data_6122 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 6122 _Entry.Title ; 1H/13C/15N assignment of the S1 domain of RNase E of E. coli ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2004-02-27 _Entry.Accession_date 2004-03-02 _Entry.Last_release_date 2004-09-01 _Entry.Original_release_date 2004-09-01 _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version 2.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype . _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 Mario Schubert . . . 6122 2 Robert Edge . E. . 6122 3 Paula Lario . . . 6122 4 Michael Cook . A. . 6122 5 Natalie Strynadka . C. . 6122 6 George Mackie . A. . 6122 7 Lawrence McIntosh . P. . 6122 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 6122 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '1H chemical shifts' 636 6122 '13C chemical shifts' 389 6122 '15N chemical shifts' 100 6122 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 . . 2004-09-01 2004-02-27 original author . 6122 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 6122 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID . _Citation.Full_citation . _Citation.Title 'Structural Characterization of the RNase E S1 domain and identification of its Oligonucleotide-binding and Dimerization Interfaces' _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'J. Mol. Biol.' _Citation.Journal_name_full . _Citation.Journal_volume 341 _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 37 _Citation.Page_last 54 _Citation.Year 2004 _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 Mario Schubert . . . 6122 1 2 Robert Edge . E. . 6122 1 3 Paula Lario . . . 6122 1 4 Michael Cook . A. . 6122 1 5 Natalie Strynadka . C. . 6122 1 6 George Mackie . A. . 6122 1 7 Lawrence McIntosh . P. . 6122 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 6122 _Assembly.ID 1 _Assembly.Name 'S1 monomer' _Assembly.BMRB_code . _Assembly.Number_of_components . _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds . _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state 'not present' _Assembly.Molecular_mass . _Assembly.Enzyme_commission_number . _Assembly.Details . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Assembly_type.Type _Assembly_type.Entry_ID _Assembly_type.Assembly_ID monomer 6122 1 stop_ 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 'S1 Rnase E' 1 $S1 . . . native . . . . . 6122 1 stop_ loop_ _Assembly_common_name.Name _Assembly_common_name.Type _Assembly_common_name.Entry_ID _Assembly_common_name.Assembly_ID 'S1 monomer' system 6122 1 'S1 monomer' abbreviation 6122 1 stop_ loop_ _Assembly_bio_function.Biological_function _Assembly_bio_function.Entry_ID _Assembly_bio_function.Assembly_ID 'RNase E plays a crucial role in mRNA degradation in E.coli' 6122 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_S1 _Entity.Sf_category entity _Entity.Sf_framecode S1 _Entity.Entry_ID 6122 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name 'S1 Rnase E' _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID . _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; GSHMLEQKKANIYKGKITRI EPSLEAAFVDYGAERHGFLP LKEIAREYFPANYSAHGRPN IKDVLREGQEVIVQIDKEER GNKGAALTTFISLAGS ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states . _Entity.Ambiguous_chem_comp_sites . _Entity.Nstd_monomer . _Entity.Nstd_chirality . _Entity.Nstd_linkage . _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 96 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic . _Entity.Thiol_state 'not present' _Entity.Src_method . _Entity.Parent_entity_ID 1 _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 10687 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date 2015-01-28 loop_ _Entity_db_link.Ordinal _Entity_db_link.Author_supplied _Entity_db_link.Database_code _Entity_db_link.Accession_code _Entity_db_link.Entry_mol_code _Entity_db_link.Entry_mol_name _Entity_db_link.Entry_experimental_method _Entity_db_link.Entry_structure_resolution _Entity_db_link.Entry_relation_type _Entity_db_link.Entry_details _Entity_db_link.Chimera_segment_ID _Entity_db_link.Seq_query_to_submitted_percent _Entity_db_link.Seq_subject_length _Entity_db_link.Seq_identity _Entity_db_link.Seq_positive _Entity_db_link.Seq_homology_expectation_val _Entity_db_link.Seq_align_begin _Entity_db_link.Seq_align_end _Entity_db_link.Seq_difference_details _Entity_db_link.Seq_alignment_details _Entity_db_link.Entry_ID _Entity_db_link.Entity_ID 1 no PDB 1SLJ . "Solution Structure Of The S1 Domain Of Rnase E From E. Coli" . . . . . 100.00 96 100.00 100.00 1.61e-62 . . . . 6122 1 2 no PDB 1SMX . "Crystal Structure Of The S1 Domain Of Rnase E From E. Coli (Native)" . . . . . 100.00 96 100.00 100.00 1.61e-62 . . . . 6122 1 3 no PDB 1SN8 . "Crystal Structure Of The S1 Domain Of Rnase E From E. Coli (Pb Derivative)" . . . . . 100.00 96 100.00 100.00 1.61e-62 . . . . 6122 1 4 no PDB 2BX2 . "Catalytic Domain Of E. Coli Rnase E" . . . . . 94.79 517 100.00 100.00 2.18e-54 . . . . 6122 1 5 no PDB 2C0B . "Catalytic Domain Of E. Coli Rnase E In Complex With 13-Mer Rna" . . . . . 94.79 517 100.00 100.00 2.18e-54 . . . . 6122 1 6 no PDB 2C4R . "Catalytic Domain Of E. Coli Rnase E" . . . . . 94.79 517 100.00 100.00 2.18e-54 . . . . 6122 1 7 no PDB 2VMK . "Crystal Structure Of E. Coli Rnase E Apoprotein - Catalytic Domain" . . . . . 94.79 515 100.00 100.00 1.84e-54 . . . . 6122 1 8 no PDB 2VRT . "Crystal Structure Of E. Coli Rnase E Possessing M1 Rna Fragments - Catalytic Domain" . . . . . 94.79 509 100.00 100.00 1.72e-54 . . . . 6122 1 9 no DBJ BAA35893 . "fused ribonucleaseE endoribonuclease and scaffold for formation of degradosome [Escherichia coli str. K-12 substr. W3110]" . . . . . 94.79 1061 100.00 100.00 1.01e-53 . . . . 6122 1 10 no DBJ BAB34885 . "RNase E [Escherichia coli O157:H7 str. Sakai]" . . . . . 94.79 1061 100.00 100.00 1.01e-53 . . . . 6122 1 11 no DBJ BAG76671 . "ribonuclease E [Escherichia coli SE11]" . . . . . 94.79 1061 100.00 100.00 9.36e-54 . . . . 6122 1 12 no DBJ BAH62786 . "RNase E [Klebsiella pneumoniae subsp. pneumoniae NTUH-K2044]" . . . . . 94.79 1077 98.90 100.00 3.48e-53 . . . . 6122 1 13 no DBJ BAI24718 . "fused ribonucleaseE: endoribonuclease/RNA-binding protein/RNA degradosome binding protein [Escherichia coli O26:H11 str. 11368]" . . . . . 94.79 1061 100.00 100.00 1.01e-53 . . . . 6122 1 14 no EMBL CAA38206 . "unnamed protein product [Escherichia coli K-12]" . . . . . 94.79 341 100.00 100.00 9.45e-56 . . . . 6122 1 15 no EMBL CAA47818 . "ams [Escherichia coli K-12]" . . . . . 94.79 1025 100.00 100.00 7.05e-54 . . . . 6122 1 16 no EMBL CAD08310 . "ribonuclease E [Salmonella enterica subsp. enterica serovar Typhi str. CT18]" . . . . . 94.79 1067 100.00 100.00 1.09e-53 . . . . 6122 1 17 no EMBL CAP75576 . "ribonuclease E [Escherichia coli LF82]" . . . . . 94.79 1061 100.00 100.00 9.18e-54 . . . . 6122 1 18 no EMBL CAQ31605 . "RNase E, subunit of ribonuclease E and degradosome [Escherichia coli BL21(DE3)]" . . . . . 94.79 1061 100.00 100.00 9.93e-54 . . . . 6122 1 19 no GB AAA23443 . "RNase E [Escherichia coli]" . . . . . 94.79 815 100.00 100.00 4.74e-54 . . . . 6122 1 20 no GB AAB27352 . "Ams=cell shape determining protein homolog {N-terminal} [Escherichia coli, Peptide, 489 aa]" . . . . . 94.79 489 100.00 100.00 1.12e-54 . . . . 6122 1 21 no GB AAC74168 . "endoribonuclease; RNA-binding protein;RNA degradosome binding protein [Escherichia coli str. K-12 substr. MG1655]" . . . . . 94.79 1061 100.00 100.00 1.01e-53 . . . . 6122 1 22 no GB AAG55830 . "RNase E, membrane attachment, mRNA turnover, maturation 5S RNA [Escherichia coli O157:H7 str. EDL933]" . . . . . 94.79 1061 100.00 100.00 1.01e-53 . . . . 6122 1 23 no GB AAL20115 . "RNase E [Salmonella enterica subsp. enterica serovar Typhimurium str. LT2]" . . . . . 94.79 1067 100.00 100.00 1.11e-53 . . . . 6122 1 24 no PIR AC0641 . "ribonuclease E (EC 3.1.4.-) [imported] - Salmonella enterica subsp. enterica serovar Typhi (strain CT18)" . . . . . 94.79 1067 100.00 100.00 1.09e-53 . . . . 6122 1 25 no REF NP_287218 . "ribonuclease E [Escherichia coli O157:H7 str. EDL933]" . . . . . 94.79 1061 100.00 100.00 1.01e-53 . . . . 6122 1 26 no REF NP_309489 . "ribonuclease E [Escherichia coli O157:H7 str. Sakai]" . . . . . 94.79 1061 100.00 100.00 1.01e-53 . . . . 6122 1 27 no REF NP_415602 . "endoribonuclease; RNA-binding protein;RNA degradosome binding protein [Escherichia coli str. K-12 substr. MG1655]" . . . . . 94.79 1061 100.00 100.00 1.01e-53 . . . . 6122 1 28 no REF NP_455679 . "ribonuclease E [Salmonella enterica subsp. enterica serovar Typhi str. CT18]" . . . . . 94.79 1067 100.00 100.00 1.09e-53 . . . . 6122 1 29 no REF NP_460156 . "ribonuclease E [Salmonella enterica subsp. enterica serovar Typhimurium str. LT2]" . . . . . 94.79 1067 100.00 100.00 1.11e-53 . . . . 6122 1 30 no SP P21513 . "RecName: Full=Ribonuclease E; Short=RNase E [Escherichia coli K-12]" . . . . . 94.79 1061 100.00 100.00 1.01e-53 . . . . 6122 1 stop_ loop_ _Entity_common_name.Name _Entity_common_name.Type _Entity_common_name.Entry_ID _Entity_common_name.Entity_ID 'S1 Rnase E' common 6122 1 'S1 Rnase E' variant 6122 1 'S1 Rnase E' abbreviation 6122 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 . 6122 1 2 -3 SER . 6122 1 3 -2 HIS . 6122 1 4 -1 MET . 6122 1 5 1 LEU . 6122 1 6 2 GLU . 6122 1 7 3 GLN . 6122 1 8 4 LYS . 6122 1 9 5 LYS . 6122 1 10 6 ALA . 6122 1 11 7 ASN . 6122 1 12 8 ILE . 6122 1 13 9 TYR . 6122 1 14 10 LYS . 6122 1 15 11 GLY . 6122 1 16 12 LYS . 6122 1 17 13 ILE . 6122 1 18 14 THR . 6122 1 19 15 ARG . 6122 1 20 16 ILE . 6122 1 21 17 GLU . 6122 1 22 18 PRO . 6122 1 23 19 SER . 6122 1 24 20 LEU . 6122 1 25 21 GLU . 6122 1 26 22 ALA . 6122 1 27 23 ALA . 6122 1 28 24 PHE . 6122 1 29 25 VAL . 6122 1 30 26 ASP . 6122 1 31 27 TYR . 6122 1 32 28 GLY . 6122 1 33 29 ALA . 6122 1 34 30 GLU . 6122 1 35 31 ARG . 6122 1 36 32 HIS . 6122 1 37 33 GLY . 6122 1 38 34 PHE . 6122 1 39 35 LEU . 6122 1 40 36 PRO . 6122 1 41 37 LEU . 6122 1 42 38 LYS . 6122 1 43 39 GLU . 6122 1 44 40 ILE . 6122 1 45 41 ALA . 6122 1 46 42 ARG . 6122 1 47 43 GLU . 6122 1 48 44 TYR . 6122 1 49 45 PHE . 6122 1 50 46 PRO . 6122 1 51 47 ALA . 6122 1 52 48 ASN . 6122 1 53 49 TYR . 6122 1 54 50 SER . 6122 1 55 51 ALA . 6122 1 56 52 HIS . 6122 1 57 53 GLY . 6122 1 58 54 ARG . 6122 1 59 55 PRO . 6122 1 60 56 ASN . 6122 1 61 57 ILE . 6122 1 62 58 LYS . 6122 1 63 59 ASP . 6122 1 64 60 VAL . 6122 1 65 61 LEU . 6122 1 66 62 ARG . 6122 1 67 63 GLU . 6122 1 68 64 GLY . 6122 1 69 65 GLN . 6122 1 70 66 GLU . 6122 1 71 67 VAL . 6122 1 72 68 ILE . 6122 1 73 69 VAL . 6122 1 74 70 GLN . 6122 1 75 71 ILE . 6122 1 76 72 ASP . 6122 1 77 73 LYS . 6122 1 78 74 GLU . 6122 1 79 75 GLU . 6122 1 80 76 ARG . 6122 1 81 77 GLY . 6122 1 82 78 ASN . 6122 1 83 79 LYS . 6122 1 84 80 GLY . 6122 1 85 81 ALA . 6122 1 86 82 ALA . 6122 1 87 83 LEU . 6122 1 88 84 THR . 6122 1 89 85 THR . 6122 1 90 86 PHE . 6122 1 91 87 ILE . 6122 1 92 88 SER . 6122 1 93 89 LEU . 6122 1 94 90 ALA . 6122 1 95 91 GLY . 6122 1 96 92 SER . 6122 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 6122 1 . SER 2 2 6122 1 . HIS 3 3 6122 1 . MET 4 4 6122 1 . LEU 5 5 6122 1 . GLU 6 6 6122 1 . GLN 7 7 6122 1 . LYS 8 8 6122 1 . LYS 9 9 6122 1 . ALA 10 10 6122 1 . ASN 11 11 6122 1 . ILE 12 12 6122 1 . TYR 13 13 6122 1 . LYS 14 14 6122 1 . GLY 15 15 6122 1 . LYS 16 16 6122 1 . ILE 17 17 6122 1 . THR 18 18 6122 1 . ARG 19 19 6122 1 . ILE 20 20 6122 1 . GLU 21 21 6122 1 . PRO 22 22 6122 1 . SER 23 23 6122 1 . LEU 24 24 6122 1 . GLU 25 25 6122 1 . ALA 26 26 6122 1 . ALA 27 27 6122 1 . PHE 28 28 6122 1 . VAL 29 29 6122 1 . ASP 30 30 6122 1 . TYR 31 31 6122 1 . GLY 32 32 6122 1 . ALA 33 33 6122 1 . GLU 34 34 6122 1 . ARG 35 35 6122 1 . HIS 36 36 6122 1 . GLY 37 37 6122 1 . PHE 38 38 6122 1 . LEU 39 39 6122 1 . PRO 40 40 6122 1 . LEU 41 41 6122 1 . LYS 42 42 6122 1 . GLU 43 43 6122 1 . ILE 44 44 6122 1 . ALA 45 45 6122 1 . ARG 46 46 6122 1 . GLU 47 47 6122 1 . TYR 48 48 6122 1 . PHE 49 49 6122 1 . PRO 50 50 6122 1 . ALA 51 51 6122 1 . ASN 52 52 6122 1 . TYR 53 53 6122 1 . SER 54 54 6122 1 . ALA 55 55 6122 1 . HIS 56 56 6122 1 . GLY 57 57 6122 1 . ARG 58 58 6122 1 . PRO 59 59 6122 1 . ASN 60 60 6122 1 . ILE 61 61 6122 1 . LYS 62 62 6122 1 . ASP 63 63 6122 1 . VAL 64 64 6122 1 . LEU 65 65 6122 1 . ARG 66 66 6122 1 . GLU 67 67 6122 1 . GLY 68 68 6122 1 . GLN 69 69 6122 1 . GLU 70 70 6122 1 . VAL 71 71 6122 1 . ILE 72 72 6122 1 . VAL 73 73 6122 1 . GLN 74 74 6122 1 . ILE 75 75 6122 1 . ASP 76 76 6122 1 . LYS 77 77 6122 1 . GLU 78 78 6122 1 . GLU 79 79 6122 1 . ARG 80 80 6122 1 . GLY 81 81 6122 1 . ASN 82 82 6122 1 . LYS 83 83 6122 1 . GLY 84 84 6122 1 . ALA 85 85 6122 1 . ALA 86 86 6122 1 . LEU 87 87 6122 1 . THR 88 88 6122 1 . THR 89 89 6122 1 . PHE 90 90 6122 1 . ILE 91 91 6122 1 . SER 92 92 6122 1 . LEU 93 93 6122 1 . ALA 94 94 6122 1 . GLY 95 95 6122 1 . SER 96 96 6122 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 6122 _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 $S1 . 562 organism . 'Escherichia coli' 'E. coli' . . Bacteria . Escherichia coli . . . . . . . . . . . . . . . . . . . . . 6122 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 6122 _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 $S1 . 'recombinant technology' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 6122 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 6122 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system . _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 'S1 Rnase E' '[U-13C; U-15N]' . . 1 $S1 . . 1.5 . . mM . . . . 6122 1 stop_ save_ ####################### # Sample conditions # ####################### save_Ex-cond_1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode Ex-cond_1 _Sample_condition_list.Entry_ID 6122 _Sample_condition_list.ID 1 _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID pH 6.5 . n/a 6122 1 temperature 303 . K 6122 1 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_1 _NMR_spectrometer.Entry_ID 6122 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Varian _NMR_spectrometer.Model Inova _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ save_spectrometer_2 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_2 _NMR_spectrometer.Entry_ID 6122 _NMR_spectrometer.ID 2 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Varian _NMR_spectrometer.Model Unity _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 500 save_ save_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode spectrometer_list _NMR_spectrometer_list.Entry_ID 6122 _NMR_spectrometer_list.ID 1 loop_ _NMR_spectrometer_view.ID _NMR_spectrometer_view.Name _NMR_spectrometer_view.Manufacturer _NMR_spectrometer_view.Model _NMR_spectrometer_view.Serial_number _NMR_spectrometer_view.Field_strength _NMR_spectrometer_view.Details _NMR_spectrometer_view.Citation_ID _NMR_spectrometer_view.Citation_label _NMR_spectrometer_view.Entry_ID _NMR_spectrometer_view.NMR_spectrometer_list_ID 1 spectrometer_1 Varian Inova . 600 . . . 6122 1 2 spectrometer_2 Varian Unity . 500 . . . 6122 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 6122 _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 HNCACB . . . . . . . . . . . 1 $sample_1 . . . 1 $Ex-cond_1 . . . . . . . . . . . . . . . . . . . . . 6122 1 2 CBCA(CO)NH . . . . . . . . . . . 1 $sample_1 . . . 1 $Ex-cond_1 . . . . . . . . . . . . . . . . . . . . . 6122 1 3 HNCO . . . . . . . . . . . 1 $sample_1 . . . 1 $Ex-cond_1 . . . . . . . . . . . . . . . . . . . . . 6122 1 4 H(CCO)NH-TOCSY . . . . . . . . . . . 1 $sample_1 . . . 1 $Ex-cond_1 . . . . . . . . . . . . . . . . . . . . . 6122 1 5 C(CO)NH-TOCSY . . . . . . . . . . . 1 $sample_1 . . . 1 $Ex-cond_1 . . . . . . . . . . . . . . . . . . . . . 6122 1 6 HACAN . . . . . . . . . . . 1 $sample_1 . . . 1 $Ex-cond_1 . . . . . . . . . . . . . . . . . . . . . 6122 1 7 CBHD . . . . . . . . . . . 1 $sample_1 . . . 1 $Ex-cond_1 . . . . . . . . . . . . . . . . . . . . . 6122 1 8 CBHE . . . . . . . . . . . 1 $sample_1 . . . 1 $Ex-cond_1 . . . . . . . . . . . . . . . . . . . . . 6122 1 9 EZ-HMQC-NH2 . . . . . . . . . . . 1 $sample_1 . . . 1 $Ex-cond_1 . . . . . . . . . . . . . . . . . . . . . 6122 1 stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chemical_shift_reference _Chem_shift_reference.Entry_ID 6122 _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 H 1 DSS 'methyl protons' . . . . ppm 0.00 external direct 1.00000 . . . 1 $entry_citation . . 1 $entry_citation 6122 1 N 15 DSS 'methyl protons' . . . . ppm 0.00 external direct 0.101329118 . . . 1 $entry_citation . . 1 $entry_citation 6122 1 C 13 DSS 'methyl protons' . . . . ppm 0.00 external direct 0.251449530 . . . 1 $entry_citation . . 1 $entry_citation 6122 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_chemical_shift _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode chemical_shift _Assigned_chem_shift_list.Entry_ID 6122 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $Ex-cond_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID . . 1 $sample_1 . 6122 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 5 5 LEU CA C 13 55.890 0.111 . 1 . . . . 1 . . . 6122 1 2 . 1 1 5 5 LEU CB C 13 42.576 0.029 . 1 . . . . 1 . . . 6122 1 3 . 1 1 5 5 LEU CD1 C 13 25.169 0.076 . 1 . . . . 1 . . . 6122 1 4 . 1 1 5 5 LEU CD2 C 13 23.896 0.139 . 1 . . . . 1 . . . 6122 1 5 . 1 1 5 5 LEU CG C 13 27.416 0.029 . 1 . . . . 1 . . . 6122 1 6 . 1 1 5 5 LEU HA H 1 4.364 0.003 . 1 . . . . 1 . . . 6122 1 7 . 1 1 5 5 LEU HB2 H 1 1.676 0.005 . 1 . . . . 1 . . . 6122 1 8 . 1 1 5 5 LEU HB3 H 1 1.676 0.005 . 1 . . . . 1 . . . 6122 1 9 . 1 1 5 5 LEU HD11 H 1 0.973 0.002 . 1 . . . . 1 . . . 6122 1 10 . 1 1 5 5 LEU HD12 H 1 0.973 0.002 . 1 . . . . 1 . . . 6122 1 11 . 1 1 5 5 LEU HD13 H 1 0.973 0.002 . 1 . . . . 1 . . . 6122 1 12 . 1 1 5 5 LEU HD21 H 1 0.918 0.003 . 1 . . . . 1 . . . 6122 1 13 . 1 1 5 5 LEU HD22 H 1 0.918 0.003 . 1 . . . . 1 . . . 6122 1 14 . 1 1 5 5 LEU HD23 H 1 0.918 0.003 . 1 . . . . 1 . . . 6122 1 15 . 1 1 5 5 LEU HG H 1 1.662 0.002 . 1 . . . . 1 . . . 6122 1 16 . 1 1 5 5 LEU H H 1 8.317 0.002 . 1 . . . . 1 . . . 6122 1 17 . 1 1 5 5 LEU N N 15 122.989 0.026 . 1 . . . . 1 . . . 6122 1 18 . 1 1 6 6 GLU CA C 13 57.034 0.016 . 1 . . . . 2 . . . 6122 1 19 . 1 1 6 6 GLU CB C 13 30.551 0.038 . 1 . . . . 2 . . . 6122 1 20 . 1 1 6 6 GLU CG C 13 36.645 0.023 . 1 . . . . 2 . . . 6122 1 21 . 1 1 6 6 GLU HA H 1 4.296 0.006 . 1 . . . . 2 . . . 6122 1 22 . 1 1 6 6 GLU HB2 H 1 2.083 0.004 . 2 . . . . 2 . . . 6122 1 23 . 1 1 6 6 GLU HB3 H 1 2.013 0.003 . 2 . . . . 2 . . . 6122 1 24 . 1 1 6 6 GLU HG2 H 1 2.304 0.005 . 1 . . . . 2 . . . 6122 1 25 . 1 1 6 6 GLU HG3 H 1 2.304 0.005 . 1 . . . . 2 . . . 6122 1 26 . 1 1 6 6 GLU H H 1 8.374 0.002 . 1 . . . . 2 . . . 6122 1 27 . 1 1 6 6 GLU N N 15 121.542 0.025 . 1 . . . . 2 . . . 6122 1 28 . 1 1 7 7 GLN CA C 13 56.381 0.125 . 1 . . . . 3 . . . 6122 1 29 . 1 1 7 7 GLN CB C 13 29.742 0.026 . 1 . . . . 3 . . . 6122 1 30 . 1 1 7 7 GLN CG C 13 34.184 0.024 . 1 . . . . 3 . . . 6122 1 31 . 1 1 7 7 GLN HA H 1 4.358 0.002 . 1 . . . . 3 . . . 6122 1 32 . 1 1 7 7 GLN HB2 H 1 2.146 0.006 . 2 . . . . 3 . . . 6122 1 33 . 1 1 7 7 GLN HB3 H 1 2.035 0.002 . 2 . . . . 3 . . . 6122 1 34 . 1 1 7 7 GLN HE21 H 1 7.553 0.005 . 1 . . . . 3 . . . 6122 1 35 . 1 1 7 7 GLN HE22 H 1 6.896 0.002 . 1 . . . . 3 . . . 6122 1 36 . 1 1 7 7 GLN HG2 H 1 2.404 0.004 . 1 . . . . 3 . . . 6122 1 37 . 1 1 7 7 GLN HG3 H 1 2.404 0.004 . 1 . . . . 3 . . . 6122 1 38 . 1 1 7 7 GLN H H 1 8.360 0.007 . 1 . . . . 3 . . . 6122 1 39 . 1 1 7 7 GLN N N 15 121.562 0.018 . 1 . . . . 3 . . . 6122 1 40 . 1 1 7 7 GLN NE2 N 15 112.351 0.010 . 1 . . . . 3 . . . 6122 1 41 . 1 1 8 8 LYS CA C 13 56.544 0.076 . 1 . . . . 4 . . . 6122 1 42 . 1 1 8 8 LYS CB C 13 33.306 0.000 . 1 . . . . 4 . . . 6122 1 43 . 1 1 8 8 LYS CD C 13 29.555 0.000 . 1 . . . . 4 . . . 6122 1 44 . 1 1 8 8 LYS CE C 13 42.504 0.000 . 1 . . . . 4 . . . 6122 1 45 . 1 1 8 8 LYS CG C 13 25.139 0.000 . 1 . . . . 4 . . . 6122 1 46 . 1 1 8 8 LYS HA H 1 4.353 0.002 . 1 . . . . 4 . . . 6122 1 47 . 1 1 8 8 LYS HE2 H 1 3.056 0.000 . 1 . . . . 4 . . . 6122 1 48 . 1 1 8 8 LYS HE3 H 1 3.056 0.000 . 1 . . . . 4 . . . 6122 1 49 . 1 1 8 8 LYS HG2 H 1 1.487 0.000 . 1 . . . . 4 . . . 6122 1 50 . 1 1 8 8 LYS HG3 H 1 1.487 0.000 . 1 . . . . 4 . . . 6122 1 51 . 1 1 8 8 LYS H H 1 8.345 0.003 . 1 . . . . 4 . . . 6122 1 52 . 1 1 8 8 LYS N N 15 122.547 0.064 . 1 . . . . 4 . . . 6122 1 53 . 1 1 9 9 LYS C C 13 176.151 0.000 . 1 . . . . 5 . . . 6122 1 54 . 1 1 9 9 LYS CA C 13 56.704 0.049 . 1 . . . . 5 . . . 6122 1 55 . 1 1 9 9 LYS CB C 13 33.356 0.073 . 1 . . . . 5 . . . 6122 1 56 . 1 1 9 9 LYS CD C 13 29.445 0.053 . 1 . . . . 5 . . . 6122 1 57 . 1 1 9 9 LYS CE C 13 42.523 0.014 . 1 . . . . 5 . . . 6122 1 58 . 1 1 9 9 LYS CG C 13 25.126 0.034 . 1 . . . . 5 . . . 6122 1 59 . 1 1 9 9 LYS HA H 1 4.342 0.002 . 1 . . . . 5 . . . 6122 1 60 . 1 1 9 9 LYS HB2 H 1 1.887 0.001 . 2 . . . . 5 . . . 6122 1 61 . 1 1 9 9 LYS HB3 H 1 1.819 0.002 . 2 . . . . 5 . . . 6122 1 62 . 1 1 9 9 LYS HD2 H 1 1.733 0.003 . 1 . . . . 5 . . . 6122 1 63 . 1 1 9 9 LYS HD3 H 1 1.733 0.003 . 1 . . . . 5 . . . 6122 1 64 . 1 1 9 9 LYS HE2 H 1 3.054 0.002 . 1 . . . . 5 . . . 6122 1 65 . 1 1 9 9 LYS HE3 H 1 3.054 0.002 . 1 . . . . 5 . . . 6122 1 66 . 1 1 9 9 LYS HG2 H 1 1.487 0.005 . 1 . . . . 5 . . . 6122 1 67 . 1 1 9 9 LYS HG3 H 1 1.487 0.005 . 1 . . . . 5 . . . 6122 1 68 . 1 1 9 9 LYS H H 1 8.346 0.003 . 1 . . . . 5 . . . 6122 1 69 . 1 1 9 9 LYS N N 15 122.446 0.039 . 1 . . . . 5 . . . 6122 1 70 . 1 1 10 10 ALA C C 13 177.035 0.000 . 1 . . . . 6 . . . 6122 1 71 . 1 1 10 10 ALA CA C 13 52.616 0.042 . 1 . . . . 6 . . . 6122 1 72 . 1 1 10 10 ALA CB C 13 19.803 0.062 . 1 . . . . 6 . . . 6122 1 73 . 1 1 10 10 ALA HA H 1 4.372 0.005 . 1 . . . . 6 . . . 6122 1 74 . 1 1 10 10 ALA HB1 H 1 1.417 0.009 . 1 . . . . 6 . . . 6122 1 75 . 1 1 10 10 ALA HB2 H 1 1.417 0.009 . 1 . . . . 6 . . . 6122 1 76 . 1 1 10 10 ALA HB3 H 1 1.417 0.009 . 1 . . . . 6 . . . 6122 1 77 . 1 1 10 10 ALA H H 1 8.291 0.003 . 1 . . . . 6 . . . 6122 1 78 . 1 1 10 10 ALA N N 15 124.617 0.034 . 1 . . . . 6 . . . 6122 1 79 . 1 1 11 11 ASN C C 13 173.411 0.000 . 1 . . . . 7 . . . 6122 1 80 . 1 1 11 11 ASN CA C 13 53.495 0.033 . 1 . . . . 7 . . . 6122 1 81 . 1 1 11 11 ASN CB C 13 39.137 0.048 . 1 . . . . 7 . . . 6122 1 82 . 1 1 11 11 ASN CG C 13 177.166 0.009 . 1 . . . . 7 . . . 6122 1 83 . 1 1 11 11 ASN HA H 1 4.633 0.002 . 1 . . . . 7 . . . 6122 1 84 . 1 1 11 11 ASN HB2 H 1 2.708 0.004 . 2 . . . . 7 . . . 6122 1 85 . 1 1 11 11 ASN HB3 H 1 2.835 0.008 . 2 . . . . 7 . . . 6122 1 86 . 1 1 11 11 ASN HD21 H 1 7.499 0.002 . 1 . . . . 7 . . . 6122 1 87 . 1 1 11 11 ASN HD22 H 1 7.052 0.004 . 1 . . . . 7 . . . 6122 1 88 . 1 1 11 11 ASN H H 1 8.295 0.003 . 1 . . . . 7 . . . 6122 1 89 . 1 1 11 11 ASN N N 15 118.013 0.030 . 1 . . . . 7 . . . 6122 1 90 . 1 1 11 11 ASN ND2 N 15 112.147 0.021 . 1 . . . . 7 . . . 6122 1 91 . 1 1 12 12 ILE C C 13 174.817 0.000 . 1 . . . . 8 . . . 6122 1 92 . 1 1 12 12 ILE CA C 13 60.398 0.105 . 1 . . . . 8 . . . 6122 1 93 . 1 1 12 12 ILE CB C 13 40.685 0.039 . 1 . . . . 8 . . . 6122 1 94 . 1 1 12 12 ILE CD1 C 13 14.496 0.058 . 1 . . . . 8 . . . 6122 1 95 . 1 1 12 12 ILE CG1 C 13 27.739 0.053 . 1 . . . . 8 . . . 6122 1 96 . 1 1 12 12 ILE CG2 C 13 18.557 0.034 . 1 . . . . 8 . . . 6122 1 97 . 1 1 12 12 ILE HA H 1 4.723 0.005 . 1 . . . . 8 . . . 6122 1 98 . 1 1 12 12 ILE HB H 1 1.545 0.004 . 1 . . . . 8 . . . 6122 1 99 . 1 1 12 12 ILE HD11 H 1 0.809 0.003 . 1 . . . . 8 . . . 6122 1 100 . 1 1 12 12 ILE HD12 H 1 0.809 0.003 . 1 . . . . 8 . . . 6122 1 101 . 1 1 12 12 ILE HD13 H 1 0.809 0.003 . 1 . . . . 8 . . . 6122 1 102 . 1 1 12 12 ILE HG12 H 1 0.885 0.001 . 2 . . . . 8 . . . 6122 1 103 . 1 1 12 12 ILE HG13 H 1 1.497 0.000 . 2 . . . . 8 . . . 6122 1 104 . 1 1 12 12 ILE HG21 H 1 0.778 0.001 . 1 . . . . 8 . . . 6122 1 105 . 1 1 12 12 ILE HG22 H 1 0.778 0.001 . 1 . . . . 8 . . . 6122 1 106 . 1 1 12 12 ILE HG23 H 1 0.778 0.001 . 1 . . . . 8 . . . 6122 1 107 . 1 1 12 12 ILE H H 1 7.379 0.005 . 1 . . . . 8 . . . 6122 1 108 . 1 1 12 12 ILE N N 15 118.280 0.043 . 1 . . . . 8 . . . 6122 1 109 . 1 1 13 13 TYR C C 13 174.549 0.000 . 1 . . . . 9 . . . 6122 1 110 . 1 1 13 13 TYR CA C 13 56.986 0.045 . 1 . . . . 9 . . . 6122 1 111 . 1 1 13 13 TYR CB C 13 43.272 0.037 . 1 . . . . 9 . . . 6122 1 112 . 1 1 13 13 TYR CD1 C 13 133.848 0.055 . 3 . . . . 9 . . . 6122 1 113 . 1 1 13 13 TYR CE1 C 13 118.320 0.073 . 3 . . . . 9 . . . 6122 1 114 . 1 1 13 13 TYR HA H 1 4.909 0.007 . 1 . . . . 9 . . . 6122 1 115 . 1 1 13 13 TYR HB2 H 1 2.434 0.006 . 1 . . . . 9 . . . 6122 1 116 . 1 1 13 13 TYR HB3 H 1 3.302 0.011 . 1 . . . . 9 . . . 6122 1 117 . 1 1 13 13 TYR HD1 H 1 7.091 0.007 . 3 . . . . 9 . . . 6122 1 118 . 1 1 13 13 TYR HE1 H 1 6.872 0.004 . 3 . . . . 9 . . . 6122 1 119 . 1 1 13 13 TYR H H 1 9.224 0.006 . 1 . . . . 9 . . . 6122 1 120 . 1 1 13 13 TYR N N 15 122.912 0.046 . 1 . . . . 9 . . . 6122 1 121 . 1 1 14 14 LYS C C 13 176.174 0.000 . 1 . . . . 10 . . . 6122 1 122 . 1 1 14 14 LYS CA C 13 56.340 0.093 . 1 . . . . 10 . . . 6122 1 123 . 1 1 14 14 LYS CB C 13 32.950 0.036 . 1 . . . . 10 . . . 6122 1 124 . 1 1 14 14 LYS CD C 13 29.642 0.030 . 1 . . . . 10 . . . 6122 1 125 . 1 1 14 14 LYS CE C 13 42.212 0.001 . 1 . . . . 10 . . . 6122 1 126 . 1 1 14 14 LYS CG C 13 25.512 0.013 . 1 . . . . 10 . . . 6122 1 127 . 1 1 14 14 LYS HA H 1 4.849 0.001 . 1 . . . . 10 . . . 6122 1 128 . 1 1 14 14 LYS HB2 H 1 1.888 0.002 . 2 . . . . 10 . . . 6122 1 129 . 1 1 14 14 LYS HB3 H 1 1.734 0.001 . 2 . . . . 10 . . . 6122 1 130 . 1 1 14 14 LYS HD2 H 1 1.728 0.000 . 1 . . . . 10 . . . 6122 1 131 . 1 1 14 14 LYS HD3 H 1 1.728 0.000 . 1 . . . . 10 . . . 6122 1 132 . 1 1 14 14 LYS HE2 H 1 2.978 0.003 . 1 . . . . 10 . . . 6122 1 133 . 1 1 14 14 LYS HE3 H 1 2.978 0.003 . 1 . . . . 10 . . . 6122 1 134 . 1 1 14 14 LYS HG2 H 1 1.472 0.003 . 2 . . . . 10 . . . 6122 1 135 . 1 1 14 14 LYS HG3 H 1 1.381 0.005 . 2 . . . . 10 . . . 6122 1 136 . 1 1 14 14 LYS H H 1 8.742 0.004 . 1 . . . . 10 . . . 6122 1 137 . 1 1 14 14 LYS N N 15 122.029 0.031 . 1 . . . . 10 . . . 6122 1 138 . 1 1 15 15 GLY C C 13 171.618 0.000 . 1 . . . . 11 . . . 6122 1 139 . 1 1 15 15 GLY CA C 13 44.449 0.046 . 1 . . . . 11 . . . 6122 1 140 . 1 1 15 15 GLY HA2 H 1 3.161 0.005 . 2 . . . . 11 . . . 6122 1 141 . 1 1 15 15 GLY HA3 H 1 5.012 0.007 . 2 . . . . 11 . . . 6122 1 142 . 1 1 15 15 GLY H H 1 9.052 0.005 . 1 . . . . 11 . . . 6122 1 143 . 1 1 15 15 GLY N N 15 111.639 0.041 . 1 . . . . 11 . . . 6122 1 144 . 1 1 16 16 LYS C C 13 176.163 0.000 . 1 . . . . 12 . . . 6122 1 145 . 1 1 16 16 LYS CA C 13 54.286 0.038 . 1 . . . . 12 . . . 6122 1 146 . 1 1 16 16 LYS CB C 13 36.386 0.042 . 1 . . . . 12 . . . 6122 1 147 . 1 1 16 16 LYS CD C 13 29.627 0.047 . 1 . . . . 12 . . . 6122 1 148 . 1 1 16 16 LYS CE C 13 42.407 0.082 . 1 . . . . 12 . . . 6122 1 149 . 1 1 16 16 LYS CG C 13 25.104 0.023 . 1 . . . . 12 . . . 6122 1 150 . 1 1 16 16 LYS HA H 1 5.257 0.005 . 1 . . . . 12 . . . 6122 1 151 . 1 1 16 16 LYS HB2 H 1 1.663 0.003 . 1 . . . . 12 . . . 6122 1 152 . 1 1 16 16 LYS HB3 H 1 1.663 0.003 . 1 . . . . 12 . . . 6122 1 153 . 1 1 16 16 LYS HD2 H 1 1.714 0.002 . 1 . . . . 12 . . . 6122 1 154 . 1 1 16 16 LYS HD3 H 1 1.714 0.002 . 1 . . . . 12 . . . 6122 1 155 . 1 1 16 16 LYS HE2 H 1 3.018 0.004 . 1 . . . . 12 . . . 6122 1 156 . 1 1 16 16 LYS HE3 H 1 3.018 0.004 . 1 . . . . 12 . . . 6122 1 157 . 1 1 16 16 LYS HG2 H 1 1.372 0.004 . 2 . . . . 12 . . . 6122 1 158 . 1 1 16 16 LYS HG3 H 1 1.312 0.011 . 2 . . . . 12 . . . 6122 1 159 . 1 1 16 16 LYS H H 1 8.107 0.006 . 1 . . . . 12 . . . 6122 1 160 . 1 1 16 16 LYS N N 15 118.708 0.038 . 1 . . . . 12 . . . 6122 1 161 . 1 1 17 17 ILE C C 13 177.491 0.000 . 1 . . . . 13 . . . 6122 1 162 . 1 1 17 17 ILE CA C 13 60.624 0.049 . 1 . . . . 13 . . . 6122 1 163 . 1 1 17 17 ILE CB C 13 36.128 0.048 . 1 . . . . 13 . . . 6122 1 164 . 1 1 17 17 ILE CD1 C 13 12.432 0.044 . 1 . . . . 13 . . . 6122 1 165 . 1 1 17 17 ILE CG1 C 13 27.560 0.077 . 1 . . . . 13 . . . 6122 1 166 . 1 1 17 17 ILE CG2 C 13 18.695 0.117 . 1 . . . . 13 . . . 6122 1 167 . 1 1 17 17 ILE HA H 1 4.292 0.005 . 1 . . . . 13 . . . 6122 1 168 . 1 1 17 17 ILE HB H 1 2.391 0.004 . 1 . . . . 13 . . . 6122 1 169 . 1 1 17 17 ILE HD11 H 1 0.537 0.003 . 1 . . . . 13 . . . 6122 1 170 . 1 1 17 17 ILE HD12 H 1 0.537 0.003 . 1 . . . . 13 . . . 6122 1 171 . 1 1 17 17 ILE HD13 H 1 0.537 0.003 . 1 . . . . 13 . . . 6122 1 172 . 1 1 17 17 ILE HG12 H 1 1.532 0.004 . 2 . . . . 13 . . . 6122 1 173 . 1 1 17 17 ILE HG13 H 1 1.335 0.005 . 2 . . . . 13 . . . 6122 1 174 . 1 1 17 17 ILE HG21 H 1 0.776 0.004 . 1 . . . . 13 . . . 6122 1 175 . 1 1 17 17 ILE HG22 H 1 0.776 0.004 . 1 . . . . 13 . . . 6122 1 176 . 1 1 17 17 ILE HG23 H 1 0.776 0.004 . 1 . . . . 13 . . . 6122 1 177 . 1 1 17 17 ILE H H 1 8.817 0.004 . 1 . . . . 13 . . . 6122 1 178 . 1 1 17 17 ILE N N 15 123.482 0.036 . 1 . . . . 13 . . . 6122 1 179 . 1 1 18 18 THR C C 13 174.870 0.000 . 1 . . . . 14 . . . 6122 1 180 . 1 1 18 18 THR CA C 13 62.369 0.036 . 1 . . . . 14 . . . 6122 1 181 . 1 1 18 18 THR CB C 13 69.034 0.044 . 1 . . . . 14 . . . 6122 1 182 . 1 1 18 18 THR CG2 C 13 23.890 0.022 . 1 . . . . 14 . . . 6122 1 183 . 1 1 18 18 THR HA H 1 4.520 0.003 . 1 . . . . 14 . . . 6122 1 184 . 1 1 18 18 THR HB H 1 4.218 0.001 . 1 . . . . 14 . . . 6122 1 185 . 1 1 18 18 THR HG21 H 1 1.021 0.009 . 1 . . . . 14 . . . 6122 1 186 . 1 1 18 18 THR HG22 H 1 1.021 0.009 . 1 . . . . 14 . . . 6122 1 187 . 1 1 18 18 THR HG23 H 1 1.021 0.009 . 1 . . . . 14 . . . 6122 1 188 . 1 1 18 18 THR H H 1 9.219 0.005 . 1 . . . . 14 . . . 6122 1 189 . 1 1 18 18 THR N N 15 123.254 0.044 . 1 . . . . 14 . . . 6122 1 190 . 1 1 19 19 ARG C C 13 173.919 0.000 . 1 . . . . 15 . . . 6122 1 191 . 1 1 19 19 ARG CA C 13 55.996 0.022 . 1 . . . . 15 . . . 6122 1 192 . 1 1 19 19 ARG CB C 13 34.001 0.046 . 1 . . . . 15 . . . 6122 1 193 . 1 1 19 19 ARG CD C 13 43.727 0.044 . 1 . . . . 15 . . . 6122 1 194 . 1 1 19 19 ARG CG C 13 27.819 0.055 . 1 . . . . 15 . . . 6122 1 195 . 1 1 19 19 ARG HA H 1 4.747 0.004 . 1 . . . . 15 . . . 6122 1 196 . 1 1 19 19 ARG HB2 H 1 2.003 0.003 . 2 . . . . 15 . . . 6122 1 197 . 1 1 19 19 ARG HB3 H 1 1.882 0.004 . 2 . . . . 15 . . . 6122 1 198 . 1 1 19 19 ARG HD2 H 1 3.247 0.006 . 2 . . . . 15 . . . 6122 1 199 . 1 1 19 19 ARG HD3 H 1 3.069 0.002 . 2 . . . . 15 . . . 6122 1 200 . 1 1 19 19 ARG HE H 1 7.378 0.002 . 1 . . . . 15 . . . 6122 1 201 . 1 1 19 19 ARG HG2 H 1 1.665 0.010 . 2 . . . . 15 . . . 6122 1 202 . 1 1 19 19 ARG HG3 H 1 1.586 0.005 . 2 . . . . 15 . . . 6122 1 203 . 1 1 19 19 ARG H H 1 7.401 0.002 . 1 . . . . 15 . . . 6122 1 204 . 1 1 19 19 ARG N N 15 119.817 0.049 . 1 . . . . 15 . . . 6122 1 205 . 1 1 20 20 ILE C C 13 174.487 0.000 . 1 . . . . 16 . . . 6122 1 206 . 1 1 20 20 ILE CA C 13 61.492 0.048 . 1 . . . . 16 . . . 6122 1 207 . 1 1 20 20 ILE CB C 13 39.534 0.046 . 1 . . . . 16 . . . 6122 1 208 . 1 1 20 20 ILE CD1 C 13 14.304 0.035 . 1 . . . . 16 . . . 6122 1 209 . 1 1 20 20 ILE CG1 C 13 28.752 0.057 . 1 . . . . 16 . . . 6122 1 210 . 1 1 20 20 ILE CG2 C 13 19.615 0.034 . 1 . . . . 16 . . . 6122 1 211 . 1 1 20 20 ILE HA H 1 4.273 0.003 . 1 . . . . 16 . . . 6122 1 212 . 1 1 20 20 ILE HB H 1 1.823 0.004 . 1 . . . . 16 . . . 6122 1 213 . 1 1 20 20 ILE HD11 H 1 0.691 0.005 . 1 . . . . 16 . . . 6122 1 214 . 1 1 20 20 ILE HD12 H 1 0.691 0.005 . 1 . . . . 16 . . . 6122 1 215 . 1 1 20 20 ILE HD13 H 1 0.691 0.005 . 1 . . . . 16 . . . 6122 1 216 . 1 1 20 20 ILE HG12 H 1 1.456 0.006 . 2 . . . . 16 . . . 6122 1 217 . 1 1 20 20 ILE HG13 H 1 0.822 0.003 . 2 . . . . 16 . . . 6122 1 218 . 1 1 20 20 ILE HG21 H 1 0.712 0.006 . 1 . . . . 16 . . . 6122 1 219 . 1 1 20 20 ILE HG22 H 1 0.712 0.006 . 1 . . . . 16 . . . 6122 1 220 . 1 1 20 20 ILE HG23 H 1 0.712 0.006 . 1 . . . . 16 . . . 6122 1 221 . 1 1 20 20 ILE H H 1 9.369 0.004 . 1 . . . . 16 . . . 6122 1 222 . 1 1 20 20 ILE N N 15 126.355 0.045 . 1 . . . . 16 . . . 6122 1 223 . 1 1 21 21 GLU CA C 13 52.245 0.021 . 1 . . . . 17 . . . 6122 1 224 . 1 1 21 21 GLU CB C 13 31.433 0.033 . 1 . . . . 17 . . . 6122 1 225 . 1 1 21 21 GLU CG C 13 35.775 0.016 . 1 . . . . 17 . . . 6122 1 226 . 1 1 21 21 GLU HA H 1 5.340 0.002 . 1 . . . . 17 . . . 6122 1 227 . 1 1 21 21 GLU HB2 H 1 2.205 0.004 . 2 . . . . 17 . . . 6122 1 228 . 1 1 21 21 GLU HB3 H 1 1.873 0.003 . 2 . . . . 17 . . . 6122 1 229 . 1 1 21 21 GLU HG2 H 1 2.351 0.002 . 1 . . . . 17 . . . 6122 1 230 . 1 1 21 21 GLU HG3 H 1 2.351 0.002 . 1 . . . . 17 . . . 6122 1 231 . 1 1 21 21 GLU H H 1 8.831 0.006 . 1 . . . . 17 . . . 6122 1 232 . 1 1 21 21 GLU N N 15 127.473 0.035 . 1 . . . . 17 . . . 6122 1 233 . 1 1 22 22 PRO CA C 13 65.759 0.033 . 1 . . . . 18 . . . 6122 1 234 . 1 1 22 22 PRO CB C 13 32.573 0.047 . 1 . . . . 18 . . . 6122 1 235 . 1 1 22 22 PRO CD C 13 51.703 0.029 . 1 . . . . 18 . . . 6122 1 236 . 1 1 22 22 PRO CG C 13 28.296 0.048 . 1 . . . . 18 . . . 6122 1 237 . 1 1 22 22 PRO HA H 1 4.202 0.005 . 1 . . . . 18 . . . 6122 1 238 . 1 1 22 22 PRO HB2 H 1 2.553 0.005 . 2 . . . . 18 . . . 6122 1 239 . 1 1 22 22 PRO HB3 H 1 2.194 0.004 . 2 . . . . 18 . . . 6122 1 240 . 1 1 22 22 PRO HD2 H 1 3.900 0.004 . 2 . . . . 18 . . . 6122 1 241 . 1 1 22 22 PRO HD3 H 1 4.106 0.003 . 2 . . . . 18 . . . 6122 1 242 . 1 1 22 22 PRO HG2 H 1 2.341 0.003 . 2 . . . . 18 . . . 6122 1 243 . 1 1 22 22 PRO HG3 H 1 1.888 0.004 . 2 . . . . 18 . . . 6122 1 244 . 1 1 22 22 PRO N N 15 138.810 0.002 . 1 . . . . 18 . . . 6122 1 245 . 1 1 23 23 SER C C 13 175.271 0.000 . 1 . . . . 19 . . . 6122 1 246 . 1 1 23 23 SER CA C 13 61.745 0.110 . 1 . . . . 19 . . . 6122 1 247 . 1 1 23 23 SER CB C 13 62.752 0.054 . 1 . . . . 19 . . . 6122 1 248 . 1 1 23 23 SER HA H 1 4.371 0.005 . 1 . . . . 19 . . . 6122 1 249 . 1 1 23 23 SER HB2 H 1 4.052 0.002 . 1 . . . . 19 . . . 6122 1 250 . 1 1 23 23 SER HB3 H 1 4.052 0.002 . 1 . . . . 19 . . . 6122 1 251 . 1 1 23 23 SER N N 15 113.466 0.026 . 1 . . . . 19 . . . 6122 1 252 . 1 1 24 24 LEU C C 13 175.710 0.000 . 1 . . . . 20 . . . 6122 1 253 . 1 1 24 24 LEU CA C 13 54.015 0.066 . 1 . . . . 20 . . . 6122 1 254 . 1 1 24 24 LEU CB C 13 43.959 0.032 . 1 . . . . 20 . . . 6122 1 255 . 1 1 24 24 LEU CD1 C 13 25.847 0.060 . 1 . . . . 20 . . . 6122 1 256 . 1 1 24 24 LEU CD2 C 13 22.581 0.040 . 1 . . . . 20 . . . 6122 1 257 . 1 1 24 24 LEU CG C 13 26.959 0.032 . 1 . . . . 20 . . . 6122 1 258 . 1 1 24 24 LEU HA H 1 4.651 0.004 . 1 . . . . 20 . . . 6122 1 259 . 1 1 24 24 LEU HB2 H 1 1.712 0.003 . 1 . . . . 20 . . . 6122 1 260 . 1 1 24 24 LEU HB3 H 1 1.857 0.005 . 1 . . . . 20 . . . 6122 1 261 . 1 1 24 24 LEU HD11 H 1 1.111 0.004 . 1 . . . . 20 . . . 6122 1 262 . 1 1 24 24 LEU HD12 H 1 1.111 0.004 . 1 . . . . 20 . . . 6122 1 263 . 1 1 24 24 LEU HD13 H 1 1.111 0.004 . 1 . . . . 20 . . . 6122 1 264 . 1 1 24 24 LEU HD21 H 1 0.974 0.003 . 1 . . . . 20 . . . 6122 1 265 . 1 1 24 24 LEU HD22 H 1 0.974 0.003 . 1 . . . . 20 . . . 6122 1 266 . 1 1 24 24 LEU HD23 H 1 0.974 0.003 . 1 . . . . 20 . . . 6122 1 267 . 1 1 24 24 LEU HG H 1 1.763 0.001 . 1 . . . . 20 . . . 6122 1 268 . 1 1 24 24 LEU H H 1 7.304 0.005 . 1 . . . . 20 . . . 6122 1 269 . 1 1 24 24 LEU N N 15 119.485 0.046 . 1 . . . . 20 . . . 6122 1 270 . 1 1 25 25 GLU C C 13 174.275 0.000 . 1 . . . . 21 . . . 6122 1 271 . 1 1 25 25 GLU CA C 13 57.259 0.037 . 1 . . . . 21 . . . 6122 1 272 . 1 1 25 25 GLU CB C 13 28.413 0.053 . 1 . . . . 21 . . . 6122 1 273 . 1 1 25 25 GLU CG C 13 36.964 0.031 . 1 . . . . 21 . . . 6122 1 274 . 1 1 25 25 GLU HA H 1 3.791 0.003 . 1 . . . . 21 . . . 6122 1 275 . 1 1 25 25 GLU HB2 H 1 2.324 0.003 . 1 . . . . 21 . . . 6122 1 276 . 1 1 25 25 GLU HB3 H 1 2.216 0.002 . 1 . . . . 21 . . . 6122 1 277 . 1 1 25 25 GLU HG2 H 1 2.322 0.001 . 1 . . . . 21 . . . 6122 1 278 . 1 1 25 25 GLU HG3 H 1 2.322 0.001 . 1 . . . . 21 . . . 6122 1 279 . 1 1 25 25 GLU H H 1 7.979 0.005 . 1 . . . . 21 . . . 6122 1 280 . 1 1 25 25 GLU N N 15 116.181 0.031 . 1 . . . . 21 . . . 6122 1 281 . 1 1 26 26 ALA C C 13 173.713 0.000 . 1 . . . . 22 . . . 6122 1 282 . 1 1 26 26 ALA CA C 13 51.511 0.044 . 1 . . . . 22 . . . 6122 1 283 . 1 1 26 26 ALA CB C 13 25.542 0.016 . 1 . . . . 22 . . . 6122 1 284 . 1 1 26 26 ALA HA H 1 4.646 0.005 . 1 . . . . 22 . . . 6122 1 285 . 1 1 26 26 ALA HB1 H 1 0.573 0.004 . 1 . . . . 22 . . . 6122 1 286 . 1 1 26 26 ALA HB2 H 1 0.573 0.004 . 1 . . . . 22 . . . 6122 1 287 . 1 1 26 26 ALA HB3 H 1 0.573 0.004 . 1 . . . . 22 . . . 6122 1 288 . 1 1 26 26 ALA H H 1 7.326 0.006 . 1 . . . . 22 . . . 6122 1 289 . 1 1 26 26 ALA N N 15 117.019 0.031 . 1 . . . . 22 . . . 6122 1 290 . 1 1 27 27 ALA C C 13 174.371 0.000 . 1 . . . . 23 . . . 6122 1 291 . 1 1 27 27 ALA CA C 13 49.131 0.057 . 1 . . . . 23 . . . 6122 1 292 . 1 1 27 27 ALA CB C 13 23.461 0.039 . 1 . . . . 23 . . . 6122 1 293 . 1 1 27 27 ALA HA H 1 5.003 0.003 . 1 . . . . 23 . . . 6122 1 294 . 1 1 27 27 ALA HB1 H 1 1.155 0.003 . 1 . . . . 23 . . . 6122 1 295 . 1 1 27 27 ALA HB2 H 1 1.155 0.003 . 1 . . . . 23 . . . 6122 1 296 . 1 1 27 27 ALA HB3 H 1 1.155 0.003 . 1 . . . . 23 . . . 6122 1 297 . 1 1 27 27 ALA H H 1 8.171 0.004 . 1 . . . . 23 . . . 6122 1 298 . 1 1 27 27 ALA N N 15 120.489 0.047 . 1 . . . . 23 . . . 6122 1 299 . 1 1 28 28 PHE C C 13 176.554 0.000 . 1 . . . . 24 . . . 6122 1 300 . 1 1 28 28 PHE CA C 13 57.057 0.027 . 1 . . . . 24 . . . 6122 1 301 . 1 1 28 28 PHE CB C 13 41.328 0.036 . 1 . . . . 24 . . . 6122 1 302 . 1 1 28 28 PHE CD1 C 13 131.493 0.079 . 3 . . . . 24 . . . 6122 1 303 . 1 1 28 28 PHE CE1 C 13 131.421 0.050 . 3 . . . . 24 . . . 6122 1 304 . 1 1 28 28 PHE HA H 1 5.605 0.008 . 1 . . . . 24 . . . 6122 1 305 . 1 1 28 28 PHE HB2 H 1 2.936 0.007 . 1 . . . . 24 . . . 6122 1 306 . 1 1 28 28 PHE HB3 H 1 2.996 0.008 . 1 . . . . 24 . . . 6122 1 307 . 1 1 28 28 PHE HD1 H 1 7.118 0.005 . 3 . . . . 24 . . . 6122 1 308 . 1 1 28 28 PHE HE1 H 1 7.346 0.011 . 3 . . . . 24 . . . 6122 1 309 . 1 1 28 28 PHE H H 1 8.984 0.005 . 1 . . . . 24 . . . 6122 1 310 . 1 1 28 28 PHE N N 15 118.598 0.039 . 1 . . . . 24 . . . 6122 1 311 . 1 1 29 29 VAL C C 13 175.272 0.000 . 1 . . . . 25 . . . 6122 1 312 . 1 1 29 29 VAL CA C 13 60.747 0.036 . 1 . . . . 25 . . . 6122 1 313 . 1 1 29 29 VAL CB C 13 36.394 0.027 . 1 . . . . 25 . . . 6122 1 314 . 1 1 29 29 VAL CG1 C 13 21.557 0.041 . 1 . . . . 25 . . . 6122 1 315 . 1 1 29 29 VAL CG2 C 13 22.668 0.049 . 1 . . . . 25 . . . 6122 1 316 . 1 1 29 29 VAL HA H 1 4.655 0.002 . 1 . . . . 25 . . . 6122 1 317 . 1 1 29 29 VAL HB H 1 1.686 0.004 . 1 . . . . 25 . . . 6122 1 318 . 1 1 29 29 VAL HG11 H 1 0.565 0.005 . 1 . . . . 25 . . . 6122 1 319 . 1 1 29 29 VAL HG12 H 1 0.565 0.005 . 1 . . . . 25 . . . 6122 1 320 . 1 1 29 29 VAL HG13 H 1 0.565 0.005 . 1 . . . . 25 . . . 6122 1 321 . 1 1 29 29 VAL HG21 H 1 0.578 0.004 . 1 . . . . 25 . . . 6122 1 322 . 1 1 29 29 VAL HG22 H 1 0.578 0.004 . 1 . . . . 25 . . . 6122 1 323 . 1 1 29 29 VAL HG23 H 1 0.578 0.004 . 1 . . . . 25 . . . 6122 1 324 . 1 1 29 29 VAL H H 1 8.994 0.005 . 1 . . . . 25 . . . 6122 1 325 . 1 1 29 29 VAL N N 15 120.685 0.046 . 1 . . . . 25 . . . 6122 1 326 . 1 1 30 30 ASP C C 13 176.317 0.000 . 1 . . . . 26 . . . 6122 1 327 . 1 1 30 30 ASP CA C 13 52.990 0.046 . 1 . . . . 26 . . . 6122 1 328 . 1 1 30 30 ASP CB C 13 41.152 0.060 . 1 . . . . 26 . . . 6122 1 329 . 1 1 30 30 ASP HA H 1 5.078 0.005 . 1 . . . . 26 . . . 6122 1 330 . 1 1 30 30 ASP HB2 H 1 2.136 0.007 . 2 . . . . 26 . . . 6122 1 331 . 1 1 30 30 ASP HB3 H 1 2.773 0.005 . 2 . . . . 26 . . . 6122 1 332 . 1 1 30 30 ASP H H 1 8.979 0.005 . 1 . . . . 26 . . . 6122 1 333 . 1 1 30 30 ASP N N 15 127.234 0.040 . 1 . . . . 26 . . . 6122 1 334 . 1 1 31 31 TYR C C 13 174.441 0.000 . 1 . . . . 27 . . . 6122 1 335 . 1 1 31 31 TYR CA C 13 55.545 0.092 . 1 . . . . 27 . . . 6122 1 336 . 1 1 31 31 TYR CB C 13 38.251 0.066 . 1 . . . . 27 . . . 6122 1 337 . 1 1 31 31 TYR CD1 C 13 134.173 0.022 . 3 . . . . 27 . . . 6122 1 338 . 1 1 31 31 TYR CE1 C 13 116.960 0.048 . 3 . . . . 27 . . . 6122 1 339 . 1 1 31 31 TYR HA H 1 5.273 0.004 . 1 . . . . 27 . . . 6122 1 340 . 1 1 31 31 TYR HB2 H 1 3.131 0.008 . 2 . . . . 27 . . . 6122 1 341 . 1 1 31 31 TYR HB3 H 1 2.167 0.003 . 2 . . . . 27 . . . 6122 1 342 . 1 1 31 31 TYR HD1 H 1 6.570 0.006 . 3 . . . . 27 . . . 6122 1 343 . 1 1 31 31 TYR HE1 H 1 6.380 0.003 . 3 . . . . 27 . . . 6122 1 344 . 1 1 31 31 TYR H H 1 9.021 0.005 . 1 . . . . 27 . . . 6122 1 345 . 1 1 31 31 TYR N N 15 126.018 0.028 . 1 . . . . 27 . . . 6122 1 346 . 1 1 32 32 GLY C C 13 173.998 0.000 . 1 . . . . 28 . . . 6122 1 347 . 1 1 32 32 GLY CA C 13 45.597 0.045 . 1 . . . . 28 . . . 6122 1 348 . 1 1 32 32 GLY HA2 H 1 3.686 0.004 . 2 . . . . 28 . . . 6122 1 349 . 1 1 32 32 GLY HA3 H 1 4.207 0.004 . 2 . . . . 28 . . . 6122 1 350 . 1 1 32 32 GLY H H 1 8.248 0.005 . 1 . . . . 28 . . . 6122 1 351 . 1 1 32 32 GLY N N 15 109.736 0.024 . 1 . . . . 28 . . . 6122 1 352 . 1 1 33 33 ALA C C 13 177.160 0.000 . 1 . . . . 29 . . . 6122 1 353 . 1 1 33 33 ALA CA C 13 50.546 0.071 . 1 . . . . 29 . . . 6122 1 354 . 1 1 33 33 ALA CB C 13 20.483 0.037 . 1 . . . . 29 . . . 6122 1 355 . 1 1 33 33 ALA HA H 1 4.480 0.006 . 1 . . . . 29 . . . 6122 1 356 . 1 1 33 33 ALA HB1 H 1 1.106 0.006 . 1 . . . . 29 . . . 6122 1 357 . 1 1 33 33 ALA HB2 H 1 1.106 0.006 . 1 . . . . 29 . . . 6122 1 358 . 1 1 33 33 ALA HB3 H 1 1.106 0.006 . 1 . . . . 29 . . . 6122 1 359 . 1 1 33 33 ALA H H 1 6.807 0.006 . 1 . . . . 29 . . . 6122 1 360 . 1 1 33 33 ALA N N 15 122.818 0.034 . 1 . . . . 29 . . . 6122 1 361 . 1 1 34 34 GLU C C 13 176.693 0.000 . 1 . . . . 30 . . . 6122 1 362 . 1 1 34 34 GLU CA C 13 59.510 0.046 . 1 . . . . 30 . . . 6122 1 363 . 1 1 34 34 GLU CB C 13 29.973 0.036 . 1 . . . . 30 . . . 6122 1 364 . 1 1 34 34 GLU CG C 13 36.829 0.033 . 1 . . . . 30 . . . 6122 1 365 . 1 1 34 34 GLU HA H 1 3.932 0.005 . 1 . . . . 30 . . . 6122 1 366 . 1 1 34 34 GLU HB2 H 1 2.038 0.003 . 1 . . . . 30 . . . 6122 1 367 . 1 1 34 34 GLU HB3 H 1 2.038 0.003 . 1 . . . . 30 . . . 6122 1 368 . 1 1 34 34 GLU HG2 H 1 2.317 0.006 . 2 . . . . 30 . . . 6122 1 369 . 1 1 34 34 GLU HG3 H 1 2.238 0.016 . 2 . . . . 30 . . . 6122 1 370 . 1 1 34 34 GLU H H 1 8.704 0.006 . 1 . . . . 30 . . . 6122 1 371 . 1 1 34 34 GLU N N 15 120.453 0.032 . 1 . . . . 30 . . . 6122 1 372 . 1 1 35 35 ARG C C 13 177.330 0.000 . 1 . . . . 31 . . . 6122 1 373 . 1 1 35 35 ARG CA C 13 54.154 0.055 . 1 . . . . 31 . . . 6122 1 374 . 1 1 35 35 ARG CB C 13 32.407 0.037 . 1 . . . . 31 . . . 6122 1 375 . 1 1 35 35 ARG CD C 13 43.395 0.010 . 1 . . . . 31 . . . 6122 1 376 . 1 1 35 35 ARG CG C 13 27.490 0.025 . 1 . . . . 31 . . . 6122 1 377 . 1 1 35 35 ARG HA H 1 4.534 0.005 . 1 . . . . 31 . . . 6122 1 378 . 1 1 35 35 ARG HB2 H 1 1.618 0.005 . 2 . . . . 31 . . . 6122 1 379 . 1 1 35 35 ARG HD2 H 1 3.085 0.005 . 2 . . . . 31 . . . 6122 1 380 . 1 1 35 35 ARG HD3 H 1 2.991 0.003 . 2 . . . . 31 . . . 6122 1 381 . 1 1 35 35 ARG HG2 H 1 1.583 0.002 . 2 . . . . 31 . . . 6122 1 382 . 1 1 35 35 ARG H H 1 7.682 0.006 . 1 . . . . 31 . . . 6122 1 383 . 1 1 35 35 ARG N N 15 114.659 0.039 . 1 . . . . 31 . . . 6122 1 384 . 1 1 36 36 HIS C C 13 177.203 0.000 . 1 . . . . 32 . . . 6122 1 385 . 1 1 36 36 HIS CA C 13 56.070 0.047 . 1 . . . . 32 . . . 6122 1 386 . 1 1 36 36 HIS CB C 13 32.116 0.054 . 1 . . . . 32 . . . 6122 1 387 . 1 1 36 36 HIS CD2 C 13 117.056 0.060 . 1 . . . . 32 . . . 6122 1 388 . 1 1 36 36 HIS CE1 C 13 139.228 0.004 . 1 . . . . 32 . . . 6122 1 389 . 1 1 36 36 HIS HA H 1 5.087 0.005 . 1 . . . . 32 . . . 6122 1 390 . 1 1 36 36 HIS HB2 H 1 3.113 0.009 . 2 . . . . 32 . . . 6122 1 391 . 1 1 36 36 HIS HB3 H 1 3.326 0.007 . 2 . . . . 32 . . . 6122 1 392 . 1 1 36 36 HIS HD2 H 1 6.942 0.003 . 2 . . . . 32 . . . 6122 1 393 . 1 1 36 36 HIS HE1 H 1 7.848 0.004 . 2 . . . . 32 . . . 6122 1 394 . 1 1 36 36 HIS H H 1 8.828 0.009 . 1 . . . . 32 . . . 6122 1 395 . 1 1 36 36 HIS N N 15 124.774 0.049 . 1 . . . . 32 . . . 6122 1 396 . 1 1 36 36 HIS ND1 N 15 239.062 0.000 . 1 . . . . 32 . . . 6122 1 397 . 1 1 36 36 HIS NE2 N 15 171.677 0.010 . 1 . . . . 32 . . . 6122 1 398 . 1 1 37 37 GLY C C 13 171.588 0.000 . 1 . . . . 33 . . . 6122 1 399 . 1 1 37 37 GLY CA C 13 44.773 0.036 . 1 . . . . 33 . . . 6122 1 400 . 1 1 37 37 GLY HA2 H 1 3.620 0.005 . 2 . . . . 33 . . . 6122 1 401 . 1 1 37 37 GLY HA3 H 1 5.138 0.004 . 2 . . . . 33 . . . 6122 1 402 . 1 1 37 37 GLY H H 1 9.796 0.006 . 1 . . . . 33 . . . 6122 1 403 . 1 1 37 37 GLY N N 15 108.074 0.035 . 1 . . . . 33 . . . 6122 1 404 . 1 1 38 38 PHE C C 13 172.312 0.000 . 1 . . . . 34 . . . 6122 1 405 . 1 1 38 38 PHE CA C 13 57.369 0.025 . 1 . . . . 34 . . . 6122 1 406 . 1 1 38 38 PHE CB C 13 42.547 0.032 . 1 . . . . 34 . . . 6122 1 407 . 1 1 38 38 PHE CD1 C 13 131.819 0.109 . 3 . . . . 34 . . . 6122 1 408 . 1 1 38 38 PHE CE1 C 13 131.383 0.097 . 3 . . . . 34 . . . 6122 1 409 . 1 1 38 38 PHE CZ C 13 131.784 0.126 . 1 . . . . 34 . . . 6122 1 410 . 1 1 38 38 PHE HA H 1 4.617 0.006 . 1 . . . . 34 . . . 6122 1 411 . 1 1 38 38 PHE HB2 H 1 2.805 0.005 . 2 . . . . 34 . . . 6122 1 412 . 1 1 38 38 PHE HB3 H 1 2.974 0.004 . 2 . . . . 34 . . . 6122 1 413 . 1 1 38 38 PHE HD1 H 1 6.858 0.008 . 3 . . . . 34 . . . 6122 1 414 . 1 1 38 38 PHE HE1 H 1 7.172 0.006 . 3 . . . . 34 . . . 6122 1 415 . 1 1 38 38 PHE H H 1 9.130 0.006 . 1 . . . . 34 . . . 6122 1 416 . 1 1 38 38 PHE HZ H 1 7.224 0.009 . 1 . . . . 34 . . . 6122 1 417 . 1 1 38 38 PHE N N 15 122.535 0.030 . 1 . . . . 34 . . . 6122 1 418 . 1 1 39 39 LEU CA C 13 50.515 0.027 . 1 . . . . 35 . . . 6122 1 419 . 1 1 39 39 LEU CB C 13 45.487 0.045 . 1 . . . . 35 . . . 6122 1 420 . 1 1 39 39 LEU CD1 C 13 23.618 0.034 . 1 . . . . 35 . . . 6122 1 421 . 1 1 39 39 LEU CD2 C 13 26.106 0.059 . 1 . . . . 35 . . . 6122 1 422 . 1 1 39 39 LEU CG C 13 26.717 0.081 . 1 . . . . 35 . . . 6122 1 423 . 1 1 39 39 LEU HA H 1 4.986 0.004 . 1 . . . . 35 . . . 6122 1 424 . 1 1 39 39 LEU HB2 H 1 0.650 0.005 . 2 . . . . 35 . . . 6122 1 425 . 1 1 39 39 LEU HB3 H 1 1.682 0.008 . 2 . . . . 35 . . . 6122 1 426 . 1 1 39 39 LEU HD11 H 1 0.612 0.003 . 1 . . . . 35 . . . 6122 1 427 . 1 1 39 39 LEU HD12 H 1 0.612 0.003 . 1 . . . . 35 . . . 6122 1 428 . 1 1 39 39 LEU HD13 H 1 0.612 0.003 . 1 . . . . 35 . . . 6122 1 429 . 1 1 39 39 LEU HD21 H 1 0.320 0.007 . 1 . . . . 35 . . . 6122 1 430 . 1 1 39 39 LEU HD22 H 1 0.320 0.007 . 1 . . . . 35 . . . 6122 1 431 . 1 1 39 39 LEU HD23 H 1 0.320 0.007 . 1 . . . . 35 . . . 6122 1 432 . 1 1 39 39 LEU HG H 1 1.201 0.002 . 1 . . . . 35 . . . 6122 1 433 . 1 1 39 39 LEU H H 1 8.887 0.006 . 1 . . . . 35 . . . 6122 1 434 . 1 1 39 39 LEU N N 15 129.311 0.037 . 1 . . . . 35 . . . 6122 1 435 . 1 1 40 40 PRO C C 13 177.424 0.000 . 1 . . . . 36 . . . 6122 1 436 . 1 1 40 40 PRO CA C 13 62.041 0.054 . 1 . . . . 36 . . . 6122 1 437 . 1 1 40 40 PRO CB C 13 33.337 0.030 . 1 . . . . 36 . . . 6122 1 438 . 1 1 40 40 PRO CD C 13 51.484 0.066 . 1 . . . . 36 . . . 6122 1 439 . 1 1 40 40 PRO CG C 13 27.734 0.060 . 1 . . . . 36 . . . 6122 1 440 . 1 1 40 40 PRO HA H 1 4.426 0.005 . 1 . . . . 36 . . . 6122 1 441 . 1 1 40 40 PRO HB2 H 1 2.008 0.002 . 2 . . . . 36 . . . 6122 1 442 . 1 1 40 40 PRO HB3 H 1 2.568 0.008 . 2 . . . . 36 . . . 6122 1 443 . 1 1 40 40 PRO HD2 H 1 3.892 0.004 . 2 . . . . 36 . . . 6122 1 444 . 1 1 40 40 PRO HD3 H 1 3.817 0.008 . 2 . . . . 36 . . . 6122 1 445 . 1 1 40 40 PRO HG2 H 1 2.182 0.009 . 1 . . . . 36 . . . 6122 1 446 . 1 1 40 40 PRO HG3 H 1 2.182 0.009 . 1 . . . . 36 . . . 6122 1 447 . 1 1 40 40 PRO N N 15 137.190 0.007 . 2 . . . . 36 . . . 6122 1 448 . 1 1 41 41 LEU C C 13 178.838 0.000 . 1 . . . . 37 . . . 6122 1 449 . 1 1 41 41 LEU CA C 13 58.337 0.039 . 1 . . . . 37 . . . 6122 1 450 . 1 1 41 41 LEU CB C 13 42.781 0.039 . 1 . . . . 37 . . . 6122 1 451 . 1 1 41 41 LEU CD1 C 13 23.649 0.041 . 1 . . . . 37 . . . 6122 1 452 . 1 1 41 41 LEU CD2 C 13 26.538 0.039 . 1 . . . . 37 . . . 6122 1 453 . 1 1 41 41 LEU CG C 13 27.121 0.070 . 1 . . . . 37 . . . 6122 1 454 . 1 1 41 41 LEU HA H 1 3.923 0.003 . 1 . . . . 37 . . . 6122 1 455 . 1 1 41 41 LEU HB2 H 1 1.386 0.004 . 2 . . . . 37 . . . 6122 1 456 . 1 1 41 41 LEU HB3 H 1 1.996 0.004 . 2 . . . . 37 . . . 6122 1 457 . 1 1 41 41 LEU HD11 H 1 0.797 0.003 . 1 . . . . 37 . . . 6122 1 458 . 1 1 41 41 LEU HD12 H 1 0.797 0.003 . 1 . . . . 37 . . . 6122 1 459 . 1 1 41 41 LEU HD13 H 1 0.797 0.003 . 1 . . . . 37 . . . 6122 1 460 . 1 1 41 41 LEU HD21 H 1 0.914 0.005 . 1 . . . . 37 . . . 6122 1 461 . 1 1 41 41 LEU HD22 H 1 0.914 0.005 . 1 . . . . 37 . . . 6122 1 462 . 1 1 41 41 LEU HD23 H 1 0.914 0.005 . 1 . . . . 37 . . . 6122 1 463 . 1 1 41 41 LEU HG H 1 1.630 0.006 . 1 . . . . 37 . . . 6122 1 464 . 1 1 41 41 LEU H H 1 8.475 0.005 . 1 . . . . 37 . . . 6122 1 465 . 1 1 41 41 LEU N N 15 123.090 0.061 . 1 . . . . 37 . . . 6122 1 466 . 1 1 42 42 LYS C C 13 176.684 0.000 . 1 . . . . 38 . . . 6122 1 467 . 1 1 42 42 LYS CA C 13 58.571 0.048 . 1 . . . . 38 . . . 6122 1 468 . 1 1 42 42 LYS CB C 13 32.380 0.077 . 1 . . . . 38 . . . 6122 1 469 . 1 1 42 42 LYS CD C 13 29.661 0.051 . 1 . . . . 38 . . . 6122 1 470 . 1 1 42 42 LYS CE C 13 42.546 0.094 . 1 . . . . 38 . . . 6122 1 471 . 1 1 42 42 LYS CG C 13 25.056 0.015 . 1 . . . . 38 . . . 6122 1 472 . 1 1 42 42 LYS HA H 1 4.314 0.003 . 1 . . . . 38 . . . 6122 1 473 . 1 1 42 42 LYS HB2 H 1 2.078 0.004 . 2 . . . . 38 . . . 6122 1 474 . 1 1 42 42 LYS HB3 H 1 1.883 0.003 . 2 . . . . 38 . . . 6122 1 475 . 1 1 42 42 LYS HD2 H 1 1.836 0.005 . 2 . . . . 38 . . . 6122 1 476 . 1 1 42 42 LYS HD3 H 1 1.787 0.001 . 2 . . . . 38 . . . 6122 1 477 . 1 1 42 42 LYS HE2 H 1 3.103 0.006 . 1 . . . . 38 . . . 6122 1 478 . 1 1 42 42 LYS HE3 H 1 3.103 0.006 . 1 . . . . 38 . . . 6122 1 479 . 1 1 42 42 LYS HG2 H 1 1.553 0.004 . 1 . . . . 38 . . . 6122 1 480 . 1 1 42 42 LYS HG3 H 1 1.553 0.004 . 1 . . . . 38 . . . 6122 1 481 . 1 1 42 42 LYS H H 1 8.753 0.005 . 1 . . . . 38 . . . 6122 1 482 . 1 1 42 42 LYS N N 15 115.463 0.029 . 1 . . . . 38 . . . 6122 1 483 . 1 1 43 43 GLU C C 13 175.674 0.000 . 1 . . . . 39 . . . 6122 1 484 . 1 1 43 43 GLU CA C 13 54.818 0.052 . 1 . . . . 39 . . . 6122 1 485 . 1 1 43 43 GLU CB C 13 29.271 0.087 . 1 . . . . 39 . . . 6122 1 486 . 1 1 43 43 GLU CG C 13 35.708 0.062 . 1 . . . . 39 . . . 6122 1 487 . 1 1 43 43 GLU HA H 1 4.972 0.005 . 1 . . . . 39 . . . 6122 1 488 . 1 1 43 43 GLU HB2 H 1 3.138 0.007 . 2 . . . . 39 . . . 6122 1 489 . 1 1 43 43 GLU HB3 H 1 1.942 0.008 . 2 . . . . 39 . . . 6122 1 490 . 1 1 43 43 GLU HG2 H 1 2.927 0.007 . 2 . . . . 39 . . . 6122 1 491 . 1 1 43 43 GLU HG3 H 1 2.202 0.003 . 2 . . . . 39 . . . 6122 1 492 . 1 1 43 43 GLU H H 1 7.889 0.005 . 1 . . . . 39 . . . 6122 1 493 . 1 1 43 43 GLU N N 15 115.343 0.032 . 1 . . . . 39 . . . 6122 1 494 . 1 1 44 44 ILE C C 13 173.500 0.000 . 1 . . . . 40 . . . 6122 1 495 . 1 1 44 44 ILE CA C 13 61.889 0.059 . 1 . . . . 40 . . . 6122 1 496 . 1 1 44 44 ILE CB C 13 37.764 0.099 . 1 . . . . 40 . . . 6122 1 497 . 1 1 44 44 ILE CD1 C 13 14.294 0.036 . 1 . . . . 40 . . . 6122 1 498 . 1 1 44 44 ILE CG1 C 13 27.494 0.106 . 1 . . . . 40 . . . 6122 1 499 . 1 1 44 44 ILE CG2 C 13 18.310 0.038 . 1 . . . . 40 . . . 6122 1 500 . 1 1 44 44 ILE HA H 1 3.802 0.007 . 1 . . . . 40 . . . 6122 1 501 . 1 1 44 44 ILE HB H 1 2.113 0.006 . 1 . . . . 40 . . . 6122 1 502 . 1 1 44 44 ILE HD11 H 1 0.586 0.005 . 1 . . . . 40 . . . 6122 1 503 . 1 1 44 44 ILE HD12 H 1 0.586 0.005 . 1 . . . . 40 . . . 6122 1 504 . 1 1 44 44 ILE HD13 H 1 0.586 0.005 . 1 . . . . 40 . . . 6122 1 505 . 1 1 44 44 ILE HG12 H 1 1.847 0.005 . 2 . . . . 40 . . . 6122 1 506 . 1 1 44 44 ILE HG13 H 1 0.506 0.011 . 2 . . . . 40 . . . 6122 1 507 . 1 1 44 44 ILE HG21 H 1 0.833 0.005 . 1 . . . . 40 . . . 6122 1 508 . 1 1 44 44 ILE HG22 H 1 0.833 0.005 . 1 . . . . 40 . . . 6122 1 509 . 1 1 44 44 ILE HG23 H 1 0.833 0.005 . 1 . . . . 40 . . . 6122 1 510 . 1 1 44 44 ILE H H 1 7.685 0.006 . 1 . . . . 40 . . . 6122 1 511 . 1 1 44 44 ILE N N 15 122.729 0.032 . 1 . . . . 40 . . . 6122 1 512 . 1 1 45 45 ALA C C 13 177.642 0.000 . 1 . . . . 41 . . . 6122 1 513 . 1 1 45 45 ALA CA C 13 52.464 0.039 . 1 . . . . 41 . . . 6122 1 514 . 1 1 45 45 ALA CB C 13 19.489 0.034 . 1 . . . . 41 . . . 6122 1 515 . 1 1 45 45 ALA HA H 1 4.101 0.005 . 1 . . . . 41 . . . 6122 1 516 . 1 1 45 45 ALA HB1 H 1 1.148 0.003 . 1 . . . . 41 . . . 6122 1 517 . 1 1 45 45 ALA HB2 H 1 1.148 0.003 . 1 . . . . 41 . . . 6122 1 518 . 1 1 45 45 ALA HB3 H 1 1.148 0.003 . 1 . . . . 41 . . . 6122 1 519 . 1 1 45 45 ALA H H 1 7.836 0.006 . 1 . . . . 41 . . . 6122 1 520 . 1 1 45 45 ALA N N 15 131.315 0.047 . 1 . . . . 41 . . . 6122 1 521 . 1 1 46 46 ARG C C 13 178.505 0.000 . 1 . . . . 42 . . . 6122 1 522 . 1 1 46 46 ARG CA C 13 58.416 0.023 . 1 . . . . 42 . . . 6122 1 523 . 1 1 46 46 ARG CB C 13 29.807 0.062 . 1 . . . . 42 . . . 6122 1 524 . 1 1 46 46 ARG CD C 13 43.105 0.061 . 1 . . . . 42 . . . 6122 1 525 . 1 1 46 46 ARG CG C 13 27.240 0.046 . 1 . . . . 42 . . . 6122 1 526 . 1 1 46 46 ARG HA H 1 3.377 0.004 . 1 . . . . 42 . . . 6122 1 527 . 1 1 46 46 ARG HB2 H 1 1.780 0.003 . 2 . . . . 42 . . . 6122 1 528 . 1 1 46 46 ARG HB3 H 1 1.697 0.002 . 2 . . . . 42 . . . 6122 1 529 . 1 1 46 46 ARG HD2 H 1 2.977 0.004 . 1 . . . . 42 . . . 6122 1 530 . 1 1 46 46 ARG HD3 H 1 2.977 0.004 . 1 . . . . 42 . . . 6122 1 531 . 1 1 46 46 ARG HG2 H 1 1.573 0.003 . 1 . . . . 42 . . . 6122 1 532 . 1 1 46 46 ARG HG3 H 1 1.573 0.003 . 1 . . . . 42 . . . 6122 1 533 . 1 1 46 46 ARG H H 1 8.479 0.006 . 1 . . . . 42 . . . 6122 1 534 . 1 1 46 46 ARG N N 15 119.308 0.055 . 1 . . . . 42 . . . 6122 1 535 . 1 1 47 47 GLU C C 13 176.842 0.000 . 1 . . . . 43 . . . 6122 1 536 . 1 1 47 47 GLU CA C 13 59.315 0.040 . 1 . . . . 43 . . . 6122 1 537 . 1 1 47 47 GLU CB C 13 28.938 0.168 . 1 . . . . 43 . . . 6122 1 538 . 1 1 47 47 GLU CG C 13 36.522 0.051 . 1 . . . . 43 . . . 6122 1 539 . 1 1 47 47 GLU HA H 1 4.078 0.003 . 1 . . . . 43 . . . 6122 1 540 . 1 1 47 47 GLU HB2 H 1 1.769 0.008 . 1 . . . . 43 . . . 6122 1 541 . 1 1 47 47 GLU HB3 H 1 1.769 0.008 . 1 . . . . 43 . . . 6122 1 542 . 1 1 47 47 GLU HG2 H 1 1.945 0.006 . 2 . . . . 43 . . . 6122 1 543 . 1 1 47 47 GLU HG3 H 1 1.760 0.005 . 2 . . . . 43 . . . 6122 1 544 . 1 1 47 47 GLU H H 1 8.898 0.009 . 1 . . . . 43 . . . 6122 1 545 . 1 1 47 47 GLU N N 15 118.661 0.022 . 1 . . . . 43 . . . 6122 1 546 . 1 1 48 48 TYR C C 13 175.336 0.000 . 1 . . . . 44 . . . 6122 1 547 . 1 1 48 48 TYR CA C 13 59.912 0.068 . 1 . . . . 44 . . . 6122 1 548 . 1 1 48 48 TYR CB C 13 38.281 0.105 . 1 . . . . 44 . . . 6122 1 549 . 1 1 48 48 TYR CD1 C 13 132.980 0.014 . 3 . . . . 44 . . . 6122 1 550 . 1 1 48 48 TYR CE1 C 13 118.267 0.020 . 3 . . . . 44 . . . 6122 1 551 . 1 1 48 48 TYR HA H 1 4.357 0.004 . 1 . . . . 44 . . . 6122 1 552 . 1 1 48 48 TYR HB2 H 1 2.721 0.004 . 1 . . . . 44 . . . 6122 1 553 . 1 1 48 48 TYR HB3 H 1 3.073 0.004 . 1 . . . . 44 . . . 6122 1 554 . 1 1 48 48 TYR HD1 H 1 7.306 0.009 . 3 . . . . 44 . . . 6122 1 555 . 1 1 48 48 TYR HE1 H 1 7.014 0.007 . 3 . . . . 44 . . . 6122 1 556 . 1 1 48 48 TYR H H 1 7.800 0.004 . 1 . . . . 44 . . . 6122 1 557 . 1 1 48 48 TYR N N 15 116.397 0.030 . 1 . . . . 44 . . . 6122 1 558 . 1 1 49 49 PHE CA C 13 55.590 0.005 . 1 . . . . 45 . . . 6122 1 559 . 1 1 49 49 PHE CB C 13 37.172 0.041 . 1 . . . . 45 . . . 6122 1 560 . 1 1 49 49 PHE CD1 C 13 130.945 0.087 . 3 . . . . 45 . . . 6122 1 561 . 1 1 49 49 PHE CE1 C 13 131.307 0.118 . 3 . . . . 45 . . . 6122 1 562 . 1 1 49 49 PHE CZ C 13 129.442 0.000 . 1 . . . . 45 . . . 6122 1 563 . 1 1 49 49 PHE HA H 1 4.772 0.003 . 1 . . . . 45 . . . 6122 1 564 . 1 1 49 49 PHE HB2 H 1 2.813 0.005 . 2 . . . . 45 . . . 6122 1 565 . 1 1 49 49 PHE HB3 H 1 3.380 0.008 . 2 . . . . 45 . . . 6122 1 566 . 1 1 49 49 PHE HD1 H 1 6.952 0.012 . 3 . . . . 45 . . . 6122 1 567 . 1 1 49 49 PHE HE1 H 1 7.071 0.007 . 3 . . . . 45 . . . 6122 1 568 . 1 1 49 49 PHE H H 1 7.908 0.006 . 1 . . . . 45 . . . 6122 1 569 . 1 1 49 49 PHE HZ H 1 7.238 0.000 . 1 . . . . 45 . . . 6122 1 570 . 1 1 49 49 PHE N N 15 120.031 0.042 . 1 . . . . 45 . . . 6122 1 571 . 1 1 50 50 PRO C C 13 177.397 0.000 . 1 . . . . 46 . . . 6122 1 572 . 1 1 50 50 PRO CA C 13 63.172 0.035 . 1 . . . . 46 . . . 6122 1 573 . 1 1 50 50 PRO CB C 13 32.596 0.032 . 1 . . . . 46 . . . 6122 1 574 . 1 1 50 50 PRO CD C 13 50.725 0.032 . 1 . . . . 46 . . . 6122 1 575 . 1 1 50 50 PRO CG C 13 28.106 0.067 . 1 . . . . 46 . . . 6122 1 576 . 1 1 50 50 PRO HA H 1 4.570 0.003 . 1 . . . . 46 . . . 6122 1 577 . 1 1 50 50 PRO HB2 H 1 2.071 0.004 . 2 . . . . 46 . . . 6122 1 578 . 1 1 50 50 PRO HB3 H 1 2.522 0.004 . 2 . . . . 46 . . . 6122 1 579 . 1 1 50 50 PRO HD2 H 1 3.396 0.003 . 2 . . . . 46 . . . 6122 1 580 . 1 1 50 50 PRO HD3 H 1 4.167 0.004 . 2 . . . . 46 . . . 6122 1 581 . 1 1 50 50 PRO HG2 H 1 2.202 0.005 . 1 . . . . 46 . . . 6122 1 582 . 1 1 50 50 PRO HG3 H 1 2.202 0.005 . 1 . . . . 46 . . . 6122 1 583 . 1 1 50 50 PRO N N 15 134.832 0.000 . 1 . . . . 46 . . . 6122 1 584 . 1 1 51 51 ALA C C 13 178.489 0.000 . 1 . . . . 47 . . . 6122 1 585 . 1 1 51 51 ALA CA C 13 54.439 0.040 . 1 . . . . 47 . . . 6122 1 586 . 1 1 51 51 ALA CB C 13 18.816 0.040 . 1 . . . . 47 . . . 6122 1 587 . 1 1 51 51 ALA HA H 1 4.213 0.005 . 1 . . . . 47 . . . 6122 1 588 . 1 1 51 51 ALA HB1 H 1 1.469 0.003 . 1 . . . . 47 . . . 6122 1 589 . 1 1 51 51 ALA HB2 H 1 1.469 0.003 . 1 . . . . 47 . . . 6122 1 590 . 1 1 51 51 ALA HB3 H 1 1.469 0.003 . 1 . . . . 47 . . . 6122 1 591 . 1 1 51 51 ALA H H 1 8.738 0.006 . 1 . . . . 47 . . . 6122 1 592 . 1 1 51 51 ALA N N 15 125.088 0.038 . 1 . . . . 47 . . . 6122 1 593 . 1 1 52 52 ASN C C 13 174.947 0.000 . 1 . . . . 48 . . . 6122 1 594 . 1 1 52 52 ASN CA C 13 53.347 0.042 . 1 . . . . 48 . . . 6122 1 595 . 1 1 52 52 ASN CB C 13 37.951 0.081 . 1 . . . . 48 . . . 6122 1 596 . 1 1 52 52 ASN CG C 13 178.019 0.000 . 1 . . . . 48 . . . 6122 1 597 . 1 1 52 52 ASN HA H 1 4.655 0.008 . 1 . . . . 48 . . . 6122 1 598 . 1 1 52 52 ASN HB2 H 1 2.889 0.007 . 2 . . . . 48 . . . 6122 1 599 . 1 1 52 52 ASN HB3 H 1 2.970 0.002 . 2 . . . . 48 . . . 6122 1 600 . 1 1 52 52 ASN HD21 H 1 7.608 0.005 . 1 . . . . 48 . . . 6122 1 601 . 1 1 52 52 ASN HD22 H 1 6.902 0.003 . 1 . . . . 48 . . . 6122 1 602 . 1 1 52 52 ASN H H 1 8.530 0.005 . 1 . . . . 48 . . . 6122 1 603 . 1 1 52 52 ASN N N 15 113.762 0.031 . 1 . . . . 48 . . . 6122 1 604 . 1 1 52 52 ASN ND2 N 15 112.622 0.027 . 1 . . . . 48 . . . 6122 1 605 . 1 1 53 53 TYR C C 13 175.781 0.000 . 1 . . . . 49 . . . 6122 1 606 . 1 1 53 53 TYR CA C 13 59.571 0.041 . 1 . . . . 49 . . . 6122 1 607 . 1 1 53 53 TYR CB C 13 39.502 0.047 . 1 . . . . 49 . . . 6122 1 608 . 1 1 53 53 TYR CD1 C 13 133.186 0.048 . 3 . . . . 49 . . . 6122 1 609 . 1 1 53 53 TYR CE1 C 13 118.579 0.036 . 3 . . . . 49 . . . 6122 1 610 . 1 1 53 53 TYR HA H 1 4.424 0.006 . 1 . . . . 49 . . . 6122 1 611 . 1 1 53 53 TYR HB2 H 1 3.033 0.003 . 2 . . . . 49 . . . 6122 1 612 . 1 1 53 53 TYR HB3 H 1 3.206 0.006 . 2 . . . . 49 . . . 6122 1 613 . 1 1 53 53 TYR HD1 H 1 7.095 0.005 . 3 . . . . 49 . . . 6122 1 614 . 1 1 53 53 TYR HE1 H 1 6.730 0.010 . 3 . . . . 49 . . . 6122 1 615 . 1 1 53 53 TYR H H 1 7.764 0.005 . 1 . . . . 49 . . . 6122 1 616 . 1 1 53 53 TYR N N 15 120.656 0.032 . 1 . . . . 49 . . . 6122 1 617 . 1 1 54 54 SER C C 13 173.621 0.000 . 1 . . . . 50 . . . 6122 1 618 . 1 1 54 54 SER CA C 13 58.009 0.061 . 1 . . . . 50 . . . 6122 1 619 . 1 1 54 54 SER CB C 13 64.154 0.041 . 1 . . . . 50 . . . 6122 1 620 . 1 1 54 54 SER HA H 1 4.335 0.003 . 1 . . . . 50 . . . 6122 1 621 . 1 1 54 54 SER HB2 H 1 3.668 0.003 . 2 . . . . 50 . . . 6122 1 622 . 1 1 54 54 SER HB3 H 1 3.757 0.004 . 2 . . . . 50 . . . 6122 1 623 . 1 1 54 54 SER H H 1 8.025 0.006 . 1 . . . . 50 . . . 6122 1 624 . 1 1 54 54 SER N N 15 121.327 0.033 . 1 . . . . 50 . . . 6122 1 625 . 1 1 55 55 ALA C C 13 177.248 0.000 . 1 . . . . 51 . . . 6122 1 626 . 1 1 55 55 ALA CA C 13 52.840 0.038 . 1 . . . . 51 . . . 6122 1 627 . 1 1 55 55 ALA CB C 13 19.282 0.079 . 1 . . . . 51 . . . 6122 1 628 . 1 1 55 55 ALA HA H 1 4.183 0.004 . 1 . . . . 51 . . . 6122 1 629 . 1 1 55 55 ALA HB1 H 1 1.284 0.004 . 1 . . . . 51 . . . 6122 1 630 . 1 1 55 55 ALA HB2 H 1 1.284 0.004 . 1 . . . . 51 . . . 6122 1 631 . 1 1 55 55 ALA HB3 H 1 1.284 0.004 . 1 . . . . 51 . . . 6122 1 632 . 1 1 55 55 ALA H H 1 7.674 0.003 . 1 . . . . 51 . . . 6122 1 633 . 1 1 55 55 ALA N N 15 126.058 0.036 . 1 . . . . 51 . . . 6122 1 634 . 1 1 56 56 HIS C C 13 175.489 0.000 . 1 . . . . 52 . . . 6122 1 635 . 1 1 56 56 HIS CA C 13 56.281 0.035 . 1 . . . . 52 . . . 6122 1 636 . 1 1 56 56 HIS CB C 13 30.528 0.037 . 1 . . . . 52 . . . 6122 1 637 . 1 1 56 56 HIS HA H 1 4.663 0.004 . 1 . . . . 52 . . . 6122 1 638 . 1 1 56 56 HIS HB2 H 1 3.070 0.003 . 2 . . . . 52 . . . 6122 1 639 . 1 1 56 56 HIS HB3 H 1 3.201 0.004 . 2 . . . . 52 . . . 6122 1 640 . 1 1 56 56 HIS HD2 H 1 7.101 0.005 . 1 . . . . 52 . . . 6122 1 641 . 1 1 56 56 HIS H H 1 8.182 0.010 . 1 . . . . 52 . . . 6122 1 642 . 1 1 56 56 HIS N N 15 118.383 0.048 . 1 . . . . 52 . . . 6122 1 643 . 1 1 57 57 GLY C C 13 173.539 0.000 . 1 . . . . 53 . . . 6122 1 644 . 1 1 57 57 GLY CA C 13 45.257 0.071 . 1 . . . . 53 . . . 6122 1 645 . 1 1 57 57 GLY HA2 H 1 4.030 0.009 . 2 . . . . 53 . . . 6122 1 646 . 1 1 57 57 GLY HA3 H 1 3.924 0.005 . 2 . . . . 53 . . . 6122 1 647 . 1 1 57 57 GLY H H 1 8.206 0.013 . 1 . . . . 53 . . . 6122 1 648 . 1 1 57 57 GLY N N 15 109.810 0.039 . 1 . . . . 53 . . . 6122 1 649 . 1 1 58 58 ARG CA C 13 54.263 0.027 . 1 . . . . 54 . . . 6122 1 650 . 1 1 58 58 ARG CB C 13 30.638 0.037 . 1 . . . . 54 . . . 6122 1 651 . 1 1 58 58 ARG HA H 1 4.651 0.003 . 1 . . . . 54 . . . 6122 1 652 . 1 1 58 58 ARG HB2 H 1 1.884 0.004 . 2 . . . . 54 . . . 6122 1 653 . 1 1 58 58 ARG HB3 H 1 1.793 0.004 . 2 . . . . 54 . . . 6122 1 654 . 1 1 58 58 ARG HD2 H 1 3.265 0.002 . 1 . . . . 54 . . . 6122 1 655 . 1 1 58 58 ARG HD3 H 1 3.265 0.002 . 1 . . . . 54 . . . 6122 1 656 . 1 1 58 58 ARG H H 1 8.398 0.004 . 1 . . . . 54 . . . 6122 1 657 . 1 1 58 58 ARG N N 15 122.983 0.029 . 1 . . . . 54 . . . 6122 1 658 . 1 1 59 59 PRO C C 13 175.270 0.000 . 1 . . . . 55 . . . 6122 1 659 . 1 1 59 59 PRO CA C 13 63.182 0.042 . 1 . . . . 55 . . . 6122 1 660 . 1 1 59 59 PRO CB C 13 32.610 0.036 . 1 . . . . 55 . . . 6122 1 661 . 1 1 59 59 PRO CD C 13 50.806 0.042 . 1 . . . . 55 . . . 6122 1 662 . 1 1 59 59 PRO CG C 13 27.428 0.040 . 1 . . . . 55 . . . 6122 1 663 . 1 1 59 59 PRO HA H 1 4.542 0.006 . 1 . . . . 55 . . . 6122 1 664 . 1 1 59 59 PRO HB2 H 1 2.212 0.003 . 2 . . . . 55 . . . 6122 1 665 . 1 1 59 59 PRO HB3 H 1 1.738 0.003 . 2 . . . . 55 . . . 6122 1 666 . 1 1 59 59 PRO HD2 H 1 3.862 0.005 . 2 . . . . 55 . . . 6122 1 667 . 1 1 59 59 PRO HD3 H 1 3.673 0.004 . 2 . . . . 55 . . . 6122 1 668 . 1 1 59 59 PRO HG2 H 1 2.001 0.003 . 1 . . . . 55 . . . 6122 1 669 . 1 1 59 59 PRO HG3 H 1 2.001 0.003 . 1 . . . . 55 . . . 6122 1 670 . 1 1 59 59 PRO N N 15 138.116 0.007 . 1 . . . . 55 . . . 6122 1 671 . 1 1 60 60 ASN C C 13 176.952 0.088 . 1 . . . . 56 . . . 6122 1 672 . 1 1 60 60 ASN CA C 13 52.217 0.051 . 1 . . . . 56 . . . 6122 1 673 . 1 1 60 60 ASN CB C 13 40.685 0.032 . 1 . . . . 56 . . . 6122 1 674 . 1 1 60 60 ASN CG C 13 176.812 0.000 . 1 . . . . 56 . . . 6122 1 675 . 1 1 60 60 ASN HA H 1 4.967 0.005 . 1 . . . . 56 . . . 6122 1 676 . 1 1 60 60 ASN HB2 H 1 2.832 0.005 . 2 . . . . 56 . . . 6122 1 677 . 1 1 60 60 ASN HB3 H 1 3.002 0.004 . 2 . . . . 56 . . . 6122 1 678 . 1 1 60 60 ASN HD21 H 1 7.716 0.001 . 1 . . . . 56 . . . 6122 1 679 . 1 1 60 60 ASN HD22 H 1 6.822 0.002 . 1 . . . . 56 . . . 6122 1 680 . 1 1 60 60 ASN H H 1 8.299 0.002 . 1 . . . . 56 . . . 6122 1 681 . 1 1 60 60 ASN N N 15 119.023 0.027 . 1 . . . . 56 . . . 6122 1 682 . 1 1 60 60 ASN ND2 N 15 112.923 0.016 . 1 . . . . 56 . . . 6122 1 683 . 1 1 61 61 ILE C C 13 175.055 0.000 . 1 . . . . 57 . . . 6122 1 684 . 1 1 61 61 ILE CA C 13 64.390 0.051 . 1 . . . . 57 . . . 6122 1 685 . 1 1 61 61 ILE CB C 13 38.889 0.065 . 1 . . . . 57 . . . 6122 1 686 . 1 1 61 61 ILE CD1 C 13 14.733 0.038 . 1 . . . . 57 . . . 6122 1 687 . 1 1 61 61 ILE CG1 C 13 29.116 0.045 . 1 . . . . 57 . . . 6122 1 688 . 1 1 61 61 ILE CG2 C 13 16.869 0.065 . 1 . . . . 57 . . . 6122 1 689 . 1 1 61 61 ILE HA H 1 3.789 0.006 . 1 . . . . 57 . . . 6122 1 690 . 1 1 61 61 ILE HB H 1 1.707 0.004 . 1 . . . . 57 . . . 6122 1 691 . 1 1 61 61 ILE HD11 H 1 0.578 0.004 . 1 . . . . 57 . . . 6122 1 692 . 1 1 61 61 ILE HD12 H 1 0.578 0.004 . 1 . . . . 57 . . . 6122 1 693 . 1 1 61 61 ILE HD13 H 1 0.578 0.004 . 1 . . . . 57 . . . 6122 1 694 . 1 1 61 61 ILE HG12 H 1 1.256 0.004 . 2 . . . . 57 . . . 6122 1 695 . 1 1 61 61 ILE HG13 H 1 1.068 0.003 . 2 . . . . 57 . . . 6122 1 696 . 1 1 61 61 ILE HG21 H 1 0.878 0.004 . 1 . . . . 57 . . . 6122 1 697 . 1 1 61 61 ILE HG22 H 1 0.878 0.004 . 1 . . . . 57 . . . 6122 1 698 . 1 1 61 61 ILE HG23 H 1 0.878 0.004 . 1 . . . . 57 . . . 6122 1 699 . 1 1 61 61 ILE H H 1 9.558 0.008 . 1 . . . . 57 . . . 6122 1 700 . 1 1 61 61 ILE N N 15 126.519 0.030 . 1 . . . . 57 . . . 6122 1 701 . 1 1 62 62 LYS C C 13 176.862 0.000 . 1 . . . . 58 . . . 6122 1 702 . 1 1 62 62 LYS CA C 13 58.312 0.063 . 1 . . . . 58 . . . 6122 1 703 . 1 1 62 62 LYS CB C 13 32.360 0.031 . 1 . . . . 58 . . . 6122 1 704 . 1 1 62 62 LYS CD C 13 29.472 0.022 . 1 . . . . 58 . . . 6122 1 705 . 1 1 62 62 LYS CE C 13 42.361 0.121 . 1 . . . . 58 . . . 6122 1 706 . 1 1 62 62 LYS CG C 13 25.702 0.040 . 1 . . . . 58 . . . 6122 1 707 . 1 1 62 62 LYS HA H 1 4.175 0.004 . 1 . . . . 58 . . . 6122 1 708 . 1 1 62 62 LYS HB2 H 1 1.826 0.004 . 1 . . . . 58 . . . 6122 1 709 . 1 1 62 62 LYS HB3 H 1 1.826 0.004 . 1 . . . . 58 . . . 6122 1 710 . 1 1 62 62 LYS HD2 H 1 1.732 0.005 . 1 . . . . 58 . . . 6122 1 711 . 1 1 62 62 LYS HD3 H 1 1.732 0.005 . 1 . . . . 58 . . . 6122 1 712 . 1 1 62 62 LYS HE2 H 1 3.050 0.000 . 1 . . . . 58 . . . 6122 1 713 . 1 1 62 62 LYS HE3 H 1 3.050 0.000 . 1 . . . . 58 . . . 6122 1 714 . 1 1 62 62 LYS HG2 H 1 1.531 0.004 . 2 . . . . 58 . . . 6122 1 715 . 1 1 62 62 LYS HG3 H 1 1.454 0.004 . 2 . . . . 58 . . . 6122 1 716 . 1 1 62 62 LYS H H 1 8.295 0.003 . 1 . . . . 58 . . . 6122 1 717 . 1 1 62 62 LYS N N 15 120.056 0.031 . 1 . . . . 58 . . . 6122 1 718 . 1 1 63 63 ASP C C 13 176.619 0.000 . 1 . . . . 59 . . . 6122 1 719 . 1 1 63 63 ASP CA C 13 55.316 0.032 . 1 . . . . 59 . . . 6122 1 720 . 1 1 63 63 ASP CB C 13 42.196 0.024 . 1 . . . . 59 . . . 6122 1 721 . 1 1 63 63 ASP HA H 1 4.730 0.003 . 1 . . . . 59 . . . 6122 1 722 . 1 1 63 63 ASP HB2 H 1 2.844 0.002 . 1 . . . . 59 . . . 6122 1 723 . 1 1 63 63 ASP HB3 H 1 2.844 0.002 . 1 . . . . 59 . . . 6122 1 724 . 1 1 63 63 ASP H H 1 7.833 0.006 . 1 . . . . 59 . . . 6122 1 725 . 1 1 63 63 ASP N N 15 116.055 0.060 . 1 . . . . 59 . . . 6122 1 726 . 1 1 64 64 VAL C C 13 173.711 0.000 . 1 . . . . 60 . . . 6122 1 727 . 1 1 64 64 VAL CA C 13 63.280 0.055 . 1 . . . . 60 . . . 6122 1 728 . 1 1 64 64 VAL CB C 13 33.709 0.049 . 1 . . . . 60 . . . 6122 1 729 . 1 1 64 64 VAL CG1 C 13 21.249 0.160 . 1 . . . . 60 . . . 6122 1 730 . 1 1 64 64 VAL CG2 C 13 20.519 0.030 . 1 . . . . 60 . . . 6122 1 731 . 1 1 64 64 VAL HA H 1 3.841 0.006 . 1 . . . . 60 . . . 6122 1 732 . 1 1 64 64 VAL HB H 1 1.628 0.003 . 1 . . . . 60 . . . 6122 1 733 . 1 1 64 64 VAL HG11 H 1 0.109 0.005 . 1 . . . . 60 . . . 6122 1 734 . 1 1 64 64 VAL HG12 H 1 0.109 0.005 . 1 . . . . 60 . . . 6122 1 735 . 1 1 64 64 VAL HG13 H 1 0.109 0.005 . 1 . . . . 60 . . . 6122 1 736 . 1 1 64 64 VAL HG21 H 1 0.365 0.004 . 1 . . . . 60 . . . 6122 1 737 . 1 1 64 64 VAL HG22 H 1 0.365 0.004 . 1 . . . . 60 . . . 6122 1 738 . 1 1 64 64 VAL HG23 H 1 0.365 0.004 . 1 . . . . 60 . . . 6122 1 739 . 1 1 64 64 VAL H H 1 7.181 0.005 . 1 . . . . 60 . . . 6122 1 740 . 1 1 64 64 VAL N N 15 114.389 0.038 . 1 . . . . 60 . . . 6122 1 741 . 1 1 65 65 LEU C C 13 175.289 0.000 . 1 . . . . 61 . . . 6122 1 742 . 1 1 65 65 LEU CA C 13 52.815 0.051 . 1 . . . . 61 . . . 6122 1 743 . 1 1 65 65 LEU CB C 13 47.282 0.035 . 1 . . . . 61 . . . 6122 1 744 . 1 1 65 65 LEU CD1 C 13 26.820 0.051 . 1 . . . . 61 . . . 6122 1 745 . 1 1 65 65 LEU CD2 C 13 22.671 0.026 . 1 . . . . 61 . . . 6122 1 746 . 1 1 65 65 LEU CG C 13 26.988 0.024 . 1 . . . . 61 . . . 6122 1 747 . 1 1 65 65 LEU HA H 1 5.115 0.003 . 1 . . . . 61 . . . 6122 1 748 . 1 1 65 65 LEU HB2 H 1 1.380 0.007 . 1 . . . . 61 . . . 6122 1 749 . 1 1 65 65 LEU HB3 H 1 1.183 0.004 . 1 . . . . 61 . . . 6122 1 750 . 1 1 65 65 LEU HD11 H 1 0.550 0.004 . 1 . . . . 61 . . . 6122 1 751 . 1 1 65 65 LEU HD12 H 1 0.550 0.004 . 1 . . . . 61 . . . 6122 1 752 . 1 1 65 65 LEU HD13 H 1 0.550 0.004 . 1 . . . . 61 . . . 6122 1 753 . 1 1 65 65 LEU HD21 H 1 0.625 0.006 . 1 . . . . 61 . . . 6122 1 754 . 1 1 65 65 LEU HD22 H 1 0.625 0.006 . 1 . . . . 61 . . . 6122 1 755 . 1 1 65 65 LEU HD23 H 1 0.625 0.006 . 1 . . . . 61 . . . 6122 1 756 . 1 1 65 65 LEU HG H 1 1.399 0.001 . 1 . . . . 61 . . . 6122 1 757 . 1 1 65 65 LEU H H 1 7.149 0.006 . 1 . . . . 61 . . . 6122 1 758 . 1 1 65 65 LEU N N 15 116.435 0.042 . 1 . . . . 61 . . . 6122 1 759 . 1 1 66 66 ARG C C 13 175.661 0.000 . 1 . . . . 62 . . . 6122 1 760 . 1 1 66 66 ARG CA C 13 54.127 0.041 . 1 . . . . 62 . . . 6122 1 761 . 1 1 66 66 ARG CB C 13 33.660 0.047 . 1 . . . . 62 . . . 6122 1 762 . 1 1 66 66 ARG CD C 13 43.594 0.038 . 1 . . . . 62 . . . 6122 1 763 . 1 1 66 66 ARG CG C 13 27.120 0.065 . 1 . . . . 62 . . . 6122 1 764 . 1 1 66 66 ARG HA H 1 4.577 0.004 . 1 . . . . 62 . . . 6122 1 765 . 1 1 66 66 ARG HB2 H 1 1.834 0.004 . 2 . . . . 62 . . . 6122 1 766 . 1 1 66 66 ARG HB3 H 1 1.697 0.002 . 2 . . . . 62 . . . 6122 1 767 . 1 1 66 66 ARG HD2 H 1 3.226 0.003 . 1 . . . . 62 . . . 6122 1 768 . 1 1 66 66 ARG HD3 H 1 3.226 0.003 . 1 . . . . 62 . . . 6122 1 769 . 1 1 66 66 ARG HE H 1 7.226 0.004 . 1 . . . . 62 . . . 6122 1 770 . 1 1 66 66 ARG HG2 H 1 1.579 0.008 . 1 . . . . 62 . . . 6122 1 771 . 1 1 66 66 ARG HG3 H 1 1.579 0.008 . 1 . . . . 62 . . . 6122 1 772 . 1 1 66 66 ARG H H 1 8.014 0.006 . 1 . . . . 62 . . . 6122 1 773 . 1 1 66 66 ARG N N 15 116.425 0.036 . 1 . . . . 62 . . . 6122 1 774 . 1 1 67 67 GLU C C 13 177.637 0.000 . 1 . . . . 63 . . . 6122 1 775 . 1 1 67 67 GLU CA C 13 59.374 0.030 . 1 . . . . 63 . . . 6122 1 776 . 1 1 67 67 GLU CB C 13 29.121 0.101 . 1 . . . . 63 . . . 6122 1 777 . 1 1 67 67 GLU CG C 13 37.399 0.059 . 1 . . . . 63 . . . 6122 1 778 . 1 1 67 67 GLU HA H 1 3.646 0.006 . 1 . . . . 63 . . . 6122 1 779 . 1 1 67 67 GLU HB2 H 1 1.984 0.005 . 1 . . . . 63 . . . 6122 1 780 . 1 1 67 67 GLU HB3 H 1 1.984 0.005 . 1 . . . . 63 . . . 6122 1 781 . 1 1 67 67 GLU HG2 H 1 2.263 0.002 . 1 . . . . 63 . . . 6122 1 782 . 1 1 67 67 GLU HG3 H 1 2.263 0.002 . 1 . . . . 63 . . . 6122 1 783 . 1 1 67 67 GLU H H 1 9.037 0.006 . 1 . . . . 63 . . . 6122 1 784 . 1 1 67 67 GLU N N 15 122.163 0.041 . 1 . . . . 63 . . . 6122 1 785 . 1 1 68 68 GLY C C 13 173.575 0.000 . 1 . . . . 64 . . . 6122 1 786 . 1 1 68 68 GLY CA C 13 45.348 0.064 . 1 . . . . 64 . . . 6122 1 787 . 1 1 68 68 GLY HA2 H 1 3.595 0.002 . 2 . . . . 64 . . . 6122 1 788 . 1 1 68 68 GLY HA3 H 1 4.446 0.003 . 2 . . . . 64 . . . 6122 1 789 . 1 1 68 68 GLY H H 1 9.229 0.005 . 1 . . . . 64 . . . 6122 1 790 . 1 1 68 68 GLY N N 15 113.077 0.031 . 1 . . . . 64 . . . 6122 1 791 . 1 1 69 69 GLN C C 13 175.019 0.000 . 1 . . . . 65 . . . 6122 1 792 . 1 1 69 69 GLN CA C 13 56.871 0.045 . 1 . . . . 65 . . . 6122 1 793 . 1 1 69 69 GLN CB C 13 30.385 0.044 . 1 . . . . 65 . . . 6122 1 794 . 1 1 69 69 GLN CG C 13 33.761 0.118 . 1 . . . . 65 . . . 6122 1 795 . 1 1 69 69 GLN HA H 1 4.221 0.004 . 1 . . . . 65 . . . 6122 1 796 . 1 1 69 69 GLN HB2 H 1 2.294 0.002 . 2 . . . . 65 . . . 6122 1 797 . 1 1 69 69 GLN HB3 H 1 2.075 0.009 . 2 . . . . 65 . . . 6122 1 798 . 1 1 69 69 GLN HE21 H 1 7.552 0.004 . 1 . . . . 65 . . . 6122 1 799 . 1 1 69 69 GLN HE22 H 1 7.325 0.004 . 1 . . . . 65 . . . 6122 1 800 . 1 1 69 69 GLN HG2 H 1 2.478 0.003 . 1 . . . . 65 . . . 6122 1 801 . 1 1 69 69 GLN HG3 H 1 2.478 0.003 . 1 . . . . 65 . . . 6122 1 802 . 1 1 69 69 GLN H H 1 7.715 0.004 . 1 . . . . 65 . . . 6122 1 803 . 1 1 69 69 GLN N N 15 121.489 0.035 . 1 . . . . 65 . . . 6122 1 804 . 1 1 69 69 GLN NE2 N 15 108.204 0.008 . 1 . . . . 65 . . . 6122 1 805 . 1 1 70 70 GLU C C 13 176.386 0.000 . 1 . . . . 66 . . . 6122 1 806 . 1 1 70 70 GLU CA C 13 56.052 0.045 . 1 . . . . 66 . . . 6122 1 807 . 1 1 70 70 GLU CB C 13 31.819 0.043 . 1 . . . . 66 . . . 6122 1 808 . 1 1 70 70 GLU CG C 13 37.835 0.011 . 1 . . . . 66 . . . 6122 1 809 . 1 1 70 70 GLU HA H 1 5.230 0.004 . 1 . . . . 66 . . . 6122 1 810 . 1 1 70 70 GLU HB2 H 1 2.047 0.011 . 2 . . . . 66 . . . 6122 1 811 . 1 1 70 70 GLU HB3 H 1 2.098 0.007 . 2 . . . . 66 . . . 6122 1 812 . 1 1 70 70 GLU HG2 H 1 2.430 0.002 . 2 . . . . 66 . . . 6122 1 813 . 1 1 70 70 GLU HG3 H 1 2.144 0.002 . 2 . . . . 66 . . . 6122 1 814 . 1 1 70 70 GLU H H 1 8.670 0.006 . 1 . . . . 66 . . . 6122 1 815 . 1 1 70 70 GLU N N 15 124.465 0.032 . 1 . . . . 66 . . . 6122 1 816 . 1 1 71 71 VAL C C 13 173.344 0.000 . 1 . . . . 67 . . . 6122 1 817 . 1 1 71 71 VAL CA C 13 59.271 0.051 . 1 . . . . 67 . . . 6122 1 818 . 1 1 71 71 VAL CB C 13 35.855 0.052 . 1 . . . . 67 . . . 6122 1 819 . 1 1 71 71 VAL CG1 C 13 21.487 0.031 . 1 . . . . 67 . . . 6122 1 820 . 1 1 71 71 VAL CG2 C 13 19.335 0.037 . 1 . . . . 67 . . . 6122 1 821 . 1 1 71 71 VAL HA H 1 4.673 0.003 . 1 . . . . 67 . . . 6122 1 822 . 1 1 71 71 VAL HB H 1 1.433 0.003 . 1 . . . . 67 . . . 6122 1 823 . 1 1 71 71 VAL HG11 H 1 0.318 0.004 . 1 . . . . 67 . . . 6122 1 824 . 1 1 71 71 VAL HG12 H 1 0.318 0.004 . 1 . . . . 67 . . . 6122 1 825 . 1 1 71 71 VAL HG13 H 1 0.318 0.004 . 1 . . . . 67 . . . 6122 1 826 . 1 1 71 71 VAL HG21 H 1 0.378 0.003 . 1 . . . . 67 . . . 6122 1 827 . 1 1 71 71 VAL HG22 H 1 0.378 0.003 . 1 . . . . 67 . . . 6122 1 828 . 1 1 71 71 VAL HG23 H 1 0.378 0.003 . 1 . . . . 67 . . . 6122 1 829 . 1 1 71 71 VAL H H 1 8.606 0.006 . 1 . . . . 67 . . . 6122 1 830 . 1 1 71 71 VAL N N 15 116.242 0.062 . 1 . . . . 67 . . . 6122 1 831 . 1 1 72 72 ILE C C 13 176.398 0.000 . 1 . . . . 68 . . . 6122 1 832 . 1 1 72 72 ILE CA C 13 60.575 0.044 . 1 . . . . 68 . . . 6122 1 833 . 1 1 72 72 ILE CB C 13 37.214 0.071 . 1 . . . . 68 . . . 6122 1 834 . 1 1 72 72 ILE CD1 C 13 12.168 0.046 . 1 . . . . 68 . . . 6122 1 835 . 1 1 72 72 ILE CG1 C 13 27.688 0.067 . 1 . . . . 68 . . . 6122 1 836 . 1 1 72 72 ILE CG2 C 13 18.166 0.025 . 1 . . . . 68 . . . 6122 1 837 . 1 1 72 72 ILE HA H 1 4.912 0.005 . 1 . . . . 68 . . . 6122 1 838 . 1 1 72 72 ILE HB H 1 1.911 0.006 . 1 . . . . 68 . . . 6122 1 839 . 1 1 72 72 ILE HD11 H 1 0.890 0.001 . 1 . . . . 68 . . . 6122 1 840 . 1 1 72 72 ILE HD12 H 1 0.890 0.001 . 1 . . . . 68 . . . 6122 1 841 . 1 1 72 72 ILE HD13 H 1 0.890 0.001 . 1 . . . . 68 . . . 6122 1 842 . 1 1 72 72 ILE HG12 H 1 1.271 0.004 . 2 . . . . 68 . . . 6122 1 843 . 1 1 72 72 ILE HG13 H 1 1.636 0.011 . 2 . . . . 68 . . . 6122 1 844 . 1 1 72 72 ILE HG21 H 1 0.844 0.002 . 1 . . . . 68 . . . 6122 1 845 . 1 1 72 72 ILE HG22 H 1 0.844 0.002 . 1 . . . . 68 . . . 6122 1 846 . 1 1 72 72 ILE HG23 H 1 0.844 0.002 . 1 . . . . 68 . . . 6122 1 847 . 1 1 72 72 ILE H H 1 7.293 0.007 . 1 . . . . 68 . . . 6122 1 848 . 1 1 72 72 ILE N N 15 123.339 0.040 . 1 . . . . 68 . . . 6122 1 849 . 1 1 73 73 VAL C C 13 173.650 0.000 . 1 . . . . 69 . . . 6122 1 850 . 1 1 73 73 VAL CA C 13 57.919 0.033 . 1 . . . . 69 . . . 6122 1 851 . 1 1 73 73 VAL CB C 13 36.786 0.046 . 1 . . . . 69 . . . 6122 1 852 . 1 1 73 73 VAL CG1 C 13 23.101 0.048 . 1 . . . . 69 . . . 6122 1 853 . 1 1 73 73 VAL CG2 C 13 18.004 0.031 . 1 . . . . 69 . . . 6122 1 854 . 1 1 73 73 VAL HA H 1 5.325 0.003 . 1 . . . . 69 . . . 6122 1 855 . 1 1 73 73 VAL HB H 1 1.948 0.004 . 1 . . . . 69 . . . 6122 1 856 . 1 1 73 73 VAL HG11 H 1 0.551 0.002 . 1 . . . . 69 . . . 6122 1 857 . 1 1 73 73 VAL HG12 H 1 0.551 0.002 . 1 . . . . 69 . . . 6122 1 858 . 1 1 73 73 VAL HG13 H 1 0.551 0.002 . 1 . . . . 69 . . . 6122 1 859 . 1 1 73 73 VAL HG21 H 1 0.589 0.005 . 1 . . . . 69 . . . 6122 1 860 . 1 1 73 73 VAL HG22 H 1 0.589 0.005 . 1 . . . . 69 . . . 6122 1 861 . 1 1 73 73 VAL HG23 H 1 0.589 0.005 . 1 . . . . 69 . . . 6122 1 862 . 1 1 73 73 VAL H H 1 9.064 0.006 . 1 . . . . 69 . . . 6122 1 863 . 1 1 73 73 VAL N N 15 117.076 0.035 . 1 . . . . 69 . . . 6122 1 864 . 1 1 74 74 GLN C C 13 175.077 0.000 . 1 . . . . 70 . . . 6122 1 865 . 1 1 74 74 GLN CA C 13 53.431 0.043 . 1 . . . . 70 . . . 6122 1 866 . 1 1 74 74 GLN CB C 13 33.992 0.087 . 1 . . . . 70 . . . 6122 1 867 . 1 1 74 74 GLN CG C 13 34.345 0.070 . 1 . . . . 70 . . . 6122 1 868 . 1 1 74 74 GLN HA H 1 5.126 0.005 . 1 . . . . 70 . . . 6122 1 869 . 1 1 74 74 GLN HB2 H 1 1.956 0.014 . 1 . . . . 70 . . . 6122 1 870 . 1 1 74 74 GLN HB3 H 1 1.956 0.014 . 1 . . . . 70 . . . 6122 1 871 . 1 1 74 74 GLN HE21 H 1 7.329 0.007 . 1 . . . . 70 . . . 6122 1 872 . 1 1 74 74 GLN HE22 H 1 6.979 0.005 . 1 . . . . 70 . . . 6122 1 873 . 1 1 74 74 GLN HG2 H 1 2.196 0.004 . 2 . . . . 70 . . . 6122 1 874 . 1 1 74 74 GLN HG3 H 1 2.313 0.007 . 2 . . . . 70 . . . 6122 1 875 . 1 1 74 74 GLN H H 1 8.652 0.006 . 1 . . . . 70 . . . 6122 1 876 . 1 1 74 74 GLN N N 15 117.722 0.049 . 1 . . . . 70 . . . 6122 1 877 . 1 1 74 74 GLN NE2 N 15 111.571 0.033 . 1 . . . . 70 . . . 6122 1 878 . 1 1 75 75 ILE C C 13 175.421 0.000 . 1 . . . . 71 . . . 6122 1 879 . 1 1 75 75 ILE CA C 13 62.805 0.042 . 1 . . . . 71 . . . 6122 1 880 . 1 1 75 75 ILE CB C 13 38.000 0.040 . 1 . . . . 71 . . . 6122 1 881 . 1 1 75 75 ILE CD1 C 13 12.797 0.014 . 1 . . . . 71 . . . 6122 1 882 . 1 1 75 75 ILE CG1 C 13 28.019 0.044 . 1 . . . . 71 . . . 6122 1 883 . 1 1 75 75 ILE CG2 C 13 17.710 0.053 . 1 . . . . 71 . . . 6122 1 884 . 1 1 75 75 ILE HA H 1 3.945 0.005 . 1 . . . . 71 . . . 6122 1 885 . 1 1 75 75 ILE HB H 1 1.947 0.007 . 1 . . . . 71 . . . 6122 1 886 . 1 1 75 75 ILE HD11 H 1 0.791 0.004 . 1 . . . . 71 . . . 6122 1 887 . 1 1 75 75 ILE HD12 H 1 0.791 0.004 . 1 . . . . 71 . . . 6122 1 888 . 1 1 75 75 ILE HD13 H 1 0.791 0.004 . 1 . . . . 71 . . . 6122 1 889 . 1 1 75 75 ILE HG12 H 1 0.977 0.007 . 2 . . . . 71 . . . 6122 1 890 . 1 1 75 75 ILE HG13 H 1 1.534 0.000 . 2 . . . . 71 . . . 6122 1 891 . 1 1 75 75 ILE HG21 H 1 0.850 0.004 . 1 . . . . 71 . . . 6122 1 892 . 1 1 75 75 ILE HG22 H 1 0.850 0.004 . 1 . . . . 71 . . . 6122 1 893 . 1 1 75 75 ILE HG23 H 1 0.850 0.004 . 1 . . . . 71 . . . 6122 1 894 . 1 1 75 75 ILE H H 1 8.629 0.007 . 1 . . . . 71 . . . 6122 1 895 . 1 1 75 75 ILE N N 15 122.652 0.041 . 1 . . . . 71 . . . 6122 1 896 . 1 1 76 76 ASP C C 13 175.970 0.000 . 1 . . . . 72 . . . 6122 1 897 . 1 1 76 76 ASP CA C 13 55.091 0.028 . 1 . . . . 72 . . . 6122 1 898 . 1 1 76 76 ASP CB C 13 43.315 0.024 . 1 . . . . 72 . . . 6122 1 899 . 1 1 76 76 ASP HA H 1 4.820 0.007 . 1 . . . . 72 . . . 6122 1 900 . 1 1 76 76 ASP HB2 H 1 2.308 0.001 . 1 . . . . 72 . . . 6122 1 901 . 1 1 76 76 ASP HB3 H 1 2.548 0.003 . 1 . . . . 72 . . . 6122 1 902 . 1 1 76 76 ASP H H 1 9.262 0.006 . 1 . . . . 72 . . . 6122 1 903 . 1 1 76 76 ASP N N 15 130.748 0.026 . 1 . . . . 72 . . . 6122 1 904 . 1 1 77 77 LYS C C 13 175.339 0.000 . 1 . . . . 73 . . . 6122 1 905 . 1 1 77 77 LYS CA C 13 55.894 0.062 . 1 . . . . 73 . . . 6122 1 906 . 1 1 77 77 LYS CB C 13 35.052 0.065 . 1 . . . . 73 . . . 6122 1 907 . 1 1 77 77 LYS CD C 13 29.415 0.042 . 1 . . . . 73 . . . 6122 1 908 . 1 1 77 77 LYS CE C 13 42.547 0.032 . 1 . . . . 73 . . . 6122 1 909 . 1 1 77 77 LYS CG C 13 24.847 0.040 . 1 . . . . 73 . . . 6122 1 910 . 1 1 77 77 LYS HA H 1 4.540 0.002 . 1 . . . . 73 . . . 6122 1 911 . 1 1 77 77 LYS HB2 H 1 1.835 0.009 . 2 . . . . 73 . . . 6122 1 912 . 1 1 77 77 LYS HB3 H 1 1.923 0.011 . 2 . . . . 73 . . . 6122 1 913 . 1 1 77 77 LYS HD2 H 1 1.732 0.004 . 1 . . . . 73 . . . 6122 1 914 . 1 1 77 77 LYS HD3 H 1 1.732 0.004 . 1 . . . . 73 . . . 6122 1 915 . 1 1 77 77 LYS HE2 H 1 3.047 0.004 . 1 . . . . 73 . . . 6122 1 916 . 1 1 77 77 LYS HE3 H 1 3.047 0.004 . 1 . . . . 73 . . . 6122 1 917 . 1 1 77 77 LYS HG2 H 1 1.479 0.004 . 1 . . . . 73 . . . 6122 1 918 . 1 1 77 77 LYS HG3 H 1 1.479 0.004 . 1 . . . . 73 . . . 6122 1 919 . 1 1 77 77 LYS H H 1 7.832 0.005 . 1 . . . . 73 . . . 6122 1 920 . 1 1 77 77 LYS N N 15 116.924 0.046 . 1 . . . . 73 . . . 6122 1 921 . 1 1 78 78 GLU C C 13 176.333 0.000 . 1 . . . . 74 . . . 6122 1 922 . 1 1 78 78 GLU CA C 13 56.881 0.032 . 1 . . . . 74 . . . 6122 1 923 . 1 1 78 78 GLU CB C 13 30.712 0.035 . 1 . . . . 74 . . . 6122 1 924 . 1 1 78 78 GLU CG C 13 36.637 0.029 . 1 . . . . 74 . . . 6122 1 925 . 1 1 78 78 GLU HA H 1 4.242 0.007 . 1 . . . . 74 . . . 6122 1 926 . 1 1 78 78 GLU HB2 H 1 2.158 0.011 . 2 . . . . 74 . . . 6122 1 927 . 1 1 78 78 GLU HB3 H 1 2.017 0.002 . 2 . . . . 74 . . . 6122 1 928 . 1 1 78 78 GLU HG2 H 1 2.361 0.002 . 1 . . . . 74 . . . 6122 1 929 . 1 1 78 78 GLU HG3 H 1 2.361 0.002 . 1 . . . . 74 . . . 6122 1 930 . 1 1 78 78 GLU H H 1 8.631 0.004 . 1 . . . . 74 . . . 6122 1 931 . 1 1 78 78 GLU N N 15 122.039 0.033 . 1 . . . . 74 . . . 6122 1 932 . 1 1 79 79 GLU CA C 13 57.282 0.042 . 1 . . . . 75 . . . 6122 1 933 . 1 1 79 79 GLU CB C 13 31.024 0.058 . 1 . . . . 75 . . . 6122 1 934 . 1 1 79 79 GLU CG C 13 36.666 0.016 . 1 . . . . 75 . . . 6122 1 935 . 1 1 79 79 GLU HA H 1 4.112 0.007 . 1 . . . . 75 . . . 6122 1 936 . 1 1 79 79 GLU HB2 H 1 2.019 0.008 . 2 . . . . 75 . . . 6122 1 937 . 1 1 79 79 GLU HB3 H 1 2.083 0.004 . 2 . . . . 75 . . . 6122 1 938 . 1 1 79 79 GLU HG2 H 1 2.343 0.005 . 1 . . . . 75 . . . 6122 1 939 . 1 1 79 79 GLU HG3 H 1 2.343 0.005 . 1 . . . . 75 . . . 6122 1 940 . 1 1 79 79 GLU H H 1 8.686 0.007 . 1 . . . . 75 . . . 6122 1 941 . 1 1 79 79 GLU N N 15 121.939 0.028 . 1 . . . . 75 . . . 6122 1 942 . 1 1 80 80 ARG C C 13 176.590 0.000 . 1 . . . . 76 . . . 6122 1 943 . 1 1 80 80 ARG CA C 13 55.676 0.117 . 1 . . . . 76 . . . 6122 1 944 . 1 1 80 80 ARG CB C 13 31.961 0.036 . 1 . . . . 76 . . . 6122 1 945 . 1 1 80 80 ARG CD C 13 43.710 0.026 . 1 . . . . 76 . . . 6122 1 946 . 1 1 80 80 ARG CG C 13 27.196 0.049 . 1 . . . . 76 . . . 6122 1 947 . 1 1 80 80 ARG HA H 1 4.542 0.004 . 1 . . . . 76 . . . 6122 1 948 . 1 1 80 80 ARG HB2 H 1 1.894 0.005 . 2 . . . . 76 . . . 6122 1 949 . 1 1 80 80 ARG HB3 H 1 1.801 0.001 . 2 . . . . 76 . . . 6122 1 950 . 1 1 80 80 ARG HD2 H 1 3.249 0.004 . 1 . . . . 76 . . . 6122 1 951 . 1 1 80 80 ARG HD3 H 1 3.249 0.004 . 1 . . . . 76 . . . 6122 1 952 . 1 1 80 80 ARG HE H 1 7.291 0.002 . 1 . . . . 76 . . . 6122 1 953 . 1 1 80 80 ARG HG2 H 1 1.681 0.006 . 2 . . . . 76 . . . 6122 1 954 . 1 1 80 80 ARG H H 1 8.202 0.003 . 1 . . . . 76 . . . 6122 1 955 . 1 1 80 80 ARG N N 15 122.850 0.031 . 1 . . . . 76 . . . 6122 1 956 . 1 1 81 81 GLY CA C 13 46.828 0.067 . 1 . . . . 77 . . . 6122 1 957 . 1 1 81 81 GLY HA2 H 1 3.862 0.002 . 2 . . . . 77 . . . 6122 1 958 . 1 1 81 81 GLY HA3 H 1 3.983 0.002 . 2 . . . . 77 . . . 6122 1 959 . 1 1 81 81 GLY H H 1 8.820 0.006 . 1 . . . . 77 . . . 6122 1 960 . 1 1 81 81 GLY N N 15 112.590 0.037 . 1 . . . . 77 . . . 6122 1 961 . 1 1 82 82 ASN C C 13 175.227 0.000 . 1 . . . . 78 . . . 6122 1 962 . 1 1 82 82 ASN CA C 13 53.412 0.057 . 1 . . . . 78 . . . 6122 1 963 . 1 1 82 82 ASN CB C 13 38.484 0.063 . 1 . . . . 78 . . . 6122 1 964 . 1 1 82 82 ASN CG C 13 177.522 0.019 . 1 . . . . 78 . . . 6122 1 965 . 1 1 82 82 ASN HA H 1 4.686 0.006 . 1 . . . . 78 . . . 6122 1 966 . 1 1 82 82 ASN HB2 H 1 2.871 0.005 . 1 . . . . 78 . . . 6122 1 967 . 1 1 82 82 ASN HB3 H 1 2.871 0.005 . 1 . . . . 78 . . . 6122 1 968 . 1 1 82 82 ASN HD21 H 1 7.541 0.006 . 1 . . . . 78 . . . 6122 1 969 . 1 1 82 82 ASN HD22 H 1 6.879 0.005 . 1 . . . . 78 . . . 6122 1 970 . 1 1 82 82 ASN ND2 N 15 111.934 0.083 . 1 . . . . 78 . . . 6122 1 971 . 1 1 83 83 LYS C C 13 176.769 0.000 . 1 . . . . 79 . . . 6122 1 972 . 1 1 83 83 LYS CA C 13 56.512 0.068 . 1 . . . . 79 . . . 6122 1 973 . 1 1 83 83 LYS CB C 13 34.011 0.025 . 1 . . . . 79 . . . 6122 1 974 . 1 1 83 83 LYS CD C 13 29.260 0.045 . 1 . . . . 79 . . . 6122 1 975 . 1 1 83 83 LYS CE C 13 42.447 0.001 . 1 . . . . 79 . . . 6122 1 976 . 1 1 83 83 LYS CG C 13 25.165 0.024 . 1 . . . . 79 . . . 6122 1 977 . 1 1 83 83 LYS HA H 1 4.436 0.006 . 1 . . . . 79 . . . 6122 1 978 . 1 1 83 83 LYS HB2 H 1 1.981 0.008 . 2 . . . . 79 . . . 6122 1 979 . 1 1 83 83 LYS HB3 H 1 1.909 0.000 . 2 . . . . 79 . . . 6122 1 980 . 1 1 83 83 LYS HD2 H 1 1.639 0.006 . 1 . . . . 79 . . . 6122 1 981 . 1 1 83 83 LYS HD3 H 1 1.639 0.006 . 1 . . . . 79 . . . 6122 1 982 . 1 1 83 83 LYS HE2 H 1 2.943 0.003 . 1 . . . . 79 . . . 6122 1 983 . 1 1 83 83 LYS HE3 H 1 2.943 0.003 . 1 . . . . 79 . . . 6122 1 984 . 1 1 83 83 LYS HG2 H 1 1.483 0.002 . 1 . . . . 79 . . . 6122 1 985 . 1 1 83 83 LYS HG3 H 1 1.483 0.002 . 1 . . . . 79 . . . 6122 1 986 . 1 1 83 83 LYS H H 1 8.060 0.007 . 1 . . . . 79 . . . 6122 1 987 . 1 1 83 83 LYS N N 15 119.380 0.026 . 1 . . . . 79 . . . 6122 1 988 . 1 1 84 84 GLY C C 13 173.157 0.000 . 1 . . . . 80 . . . 6122 1 989 . 1 1 84 84 GLY CA C 13 44.800 0.050 . 1 . . . . 80 . . . 6122 1 990 . 1 1 84 84 GLY HA2 H 1 3.948 0.006 . 2 . . . . 80 . . . 6122 1 991 . 1 1 84 84 GLY HA3 H 1 4.327 0.006 . 2 . . . . 80 . . . 6122 1 992 . 1 1 84 84 GLY H H 1 8.423 0.005 . 1 . . . . 80 . . . 6122 1 993 . 1 1 84 84 GLY N N 15 107.963 0.027 . 1 . . . . 80 . . . 6122 1 994 . 1 1 85 85 ALA C C 13 176.362 0.000 . 1 . . . . 81 . . . 6122 1 995 . 1 1 85 85 ALA CA C 13 52.968 0.038 . 1 . . . . 81 . . . 6122 1 996 . 1 1 85 85 ALA CB C 13 20.285 0.036 . 1 . . . . 81 . . . 6122 1 997 . 1 1 85 85 ALA HA H 1 4.271 0.002 . 1 . . . . 81 . . . 6122 1 998 . 1 1 85 85 ALA HB1 H 1 1.476 0.003 . 1 . . . . 81 . . . 6122 1 999 . 1 1 85 85 ALA HB2 H 1 1.476 0.003 . 1 . . . . 81 . . . 6122 1 1000 . 1 1 85 85 ALA HB3 H 1 1.476 0.003 . 1 . . . . 81 . . . 6122 1 1001 . 1 1 85 85 ALA H H 1 8.448 0.009 . 1 . . . . 81 . . . 6122 1 1002 . 1 1 85 85 ALA N N 15 123.202 0.041 . 1 . . . . 81 . . . 6122 1 1003 . 1 1 86 86 ALA C C 13 177.243 0.000 . 1 . . . . 82 . . . 6122 1 1004 . 1 1 86 86 ALA CA C 13 51.941 0.076 . 1 . . . . 82 . . . 6122 1 1005 . 1 1 86 86 ALA CB C 13 20.235 0.042 . 1 . . . . 82 . . . 6122 1 1006 . 1 1 86 86 ALA HA H 1 4.954 0.004 . 1 . . . . 82 . . . 6122 1 1007 . 1 1 86 86 ALA HB1 H 1 1.663 0.002 . 1 . . . . 82 . . . 6122 1 1008 . 1 1 86 86 ALA HB2 H 1 1.663 0.002 . 1 . . . . 82 . . . 6122 1 1009 . 1 1 86 86 ALA HB3 H 1 1.663 0.002 . 1 . . . . 82 . . . 6122 1 1010 . 1 1 86 86 ALA H H 1 8.632 0.004 . 1 . . . . 82 . . . 6122 1 1011 . 1 1 86 86 ALA N N 15 124.173 0.032 . 1 . . . . 82 . . . 6122 1 1012 . 1 1 87 87 LEU C C 13 175.538 0.000 . 1 . . . . 83 . . . 6122 1 1013 . 1 1 87 87 LEU CA C 13 53.260 0.047 . 1 . . . . 83 . . . 6122 1 1014 . 1 1 87 87 LEU CB C 13 46.728 0.053 . 1 . . . . 83 . . . 6122 1 1015 . 1 1 87 87 LEU CD1 C 13 26.678 0.040 . 1 . . . . 83 . . . 6122 1 1016 . 1 1 87 87 LEU CD2 C 13 22.382 0.040 . 1 . . . . 83 . . . 6122 1 1017 . 1 1 87 87 LEU CG C 13 26.523 0.053 . 1 . . . . 83 . . . 6122 1 1018 . 1 1 87 87 LEU HA H 1 5.160 0.006 . 1 . . . . 83 . . . 6122 1 1019 . 1 1 87 87 LEU HB2 H 1 1.513 0.006 . 1 . . . . 83 . . . 6122 1 1020 . 1 1 87 87 LEU HB3 H 1 1.094 0.005 . 1 . . . . 83 . . . 6122 1 1021 . 1 1 87 87 LEU HD11 H 1 0.545 0.003 . 1 . . . . 83 . . . 6122 1 1022 . 1 1 87 87 LEU HD12 H 1 0.545 0.003 . 1 . . . . 83 . . . 6122 1 1023 . 1 1 87 87 LEU HD13 H 1 0.545 0.003 . 1 . . . . 83 . . . 6122 1 1024 . 1 1 87 87 LEU HD21 H 1 0.188 0.010 . 1 . . . . 83 . . . 6122 1 1025 . 1 1 87 87 LEU HD22 H 1 0.188 0.010 . 1 . . . . 83 . . . 6122 1 1026 . 1 1 87 87 LEU HD23 H 1 0.188 0.010 . 1 . . . . 83 . . . 6122 1 1027 . 1 1 87 87 LEU HG H 1 1.518 0.005 . 1 . . . . 83 . . . 6122 1 1028 . 1 1 87 87 LEU H H 1 8.952 0.005 . 1 . . . . 83 . . . 6122 1 1029 . 1 1 87 87 LEU N N 15 122.409 0.042 . 1 . . . . 83 . . . 6122 1 1030 . 1 1 88 88 THR C C 13 172.950 0.000 . 1 . . . . 84 . . . 6122 1 1031 . 1 1 88 88 THR CA C 13 60.518 0.046 . 1 . . . . 84 . . . 6122 1 1032 . 1 1 88 88 THR CB C 13 69.499 0.151 . 1 . . . . 84 . . . 6122 1 1033 . 1 1 88 88 THR CG2 C 13 20.080 0.062 . 1 . . . . 84 . . . 6122 1 1034 . 1 1 88 88 THR HA H 1 4.925 0.006 . 1 . . . . 84 . . . 6122 1 1035 . 1 1 88 88 THR HB H 1 4.156 0.005 . 1 . . . . 84 . . . 6122 1 1036 . 1 1 88 88 THR HG21 H 1 1.145 0.005 . 1 . . . . 84 . . . 6122 1 1037 . 1 1 88 88 THR HG22 H 1 1.145 0.005 . 1 . . . . 84 . . . 6122 1 1038 . 1 1 88 88 THR HG23 H 1 1.145 0.005 . 1 . . . . 84 . . . 6122 1 1039 . 1 1 88 88 THR H H 1 8.435 0.008 . 1 . . . . 84 . . . 6122 1 1040 . 1 1 88 88 THR N N 15 111.386 0.036 . 1 . . . . 84 . . . 6122 1 1041 . 1 1 89 89 THR C C 13 175.173 0.000 . 1 . . . . 85 . . . 6122 1 1042 . 1 1 89 89 THR CA C 13 62.210 0.035 . 1 . . . . 85 . . . 6122 1 1043 . 1 1 89 89 THR CB C 13 70.532 0.210 . 1 . . . . 85 . . . 6122 1 1044 . 1 1 89 89 THR CG2 C 13 22.218 0.054 . 1 . . . . 85 . . . 6122 1 1045 . 1 1 89 89 THR HA H 1 5.177 0.009 . 1 . . . . 85 . . . 6122 1 1046 . 1 1 89 89 THR HB H 1 4.479 0.305 . 1 . . . . 85 . . . 6122 1 1047 . 1 1 89 89 THR HG21 H 1 0.974 0.003 . 1 . . . . 85 . . . 6122 1 1048 . 1 1 89 89 THR HG22 H 1 0.974 0.003 . 1 . . . . 85 . . . 6122 1 1049 . 1 1 89 89 THR HG23 H 1 0.974 0.003 . 1 . . . . 85 . . . 6122 1 1050 . 1 1 89 89 THR H H 1 7.952 0.004 . 1 . . . . 85 . . . 6122 1 1051 . 1 1 89 89 THR N N 15 113.429 0.023 . 1 . . . . 85 . . . 6122 1 1052 . 1 1 90 90 PHE C C 13 174.797 0.000 . 1 . . . . 86 . . . 6122 1 1053 . 1 1 90 90 PHE CA C 13 58.374 0.040 . 1 . . . . 86 . . . 6122 1 1054 . 1 1 90 90 PHE CB C 13 37.221 0.019 . 1 . . . . 86 . . . 6122 1 1055 . 1 1 90 90 PHE CD1 C 13 131.935 0.091 . 3 . . . . 86 . . . 6122 1 1056 . 1 1 90 90 PHE HA H 1 4.690 0.002 . 1 . . . . 86 . . . 6122 1 1057 . 1 1 90 90 PHE HB2 H 1 3.077 0.003 . 1 . . . . 86 . . . 6122 1 1058 . 1 1 90 90 PHE HB3 H 1 3.077 0.003 . 1 . . . . 86 . . . 6122 1 1059 . 1 1 90 90 PHE HD1 H 1 7.366 0.006 . 3 . . . . 86 . . . 6122 1 1060 . 1 1 90 90 PHE H H 1 9.026 0.006 . 1 . . . . 86 . . . 6122 1 1061 . 1 1 90 90 PHE N N 15 127.628 0.053 . 1 . . . . 86 . . . 6122 1 1062 . 1 1 91 91 ILE C C 13 176.894 0.000 . 1 . . . . 87 . . . 6122 1 1063 . 1 1 91 91 ILE CA C 13 60.284 0.027 . 1 . . . . 87 . . . 6122 1 1064 . 1 1 91 91 ILE CB C 13 37.672 0.090 . 1 . . . . 87 . . . 6122 1 1065 . 1 1 91 91 ILE CD1 C 13 12.133 0.031 . 1 . . . . 87 . . . 6122 1 1066 . 1 1 91 91 ILE CG1 C 13 27.126 0.020 . 1 . . . . 87 . . . 6122 1 1067 . 1 1 91 91 ILE CG2 C 13 18.435 0.016 . 1 . . . . 87 . . . 6122 1 1068 . 1 1 91 91 ILE HA H 1 4.093 0.003 . 1 . . . . 87 . . . 6122 1 1069 . 1 1 91 91 ILE HB H 1 1.915 0.005 . 1 . . . . 87 . . . 6122 1 1070 . 1 1 91 91 ILE HD11 H 1 0.708 0.004 . 1 . . . . 87 . . . 6122 1 1071 . 1 1 91 91 ILE HD12 H 1 0.708 0.004 . 1 . . . . 87 . . . 6122 1 1072 . 1 1 91 91 ILE HD13 H 1 0.708 0.004 . 1 . . . . 87 . . . 6122 1 1073 . 1 1 91 91 ILE HG12 H 1 1.342 0.004 . 2 . . . . 87 . . . 6122 1 1074 . 1 1 91 91 ILE HG13 H 1 1.407 0.002 . 2 . . . . 87 . . . 6122 1 1075 . 1 1 91 91 ILE HG21 H 1 0.856 0.002 . 1 . . . . 87 . . . 6122 1 1076 . 1 1 91 91 ILE HG22 H 1 0.856 0.002 . 1 . . . . 87 . . . 6122 1 1077 . 1 1 91 91 ILE HG23 H 1 0.856 0.002 . 1 . . . . 87 . . . 6122 1 1078 . 1 1 91 91 ILE H H 1 7.673 0.004 . 1 . . . . 87 . . . 6122 1 1079 . 1 1 91 91 ILE N N 15 121.601 0.040 . 1 . . . . 87 . . . 6122 1 1080 . 1 1 92 92 SER C C 13 174.383 0.000 . 1 . . . . 88 . . . 6122 1 1081 . 1 1 92 92 SER CA C 13 58.049 0.047 . 1 . . . . 88 . . . 6122 1 1082 . 1 1 92 92 SER CB C 13 64.173 0.038 . 1 . . . . 88 . . . 6122 1 1083 . 1 1 92 92 SER HA H 1 4.611 0.004 . 1 . . . . 88 . . . 6122 1 1084 . 1 1 92 92 SER HB2 H 1 3.915 0.003 . 1 . . . . 88 . . . 6122 1 1085 . 1 1 92 92 SER HB3 H 1 3.915 0.003 . 1 . . . . 88 . . . 6122 1 1086 . 1 1 92 92 SER H H 1 9.050 0.005 . 1 . . . . 88 . . . 6122 1 1087 . 1 1 92 92 SER N N 15 121.671 0.054 . 1 . . . . 88 . . . 6122 1 1088 . 1 1 93 93 LEU C C 13 177.194 0.000 . 1 . . . . 89 . . . 6122 1 1089 . 1 1 93 93 LEU CA C 13 55.069 0.114 . 1 . . . . 89 . . . 6122 1 1090 . 1 1 93 93 LEU CB C 13 42.763 0.052 . 1 . . . . 89 . . . 6122 1 1091 . 1 1 93 93 LEU CD1 C 13 25.426 0.065 . 1 . . . . 89 . . . 6122 1 1092 . 1 1 93 93 LEU CD2 C 13 23.678 0.051 . 1 . . . . 89 . . . 6122 1 1093 . 1 1 93 93 LEU HA H 1 4.470 0.004 . 1 . . . . 89 . . . 6122 1 1094 . 1 1 93 93 LEU HB2 H 1 1.644 0.005 . 1 . . . . 89 . . . 6122 1 1095 . 1 1 93 93 LEU HB3 H 1 1.644 0.005 . 1 . . . . 89 . . . 6122 1 1096 . 1 1 93 93 LEU HD11 H 1 0.941 0.005 . 1 . . . . 89 . . . 6122 1 1097 . 1 1 93 93 LEU HD12 H 1 0.941 0.005 . 1 . . . . 89 . . . 6122 1 1098 . 1 1 93 93 LEU HD13 H 1 0.941 0.005 . 1 . . . . 89 . . . 6122 1 1099 . 1 1 93 93 LEU HD21 H 1 0.866 0.004 . 1 . . . . 89 . . . 6122 1 1100 . 1 1 93 93 LEU HD22 H 1 0.866 0.004 . 1 . . . . 89 . . . 6122 1 1101 . 1 1 93 93 LEU HD23 H 1 0.866 0.004 . 1 . . . . 89 . . . 6122 1 1102 . 1 1 93 93 LEU H H 1 8.444 0.004 . 1 . . . . 89 . . . 6122 1 1103 . 1 1 93 93 LEU N N 15 125.881 0.034 . 1 . . . . 89 . . . 6122 1 1104 . 1 1 94 94 ALA C C 13 178.097 0.000 . 1 . . . . 90 . . . 6122 1 1105 . 1 1 94 94 ALA CA C 13 52.935 0.048 . 1 . . . . 90 . . . 6122 1 1106 . 1 1 94 94 ALA CB C 13 19.679 0.051 . 1 . . . . 90 . . . 6122 1 1107 . 1 1 94 94 ALA HA H 1 4.376 0.004 . 1 . . . . 90 . . . 6122 1 1108 . 1 1 94 94 ALA HB1 H 1 1.436 0.004 . 1 . . . . 90 . . . 6122 1 1109 . 1 1 94 94 ALA HB2 H 1 1.436 0.004 . 1 . . . . 90 . . . 6122 1 1110 . 1 1 94 94 ALA HB3 H 1 1.436 0.004 . 1 . . . . 90 . . . 6122 1 1111 . 1 1 94 94 ALA H H 1 8.268 0.003 . 1 . . . . 90 . . . 6122 1 1112 . 1 1 94 94 ALA N N 15 124.694 0.117 . 1 . . . . 90 . . . 6122 1 1113 . 1 1 95 95 GLY C C 13 173.420 0.000 . 1 . . . . 91 . . . 6122 1 1114 . 1 1 95 95 GLY CA C 13 45.664 0.030 . 1 . . . . 91 . . . 6122 1 1115 . 1 1 95 95 GLY HA2 H 1 4.020 0.003 . 1 . . . . 91 . . . 6122 1 1116 . 1 1 95 95 GLY HA3 H 1 4.020 0.003 . 1 . . . . 91 . . . 6122 1 1117 . 1 1 95 95 GLY H H 1 8.404 0.004 . 1 . . . . 91 . . . 6122 1 1118 . 1 1 95 95 GLY N N 15 108.925 0.037 . 1 . . . . 91 . . . 6122 1 1119 . 1 1 96 96 SER CA C 13 60.168 0.017 . 1 . . . . 92 . . . 6122 1 1120 . 1 1 96 96 SER CB C 13 65.224 0.026 . 1 . . . . 92 . . . 6122 1 1121 . 1 1 96 96 SER HA H 1 4.335 0.004 . 1 . . . . 92 . . . 6122 1 1122 . 1 1 96 96 SER HB2 H 1 3.909 0.001 . 1 . . . . 92 . . . 6122 1 1123 . 1 1 96 96 SER HB3 H 1 3.909 0.001 . 1 . . . . 92 . . . 6122 1 1124 . 1 1 96 96 SER H H 1 7.881 0.005 . 1 . . . . 92 . . . 6122 1 1125 . 1 1 96 96 SER N N 15 121.057 0.037 . 1 . . . . 92 . . . 6122 1 stop_ save_