . 3 . . . . 45 F HE# . 18878 1 566 . 1 1 50 50 PHE HE2 H 1 7.298 0.003 . 3 . . . . 45 F HE# . 18878 1 567 . 1 1 50 50 PHE HZ H 1 7.503 0.007 . 1 . . . . 45 F HZ . 18878 1 568 . 1 1 50 50 PHE C C 13 177.496 0.000 . 1 . . . . 45 F C . 18878 1 569 . 1 1 50 50 PHE CA C 13 60.300 0.031 . 1 . . . . 45 F CA . 18878 1 570 . 1 1 50 50 PHE CB C 13 39.735 0.032 . 1 . . . . 45 F CB . 18878 1 571 . 1 1 50 50 PHE CZ C 13 129.678 0.005 . 1 . . . . 45 F CZ . 18878 1 572 . 1 1 50 50 PHE N N 15 122.181 0.015 . 1 . . . . 45 F N . 18878 1 573 . 1 1 51 51 GLY H H 1 10.220 0.004 . 1 . . . . 46 G H . 18878 1 574 . 1 1 51 51 GLY HA2 H 1 2.995 0.005 . 2 . . . . 46 G HA2 . 18878 1 575 . 1 1 51 51 GLY HA3 H 1 5.239 0.005 . 2 . . . . 46 G HA3 . 18878 1 576 . 1 1 51 51 GLY C C 13 175.736 0.000 . 1 . . . . 46 G C . 18878 1 577 . 1 1 51 51 GLY CA C 13 46.824 0.016 . 1 . . . . 46 G CA . 18878 1 578 . 1 1 51 51 GLY N N 15 113.884 0.015 . 1 . . . . 46 G N . 18878 1 579 . 1 1 52 52 THR H H 1 7.849 0.005 . 1 . . . . 47 T H . 18878 1 580 . 1 1 52 52 THR HA H 1 3.952 0.002 . 1 . . . . 47 T HA . 18878 1 581 . 1 1 52 52 THR HB H 1 3.964 0.004 . 1 . . . . 47 T HB . 18878 1 582 . 1 1 52 52 THR HG21 H 1 1.174 0.004 . 1 . . . . 47 T QG2 . 18878 1 583 . 1 1 52 52 THR HG22 H 1 1.174 0.004 . 1 . . . . 47 T QG2 . 18878 1 584 . 1 1 52 52 THR HG23 H 1 1.174 0.004 . 1 . . . . 47 T QG2 . 18878 1 585 . 1 1 52 52 THR C C 13 176.039 0.000 . 1 . . . . 47 T C . 18878 1 586 . 1 1 52 52 THR CA C 13 62.087 0.022 . 1 . . . . 47 T CA . 18878 1 587 . 1 1 52 52 THR CB C 13 68.317 0.055 . 1 . . . . 47 T CB . 18878 1 588 . 1 1 52 52 THR CG2 C 13 23.461 0.030 . 1 . . . . 47 T CG2 . 18878 1 589 . 1 1 52 52 THR N N 15 111.359 0.029 . 1 . . . . 47 T N . 18878 1 590 . 1 1 53 53 HIS H H 1 7.733 0.002 . 1 . . . . 48 H H . 18878 1 591 . 1 1 53 53 HIS HA H 1 3.710 0.003 . 1 . . . . 48 H HA . 18878 1 592 . 1 1 53 53 HIS HB2 H 1 3.219 0.005 . 2 . . . . 48 H HB2 . 18878 1 593 . 1 1 53 53 HIS HB3 H 1 3.552 0.003 . 2 . . . . 48 H HB3 . 18878 1 594 . 1 1 53 53 HIS HD2 H 1 7.061 0.005 . 1 . . . . 48 H HD2 . 18878 1 595 . 1 1 53 53 HIS HE1 H 1 8.532 0.004 . 1 . . . . 48 H HE1 . 18878 1 596 . 1 1 53 53 HIS C C 13 173.468 0.000 . 1 . . . . 48 H C . 18878 1 597 . 1 1 53 53 HIS CA C 13 54.671 0.039 . 1 . . . . 48 H CA . 18878 1 598 . 1 1 53 53 HIS CB C 13 26.001 0.048 . 1 . . . . 48 H CB . 18878 1 599 . 1 1 53 53 HIS CD2 C 13 117.214 0.060 . 1 . . . . 48 H CD2 . 18878 1 600 . 1 1 53 53 HIS CE1 C 13 135.960 0.000 . 1 . . . . 48 H CE1 . 18878 1 601 . 1 1 53 53 HIS N N 15 114.833 0.043 . 1 . . . . 48 H N . 18878 1 602 . 1 1 54 54 GLU H H 1 6.740 0.005 . 1 . . . . 49 E H . 18878 1 603 . 1 1 54 54 GLU HA H 1 4.304 0.006 . 1 . . . . 49 E HA . 18878 1 604 . 1 1 54 54 GLU HB2 H 1 1.334 0.003 . 2 . . . . 49 E HB2 . 18878 1 605 . 1 1 54 54 GLU HB3 H 1 1.713 0.003 . 2 . . . . 49 E HB3 . 18878 1 606 . 1 1 54 54 GLU HG2 H 1 1.935 0.003 . 2 . . . . 49 E QG . 18878 1 607 . 1 1 54 54 GLU HG3 H 1 1.935 0.003 . 2 . . . . 49 E QG . 18878 1 608 . 1 1 54 54 GLU C C 13 174.527 0.000 . 1 . . . . 49 E C . 18878 1 609 . 1 1 54 54 GLU CA C 13 55.399 0.082 . 1 . . . . 49 E CA . 18878 1 610 . 1 1 54 54 GLU CB C 13 31.564 0.038 . 1 . . . . 49 E CB . 18878 1 611 . 1 1 54 54 GLU CG C 13 36.362 0.014 . 1 . . . . 49 E CG . 18878 1 612 . 1 1 54 54 GLU N N 15 117.550 0.033 . 1 . . . . 49 E N . 18878 1 613 . 1 1 55 55 THR H H 1 8.145 0.002 . 1 . . . . 50 T H . 18878 1 614 . 1 1 55 55 THR HA H 1 5.632 0.006 . 1 . . . . 50 T HA . 18878 1 615 . 1 1 55 55 THR HB H 1 4.003 0.003 . 1 . . . . 50 T HB . 18878 1 616 . 1 1 55 55 THR HG21 H 1 1.064 0.000 . 1 . . . . 50 T QG2 . 18878 1 617 . 1 1 55 55 THR HG22 H 1 1.064 0.000 . 1 . . . . 50 T QG2 . 18878 1 618 . 1 1 55 55 THR HG23 H 1 1.064 0.000 . 1 . . . . 50 T QG2 . 18878 1 619 . 1 1 55 55 THR C C 13 174.198 0.000 . 1 . . . . 50 T C . 18878 1 620 . 1 1 55 55 THR CA C 13 59.947 0.012 . 1 . . . . 50 T CA . 18878 1 621 . 1 1 55 55 THR CB C 13 71.748 0.038 . 1 . . . . 50 T CB . 18878 1 622 . 1 1 55 55 THR CG2 C 13 21.471 0.005 . 1 . . . . 50 T CG2 . 18878 1 623 . 1 1 55 55 THR N N 15 111.505 0.060 . 1 . . . . 50 T N . 18878 1 624 . 1 1 56 56 ALA H H 1 8.771 0.005 . 1 . . . . 51 A H . 18878 1 625 . 1 1 56 56 ALA HA H 1 4.387 0.004 . 1 . . . . 51 A HA . 18878 1 626 . 1 1 56 56 ALA HB1 H 1 1.252 0.002 . 1 . . . . 51 A HB# . 18878 1 627 . 1 1 56 56 ALA HB2 H 1 1.252 0.002 . 1 . . . . 51 A HB# . 18878 1 628 . 1 1 56 56 ALA HB3 H 1 1.252 0.002 . 1 . . . . 51 A HB# . 18878 1 629 . 1 1 56 56 ALA C C 13 174.888 0.000 . 1 . . . . 51 A C . 18878 1 630 . 1 1 56 56 ALA CA C 13 51.019 0.055 . 1 . . . . 51 A CA . 18878 1 631 . 1 1 56 56 ALA CB C 13 23.260 0.036 . 1 . . . . 51 A CB . 18878 1 632 . 1 1 56 56 ALA N N 15 124.743 0.036 . 1 . . . . 51 A N . 18878 1 633 . 1 1 57 57 PHE H H 1 8.516 0.006 . 1 . . . . 52 F H . 18878 1 634 . 1 1 57 57 PHE HA H 1 5.662 0.005 . 1 . . . . 52 F HA . 18878 1 635 . 1 1 57 57 PHE HB2 H 1 2.939 0.005 . 2 . . . . 52 F HB2 . 18878 1 636 . 1 1 57 57 PHE HB3 H 1 2.610 0.004 . 2 . . . . 52 F HB3 . 18878 1 637 . 1 1 57 57 PHE HD1 H 1 7.053 0.004 . 3 . . . . 52 F HD# . 18878 1 638 . 1 1 57 57 PHE HD2 H 1 7.053 0.004 . 3 . . . . 52 F HD# . 18878 1 639 . 1 1 57 57 PHE HE1 H 1 7.243 0.012 . 3 . . . . 52 F HE# . 18878 1 640 . 1 1 57 57 PHE HE2 H 1 7.243 0.012 . 3 . . . . 52 F HE# . 18878 1 641 . 1 1 57 57 PHE C C 13 175.547 0.000 . 1 . . . . 52 F C . 18878 1 642 . 1 1 57 57 PHE CA C 13 55.972 0.064 . 1 . . . . 52 F CA . 18878 1 643 . 1 1 57 57 PHE CB C 13 39.964 0.117 . 1 . . . . 52 F CB . 18878 1 644 . 1 1 57 57 PHE CD1 C 13 131.346 0.024 . 3 . . . . 52 F CD1 . 18878 1 645 . 1 1 57 57 PHE CE1 C 13 131.594 0.000 . 3 . . . . 52 F CE1 . 18878 1 646 . 1 1 57 57 PHE N N 15 118.078 0.014 . 1 . . . . 52 F N . 18878 1 647 . 1 1 58 58 LEU H H 1 8.551 0.003 . 1 . . . . 53 L H . 18878 1 648 . 1 1 58 58 LEU HA H 1 4.921 0.003 . 1 . . . . 53 L HA . 18878 1 649 . 1 1 58 58 LEU HB2 H 1 1.397 0.003 . 2 . . . . 53 L HB2 . 18878 1 650 . 1 1 58 58 LEU HB3 H 1 1.780 0.003 . 2 . . . . 53 L HB3 . 18878 1 651 . 1 1 58 58 LEU HG H 1 1.544 0.002 . 1 . . . . 53 L HG . 18878 1 652 . 1 1 58 58 LEU HD11 H 1 0.827 0.005 . 2 . . . . 53 L QD1 . 18878 1 653 . 1 1 58 58 LEU HD12 H 1 0.827 0.005 . 2 . . . . 53 L QD1 . 18878 1 654 . 1 1 58 58 LEU HD13 H 1 0.827 0.005 . 2 . . . . 53 L QD1 . 18878 1 655 . 1 1 58 58 LEU HD21 H 1 1.023 0.002 . 2 . . . . 53 L QD2 . 18878 1 656 . 1 1 58 58 LEU HD22 H 1 1.023 0.002 . 2 . . . . 53 L QD2 . 18878 1 657 . 1 1 58 58 LEU HD23 H 1 1.023 0.002 . 2 . . . . 53 L QD2 . 18878 1 658 . 1 1 58 58 LEU C C 13 175.895 0.000 . 1 . . . . 53 L C . 18878 1 659 . 1 1 58 58 LEU CA C 13 53.488 0.019 . 1 . . . . 53 L CA . 18878 1 660 . 1 1 58 58 LEU CB C 13 46.585 0.031 . 1 . . . . 53 L CB . 18878 1 661 . 1 1 58 58 LEU CG C 13 27.785 0.052 . 1 . . . . 53 L CG . 18878 1 662 . 1 1 58 58 LEU CD1 C 13 26.153 0.056 . 2 . . . . 53 L CD1 . 18878 1 663 . 1 1 58 58 LEU CD2 C 13 24.290 0.032 . 2 . . . . 53 L CD2 . 18878 1 664 . 1 1 58 58 LEU N N 15 123.435 0.049 . 1 . . . . 53 L N . 18878 1 665 . 1 1 59 59 GLY H H 1 9.320 0.004 . 1 . . . . 54 G H . 18878 1 666 . 1 1 59 59 GLY HA2 H 1 4.763 0.005 . 2 . . . . 54 G HA2 . 18878 1 667 . 1 1 59 59 GLY HA3 H 1 3.906 0.003 . 2 . . . . 54 G HA3 . 18878 1 668 . 1 1 59 59 GLY CA C 13 43.972 0.039 . 1 . . . . 54 G CA . 18878 1 669 . 1 1 59 59 GLY N N 15 108.538 0.017 . 1 . . . . 54 G N . 18878 1 670 . 1 1 60 60 PRO HA H 1 4.034 0.002 . 1 . . . . 55 P HA . 18878 1 671 . 1 1 60 60 PRO HB2 H 1 2.047 0.005 . 2 . . . . 55 P HB2 . 18878 1 672 . 1 1 60 60 PRO HB3 H 1 2.351 0.005 . 2 . . . . 55 P HB3 . 18878 1 673 . 1 1 60 60 PRO HG2 H 1 2.125 0.004 . 2 . . . . 55 P HG2 . 18878 1 674 . 1 1 60 60 PRO HG3 H 1 2.011 0.003 . 2 . . . . 55 P HG3 . 18878 1 675 . 1 1 60 60 PRO HD2 H 1 3.637 0.004 . 2 . . . . 55 P HD2 . 18878 1 676 . 1 1 60 60 PRO HD3 H 1 3.821 0.004 . 2 . . . . 55 P HD3 . 18878 1 677 . 1 1 60 60 PRO C C 13 177.727 0.000 . 1 . . . . 55 P C . 18878 1 678 . 1 1 60 60 PRO CA C 13 64.831 0.044 . 1 . . . . 55 P CA . 18878 1 679 . 1 1 60 60 PRO CB C 13 32.191 0.047 . 1 . . . . 55 P CB . 18878 1 680 . 1 1 60 60 PRO CG C 13 27.793 0.056 . 1 . . . . 55 P CG . 18878 1 681 . 1 1 60 60 PRO CD C 13 50.211 0.036 . 1 . . . . 55 P CD . 18878 1 682 . 1 1 61 61 LYS H H 1 8.317 0.004 . 1 . . . . 56 K H . 18878 1 683 . 1 1 61 61 LYS HA H 1 4.183 0.004 . 1 . . . . 56 K HA . 18878 1 684 . 1 1 61 61 LYS HB2 H 1 1.845 0.004 . 2 . . . . 56 K HB# . 18878 1 685 . 1 1 61 61 LYS HB3 H 1 1.845 0.004 . 2 . . . . 56 K HB# . 18878 1 686 . 1 1 61 61 LYS HG2 H 1 1.451 0.003 . 2 . . . . 56 K HG2 . 18878 1 687 . 1 1 61 61 LYS HG3 H 1 1.389 0.002 . 2 . . . . 56 K HG3 . 18878 1 688 . 1 1 61 61 LYS HE2 H 1 3.023 0.000 . 2 . . . . 56 K HE# . 18878 1 689 . 1 1 61 61 LYS HE3 H 1 3.023 0.000 . 2 . . . . 56 K HE# . 18878 1 690 . 1 1 61 61 LYS C C 13 176.620 0.000 . 1 . . . . 56 K C . 18878 1 691 . 1 1 61 61 LYS CA C 13 57.834 0.064 . 1 . . . . 56 K CA . 18878 1 692 . 1 1 61 61 LYS CB C 13 31.647 0.049 . 1 . . . . 56 K CB . 18878 1 693 . 1 1 61 61 LYS CG C 13 24.842 0.021 . 1 . . . . 56 K CG . 18878 1 694 . 1 1 61 61 LYS N N 15 115.286 0.025 . 1 . . . . 56 K N . 18878 1 695 . 1 1 62 62 ASP H H 1 7.752 0.003 . 1 . . . . 57 D H . 18878 1 696 . 1 1 62 62 ASP HA H 1 4.980 0.005 . 1 . . . . 57 D HA . 18878 1 697 . 1 1 62 62 ASP HB2 H 1 2.619 0.004 . 2 . . . . 57 D HB2 . 18878 1 698 . 1 1 62 62 ASP HB3 H 1 3.674 0.004 . 2 . . . . 57 D HB3 . 18878 1 699 . 1 1 62 62 ASP C C 13 173.345 0.000 . 1 . . . . 57 D C . 18878 1 700 . 1 1 62 62 ASP CA C 13 54.542 0.072 . 1 . . . . 57 D CA . 18878 1 701 . 1 1 62 62 ASP CB C 13 43.677 0.035 . 1 . . . . 57 D CB . 18878 1 702 . 1 1 62 62 ASP N N 15 117.929 0.026 . 1 . . . . 57 D N . 18878 1 703 . 1 1 63 63 ILE H H 1 6.798 0.004 . 1 . . . . 58 I H . 18878 1 704 . 1 1 63 63 ILE HA H 1 4.869 0.003 . 1 . . . . 58 I HA . 18878 1 705 . 1 1 63 63 ILE HB H 1 1.325 0.003 . 1 . . . . 58 I HB . 18878 1 706 . 1 1 63 63 ILE HG12 H 1 0.694 0.003 . 2 . . . . 58 I HG12 . 18878 1 707 . 1 1 63 63 ILE HG13 H 1 0.973 0.004 . 2 . . . . 58 I HG13 . 18878 1 708 . 1 1 63 63 ILE HG21 H 1 0.252 0.003 . 1 . . . . 58 I QG2 . 18878 1 709 . 1 1 63 63 ILE HG22 H 1 0.252 0.003 . 1 . . . . 58 I QG2 . 18878 1 710 . 1 1 63 63 ILE HG23 H 1 0.252 0.003 . 1 . . . . 58 I QG2 . 18878 1 711 . 1 1 63 63 ILE HD11 H 1 0.042 0.003 . 1 . . . . 58 I QD1 . 18878 1 712 . 1 1 63 63 ILE HD12 H 1 0.042 0.003 . 1 . . . . 58 I QD1 . 18878 1 713 . 1 1 63 63 ILE HD13 H 1 0.042 0.003 . 1 . . . . 58 I QD1 . 18878 1 714 . 1 1 63 63 ILE C C 13 173.411 0.000 . 1 . . . . 58 I C . 18878 1 715 . 1 1 63 63 ILE CA C 13 59.997 0.053 . 1 . . . . 58 I CA . 18878 1 716 . 1 1 63 63 ILE CB C 13 40.579 0.161 . 1 . . . . 58 I CB . 18878 1 717 . 1 1 63 63 ILE CG1 C 13 25.341 0.062 . 1 . . . . 58 I CG1 . 18878 1 718 . 1 1 63 63 ILE CG2 C 13 18.132 0.057 . 1 . . . . 58 I CG2 . 18878 1 719 . 1 1 63 63 ILE CD1 C 13 13.823 0.043 . 1 . . . . 58 I CD1 . 18878 1 720 . 1 1 63 63 ILE N N 15 114.401 0.067 . 1 . . . . 58 I N . 18878 1 721 . 1 1 64 64 PHE H H 1 8.683 0.003 . 1 . . . . 59 F H . 18878 1 722 . 1 1 64 64 PHE HA H 1 5.174 0.004 . 1 . . . . 59 F HA . 18878 1 723 . 1 1 64 64 PHE HB2 H 1 3.392 0.003 . 2 . . . . 59 F HB2 . 18878 1 724 . 1 1 64 64 PHE HB3 H 1 2.938 0.002 . 2 . . . . 59 F HB3 . 18878 1 725 . 1 1 64 64 PHE HD1 H 1 7.328 0.003 . 3 . . . . 59 F HD# . 18878 1 726 . 1 1 64 64 PHE HD2 H 1 7.328 0.003 . 3 . . . . 59 F HD# . 18878 1 727 . 1 1 64 64 PHE HE1 H 1 7.316 0.004 . 3 . . . . 59 F HE# . 18878 1 728 . 1 1 64 64 PHE HE2 H 1 7.316 0.004 . 3 . . . . 59 F HE# . 18878 1 729 . 1 1 64 64 PHE CA C 13 54.895 0.042 . 1 . . . . 59 F CA . 18878 1 730 . 1 1 64 64 PHE CB C 13 41.999 0.064 . 1 . . . . 59 F CB . 18878 1 731 . 1 1 64 64 PHE CD1 C 13 132.329 0.101 . 3 . . . . 59 F CD1 . 18878 1 732 . 1 1 64 64 PHE CE1 C 13 131.535 0.032 . 3 . . . . 59 F CE1 . 18878 1 733 . 1 1 64 64 PHE N N 15 119.594 0.049 . 1 . . . . 59 F N . 18878 1 734 . 1 1 65 65 PRO HA H 1 4.749 0.004 . 1 . . . . 60 P HA . 18878 1 735 . 1 1 65 65 PRO HB2 H 1 2.350 0.001 . 2 . . . . 60 P HB2 . 18878 1 736 . 1 1 65 65 PRO HB3 H 1 2.680 0.005 . 2 . . . . 60 P HB3 . 18878 1 737 . 1 1 65 65 PRO HG2 H 1 2.266 0.006 . 2 . . . . 60 P QG . 18878 1 738 . 1 1 65 65 PRO HG3 H 1 2.266 0.006 . 2 . . . . 60 P QG . 18878 1 739 . 1 1 65 65 PRO HD2 H 1 4.155 0.003 . 2 . . . . 60 P HD2 . 18878 1 740 . 1 1 65 65 PRO HD3 H 1 4.043 0.002 . 2 . . . . 60 P HD3 . 18878 1 741 . 1 1 65 65 PRO C C 13 177.444 0.000 . 1 . . . . 60 P C . 18878 1 742 . 1 1 65 65 PRO CA C 13 64.235 0.082 . 1 . . . . 60 P CA . 18878 1 743 . 1 1 65 65 PRO CB C 13 32.788 0.027 . 1 . . . . 60 P CB . 18878 1 744 . 1 1 65 65 PRO CG C 13 28.474 0.047 . 1 . . . . 60 P CG . 18878 1 745 . 1 1 65 65 PRO CD C 13 50.783 0.031 . 1 . . . . 60 P CD . 18878 1 746 . 1 1 66 66 TYR H H 1 8.309 0.005 . 1 . . . . 61 Y H . 18878 1 747 . 1 1 66 66 TYR HA H 1 4.491 0.002 . 1 . . . . 61 Y HA . 18878 1 748 . 1 1 66 66 TYR HB2 H 1 2.653 0.002 . 2 . . . . 61 Y HB2 . 18878 1 749 . 1 1 66 66 TYR HB3 H 1 2.762 0.004 . 2 . . . . 61 Y HB3 . 18878 1 750 . 1 1 66 66 TYR HD1 H 1 6.535 0.008 . 3 . . . . 61 Y HD# . 18878 1 751 . 1 1 66 66 TYR HD2 H 1 6.535 0.008 . 3 . . . . 61 Y HD# . 18878 1 752 . 1 1 66 66 TYR HE1 H 1 6.510 0.006 . 3 . . . . 61 Y HE# . 18878 1 753 . 1 1 66 66 TYR HE2 H 1 6.510 0.006 . 3 . . . . 61 Y HE# . 18878 1 754 . 1 1 66 66 TYR C C 13 177.561 0.000 . 1 . . . . 61 Y C . 18878 1 755 . 1 1 66 66 TYR CA C 13 61.230 0.014 . 1 . . . . 61 Y CA . 18878 1 756 . 1 1 66 66 TYR CB C 13 38.777 0.057 . 1 . . . . 61 Y CB . 18878 1 757 . 1 1 66 66 TYR CD1 C 13 133.859 0.094 . 3 . . . . 61 Y CD1 . 18878 1 758 . 1 1 66 66 TYR CE1 C 13 118.146 0.044 . 3 . . . . 61 Y CE1 . 18878 1 759 . 1 1 66 66 TYR N N 15 124.195 0.026 . 1 . . . . 61 Y N . 18878 1 760 . 1 1 67 67 SER H H 1 8.957 0.005 . 1 . . . . 62 S H . 18878 1 761 . 1 1 67 67 SER HA H 1 3.491 0.003 . 1 . . . . 62 S HA . 18878 1 762 . 1 1 67 67 SER HB2 H 1 3.937 0.002 . 2 . . . . 62 S HB# . 18878 1 763 . 1 1 67 67 SER HB3 H 1 3.937 0.002 . 2 . . . . 62 S HB# . 18878 1 764 . 1 1 67 67 SER C C 13 177.779 0.000 . 1 . . . . 62 S C . 18878 1 765 . 1 1 67 67 SER CA C 13 63.000 0.077 . 1 . . . . 62 S CA . 18878 1 766 . 1 1 67 67 SER CB C 13 62.206 0.039 . 1 . . . . 62 S CB . 18878 1 767 . 1 1 67 67 SER N N 15 114.900 0.012 . 1 . . . . 62 S N . 18878 1 768 . 1 1 68 68 GLU H H 1 8.835 0.009 . 1 . . . . 63 E H . 18878 1 769 . 1 1 68 68 GLU HA H 1 4.185 0.001 . 1 . . . . 63 E HA . 18878 1 770 . 1 1 68 68 GLU HB2 H 1 1.986 0.003 . 2 . . . . 63 E HB2 . 18878 1 771 . 1 1 68 68 GLU HB3 H 1 2.055 0.003 . 2 . . . . 63 E HB3 . 18878 1 772 . 1 1 68 68 GLU HG2 H 1 2.360 0.002 . 2 . . . . 63 E HG2 . 18878 1 773 . 1 1 68 68 GLU HG3 H 1 2.279 0.002 . 2 . . . . 63 E HG3 . 18878 1 774 . 1 1 68 68 GLU C C 13 176.528 0.000 . 1 . . . . 63 E C . 18878 1 775 . 1 1 68 68 GLU CA C 13 58.258 0.026 . 1 . . . . 63 E CA . 18878 1 776 . 1 1 68 68 GLU CB C 13 30.200 0.034 . 1 . . . . 63 E CB . 18878 1 777 . 1 1 68 68 GLU CG C 13 36.792 0.048 . 1 . . . . 63 E CG . 18878 1 778 . 1 1 68 68 GLU N N 15 118.073 0.067 . 1 . . . . 63 E N . 18878 1 779 . 1 1 69 69 ASN H H 1 7.423 0.005 . 1 . . . . 64 N H . 18878 1 780 . 1 1 69 69 ASN HA H 1 4.996 0.003 . 1 . . . . 64 N HA . 18878 1 781 . 1 1 69 69 ASN HB2 H 1 2.800 0.005 . 2 . . . . 64 N HB# . 18878 1 782 . 1 1 69 69 ASN HB3 H 1 2.800 0.005 . 2 . . . . 64 N HB# . 18878 1 783 . 1 1 69 69 ASN HD21 H 1 8.166 0.002 . 2 . . . . 64 N HD21 . 18878 1 784 . 1 1 69 69 ASN HD22 H 1 8.818 0.006 . 2 . . . . 64 N HD22 . 18878 1 785 . 1 1 69 69 ASN C C 13 174.882 0.000 . 1 . . . . 64 N C . 18878 1 786 . 1 1 69 69 ASN CA C 13 53.760 0.080 . 1 . . . . 64 N CA . 18878 1 787 . 1 1 69 69 ASN CB C 13 41.978 0.084 . 1 . . . . 64 N CB . 18878 1 788 . 1 1 69 69 ASN N N 15 113.936 0.016 . 1 . . . . 64 N N . 18878 1 789 . 1 1 69 69 ASN ND2 N 15 117.946 0.001 . 1 . . . . 64 N ND2 . 18878 1 790 . 1 1 70 70 LYS H H 1 7.563 0.006 . 1 . . . . 65 K H . 18878 1 791 . 1 1 70 70 LYS HA H 1 3.785 0.003 . 1 . . . . 65 K HA . 18878 1 792 . 1 1 70 70 LYS HB2 H 1 1.579 0.003 . 2 . . . . 65 K HB# . 18878 1 793 . 1 1 70 70 LYS HB3 H 1 1.579 0.003 . 2 . . . . 65 K HB# . 18878 1 794 . 1 1 70 70 LYS HG2 H 1 1.288 0.003 . 2 . . . . 65 K QG . 18878 1 795 . 1 1 70 70 LYS HG3 H 1 1.288 0.003 . 2 . . . . 65 K QG . 18878 1 796 . 1 1 70 70 LYS HD2 H 1 1.544 0.003 . 2 . . . . 65 K HD# . 18878 1 797 . 1 1 70 70 LYS HD3 H 1 1.544 0.003 . 2 . . . . 65 K HD# . 18878 1 798 . 1 1 70 70 LYS HE2 H 1 3.023 0.000 . 2 . . . . 65 K HE2 . 18878 1 799 . 1 1 70 70 LYS HE3 H 1 2.964 0.000 . 2 . . . . 65 K HE3 . 18878 1 800 . 1 1 70 70 LYS C C 13 178.149 0.000 . 1 . . . . 65 K C . 18878 1 801 . 1 1 70 70 LYS CA C 13 61.207 0.032 . 1 . . . . 65 K CA . 18878 1 802 . 1 1 70 70 LYS CB C 13 32.162 0.033 . 1 . . . . 65 K CB . 18878 1 803 . 1 1 70 70 LYS CG C 13 24.686 0.015 . 1 . . . . 65 K CG . 18878 1 804 . 1 1 70 70 LYS CD C 13 29.699 0.025 . 1 . . . . 65 K CD . 18878 1 805 . 1 1 70 70 LYS CE C 13 42.039 0.062 . 1 . . . . 65 K CE . 18878 1 806 . 1 1 70 70 LYS N N 15 124.577 0.028 . 1 . . . . 65 K N . 18878 1 807 . 1 1 71 71 GLU H H 1 8.457 0.004 . 1 . . . . 66 E H . 18878 1 808 . 1 1 71 71 GLU HA H 1 3.987 0.002 . 1 . . . . 66 E HA . 18878 1 809 . 1 1 71 71 GLU HB2 H 1 1.896 0.003 . 2 . . . . 66 E HB# . 18878 1 810 . 1 1 71 71 GLU HB3 H 1 1.896 0.003 . 2 . . . . 66 E HB# . 18878 1 811 . 1 1 71 71 GLU HG2 H 1 2.199 0.003 . 2 . . . . 66 E HG2 . 18878 1 812 . 1 1 71 71 GLU HG3 H 1 2.169 0.006 . 2 . . . . 66 E HG3 . 18878 1 813 . 1 1 71 71 GLU C C 13 176.894 0.000 . 1 . . . . 66 E C . 18878 1 814 . 1 1 71 71 GLU CA C 13 58.692 0.022 . 1 . . . . 66 E CA . 18878 1 815 . 1 1 71 71 GLU CB C 13 28.823 0.052 . 1 . . . . 66 E CB . 18878 1 816 . 1 1 71 71 GLU CG C 13 36.365 0.051 . 1 . . . . 66 E CG . 18878 1 817 . 1 1 71 71 GLU N N 15 118.409 0.032 . 1 . . . . 66 E N . 18878 1 818 . 1 1 72 72 LYS H H 1 7.088 0.002 . 1 . . . . 67 K H . 18878 1 819 . 1 1 72 72 LYS HA H 1 3.834 0.003 . 1 . . . . 67 K HA . 18878 1 820 . 1 1 72 72 LYS HB2 H 1 0.818 0.002 . 2 . . . . 67 K HB2 . 18878 1 821 . 1 1 72 72 LYS HB3 H 1 1.147 0.002 . 2 . . . . 67 K HB3 . 18878 1 822 . 1 1 72 72 LYS HG2 H 1 0.481 0.003 . 2 . . . . 67 K HG2 . 18878 1 823 . 1 1 72 72 LYS HG3 H 1 0.818 0.002 . 2 . . . . 67 K HG3 . 18878 1 824 . 1 1 72 72 LYS HD2 H 1 1.115 0.002 . 2 . . . . 67 K HD2 . 18878 1 825 . 1 1 72 72 LYS HD3 H 1 1.202 0.003 . 2 . . . . 67 K HD3 . 18878 1 826 . 1 1 72 72 LYS HE2 H 1 2.659 0.002 . 2 . . . . 67 K HE# . 18878 1 827 . 1 1 72 72 LYS HE3 H 1 2.659 0.002 . 2 . . . . 67 K HE# . 18878 1 828 . 1 1 72 72 LYS C C 13 178.069 0.000 . 1 . . . . 67 K C . 18878 1 829 . 1 1 72 72 LYS CA C 13 58.347 0.038 . 1 . . . . 67 K CA . 18878 1 830 . 1 1 72 72 LYS CB C 13 33.020 0.032 . 1 . . . . 67 K CB . 18878 1 831 . 1 1 72 72 LYS CG C 13 24.214 0.046 . 1 . . . . 67 K CG . 18878 1 832 . 1 1 72 72 LYS CD C 13 29.229 0.047 . 1 . . . . 67 K CD . 18878 1 833 . 1 1 72 72 LYS CE C 13 41.755 0.017 . 1 . . . . 67 K CE . 18878 1 834 . 1 1 72 72 LYS N N 15 117.182 0.039 . 1 . . . . 67 K N . 18878 1 835 . 1 1 73 73 TYR H H 1 7.337 0.003 . 1 . . . . 68 Y H . 18878 1 836 . 1 1 73 73 TYR HA H 1 4.775 0.009 . 1 . . . . 68 Y HA . 18878 1 837 . 1 1 73 73 TYR HB2 H 1 2.340 0.001 . 2 . . . . 68 Y HB2 . 18878 1 838 . 1 1 73 73 TYR HB3 H 1 0.542 0.000 . 2 . . . . 68 Y HB3 . 18878 1 839 . 1 1 73 73 TYR HD1 H 1 6.281 0.004 . 3 . . . . 68 Y HD# . 18878 1 840 . 1 1 73 73 TYR HD2 H 1 6.281 0.004 . 3 . . . . 68 Y HD# . 18878 1 841 . 1 1 73 73 TYR HE1 H 1 5.857 0.004 . 3 . . . . 68 Y HE# . 18878 1 842 . 1 1 73 73 TYR HE2 H 1 5.857 0.004 . 3 . . . . 68 Y HE# . 18878 1 843 . 1 1 73 73 TYR C C 13 177.029 0.000 . 1 . . . . 68 Y C . 18878 1 844 . 1 1 73 73 TYR CA C 13 55.305 0.015 . 1 . . . . 68 Y CA . 18878 1 845 . 1 1 73 73 TYR CB C 13 37.288 0.089 . 1 . . . . 68 Y CB . 18878 1 846 . 1 1 73 73 TYR CD1 C 13 130.996 0.003 . 3 . . . . 68 Y CD1 . 18878 1 847 . 1 1 73 73 TYR CE1 C 13 117.150 0.004 . 3 . . . . 68 Y CE1 . 18878 1 848 . 1 1 73 73 TYR N N 15 112.362 0.020 . 1 . . . . 68 Y N . 18878 1 849 . 1 1 74 74 GLY H H 1 8.050 0.004 . 1 . . . . 69 G H . 18878 1 850 . 1 1 74 74 GLY HA2 H 1 3.917 0.002 . 2 . . . . 69 G HA2 . 18878 1 851 . 1 1 74 74 GLY HA3 H 1 4.563 0.006 . 2 . . . . 69 G HA3 . 18878 1 852 . 1 1 74 74 GLY C C 13 173.505 0.000 . 1 . . . . 69 G C . 18878 1 853 . 1 1 74 74 GLY CA C 13 46.571 0.023 . 1 . . . . 69 G CA . 18878 1 854 . 1 1 74 74 GLY N N 15 110.564 0.039 . 1 . . . . 69 G N . 18878 1 855 . 1 1 75 75 LYS H H 1 7.389 0.002 . 1 . . . . 70 K H . 18878 1 856 . 1 1 75 75 LYS HA H 1 4.690 0.002 . 1 . . . . 70 K HA . 18878 1 857 . 1 1 75 75 LYS HB2 H 1 1.802 0.000 . 2 . . . . 70 K HB2 . 18878 1 858 . 1 1 75 75 LYS HB3 H 1 1.676 0.002 . 2 . . . . 70 K HB3 . 18878 1 859 . 1 1 75 75 LYS HG2 H 1 1.383 0.000 . 2 . . . . 70 K QG . 18878 1 860 . 1 1 75 75 LYS HG3 H 1 1.383 0.000 . 2 . . . . 70 K QG . 18878 1 861 . 1 1 75 75 LYS CA C 13 53.490 0.050 . 1 . . . . 70 K CA . 18878 1 862 . 1 1 75 75 LYS CB C 13 32.588 0.157 . 1 . . . . 70 K CB . 18878 1 863 . 1 1 75 75 LYS CG C 13 24.731 0.000 . 1 . . . . 70 K CG . 18878 1 864 . 1 1 75 75 LYS CD C 13 29.029 0.000 . 1 . . . . 70 K CD . 18878 1 865 . 1 1 75 75 LYS CE C 13 42.263 0.000 . 1 . . . . 70 K CE . 18878 1 866 . 1 1 75 75 LYS N N 15 120.987 0.049 . 1 . . . . 70 K N . 18878 1 867 . 1 1 76 76 PRO HA H 1 4.549 0.004 . 1 . . . . 71 P HA . 18878 1 868 . 1 1 76 76 PRO HB2 H 1 1.849 0.004 . 2 . . . . 71 P HB2 . 18878 1 869 . 1 1 76 76 PRO HB3 H 1 2.364 0.001 . 2 . . . . 71 P HB3 . 18878 1 870 . 1 1 76 76 PRO HG2 H 1 1.950 0.001 . 2 . . . . 71 P HG2 . 18878 1 871 . 1 1 76 76 PRO HG3 H 1 2.029 0.000 . 2 . . . . 71 P HG3 . 18878 1 872 . 1 1 76 76 PRO HD2 H 1 3.920 0.003 . 2 . . . . 71 P HD2 . 18878 1 873 . 1 1 76 76 PRO HD3 H 1 3.599 0.005 . 2 . . . . 71 P HD3 . 18878 1 874 . 1 1 76 76 PRO C C 13 176.117 0.000 . 1 . . . . 71 P C . 18878 1 875 . 1 1 76 76 PRO CA C 13 63.664 0.018 . 1 . . . . 71 P CA . 18878 1 876 . 1 1 76 76 PRO CB C 13 32.708 0.053 . 1 . . . . 71 P CB . 18878 1 877 . 1 1 76 76 PRO CG C 13 27.539 0.079 . 1 . . . . 71 P CG . 18878 1 878 . 1 1 76 76 PRO CD C 13 50.599 0.042 . 1 . . . . 71 P CD . 18878 1 879 . 1 1 77 77 ASN H H 1 8.671 0.002 . 1 . . . . 72 N H . 18878 1 880 . 1 1 77 77 ASN HA H 1 4.669 0.004 . 1 . . . . 72 N HA . 18878 1 881 . 1 1 77 77 ASN HB2 H 1 2.107 0.003 . 2 . . . . 72 N HB2 . 18878 1 882 . 1 1 77 77 ASN HB3 H 1 2.395 0.008 . 2 . . . . 72 N HB3 . 18878 1 883 . 1 1 77 77 ASN HD21 H 1 6.980 0.001 . 2 . . . . 72 N HD21 . 18878 1 884 . 1 1 77 77 ASN HD22 H 1 4.501 0.000 . 2 . . . . 72 N HD22 . 18878 1 885 . 1 1 77 77 ASN C C 13 174.302 0.000 . 1 . . . . 72 N C . 18878 1 886 . 1 1 77 77 ASN CA C 13 52.976 0.026 . 1 . . . . 72 N CA . 18878 1 887 . 1 1 77 77 ASN CB C 13 41.026 0.026 . 1 . . . . 72 N CB . 18878 1 888 . 1 1 77 77 ASN N N 15 119.332 0.034 . 1 . . . . 72 N N . 18878 1 889 . 1 1 77 77 ASN ND2 N 15 110.710 0.067 . 1 . . . . 72 N ND2 . 18878 1 890 . 1 1 78 78 LYS H H 1 8.292 0.004 . 1 . . . . 73 K H . 18878 1 891 . 1 1 78 78 LYS HA H 1 4.346 0.002 . 1 . . . . 73 K HA . 18878 1 892 . 1 1 78 78 LYS HB2 H 1 1.742 0.003 . 2 . . . . 73 K HB2 . 18878 1 893 . 1 1 78 78 LYS HB3 H 1 2.016 0.002 . 2 . . . . 73 K HB3 . 18878 1 894 . 1 1 78 78 LYS HG2 H 1 1.440 0.000 . 2 . . . . 73 K QG . 18878 1 895 . 1 1 78 78 LYS HG3 H 1 1.440 0.000 . 2 . . . . 73 K QG . 18878 1 896 . 1 1 78 78 LYS HD2 H 1 1.672 0.000 . 2 . . . . 73 K HD# . 18878 1 897 . 1 1 78 78 LYS HD3 H 1 1.672 0.000 . 2 . . . . 73 K HD# . 18878 1 898 . 1 1 78 78 LYS HE2 H 1 2.991 0.000 . 2 . . . . 73 K HE# . 18878 1 899 . 1 1 78 78 LYS HE3 H 1 2.991 0.000 . 2 . . . . 73 K HE# . 18878 1 900 . 1 1 78 78 LYS C C 13 177.581 0.000 . 1 . . . . 73 K C . 18878 1 901 . 1 1 78 78 LYS CA C 13 56.568 0.032 . 1 . . . . 73 K CA . 18878 1 902 . 1 1 78 78 LYS CB C 13 32.557 0.035 . 1 . . . . 73 K CB . 18878 1 903 . 1 1 78 78 LYS CG C 13 24.943 0.015 . 1 . . . . 73 K CG . 18878 1 904 . 1 1 78 78 LYS CD C 13 29.084 0.017 . 1 . . . . 73 K CD . 18878 1 905 . 1 1 78 78 LYS CE C 13 42.132 0.015 . 1 . . . . 73 K CE . 18878 1 906 . 1 1 78 78 LYS N N 15 118.453 0.029 . 1 . . . . 73 K N . 18878 1 907 . 1 1 79 79 ARG H H 1 8.841 0.004 . 1 . . . . 74 R H . 18878 1 908 . 1 1 79 79 ARG HA H 1 4.268 0.004 . 1 . . . . 74 R HA . 18878 1 909 . 1 1 79 79 ARG HB2 H 1 2.051 0.002 . 2 . . . . 74 R HB# . 18878 1 910 . 1 1 79 79 ARG HB3 H 1 2.051 0.002 . 2 . . . . 74 R HB# . 18878 1 911 . 1 1 79 79 ARG HG2 H 1 1.743 0.001 . 2 . . . . 74 R HG2 . 18878 1 912 . 1 1 79 79 ARG HG3 H 1 1.826 0.002 . 2 . . . . 74 R HG3 . 18878 1 913 . 1 1 79 79 ARG HD2 H 1 3.383 0.002 . 2 . . . . 74 R HD2 . 18878 1 914 . 1 1 79 79 ARG HD3 H 1 3.280 0.003 . 2 . . . . 74 R HD3 . 18878 1 915 . 1 1 79 79 ARG C C 13 177.814 0.000 . 1 . . . . 74 R C . 18878 1 916 . 1 1 79 79 ARG CA C 13 55.956 0.030 . 1 . . . . 74 R CA . 18878 1 917 . 1 1 79 79 ARG CB C 13 29.669 0.041 . 1 . . . . 74 R CB . 18878 1 918 . 1 1 79 79 ARG CG C 13 27.982 0.065 . 1 . . . . 74 R CG . 18878 1 919 . 1 1 79 79 ARG CD C 13 42.432 0.029 . 1 . . . . 74 R CD . 18878 1 920 . 1 1 79 79 ARG N N 15 122.314 0.021 . 1 . . . . 74 R N . 18878 1 921 . 1 1 80 80 LYS H H 1 8.940 0.005 . 1 . . . . 75 K H . 18878 1 922 . 1 1 80 80 LYS HA H 1 4.206 0.004 . 1 . . . . 75 K HA . 18878 1 923 . 1 1 80 80 LYS HB2 H 1 1.958 0.001 . 2 . . . . 75 K HB2 . 18878 1 924 . 1 1 80 80 LYS HB3 H 1 1.886 0.002 . 2 . . . . 75 K HB3 . 18878 1 925 . 1 1 80 80 LYS HG2 H 1 1.556 0.002 . 2 . . . . 75 K HG2 . 18878 1 926 . 1 1 80 80 LYS HG3 H 1 1.422 0.000 . 2 . . . . 75 K HG3 . 18878 1 927 . 1 1 80 80 LYS HD2 H 1 1.747 0.000 . 2 . . . . 75 K HD# . 18878 1 928 . 1 1 80 80 LYS HD3 H 1 1.747 0.000 . 2 . . . . 75 K HD# . 18878 1 929 . 1 1 80 80 LYS HE2 H 1 3.020 0.000 . 2 . . . . 75 K HE# . 18878 1 930 . 1 1 80 80 LYS HE3 H 1 3.020 0.000 . 2 . . . . 75 K HE# . 18878 1 931 . 1 1 80 80 LYS C C 13 177.180 0.000 . 1 . . . . 75 K C . 18878 1 932 . 1 1 80 80 LYS CA C 13 58.917 0.077 . 1 . . . . 75 K CA . 18878 1 933 . 1 1 80 80 LYS CB C 13 32.082 0.081 . 1 . . . . 75 K CB . 18878 1 934 . 1 1 80 80 LYS CG C 13 24.634 0.029 . 1 . . . . 75 K CG . 18878 1 935 . 1 1 80 80 LYS CD C 13 29.265 0.061 . 1 . . . . 75 K CD . 18878 1 936 . 1 1 80 80 LYS CE C 13 42.186 0.045 . 1 . . . . 75 K CE . 18878 1 937 . 1 1 80 80 LYS N N 15 128.232 0.028 . 1 . . . . 75 K N . 18878 1 938 . 1 1 81 81 GLY H H 1 8.928 0.002 . 1 . . . . 76 G H . 18878 1 939 . 1 1 81 81 GLY HA2 H 1 4.359 0.005 . 2 . . . . 76 G HA2 . 18878 1 940 . 1 1 81 81 GLY HA3 H 1 3.779 0.003 . 2 . . . . 76 G HA3 . 18878 1 941 . 1 1 81 81 GLY C C 13 174.951 0.000 . 1 . . . . 76 G C . 18878 1 942 . 1 1 81 81 GLY CA C 13 45.967 0.025 . 1 . . . . 76 G CA . 18878 1 943 . 1 1 81 81 GLY N N 15 114.707 0.014 . 1 . . . . 76 G N . 18878 1 944 . 1 1 82 82 PHE H H 1 8.269 0.002 . 1 . . . . 77 F H . 18878 1 945 . 1 1 82 82 PHE HA H 1 3.316 0.003 . 1 . . . . 77 F HA . 18878 1 946 . 1 1 82 82 PHE HB2 H 1 3.064 0.002 . 2 . . . . 77 F HB2 . 18878 1 947 . 1 1 82 82 PHE HB3 H 1 2.281 0.001 . 2 . . . . 77 F HB3 . 18878 1 948 . 1 1 82 82 PHE HD1 H 1 6.076 0.004 . 3 . . . . 77 F HD# . 18878 1 949 . 1 1 82 82 PHE HD2 H 1 6.076 0.004 . 3 . . . . 77 F HD# . 18878 1 950 . 1 1 82 82 PHE HE1 H 1 7.537 0.006 . 3 . . . . 77 F HE# . 18878 1 951 . 1 1 82 82 PHE HE2 H 1 7.537 0.006 . 3 . . . . 77 F HE# . 18878 1 952 . 1 1 82 82 PHE HZ H 1 7.644 0.005 . 1 . . . . 77 F HZ . 18878 1 953 . 1 1 82 82 PHE C C 13 177.450 0.000 . 1 . . . . 77 F C . 18878 1 954 . 1 1 82 82 PHE CA C 13 63.118 0.018 . 1 . . . . 77 F CA . 18878 1 955 . 1 1 82 82 PHE CB C 13 39.921 0.051 . 1 . . . . 77 F CB . 18878 1 956 . 1 1 82 82 PHE CD1 C 13 131.302 0.041 . 3 . . . . 77 F CD1 . 18878 1 957 . 1 1 82 82 PHE CE1 C 13 132.243 0.049 . 3 . . . . 77 F CE1 . 18878 1 958 . 1 1 82 82 PHE CZ C 13 129.332 0.002 . 1 . . . . 77 F CZ . 18878 1 959 . 1 1 82 82 PHE N N 15 123.878 0.061 . 1 . . . . 77 F N . 18878 1 960 . 1 1 83 83 ASN H H 1 9.129 0.003 . 1 . . . . 78 N H . 18878 1 961 . 1 1 83 83 ASN HA H 1 4.439 0.006 . 1 . . . . 78 N HA . 18878 1 962 . 1 1 83 83 ASN HB2 H 1 2.839 0.004 . 2 . . . . 78 N HB# . 18878 1 963 . 1 1 83 83 ASN HB3 H 1 2.839 0.004 . 2 . . . . 78 N HB# . 18878 1 964 . 1 1 83 83 ASN HD21 H 1 7.370 0.001 . 2 . . . . 78 N HD21 . 18878 1 965 . 1 1 83 83 ASN HD22 H 1 6.577 0.001 . 2 . . . . 78 N HD22 . 18878 1 966 . 1 1 83 83 ASN C C 13 180.187 0.000 . 1 . . . . 78 N C . 18878 1 967 . 1 1 83 83 ASN CA C 13 55.980 0.033 . 1 . . . . 78 N CA . 18878 1 968 . 1 1 83 83 ASN CB C 13 36.319 0.062 . 1 . . . . 78 N CB . 18878 1 969 . 1 1 83 83 ASN N N 15 119.831 0.009 . 1 . . . . 78 N N . 18878 1 970 . 1 1 83 83 ASN ND2 N 15 108.462 0.060 . 1 . . . . 78 N ND2 . 18878 1 971 . 1 1 84 84 GLU H H 1 9.507 0.002 . 1 . . . . 79 E H . 18878 1 972 . 1 1 84 84 GLU HA H 1 4.176 0.003 . 1 . . . . 79 E HA . 18878 1 973 . 1 1 84 84 GLU HB2 H 1 2.150 0.003 . 2 . . . . 79 E HB2 . 18878 1 974 . 1 1 84 84 GLU HB3 H 1 2.055 0.002 . 2 . . . . 79 E HB3 . 18878 1 975 . 1 1 84 84 GLU HG2 H 1 2.278 0.004 . 2 . . . . 79 E HG2 . 18878 1 976 . 1 1 84 84 GLU HG3 H 1 2.594 0.002 . 2 . . . . 79 E HG3 . 18878 1 977 . 1 1 84 84 GLU C C 13 179.249 0.000 . 1 . . . . 79 E C . 18878 1 978 . 1 1 84 84 GLU CA C 13 60.854 0.038 . 1 . . . . 79 E CA . 18878 1 979 . 1 1 84 84 GLU CB C 13 28.180 0.032 . 1 . . . . 79 E CB . 18878 1 980 . 1 1 84 84 GLU CG C 13 37.333 0.047 . 1 . . . . 79 E CG . 18878 1 981 . 1 1 84 84 GLU N N 15 124.400 0.046 . 1 . . . . 79 E N . 18878 1 982 . 1 1 85 85 GLY H H 1 8.338 0.003 . 1 . . . . 80 G H . 18878 1 983 . 1 1 85 85 GLY HA2 H 1 3.951 0.004 . 2 . . . . 80 G HA2 . 18878 1 984 . 1 1 85 85 GLY HA3 H 1 3.397 0.002 . 2 . . . . 80 G HA3 . 18878 1 985 . 1 1 85 85 GLY C C 13 175.022 0.000 . 1 . . . . 80 G C . 18878 1 986 . 1 1 85 85 GLY CA C 13 46.698 0.055 . 1 . . . . 80 G CA . 18878 1 987 . 1 1 85 85 GLY N N 15 111.451 0.032 . 1 . . . . 80 G N . 18878 1 988 . 1 1 86 86 LEU H H 1 8.274 0.004 . 1 . . . . 81 L H . 18878 1 989 . 1 1 86 86 LEU HA H 1 3.908 0.002 . 1 . . . . 81 L HA . 18878 1 990 . 1 1 86 86 LEU HB2 H 1 1.427 0.003 . 2 . . . . 81 L HB2 . 18878 1 991 . 1 1 86 86 LEU HB3 H 1 2.018 0.005 . 2 . . . . 81 L HB3 . 18878 1 992 . 1 1 86 86 LEU HG H 1 1.484 0.000 . 1 . . . . 81 L HG . 18878 1 993 . 1 1 86 86 LEU HD11 H 1 0.793 0.005 . 2 . . . . 81 L QD1 . 18878 1 994 . 1 1 86 86 LEU HD12 H 1 0.793 0.005 . 2 . . . . 81 L QD1 . 18878 1 995 . 1 1 86 86 LEU HD13 H 1 0.793 0.005 . 2 . . . . 81 L QD1 . 18878 1 996 . 1 1 86 86 LEU HD21 H 1 0.959 0.004 . 2 . . . . 81 L QD2 . 18878 1 997 . 1 1 86 86 LEU HD22 H 1 0.959 0.004 . 2 . . . . 81 L QD2 . 18878 1 998 . 1 1 86 86 LEU HD23 H 1 0.959 0.004 . 2 . . . . 81 L QD2 . 18878 1 999 . 1 1 86 86 LEU C C 13 179.193 0.000 . 1 . . . . 81 L C . 18878 1 1000 . 1 1 86 86 LEU CA C 13 56.655 0.025 . 1 . . . . 81 L CA . 18878 1 1001 . 1 1 86 86 LEU CB C 13 41.146 0.041 . 1 . . . . 81 L CB . 18878 1 1002 . 1 1 86 86 LEU CG C 13 25.819 0.148 . 1 . . . . 81 L CG . 18878 1 1003 . 1 1 86 86 LEU CD1 C 13 21.286 0.044 . 2 . . . . 81 L CD1 . 18878 1 1004 . 1 1 86 86 LEU CD2 C 13 25.848 0.063 . 2 . . . . 81 L CD2 . 18878 1 1005 . 1 1 86 86 LEU N N 15 121.201 0.038 . 1 . . . . 81 L N . 18878 1 1006 . 1 1 87 87 TRP H H 1 7.767 0.006 . 1 . . . . 82 W H . 18878 1 1007 . 1 1 87 87 TRP HA H 1 4.144 0.003 . 1 . . . . 82 W HA . 18878 1 1008 . 1 1 87 87 TRP HB2 H 1 3.300 0.001 . 2 . . . . 82 W HB2 . 18878 1 1009 . 1 1 87 87 TRP HB3 H 1 3.662 0.005 . 2 . . . . 82 W HB3 . 18878 1 1010 . 1 1 87 87 TRP HD1 H 1 7.323 0.005 . 1 . . . . 82 W HD1 . 18878 1 1011 . 1 1 87 87 TRP HE1 H 1 10.273 0.003 . 1 . . . . 82 W HE1 . 18878 1 1012 . 1 1 87 87 TRP HE3 H 1 7.473 0.005 . 1 . . . . 82 W HE3 . 18878 1 1013 . 1 1 87 87 TRP HZ2 H 1 7.429 0.005 . 1 . . . . 82 W HZ2 . 18878 1 1014 . 1 1 87 87 TRP HZ3 H 1 7.231 0.000 . 1 . . . . 82 W HZ3 . 18878 1 1015 . 1 1 87 87 TRP HH2 H 1 7.212 0.002 . 1 . . . . 82 W HH2 . 18878 1 1016 . 1 1 87 87 TRP C C 13 179.752 0.000 . 1 . . . . 82 W C . 18878 1 1017 . 1 1 87 87 TRP CA C 13 62.072 0.034 . 1 . . . . 82 W CA . 18878 1 1018 . 1 1 87 87 TRP CB C 13 28.455 0.040 . 1 . . . . 82 W CB . 18878 1 1019 . 1 1 87 87 TRP CD1 C 13 127.696 0.060 . 1 . . . . 82 W CD1 . 18878 1 1020 . 1 1 87 87 TRP CE3 C 13 120.374 0.001 . 1 . . . . 82 W CE3 . 18878 1 1021 . 1 1 87 87 TRP CZ2 C 13 115.097 0.029 . 1 . . . . 82 W CZ2 . 18878 1 1022 . 1 1 87 87 TRP CZ3 C 13 121.930 0.000 . 1 . . . . 82 W CZ3 . 18878 1 1023 . 1 1 87 87 TRP CH2 C 13 124.697 0.001 . 1 . . . . 82 W CH2 . 18878 1 1024 . 1 1 87 87 TRP N N 15 118.919 0.021 . 1 . . . . 82 W N . 18878 1 1025 . 1 1 87 87 TRP NE1 N 15 130.945 0.014 . 1 . . . . 82 W NE1 . 18878 1 1026 . 1 1 88 88 GLU H H 1 8.760 0.001 . 1 . . . . 83 E H . 18878 1 1027 . 1 1 88 88 GLU HA H 1 3.404 0.003 . 1 . . . . 83 E HA . 18878 1 1028 . 1 1 88 88 GLU HB2 H 1 2.047 0.000 . 2 . . . . 83 E HB2 . 18878 1 1029 . 1 1 88 88 GLU HB3 H 1 2.364 0.003 . 2 . . . . 83 E HB3 . 18878 1 1030 . 1 1 88 88 GLU HG2 H 1 3.225 0.005 . 2 . . . . 83 E HG2 . 18878 1 1031 . 1 1 88 88 GLU HG3 H 1 2.669 0.005 . 2 . . . . 83 E HG3 . 18878 1 1032 . 1 1 88 88 GLU C C 13 178.524 0.000 . 1 . . . . 83 E C . 18878 1 1033 . 1 1 88 88 GLU CA C 13 60.048 0.022 . 1 . . . . 83 E CA . 18878 1 1034 . 1 1 88 88 GLU CB C 13 31.038 0.086 . 1 . . . . 83 E CB . 18878 1 1035 . 1 1 88 88 GLU CG C 13 37.183 0.024 . 1 . . . . 83 E CG . 18878 1 1036 . 1 1 88 88 GLU N N 15 120.602 0.019 . 1 . . . . 83 E N . 18878 1 1037 . 1 1 89 89 ILE H H 1 7.630 0.003 . 1 . . . . 84 I H . 18878 1 1038 . 1 1 89 89 ILE HA H 1 2.451 0.002 . 1 . . . . 84 I HA . 18878 1 1039 . 1 1 89 89 ILE HB H 1 0.749 0.002 . 1 . . . . 84 I HB . 18878 1 1040 . 1 1 89 89 ILE HG12 H 1 0.001 0.007 . 2 . . . . 84 I HG12 . 18878 1 1041 . 1 1 89 89 ILE HG13 H 1 0.991 0.000 . 2 . . . . 84 I HG13 . 18878 1 1042 . 1 1 89 89 ILE HG21 H 1 0.610 0.003 . 1 . . . . 84 I QG2 . 18878 1 1043 . 1 1 89 89 ILE HG22 H 1 0.610 0.003 . 1 . . . . 84 I QG2 . 18878 1 1044 . 1 1 89 89 ILE HG23 H 1 0.610 0.003 . 1 . . . . 84 I QG2 . 18878 1 1045 . 1 1 89 89 ILE HD11 H 1 0.288 0.005 . 1 . . . . 84 I QD1 . 18878 1 1046 . 1 1 89 89 ILE HD12 H 1 0.288 0.005 . 1 . . . . 84 I QD1 . 18878 1 1047 . 1 1 89 89 ILE HD13 H 1 0.288 0.005 . 1 . . . . 84 I QD1 . 18878 1 1048 . 1 1 89 89 ILE C C 13 173.659 0.000 . 1 . . . . 84 I C . 18878 1 1049 . 1 1 89 89 ILE CA C 13 65.219 0.024 . 1 . . . . 84 I CA . 18878 1 1050 . 1 1 89 89 ILE CB C 13 37.269 0.060 . 1 . . . . 84 I CB . 18878 1 1051 . 1 1 89 89 ILE CG1 C 13 30.957 0.032 . 1 . . . . 84 I CG1 . 18878 1 1052 . 1 1 89 89 ILE CG2 C 13 16.190 0.063 . 1 . . . . 84 I CG2 . 18878 1 1053 . 1 1 89 89 ILE CD1 C 13 15.240 0.052 . 1 . . . . 84 I CD1 . 18878 1 1054 . 1 1 89 89 ILE N N 15 117.971 0.020 . 1 . . . . 84 I N . 18878 1 1055 . 1 1 90 90 ASP H H 1 5.885 0.008 . 1 . . . . 85 D H . 18878 1 1056 . 1 1 90 90 ASP HA H 1 4.569 0.004 . 1 . . . . 85 D HA . 18878 1 1057 . 1 1 90 90 ASP HB2 H 1 2.242 0.005 . 2 . . . . 85 D HB2 . 18878 1 1058 . 1 1 90 90 ASP HB3 H 1 2.394 0.004 . 2 . . . . 85 D HB3 . 18878 1 1059 . 1 1 90 90 ASP C C 13 177.292 0.000 . 1 . . . . 85 D C . 18878 1 1060 . 1 1 90 90 ASP CA C 13 54.900 0.018 . 1 . . . . 85 D CA . 18878 1 1061 . 1 1 90 90 ASP CB C 13 42.454 0.047 . 1 . . . . 85 D CB . 18878 1 1062 . 1 1 90 90 ASP N N 15 114.517 0.035 . 1 . . . . 85 D N . 18878 1 1063 . 1 1 91 91 ASN H H 1 7.457 0.005 . 1 . . . . 86 N H . 18878 1 1064 . 1 1 91 91 ASN HA H 1 4.416 0.003 . 1 . . . . 86 N HA . 18878 1 1065 . 1 1 91 91 ASN HB2 H 1 1.642 0.006 . 2 . . . . 86 N HB2 . 18878 1 1066 . 1 1 91 91 ASN HB3 H 1 0.430 0.004 . 2 . . . . 86 N HB3 . 18878 1 1067 . 1 1 91 91 ASN HD21 H 1 6.867 0.004 . 2 . . . . 86 N HD21 . 18878 1 1068 . 1 1 91 91 ASN HD22 H 1 6.174 0.006 . 2 . . . . 86 N HD22 . 18878 1 1069 . 1 1 91 91 ASN C C 13 174.511 0.000 . 1 . . . . 86 N C . 18878 1 1070 . 1 1 91 91 ASN CA C 13 54.522 0.044 . 1 . . . . 86 N CA . 18878 1 1071 . 1 1 91 91 ASN CB C 13 40.574 0.031 . 1 . . . . 86 N CB . 18878 1 1072 . 1 1 91 91 ASN N N 15 114.352 0.020 . 1 . . . . 86 N N . 18878 1 1073 . 1 1 91 91 ASN ND2 N 15 116.940 0.078 . 1 . . . . 86 N ND2 . 18878 1 1074 . 1 1 92 92 ASN H H 1 9.204 0.002 . 1 . . . . 87 N H . 18878 1 1075 . 1 1 92 92 ASN HA H 1 4.988 0.005 . 1 . . . . 87 N HA . 18878 1 1076 . 1 1 92 92 ASN HB2 H 1 2.470 0.005 . 2 . . . . 87 N HB2 . 18878 1 1077 . 1 1 92 92 ASN HB3 H 1 2.906 0.004 . 2 . . . . 87 N HB3 . 18878 1 1078 . 1 1 92 92 ASN HD21 H 1 8.049 0.000 . 2 . . . . 87 N HD21 . 18878 1 1079 . 1 1 92 92 ASN HD22 H 1 7.065 0.002 . 2 . . . . 87 N HD22 . 18878 1 1080 . 1 1 92 92 ASN CA C 13 51.606 0.017 . 1 . . . . 87 N CA . 18878 1 1081 . 1 1 92 92 ASN CB C 13 38.857 0.043 . 1 . . . . 87 N CB . 18878 1 1082 . 1 1 92 92 ASN N N 15 119.162 0.028 . 1 . . . . 87 N N . 18878 1 1083 . 1 1 92 92 ASN ND2 N 15 110.458 0.068 . 1 . . . . 87 N ND2 . 18878 1 1084 . 1 1 93 93 PRO HA H 1 4.287 0.003 . 1 . . . . 88 P HA . 18878 1 1085 . 1 1 93 93 PRO HD2 H 1 2.968 0.004 . 2 . . . . 88 P HD2 . 18878 1 1086 . 1 1 93 93 PRO HD3 H 1 3.466 0.003 . 2 . . . . 88 P HD3 . 18878 1 1087 . 1 1 93 93 PRO C C 13 177.884 0.000 . 1 . . . . 88 P C . 18878 1 1088 . 1 1 93 93 PRO CA C 13 64.579 0.029 . 1 . . . . 88 P CA . 18878 1 1089 . 1 1 93 93 PRO CB C 13 31.926 0.004 . 1 . . . . 88 P CB . 18878 1 1090 . 1 1 93 93 PRO CG C 13 27.392 0.054 . 1 . . . . 88 P CG . 18878 1 1091 . 1 1 93 93 PRO CD C 13 50.417 0.046 . 1 . . . . 88 P CD . 18878 1 1092 . 1 1 94 94 LYS H H 1 8.255 0.005 . 1 . . . . 89 K H . 18878 1 1093 . 1 1 94 94 LYS HA H 1 4.279 0.003 . 1 . . . . 89 K HA . 18878 1 1094 . 1 1 94 94 LYS HB2 H 1 1.672 0.002 . 2 . . . . 89 K HB2 . 18878 1 1095 . 1 1 94 94 LYS HB3 H 1 1.961 0.000 . 2 . . . . 89 K HB3 . 18878 1 1096 . 1 1 94 94 LYS HG2 H 1 1.321 0.006 . 2 . . . . 89 K HG2 . 18878 1 1097 . 1 1 94 94 LYS HG3 H 1 1.215 0.004 . 2 . . . . 89 K HG3 . 18878 1 1098 . 1 1 94 94 LYS HD2 H 1 1.551 0.000 . 2 . . . . 89 K HD# . 18878 1 1099 . 1 1 94 94 LYS HD3 H 1 1.551 0.000 . 2 . . . . 89 K HD# . 18878 1 1100 . 1 1 94 94 LYS HE2 H 1 2.903 0.002 . 2 . . . . 89 K HE# . 18878 1 1101 . 1 1 94 94 LYS HE3 H 1 2.903 0.002 . 2 . . . . 89 K HE# . 18878 1 1102 . 1 1 94 94 LYS C C 13 176.891 0.000 . 1 . . . . 89 K C . 18878 1 1103 . 1 1 94 94 LYS CA C 13 55.216 0.054 . 1 . . . . 89 K CA . 18878 1 1104 . 1 1 94 94 LYS CB C 13 31.584 0.073 . 1 . . . . 89 K CB . 18878 1 1105 . 1 1 94 94 LYS CG C 13 25.173 0.098 . 1 . . . . 89 K CG . 18878 1 1106 . 1 1 94 94 LYS CD C 13 29.055 0.000 . 1 . . . . 89 K CD . 18878 1 1107 . 1 1 94 94 LYS CE C 13 42.116 0.000 . 1 . . . . 89 K CE . 18878 1 1108 . 1 1 94 94 LYS N N 15 118.018 0.034 . 1 . . . . 89 K N . 18878 1 1109 . 1 1 95 95 VAL H H 1 7.335 0.003 . 1 . . . . 90 V H . 18878 1 1110 . 1 1 95 95 VAL HA H 1 3.781 0.003 . 1 . . . . 90 V HA . 18878 1 1111 . 1 1 95 95 VAL HB H 1 2.360 0.002 . 1 . . . . 90 V HB . 18878 1 1112 . 1 1 95 95 VAL HG11 H 1 1.179 0.003 . 2 . . . . 90 V QG1 . 18878 1 1113 . 1 1 95 95 VAL HG12 H 1 1.179 0.003 . 2 . . . . 90 V QG1 . 18878 1 1114 . 1 1 95 95 VAL HG13 H 1 1.179 0.003 . 2 . . . . 90 V QG1 . 18878 1 1115 . 1 1 95 95 VAL HG21 H 1 0.992 0.003 . 2 . . . . 90 V QG2 . 18878 1 1116 . 1 1 95 95 VAL HG22 H 1 0.992 0.003 . 2 . . . . 90 V QG2 . 18878 1 1117 . 1 1 95 95 VAL HG23 H 1 0.992 0.003 . 2 . . . . 90 V QG2 . 18878 1 1118 . 1 1 95 95 VAL C C 13 173.196 0.000 . 1 . . . . 90 V C . 18878 1 1119 . 1 1 95 95 VAL CA C 13 62.767 0.032 . 1 . . . . 90 V CA . 18878 1 1120 . 1 1 95 95 VAL CB C 13 31.517 0.046 . 1 . . . . 90 V CB . 18878 1 1121 . 1 1 95 95 VAL CG1 C 13 19.343 0.037 . 2 . . . . 90 V CG1 . 18878 1 1122 . 1 1 95 95 VAL CG2 C 13 21.962 0.026 . 2 . . . . 90 V CG2 . 18878 1 1123 . 1 1 95 95 VAL N N 15 121.764 0.046 . 1 . . . . 90 V N . 18878 1 1124 . 1 1 96 96 LYS H H 1 8.218 0.009 . 1 . . . . 91 K H . 18878 1 1125 . 1 1 96 96 LYS HA H 1 4.109 0.004 . 1 . . . . 91 K HA . 18878 1 1126 . 1 1 96 96 LYS HB2 H 1 1.512 0.003 . 2 . . . . 91 K HB2 . 18878 1 1127 . 1 1 96 96 LYS HB3 H 1 1.696 0.007 . 2 . . . . 91 K HB3 . 18878 1 1128 . 1 1 96 96 LYS HG2 H 1 1.324 0.000 . 2 . . . . 91 K HG2 . 18878 1 1129 . 1 1 96 96 LYS HG3 H 1 1.206 0.000 . 2 . . . . 91 K HG3 . 18878 1 1130 . 1 1 96 96 LYS C C 13 175.429 0.000 . 1 . . . . 91 K C . 18878 1 1131 . 1 1 96 96 LYS CA C 13 55.524 0.036 . 1 . . . . 91 K CA . 18878 1 1132 . 1 1 96 96 LYS CB C 13 33.713 0.065 . 1 . . . . 91 K CB . 18878 1 1133 . 1 1 96 96 LYS CG C 13 24.688 0.022 . 1 . . . . 91 K CG . 18878 1 1134 . 1 1 96 96 LYS CD C 13 29.037 0.039 . 1 . . . . 91 K CD . 18878 1 1135 . 1 1 96 96 LYS CE C 13 42.087 0.000 . 1 . . . . 91 K CE . 18878 1 1136 . 1 1 96 96 LYS N N 15 123.502 0.034 . 1 . . . . 91 K N . 18878 1 1137 . 1 1 97 97 PHE H H 1 8.259 0.006 . 1 . . . . 92 F H . 18878 1 1138 . 1 1 97 97 PHE HA H 1 4.481 0.006 . 1 . . . . 92 F HA . 18878 1 1139 . 1 1 97 97 PHE HB2 H 1 2.857 0.004 . 2 . . . . 92 F HB2 . 18878 1 1140 . 1 1 97 97 PHE HB3 H 1 3.054 0.004 . 2 . . . . 92 F HB3 . 18878 1 1141 . 1 1 97 97 PHE HD1 H 1 7.192 0.003 . 3 . . . . 92 F HD# . 18878 1 1142 . 1 1 97 97 PHE HD2 H 1 7.192 0.003 . 3 . . . . 92 F HD# . 18878 1 1143 . 1 1 97 97 PHE C C 13 175.460 0.000 . 1 . . . . 92 F C . 18878 1 1144 . 1 1 97 97 PHE CA C 13 58.222 0.069 . 1 . . . . 92 F CA . 18878 1 1145 . 1 1 97 97 PHE CB C 13 40.677 0.073 . 1 . . . . 92 F CB . 18878 1 1146 . 1 1 97 97 PHE CD1 C 13 131.581 0.000 . 3 . . . . 92 F CD1 . 18878 1 1147 . 1 1 97 97 PHE N N 15 121.039 0.073 . 1 . . . . 92 F N . 18878 1 1148 . 1 1 98 98 SER H H 1 8.158 0.002 . 1 . . . . 93 S H . 18878 1 1149 . 1 1 98 98 SER HA H 1 4.407 0.003 . 1 . . . . 93 S HA . 18878 1 1150 . 1 1 98 98 SER HB2 H 1 3.749 0.004 . 2 . . . . 93 S HB# . 18878 1 1151 . 1 1 98 98 SER HB3 H 1 3.749 0.004 . 2 . . . . 93 S HB# . 18878 1 1152 . 1 1 98 98 SER C C 13 174.096 0.000 . 1 . . . . 93 S C . 18878 1 1153 . 1 1 98 98 SER CA C 13 57.780 0.033 . 1 . . . . 93 S CA . 18878 1 1154 . 1 1 98 98 SER CB C 13 63.994 0.015 . 1 . . . . 93 S CB . 18878 1 1155 . 1 1 98 98 SER N N 15 118.834 0.063 . 1 . . . . 93 S N . 18878 1 stop_ save_