data_16045 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 16045 _Entry.Title ; 1H, 13C, and 15N Chemical Shift Assignments for the C-terminal EF-Hand domain of human cardiac sodium channel NaV1.5 ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2008-11-28 _Entry.Accession_date 2008-11-28 _Entry.Last_release_date . _Entry.Original_release_date . _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version 3.0.8.125 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype solution _Entry.Details . _Entry.BMRB_internal_directory_name . loop_ _Entry_author.Ordinal _Entry_author.Given_name _Entry_author.Family_name _Entry_author.First_initial _Entry_author.Middle_initials _Entry_author.Family_title _Entry_author.Entry_ID 1 Benjamin Chagot . . . 16045 2 Franck Potet . . . 16045 3 Jeffrey Balser . R. . 16045 4 Walter Chazin . J. . 16045 stop_ loop_ _SG_project.SG_project_ID _SG_project.Project_name _SG_project.Full_name_of_center _SG_project.Initial_of_center _SG_project.Entry_ID . 'not applicable' 'not applicable' . 16045 stop_ loop_ _Struct_keywords.Keywords _Struct_keywords.Text _Struct_keywords.Entry_ID EF-hand . 16045 protein . 16045 'sodium channel' . 16045 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 16045 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 381 16045 '15N chemical shifts' 96 16045 '1H chemical shifts' 673 16045 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 3 . . 2010-06-02 2008-11-28 update BMRB 'edit assembly name' 16045 2 . . 2009-03-04 2008-11-28 update BMRB 'complete entry citation' 16045 1 . . 2009-02-09 2008-11-28 original author 'original release' 16045 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 2KBI 'BMRB Entry Tracking System' 16045 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 16045 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 19074138 _Citation.Full_citation . _Citation.Title ; Solution NMR structure of the C-terminal EF-Hand domain of human cardiac sodium channel NaV1.5 ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'J. Biol. Chem.' _Citation.Journal_name_full 'The Journal of biological chemistry' _Citation.Journal_volume 284 _Citation.Journal_issue 10 _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 6436 _Citation.Page_last 6445 _Citation.Year 2009 _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 Benjamin Chagot . . . 16045 1 2 Franck Potet . . . 16045 1 3 Jeffrey Balser . R. . 16045 1 4 Walter Chazin . J. . 16045 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 16045 _Assembly.ID 1 _Assembly.Name hH1 _Assembly.BMRB_code . _Assembly.Number_of_components 1 _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds no _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state . _Assembly.Molecular_mass . _Assembly.Enzyme_commission_number . _Assembly.Details . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Entity_assembly.ID _Entity_assembly.Entity_assembly_name _Entity_assembly.Entity_ID _Entity_assembly.Entity_label _Entity_assembly.Asym_ID _Entity_assembly.PDB_chain_ID _Entity_assembly.Experimental_data_reported _Entity_assembly.Physical_state _Entity_assembly.Conformational_isomer _Entity_assembly.Chemical_exchange_state _Entity_assembly.Magnetic_equivalence_group_code _Entity_assembly.Role _Entity_assembly.Details _Entity_assembly.Entry_ID _Entity_assembly.Assembly_ID 1 hH1 1 $hH1 A . yes native no no . . . 16045 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_hH1 _Entity.Sf_category entity _Entity.Sf_framecode hH1 _Entity.Entry_ID 16045 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name hH1 _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID A _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; GPGSENFSVATEESTEPLSE DDFDMFYEIWEKFDPEATQF IEYSVLSDFADALSEPLRIA KPNQISLINMDLPMVSGDRI HCMDILFAFTKRVLGES ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details 'Residues 1-4 represent a non-native affinity tag' _Entity.Ambiguous_conformational_states no _Entity.Ambiguous_chem_comp_sites no _Entity.Nstd_monomer no _Entity.Nstd_chirality no _Entity.Nstd_linkage no _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 97 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'all free' _Entity.Src_method man _Entity.Parent_entity_ID . _Entity.Fragment ; EF-Hand domain of human cardiac sodium channel NaV1.5 ; _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 10994.295 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date 2015-11-25 loop_ _Entity_db_link.Ordinal _Entity_db_link.Author_supplied _Entity_db_link.Database_code _Entity_db_link.Accession_code _Entity_db_link.Entry_mol_code _Entity_db_link.Entry_mol_name _Entity_db_link.Entry_experimental_method _Entity_db_link.Entry_structure_resolution _Entity_db_link.Entry_relation_type _Entity_db_link.Entry_details _Entity_db_link.Chimera_segment_ID _Entity_db_link.Seq_query_to_submitted_percent _Entity_db_link.Seq_subject_length _Entity_db_link.Seq_identity _Entity_db_link.Seq_positive _Entity_db_link.Seq_homology_expectation_val _Entity_db_link.Seq_align_begin _Entity_db_link.Seq_align_end _Entity_db_link.Seq_difference_details _Entity_db_link.Seq_alignment_details _Entity_db_link.Entry_ID _Entity_db_link.Entity_ID 1 no BMRB 16031 . Nav1.5 . . . . . 97.94 129 98.95 98.95 6.22e-61 . . . . 16045 1 2 no PDB 2KBI . "Solution Nmr Structure Of The C-Terminal Ef-Hand Domain Of Human Cardiac Sodium Channel Nav1.5" . . . . . 100.00 97 100.00 100.00 2.81e-63 . . . . 16045 1 3 no PDB 4DCK . "Crystal Structure Of The C-Terminus Of Voltage-Gated Sodium Channel In Complex With Fgf13 And Cam" . . . . . 95.88 168 100.00 100.00 3.73e-60 . . . . 16045 1 4 no PDB 4JQ0 . "Voltage-gated Sodium Channel 1.5 C-terminal Domain In Complex With Fgf12b And Ca2+/calmodulin" . . . . . 97.94 191 98.95 98.95 7.09e-61 . . . . 16045 1 5 no DBJ BAD12084 . "TTX-resistant sodium channel [Homo sapiens]" . . . . . 95.88 2016 100.00 100.00 1.85e-53 . . . . 16045 1 6 no DBJ BAD12085 . "TTX-resistant sodium channel splicing variant [Homo sapiens]" . . . . . 95.88 1962 100.00 100.00 1.63e-53 . . . . 16045 1 7 no DBJ BAD92103 . "voltage-gated sodium channel type V alpha isoform b variant [Homo sapiens]" . . . . . 95.88 1576 100.00 100.00 1.85e-53 . . . . 16045 1 8 no DBJ BAE27800 . "unnamed protein product [Mus musculus]" . . . . . 95.88 2020 97.85 97.85 5.38e-52 . . . . 16045 1 9 no DBJ BAE27966 . "unnamed protein product [Mus musculus]" . . . . . 95.88 2020 97.85 97.85 5.38e-52 . . . . 16045 1 10 no EMBL CAB70096 . "voltage-gated sodium channel [Mus musculus]" . . . . . 95.88 2019 97.85 97.85 5.87e-52 . . . . 16045 1 11 no EMBL CAD88248 . "voltage-gated sodium channel alpha subunit [Canis lupus familiaris]" . . . . . 95.88 2013 98.92 98.92 6.51e-53 . . . . 16045 1 12 no GB AAA42114 . "sodium channel alpha-subunit [Rattus norvegicus]" . . . . . 95.88 2019 97.85 97.85 4.43e-52 . . . . 16045 1 13 no GB AAA58644 . "sodium channel alpha subunit [Homo sapiens]" . . . . . 95.88 2016 100.00 100.00 1.98e-53 . . . . 16045 1 14 no GB AAI40814 . "SCN5A protein [Homo sapiens]" . . . . . 95.88 1983 100.00 100.00 2.09e-53 . . . . 16045 1 15 no GB AAI44622 . "SCN5A protein [Homo sapiens]" . . . . . 95.88 1983 100.00 100.00 2.09e-53 . . . . 16045 1 16 no GB AAI72643 . "Sodium channel, voltage-gated, type V, alpha [synthetic construct]" . . . . . 95.88 2020 97.85 97.85 5.38e-52 . . . . 16045 1 17 no REF NP_000326 . "sodium channel protein type 5 subunit alpha isoform b [Homo sapiens]" . . . . . 95.88 2015 100.00 100.00 2.00e-53 . . . . 16045 1 18 no REF NP_001002994 . "sodium channel protein type 5 subunit alpha [Canis lupus familiaris]" . . . . . 95.88 2013 98.92 98.92 6.51e-53 . . . . 16045 1 19 no REF NP_001092874 . "sodium channel protein type 5 subunit alpha isoform c [Homo sapiens]" . . . . . 95.88 2016 100.00 100.00 2.08e-53 . . . . 16045 1 20 no REF NP_001092875 . "sodium channel protein type 5 subunit alpha isoform d [Homo sapiens]" . . . . . 95.88 1998 100.00 100.00 1.95e-53 . . . . 16045 1 21 no REF NP_001153632 . "sodium channel protein type 5 subunit alpha isoform e [Homo sapiens]" . . . . . 95.88 1983 100.00 100.00 2.09e-53 . . . . 16045 1 22 no SP P15389 . "RecName: Full=Sodium channel protein type 5 subunit alpha; AltName: Full=Sodium channel protein cardiac muscle subunit alpha; A" . . . . . 95.88 2019 97.85 97.85 4.43e-52 . . . . 16045 1 23 no SP Q14524 . "RecName: Full=Sodium channel protein type 5 subunit alpha; AltName: Full=HH1; AltName: Full=Sodium channel protein cardiac musc" . . . . . 95.88 2016 100.00 100.00 2.00e-53 . . . . 16045 1 24 no SP Q9JJV9 . "RecName: Full=Sodium channel protein type 5 subunit alpha; AltName: Full=Sodium channel protein cardiac muscle subunit alpha; A" . . . . . 95.88 2019 97.85 97.85 5.87e-52 . . . . 16045 1 25 no TPG DAA34921 . "TPA_inf: voltage-dependent sodium channel SCN5A [Monodelphis domestica]" . . . . . 95.88 1840 97.85 98.92 1.83e-52 . . . . 16045 1 stop_ loop_ _Entity_biological_function.Biological_function _Entity_biological_function.Entry_ID _Entity_biological_function.Entity_ID channel 16045 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 . 16045 1 2 -3 PRO . 16045 1 3 -2 GLY . 16045 1 4 -1 SER . 16045 1 5 1773 GLU . 16045 1 6 1774 ASN . 16045 1 7 1775 PHE . 16045 1 8 1776 SER . 16045 1 9 1777 VAL . 16045 1 10 1778 ALA . 16045 1 11 1779 THR . 16045 1 12 1780 GLU . 16045 1 13 1781 GLU . 16045 1 14 1782 SER . 16045 1 15 1783 THR . 16045 1 16 1784 GLU . 16045 1 17 1785 PRO . 16045 1 18 1786 LEU . 16045 1 19 1787 SER . 16045 1 20 1788 GLU . 16045 1 21 1789 ASP . 16045 1 22 1790 ASP . 16045 1 23 1791 PHE . 16045 1 24 1792 ASP . 16045 1 25 1793 MET . 16045 1 26 1794 PHE . 16045 1 27 1795 TYR . 16045 1 28 1796 GLU . 16045 1 29 1797 ILE . 16045 1 30 1798 TRP . 16045 1 31 1799 GLU . 16045 1 32 1800 LYS . 16045 1 33 1801 PHE . 16045 1 34 1802 ASP . 16045 1 35 1803 PRO . 16045 1 36 1804 GLU . 16045 1 37 1805 ALA . 16045 1 38 1806 THR . 16045 1 39 1807 GLN . 16045 1 40 1808 PHE . 16045 1 41 1809 ILE . 16045 1 42 1810 GLU . 16045 1 43 1811 TYR . 16045 1 44 1812 SER . 16045 1 45 1813 VAL . 16045 1 46 1814 LEU . 16045 1 47 1815 SER . 16045 1 48 1816 ASP . 16045 1 49 1817 PHE . 16045 1 50 1818 ALA . 16045 1 51 1819 ASP . 16045 1 52 1820 ALA . 16045 1 53 1821 LEU . 16045 1 54 1822 SER . 16045 1 55 1823 GLU . 16045 1 56 1824 PRO . 16045 1 57 1825 LEU . 16045 1 58 1826 ARG . 16045 1 59 1827 ILE . 16045 1 60 1828 ALA . 16045 1 61 1829 LYS . 16045 1 62 1830 PRO . 16045 1 63 1831 ASN . 16045 1 64 1832 GLN . 16045 1 65 1833 ILE . 16045 1 66 1834 SER . 16045 1 67 1835 LEU . 16045 1 68 1836 ILE . 16045 1 69 1837 ASN . 16045 1 70 1838 MET . 16045 1 71 1839 ASP . 16045 1 72 1840 LEU . 16045 1 73 1841 PRO . 16045 1 74 1842 MET . 16045 1 75 1843 VAL . 16045 1 76 1844 SER . 16045 1 77 1845 GLY . 16045 1 78 1846 ASP . 16045 1 79 1847 ARG . 16045 1 80 1848 ILE . 16045 1 81 1849 HIS . 16045 1 82 1850 CYS . 16045 1 83 1851 MET . 16045 1 84 1852 ASP . 16045 1 85 1853 ILE . 16045 1 86 1854 LEU . 16045 1 87 1855 PHE . 16045 1 88 1856 ALA . 16045 1 89 1857 PHE . 16045 1 90 1858 THR . 16045 1 91 1859 LYS . 16045 1 92 1860 ARG . 16045 1 93 1861 VAL . 16045 1 94 1862 LEU . 16045 1 95 1863 GLY . 16045 1 96 1864 GLU . 16045 1 97 1865 SER . 16045 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 16045 1 . PRO 2 2 16045 1 . GLY 3 3 16045 1 . SER 4 4 16045 1 . GLU 5 5 16045 1 . ASN 6 6 16045 1 . PHE 7 7 16045 1 . SER 8 8 16045 1 . VAL 9 9 16045 1 . ALA 10 10 16045 1 . THR 11 11 16045 1 . GLU 12 12 16045 1 . GLU 13 13 16045 1 . SER 14 14 16045 1 . THR 15 15 16045 1 . GLU 16 16 16045 1 . PRO 17 17 16045 1 . LEU 18 18 16045 1 . SER 19 19 16045 1 . GLU 20 20 16045 1 . ASP 21 21 16045 1 . ASP 22 22 16045 1 . PHE 23 23 16045 1 . ASP 24 24 16045 1 . MET 25 25 16045 1 . PHE 26 26 16045 1 . TYR 27 27 16045 1 . GLU 28 28 16045 1 . ILE 29 29 16045 1 . TRP 30 30 16045 1 . GLU 31 31 16045 1 . LYS 32 32 16045 1 . PHE 33 33 16045 1 . ASP 34 34 16045 1 . PRO 35 35 16045 1 . GLU 36 36 16045 1 . ALA 37 37 16045 1 . THR 38 38 16045 1 . GLN 39 39 16045 1 . PHE 40 40 16045 1 . ILE 41 41 16045 1 . GLU 42 42 16045 1 . TYR 43 43 16045 1 . SER 44 44 16045 1 . VAL 45 45 16045 1 . LEU 46 46 16045 1 . SER 47 47 16045 1 . ASP 48 48 16045 1 . PHE 49 49 16045 1 . ALA 50 50 16045 1 . ASP 51 51 16045 1 . ALA 52 52 16045 1 . LEU 53 53 16045 1 . SER 54 54 16045 1 . GLU 55 55 16045 1 . PRO 56 56 16045 1 . LEU 57 57 16045 1 . ARG 58 58 16045 1 . ILE 59 59 16045 1 . ALA 60 60 16045 1 . LYS 61 61 16045 1 . PRO 62 62 16045 1 . ASN 63 63 16045 1 . GLN 64 64 16045 1 . ILE 65 65 16045 1 . SER 66 66 16045 1 . LEU 67 67 16045 1 . ILE 68 68 16045 1 . ASN 69 69 16045 1 . MET 70 70 16045 1 . ASP 71 71 16045 1 . LEU 72 72 16045 1 . PRO 73 73 16045 1 . MET 74 74 16045 1 . VAL 75 75 16045 1 . SER 76 76 16045 1 . GLY 77 77 16045 1 . ASP 78 78 16045 1 . ARG 79 79 16045 1 . ILE 80 80 16045 1 . HIS 81 81 16045 1 . CYS 82 82 16045 1 . MET 83 83 16045 1 . ASP 84 84 16045 1 . ILE 85 85 16045 1 . LEU 86 86 16045 1 . PHE 87 87 16045 1 . ALA 88 88 16045 1 . PHE 89 89 16045 1 . THR 90 90 16045 1 . LYS 91 91 16045 1 . ARG 92 92 16045 1 . VAL 93 93 16045 1 . LEU 94 94 16045 1 . GLY 95 95 16045 1 . GLU 96 96 16045 1 . SER 97 97 16045 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 16045 _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 $hH1 . 9606 organism . 'Homo sapiens' Human . . Eukaryota Metazoa Homo sapiens . . . . . . . . . . . . . . . . . . . . . 16045 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 16045 _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 $hH1 . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli 'BL21 (DE3)' . . . . . . . . . . . . . . . pBG100 . . . 'pET27 derivative' . . 16045 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 16045 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '100% H2O' _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 hH1 '[U-100% 13C; U-100% 15N]' . . 1 $hH1 . . 1.2 . . mM . . . . 16045 1 2 H2O 'natural abundance' . . . . . . 100 . . % . . . . 16045 1 3 phosphate 'natural abundance' . . . . . . 100 . . mM . . . . 16045 1 4 NaCl 'natural abundance' . . . . . . 200 . . mM . . . . 16045 1 5 beta-mercaptoethanol 'natural abundance' . . . . . . 5 . . mM . . . . 16045 1 6 NaN3 'natural abundance' . . . . . . 0.01 . . % . . . . 16045 1 stop_ save_ save_sample_2 _Sample.Sf_category sample _Sample.Sf_framecode sample_2 _Sample.Entry_ID 16045 _Sample.ID 2 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '100% H2O' _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 hH1 'natural abundance' . . 1 $hH1 . . 1.2 . . mM . . . . 16045 2 2 H2O 'natural abundance' . . . . . . 100 . . % . . . . 16045 2 3 phosphate 'natural abundance' . . . . . . 100 . . mM . . . . 16045 2 4 NaCl 'natural abundance' . . . . . . 200 . . mM . . . . 16045 2 5 beta-mercaptoethanol 'natural abundance' . . . . . . 5 . . mM . . . . 16045 2 6 NaN3 'natural abundance' . . . . . . 0.01 . . % . . . . 16045 2 stop_ save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode sample_conditions_1 _Sample_condition_list.Entry_ID 16045 _Sample_condition_list.ID 1 _Sample_condition_list.Details ; 100 mM phosphate at pH 6.5, 200 mM NaCl, 5 mM beta-mercaptoethanol and 0.01% NaN3. ; loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID pH 6.5 . pH 16045 1 pressure 1 . atm 16045 1 temperature 298 . K 16045 1 stop_ save_ ############################ # Computer software used # ############################ save_TOPSPIN _Software.Sf_category software _Software.Sf_framecode TOPSPIN _Software.Entry_ID 16045 _Software.ID 1 _Software.Name TOPSPIN _Software.Version 2.0 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Bruker Biospin' . . 16045 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID collection 16045 1 processing 16045 1 stop_ save_ save_CYANA _Software.Sf_category software _Software.Sf_framecode CYANA _Software.Entry_ID 16045 _Software.ID 2 _Software.Name CYANA _Software.Version 2.1 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Guntert, Mumenthaler and Wuthrich' . . 16045 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'structure solution' 16045 2 stop_ save_ save_AMBER _Software.Sf_category software _Software.Sf_framecode AMBER _Software.Entry_ID 16045 _Software.ID 3 _Software.Name AMBER _Software.Version 9 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Case, Darden, Cheatham, III, Simmerling, Wang, Duke, Luo, ... and Kollm' . . 16045 3 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID refinement 16045 3 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 16045 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details cryoprobe _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model AMX _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ save_NMR_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode NMR_spectrometer_list _NMR_spectrometer_list.Entry_ID 16045 _NMR_spectrometer_list.ID 1 loop_ _NMR_spectrometer_view.ID _NMR_spectrometer_view.Name _NMR_spectrometer_view.Manufacturer _NMR_spectrometer_view.Model _NMR_spectrometer_view.Serial_number _NMR_spectrometer_view.Field_strength _NMR_spectrometer_view.Details _NMR_spectrometer_view.Citation_ID _NMR_spectrometer_view.Citation_label _NMR_spectrometer_view.Entry_ID _NMR_spectrometer_view.NMR_spectrometer_list_ID 1 spectrometer_1 Bruker AMX . 600 cryoprobe . . 16045 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 16045 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NMR_spec_expt_ID _Experiment.NMR_spec_expt_label _Experiment.MS_expt_ID _Experiment.MS_expt_label _Experiment.SAXS_expt_ID _Experiment.SAXS_expt_label _Experiment.FRET_expt_ID _Experiment.FRET_expt_label _Experiment.EMR_expt_ID _Experiment.EMR_expt_label _Experiment.Sample_ID _Experiment.Sample_label _Experiment.Sample_state _Experiment.Sample_volume _Experiment.Sample_volume_units _Experiment.Sample_condition_list_ID _Experiment.Sample_condition_list_label _Experiment.Sample_spinning_rate _Experiment.Sample_angle _Experiment.NMR_tube_type _Experiment.NMR_spectrometer_ID _Experiment.NMR_spectrometer_label _Experiment.NMR_spectrometer_probe_ID _Experiment.NMR_spectrometer_probe_label _Experiment.NMR_spectral_processing_ID _Experiment.NMR_spectral_processing_label _Experiment.Mass_spectrometer_ID _Experiment.Mass_spectrometer_label _Experiment.Xray_instrument_ID _Experiment.Xray_instrument_label _Experiment.Fluorescence_instrument_ID _Experiment.Fluorescence_instrument_label _Experiment.EMR_instrument_ID _Experiment.EMR_instrument_label _Experiment.Chromatographic_system_ID _Experiment.Chromatographic_system_label _Experiment.Chromatographic_column_ID _Experiment.Chromatographic_column_label _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 '2D 1H-15N HSQC' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 16045 1 2 '2D 1H-13C HSQC' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 16045 1 3 '3D CBCA(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 16045 1 4 '3D HNCO' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 16045 1 5 '3D HNCACB' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 16045 1 6 '3D HCCH-TOCSY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 16045 1 7 '3D HCCH-COSY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 16045 1 8 '3D 1H-15N NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 16045 1 9 '3D 1H-13C NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 16045 1 10 '2D 1H-1H NOESY' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 16045 1 stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference_1 _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chemical_shift_reference_1 _Chem_shift_reference.Entry_ID 16045 _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 water 'methyl protons' . . . . ppm 4.7 internal direct 1 . . . . . . . . . 16045 1 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_assigned_chem_shift_list_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chem_shift_list_1 _Assigned_chem_shift_list.Entry_ID 16045 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 1 '2D 1H-15N HSQC' . . . 16045 1 3 '3D CBCA(CO)NH' . . . 16045 1 4 '3D HNCO' . . . 16045 1 5 '3D HNCACB' . . . 16045 1 6 '3D HCCH-TOCSY' . . . 16045 1 7 '3D HCCH-COSY' . . . 16045 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 2 2 PRO HA H 1 4.358 0.004 . 1 . . . . -3 PRO HA . 16045 1 2 . 1 1 2 2 PRO HB2 H 1 2.21 0.008 . 2 . . . . -3 PRO HB2 . 16045 1 3 . 1 1 2 2 PRO HB3 H 1 1.893 0.004 . 2 . . . . -3 PRO HB3 . 16045 1 4 . 1 1 2 2 PRO HD2 H 1 3.502 0.007 . 2 . . . . -3 PRO HD2 . 16045 1 5 . 1 1 2 2 PRO HD3 H 1 3.473 0.003 . 2 . . . . -3 PRO HD3 . 16045 1 6 . 1 1 2 2 PRO HG2 H 1 1.929 0.009 . 2 . . . . -3 PRO QG . 16045 1 7 . 1 1 2 2 PRO HG3 H 1 1.929 0.009 . 2 . . . . -3 PRO QG . 16045 1 8 . 1 1 2 2 PRO C C 13 175.166 0.3 . 1 . . . . -3 PRO C . 16045 1 9 . 1 1 2 2 PRO CA C 13 61.214 0.067 . 1 . . . . -3 PRO CA . 16045 1 10 . 1 1 2 2 PRO CB C 13 29.738 0.052 . 1 . . . . -3 PRO CB . 16045 1 11 . 1 1 2 2 PRO CD C 13 47.357 0.059 . 1 . . . . -3 PRO CD . 16045 1 12 . 1 1 2 2 PRO CG C 13 24.707 0.119 . 1 . . . . -3 PRO CG . 16045 1 13 . 1 1 3 3 GLY H H 1 8.599 0.002 . 1 . . . . -2 GLY H . 16045 1 14 . 1 1 3 3 GLY HA2 H 1 3.921 0.007 . 2 . . . . -2 GLY QA . 16045 1 15 . 1 1 3 3 GLY HA3 H 1 3.921 0.007 . 2 . . . . -2 GLY QA . 16045 1 16 . 1 1 3 3 GLY C C 13 172.127 0.3 . 1 . . . . -2 GLY C . 16045 1 17 . 1 1 3 3 GLY CA C 13 43.001 0.042 . 1 . . . . -2 GLY CA . 16045 1 18 . 1 1 3 3 GLY N N 15 110.027 0.049 . 1 . . . . -2 GLY N . 16045 1 19 . 1 1 4 4 SER H H 1 8.09 0.003 . 1 . . . . -1 SER H . 16045 1 20 . 1 1 4 4 SER HA H 1 4.34 0.005 . 1 . . . . -1 SER HA . 16045 1 21 . 1 1 4 4 SER HB2 H 1 3.788 0.011 . 2 . . . . -1 SER QB . 16045 1 22 . 1 1 4 4 SER HB3 H 1 3.788 0.011 . 2 . . . . -1 SER QB . 16045 1 23 . 1 1 4 4 SER C C 13 172.434 0.3 . 1 . . . . -1 SER C . 16045 1 24 . 1 1 4 4 SER CA C 13 56.126 0.064 . 1 . . . . -1 SER CA . 16045 1 25 . 1 1 4 4 SER CB C 13 61.367 0.078 . 1 . . . . -1 SER CB . 16045 1 26 . 1 1 4 4 SER N N 15 115.232 0.03 . 1 . . . . -1 SER N . 16045 1 27 . 1 1 5 5 GLU H H 1 8.497 0.002 . 1 . . . . 1773 GLU H . 16045 1 28 . 1 1 5 5 GLU HA H 1 4.146 0.006 . 1 . . . . 1773 GLU HA . 16045 1 29 . 1 1 5 5 GLU HB2 H 1 1.853 0.001 . 2 . . . . 1773 GLU HB2 . 16045 1 30 . 1 1 5 5 GLU HB3 H 1 1.777 0.004 . 2 . . . . 1773 GLU HB3 . 16045 1 31 . 1 1 5 5 GLU HG2 H 1 2.119 0.004 . 2 . . . . 1773 GLU QG . 16045 1 32 . 1 1 5 5 GLU HG3 H 1 2.119 0.004 . 2 . . . . 1773 GLU QG . 16045 1 33 . 1 1 5 5 GLU C C 13 173.783 0.3 . 1 . . . . 1773 GLU C . 16045 1 34 . 1 1 5 5 GLU CA C 13 54.487 0.046 . 1 . . . . 1773 GLU CA . 16045 1 35 . 1 1 5 5 GLU CB C 13 27.511 0.251 . 1 . . . . 1773 GLU CB . 16045 1 36 . 1 1 5 5 GLU CG C 13 33.654 0.111 . 1 . . . . 1773 GLU CG . 16045 1 37 . 1 1 5 5 GLU N N 15 122.118 0.02 . 1 . . . . 1773 GLU N . 16045 1 38 . 1 1 6 6 ASN H H 1 8.207 0.002 . 1 . . . . 1774 ASN H . 16045 1 39 . 1 1 6 6 ASN HA H 1 4.566 0.004 . 1 . . . . 1774 ASN HA . 16045 1 40 . 1 1 6 6 ASN HB2 H 1 2.658 0.014 . 2 . . . . 1774 ASN HB2 . 16045 1 41 . 1 1 6 6 ASN HB3 H 1 2.565 0.01 . 2 . . . . 1774 ASN HB3 . 16045 1 42 . 1 1 6 6 ASN HD21 H 1 6.799 0.02 . 2 . . . . 1774 ASN HD21 . 16045 1 43 . 1 1 6 6 ASN HD22 H 1 7.442 0.02 . 2 . . . . 1774 ASN HD22 . 16045 1 44 . 1 1 6 6 ASN C C 13 172.413 0.3 . 1 . . . . 1774 ASN C . 16045 1 45 . 1 1 6 6 ASN CA C 13 50.756 0.062 . 1 . . . . 1774 ASN CA . 16045 1 46 . 1 1 6 6 ASN CB C 13 36.488 0.056 . 1 . . . . 1774 ASN CB . 16045 1 47 . 1 1 6 6 ASN N N 15 118.604 0.014 . 1 . . . . 1774 ASN N . 16045 1 48 . 1 1 6 6 ASN ND2 N 15 112.642 0.3 . 1 . . . . 1774 ASN ND2 . 16045 1 49 . 1 1 7 7 PHE H H 1 8.01 0.003 . 1 . . . . 1775 PHE H . 16045 1 50 . 1 1 7 7 PHE HA H 1 4.553 0.005 . 1 . . . . 1775 PHE HA . 16045 1 51 . 1 1 7 7 PHE HB2 H 1 3.072 0.006 . 2 . . . . 1775 PHE HB2 . 16045 1 52 . 1 1 7 7 PHE HB3 H 1 2.944 0.005 . 2 . . . . 1775 PHE HB3 . 16045 1 53 . 1 1 7 7 PHE HD1 H 1 7.138 0.02 . 3 . . . . 1775 PHE QD . 16045 1 54 . 1 1 7 7 PHE HD2 H 1 7.138 0.02 . 3 . . . . 1775 PHE QD . 16045 1 55 . 1 1 7 7 PHE HE1 H 1 7.247 0.02 . 3 . . . . 1775 PHE QE . 16045 1 56 . 1 1 7 7 PHE HE2 H 1 7.247 0.02 . 3 . . . . 1775 PHE QE . 16045 1 57 . 1 1 7 7 PHE C C 13 173.245 0.02 . 1 . . . . 1775 PHE C . 16045 1 58 . 1 1 7 7 PHE CA C 13 55.387 0.077 . 1 . . . . 1775 PHE CA . 16045 1 59 . 1 1 7 7 PHE CB C 13 37.096 0.068 . 1 . . . . 1775 PHE CB . 16045 1 60 . 1 1 7 7 PHE N N 15 120.359 0.01 . 1 . . . . 1775 PHE N . 16045 1 61 . 1 1 8 8 SER H H 1 8.094 0.002 . 1 . . . . 1776 SER H . 16045 1 62 . 1 1 8 8 SER HA H 1 4.361 0.007 . 1 . . . . 1776 SER HA . 16045 1 63 . 1 1 8 8 SER HB2 H 1 3.71 0.004 . 2 . . . . 1776 SER QB . 16045 1 64 . 1 1 8 8 SER HB3 H 1 3.71 0.004 . 2 . . . . 1776 SER QB . 16045 1 65 . 1 1 8 8 SER C C 13 171.752 0.3 . 1 . . . . 1776 SER C . 16045 1 66 . 1 1 8 8 SER CA C 13 55.72 0.046 . 1 . . . . 1776 SER CA . 16045 1 67 . 1 1 8 8 SER CB C 13 61.535 0.079 . 1 . . . . 1776 SER CB . 16045 1 68 . 1 1 8 8 SER N N 15 117.283 0.071 . 1 . . . . 1776 SER N . 16045 1 69 . 1 1 9 9 VAL H H 1 7.996 0.003 . 1 . . . . 1777 VAL H . 16045 1 70 . 1 1 9 9 VAL HA H 1 4.047 0.006 . 1 . . . . 1777 VAL HA . 16045 1 71 . 1 1 9 9 VAL HB H 1 2.004 0.004 . 1 . . . . 1777 VAL HB . 16045 1 72 . 1 1 9 9 VAL HG11 H 1 0.849 0.004 . 2 . . . . 1777 VAL QG1 . 16045 1 73 . 1 1 9 9 VAL HG12 H 1 0.849 0.004 . 2 . . . . 1777 VAL QG1 . 16045 1 74 . 1 1 9 9 VAL HG13 H 1 0.849 0.004 . 2 . . . . 1777 VAL QG1 . 16045 1 75 . 1 1 9 9 VAL HG21 H 1 0.852 0.003 . 2 . . . . 1777 VAL QG2 . 16045 1 76 . 1 1 9 9 VAL HG22 H 1 0.852 0.003 . 2 . . . . 1777 VAL QG2 . 16045 1 77 . 1 1 9 9 VAL HG23 H 1 0.852 0.003 . 2 . . . . 1777 VAL QG2 . 16045 1 78 . 1 1 9 9 VAL C C 13 173.442 0.3 . 1 . . . . 1777 VAL C . 16045 1 79 . 1 1 9 9 VAL CA C 13 59.653 0.049 . 1 . . . . 1777 VAL CA . 16045 1 80 . 1 1 9 9 VAL CB C 13 30.427 0.062 . 1 . . . . 1777 VAL CB . 16045 1 81 . 1 1 9 9 VAL CG1 C 13 18.443 0.18 . 2 . . . . 1777 VAL CG1 . 16045 1 82 . 1 1 9 9 VAL CG2 C 13 18.285 0.3 . 2 . . . . 1777 VAL CG2 . 16045 1 83 . 1 1 9 9 VAL N N 15 121.165 0.013 . 1 . . . . 1777 VAL N . 16045 1 84 . 1 1 10 10 ALA H H 1 8.282 0.002 . 1 . . . . 1778 ALA H . 16045 1 85 . 1 1 10 10 ALA HA H 1 4.315 0.01 . 1 . . . . 1778 ALA HA . 16045 1 86 . 1 1 10 10 ALA HB1 H 1 1.308 0.003 . 1 . . . . 1778 ALA QB . 16045 1 87 . 1 1 10 10 ALA HB2 H 1 1.308 0.003 . 1 . . . . 1778 ALA QB . 16045 1 88 . 1 1 10 10 ALA HB3 H 1 1.308 0.003 . 1 . . . . 1778 ALA QB . 16045 1 89 . 1 1 10 10 ALA C C 13 175.515 0.3 . 1 . . . . 1778 ALA C . 16045 1 90 . 1 1 10 10 ALA CA C 13 50.149 0.102 . 1 . . . . 1778 ALA CA . 16045 1 91 . 1 1 10 10 ALA CB C 13 16.859 0.059 . 1 . . . . 1778 ALA CB . 16045 1 92 . 1 1 10 10 ALA N N 15 127.346 0.017 . 1 . . . . 1778 ALA N . 16045 1 93 . 1 1 11 11 THR H H 1 8.041 0.003 . 1 . . . . 1779 THR H . 16045 1 94 . 1 1 11 11 THR HA H 1 4.235 0.004 . 1 . . . . 1779 THR HA . 16045 1 95 . 1 1 11 11 THR HB H 1 4.144 0.003 . 1 . . . . 1779 THR HB . 16045 1 96 . 1 1 11 11 THR HG21 H 1 1.113 0.007 . 1 . . . . 1779 THR QG2 . 16045 1 97 . 1 1 11 11 THR HG22 H 1 1.113 0.007 . 1 . . . . 1779 THR QG2 . 16045 1 98 . 1 1 11 11 THR HG23 H 1 1.113 0.007 . 1 . . . . 1779 THR QG2 . 16045 1 99 . 1 1 11 11 THR C C 13 172.318 0.3 . 1 . . . . 1779 THR C . 16045 1 100 . 1 1 11 11 THR CA C 13 59.387 0.065 . 1 . . . . 1779 THR CA . 16045 1 101 . 1 1 11 11 THR CB C 13 67.468 0.049 . 1 . . . . 1779 THR CB . 16045 1 102 . 1 1 11 11 THR CG2 C 13 19.172 0.043 . 1 . . . . 1779 THR CG2 . 16045 1 103 . 1 1 11 11 THR N N 15 113.336 0.017 . 1 . . . . 1779 THR N . 16045 1 104 . 1 1 12 12 GLU H H 1 8.353 0.002 . 1 . . . . 1780 GLU H . 16045 1 105 . 1 1 12 12 GLU HA H 1 4.245 0.003 . 1 . . . . 1780 GLU HA . 16045 1 106 . 1 1 12 12 GLU HB2 H 1 1.99 0.003 . 2 . . . . 1780 GLU HB2 . 16045 1 107 . 1 1 12 12 GLU HB3 H 1 1.867 0.003 . 2 . . . . 1780 GLU HB3 . 16045 1 108 . 1 1 12 12 GLU HG2 H 1 2.188 0.02 . 2 . . . . 1780 GLU QG . 16045 1 109 . 1 1 12 12 GLU HG3 H 1 2.188 0.02 . 2 . . . . 1780 GLU QG . 16045 1 110 . 1 1 12 12 GLU C C 13 174.071 0.3 . 1 . . . . 1780 GLU C . 16045 1 111 . 1 1 12 12 GLU CA C 13 54.261 0.043 . 1 . . . . 1780 GLU CA . 16045 1 112 . 1 1 12 12 GLU CB C 13 27.934 0.07 . 1 . . . . 1780 GLU CB . 16045 1 113 . 1 1 12 12 GLU CG C 13 33.694 0.3 . 1 . . . . 1780 GLU CG . 16045 1 114 . 1 1 12 12 GLU N N 15 122.674 0.066 . 1 . . . . 1780 GLU N . 16045 1 115 . 1 1 13 13 GLU H H 1 8.343 0.002 . 1 . . . . 1781 GLU H . 16045 1 116 . 1 1 13 13 GLU HA H 1 4.234 0.006 . 1 . . . . 1781 GLU HA . 16045 1 117 . 1 1 13 13 GLU HB2 H 1 1.982 0.005 . 2 . . . . 1781 GLU HB2 . 16045 1 118 . 1 1 13 13 GLU HB3 H 1 1.854 0.006 . 2 . . . . 1781 GLU HB3 . 16045 1 119 . 1 1 13 13 GLU HG2 H 1 2.169 0.003 . 2 . . . . 1781 GLU QG . 16045 1 120 . 1 1 13 13 GLU HG3 H 1 2.169 0.003 . 2 . . . . 1781 GLU QG . 16045 1 121 . 1 1 13 13 GLU C C 13 174.095 0.3 . 1 . . . . 1781 GLU C . 16045 1 122 . 1 1 13 13 GLU CA C 13 54.153 0.042 . 1 . . . . 1781 GLU CA . 16045 1 123 . 1 1 13 13 GLU CB C 13 27.988 0.073 . 1 . . . . 1781 GLU CB . 16045 1 124 . 1 1 13 13 GLU CG C 13 33.791 0.055 . 1 . . . . 1781 GLU CG . 16045 1 125 . 1 1 13 13 GLU N N 15 121.574 0.025 . 1 . . . . 1781 GLU N . 16045 1 126 . 1 1 14 14 SER H H 1 8.304 0.002 . 1 . . . . 1782 SER H . 16045 1 127 . 1 1 14 14 SER HA H 1 4.451 0.006 . 1 . . . . 1782 SER HA . 16045 1 128 . 1 1 14 14 SER HB2 H 1 3.795 0.009 . 2 . . . . 1782 SER QB . 16045 1 129 . 1 1 14 14 SER HB3 H 1 3.795 0.009 . 2 . . . . 1782 SER QB . 16045 1 130 . 1 1 14 14 SER C C 13 172.341 0.3 . 1 . . . . 1782 SER C . 16045 1 131 . 1 1 14 14 SER CA C 13 55.782 0.041 . 1 . . . . 1782 SER CA . 16045 1 132 . 1 1 14 14 SER CB C 13 61.504 0.076 . 1 . . . . 1782 SER CB . 16045 1 133 . 1 1 14 14 SER N N 15 116.784 0.044 . 1 . . . . 1782 SER N . 16045 1 134 . 1 1 15 15 THR H H 1 8.174 0.002 . 1 . . . . 1783 THR H . 16045 1 135 . 1 1 15 15 THR HA H 1 4.3 0.009 . 1 . . . . 1783 THR HA . 16045 1 136 . 1 1 15 15 THR HB H 1 4.137 0.007 . 1 . . . . 1783 THR HB . 16045 1 137 . 1 1 15 15 THR HG21 H 1 1.106 0.005 . 1 . . . . 1783 THR QG2 . 16045 1 138 . 1 1 15 15 THR HG22 H 1 1.106 0.005 . 1 . . . . 1783 THR QG2 . 16045 1 139 . 1 1 15 15 THR HG23 H 1 1.106 0.005 . 1 . . . . 1783 THR QG2 . 16045 1 140 . 1 1 15 15 THR C C 13 172 0.3 . 1 . . . . 1783 THR C . 16045 1 141 . 1 1 15 15 THR CA C 13 59.23 0.056 . 1 . . . . 1783 THR CA . 16045 1 142 . 1 1 15 15 THR CB C 13 67.54 0.072 . 1 . . . . 1783 THR CB . 16045 1 143 . 1 1 15 15 THR CG2 C 13 19.236 0.057 . 1 . . . . 1783 THR CG2 . 16045 1 144 . 1 1 15 15 THR N N 15 116.029 0.025 . 1 . . . . 1783 THR N . 16045 1 145 . 1 1 16 16 GLU H H 1 8.307 0.002 . 1 . . . . 1784 GLU H . 16045 1 146 . 1 1 16 16 GLU HA H 1 4.537 0.004 . 1 . . . . 1784 GLU HA . 16045 1 147 . 1 1 16 16 GLU HB2 H 1 2.015 0.005 . 2 . . . . 1784 GLU HB2 . 16045 1 148 . 1 1 16 16 GLU HB3 H 1 1.806 0.007 . 2 . . . . 1784 GLU HB3 . 16045 1 149 . 1 1 16 16 GLU HG2 H 1 2.25 0.005 . 2 . . . . 1784 GLU HG2 . 16045 1 150 . 1 1 16 16 GLU HG3 H 1 2.21 0.006 . 2 . . . . 1784 GLU HG3 . 16045 1 151 . 1 1 16 16 GLU CA C 13 51.964 0.052 . 1 . . . . 1784 GLU CA . 16045 1 152 . 1 1 16 16 GLU CB C 13 27.553 0.101 . 1 . . . . 1784 GLU CB . 16045 1 153 . 1 1 16 16 GLU CG C 13 33.616 0.3 . 1 . . . . 1784 GLU CG . 16045 1 154 . 1 1 16 16 GLU N N 15 124.022 0.024 . 1 . . . . 1784 GLU N . 16045 1 155 . 1 1 17 17 PRO HA H 1 4.296 0.004 . 1 . . . . 1785 PRO HA . 16045 1 156 . 1 1 17 17 PRO HB2 H 1 2.177 0.006 . 2 . . . . 1785 PRO HB2 . 16045 1 157 . 1 1 17 17 PRO HB3 H 1 1.731 0.004 . 2 . . . . 1785 PRO HB3 . 16045 1 158 . 1 1 17 17 PRO HD2 H 1 3.69 0.003 . 2 . . . . 1785 PRO QD . 16045 1 159 . 1 1 17 17 PRO HD3 H 1 3.69 0.003 . 2 . . . . 1785 PRO QD . 16045 1 160 . 1 1 17 17 PRO HG2 H 1 1.928 0.003 . 2 . . . . 1785 PRO HG2 . 16045 1 161 . 1 1 17 17 PRO HG3 H 1 1.861 0.001 . 2 . . . . 1785 PRO HG3 . 16045 1 162 . 1 1 17 17 PRO C C 13 174.135 0.3 . 1 . . . . 1785 PRO C . 16045 1 163 . 1 1 17 17 PRO CA C 13 61.298 0.036 . 1 . . . . 1785 PRO CA . 16045 1 164 . 1 1 17 17 PRO CB C 13 29.886 0.059 . 1 . . . . 1785 PRO CB . 16045 1 165 . 1 1 17 17 PRO CD C 13 48.169 0.062 . 1 . . . . 1785 PRO CD . 16045 1 166 . 1 1 17 17 PRO CG C 13 25.005 0.103 . 1 . . . . 1785 PRO CG . 16045 1 167 . 1 1 18 18 LEU H H 1 7.514 0.004 . 1 . . . . 1786 LEU H . 16045 1 168 . 1 1 18 18 LEU HA H 1 4.512 0.005 . 1 . . . . 1786 LEU HA . 16045 1 169 . 1 1 18 18 LEU HB2 H 1 1.535 0.006 . 2 . . . . 1786 LEU HB2 . 16045 1 170 . 1 1 18 18 LEU HB3 H 1 1.183 0.003 . 2 . . . . 1786 LEU HB3 . 16045 1 171 . 1 1 18 18 LEU HD11 H 1 0.645 0.001 . 2 . . . . 1786 LEU QD1 . 16045 1 172 . 1 1 18 18 LEU HD12 H 1 0.645 0.001 . 2 . . . . 1786 LEU QD1 . 16045 1 173 . 1 1 18 18 LEU HD13 H 1 0.645 0.001 . 2 . . . . 1786 LEU QD1 . 16045 1 174 . 1 1 18 18 LEU HD21 H 1 0.715 0.002 . 2 . . . . 1786 LEU QD2 . 16045 1 175 . 1 1 18 18 LEU HD22 H 1 0.715 0.002 . 2 . . . . 1786 LEU QD2 . 16045 1 176 . 1 1 18 18 LEU HD23 H 1 0.715 0.002 . 2 . . . . 1786 LEU QD2 . 16045 1 177 . 1 1 18 18 LEU HG H 1 1.433 0.014 . 1 . . . . 1786 LEU HG . 16045 1 178 . 1 1 18 18 LEU C C 13 173.833 0.3 . 1 . . . . 1786 LEU C . 16045 1 179 . 1 1 18 18 LEU CA C 13 51.47 0.071 . 1 . . . . 1786 LEU CA . 16045 1 180 . 1 1 18 18 LEU CB C 13 41.958 0.048 . 1 . . . . 1786 LEU CB . 16045 1 181 . 1 1 18 18 LEU CD1 C 13 21.794 0.021 . 2 . . . . 1786 LEU CD1 . 16045 1 182 . 1 1 18 18 LEU CD2 C 13 23.898 0.108 . 2 . . . . 1786 LEU CD2 . 16045 1 183 . 1 1 18 18 LEU CG C 13 24.739 0.3 . 1 . . . . 1786 LEU CG . 16045 1 184 . 1 1 18 18 LEU N N 15 117.505 0.016 . 1 . . . . 1786 LEU N . 16045 1 185 . 1 1 19 19 SER H H 1 9.465 0.005 . 1 . . . . 1787 SER H . 16045 1 186 . 1 1 19 19 SER HA H 1 4.68 0.004 . 1 . . . . 1787 SER HA . 16045 1 187 . 1 1 19 19 SER HB2 H 1 4.145 0.012 . 2 . . . . 1787 SER HB2 . 16045 1 188 . 1 1 19 19 SER HB3 H 1 3.855 0.011 . 2 . . . . 1787 SER HB3 . 16045 1 189 . 1 1 19 19 SER C C 13 172.862 0.3 . 1 . . . . 1787 SER C . 16045 1 190 . 1 1 19 19 SER CA C 13 54.325 0.076 . 1 . . . . 1787 SER CA . 16045 1 191 . 1 1 19 19 SER CB C 13 64.207 0.079 . 1 . . . . 1787 SER CB . 16045 1 192 . 1 1 19 19 SER N N 15 119.433 0.023 . 1 . . . . 1787 SER N . 16045 1 193 . 1 1 20 20 GLU H H 1 8.955 0.002 . 1 . . . . 1788 GLU H . 16045 1 194 . 1 1 20 20 GLU HA H 1 4.154 0.008 . 1 . . . . 1788 GLU HA . 16045 1 195 . 1 1 20 20 GLU HB2 H 1 2.076 0.002 . 2 . . . . 1788 GLU HB2 . 16045 1 196 . 1 1 20 20 GLU HB3 H 1 2.026 0.001 . 2 . . . . 1788 GLU HB3 . 16045 1 197 . 1 1 20 20 GLU HG2 H 1 2.357 0.008 . 2 . . . . 1788 GLU QG . 16045 1 198 . 1 1 20 20 GLU HG3 H 1 2.357 0.008 . 2 . . . . 1788 GLU QG . 16045 1 199 . 1 1 20 20 GLU C C 13 175.994 0.3 . 1 . . . . 1788 GLU C . 16045 1 200 . 1 1 20 20 GLU CA C 13 57.786 0.09 . 1 . . . . 1788 GLU CA . 16045 1 201 . 1 1 20 20 GLU CB C 13 27.029 0.06 . 1 . . . . 1788 GLU CB . 16045 1 202 . 1 1 20 20 GLU CG C 13 34.078 0.08 . 1 . . . . 1788 GLU CG . 16045 1 203 . 1 1 20 20 GLU N N 15 121.127 0.047 . 1 . . . . 1788 GLU N . 16045 1 204 . 1 1 21 21 ASP H H 1 8.088 0.003 . 1 . . . . 1789 ASP H . 16045 1 205 . 1 1 21 21 ASP HA H 1 4.364 0.006 . 1 . . . . 1789 ASP HA . 16045 1 206 . 1 1 21 21 ASP HB2 H 1 2.619 0.007 . 2 . . . . 1789 ASP HB2 . 16045 1 207 . 1 1 21 21 ASP HB3 H 1 2.466 0.009 . 2 . . . . 1789 ASP HB3 . 16045 1 208 . 1 1 21 21 ASP C C 13 176.384 0.3 . 1 . . . . 1789 ASP C . 16045 1 209 . 1 1 21 21 ASP CA C 13 54.687 0.075 . 1 . . . . 1789 ASP CA . 16045 1 210 . 1 1 21 21 ASP CB C 13 38.154 0.103 . 1 . . . . 1789 ASP CB . 16045 1 211 . 1 1 21 21 ASP N N 15 116.637 0.046 . 1 . . . . 1789 ASP N . 16045 1 212 . 1 1 22 22 ASP H H 1 7.674 0.003 . 1 . . . . 1790 ASP H . 16045 1 213 . 1 1 22 22 ASP HA H 1 4.34 0.005 . 1 . . . . 1790 ASP HA . 16045 1 214 . 1 1 22 22 ASP HB2 H 1 2.611 0.005 . 2 . . . . 1790 ASP HB2 . 16045 1 215 . 1 1 22 22 ASP HB3 H 1 2.184 0.007 . 2 . . . . 1790 ASP HB3 . 16045 1 216 . 1 1 22 22 ASP C C 13 175.926 0.3 . 1 . . . . 1790 ASP C . 16045 1 217 . 1 1 22 22 ASP CA C 13 55.457 0.031 . 1 . . . . 1790 ASP CA . 16045 1 218 . 1 1 22 22 ASP CB C 13 38.62 0.087 . 1 . . . . 1790 ASP CB . 16045 1 219 . 1 1 22 22 ASP N N 15 120.096 0.03 . 1 . . . . 1790 ASP N . 16045 1 220 . 1 1 23 23 PHE H H 1 7.437 0.004 . 1 . . . . 1791 PHE H . 16045 1 221 . 1 1 23 23 PHE HA H 1 3.991 0.005 . 1 . . . . 1791 PHE HA . 16045 1 222 . 1 1 23 23 PHE HB2 H 1 3.046 0.004 . 2 . . . . 1791 PHE QB . 16045 1 223 . 1 1 23 23 PHE HB3 H 1 3.046 0.004 . 2 . . . . 1791 PHE QB . 16045 1 224 . 1 1 23 23 PHE HD1 H 1 7.018 0.02 . 3 . . . . 1791 PHE QD . 16045 1 225 . 1 1 23 23 PHE HD2 H 1 7.018 0.02 . 3 . . . . 1791 PHE QD . 16045 1 226 . 1 1 23 23 PHE HE1 H 1 7.059 0.02 . 3 . . . . 1791 PHE QE . 16045 1 227 . 1 1 23 23 PHE HE2 H 1 7.059 0.02 . 3 . . . . 1791 PHE QE . 16045 1 228 . 1 1 23 23 PHE C C 13 174.498 0.3 . 1 . . . . 1791 PHE C . 16045 1 229 . 1 1 23 23 PHE CA C 13 59.336 0.072 . 1 . . . . 1791 PHE CA . 16045 1 230 . 1 1 23 23 PHE CB C 13 35.626 0.067 . 1 . . . . 1791 PHE CB . 16045 1 231 . 1 1 23 23 PHE N N 15 118.516 0.008 . 1 . . . . 1791 PHE N . 16045 1 232 . 1 1 24 24 ASP H H 1 8.383 0.003 . 1 . . . . 1792 ASP H . 16045 1 233 . 1 1 24 24 ASP HA H 1 4.544 0.003 . 1 . . . . 1792 ASP HA . 16045 1 234 . 1 1 24 24 ASP HB2 H 1 2.808 0.009 . 2 . . . . 1792 ASP HB2 . 16045 1 235 . 1 1 24 24 ASP HB3 H 1 2.723 0.003 . 2 . . . . 1792 ASP HB3 . 16045 1 236 . 1 1 24 24 ASP C C 13 177.105 0.3 . 1 . . . . 1792 ASP C . 16045 1 237 . 1 1 24 24 ASP CA C 13 55.619 0.039 . 1 . . . . 1792 ASP CA . 16045 1 238 . 1 1 24 24 ASP CB C 13 37.654 0.043 . 1 . . . . 1792 ASP CB . 16045 1 239 . 1 1 24 24 ASP N N 15 118.973 0.012 . 1 . . . . 1792 ASP N . 16045 1 240 . 1 1 25 25 MET H H 1 7.783 0.004 . 1 . . . . 1793 MET H . 16045 1 241 . 1 1 25 25 MET HA H 1 4.276 0.009 . 1 . . . . 1793 MET HA . 16045 1 242 . 1 1 25 25 MET HB2 H 1 2.369 0.004 . 2 . . . . 1793 MET HB2 . 16045 1 243 . 1 1 25 25 MET HB3 H 1 2.239 0.004 . 2 . . . . 1793 MET HB3 . 16045 1 244 . 1 1 25 25 MET HE1 H 1 2.179 0.02 . 1 . . . . 1793 MET HE . 16045 1 245 . 1 1 25 25 MET HE2 H 1 2.179 0.02 . 1 . . . . 1793 MET HE . 16045 1 246 . 1 1 25 25 MET HE3 H 1 2.179 0.02 . 1 . . . . 1793 MET HE . 16045 1 247 . 1 1 25 25 MET HG2 H 1 2.814 0.007 . 2 . . . . 1793 MET HG2 . 16045 1 248 . 1 1 25 25 MET HG3 H 1 2.618 0.005 . 2 . . . . 1793 MET HG3 . 16045 1 249 . 1 1 25 25 MET C C 13 175.086 0.3 . 1 . . . . 1793 MET C . 16045 1 250 . 1 1 25 25 MET CA C 13 56.054 0.102 . 1 . . . . 1793 MET CA . 16045 1 251 . 1 1 25 25 MET CB C 13 27.087 0.089 . 1 . . . . 1793 MET CB . 16045 1 252 . 1 1 25 25 MET CE C 13 14.252 0.3 . 1 . . . . 1793 MET CE . 16045 1 253 . 1 1 25 25 MET CG C 13 28.733 0.07 . 1 . . . . 1793 MET CG . 16045 1 254 . 1 1 25 25 MET N N 15 120.183 0.016 . 1 . . . . 1793 MET N . 16045 1 255 . 1 1 26 26 PHE H H 1 7.911 0.003 . 1 . . . . 1794 PHE H . 16045 1 256 . 1 1 26 26 PHE HA H 1 3.869 0.008 . 1 . . . . 1794 PHE HA . 16045 1 257 . 1 1 26 26 PHE HB2 H 1 3.361 0.003 . 2 . . . . 1794 PHE HB2 . 16045 1 258 . 1 1 26 26 PHE HB3 H 1 2.739 0.003 . 2 . . . . 1794 PHE HB3 . 16045 1 259 . 1 1 26 26 PHE HD1 H 1 6.799 0.02 . 3 . . . . 1794 PHE QD . 16045 1 260 . 1 1 26 26 PHE HD2 H 1 6.799 0.02 . 3 . . . . 1794 PHE QD . 16045 1 261 . 1 1 26 26 PHE HE1 H 1 6.961 0.02 . 3 . . . . 1794 PHE QE . 16045 1 262 . 1 1 26 26 PHE HE2 H 1 6.961 0.02 . 3 . . . . 1794 PHE QE . 16045 1 263 . 1 1 26 26 PHE C C 13 174.944 0.3 . 1 . . . . 1794 PHE C . 16045 1 264 . 1 1 26 26 PHE CA C 13 59.501 0.059 . 1 . . . . 1794 PHE CA . 16045 1 265 . 1 1 26 26 PHE CB C 13 36.221 0.114 . 1 . . . . 1794 PHE CB . 16045 1 266 . 1 1 26 26 PHE N N 15 121.223 0.179 . 1 . . . . 1794 PHE N . 16045 1 267 . 1 1 27 27 TYR H H 1 8.497 0.003 . 1 . . . . 1795 TYR H . 16045 1 268 . 1 1 27 27 TYR HA H 1 4.397 0.007 . 1 . . . . 1795 TYR HA . 16045 1 269 . 1 1 27 27 TYR HB2 H 1 3.288 0.008 . 2 . . . . 1795 TYR HB2 . 16045 1 270 . 1 1 27 27 TYR HB3 H 1 3.052 0.006 . 2 . . . . 1795 TYR HB3 . 16045 1 271 . 1 1 27 27 TYR HD1 H 1 7.223 0.02 . 3 . . . . 1795 TYR QD . 16045 1 272 . 1 1 27 27 TYR HD2 H 1 7.223 0.02 . 3 . . . . 1795 TYR QD . 16045 1 273 . 1 1 27 27 TYR HE1 H 1 6.709 0.02 . 3 . . . . 1795 TYR QE . 16045 1 274 . 1 1 27 27 TYR HE2 H 1 6.709 0.02 . 3 . . . . 1795 TYR QE . 16045 1 275 . 1 1 27 27 TYR C C 13 176.172 0.3 . 1 . . . . 1795 TYR C . 16045 1 276 . 1 1 27 27 TYR CA C 13 58.631 0.055 . 1 . . . . 1795 TYR CA . 16045 1 277 . 1 1 27 27 TYR CB C 13 35.076 0.095 . 1 . . . . 1795 TYR CB . 16045 1 278 . 1 1 27 27 TYR N N 15 117.484 0.014 . 1 . . . . 1795 TYR N . 16045 1 279 . 1 1 28 28 GLU H H 1 8.189 0.004 . 1 . . . . 1796 GLU H . 16045 1 280 . 1 1 28 28 GLU HA H 1 4.137 0.006 . 1 . . . . 1796 GLU HA . 16045 1 281 . 1 1 28 28 GLU HB2 H 1 2.242 0.004 . 2 . . . . 1796 GLU QB . 16045 1 282 . 1 1 28 28 GLU HB3 H 1 2.242 0.004 . 2 . . . . 1796 GLU QB . 16045 1 283 . 1 1 28 28 GLU HG2 H 1 2.405 0.011 . 2 . . . . 1796 GLU HG2 . 16045 1 284 . 1 1 28 28 GLU HG3 H 1 2.148 0.001 . 2 . . . . 1796 GLU HG3 . 16045 1 285 . 1 1 28 28 GLU C C 13 176.998 0.3 . 1 . . . . 1796 GLU C . 16045 1 286 . 1 1 28 28 GLU CA C 13 57.325 0.042 . 1 . . . . 1796 GLU CA . 16045 1 287 . 1 1 28 28 GLU CB C 13 27.276 0.069 . 1 . . . . 1796 GLU CB . 16045 1 288 . 1 1 28 28 GLU CG C 13 33.99 0.3 . 1 . . . . 1796 GLU CG . 16045 1 289 . 1 1 28 28 GLU N N 15 120.997 0.043 . 1 . . . . 1796 GLU N . 16045 1 290 . 1 1 29 29 ILE H H 1 8.154 0.004 . 1 . . . . 1797 ILE H . 16045 1 291 . 1 1 29 29 ILE HA H 1 3.846 0.004 . 1 . . . . 1797 ILE HA . 16045 1 292 . 1 1 29 29 ILE HB H 1 1.974 0.003 . 1 . . . . 1797 ILE HB . 16045 1 293 . 1 1 29 29 ILE HD11 H 1 0.667 0.002 . 1 . . . . 1797 ILE QD1 . 16045 1 294 . 1 1 29 29 ILE HD12 H 1 0.667 0.002 . 1 . . . . 1797 ILE QD1 . 16045 1 295 . 1 1 29 29 ILE HD13 H 1 0.667 0.002 . 1 . . . . 1797 ILE QD1 . 16045 1 296 . 1 1 29 29 ILE HG12 H 1 1.834 0.003 . 2 . . . . 1797 ILE HG12 . 16045 1 297 . 1 1 29 29 ILE HG13 H 1 1.214 0.003 . 2 . . . . 1797 ILE HG13 . 16045 1 298 . 1 1 29 29 ILE HG21 H 1 0.778 0.001 . 1 . . . . 1797 ILE QG2 . 16045 1 299 . 1 1 29 29 ILE HG22 H 1 0.778 0.001 . 1 . . . . 1797 ILE QG2 . 16045 1 300 . 1 1 29 29 ILE HG23 H 1 0.778 0.001 . 1 . . . . 1797 ILE QG2 . 16045 1 301 . 1 1 29 29 ILE C C 13 176.592 0.3 . 1 . . . . 1797 ILE C . 16045 1 302 . 1 1 29 29 ILE CA C 13 59.872 0.064 . 1 . . . . 1797 ILE CA . 16045 1 303 . 1 1 29 29 ILE CB C 13 32.543 0.103 . 1 . . . . 1797 ILE CB . 16045 1 304 . 1 1 29 29 ILE CD1 C 13 6.72 0.062 . 1 . . . . 1797 ILE CD1 . 16045 1 305 . 1 1 29 29 ILE CG1 C 13 25.43 0.124 . 1 . . . . 1797 ILE CG1 . 16045 1 306 . 1 1 29 29 ILE CG2 C 13 16.016 0.04 . 1 . . . . 1797 ILE CG2 . 16045 1 307 . 1 1 29 29 ILE N N 15 119.554 0.083 . 1 . . . . 1797 ILE N . 16045 1 308 . 1 1 30 30 TRP H H 1 9.143 0.002 . 1 . . . . 1798 TRP H . 16045 1 309 . 1 1 30 30 TRP HA H 1 3.638 0.004 . 1 . . . . 1798 TRP HA . 16045 1 310 . 1 1 30 30 TRP HB2 H 1 3.336 0.005 . 2 . . . . 1798 TRP HB2 . 16045 1 311 . 1 1 30 30 TRP HB3 H 1 2.975 0.004 . 2 . . . . 1798 TRP HB3 . 16045 1 312 . 1 1 30 30 TRP HD1 H 1 7.051 0.02 . 1 . . . . 1798 TRP HD1 . 16045 1 313 . 1 1 30 30 TRP HE1 H 1 11.291 0.02 . 1 . . . . 1798 TRP HE1 . 16045 1 314 . 1 1 30 30 TRP HE3 H 1 6.582 0.02 . 1 . . . . 1798 TRP HE3 . 16045 1 315 . 1 1 30 30 TRP HH2 H 1 6.562 0.02 . 1 . . . . 1798 TRP HH2 . 16045 1 316 . 1 1 30 30 TRP HZ2 H 1 6.483 0.02 . 1 . . . . 1798 TRP HZ2 . 16045 1 317 . 1 1 30 30 TRP HZ3 H 1 5.956 0.02 . 1 . . . . 1798 TRP HZ3 . 16045 1 318 . 1 1 30 30 TRP C C 13 175.614 0.3 . 1 . . . . 1798 TRP C . 16045 1 319 . 1 1 30 30 TRP CA C 13 59.901 0.057 . 1 . . . . 1798 TRP CA . 16045 1 320 . 1 1 30 30 TRP CB C 13 25.971 0.065 . 1 . . . . 1798 TRP CB . 16045 1 321 . 1 1 30 30 TRP N N 15 122.286 0.054 . 1 . . . . 1798 TRP N . 16045 1 322 . 1 1 31 31 GLU H H 1 7.801 0.004 . 1 . . . . 1799 GLU H . 16045 1 323 . 1 1 31 31 GLU HA H 1 3.834 0.004 . 1 . . . . 1799 GLU HA . 16045 1 324 . 1 1 31 31 GLU HB2 H 1 2.141 0.002 . 2 . . . . 1799 GLU HB2 . 16045 1 325 . 1 1 31 31 GLU HB3 H 1 2.053 0.001 . 2 . . . . 1799 GLU HB3 . 16045 1 326 . 1 1 31 31 GLU HG2 H 1 2.507 0.007 . 2 . . . . 1799 GLU HG2 . 16045 1 327 . 1 1 31 31 GLU HG3 H 1 2.326 0.007 . 2 . . . . 1799 GLU HG3 . 16045 1 328 . 1 1 31 31 GLU C C 13 176.071 0.3 . 1 . . . . 1799 GLU C . 16045 1 329 . 1 1 31 31 GLU CA C 13 56.902 0.086 . 1 . . . . 1799 GLU CA . 16045 1 330 . 1 1 31 31 GLU CB C 13 27.282 0.102 . 1 . . . . 1799 GLU CB . 16045 1 331 . 1 1 31 31 GLU CG C 13 34.089 0.053 . 1 . . . . 1799 GLU CG . 16045 1 332 . 1 1 31 31 GLU N N 15 114.994 0.019 . 1 . . . . 1799 GLU N . 16045 1 333 . 1 1 32 32 LYS H H 1 7.356 0.004 . 1 . . . . 1800 LYS H . 16045 1 334 . 1 1 32 32 LYS HA H 1 3.851 0.008 . 1 . . . . 1800 LYS HA . 16045 1 335 . 1 1 32 32 LYS HB2 H 1 1.976 0.003 . 2 . . . . 1800 LYS HB2 . 16045 1 336 . 1 1 32 32 LYS HB3 H 1 1.679 0.008 . 2 . . . . 1800 LYS HB3 . 16045 1 337 . 1 1 32 32 LYS HD2 H 1 1.537 0.003 . 2 . . . . 1800 LYS QD . 16045 1 338 . 1 1 32 32 LYS HD3 H 1 1.537 0.003 . 2 . . . . 1800 LYS QD . 16045 1 339 . 1 1 32 32 LYS HE2 H 1 2.823 0.007 . 2 . . . . 1800 LYS QE . 16045 1 340 . 1 1 32 32 LYS HE3 H 1 2.823 0.007 . 2 . . . . 1800 LYS QE . 16045 1 341 . 1 1 32 32 LYS HG2 H 1 1.536 0.002 . 2 . . . . 1800 LYS HG2 . 16045 1 342 . 1 1 32 32 LYS HG3 H 1 1.233 0.004 . 2 . . . . 1800 LYS HG3 . 16045 1 343 . 1 1 32 32 LYS C C 13 175.838 0.3 . 1 . . . . 1800 LYS C . 16045 1 344 . 1 1 32 32 LYS CA C 13 56.193 0.05 . 1 . . . . 1800 LYS CA . 16045 1 345 . 1 1 32 32 LYS CB C 13 29.473 0.07 . 1 . . . . 1800 LYS CB . 16045 1 346 . 1 1 32 32 LYS CD C 13 26.787 0.078 . 1 . . . . 1800 LYS CD . 16045 1 347 . 1 1 32 32 LYS CE C 13 39.616 0.049 . 1 . . . . 1800 LYS CE . 16045 1 348 . 1 1 32 32 LYS CG C 13 22.633 0.09 . 1 . . . . 1800 LYS CG . 16045 1 349 . 1 1 32 32 LYS N N 15 115.761 0.024 . 1 . . . . 1800 LYS N . 16045 1 350 . 1 1 33 33 PHE H H 1 7.37 0.004 . 1 . . . . 1801 PHE H . 16045 1 351 . 1 1 33 33 PHE HA H 1 4.019 0.006 . 1 . . . . 1801 PHE HA . 16045 1 352 . 1 1 33 33 PHE HB2 H 1 2.651 0.003 . 2 . . . . 1801 PHE HB2 . 16045 1 353 . 1 1 33 33 PHE HB3 H 1 2.175 0.004 . 2 . . . . 1801 PHE HB3 . 16045 1 354 . 1 1 33 33 PHE HD1 H 1 7.436 0.02 . 3 . . . . 1801 PHE QD . 16045 1 355 . 1 1 33 33 PHE HD2 H 1 7.436 0.02 . 3 . . . . 1801 PHE QD . 16045 1 356 . 1 1 33 33 PHE HE1 H 1 7.194 0.02 . 3 . . . . 1801 PHE QE . 16045 1 357 . 1 1 33 33 PHE HE2 H 1 7.194 0.02 . 3 . . . . 1801 PHE QE . 16045 1 358 . 1 1 33 33 PHE HZ H 1 6.971 0.02 . 1 . . . . 1801 PHE HZ . 16045 1 359 . 1 1 33 33 PHE C C 13 171.983 0.3 . 1 . . . . 1801 PHE C . 16045 1 360 . 1 1 33 33 PHE CA C 13 56.768 0.044 . 1 . . . . 1801 PHE CA . 16045 1 361 . 1 1 33 33 PHE CB C 13 37.67 0.053 . 1 . . . . 1801 PHE CB . 16045 1 362 . 1 1 33 33 PHE N N 15 115.92 0.109 . 1 . . . . 1801 PHE N . 16045 1 363 . 1 1 34 34 ASP H H 1 7.69 0.004 . 1 . . . . 1802 ASP H . 16045 1 364 . 1 1 34 34 ASP HA H 1 5.025 0.004 . 1 . . . . 1802 ASP HA . 16045 1 365 . 1 1 34 34 ASP HB2 H 1 2.061 0.005 . 2 . . . . 1802 ASP HB2 . 16045 1 366 . 1 1 34 34 ASP HB3 H 1 1.582 0.006 . 2 . . . . 1802 ASP HB3 . 16045 1 367 . 1 1 34 34 ASP CA C 13 49.284 0.065 . 1 . . . . 1802 ASP CA . 16045 1 368 . 1 1 34 34 ASP CB C 13 37.092 0.043 . 1 . . . . 1802 ASP CB . 16045 1 369 . 1 1 34 34 ASP N N 15 119.339 0.06 . 1 . . . . 1802 ASP N . 16045 1 370 . 1 1 35 35 PRO HA H 1 4.48 0.003 . 1 . . . . 1803 PRO HA . 16045 1 371 . 1 1 35 35 PRO HB2 H 1 2.264 0.002 . 2 . . . . 1803 PRO HB2 . 16045 1 372 . 1 1 35 35 PRO HB3 H 1 1.93 0.002 . 2 . . . . 1803 PRO HB3 . 16045 1 373 . 1 1 35 35 PRO HD2 H 1 3.053 0.006 . 2 . . . . 1803 PRO HD2 . 16045 1 374 . 1 1 35 35 PRO HD3 H 1 3.657 0.005 . 2 . . . . 1803 PRO HD3 . 16045 1 375 . 1 1 35 35 PRO HG2 H 1 1.897 0.004 . 2 . . . . 1803 PRO QG . 16045 1 376 . 1 1 35 35 PRO HG3 H 1 1.897 0.004 . 2 . . . . 1803 PRO QG . 16045 1 377 . 1 1 35 35 PRO C C 13 176.463 0.3 . 1 . . . . 1803 PRO C . 16045 1 378 . 1 1 35 35 PRO CA C 13 62.808 0.063 . 1 . . . . 1803 PRO CA . 16045 1 379 . 1 1 35 35 PRO CB C 13 29.539 0.043 . 1 . . . . 1803 PRO CB . 16045 1 380 . 1 1 35 35 PRO CD C 13 48.247 0.033 . 1 . . . . 1803 PRO CD . 16045 1 381 . 1 1 35 35 PRO CG C 13 24.973 0.078 . 1 . . . . 1803 PRO CG . 16045 1 382 . 1 1 36 36 GLU H H 1 8.878 0.003 . 1 . . . . 1804 GLU H . 16045 1 383 . 1 1 36 36 GLU HA H 1 4.329 0.003 . 1 . . . . 1804 GLU HA . 16045 1 384 . 1 1 36 36 GLU HB2 H 1 2.229 0.013 . 2 . . . . 1804 GLU HB2 . 16045 1 385 . 1 1 36 36 GLU HB3 H 1 1.898 0.007 . 2 . . . . 1804 GLU HB3 . 16045 1 386 . 1 1 36 36 GLU HG2 H 1 2.1 0.02 . 2 . . . . 1804 GLU HG2 . 16045 1 387 . 1 1 36 36 GLU HG3 H 1 2.205 0.02 . 2 . . . . 1804 GLU HG3 . 16045 1 388 . 1 1 36 36 GLU C C 13 173.435 0.3 . 1 . . . . 1804 GLU C . 16045 1 389 . 1 1 36 36 GLU CA C 13 53.482 0.077 . 1 . . . . 1804 GLU CA . 16045 1 390 . 1 1 36 36 GLU CB C 13 26.223 0.142 . 1 . . . . 1804 GLU CB . 16045 1 391 . 1 1 36 36 GLU CG C 13 34.25 0.3 . 1 . . . . 1804 GLU CG . 16045 1 392 . 1 1 36 36 GLU N N 15 116.378 0.005 . 1 . . . . 1804 GLU N . 16045 1 393 . 1 1 37 37 ALA H H 1 8.25 0.004 . 1 . . . . 1805 ALA H . 16045 1 394 . 1 1 37 37 ALA HA H 1 4.226 0.003 . 1 . . . . 1805 ALA HA . 16045 1 395 . 1 1 37 37 ALA HB1 H 1 1.374 0.005 . 1 . . . . 1805 ALA QB . 16045 1 396 . 1 1 37 37 ALA HB2 H 1 1.374 0.005 . 1 . . . . 1805 ALA QB . 16045 1 397 . 1 1 37 37 ALA HB3 H 1 1.374 0.005 . 1 . . . . 1805 ALA QB . 16045 1 398 . 1 1 37 37 ALA C C 13 175.322 0.3 . 1 . . . . 1805 ALA C . 16045 1 399 . 1 1 37 37 ALA CA C 13 51.106 0.075 . 1 . . . . 1805 ALA CA . 16045 1 400 . 1 1 37 37 ALA CB C 13 13.642 0.048 . 1 . . . . 1805 ALA CB . 16045 1 401 . 1 1 37 37 ALA N N 15 122.061 0.023 . 1 . . . . 1805 ALA N . 16045 1 402 . 1 1 38 38 THR H H 1 9.717 0.004 . 1 . . . . 1806 THR H . 16045 1 403 . 1 1 38 38 THR HA H 1 4.188 0.01 . 1 . . . . 1806 THR HA . 16045 1 404 . 1 1 38 38 THR HB H 1 4.395 0.008 . 1 . . . . 1806 THR HB . 16045 1 405 . 1 1 38 38 THR HG21 H 1 1.296 0.006 . 1 . . . . 1806 THR QG2 . 16045 1 406 . 1 1 38 38 THR HG22 H 1 1.296 0.006 . 1 . . . . 1806 THR QG2 . 16045 1 407 . 1 1 38 38 THR HG23 H 1 1.296 0.006 . 1 . . . . 1806 THR QG2 . 16045 1 408 . 1 1 38 38 THR C C 13 174.791 0.3 . 1 . . . . 1806 THR C . 16045 1 409 . 1 1 38 38 THR CA C 13 62.105 0.062 . 1 . . . . 1806 THR CA . 16045 1 410 . 1 1 38 38 THR CB C 13 68.802 0.057 . 1 . . . . 1806 THR CB . 16045 1 411 . 1 1 38 38 THR CG2 C 13 19.822 0.032 . 1 . . . . 1806 THR CG2 . 16045 1 412 . 1 1 38 38 THR N N 15 113.935 0.056 . 1 . . . . 1806 THR N . 16045 1 413 . 1 1 39 39 GLN H H 1 10.487 0.004 . 1 . . . . 1807 GLN H . 16045 1 414 . 1 1 39 39 GLN HA H 1 3.524 0.005 . 1 . . . . 1807 GLN HA . 16045 1 415 . 1 1 39 39 GLN HB2 H 1 2.284 0.014 . 2 . . . . 1807 GLN HB2 . 16045 1 416 . 1 1 39 39 GLN HB3 H 1 1.76 0.004 . 2 . . . . 1807 GLN HB3 . 16045 1 417 . 1 1 39 39 GLN HE21 H 1 6.733 0.02 . 2 . . . . 1807 GLN HE21 . 16045 1 418 . 1 1 39 39 GLN HE22 H 1 7.245 0.02 . 2 . . . . 1807 GLN HE22 . 16045 1 419 . 1 1 39 39 GLN HG2 H 1 2.223 0.011 . 2 . . . . 1807 GLN HG2 . 16045 1 420 . 1 1 39 39 GLN HG3 H 1 2.048 0.004 . 2 . . . . 1807 GLN HG3 . 16045 1 421 . 1 1 39 39 GLN C C 13 170.623 0.3 . 1 . . . . 1807 GLN C . 16045 1 422 . 1 1 39 39 GLN CA C 13 56.404 0.044 . 1 . . . . 1807 GLN CA . 16045 1 423 . 1 1 39 39 GLN CB C 13 24.219 0.073 . 1 . . . . 1807 GLN CB . 16045 1 424 . 1 1 39 39 GLN CG C 13 31.98 0.08 . 1 . . . . 1807 GLN CG . 16045 1 425 . 1 1 39 39 GLN N N 15 113.483 0.035 . 1 . . . . 1807 GLN N . 16045 1 426 . 1 1 39 39 GLN NE2 N 15 111.004 0.003 . 1 . . . . 1807 GLN NE2 . 16045 1 427 . 1 1 40 40 PHE H H 1 8.405 0.002 . 1 . . . . 1808 PHE H . 16045 1 428 . 1 1 40 40 PHE HA H 1 5.536 0.005 . 1 . . . . 1808 PHE HA . 16045 1 429 . 1 1 40 40 PHE HB2 H 1 2.721 0.002 . 2 . . . . 1808 PHE HB2 . 16045 1 430 . 1 1 40 40 PHE HB3 H 1 2.677 0.002 . 2 . . . . 1808 PHE HB3 . 16045 1 431 . 1 1 40 40 PHE HD1 H 1 6.969 0.02 . 3 . . . . 1808 PHE QD . 16045 1 432 . 1 1 40 40 PHE HD2 H 1 6.969 0.02 . 3 . . . . 1808 PHE QD . 16045 1 433 . 1 1 40 40 PHE HE1 H 1 7.35 0.02 . 3 . . . . 1808 PHE QE . 16045 1 434 . 1 1 40 40 PHE HE2 H 1 7.35 0.02 . 3 . . . . 1808 PHE QE . 16045 1 435 . 1 1 40 40 PHE HZ H 1 7.203 0.02 . 1 . . . . 1808 PHE HZ . 16045 1 436 . 1 1 40 40 PHE C C 13 172.617 0.3 . 1 . . . . 1808 PHE C . 16045 1 437 . 1 1 40 40 PHE CA C 13 54.489 0.058 . 1 . . . . 1808 PHE CA . 16045 1 438 . 1 1 40 40 PHE CB C 13 41.831 0.06 . 1 . . . . 1808 PHE CB . 16045 1 439 . 1 1 40 40 PHE N N 15 117.003 0.061 . 1 . . . . 1808 PHE N . 16045 1 440 . 1 1 41 41 ILE H H 1 8.433 0.004 . 1 . . . . 1809 ILE H . 16045 1 441 . 1 1 41 41 ILE HA H 1 4.443 0.004 . 1 . . . . 1809 ILE HA . 16045 1 442 . 1 1 41 41 ILE HB H 1 1.356 0.003 . 1 . . . . 1809 ILE HB . 16045 1 443 . 1 1 41 41 ILE HD11 H 1 -0.096 0.002 . 1 . . . . 1809 ILE QD1 . 16045 1 444 . 1 1 41 41 ILE HD12 H 1 -0.096 0.002 . 1 . . . . 1809 ILE QD1 . 16045 1 445 . 1 1 41 41 ILE HD13 H 1 -0.096 0.002 . 1 . . . . 1809 ILE QD1 . 16045 1 446 . 1 1 41 41 ILE HG12 H 1 1.026 0.018 . 2 . . . . 1809 ILE HG12 . 16045 1 447 . 1 1 41 41 ILE HG13 H 1 0.841 0.005 . 2 . . . . 1809 ILE HG13 . 16045 1 448 . 1 1 41 41 ILE HG21 H 1 0.13 0.001 . 1 . . . . 1809 ILE QG2 . 16045 1 449 . 1 1 41 41 ILE HG22 H 1 0.13 0.001 . 1 . . . . 1809 ILE QG2 . 16045 1 450 . 1 1 41 41 ILE HG23 H 1 0.13 0.001 . 1 . . . . 1809 ILE QG2 . 16045 1 451 . 1 1 41 41 ILE C C 13 172.378 0.3 . 1 . . . . 1809 ILE C . 16045 1 452 . 1 1 41 41 ILE CA C 13 56.964 0.054 . 1 . . . . 1809 ILE CA . 16045 1 453 . 1 1 41 41 ILE CB C 13 39.507 0.039 . 1 . . . . 1809 ILE CB . 16045 1 454 . 1 1 41 41 ILE CD1 C 13 11.037 0.037 . 1 . . . . 1809 ILE CD1 . 16045 1 455 . 1 1 41 41 ILE CG1 C 13 23.104 0.031 . 1 . . . . 1809 ILE CG1 . 16045 1 456 . 1 1 41 41 ILE CG2 C 13 14.06 0.06 . 1 . . . . 1809 ILE CG2 . 16045 1 457 . 1 1 41 41 ILE N N 15 112.47 0.044 . 1 . . . . 1809 ILE N . 16045 1 458 . 1 1 42 42 GLU H H 1 8.299 0.003 . 1 . . . . 1810 GLU H . 16045 1 459 . 1 1 42 42 GLU HA H 1 4.56 0.003 . 1 . . . . 1810 GLU HA . 16045 1 460 . 1 1 42 42 GLU HB2 H 1 2.264 0.005 . 2 . . . . 1810 GLU HB2 . 16045 1 461 . 1 1 42 42 GLU HB3 H 1 1.925 0.002 . 2 . . . . 1810 GLU HB3 . 16045 1 462 . 1 1 42 42 GLU HG2 H 1 2.328 0.001 . 2 . . . . 1810 GLU HG2 . 16045 1 463 . 1 1 42 42 GLU HG3 H 1 2.274 0.002 . 2 . . . . 1810 GLU HG3 . 16045 1 464 . 1 1 42 42 GLU C C 13 175.586 0.3 . 1 . . . . 1810 GLU C . 16045 1 465 . 1 1 42 42 GLU CA C 13 54.152 0.057 . 1 . . . . 1810 GLU CA . 16045 1 466 . 1 1 42 42 GLU CB C 13 28.554 0.076 . 1 . . . . 1810 GLU CB . 16045 1 467 . 1 1 42 42 GLU CG C 13 35.194 0.032 . 1 . . . . 1810 GLU CG . 16045 1 468 . 1 1 42 42 GLU N N 15 121.928 0.04 . 1 . . . . 1810 GLU N . 16045 1 469 . 1 1 43 43 TYR H H 1 9.047 0.002 . 1 . . . . 1811 TYR H . 16045 1 470 . 1 1 43 43 TYR HA H 1 3.901 0.008 . 1 . . . . 1811 TYR HA . 16045 1 471 . 1 1 43 43 TYR HB2 H 1 3.188 0.008 . 2 . . . . 1811 TYR HB2 . 16045 1 472 . 1 1 43 43 TYR HB3 H 1 3.055 0.006 . 2 . . . . 1811 TYR HB3 . 16045 1 473 . 1 1 43 43 TYR HD1 H 1 6.992 0.02 . 3 . . . . 1811 TYR QD . 16045 1 474 . 1 1 43 43 TYR HD2 H 1 6.992 0.02 . 3 . . . . 1811 TYR QD . 16045 1 475 . 1 1 43 43 TYR HE1 H 1 6.665 0.02 . 3 . . . . 1811 TYR QE . 16045 1 476 . 1 1 43 43 TYR HE2 H 1 6.665 0.02 . 3 . . . . 1811 TYR QE . 16045 1 477 . 1 1 43 43 TYR C C 13 175.669 0.3 . 1 . . . . 1811 TYR C . 16045 1 478 . 1 1 43 43 TYR CA C 13 59.493 0.041 . 1 . . . . 1811 TYR CA . 16045 1 479 . 1 1 43 43 TYR CB C 13 36.151 0.084 . 1 . . . . 1811 TYR CB . 16045 1 480 . 1 1 43 43 TYR N N 15 123.217 0.047 . 1 . . . . 1811 TYR N . 16045 1 481 . 1 1 44 44 SER H H 1 8.578 0.003 . 1 . . . . 1812 SER H . 16045 1 482 . 1 1 44 44 SER HA H 1 4.031 0.009 . 1 . . . . 1812 SER HA . 16045 1 483 . 1 1 44 44 SER HB2 H 1 3.952 0.009 . 2 . . . . 1812 SER QB . 16045 1 484 . 1 1 44 44 SER HB3 H 1 3.952 0.009 . 2 . . . . 1812 SER QB . 16045 1 485 . 1 1 44 44 SER C C 13 173.491 0.3 . 1 . . . . 1812 SER C . 16045 1 486 . 1 1 44 44 SER CA C 13 58.641 0.037 . 1 . . . . 1812 SER CA . 16045 1 487 . 1 1 44 44 SER CB C 13 60.323 0.142 . 1 . . . . 1812 SER CB . 16045 1 488 . 1 1 44 44 SER N N 15 110.989 0.034 . 1 . . . . 1812 SER N . 16045 1 489 . 1 1 45 45 VAL H H 1 7.468 0.003 . 1 . . . . 1813 VAL H . 16045 1 490 . 1 1 45 45 VAL HA H 1 4.61 0.007 . 1 . . . . 1813 VAL HA . 16045 1 491 . 1 1 45 45 VAL HB H 1 2.54 0.005 . 1 . . . . 1813 VAL HB . 16045 1 492 . 1 1 45 45 VAL HG11 H 1 1.072 0.007 . 2 . . . . 1813 VAL QG1 . 16045 1 493 . 1 1 45 45 VAL HG12 H 1 1.072 0.007 . 2 . . . . 1813 VAL QG1 . 16045 1 494 . 1 1 45 45 VAL HG13 H 1 1.072 0.007 . 2 . . . . 1813 VAL QG1 . 16045 1 495 . 1 1 45 45 VAL HG21 H 1 1.072 0.006 . 2 . . . . 1813 VAL QG2 . 16045 1 496 . 1 1 45 45 VAL HG22 H 1 1.072 0.006 . 2 . . . . 1813 VAL QG2 . 16045 1 497 . 1 1 45 45 VAL HG23 H 1 1.072 0.006 . 2 . . . . 1813 VAL QG2 . 16045 1 498 . 1 1 45 45 VAL C C 13 173.685 0.3 . 1 . . . . 1813 VAL C . 16045 1 499 . 1 1 45 45 VAL CA C 13 59.102 0.043 . 1 . . . . 1813 VAL CA . 16045 1 500 . 1 1 45 45 VAL CB C 13 30.117 0.082 . 1 . . . . 1813 VAL CB . 16045 1 501 . 1 1 45 45 VAL CG1 C 13 19.018 0.049 . 2 . . . . 1813 VAL CG1 . 16045 1 502 . 1 1 45 45 VAL CG2 C 13 19.049 0.027 . 2 . . . . 1813 VAL CG2 . 16045 1 503 . 1 1 45 45 VAL N N 15 116.71 0.037 . 1 . . . . 1813 VAL N . 16045 1 504 . 1 1 46 46 LEU H H 1 7.66 0.003 . 1 . . . . 1814 LEU H . 16045 1 505 . 1 1 46 46 LEU HA H 1 3.821 0.005 . 1 . . . . 1814 LEU HA . 16045 1 506 . 1 1 46 46 LEU HB2 H 1 1.711 0.008 . 2 . . . . 1814 LEU HB2 . 16045 1 507 . 1 1 46 46 LEU HB3 H 1 1.267 0.006 . 2 . . . . 1814 LEU HB3 . 16045 1 508 . 1 1 46 46 LEU HD11 H 1 0.959 0.003 . 1 . . . . 1814 LEU QD1 . 16045 1 509 . 1 1 46 46 LEU HD12 H 1 0.959 0.003 . 1 . . . . 1814 LEU QD1 . 16045 1 510 . 1 1 46 46 LEU HD13 H 1 0.959 0.003 . 1 . . . . 1814 LEU QD1 . 16045 1 511 . 1 1 46 46 LEU HD21 H 1 0.849 0.002 . 1 . . . . 1814 LEU QD2 . 16045 1 512 . 1 1 46 46 LEU HD22 H 1 0.849 0.002 . 1 . . . . 1814 LEU QD2 . 16045 1 513 . 1 1 46 46 LEU HD23 H 1 0.849 0.002 . 1 . . . . 1814 LEU QD2 . 16045 1 514 . 1 1 46 46 LEU HG H 1 1.716 0.001 . 1 . . . . 1814 LEU HG . 16045 1 515 . 1 1 46 46 LEU C C 13 175.003 0.3 . 1 . . . . 1814 LEU C . 16045 1 516 . 1 1 46 46 LEU CA C 13 55.713 0.057 . 1 . . . . 1814 LEU CA . 16045 1 517 . 1 1 46 46 LEU CB C 13 39.819 0.065 . 1 . . . . 1814 LEU CB . 16045 1 518 . 1 1 46 46 LEU CD1 C 13 21.543 0.105 . 2 . . . . 1814 LEU CD1 . 16045 1 519 . 1 1 46 46 LEU CD2 C 13 24.845 0.048 . 2 . . . . 1814 LEU CD2 . 16045 1 520 . 1 1 46 46 LEU CG C 13 24.157 0.02 . 1 . . . . 1814 LEU CG . 16045 1 521 . 1 1 46 46 LEU N N 15 123.857 0.043 . 1 . . . . 1814 LEU N . 16045 1 522 . 1 1 47 47 SER H H 1 8.334 0.002 . 1 . . . . 1815 SER H . 16045 1 523 . 1 1 47 47 SER HA H 1 3.923 0.004 . 1 . . . . 1815 SER HA . 16045 1 524 . 1 1 47 47 SER HB2 H 1 3.825 0.005 . 2 . . . . 1815 SER QB . 16045 1 525 . 1 1 47 47 SER HB3 H 1 3.825 0.005 . 2 . . . . 1815 SER QB . 16045 1 526 . 1 1 47 47 SER C C 13 175.643 0.3 . 1 . . . . 1815 SER C . 16045 1 527 . 1 1 47 47 SER CA C 13 58.896 0.12 . 1 . . . . 1815 SER CA . 16045 1 528 . 1 1 47 47 SER CB C 13 60.223 0.092 . 1 . . . . 1815 SER CB . 16045 1 529 . 1 1 47 47 SER N N 15 111.449 0.013 . 1 . . . . 1815 SER N . 16045 1 530 . 1 1 48 48 ASP H H 1 7.692 0.003 . 1 . . . . 1816 ASP H . 16045 1 531 . 1 1 48 48 ASP HA H 1 4.221 0.005 . 1 . . . . 1816 ASP HA . 16045 1 532 . 1 1 48 48 ASP HB2 H 1 2.915 0.004 . 2 . . . . 1816 ASP HB2 . 16045 1 533 . 1 1 48 48 ASP HB3 H 1 2.77 0.009 . 2 . . . . 1816 ASP HB3 . 16045 1 534 . 1 1 48 48 ASP C C 13 175.894 0.3 . 1 . . . . 1816 ASP C . 16045 1 535 . 1 1 48 48 ASP CA C 13 55.099 0.05 . 1 . . . . 1816 ASP CA . 16045 1 536 . 1 1 48 48 ASP CB C 13 37.973 0.05 . 1 . . . . 1816 ASP CB . 16045 1 537 . 1 1 48 48 ASP N N 15 119.939 0.043 . 1 . . . . 1816 ASP N . 16045 1 538 . 1 1 49 49 PHE H H 1 8.068 0.003 . 1 . . . . 1817 PHE H . 16045 1 539 . 1 1 49 49 PHE HA H 1 3.037 0.005 . 1 . . . . 1817 PHE HA . 16045 1 540 . 1 1 49 49 PHE HB2 H 1 2.557 0.004 . 2 . . . . 1817 PHE HB2 . 16045 1 541 . 1 1 49 49 PHE HB3 H 1 1.742 0.004 . 2 . . . . 1817 PHE HB3 . 16045 1 542 . 1 1 49 49 PHE HD1 H 1 6.431 0.02 . 3 . . . . 1817 PHE QD . 16045 1 543 . 1 1 49 49 PHE HD2 H 1 6.431 0.02 . 3 . . . . 1817 PHE QD . 16045 1 544 . 1 1 49 49 PHE HE1 H 1 6.674 0.02 . 3 . . . . 1817 PHE QE . 16045 1 545 . 1 1 49 49 PHE HE2 H 1 6.674 0.02 . 3 . . . . 1817 PHE QE . 16045 1 546 . 1 1 49 49 PHE HZ H 1 6.253 0.02 . 1 . . . . 1817 PHE HZ . 16045 1 547 . 1 1 49 49 PHE C C 13 173.09 0.3 . 1 . . . . 1817 PHE C . 16045 1 548 . 1 1 49 49 PHE CA C 13 58.787 0.051 . 1 . . . . 1817 PHE CA . 16045 1 549 . 1 1 49 49 PHE CB C 13 36.344 0.064 . 1 . . . . 1817 PHE CB . 16045 1 550 . 1 1 49 49 PHE N N 15 122.365 0.041 . 1 . . . . 1817 PHE N . 16045 1 551 . 1 1 50 50 ALA H H 1 8.701 0.002 . 1 . . . . 1818 ALA H . 16045 1 552 . 1 1 50 50 ALA HA H 1 3.64 0.005 . 1 . . . . 1818 ALA HA . 16045 1 553 . 1 1 50 50 ALA HB1 H 1 1.463 0.005 . 1 . . . . 1818 ALA QB . 16045 1 554 . 1 1 50 50 ALA HB2 H 1 1.463 0.005 . 1 . . . . 1818 ALA QB . 16045 1 555 . 1 1 50 50 ALA HB3 H 1 1.463 0.005 . 1 . . . . 1818 ALA QB . 16045 1 556 . 1 1 50 50 ALA C C 13 176.644 0.3 . 1 . . . . 1818 ALA C . 16045 1 557 . 1 1 50 50 ALA CA C 13 52.262 0.061 . 1 . . . . 1818 ALA CA . 16045 1 558 . 1 1 50 50 ALA CB C 13 16.62 0.069 . 1 . . . . 1818 ALA CB . 16045 1 559 . 1 1 50 50 ALA N N 15 117.635 0.038 . 1 . . . . 1818 ALA N . 16045 1 560 . 1 1 51 51 ASP H H 1 7.055 0.004 . 1 . . . . 1819 ASP H . 16045 1 561 . 1 1 51 51 ASP HA H 1 4.257 0.004 . 1 . . . . 1819 ASP HA . 16045 1 562 . 1 1 51 51 ASP HB2 H 1 2.597 0.002 . 2 . . . . 1819 ASP HB2 . 16045 1 563 . 1 1 51 51 ASP HB3 H 1 2.508 0.002 . 2 . . . . 1819 ASP HB3 . 16045 1 564 . 1 1 51 51 ASP C C 13 173.475 0.3 . 1 . . . . 1819 ASP C . 16045 1 565 . 1 1 51 51 ASP CA C 13 53.788 0.062 . 1 . . . . 1819 ASP CA . 16045 1 566 . 1 1 51 51 ASP CB C 13 42.683 0.042 . 1 . . . . 1819 ASP CB . 16045 1 567 . 1 1 51 51 ASP N N 15 112.995 0.025 . 1 . . . . 1819 ASP N . 16045 1 568 . 1 1 52 52 ALA H H 1 7.351 0.004 . 1 . . . . 1820 ALA H . 16045 1 569 . 1 1 52 52 ALA HA H 1 4.104 0.008 . 1 . . . . 1820 ALA HA . 16045 1 570 . 1 1 52 52 ALA HB1 H 1 1.465 0.005 . 1 . . . . 1820 ALA QB . 16045 1 571 . 1 1 52 52 ALA HB2 H 1 1.465 0.005 . 1 . . . . 1820 ALA QB . 16045 1 572 . 1 1 52 52 ALA HB3 H 1 1.465 0.005 . 1 . . . . 1820 ALA QB . 16045 1 573 . 1 1 52 52 ALA C C 13 175.55 0.3 . 1 . . . . 1820 ALA C . 16045 1 574 . 1 1 52 52 ALA CA C 13 50.344 0.083 . 1 . . . . 1820 ALA CA . 16045 1 575 . 1 1 52 52 ALA CB C 13 17.002 0.053 . 1 . . . . 1820 ALA CB . 16045 1 576 . 1 1 52 52 ALA N N 15 119.881 0.03 . 1 . . . . 1820 ALA N . 16045 1 577 . 1 1 53 53 LEU H H 1 6.257 0.005 . 1 . . . . 1821 LEU H . 16045 1 578 . 1 1 53 53 LEU HA H 1 3.947 0.004 . 1 . . . . 1821 LEU HA . 16045 1 579 . 1 1 53 53 LEU HB2 H 1 1.269 0.004 . 2 . . . . 1821 LEU QB . 16045 1 580 . 1 1 53 53 LEU HB3 H 1 1.269 0.004 . 2 . . . . 1821 LEU QB . 16045 1 581 . 1 1 53 53 LEU HD11 H 1 0.487 0.003 . 2 . . . . 1821 LEU QD1 . 16045 1 582 . 1 1 53 53 LEU HD12 H 1 0.487 0.003 . 2 . . . . 1821 LEU QD1 . 16045 1 583 . 1 1 53 53 LEU HD13 H 1 0.487 0.003 . 2 . . . . 1821 LEU QD1 . 16045 1 584 . 1 1 53 53 LEU HD21 H 1 0.708 0.006 . 2 . . . . 1821 LEU QD2 . 16045 1 585 . 1 1 53 53 LEU HD22 H 1 0.708 0.006 . 2 . . . . 1821 LEU QD2 . 16045 1 586 . 1 1 53 53 LEU HD23 H 1 0.708 0.006 . 2 . . . . 1821 LEU QD2 . 16045 1 587 . 1 1 53 53 LEU HG H 1 1.259 0.002 . 1 . . . . 1821 LEU HG . 16045 1 588 . 1 1 53 53 LEU C C 13 175.478 0.3 . 1 . . . . 1821 LEU C . 16045 1 589 . 1 1 53 53 LEU CA C 13 52.213 0.087 . 1 . . . . 1821 LEU CA . 16045 1 590 . 1 1 53 53 LEU CB C 13 41.062 0.063 . 1 . . . . 1821 LEU CB . 16045 1 591 . 1 1 53 53 LEU CD1 C 13 21.652 0.13 . 2 . . . . 1821 LEU CD1 . 16045 1 592 . 1 1 53 53 LEU CD2 C 13 24.918 0.05 . 2 . . . . 1821 LEU CD2 . 16045 1 593 . 1 1 53 53 LEU CG C 13 24.889 0.3 . 1 . . . . 1821 LEU CG . 16045 1 594 . 1 1 53 53 LEU N N 15 115.608 0.009 . 1 . . . . 1821 LEU N . 16045 1 595 . 1 1 54 54 SER H H 1 7.953 0.004 . 1 . . . . 1822 SER H . 16045 1 596 . 1 1 54 54 SER HA H 1 4.535 0.004 . 1 . . . . 1822 SER HA . 16045 1 597 . 1 1 54 54 SER HB2 H 1 3.97 0.013 . 2 . . . . 1822 SER HB2 . 16045 1 598 . 1 1 54 54 SER HB3 H 1 3.706 0.011 . 2 . . . . 1822 SER HB3 . 16045 1 599 . 1 1 54 54 SER C C 13 174.092 0.3 . 1 . . . . 1822 SER C . 16045 1 600 . 1 1 54 54 SER CA C 13 55.239 0.06 . 1 . . . . 1822 SER CA . 16045 1 601 . 1 1 54 54 SER CB C 13 61.86 0.115 . 1 . . . . 1822 SER CB . 16045 1 602 . 1 1 54 54 SER N N 15 113.147 0.125 . 1 . . . . 1822 SER N . 16045 1 603 . 1 1 55 55 GLU H H 1 9.067 0.002 . 1 . . . . 1823 GLU H . 16045 1 604 . 1 1 55 55 GLU HA H 1 3.973 0.003 . 1 . . . . 1823 GLU HA . 16045 1 605 . 1 1 55 55 GLU HB2 H 1 1.916 0.003 . 2 . . . . 1823 GLU HB2 . 16045 1 606 . 1 1 55 55 GLU HB3 H 1 1.767 0.007 . 2 . . . . 1823 GLU HB3 . 16045 1 607 . 1 1 55 55 GLU HG2 H 1 2.321 0.002 . 2 . . . . 1823 GLU QG . 16045 1 608 . 1 1 55 55 GLU HG3 H 1 2.321 0.002 . 2 . . . . 1823 GLU QG . 16045 1 609 . 1 1 55 55 GLU CA C 13 54.801 0.031 . 1 . . . . 1823 GLU CA . 16045 1 610 . 1 1 55 55 GLU CB C 13 25.549 0.064 . 1 . . . . 1823 GLU CB . 16045 1 611 . 1 1 55 55 GLU CG C 13 33.6 0.057 . 1 . . . . 1823 GLU CG . 16045 1 612 . 1 1 55 55 GLU N N 15 124.684 0.046 . 1 . . . . 1823 GLU N . 16045 1 613 . 1 1 56 56 PRO HA H 1 4.757 0.004 . 1 . . . . 1824 PRO HA . 16045 1 614 . 1 1 56 56 PRO HB2 H 1 2.216 0.004 . 2 . . . . 1824 PRO HB2 . 16045 1 615 . 1 1 56 56 PRO HB3 H 1 2.163 0.02 . 2 . . . . 1824 PRO HB3 . 16045 1 616 . 1 1 56 56 PRO HD2 H 1 3.456 0.02 . 2 . . . . 1824 PRO QD . 16045 1 617 . 1 1 56 56 PRO HD3 H 1 3.456 0.02 . 2 . . . . 1824 PRO QD . 16045 1 618 . 1 1 56 56 PRO HG2 H 1 2.019 0.003 . 2 . . . . 1824 PRO HG2 . 16045 1 619 . 1 1 56 56 PRO HG3 H 1 1.363 0.003 . 2 . . . . 1824 PRO HG3 . 16045 1 620 . 1 1 56 56 PRO C C 13 173.11 0.3 . 1 . . . . 1824 PRO C . 16045 1 621 . 1 1 56 56 PRO CA C 13 61.168 0.008 . 1 . . . . 1824 PRO CA . 16045 1 622 . 1 1 56 56 PRO CB C 13 31.916 0.06 . 1 . . . . 1824 PRO CB . 16045 1 623 . 1 1 56 56 PRO CD C 13 47.869 0.3 . 1 . . . . 1824 PRO CD . 16045 1 624 . 1 1 56 56 PRO CG C 13 22.235 0.065 . 1 . . . . 1824 PRO CG . 16045 1 625 . 1 1 57 57 LEU H H 1 7.54 0.003 . 1 . . . . 1825 LEU H . 16045 1 626 . 1 1 57 57 LEU HA H 1 3.95 0.004 . 1 . . . . 1825 LEU HA . 16045 1 627 . 1 1 57 57 LEU HB2 H 1 1.783 0.008 . 2 . . . . 1825 LEU HB2 . 16045 1 628 . 1 1 57 57 LEU HB3 H 1 1.457 0.004 . 2 . . . . 1825 LEU HB3 . 16045 1 629 . 1 1 57 57 LEU HD11 H 1 0.752 0.004 . 2 . . . . 1825 LEU QD1 . 16045 1 630 . 1 1 57 57 LEU HD12 H 1 0.752 0.004 . 2 . . . . 1825 LEU QD1 . 16045 1 631 . 1 1 57 57 LEU HD13 H 1 0.752 0.004 . 2 . . . . 1825 LEU QD1 . 16045 1 632 . 1 1 57 57 LEU HD21 H 1 0.725 0.003 . 2 . . . . 1825 LEU QD2 . 16045 1 633 . 1 1 57 57 LEU HD22 H 1 0.725 0.003 . 2 . . . . 1825 LEU QD2 . 16045 1 634 . 1 1 57 57 LEU HD23 H 1 0.725 0.003 . 2 . . . . 1825 LEU QD2 . 16045 1 635 . 1 1 57 57 LEU HG H 1 1.422 0.02 . 1 . . . . 1825 LEU HG . 16045 1 636 . 1 1 57 57 LEU C C 13 173.114 0.3 . 1 . . . . 1825 LEU C . 16045 1 637 . 1 1 57 57 LEU CA C 13 54.569 0.028 . 1 . . . . 1825 LEU CA . 16045 1 638 . 1 1 57 57 LEU CB C 13 41.668 0.087 . 1 . . . . 1825 LEU CB . 16045 1 639 . 1 1 57 57 LEU CD1 C 13 23.429 0.134 . 2 . . . . 1825 LEU CD1 . 16045 1 640 . 1 1 57 57 LEU CD2 C 13 21.739 0.098 . 2 . . . . 1825 LEU CD2 . 16045 1 641 . 1 1 57 57 LEU CG C 13 25.379 0.3 . 1 . . . . 1825 LEU CG . 16045 1 642 . 1 1 57 57 LEU N N 15 121.977 0.035 . 1 . . . . 1825 LEU N . 16045 1 643 . 1 1 58 58 ARG H H 1 6.627 0.007 . 1 . . . . 1826 ARG H . 16045 1 644 . 1 1 58 58 ARG HA H 1 3.676 0.004 . 1 . . . . 1826 ARG HA . 16045 1 645 . 1 1 58 58 ARG HB2 H 1 1.154 0.002 . 2 . . . . 1826 ARG HB2 . 16045 1 646 . 1 1 58 58 ARG HB3 H 1 1.054 0.013 . 2 . . . . 1826 ARG HB3 . 16045 1 647 . 1 1 58 58 ARG HD2 H 1 3.042 0.001 . 2 . . . . 1826 ARG HD2 . 16045 1 648 . 1 1 58 58 ARG HD3 H 1 2.97 0.001 . 2 . . . . 1826 ARG HD3 . 16045 1 649 . 1 1 58 58 ARG HE H 1 7.05 0.02 . 1 . . . . 1826 ARG HE . 16045 1 650 . 1 1 58 58 ARG HG2 H 1 1.673 0.008 . 2 . . . . 1826 ARG QG . 16045 1 651 . 1 1 58 58 ARG HG3 H 1 1.673 0.008 . 2 . . . . 1826 ARG QG . 16045 1 652 . 1 1 58 58 ARG C C 13 173.01 0.3 . 1 . . . . 1826 ARG C . 16045 1 653 . 1 1 58 58 ARG CA C 13 54.596 0.069 . 1 . . . . 1826 ARG CA . 16045 1 654 . 1 1 58 58 ARG CB C 13 28.786 0.079 . 1 . . . . 1826 ARG CB . 16045 1 655 . 1 1 58 58 ARG CD C 13 41.18 0.03 . 1 . . . . 1826 ARG CD . 16045 1 656 . 1 1 58 58 ARG CG C 13 24.983 0.3 . 1 . . . . 1826 ARG CG . 16045 1 657 . 1 1 58 58 ARG N N 15 115.178 0.036 . 1 . . . . 1826 ARG N . 16045 1 658 . 1 1 58 58 ARG NE N 15 110.93 0.3 . 1 . . . . 1826 ARG NE . 16045 1 659 . 1 1 59 59 ILE H H 1 7.078 0.005 . 1 . . . . 1827 ILE H . 16045 1 660 . 1 1 59 59 ILE HA H 1 3.955 0.006 . 1 . . . . 1827 ILE HA . 16045 1 661 . 1 1 59 59 ILE HB H 1 1.423 0.003 . 1 . . . . 1827 ILE HB . 16045 1 662 . 1 1 59 59 ILE HD11 H 1 -0.013 0.004 . 1 . . . . 1827 ILE QD1 . 16045 1 663 . 1 1 59 59 ILE HD12 H 1 -0.013 0.004 . 1 . . . . 1827 ILE QD1 . 16045 1 664 . 1 1 59 59 ILE HD13 H 1 -0.013 0.004 . 1 . . . . 1827 ILE QD1 . 16045 1 665 . 1 1 59 59 ILE HG12 H 1 1.267 0.005 . 2 . . . . 1827 ILE HG12 . 16045 1 666 . 1 1 59 59 ILE HG13 H 1 0.38 0.005 . 2 . . . . 1827 ILE HG13 . 16045 1 667 . 1 1 59 59 ILE HG21 H 1 0.619 0.003 . 1 . . . . 1827 ILE QG2 . 16045 1 668 . 1 1 59 59 ILE HG22 H 1 0.619 0.003 . 1 . . . . 1827 ILE QG2 . 16045 1 669 . 1 1 59 59 ILE HG23 H 1 0.619 0.003 . 1 . . . . 1827 ILE QG2 . 16045 1 670 . 1 1 59 59 ILE C C 13 172.502 0.3 . 1 . . . . 1827 ILE C . 16045 1 671 . 1 1 59 59 ILE CA C 13 58.268 0.061 . 1 . . . . 1827 ILE CA . 16045 1 672 . 1 1 59 59 ILE CB C 13 34.971 0.068 . 1 . . . . 1827 ILE CB . 16045 1 673 . 1 1 59 59 ILE CD1 C 13 11.913 0.036 . 1 . . . . 1827 ILE CD1 . 16045 1 674 . 1 1 59 59 ILE CG1 C 13 23.968 0.042 . 1 . . . . 1827 ILE CG1 . 16045 1 675 . 1 1 59 59 ILE CG2 C 13 16.491 0.033 . 1 . . . . 1827 ILE CG2 . 16045 1 676 . 1 1 59 59 ILE N N 15 125.538 0.018 . 1 . . . . 1827 ILE N . 16045 1 677 . 1 1 60 60 ALA H H 1 8.404 0.002 . 1 . . . . 1828 ALA H . 16045 1 678 . 1 1 60 60 ALA HA H 1 4.367 0.006 . 1 . . . . 1828 ALA HA . 16045 1 679 . 1 1 60 60 ALA HB1 H 1 1.15 0.008 . 1 . . . . 1828 ALA QB . 16045 1 680 . 1 1 60 60 ALA HB2 H 1 1.15 0.008 . 1 . . . . 1828 ALA QB . 16045 1 681 . 1 1 60 60 ALA HB3 H 1 1.15 0.008 . 1 . . . . 1828 ALA QB . 16045 1 682 . 1 1 60 60 ALA C C 13 176.246 0.3 . 1 . . . . 1828 ALA C . 16045 1 683 . 1 1 60 60 ALA CA C 13 50.068 0.086 . 1 . . . . 1828 ALA CA . 16045 1 684 . 1 1 60 60 ALA CB C 13 16.058 0.002 . 1 . . . . 1828 ALA CB . 16045 1 685 . 1 1 60 60 ALA N N 15 128.846 0.053 . 1 . . . . 1828 ALA N . 16045 1 686 . 1 1 61 61 LYS H H 1 8.326 0.002 . 1 . . . . 1829 LYS H . 16045 1 687 . 1 1 61 61 LYS HA H 1 3.875 0.002 . 1 . . . . 1829 LYS HA . 16045 1 688 . 1 1 61 61 LYS HB2 H 1 1.729 0.008 . 2 . . . . 1829 LYS HB2 . 16045 1 689 . 1 1 61 61 LYS HB3 H 1 1.404 0.006 . 2 . . . . 1829 LYS HB3 . 16045 1 690 . 1 1 61 61 LYS HE2 H 1 2.833 0.02 . 2 . . . . 1829 LYS QE . 16045 1 691 . 1 1 61 61 LYS HE3 H 1 2.833 0.02 . 2 . . . . 1829 LYS QE . 16045 1 692 . 1 1 61 61 LYS HG2 H 1 1.269 0.02 . 2 . . . . 1829 LYS QG . 16045 1 693 . 1 1 61 61 LYS HG3 H 1 1.269 0.02 . 2 . . . . 1829 LYS QG . 16045 1 694 . 1 1 61 61 LYS CA C 13 53.827 0.046 . 1 . . . . 1829 LYS CA . 16045 1 695 . 1 1 61 61 LYS CB C 13 29.803 0.027 . 1 . . . . 1829 LYS CB . 16045 1 696 . 1 1 61 61 LYS N N 15 119.464 0.02 . 1 . . . . 1829 LYS N . 16045 1 697 . 1 1 62 62 PRO HA H 1 4.449 0.01 . 1 . . . . 1830 PRO HA . 16045 1 698 . 1 1 62 62 PRO HB2 H 1 2.31 0.007 . 2 . . . . 1830 PRO HB2 . 16045 1 699 . 1 1 62 62 PRO HB3 H 1 2.182 0.005 . 2 . . . . 1830 PRO HB3 . 16045 1 700 . 1 1 62 62 PRO HD2 H 1 3.477 0.004 . 2 . . . . 1830 PRO QD . 16045 1 701 . 1 1 62 62 PRO HD3 H 1 3.477 0.004 . 2 . . . . 1830 PRO QD . 16045 1 702 . 1 1 62 62 PRO HG2 H 1 1.86 0.005 . 2 . . . . 1830 PRO HG2 . 16045 1 703 . 1 1 62 62 PRO HG3 H 1 2.063 0.005 . 2 . . . . 1830 PRO HG3 . 16045 1 704 . 1 1 62 62 PRO C C 13 173.394 0.3 . 1 . . . . 1830 PRO C . 16045 1 705 . 1 1 62 62 PRO CA C 13 60.475 0.106 . 1 . . . . 1830 PRO CA . 16045 1 706 . 1 1 62 62 PRO CB C 13 31.292 0.058 . 1 . . . . 1830 PRO CB . 16045 1 707 . 1 1 62 62 PRO CD C 13 48.094 0.02 . 1 . . . . 1830 PRO CD . 16045 1 708 . 1 1 62 62 PRO CG C 13 22.565 0.019 . 1 . . . . 1830 PRO CG . 16045 1 709 . 1 1 63 63 ASN H H 1 8.071 0.004 . 1 . . . . 1831 ASN H . 16045 1 710 . 1 1 63 63 ASN HA H 1 4.912 0.008 . 1 . . . . 1831 ASN HA . 16045 1 711 . 1 1 63 63 ASN HB2 H 1 2.599 0.007 . 2 . . . . 1831 ASN HB2 . 16045 1 712 . 1 1 63 63 ASN HB3 H 1 2.733 0.009 . 2 . . . . 1831 ASN HB3 . 16045 1 713 . 1 1 63 63 ASN HD21 H 1 7.504 0.02 . 2 . . . . 1831 ASN HD21 . 16045 1 714 . 1 1 63 63 ASN HD22 H 1 7.974 0.02 . 2 . . . . 1831 ASN HD22 . 16045 1 715 . 1 1 63 63 ASN C C 13 173.983 0.3 . 1 . . . . 1831 ASN C . 16045 1 716 . 1 1 63 63 ASN CA C 13 49.206 0.063 . 1 . . . . 1831 ASN CA . 16045 1 717 . 1 1 63 63 ASN CB C 13 37.128 0.049 . 1 . . . . 1831 ASN CB . 16045 1 718 . 1 1 63 63 ASN N N 15 120.583 0.036 . 1 . . . . 1831 ASN N . 16045 1 719 . 1 1 63 63 ASN ND2 N 15 110.333 0.002 . 1 . . . . 1831 ASN ND2 . 16045 1 720 . 1 1 64 64 GLN H H 1 8.166 0.002 . 1 . . . . 1832 GLN H . 16045 1 721 . 1 1 64 64 GLN HA H 1 3.804 0.007 . 1 . . . . 1832 GLN HA . 16045 1 722 . 1 1 64 64 GLN HB2 H 1 2.14 0.003 . 2 . . . . 1832 GLN HB2 . 16045 1 723 . 1 1 64 64 GLN HB3 H 1 2.031 0.003 . 2 . . . . 1832 GLN HB3 . 16045 1 724 . 1 1 64 64 GLN HE21 H 1 6.845 0.02 . 2 . . . . 1832 GLN HE21 . 16045 1 725 . 1 1 64 64 GLN HE22 H 1 7.355 0.02 . 2 . . . . 1832 GLN HE22 . 16045 1 726 . 1 1 64 64 GLN HG2 H 1 2.42 0.004 . 2 . . . . 1832 GLN QG . 16045 1 727 . 1 1 64 64 GLN HG3 H 1 2.42 0.004 . 2 . . . . 1832 GLN QG . 16045 1 728 . 1 1 64 64 GLN C C 13 176.104 0.3 . 1 . . . . 1832 GLN C . 16045 1 729 . 1 1 64 64 GLN CA C 13 58.261 0.036 . 1 . . . . 1832 GLN CA . 16045 1 730 . 1 1 64 64 GLN CB C 13 26.167 0.112 . 1 . . . . 1832 GLN CB . 16045 1 731 . 1 1 64 64 GLN CG C 13 31.714 0.031 . 1 . . . . 1832 GLN CG . 16045 1 732 . 1 1 64 64 GLN N N 15 120.553 0.028 . 1 . . . . 1832 GLN N . 16045 1 733 . 1 1 64 64 GLN NE2 N 15 111.47 0.3 . 1 . . . . 1832 GLN NE2 . 16045 1 734 . 1 1 65 65 ILE H H 1 8.233 0.003 . 1 . . . . 1833 ILE H . 16045 1 735 . 1 1 65 65 ILE HA H 1 3.731 0.006 . 1 . . . . 1833 ILE HA . 16045 1 736 . 1 1 65 65 ILE HB H 1 1.816 0.006 . 1 . . . . 1833 ILE HB . 16045 1 737 . 1 1 65 65 ILE HD11 H 1 0.773 0.011 . 1 . . . . 1833 ILE QD1 . 16045 1 738 . 1 1 65 65 ILE HD12 H 1 0.773 0.011 . 1 . . . . 1833 ILE QD1 . 16045 1 739 . 1 1 65 65 ILE HD13 H 1 0.773 0.011 . 1 . . . . 1833 ILE QD1 . 16045 1 740 . 1 1 65 65 ILE HG12 H 1 1.48 0.002 . 2 . . . . 1833 ILE HG12 . 16045 1 741 . 1 1 65 65 ILE HG13 H 1 1.22 0.006 . 2 . . . . 1833 ILE HG13 . 16045 1 742 . 1 1 65 65 ILE HG21 H 1 0.793 0.001 . 1 . . . . 1833 ILE QG2 . 16045 1 743 . 1 1 65 65 ILE HG22 H 1 0.793 0.001 . 1 . . . . 1833 ILE QG2 . 16045 1 744 . 1 1 65 65 ILE HG23 H 1 0.793 0.001 . 1 . . . . 1833 ILE QG2 . 16045 1 745 . 1 1 65 65 ILE C C 13 175.618 0.3 . 1 . . . . 1833 ILE C . 16045 1 746 . 1 1 65 65 ILE CA C 13 61.573 0.05 . 1 . . . . 1833 ILE CA . 16045 1 747 . 1 1 65 65 ILE CB C 13 34.328 0.058 . 1 . . . . 1833 ILE CB . 16045 1 748 . 1 1 65 65 ILE CD1 C 13 9.529 0.027 . 1 . . . . 1833 ILE CD1 . 16045 1 749 . 1 1 65 65 ILE CG1 C 13 26.389 0.075 . 1 . . . . 1833 ILE CG1 . 16045 1 750 . 1 1 65 65 ILE CG2 C 13 15.04 0.075 . 1 . . . . 1833 ILE CG2 . 16045 1 751 . 1 1 65 65 ILE N N 15 118.05 0.058 . 1 . . . . 1833 ILE N . 16045 1 752 . 1 1 66 66 SER H H 1 7.483 0.004 . 1 . . . . 1834 SER H . 16045 1 753 . 1 1 66 66 SER HA H 1 4.086 0.004 . 1 . . . . 1834 SER HA . 16045 1 754 . 1 1 66 66 SER HB2 H 1 3.692 0.004 . 2 . . . . 1834 SER HB2 . 16045 1 755 . 1 1 66 66 SER HB3 H 1 3.577 0.005 . 2 . . . . 1834 SER HB3 . 16045 1 756 . 1 1 66 66 SER C C 13 174.22 0.3 . 1 . . . . 1834 SER C . 16045 1 757 . 1 1 66 66 SER CA C 13 59.776 0.141 . 1 . . . . 1834 SER CA . 16045 1 758 . 1 1 66 66 SER CB C 13 60.56 0.101 . 1 . . . . 1834 SER CB . 16045 1 759 . 1 1 66 66 SER N N 15 115.185 0.039 . 1 . . . . 1834 SER N . 16045 1 760 . 1 1 67 67 LEU H H 1 7.648 0.002 . 1 . . . . 1835 LEU H . 16045 1 761 . 1 1 67 67 LEU HA H 1 4.232 0.003 . 1 . . . . 1835 LEU HA . 16045 1 762 . 1 1 67 67 LEU HB2 H 1 1.924 0.004 . 2 . . . . 1835 LEU HB2 . 16045 1 763 . 1 1 67 67 LEU HB3 H 1 1.331 0.002 . 2 . . . . 1835 LEU HB3 . 16045 1 764 . 1 1 67 67 LEU HD11 H 1 0.816 0.003 . 2 . . . . 1835 LEU QD1 . 16045 1 765 . 1 1 67 67 LEU HD12 H 1 0.816 0.003 . 2 . . . . 1835 LEU QD1 . 16045 1 766 . 1 1 67 67 LEU HD13 H 1 0.816 0.003 . 2 . . . . 1835 LEU QD1 . 16045 1 767 . 1 1 67 67 LEU HD21 H 1 0.579 0.001 . 2 . . . . 1835 LEU QD2 . 16045 1 768 . 1 1 67 67 LEU HD22 H 1 0.579 0.001 . 2 . . . . 1835 LEU QD2 . 16045 1 769 . 1 1 67 67 LEU HD23 H 1 0.579 0.001 . 2 . . . . 1835 LEU QD2 . 16045 1 770 . 1 1 67 67 LEU HG H 1 1.729 0.002 . 1 . . . . 1835 LEU HG . 16045 1 771 . 1 1 67 67 LEU C C 13 177.968 0.3 . 1 . . . . 1835 LEU C . 16045 1 772 . 1 1 67 67 LEU CA C 13 55.443 0.049 . 1 . . . . 1835 LEU CA . 16045 1 773 . 1 1 67 67 LEU CB C 13 38.969 0.061 . 1 . . . . 1835 LEU CB . 16045 1 774 . 1 1 67 67 LEU CD1 C 13 20.641 0.043 . 2 . . . . 1835 LEU CD1 . 16045 1 775 . 1 1 67 67 LEU CD2 C 13 22.337 0.102 . 2 . . . . 1835 LEU CD2 . 16045 1 776 . 1 1 67 67 LEU CG C 13 24.573 0.071 . 1 . . . . 1835 LEU CG . 16045 1 777 . 1 1 67 67 LEU N N 15 119.488 0.004 . 1 . . . . 1835 LEU N . 16045 1 778 . 1 1 68 68 ILE H H 1 8.327 0.009 . 1 . . . . 1836 ILE H . 16045 1 779 . 1 1 68 68 ILE HA H 1 3.853 0.004 . 1 . . . . 1836 ILE HA . 16045 1 780 . 1 1 68 68 ILE HB H 1 1.919 0.004 . 1 . . . . 1836 ILE HB . 16045 1 781 . 1 1 68 68 ILE HD11 H 1 0.8 0.007 . 1 . . . . 1836 ILE QD1 . 16045 1 782 . 1 1 68 68 ILE HD12 H 1 0.8 0.007 . 1 . . . . 1836 ILE QD1 . 16045 1 783 . 1 1 68 68 ILE HD13 H 1 0.8 0.007 . 1 . . . . 1836 ILE QD1 . 16045 1 784 . 1 1 68 68 ILE HG12 H 1 1.689 0.006 . 2 . . . . 1836 ILE HG12 . 16045 1 785 . 1 1 68 68 ILE HG13 H 1 1.204 0.005 . 2 . . . . 1836 ILE HG13 . 16045 1 786 . 1 1 68 68 ILE HG21 H 1 0.903 0.005 . 1 . . . . 1836 ILE QG2 . 16045 1 787 . 1 1 68 68 ILE HG22 H 1 0.903 0.005 . 1 . . . . 1836 ILE QG2 . 16045 1 788 . 1 1 68 68 ILE HG23 H 1 0.903 0.005 . 1 . . . . 1836 ILE QG2 . 16045 1 789 . 1 1 68 68 ILE C C 13 176.723 0.3 . 1 . . . . 1836 ILE C . 16045 1 790 . 1 1 68 68 ILE CA C 13 62.324 0.063 . 1 . . . . 1836 ILE CA . 16045 1 791 . 1 1 68 68 ILE CB C 13 35.743 0.06 . 1 . . . . 1836 ILE CB . 16045 1 792 . 1 1 68 68 ILE CD1 C 13 11.119 0.07 . 1 . . . . 1836 ILE CD1 . 16045 1 793 . 1 1 68 68 ILE CG1 C 13 27.074 0.124 . 1 . . . . 1836 ILE CG1 . 16045 1 794 . 1 1 68 68 ILE CG2 C 13 14.821 0.031 . 1 . . . . 1836 ILE CG2 . 16045 1 795 . 1 1 68 68 ILE N N 15 121.41 0.079 . 1 . . . . 1836 ILE N . 16045 1 796 . 1 1 69 69 ASN H H 1 7.729 0.003 . 1 . . . . 1837 ASN H . 16045 1 797 . 1 1 69 69 ASN HA H 1 4.541 0.006 . 1 . . . . 1837 ASN HA . 16045 1 798 . 1 1 69 69 ASN HB2 H 1 2.842 0.006 . 2 . . . . 1837 ASN HB2 . 16045 1 799 . 1 1 69 69 ASN HB3 H 1 2.74 0.008 . 2 . . . . 1837 ASN HB3 . 16045 1 800 . 1 1 69 69 ASN HD21 H 1 6.766 0.02 . 2 . . . . 1837 ASN HD21 . 16045 1 801 . 1 1 69 69 ASN HD22 H 1 7.484 0.02 . 2 . . . . 1837 ASN HD22 . 16045 1 802 . 1 1 69 69 ASN C C 13 173.626 0.02 . 1 . . . . 1837 ASN C . 16045 1 803 . 1 1 69 69 ASN CA C 13 52.005 0.044 . 1 . . . . 1837 ASN CA . 16045 1 804 . 1 1 69 69 ASN CB C 13 36.171 0.087 . 1 . . . . 1837 ASN CB . 16045 1 805 . 1 1 69 69 ASN N N 15 117.085 0.025 . 1 . . . . 1837 ASN N . 16045 1 806 . 1 1 69 69 ASN ND2 N 15 111.496 0.017 . 1 . . . . 1837 ASN ND2 . 16045 1 807 . 1 1 70 70 MET H H 1 7.392 0.004 . 1 . . . . 1838 MET H . 16045 1 808 . 1 1 70 70 MET HA H 1 4.121 0.002 . 1 . . . . 1838 MET HA . 16045 1 809 . 1 1 70 70 MET HB2 H 1 2.16 0.005 . 2 . . . . 1838 MET HB2 . 16045 1 810 . 1 1 70 70 MET HB3 H 1 1.992 0.006 . 2 . . . . 1838 MET HB3 . 16045 1 811 . 1 1 70 70 MET HE1 H 1 1.669 0.02 . 1 . . . . 1838 MET HE . 16045 1 812 . 1 1 70 70 MET HE2 H 1 1.669 0.02 . 1 . . . . 1838 MET HE . 16045 1 813 . 1 1 70 70 MET HE3 H 1 1.669 0.02 . 1 . . . . 1838 MET HE . 16045 1 814 . 1 1 70 70 MET HG2 H 1 3.014 0.002 . 2 . . . . 1838 MET HG2 . 16045 1 815 . 1 1 70 70 MET HG3 H 1 2.49 0.002 . 2 . . . . 1838 MET HG3 . 16045 1 816 . 1 1 70 70 MET C C 13 173.19 0.3 . 1 . . . . 1838 MET C . 16045 1 817 . 1 1 70 70 MET CA C 13 55.592 0.062 . 1 . . . . 1838 MET CA . 16045 1 818 . 1 1 70 70 MET CB C 13 31.001 0.103 . 1 . . . . 1838 MET CB . 16045 1 819 . 1 1 70 70 MET CE C 13 15.829 0.3 . 1 . . . . 1838 MET CE . 16045 1 820 . 1 1 70 70 MET CG C 13 31.222 0.092 . 1 . . . . 1838 MET CG . 16045 1 821 . 1 1 70 70 MET N N 15 118.195 0.045 . 1 . . . . 1838 MET N . 16045 1 822 . 1 1 71 71 ASP H H 1 7.929 0.004 . 1 . . . . 1839 ASP H . 16045 1 823 . 1 1 71 71 ASP HA H 1 4.336 0.004 . 1 . . . . 1839 ASP HA . 16045 1 824 . 1 1 71 71 ASP HB2 H 1 2.914 0.008 . 2 . . . . 1839 ASP HB2 . 16045 1 825 . 1 1 71 71 ASP HB3 H 1 2.308 0.006 . 2 . . . . 1839 ASP HB3 . 16045 1 826 . 1 1 71 71 ASP C C 13 172.826 0.3 . 1 . . . . 1839 ASP C . 16045 1 827 . 1 1 71 71 ASP CA C 13 51.889 0.079 . 1 . . . . 1839 ASP CA . 16045 1 828 . 1 1 71 71 ASP CB C 13 37.064 0.058 . 1 . . . . 1839 ASP CB . 16045 1 829 . 1 1 71 71 ASP N N 15 119.225 0.085 . 1 . . . . 1839 ASP N . 16045 1 830 . 1 1 72 72 LEU H H 1 8.72 0.002 . 1 . . . . 1840 LEU H . 16045 1 831 . 1 1 72 72 LEU HA H 1 4.334 0.003 . 1 . . . . 1840 LEU HA . 16045 1 832 . 1 1 72 72 LEU HB2 H 1 1.746 0.006 . 2 . . . . 1840 LEU HB2 . 16045 1 833 . 1 1 72 72 LEU HB3 H 1 1.179 0.005 . 2 . . . . 1840 LEU HB3 . 16045 1 834 . 1 1 72 72 LEU HD11 H 1 1.008 0.001 . 2 . . . . 1840 LEU QD1 . 16045 1 835 . 1 1 72 72 LEU HD12 H 1 1.008 0.001 . 2 . . . . 1840 LEU QD1 . 16045 1 836 . 1 1 72 72 LEU HD13 H 1 1.008 0.001 . 2 . . . . 1840 LEU QD1 . 16045 1 837 . 1 1 72 72 LEU HD21 H 1 0.853 0.002 . 2 . . . . 1840 LEU QD2 . 16045 1 838 . 1 1 72 72 LEU HD22 H 1 0.853 0.002 . 2 . . . . 1840 LEU QD2 . 16045 1 839 . 1 1 72 72 LEU HD23 H 1 0.853 0.002 . 2 . . . . 1840 LEU QD2 . 16045 1 840 . 1 1 72 72 LEU HG H 1 1.588 0.004 . 1 . . . . 1840 LEU HG . 16045 1 841 . 1 1 72 72 LEU CA C 13 50.741 0.106 . 1 . . . . 1840 LEU CA . 16045 1 842 . 1 1 72 72 LEU CB C 13 39.174 0.045 . 1 . . . . 1840 LEU CB . 16045 1 843 . 1 1 72 72 LEU CD1 C 13 24.468 0.091 . 2 . . . . 1840 LEU CD1 . 16045 1 844 . 1 1 72 72 LEU CD2 C 13 22.005 0.007 . 2 . . . . 1840 LEU CD2 . 16045 1 845 . 1 1 72 72 LEU CG C 13 24.953 0.009 . 1 . . . . 1840 LEU CG . 16045 1 846 . 1 1 72 72 LEU N N 15 121.474 0.01 . 1 . . . . 1840 LEU N . 16045 1 847 . 1 1 73 73 PRO HA H 1 4.415 0.004 . 1 . . . . 1841 PRO HA . 16045 1 848 . 1 1 73 73 PRO HB2 H 1 2.176 0.01 . 2 . . . . 1841 PRO HB2 . 16045 1 849 . 1 1 73 73 PRO HB3 H 1 1.895 0.005 . 2 . . . . 1841 PRO HB3 . 16045 1 850 . 1 1 73 73 PRO HD2 H 1 3.381 0.004 . 2 . . . . 1841 PRO HD2 . 16045 1 851 . 1 1 73 73 PRO HD3 H 1 3.949 0.004 . 2 . . . . 1841 PRO HD3 . 16045 1 852 . 1 1 73 73 PRO HG2 H 1 2.076 0.002 . 2 . . . . 1841 PRO HG2 . 16045 1 853 . 1 1 73 73 PRO HG3 H 1 1.97 0.001 . 2 . . . . 1841 PRO HG3 . 16045 1 854 . 1 1 73 73 PRO C C 13 173.694 0.3 . 1 . . . . 1841 PRO C . 16045 1 855 . 1 1 73 73 PRO CA C 13 60.369 0.086 . 1 . . . . 1841 PRO CA . 16045 1 856 . 1 1 73 73 PRO CB C 13 29.008 0.084 . 1 . . . . 1841 PRO CB . 16045 1 857 . 1 1 73 73 PRO CD C 13 48.368 0.045 . 1 . . . . 1841 PRO CD . 16045 1 858 . 1 1 73 73 PRO CG C 13 25.285 0.034 . 1 . . . . 1841 PRO CG . 16045 1 859 . 1 1 74 74 MET H H 1 8.218 0.002 . 1 . . . . 1842 MET H . 16045 1 860 . 1 1 74 74 MET HA H 1 5.134 0.004 . 1 . . . . 1842 MET HA . 16045 1 861 . 1 1 74 74 MET HB2 H 1 1.868 0.006 . 2 . . . . 1842 MET QB . 16045 1 862 . 1 1 74 74 MET HB3 H 1 1.868 0.006 . 2 . . . . 1842 MET QB . 16045 1 863 . 1 1 74 74 MET HE1 H 1 1.713 0.02 . 1 . . . . 1842 MET HE . 16045 1 864 . 1 1 74 74 MET HE2 H 1 1.713 0.02 . 1 . . . . 1842 MET HE . 16045 1 865 . 1 1 74 74 MET HE3 H 1 1.713 0.02 . 1 . . . . 1842 MET HE . 16045 1 866 . 1 1 74 74 MET HG2 H 1 2.438 0.004 . 2 . . . . 1842 MET HG2 . 16045 1 867 . 1 1 74 74 MET HG3 H 1 2.254 0.003 . 2 . . . . 1842 MET HG3 . 16045 1 868 . 1 1 74 74 MET C C 13 174.649 0.3 . 1 . . . . 1842 MET C . 16045 1 869 . 1 1 74 74 MET CA C 13 52.11 0.047 . 1 . . . . 1842 MET CA . 16045 1 870 . 1 1 74 74 MET CB C 13 33.815 0.068 . 1 . . . . 1842 MET CB . 16045 1 871 . 1 1 74 74 MET CE C 13 14.689 0.3 . 1 . . . . 1842 MET CE . 16045 1 872 . 1 1 74 74 MET CG C 13 29.797 0.038 . 1 . . . . 1842 MET CG . 16045 1 873 . 1 1 74 74 MET N N 15 121.128 0.021 . 1 . . . . 1842 MET N . 16045 1 874 . 1 1 75 75 VAL H H 1 8.938 0.003 . 1 . . . . 1843 VAL H . 16045 1 875 . 1 1 75 75 VAL HA H 1 4.527 0.005 . 1 . . . . 1843 VAL HA . 16045 1 876 . 1 1 75 75 VAL HB H 1 2.197 0.007 . 1 . . . . 1843 VAL HB . 16045 1 877 . 1 1 75 75 VAL HG11 H 1 0.936 0.004 . 2 . . . . 1843 VAL QG1 . 16045 1 878 . 1 1 75 75 VAL HG12 H 1 0.936 0.004 . 2 . . . . 1843 VAL QG1 . 16045 1 879 . 1 1 75 75 VAL HG13 H 1 0.936 0.004 . 2 . . . . 1843 VAL QG1 . 16045 1 880 . 1 1 75 75 VAL HG21 H 1 0.729 0.004 . 2 . . . . 1843 VAL QG2 . 16045 1 881 . 1 1 75 75 VAL HG22 H 1 0.729 0.004 . 2 . . . . 1843 VAL QG2 . 16045 1 882 . 1 1 75 75 VAL HG23 H 1 0.729 0.004 . 2 . . . . 1843 VAL QG2 . 16045 1 883 . 1 1 75 75 VAL C C 13 173.532 0.3 . 1 . . . . 1843 VAL C . 16045 1 884 . 1 1 75 75 VAL CA C 13 57.759 0.048 . 1 . . . . 1843 VAL CA . 16045 1 885 . 1 1 75 75 VAL CB C 13 31.301 0.053 . 1 . . . . 1843 VAL CB . 16045 1 886 . 1 1 75 75 VAL CG1 C 13 19.154 0.038 . 2 . . . . 1843 VAL CG1 . 16045 1 887 . 1 1 75 75 VAL CG2 C 13 17.683 0.091 . 2 . . . . 1843 VAL CG2 . 16045 1 888 . 1 1 75 75 VAL N N 15 118.268 0.016 . 1 . . . . 1843 VAL N . 16045 1 889 . 1 1 76 76 SER H H 1 8.149 0.002 . 1 . . . . 1844 SER H . 16045 1 890 . 1 1 76 76 SER HA H 1 4.074 0.007 . 1 . . . . 1844 SER HA . 16045 1 891 . 1 1 76 76 SER HB2 H 1 3.807 0.001 . 2 . . . . 1844 SER HB2 . 16045 1 892 . 1 1 76 76 SER HB3 H 1 3.75 0.001 . 2 . . . . 1844 SER HB3 . 16045 1 893 . 1 1 76 76 SER C C 13 172.45 0.3 . 1 . . . . 1844 SER C . 16045 1 894 . 1 1 76 76 SER CA C 13 57.038 0.073 . 1 . . . . 1844 SER CA . 16045 1 895 . 1 1 76 76 SER CB C 13 60.67 0.084 . 1 . . . . 1844 SER CB . 16045 1 896 . 1 1 76 76 SER N N 15 114.743 0.037 . 1 . . . . 1844 SER N . 16045 1 897 . 1 1 77 77 GLY H H 1 8.652 0.002 . 1 . . . . 1845 GLY H . 16045 1 898 . 1 1 77 77 GLY HA2 H 1 4.042 0.009 . 2 . . . . 1845 GLY HA2 . 16045 1 899 . 1 1 77 77 GLY HA3 H 1 3.569 0.009 . 2 . . . . 1845 GLY HA3 . 16045 1 900 . 1 1 77 77 GLY C C 13 171.995 0.3 . 1 . . . . 1845 GLY C . 16045 1 901 . 1 1 77 77 GLY CA C 13 43.161 0.072 . 1 . . . . 1845 GLY CA . 16045 1 902 . 1 1 77 77 GLY N N 15 111.344 0.036 . 1 . . . . 1845 GLY N . 16045 1 903 . 1 1 78 78 ASP H H 1 8.288 0.002 . 1 . . . . 1846 ASP H . 16045 1 904 . 1 1 78 78 ASP HA H 1 4.491 0.007 . 1 . . . . 1846 ASP HA . 16045 1 905 . 1 1 78 78 ASP HB2 H 1 3.013 0.008 . 2 . . . . 1846 ASP HB2 . 16045 1 906 . 1 1 78 78 ASP HB3 H 1 2.856 0.008 . 2 . . . . 1846 ASP HB3 . 16045 1 907 . 1 1 78 78 ASP C C 13 172.023 0.3 . 1 . . . . 1846 ASP C . 16045 1 908 . 1 1 78 78 ASP CA C 13 52.582 0.045 . 1 . . . . 1846 ASP CA . 16045 1 909 . 1 1 78 78 ASP CB C 13 37.034 0.107 . 1 . . . . 1846 ASP CB . 16045 1 910 . 1 1 78 78 ASP N N 15 118.644 0.021 . 1 . . . . 1846 ASP N . 16045 1 911 . 1 1 79 79 ARG H H 1 7.256 0.005 . 1 . . . . 1847 ARG H . 16045 1 912 . 1 1 79 79 ARG HA H 1 5.056 0.003 . 1 . . . . 1847 ARG HA . 16045 1 913 . 1 1 79 79 ARG HB2 H 1 1.431 0.003 . 2 . . . . 1847 ARG QB . 16045 1 914 . 1 1 79 79 ARG HB3 H 1 1.431 0.003 . 2 . . . . 1847 ARG QB . 16045 1 915 . 1 1 79 79 ARG HD2 H 1 2.9 0.005 . 2 . . . . 1847 ARG HD2 . 16045 1 916 . 1 1 79 79 ARG HD3 H 1 2.703 0.005 . 2 . . . . 1847 ARG HD3 . 16045 1 917 . 1 1 79 79 ARG HG2 H 1 1.501 0.004 . 2 . . . . 1847 ARG HG2 . 16045 1 918 . 1 1 79 79 ARG HG3 H 1 1.313 0.007 . 2 . . . . 1847 ARG HG3 . 16045 1 919 . 1 1 79 79 ARG C C 13 172.956 0.3 . 1 . . . . 1847 ARG C . 16045 1 920 . 1 1 79 79 ARG CA C 13 52.901 0.051 . 1 . . . . 1847 ARG CA . 16045 1 921 . 1 1 79 79 ARG CB C 13 30.606 0.06 . 1 . . . . 1847 ARG CB . 16045 1 922 . 1 1 79 79 ARG CD C 13 41.018 0.025 . 1 . . . . 1847 ARG CD . 16045 1 923 . 1 1 79 79 ARG CG C 13 25.556 0.161 . 1 . . . . 1847 ARG CG . 16045 1 924 . 1 1 79 79 ARG N N 15 116.578 0.018 . 1 . . . . 1847 ARG N . 16045 1 925 . 1 1 80 80 ILE H H 1 9.186 0.003 . 1 . . . . 1848 ILE H . 16045 1 926 . 1 1 80 80 ILE HA H 1 4.711 0.004 . 1 . . . . 1848 ILE HA . 16045 1 927 . 1 1 80 80 ILE HB H 1 1.653 0.007 . 1 . . . . 1848 ILE HB . 16045 1 928 . 1 1 80 80 ILE HD11 H 1 0.944 0.002 . 1 . . . . 1848 ILE QD1 . 16045 1 929 . 1 1 80 80 ILE HD12 H 1 0.944 0.002 . 1 . . . . 1848 ILE QD1 . 16045 1 930 . 1 1 80 80 ILE HD13 H 1 0.944 0.002 . 1 . . . . 1848 ILE QD1 . 16045 1 931 . 1 1 80 80 ILE HG12 H 1 1.609 0.002 . 2 . . . . 1848 ILE HG12 . 16045 1 932 . 1 1 80 80 ILE HG13 H 1 1.1 0.003 . 2 . . . . 1848 ILE HG13 . 16045 1 933 . 1 1 80 80 ILE HG21 H 1 1.179 0.02 . 1 . . . . 1848 ILE QG2 . 16045 1 934 . 1 1 80 80 ILE HG22 H 1 1.179 0.02 . 1 . . . . 1848 ILE QG2 . 16045 1 935 . 1 1 80 80 ILE HG23 H 1 1.179 0.02 . 1 . . . . 1848 ILE QG2 . 16045 1 936 . 1 1 80 80 ILE C C 13 172.526 0.3 . 1 . . . . 1848 ILE C . 16045 1 937 . 1 1 80 80 ILE CA C 13 58.138 0.088 . 1 . . . . 1848 ILE CA . 16045 1 938 . 1 1 80 80 ILE CB C 13 39.582 0.077 . 1 . . . . 1848 ILE CB . 16045 1 939 . 1 1 80 80 ILE CD1 C 13 13.991 0.08 . 1 . . . . 1848 ILE CD1 . 16045 1 940 . 1 1 80 80 ILE CG1 C 13 26.008 0.037 . 1 . . . . 1848 ILE CG1 . 16045 1 941 . 1 1 80 80 ILE CG2 C 13 17.933 0.093 . 1 . . . . 1848 ILE CG2 . 16045 1 942 . 1 1 80 80 ILE N N 15 119.683 0.036 . 1 . . . . 1848 ILE N . 16045 1 943 . 1 1 81 81 HIS H H 1 9.757 0.004 . 1 . . . . 1849 HIS H . 16045 1 944 . 1 1 81 81 HIS HA H 1 4.18 0.002 . 1 . . . . 1849 HIS HA . 16045 1 945 . 1 1 81 81 HIS HB2 H 1 2.92 0.001 . 2 . . . . 1849 HIS HB2 . 16045 1 946 . 1 1 81 81 HIS HB3 H 1 2.852 0.02 . 2 . . . . 1849 HIS HB3 . 16045 1 947 . 1 1 81 81 HIS HD2 H 1 6.146 0.02 . 1 . . . . 1849 HIS HD2 . 16045 1 948 . 1 1 81 81 HIS C C 13 175.058 0.3 . 1 . . . . 1849 HIS C . 16045 1 949 . 1 1 81 81 HIS CA C 13 55.51 0.07 . 1 . . . . 1849 HIS CA . 16045 1 950 . 1 1 81 81 HIS CB C 13 29.894 0.098 . 1 . . . . 1849 HIS CB . 16045 1 951 . 1 1 81 81 HIS N N 15 128.31 0.044 . 1 . . . . 1849 HIS N . 16045 1 952 . 1 1 82 82 CYS H H 1 7.91 0.004 . 1 . . . . 1850 CYS H . 16045 1 953 . 1 1 82 82 CYS HA H 1 3.104 0.006 . 1 . . . . 1850 CYS HA . 16045 1 954 . 1 1 82 82 CYS HB2 H 1 1.589 0.005 . 2 . . . . 1850 CYS HB2 . 16045 1 955 . 1 1 82 82 CYS HB3 H 1 1.457 0.009 . 2 . . . . 1850 CYS HB3 . 16045 1 956 . 1 1 82 82 CYS C C 13 173.202 0.3 . 1 . . . . 1850 CYS C . 16045 1 957 . 1 1 82 82 CYS CA C 13 57.694 0.069 . 1 . . . . 1850 CYS CA . 16045 1 958 . 1 1 82 82 CYS CB C 13 39.975 0.045 . 1 . . . . 1850 CYS CB . 16045 1 959 . 1 1 82 82 CYS N N 15 124.909 0.032 . 1 . . . . 1850 CYS N . 16045 1 960 . 1 1 83 83 MET H H 1 9.901 0.009 . 1 . . . . 1851 MET H . 16045 1 961 . 1 1 83 83 MET HA H 1 4.094 0.003 . 1 . . . . 1851 MET HA . 16045 1 962 . 1 1 83 83 MET HB2 H 1 2.012 0.007 . 2 . . . . 1851 MET HB2 . 16045 1 963 . 1 1 83 83 MET HB3 H 1 1.841 0.008 . 2 . . . . 1851 MET HB3 . 16045 1 964 . 1 1 83 83 MET HE1 H 1 1.849 0.02 . 1 . . . . 1851 MET HE . 16045 1 965 . 1 1 83 83 MET HE2 H 1 1.849 0.02 . 1 . . . . 1851 MET HE . 16045 1 966 . 1 1 83 83 MET HE3 H 1 1.849 0.02 . 1 . . . . 1851 MET HE . 16045 1 967 . 1 1 83 83 MET HG2 H 1 2.546 0.009 . 2 . . . . 1851 MET HG2 . 16045 1 968 . 1 1 83 83 MET HG3 H 1 2.421 0.007 . 2 . . . . 1851 MET HG3 . 16045 1 969 . 1 1 83 83 MET C C 13 177.083 0.3 . 1 . . . . 1851 MET C . 16045 1 970 . 1 1 83 83 MET CA C 13 55.355 0.04 . 1 . . . . 1851 MET CA . 16045 1 971 . 1 1 83 83 MET CB C 13 28.92 0.114 . 1 . . . . 1851 MET CB . 16045 1 972 . 1 1 83 83 MET CE C 13 14.409 0.3 . 1 . . . . 1851 MET CE . 16045 1 973 . 1 1 83 83 MET CG C 13 30.522 0.028 . 1 . . . . 1851 MET CG . 16045 1 974 . 1 1 83 83 MET N N 15 120.016 0.026 . 1 . . . . 1851 MET N . 16045 1 975 . 1 1 84 84 ASP H H 1 7.191 0.004 . 1 . . . . 1852 ASP H . 16045 1 976 . 1 1 84 84 ASP HA H 1 4.594 0.009 . 1 . . . . 1852 ASP HA . 16045 1 977 . 1 1 84 84 ASP HB2 H 1 2.843 0.003 . 2 . . . . 1852 ASP HB2 . 16045 1 978 . 1 1 84 84 ASP HB3 H 1 2.587 0.003 . 2 . . . . 1852 ASP HB3 . 16045 1 979 . 1 1 84 84 ASP C C 13 177.032 0.3 . 1 . . . . 1852 ASP C . 16045 1 980 . 1 1 84 84 ASP CA C 13 55.263 0.07 . 1 . . . . 1852 ASP CA . 16045 1 981 . 1 1 84 84 ASP CB C 13 38.501 0.078 . 1 . . . . 1852 ASP CB . 16045 1 982 . 1 1 84 84 ASP N N 15 118.342 0.021 . 1 . . . . 1852 ASP N . 16045 1 983 . 1 1 85 85 ILE H H 1 7.419 0.003 . 1 . . . . 1853 ILE H . 16045 1 984 . 1 1 85 85 ILE HA H 1 3.46 0.003 . 1 . . . . 1853 ILE HA . 16045 1 985 . 1 1 85 85 ILE HB H 1 1.811 0.006 . 1 . . . . 1853 ILE HB . 16045 1 986 . 1 1 85 85 ILE HD11 H 1 0.698 0.004 . 1 . . . . 1853 ILE QD1 . 16045 1 987 . 1 1 85 85 ILE HD12 H 1 0.698 0.004 . 1 . . . . 1853 ILE QD1 . 16045 1 988 . 1 1 85 85 ILE HD13 H 1 0.698 0.004 . 1 . . . . 1853 ILE QD1 . 16045 1 989 . 1 1 85 85 ILE HG12 H 1 1.605 0.005 . 2 . . . . 1853 ILE HG12 . 16045 1 990 . 1 1 85 85 ILE HG13 H 1 0.868 0.004 . 2 . . . . 1853 ILE HG13 . 16045 1 991 . 1 1 85 85 ILE HG21 H 1 0.325 0.003 . 1 . . . . 1853 ILE QG2 . 16045 1 992 . 1 1 85 85 ILE HG22 H 1 0.325 0.003 . 1 . . . . 1853 ILE QG2 . 16045 1 993 . 1 1 85 85 ILE HG23 H 1 0.325 0.003 . 1 . . . . 1853 ILE QG2 . 16045 1 994 . 1 1 85 85 ILE C C 13 174.183 0.3 . 1 . . . . 1853 ILE C . 16045 1 995 . 1 1 85 85 ILE CA C 13 62.255 0.061 . 1 . . . . 1853 ILE CA . 16045 1 996 . 1 1 85 85 ILE CB C 13 34.945 0.086 . 1 . . . . 1853 ILE CB . 16045 1 997 . 1 1 85 85 ILE CD1 C 13 12.165 0.037 . 1 . . . . 1853 ILE CD1 . 16045 1 998 . 1 1 85 85 ILE CG1 C 13 27.376 0.025 . 1 . . . . 1853 ILE CG1 . 16045 1 999 . 1 1 85 85 ILE CG2 C 13 14.704 0.111 . 1 . . . . 1853 ILE CG2 . 16045 1 1000 . 1 1 85 85 ILE N N 15 121.622 0.031 . 1 . . . . 1853 ILE N . 16045 1 1001 . 1 1 86 86 LEU H H 1 8.651 0.002 . 1 . . . . 1854 LEU H . 16045 1 1002 . 1 1 86 86 LEU HA H 1 3.406 0.006 . 1 . . . . 1854 LEU HA . 16045 1 1003 . 1 1 86 86 LEU HB2 H 1 1.488 0.013 . 2 . . . . 1854 LEU HB2 . 16045 1 1004 . 1 1 86 86 LEU HB3 H 1 0.975 0.01 . 2 . . . . 1854 LEU HB3 . 16045 1 1005 . 1 1 86 86 LEU HD11 H 1 0.483 0.005 . 2 . . . . 1854 LEU QD1 . 16045 1 1006 . 1 1 86 86 LEU HD12 H 1 0.483 0.005 . 2 . . . . 1854 LEU QD1 . 16045 1 1007 . 1 1 86 86 LEU HD13 H 1 0.483 0.005 . 2 . . . . 1854 LEU QD1 . 16045 1 1008 . 1 1 86 86 LEU HD21 H 1 -0.207 0.004 . 2 . . . . 1854 LEU QD2 . 16045 1 1009 . 1 1 86 86 LEU HD22 H 1 -0.207 0.004 . 2 . . . . 1854 LEU QD2 . 16045 1 1010 . 1 1 86 86 LEU HD23 H 1 -0.207 0.004 . 2 . . . . 1854 LEU QD2 . 16045 1 1011 . 1 1 86 86 LEU HG H 1 1.028 0.005 . 1 . . . . 1854 LEU HG . 16045 1 1012 . 1 1 86 86 LEU C C 13 177.801 0.3 . 1 . . . . 1854 LEU C . 16045 1 1013 . 1 1 86 86 LEU CA C 13 56.171 0.056 . 1 . . . . 1854 LEU CA . 16045 1 1014 . 1 1 86 86 LEU CB C 13 38.498 0.045 . 1 . . . . 1854 LEU CB . 16045 1 1015 . 1 1 86 86 LEU CD1 C 13 22.902 0.076 . 2 . . . . 1854 LEU CD1 . 16045 1 1016 . 1 1 86 86 LEU CD2 C 13 18.057 0.123 . 2 . . . . 1854 LEU CD2 . 16045 1 1017 . 1 1 86 86 LEU CG C 13 24.05 0.065 . 1 . . . . 1854 LEU CG . 16045 1 1018 . 1 1 86 86 LEU N N 15 120.347 0.038 . 1 . . . . 1854 LEU N . 16045 1 1019 . 1 1 87 87 PHE H H 1 8.133 0.005 . 1 . . . . 1855 PHE H . 16045 1 1020 . 1 1 87 87 PHE HA H 1 4.15 0.004 . 1 . . . . 1855 PHE HA . 16045 1 1021 . 1 1 87 87 PHE HB2 H 1 3.289 0.008 . 2 . . . . 1855 PHE HB2 . 16045 1 1022 . 1 1 87 87 PHE HB3 H 1 3.109 0.006 . 2 . . . . 1855 PHE HB3 . 16045 1 1023 . 1 1 87 87 PHE HD1 H 1 7.227 0.02 . 3 . . . . 1855 PHE QD . 16045 1 1024 . 1 1 87 87 PHE HD2 H 1 7.227 0.02 . 3 . . . . 1855 PHE QD . 16045 1 1025 . 1 1 87 87 PHE HE1 H 1 6.698 0.02 . 3 . . . . 1855 PHE QE . 16045 1 1026 . 1 1 87 87 PHE HE2 H 1 6.698 0.02 . 3 . . . . 1855 PHE QE . 16045 1 1027 . 1 1 87 87 PHE C C 13 175.187 0.3 . 1 . . . . 1855 PHE C . 16045 1 1028 . 1 1 87 87 PHE CA C 13 58.897 0.108 . 1 . . . . 1855 PHE CA . 16045 1 1029 . 1 1 87 87 PHE CB C 13 36.382 0.052 . 1 . . . . 1855 PHE CB . 16045 1 1030 . 1 1 87 87 PHE N N 15 119.177 0.066 . 1 . . . . 1855 PHE N . 16045 1 1031 . 1 1 88 88 ALA H H 1 7.879 0.006 . 1 . . . . 1856 ALA H . 16045 1 1032 . 1 1 88 88 ALA HA H 1 4.034 0.007 . 1 . . . . 1856 ALA HA . 16045 1 1033 . 1 1 88 88 ALA HB1 H 1 1.762 0.006 . 1 . . . . 1856 ALA QB . 16045 1 1034 . 1 1 88 88 ALA HB2 H 1 1.762 0.006 . 1 . . . . 1856 ALA QB . 16045 1 1035 . 1 1 88 88 ALA HB3 H 1 1.762 0.006 . 1 . . . . 1856 ALA QB . 16045 1 1036 . 1 1 88 88 ALA C C 13 173.778 0.3 . 1 . . . . 1856 ALA C . 16045 1 1037 . 1 1 88 88 ALA CA C 13 53.085 0.069 . 1 . . . . 1856 ALA CA . 16045 1 1038 . 1 1 88 88 ALA CB C 13 17.284 0.06 . 1 . . . . 1856 ALA CB . 16045 1 1039 . 1 1 88 88 ALA N N 15 120.983 0.032 . 1 . . . . 1856 ALA N . 16045 1 1040 . 1 1 89 89 PHE H H 1 9.512 0.004 . 1 . . . . 1857 PHE H . 16045 1 1041 . 1 1 89 89 PHE HA H 1 4.334 0.003 . 1 . . . . 1857 PHE HA . 16045 1 1042 . 1 1 89 89 PHE HB2 H 1 3.393 0.002 . 2 . . . . 1857 PHE HB2 . 16045 1 1043 . 1 1 89 89 PHE HB3 H 1 2.936 0.006 . 2 . . . . 1857 PHE HB3 . 16045 1 1044 . 1 1 89 89 PHE HD1 H 1 7.284 0.02 . 3 . . . . 1857 PHE QD . 16045 1 1045 . 1 1 89 89 PHE HD2 H 1 7.284 0.02 . 3 . . . . 1857 PHE QD . 16045 1 1046 . 1 1 89 89 PHE HE1 H 1 7.152 0.02 . 3 . . . . 1857 PHE QE . 16045 1 1047 . 1 1 89 89 PHE HE2 H 1 7.152 0.02 . 3 . . . . 1857 PHE QE . 16045 1 1048 . 1 1 89 89 PHE C C 13 176.722 0.3 . 1 . . . . 1857 PHE C . 16045 1 1049 . 1 1 89 89 PHE CA C 13 57.316 0.078 . 1 . . . . 1857 PHE CA . 16045 1 1050 . 1 1 89 89 PHE CB C 13 34.844 0.038 . 1 . . . . 1857 PHE CB . 16045 1 1051 . 1 1 89 89 PHE N N 15 118.894 0.04 . 1 . . . . 1857 PHE N . 16045 1 1052 . 1 1 90 90 THR H H 1 8.236 0.003 . 1 . . . . 1858 THR H . 16045 1 1053 . 1 1 90 90 THR HA H 1 3.749 0.007 . 1 . . . . 1858 THR HA . 16045 1 1054 . 1 1 90 90 THR HB H 1 4.103 0.003 . 1 . . . . 1858 THR HB . 16045 1 1055 . 1 1 90 90 THR HG21 H 1 1.077 0.007 . 1 . . . . 1858 THR QG2 . 16045 1 1056 . 1 1 90 90 THR HG22 H 1 1.077 0.007 . 1 . . . . 1858 THR QG2 . 16045 1 1057 . 1 1 90 90 THR HG23 H 1 1.077 0.007 . 1 . . . . 1858 THR QG2 . 16045 1 1058 . 1 1 90 90 THR C C 13 173.803 0.3 . 1 . . . . 1858 THR C . 16045 1 1059 . 1 1 90 90 THR CA C 13 64.351 0.071 . 1 . . . . 1858 THR CA . 16045 1 1060 . 1 1 90 90 THR CB C 13 66.002 0.139 . 1 . . . . 1858 THR CB . 16045 1 1061 . 1 1 90 90 THR CG2 C 13 19.065 0.104 . 1 . . . . 1858 THR CG2 . 16045 1 1062 . 1 1 90 90 THR N N 15 115.544 0.045 . 1 . . . . 1858 THR N . 16045 1 1063 . 1 1 91 91 LYS H H 1 7.949 0.004 . 1 . . . . 1859 LYS H . 16045 1 1064 . 1 1 91 91 LYS HA H 1 3.722 0.008 . 1 . . . . 1859 LYS HA . 16045 1 1065 . 1 1 91 91 LYS HB2 H 1 1.637 0.011 . 2 . . . . 1859 LYS QB . 16045 1 1066 . 1 1 91 91 LYS HB3 H 1 1.637 0.011 . 2 . . . . 1859 LYS QB . 16045 1 1067 . 1 1 91 91 LYS HD2 H 1 1.449 0.008 . 2 . . . . 1859 LYS QD . 16045 1 1068 . 1 1 91 91 LYS HD3 H 1 1.449 0.008 . 2 . . . . 1859 LYS QD . 16045 1 1069 . 1 1 91 91 LYS HE2 H 1 2.773 0.007 . 2 . . . . 1859 LYS HE2 . 16045 1 1070 . 1 1 91 91 LYS HE3 H 1 2.688 0.003 . 2 . . . . 1859 LYS HE3 . 16045 1 1071 . 1 1 91 91 LYS HG2 H 1 1.216 0.004 . 2 . . . . 1859 LYS HG2 . 16045 1 1072 . 1 1 91 91 LYS HG3 H 1 1.162 0.001 . 2 . . . . 1859 LYS HG3 . 16045 1 1073 . 1 1 91 91 LYS C C 13 176.324 0.3 . 1 . . . . 1859 LYS C . 16045 1 1074 . 1 1 91 91 LYS CA C 13 57.233 0.073 . 1 . . . . 1859 LYS CA . 16045 1 1075 . 1 1 91 91 LYS CB C 13 29.376 0.052 . 1 . . . . 1859 LYS CB . 16045 1 1076 . 1 1 91 91 LYS CD C 13 26.705 0.014 . 1 . . . . 1859 LYS CD . 16045 1 1077 . 1 1 91 91 LYS CE C 13 39.483 0.036 . 1 . . . . 1859 LYS CE . 16045 1 1078 . 1 1 91 91 LYS CG C 13 22.395 0.003 . 1 . . . . 1859 LYS CG . 16045 1 1079 . 1 1 91 91 LYS N N 15 122.239 0.029 . 1 . . . . 1859 LYS N . 16045 1 1080 . 1 1 92 92 ARG H H 1 7.297 0.006 . 1 . . . . 1860 ARG H . 16045 1 1081 . 1 1 92 92 ARG HA H 1 3.953 0.005 . 1 . . . . 1860 ARG HA . 16045 1 1082 . 1 1 92 92 ARG HB2 H 1 1.754 0.004 . 2 . . . . 1860 ARG HB2 . 16045 1 1083 . 1 1 92 92 ARG HB3 H 1 1.679 0.003 . 2 . . . . 1860 ARG HB3 . 16045 1 1084 . 1 1 92 92 ARG HD2 H 1 2.995 0.02 . 2 . . . . 1860 ARG HD2 . 16045 1 1085 . 1 1 92 92 ARG HD3 H 1 2.93 0.001 . 2 . . . . 1860 ARG HD3 . 16045 1 1086 . 1 1 92 92 ARG HG2 H 1 1.54 0.007 . 2 . . . . 1860 ARG HG2 . 16045 1 1087 . 1 1 92 92 ARG HG3 H 1 1.316 0.005 . 2 . . . . 1860 ARG HG3 . 16045 1 1088 . 1 1 92 92 ARG C C 13 175.655 0.3 . 1 . . . . 1860 ARG C . 16045 1 1089 . 1 1 92 92 ARG CA C 13 56.398 0.08 . 1 . . . . 1860 ARG CA . 16045 1 1090 . 1 1 92 92 ARG CB C 13 27.167 0.055 . 1 . . . . 1860 ARG CB . 16045 1 1091 . 1 1 92 92 ARG CD C 13 40.34 0.025 . 1 . . . . 1860 ARG CD . 16045 1 1092 . 1 1 92 92 ARG CG C 13 24.838 0.3 . 1 . . . . 1860 ARG CG . 16045 1 1093 . 1 1 92 92 ARG N N 15 117.216 0.054 . 1 . . . . 1860 ARG N . 16045 1 1094 . 1 1 93 93 VAL H H 1 7.029 0.003 . 1 . . . . 1861 VAL H . 16045 1 1095 . 1 1 93 93 VAL HA H 1 3.718 0.005 . 1 . . . . 1861 VAL HA . 16045 1 1096 . 1 1 93 93 VAL HB H 1 2.107 0.003 . 1 . . . . 1861 VAL HB . 16045 1 1097 . 1 1 93 93 VAL HG11 H 1 0.945 0.001 . 2 . . . . 1861 VAL QG1 . 16045 1 1098 . 1 1 93 93 VAL HG12 H 1 0.945 0.001 . 2 . . . . 1861 VAL QG1 . 16045 1 1099 . 1 1 93 93 VAL HG13 H 1 0.945 0.001 . 2 . . . . 1861 VAL QG1 . 16045 1 1100 . 1 1 93 93 VAL HG21 H 1 0.814 0.007 . 2 . . . . 1861 VAL QG2 . 16045 1 1101 . 1 1 93 93 VAL HG22 H 1 0.814 0.007 . 2 . . . . 1861 VAL QG2 . 16045 1 1102 . 1 1 93 93 VAL HG23 H 1 0.814 0.007 . 2 . . . . 1861 VAL QG2 . 16045 1 1103 . 1 1 93 93 VAL C C 13 175.21 0.3 . 1 . . . . 1861 VAL C . 16045 1 1104 . 1 1 93 93 VAL CA C 13 62.552 0.029 . 1 . . . . 1861 VAL CA . 16045 1 1105 . 1 1 93 93 VAL CB C 13 29.698 0.035 . 1 . . . . 1861 VAL CB . 16045 1 1106 . 1 1 93 93 VAL CG1 C 13 20.462 0.017 . 2 . . . . 1861 VAL CG1 . 16045 1 1107 . 1 1 93 93 VAL CG2 C 13 19.113 0.078 . 2 . . . . 1861 VAL CG2 . 16045 1 1108 . 1 1 93 93 VAL N N 15 117.098 0.035 . 1 . . . . 1861 VAL N . 16045 1 1109 . 1 1 94 94 LEU H H 1 7.899 0.002 . 1 . . . . 1862 LEU H . 16045 1 1110 . 1 1 94 94 LEU HA H 1 4.086 0.005 . 1 . . . . 1862 LEU HA . 16045 1 1111 . 1 1 94 94 LEU HB2 H 1 1.655 0.003 . 2 . . . . 1862 LEU HB2 . 16045 1 1112 . 1 1 94 94 LEU HB3 H 1 1.516 0.004 . 2 . . . . 1862 LEU HB3 . 16045 1 1113 . 1 1 94 94 LEU HD11 H 1 0.774 0.006 . 2 . . . . 1862 LEU QQD . 16045 1 1114 . 1 1 94 94 LEU HD12 H 1 0.774 0.006 . 2 . . . . 1862 LEU QQD . 16045 1 1115 . 1 1 94 94 LEU HD13 H 1 0.774 0.006 . 2 . . . . 1862 LEU QQD . 16045 1 1116 . 1 1 94 94 LEU HD21 H 1 0.774 0.006 . 2 . . . . 1862 LEU QQD . 16045 1 1117 . 1 1 94 94 LEU HD22 H 1 0.774 0.006 . 2 . . . . 1862 LEU QQD . 16045 1 1118 . 1 1 94 94 LEU HD23 H 1 0.774 0.006 . 2 . . . . 1862 LEU QQD . 16045 1 1119 . 1 1 94 94 LEU HG H 1 1.665 0.005 . 1 . . . . 1862 LEU HG . 16045 1 1120 . 1 1 94 94 LEU C C 13 176.066 0.3 . 1 . . . . 1862 LEU C . 16045 1 1121 . 1 1 94 94 LEU CA C 13 53.853 0.048 . 1 . . . . 1862 LEU CA . 16045 1 1122 . 1 1 94 94 LEU CB C 13 39.793 0.083 . 1 . . . . 1862 LEU CB . 16045 1 1123 . 1 1 94 94 LEU CD1 C 13 22.916 0.102 . 2 . . . . 1862 LEU CD1 . 16045 1 1124 . 1 1 94 94 LEU CD2 C 13 20.169 0.005 . 2 . . . . 1862 LEU CD2 . 16045 1 1125 . 1 1 94 94 LEU CG C 13 24.452 0.123 . 1 . . . . 1862 LEU CG . 16045 1 1126 . 1 1 94 94 LEU N N 15 118.566 0.065 . 1 . . . . 1862 LEU N . 16045 1 1127 . 1 1 95 95 GLY H H 1 7.883 0.003 . 1 . . . . 1863 GLY H . 16045 1 1128 . 1 1 95 95 GLY HA2 H 1 3.908 0.003 . 2 . . . . 1863 GLY QA . 16045 1 1129 . 1 1 95 95 GLY HA3 H 1 3.908 0.003 . 2 . . . . 1863 GLY QA . 16045 1 1130 . 1 1 95 95 GLY C C 13 171.81 0.3 . 1 . . . . 1863 GLY C . 16045 1 1131 . 1 1 95 95 GLY CA C 13 43.163 0.044 . 1 . . . . 1863 GLY CA . 16045 1 1132 . 1 1 95 95 GLY N N 15 106.673 0.053 . 1 . . . . 1863 GLY N . 16045 1 1133 . 1 1 96 96 GLU H H 1 7.925 0.003 . 1 . . . . 1864 GLU H . 16045 1 1134 . 1 1 96 96 GLU HA H 1 4.313 0.007 . 1 . . . . 1864 GLU HA . 16045 1 1135 . 1 1 96 96 GLU HB2 H 1 2.043 0.004 . 2 . . . . 1864 GLU HB2 . 16045 1 1136 . 1 1 96 96 GLU HB3 H 1 1.797 0.005 . 2 . . . . 1864 GLU HB3 . 16045 1 1137 . 1 1 96 96 GLU HG2 H 1 2.178 0.007 . 2 . . . . 1864 GLU QG . 16045 1 1138 . 1 1 96 96 GLU HG3 H 1 2.178 0.007 . 2 . . . . 1864 GLU QG . 16045 1 1139 . 1 1 96 96 GLU C C 13 173.408 0.3 . 1 . . . . 1864 GLU C . 16045 1 1140 . 1 1 96 96 GLU CA C 13 53.77 0.098 . 1 . . . . 1864 GLU CA . 16045 1 1141 . 1 1 96 96 GLU CB C 13 28.429 0.165 . 1 . . . . 1864 GLU CB . 16045 1 1142 . 1 1 96 96 GLU CG C 13 33.854 0.053 . 1 . . . . 1864 GLU CG . 16045 1 1143 . 1 1 96 96 GLU N N 15 119.759 0.054 . 1 . . . . 1864 GLU N . 16045 1 1144 . 1 1 97 97 SER H H 1 7.878 0.003 . 1 . . . . 1865 SER H . 16045 1 1145 . 1 1 97 97 SER HA H 1 4.178 0.004 . 1 . . . . 1865 SER HA . 16045 1 1146 . 1 1 97 97 SER HB2 H 1 3.757 0.008 . 2 . . . . 1865 SER QB . 16045 1 1147 . 1 1 97 97 SER HB3 H 1 3.757 0.008 . 2 . . . . 1865 SER QB . 16045 1 1148 . 1 1 97 97 SER CA C 13 57.696 0.063 . 1 . . . . 1865 SER CA . 16045 1 1149 . 1 1 97 97 SER CB C 13 62.424 0.076 . 1 . . . . 1865 SER CB . 16045 1 1150 . 1 1 97 97 SER N N 15 121.936 0.02 . 1 . . . . 1865 SER N . 16045 1 stop_ save_