data_7249 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 7249 _Entry.Title ; Complete 1H, 13C, and 15N Chemical Shift Assignments for the 15.5K Protein ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2006-08-02 _Entry.Accession_date 2006-08-03 _Entry.Last_release_date . _Entry.Original_release_date . _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version . _Entry.Experimental_method NMR _Entry.Experimental_method_subtype . _Entry.Details . _Entry.BMRB_internal_directory_name . loop_ _Entry_author.Ordinal _Entry_author.Given_name _Entry_author.Family_name _Entry_author.First_initial _Entry_author.Middle_initials _Entry_author.Family_title _Entry_author.Entry_ID 1 Sarah Soss . E. . 7249 2 Peter Flynn . F. . 7249 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 7249 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 557 7249 '15N chemical shifts' 130 7249 '1H chemical shifts' 915 7249 stop_ loop_ _Release.Release_number _Release.Format_type _Release.Format_version _Release.Date _Release.Submission_date _Release.Type _Release.Author _Release.Detail _Release.Entry_ID 2 . . 2008-07-16 2006-08-02 update BMRB 'complete entry citation' 7249 1 . . 2006-12-04 2006-08-02 original author 'original release' 7249 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 7249 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 17122951 _Citation.Full_citation . _Citation.Title 'NMR assignment of the human spliceosomeal 15.5K protein' _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'J. Biomol. NMR' _Citation.Journal_name_full . _Citation.Journal_volume 38 _Citation.Journal_issue 2 _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 175 _Citation.Page_last 175 _Citation.Year 2007 _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 Sarah Soss . E. . 7249 1 2 Peter Flynn . F. . 7249 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 7249 _Assembly.ID 1 _Assembly.Name His-15.5K _Assembly.BMRB_code . _Assembly.Number_of_components 1 _Assembly.Organic_ligands 0 _Assembly.Metal_ions 0 _Assembly.Non_standard_bonds . _Assembly.Ambiguous_conformational_states no _Assembly.Ambiguous_chem_comp_sites no _Assembly.Molecules_in_chemical_exchange no _Assembly.Paramagnetic no _Assembly.Thiol_state 'all free' _Assembly.Molecular_mass 16000 _Assembly.Enzyme_commission_number . _Assembly.Details 'The human 15.5K protein with N-terminal 6x His tag' _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Assembly_type.Type _Assembly_type.Entry_ID _Assembly_type.Assembly_ID protein 7249 1 stop_ loop_ _Entity_assembly.ID _Entity_assembly.Entity_assembly_name _Entity_assembly.Entity_ID _Entity_assembly.Entity_label _Entity_assembly.Asym_ID _Entity_assembly.PDB_chain_ID _Entity_assembly.Experimental_data_reported _Entity_assembly.Physical_state _Entity_assembly.Conformational_isomer _Entity_assembly.Chemical_exchange_state _Entity_assembly.Magnetic_equivalence_group_code _Entity_assembly.Role _Entity_assembly.Details _Entity_assembly.Entry_ID _Entity_assembly.Assembly_ID 1 His-15.5K 1 $15_5K_protein . . yes native no no . . . 7249 1 stop_ loop_ _Assembly_bio_function.Biological_function _Assembly_bio_function.Entry_ID _Assembly_bio_function.Assembly_ID 'component of U4 snRNP' 7249 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_15_5K_protein _Entity.Sf_category entity _Entity.Sf_framecode 15_5K_protein _Entity.Entry_ID 7249 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name His-15.5K _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID . _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; MGHHHHHHSSGIEEGRMTEA DVNPKAYPLADAHLTKKLLD LVQQSCNYKQLRKGANEATK TLNRGISEFIVMAADAEPLE IILHLPLLCEDKNVPYVFVR SKQALGRACGVSRPVIACSV TIKEGSQLKQQIQSIQQSIE RLLV ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states no _Entity.Ambiguous_chem_comp_sites no _Entity.Nstd_monomer no _Entity.Nstd_chirality no _Entity.Nstd_linkage no _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 144 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'all free' _Entity.Src_method . _Entity.Parent_entity_ID 1 _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 16000 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date 2015-01-28 loop_ _Entity_db_link.Ordinal _Entity_db_link.Author_supplied _Entity_db_link.Database_code _Entity_db_link.Accession_code _Entity_db_link.Entry_mol_code _Entity_db_link.Entry_mol_name _Entity_db_link.Entry_experimental_method _Entity_db_link.Entry_structure_resolution _Entity_db_link.Entry_relation_type _Entity_db_link.Entry_details _Entity_db_link.Chimera_segment_ID _Entity_db_link.Seq_query_to_submitted_percent _Entity_db_link.Seq_subject_length _Entity_db_link.Seq_identity _Entity_db_link.Seq_positive _Entity_db_link.Seq_homology_expectation_val _Entity_db_link.Seq_align_begin _Entity_db_link.Seq_align_end _Entity_db_link.Seq_difference_details _Entity_db_link.Seq_alignment_details _Entity_db_link.Entry_ID _Entity_db_link.Entity_ID 1 no BMRB 15445 . 15.5K . . . . . 100.00 144 100.00 100.00 9.40e-101 . . . . 7249 1 2 no PDB 1E7K . "Crystal Structure Of The Spliceosomal 15.5kd Protein Bound To A U4 Snrna Fragment" . . . . . 88.89 128 100.00 100.00 4.19e-87 . . . . 7249 1 3 no PDB 2JNB . "Solution Structure Of Rna-Binding Protein 15.5k" . . . . . 100.00 144 100.00 100.00 9.40e-101 . . . . 7249 1 4 no PDB 2OZB . "Structure Of A Human Prp31-15.5k-U4 Snrna Complex" . . . . . 90.28 130 99.23 99.23 5.81e-88 . . . . 7249 1 5 no PDB 3SIU . "Structure Of A Hprp31-15.5k-U4atac 5' Stem Loop Complex, Monomeric Form" . . . . . 90.28 130 99.23 99.23 5.81e-88 . . . . 7249 1 6 no PDB 3SIV . "Structure Of A Hprp31-15.5k-U4atac 5' Stem Loop Complex, Dimeric Form" . . . . . 90.28 130 99.23 99.23 5.81e-88 . . . . 7249 1 7 no DBJ BAA23363 . "OTK27 [Homo sapiens]" . . . . . 88.89 128 100.00 100.00 4.19e-87 . . . . 7249 1 8 no DBJ BAB23329 . "unnamed protein product [Mus musculus]" . . . . . 88.89 128 99.22 100.00 9.83e-87 . . . . 7249 1 9 no DBJ BAE01699 . "unnamed protein product [Macaca fascicularis]" . . . . . 88.89 128 100.00 100.00 4.19e-87 . . . . 7249 1 10 no DBJ BAE22349 . "unnamed protein product [Mus musculus]" . . . . . 88.89 128 100.00 100.00 4.19e-87 . . . . 7249 1 11 no DBJ BAE26537 . "unnamed protein product [Mus musculus]" . . . . . 88.89 128 100.00 100.00 4.19e-87 . . . . 7249 1 12 no EMBL CAG30417 . "NHP2L1 [Homo sapiens]" . . . . . 88.89 128 100.00 100.00 4.19e-87 . . . . 7249 1 13 no EMBL CAG46526 . "NHP2L1 [Homo sapiens]" . . . . . 88.89 128 100.00 100.00 4.19e-87 . . . . 7249 1 14 no EMBL CAK54562 . "NHP2L1 [synthetic construct]" . . . . . 88.89 128 100.00 100.00 4.19e-87 . . . . 7249 1 15 no EMBL CAK54861 . "NHP2L1 [synthetic construct]" . . . . . 88.89 128 100.00 100.00 4.19e-87 . . . . 7249 1 16 no GB AAC72945 . "OTK27 [Homo sapiens]" . . . . . 88.89 128 100.00 100.00 4.19e-87 . . . . 7249 1 17 no GB AAF06959 . "15.5 kD RNA binding protein [Homo sapiens]" . . . . . 88.89 128 100.00 100.00 4.19e-87 . . . . 7249 1 18 no GB AAH05358 . "NHP2 non-histone chromosome protein 2-like 1 (S. cerevisiae) [Homo sapiens]" . . . . . 88.89 128 100.00 100.00 4.19e-87 . . . . 7249 1 19 no GB AAH19282 . "NHP2L1 protein, partial [Homo sapiens]" . . . . . 88.89 128 100.00 100.00 4.19e-87 . . . . 7249 1 20 no GB AAH26755 . "NHP2 non-histone chromosome protein 2-like 1 (S. cerevisiae) [Mus musculus]" . . . . . 88.89 128 100.00 100.00 4.19e-87 . . . . 7249 1 21 no PRF 2210268A . "nuclear protein-NHP2-like protein" . . . . . 88.89 128 100.00 100.00 4.19e-87 . . . . 7249 1 22 no REF NP_001003796 . "NHP2-like protein 1 [Homo sapiens]" . . . . . 88.89 128 100.00 100.00 4.19e-87 . . . . 7249 1 23 no REF NP_001070472 . "NHP2-like protein 1 [Bos taurus]" . . . . . 88.89 128 100.00 100.00 4.19e-87 . . . . 7249 1 24 no REF NP_001177155 . "NHP2 non-histone chromosome protein 2-like 1 [Sus scrofa]" . . . . . 88.89 128 100.00 100.00 4.19e-87 . . . . 7249 1 25 no REF NP_001177156 . "NHP2 non-histone chromosome protein 2-like 1 [Sus scrofa]" . . . . . 88.89 128 100.00 100.00 4.19e-87 . . . . 7249 1 26 no REF NP_001271884 . "NHP2-like protein 1 [Macaca fascicularis]" . . . . . 88.89 128 100.00 100.00 4.19e-87 . . . . 7249 1 27 no SP P55769 . "RecName: Full=NHP2-like protein 1; AltName: Full=High mobility group-like nuclear protein 2 homolog 1; AltName: Full=OTK27; Alt" . . . . . 88.89 128 100.00 100.00 4.19e-87 . . . . 7249 1 28 no SP P55770 . "RecName: Full=NHP2-like protein 1; AltName: Full=High mobility group-like nuclear protein 2 homolog 1; AltName: Full=OTK27; Alt" . . . . . 88.89 128 100.00 100.00 4.19e-87 . . . . 7249 1 29 no SP Q3B8S0 . "RecName: Full=NHP2-like protein 1; AltName: Full=High mobility group-like nuclear protein 2 homolog 1; AltName: Full=U4/U6.U5 t" . . . . . 88.89 128 100.00 100.00 4.19e-87 . . . . 7249 1 30 no SP Q4R5C6 . "RecName: Full=NHP2-like protein 1; AltName: Full=High mobility group-like nuclear protein 2 homolog 1; AltName: Full=U4/U6.U5 t" . . . . . 88.89 128 100.00 100.00 4.19e-87 . . . . 7249 1 31 no SP Q9D0T1 . "RecName: Full=NHP2-like protein 1; AltName: Full=Fertilization antigen 1; Short=FA-1; AltName: Full=High mobility group-like nu" . . . . . 88.89 128 100.00 100.00 4.19e-87 . . . . 7249 1 32 no TPG DAA29093 . "TPA: NHP2-like protein 1 [Bos taurus]" . . . . . 88.89 128 100.00 100.00 4.19e-87 . . . . 7249 1 stop_ loop_ _Entity_biological_function.Biological_function _Entity_biological_function.Entry_ID _Entity_biological_function.Entity_ID 'component of U4 snRNP' 7249 1 stop_ loop_ _Entity_common_name.Name _Entity_common_name.Type _Entity_common_name.Entry_ID _Entity_common_name.Entity_ID 15.5K . 7249 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 -15 MET . 7249 1 2 -14 GLY . 7249 1 3 -13 HIS . 7249 1 4 -12 HIS . 7249 1 5 -11 HIS . 7249 1 6 -10 HIS . 7249 1 7 -9 HIS . 7249 1 8 -8 HIS . 7249 1 9 -7 SER . 7249 1 10 -6 SER . 7249 1 11 -5 GLY . 7249 1 12 -4 ILE . 7249 1 13 -3 GLU . 7249 1 14 -2 GLU . 7249 1 15 -1 GLY . 7249 1 16 0 ARG . 7249 1 17 1 MET . 7249 1 18 2 THR . 7249 1 19 3 GLU . 7249 1 20 4 ALA . 7249 1 21 5 ASP . 7249 1 22 6 VAL . 7249 1 23 7 ASN . 7249 1 24 8 PRO . 7249 1 25 9 LYS . 7249 1 26 10 ALA . 7249 1 27 11 TYR . 7249 1 28 12 PRO . 7249 1 29 13 LEU . 7249 1 30 14 ALA . 7249 1 31 15 ASP . 7249 1 32 16 ALA . 7249 1 33 17 HIS . 7249 1 34 18 LEU . 7249 1 35 19 THR . 7249 1 36 20 LYS . 7249 1 37 21 LYS . 7249 1 38 22 LEU . 7249 1 39 23 LEU . 7249 1 40 24 ASP . 7249 1 41 25 LEU . 7249 1 42 26 VAL . 7249 1 43 27 GLN . 7249 1 44 28 GLN . 7249 1 45 29 SER . 7249 1 46 30 CYS . 7249 1 47 31 ASN . 7249 1 48 32 TYR . 7249 1 49 33 LYS . 7249 1 50 34 GLN . 7249 1 51 35 LEU . 7249 1 52 36 ARG . 7249 1 53 37 LYS . 7249 1 54 38 GLY . 7249 1 55 39 ALA . 7249 1 56 40 ASN . 7249 1 57 41 GLU . 7249 1 58 42 ALA . 7249 1 59 43 THR . 7249 1 60 44 LYS . 7249 1 61 45 THR . 7249 1 62 46 LEU . 7249 1 63 47 ASN . 7249 1 64 48 ARG . 7249 1 65 49 GLY . 7249 1 66 50 ILE . 7249 1 67 51 SER . 7249 1 68 52 GLU . 7249 1 69 53 PHE . 7249 1 70 54 ILE . 7249 1 71 55 VAL . 7249 1 72 56 MET . 7249 1 73 57 ALA . 7249 1 74 58 ALA . 7249 1 75 59 ASP . 7249 1 76 60 ALA . 7249 1 77 61 GLU . 7249 1 78 62 PRO . 7249 1 79 63 LEU . 7249 1 80 64 GLU . 7249 1 81 65 ILE . 7249 1 82 66 ILE . 7249 1 83 67 LEU . 7249 1 84 68 HIS . 7249 1 85 69 LEU . 7249 1 86 70 PRO . 7249 1 87 71 LEU . 7249 1 88 72 LEU . 7249 1 89 73 CYS . 7249 1 90 74 GLU . 7249 1 91 75 ASP . 7249 1 92 76 LYS . 7249 1 93 77 ASN . 7249 1 94 78 VAL . 7249 1 95 79 PRO . 7249 1 96 80 TYR . 7249 1 97 81 VAL . 7249 1 98 82 PHE . 7249 1 99 83 VAL . 7249 1 100 84 ARG . 7249 1 101 85 SER . 7249 1 102 86 LYS . 7249 1 103 87 GLN . 7249 1 104 88 ALA . 7249 1 105 89 LEU . 7249 1 106 90 GLY . 7249 1 107 91 ARG . 7249 1 108 92 ALA . 7249 1 109 93 CYS . 7249 1 110 94 GLY . 7249 1 111 95 VAL . 7249 1 112 96 SER . 7249 1 113 97 ARG . 7249 1 114 98 PRO . 7249 1 115 99 VAL . 7249 1 116 100 ILE . 7249 1 117 101 ALA . 7249 1 118 102 CYS . 7249 1 119 103 SER . 7249 1 120 104 VAL . 7249 1 121 105 THR . 7249 1 122 106 ILE . 7249 1 123 107 LYS . 7249 1 124 108 GLU . 7249 1 125 109 GLY . 7249 1 126 110 SER . 7249 1 127 111 GLN . 7249 1 128 112 LEU . 7249 1 129 113 LYS . 7249 1 130 114 GLN . 7249 1 131 115 GLN . 7249 1 132 116 ILE . 7249 1 133 117 GLN . 7249 1 134 118 SER . 7249 1 135 119 ILE . 7249 1 136 120 GLN . 7249 1 137 121 GLN . 7249 1 138 122 SER . 7249 1 139 123 ILE . 7249 1 140 124 GLU . 7249 1 141 125 ARG . 7249 1 142 126 LEU . 7249 1 143 127 LEU . 7249 1 144 128 VAL . 7249 1 stop_ loop_ _Entity_poly_seq.Hetero _Entity_poly_seq.Mon_ID _Entity_poly_seq.Num _Entity_poly_seq.Comp_index_ID _Entity_poly_seq.Entry_ID _Entity_poly_seq.Entity_ID . MET 1 1 7249 1 . GLY 2 2 7249 1 . HIS 3 3 7249 1 . HIS 4 4 7249 1 . HIS 5 5 7249 1 . HIS 6 6 7249 1 . HIS 7 7 7249 1 . HIS 8 8 7249 1 . SER 9 9 7249 1 . SER 10 10 7249 1 . GLY 11 11 7249 1 . ILE 12 12 7249 1 . GLU 13 13 7249 1 . GLU 14 14 7249 1 . GLY 15 15 7249 1 . ARG 16 16 7249 1 . MET 17 17 7249 1 . THR 18 18 7249 1 . GLU 19 19 7249 1 . ALA 20 20 7249 1 . ASP 21 21 7249 1 . VAL 22 22 7249 1 . ASN 23 23 7249 1 . PRO 24 24 7249 1 . LYS 25 25 7249 1 . ALA 26 26 7249 1 . TYR 27 27 7249 1 . PRO 28 28 7249 1 . LEU 29 29 7249 1 . ALA 30 30 7249 1 . ASP 31 31 7249 1 . ALA 32 32 7249 1 . HIS 33 33 7249 1 . LEU 34 34 7249 1 . THR 35 35 7249 1 . LYS 36 36 7249 1 . LYS 37 37 7249 1 . LEU 38 38 7249 1 . LEU 39 39 7249 1 . ASP 40 40 7249 1 . LEU 41 41 7249 1 . VAL 42 42 7249 1 . GLN 43 43 7249 1 . GLN 44 44 7249 1 . SER 45 45 7249 1 . CYS 46 46 7249 1 . ASN 47 47 7249 1 . TYR 48 48 7249 1 . LYS 49 49 7249 1 . GLN 50 50 7249 1 . LEU 51 51 7249 1 . ARG 52 52 7249 1 . LYS 53 53 7249 1 . GLY 54 54 7249 1 . ALA 55 55 7249 1 . ASN 56 56 7249 1 . GLU 57 57 7249 1 . ALA 58 58 7249 1 . THR 59 59 7249 1 . LYS 60 60 7249 1 . THR 61 61 7249 1 . LEU 62 62 7249 1 . ASN 63 63 7249 1 . ARG 64 64 7249 1 . GLY 65 65 7249 1 . ILE 66 66 7249 1 . SER 67 67 7249 1 . GLU 68 68 7249 1 . PHE 69 69 7249 1 . ILE 70 70 7249 1 . VAL 71 71 7249 1 . MET 72 72 7249 1 . ALA 73 73 7249 1 . ALA 74 74 7249 1 . ASP 75 75 7249 1 . ALA 76 76 7249 1 . GLU 77 77 7249 1 . PRO 78 78 7249 1 . LEU 79 79 7249 1 . GLU 80 80 7249 1 . ILE 81 81 7249 1 . ILE 82 82 7249 1 . LEU 83 83 7249 1 . HIS 84 84 7249 1 . LEU 85 85 7249 1 . PRO 86 86 7249 1 . LEU 87 87 7249 1 . LEU 88 88 7249 1 . CYS 89 89 7249 1 . GLU 90 90 7249 1 . ASP 91 91 7249 1 . LYS 92 92 7249 1 . ASN 93 93 7249 1 . VAL 94 94 7249 1 . PRO 95 95 7249 1 . TYR 96 96 7249 1 . VAL 97 97 7249 1 . PHE 98 98 7249 1 . VAL 99 99 7249 1 . ARG 100 100 7249 1 . SER 101 101 7249 1 . LYS 102 102 7249 1 . GLN 103 103 7249 1 . ALA 104 104 7249 1 . LEU 105 105 7249 1 . GLY 106 106 7249 1 . ARG 107 107 7249 1 . ALA 108 108 7249 1 . CYS 109 109 7249 1 . GLY 110 110 7249 1 . VAL 111 111 7249 1 . SER 112 112 7249 1 . ARG 113 113 7249 1 . PRO 114 114 7249 1 . VAL 115 115 7249 1 . ILE 116 116 7249 1 . ALA 117 117 7249 1 . CYS 118 118 7249 1 . SER 119 119 7249 1 . VAL 120 120 7249 1 . THR 121 121 7249 1 . ILE 122 122 7249 1 . LYS 123 123 7249 1 . GLU 124 124 7249 1 . GLY 125 125 7249 1 . SER 126 126 7249 1 . GLN 127 127 7249 1 . LEU 128 128 7249 1 . LYS 129 129 7249 1 . GLN 130 130 7249 1 . GLN 131 131 7249 1 . ILE 132 132 7249 1 . GLN 133 133 7249 1 . SER 134 134 7249 1 . ILE 135 135 7249 1 . GLN 136 136 7249 1 . GLN 137 137 7249 1 . SER 138 138 7249 1 . ILE 139 139 7249 1 . GLU 140 140 7249 1 . ARG 141 141 7249 1 . LEU 142 142 7249 1 . LEU 143 143 7249 1 . VAL 144 144 7249 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 7249 _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 $15_5K_protein . 9606 organism no 'Homo sapiens' Human . . Eukaryota Metazoa Homo sapiens . . . . . . . . . . . . . . . . . . . . . 7249 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 7249 _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 $15_5K_protein . 'recombinant technology' . 'E. coli' . . Escherichia coli 'BL21 (DE3)' . . . . . . . . . . . . plasmid . . pET11a . . . . . . 7249 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_2 _Sample.Sf_category sample _Sample.Sf_framecode sample_2 _Sample.Entry_ID 7249 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details 'Sample first used for backbone assignment' _Sample.Aggregate_sample_number . _Sample.Solvent_system . _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 His-15.5K '[U-98% 13C; U-98% 15N]' . . 1 $15_5K_protein . protein 0.9 . . mM 0.1 . . . 7249 1 2 'sodium phosphate' . . . . . . buffer 50 . . mM 5 . . . 7249 1 3 'sodium chloride' . . . . . . salt 200 . . mM 20 . . . 7249 1 4 'sodium azide' . . . . . . salt 0.1 . . 'w/w %' 0.1 . . . 7249 1 stop_ save_ save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 7249 _Sample.ID 2 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system . _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 His-15.5K '[U-98% 13C; U-98% 15N]' . . 1 $15_5K_protein . protein 1.6 . . mM 0.2 . . . 7249 2 2 'sodium phosphate' . . . . . . buffer 100 . . mM 10 . . . 7249 2 3 'sodium chloride' . . . . . . salt 100 . . mM 10 . . . 7249 2 4 'sodium azide' . . . . . . salt 0.1 . . 'w/w %' 0.1 . . . 7249 2 stop_ save_ ####################### # Sample conditions # ####################### save_conditions_2 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode conditions_2 _Sample_condition_list.Entry_ID 7249 _Sample_condition_list.ID 1 _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID pH 6.0 0.05 pH 7249 1 temperature 297 0.1 K 7249 1 stop_ save_ save_conditions_1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode conditions_1 _Sample_condition_list.Entry_ID 7249 _Sample_condition_list.ID 2 _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID pH 6.0 0.05 pH 7249 2 temperature 293 0.1 K 7249 2 stop_ save_ ############################ # Computer software used # ############################ save_Felix _Software.Sf_category software _Software.Sf_framecode Felix _Software.Entry_ID 7249 _Software.ID 1 _Software.Name FELIX _Software.Version 97.0 _Software.Details . loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'raw data processing' 7249 1 stop_ save_ save_Sparky _Software.Sf_category software _Software.Sf_framecode Sparky _Software.Entry_ID 7249 _Software.ID 2 _Software.Name SPARKY _Software.Version . _Software.Details . loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'peak picking and assignment' 7249 2 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_UofUbiochem_600MHz _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode UofUbiochem_600MHz _NMR_spectrometer.Entry_ID 7249 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details 'University of Utah Dept of Biochemistry 600 MHz with cold probe' _NMR_spectrometer.Manufacturer Varian _NMR_spectrometer.Model Inova _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ save_EMSL_PNNL _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode EMSL_PNNL _NMR_spectrometer.Entry_ID 7249 _NMR_spectrometer.ID 2 _NMR_spectrometer.Details 'EMSL 600 MHz equipped with cold probe' _NMR_spectrometer.Manufacturer Varian _NMR_spectrometer.Model Inova _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ ############################# # NMR applied experiments # ############################# save_NMR_experiment_list _Experiment_list.Sf_category experiment_list _Experiment_list.Sf_framecode NMR_experiment_list _Experiment_list.Entry_ID 7249 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NMR_spec_expt_ID _Experiment.NMR_spec_expt_label _Experiment.MS_expt_ID _Experiment.MS_expt_label _Experiment.SAXS_expt_ID _Experiment.SAXS_expt_label _Experiment.FRET_expt_ID _Experiment.FRET_expt_label _Experiment.EMR_expt_ID _Experiment.EMR_expt_label _Experiment.Sample_ID _Experiment.Sample_label _Experiment.Sample_state _Experiment.Sample_volume _Experiment.Sample_volume_units _Experiment.Sample_condition_list_ID _Experiment.Sample_condition_list_label _Experiment.Sample_spinning_rate _Experiment.Sample_angle _Experiment.NMR_tube_type _Experiment.NMR_spectrometer_ID _Experiment.NMR_spectrometer_label _Experiment.NMR_spectrometer_probe_ID _Experiment.NMR_spectrometer_probe_label _Experiment.NMR_spectral_processing_ID _Experiment.NMR_spectral_processing_label _Experiment.Mass_spectrometer_ID _Experiment.Mass_spectrometer_label _Experiment.Xray_instrument_ID _Experiment.Xray_instrument_label _Experiment.Fluorescence_instrument_ID _Experiment.Fluorescence_instrument_label _Experiment.EMR_instrument_ID _Experiment.EMR_instrument_label _Experiment.Chromatographic_system_ID _Experiment.Chromatographic_system_label _Experiment.Chromatographic_column_ID _Experiment.Chromatographic_column_label _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 HNCACB no . . . . . . . . . . 1 $sample_2 . . . 1 $conditions_2 . . . 2 $EMSL_PNNL . . . . . . . . . . . . . . . . 7249 1 2 CBCA_CO_NH no . . . . . . . . . . 1 $sample_2 . . . 1 $conditions_2 . . . 2 $EMSL_PNNL . . . . . . . . . . . . . . . . 7249 1 3 HNCA no . . . . . . . . . . 1 $sample_2 . . . 1 $conditions_2 . . . 2 $EMSL_PNNL . . . . . . . . . . . . . . . . 7249 1 4 HN_CO_CA no . . . . . . . . . . 1 $sample_2 . . . 1 $conditions_2 . . . 2 $EMSL_PNNL . . . . . . . . . . . . . . . . 7249 1 5 HCCH-COSY no . . . . . . . . . . 2 $sample_1 . . . 2 $conditions_1 . . . 1 $UofUbiochem_600MHz . . . . . . . . . . . . . . . . 7249 1 6 HCCH-TOCSY no . . . . . . . . . . 2 $sample_1 . . . 2 $conditions_1 . . . 1 $UofUbiochem_600MHz . . . . . . . . . . . . . . . . 7249 1 7 HBHA_CCO_NH no . . . . . . . . . . 2 $sample_1 . . . 2 $conditions_1 . . . 1 $UofUbiochem_600MHz . . . . . . . . . . . . . . . . 7249 1 8 C_CO_NH no . . . . . . . . . . 2 $sample_1 . . . 2 $conditions_1 . . . 1 $UofUbiochem_600MHz . . . . . . . . . . . . . . . . 7249 1 9 HNCO no . . . . . . . . . . 1 $sample_2 . . . 1 $conditions_2 . . . 2 $EMSL_PNNL . . . . . . . . . . . . . . . . 7249 1 10 1H15N_HSQC no . . . . . . . . . . 2 $sample_1 . . . 2 $conditions_1 . . . 1 $UofUbiochem_600MHz . . . . . . . . . . . . . . . . 7249 1 11 1H13C_HSQC no . . . . . . . . . . 2 $sample_1 . . . 2 $conditions_1 . . . 1 $UofUbiochem_600MHz . . . . . . . . . . . . . . . . 7249 1 stop_ save_ save_HNCACB _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode HNCACB _NMR_spec_expt.Entry_ID 7249 _NMR_spec_expt.ID 1 _NMR_spec_expt.Name HNCACB _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID 2 _NMR_spec_expt.NMR_spectrometer_label $EMSL_PNNL _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_CBCA_CO_NH _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode CBCA_CO_NH _NMR_spec_expt.Entry_ID 7249 _NMR_spec_expt.ID 2 _NMR_spec_expt.Name CBCA_CO_NH _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID 2 _NMR_spec_expt.NMR_spectrometer_label $EMSL_PNNL _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_HNCA _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode HNCA _NMR_spec_expt.Entry_ID 7249 _NMR_spec_expt.ID 3 _NMR_spec_expt.Name HNCA _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID 2 _NMR_spec_expt.NMR_spectrometer_label $EMSL_PNNL _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_HN_CO_CA _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode HN_CO_CA _NMR_spec_expt.Entry_ID 7249 _NMR_spec_expt.ID 4 _NMR_spec_expt.Name HN_CO_CA _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID 2 _NMR_spec_expt.NMR_spectrometer_label $EMSL_PNNL _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_HCCH-COSY _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode HCCH-COSY _NMR_spec_expt.Entry_ID 7249 _NMR_spec_expt.ID 5 _NMR_spec_expt.Name HCCH-COSY _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID 1 _NMR_spec_expt.NMR_spectrometer_label $UofUbiochem_600MHz _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_HCCH-TOCSY _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode HCCH-TOCSY _NMR_spec_expt.Entry_ID 7249 _NMR_spec_expt.ID 6 _NMR_spec_expt.Name HCCH-TOCSY _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID 1 _NMR_spec_expt.NMR_spectrometer_label $UofUbiochem_600MHz _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_HBHA_CCO_NH _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode HBHA_CCO_NH _NMR_spec_expt.Entry_ID 7249 _NMR_spec_expt.ID 7 _NMR_spec_expt.Name HBHA_CCO_NH _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID 1 _NMR_spec_expt.NMR_spectrometer_label $UofUbiochem_600MHz _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_C_CO_NH _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode C_CO_NH _NMR_spec_expt.Entry_ID 7249 _NMR_spec_expt.ID 8 _NMR_spec_expt.Name C_CO_NH _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID 1 _NMR_spec_expt.NMR_spectrometer_label $UofUbiochem_600MHz _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_HNCO _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode HNCO _NMR_spec_expt.Entry_ID 7249 _NMR_spec_expt.ID 9 _NMR_spec_expt.Name HNCO _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID 2 _NMR_spec_expt.NMR_spectrometer_label $EMSL_PNNL _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_1H15N_HSQC _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode 1H15N_HSQC _NMR_spec_expt.Entry_ID 7249 _NMR_spec_expt.ID 10 _NMR_spec_expt.Name 1H15N_HSQC _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID 1 _NMR_spec_expt.NMR_spectrometer_label $UofUbiochem_600MHz _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_1H13C_HSQC _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode 1H13C_HSQC _NMR_spec_expt.Entry_ID 7249 _NMR_spec_expt.ID 11 _NMR_spec_expt.Name 1H13C_HSQC _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID 1 _NMR_spec_expt.NMR_spectrometer_label $UofUbiochem_600MHz _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_referencing _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chemical_shift_referencing _Chem_shift_reference.Entry_ID 7249 _Chem_shift_reference.ID 1 _Chem_shift_reference.Details . loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Indirect_shift_ratio_cit_ID _Chem_shift_ref.Indirect_shift_ratio_cit_label _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Correction_val_cit_ID _Chem_shift_ref.Correction_val_cit_label _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C 13 DSS 'methyl protons' . . . . ppm 0.0 . indirect 0.251449530 . . . 1 $entry_citation . . 1 $entry_citation 7249 1 H 1 DSS 'methyl protons' . . . . ppm 0.0 internal direct 1.0 . . . 1 $entry_citation . . 1 $entry_citation 7249 1 N 15 DSS 'methyl protons' . . . . ppm 0.0 . indirect 0.101329118 . . . 1 $entry_citation . . 1 $entry_citation 7249 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_chem_shift_list_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode chem_shift_list_1 _Assigned_chem_shift_list.Entry_ID 7249 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 2 _Assigned_chem_shift_list.Sample_condition_list_label $conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_referencing _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 HNCACB 1 $sample_2 isotropic 7249 1 2 CBCA_CO_NH 1 $sample_2 isotropic 7249 1 3 HNCA 1 $sample_2 isotropic 7249 1 4 HN_CO_CA 1 $sample_2 isotropic 7249 1 5 HCCH-COSY 2 $sample_1 isotropic 7249 1 6 HCCH-TOCSY 2 $sample_1 isotropic 7249 1 7 HBHA_CCO_NH 2 $sample_1 isotropic 7249 1 8 C_CO_NH 2 $sample_1 isotropic 7249 1 9 HNCO 2 $sample_1 isotropic 7249 1 10 1H15N_HSQC 2 $sample_1 isotropic 7249 1 11 1H13C_HSQC 2 $sample_1 isotropic 7249 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 9 9 SER HA H 1 4.486 0.003 . 1 . . . . -7 SER HA . 7249 1 2 . 1 1 9 9 SER HB2 H 1 3.894 0.004 . 1 . . . . -7 SER QB . 7249 1 3 . 1 1 9 9 SER HB3 H 1 3.894 0.004 . 1 . . . . -7 SER QB . 7249 1 4 . 1 1 9 9 SER C C 13 174.520 0.200 . 1 . . . . -7 SER C . 7249 1 5 . 1 1 9 9 SER CA C 13 58.412 0.039 . 1 . . . . -7 SER CA . 7249 1 6 . 1 1 9 9 SER CB C 13 63.801 0.036 . 1 . . . . -7 SER CB . 7249 1 7 . 1 1 10 10 SER H H 1 8.568 0.028 . 1 . . . . -6 SER H . 7249 1 8 . 1 1 10 10 SER HA H 1 4.489 0.004 . 1 . . . . -6 SER HA . 7249 1 9 . 1 1 10 10 SER HB2 H 1 3.905 0.005 . 1 . . . . -6 SER QB . 7249 1 10 . 1 1 10 10 SER HB3 H 1 3.905 0.005 . 1 . . . . -6 SER QB . 7249 1 11 . 1 1 10 10 SER C C 13 174.978 0.200 . 1 . . . . -6 SER C . 7249 1 12 . 1 1 10 10 SER CA C 13 58.634 0.099 . 1 . . . . -6 SER CA . 7249 1 13 . 1 1 10 10 SER CB C 13 63.921 0.078 . 1 . . . . -6 SER CB . 7249 1 14 . 1 1 10 10 SER N N 15 118.143 0.060 . 1 . . . . -6 SER N . 7249 1 15 . 1 1 11 11 GLY H H 1 8.463 0.014 . 1 . . . . -5 GLY H . 7249 1 16 . 1 1 11 11 GLY HA2 H 1 3.999 0.004 . 1 . . . . -5 GLY QA . 7249 1 17 . 1 1 11 11 GLY HA3 H 1 3.999 0.004 . 1 . . . . -5 GLY QA . 7249 1 18 . 1 1 11 11 GLY C C 13 174.233 0.200 . 1 . . . . -5 GLY C . 7249 1 19 . 1 1 11 11 GLY CA C 13 45.371 0.040 . 1 . . . . -5 GLY CA . 7249 1 20 . 1 1 11 11 GLY N N 15 110.808 0.083 . 1 . . . . -5 GLY N . 7249 1 21 . 1 1 12 12 ILE H H 1 8.038 0.018 . 1 . . . . -4 ILE H . 7249 1 22 . 1 1 12 12 ILE HA H 1 4.152 0.004 . 1 . . . . -4 ILE HA . 7249 1 23 . 1 1 12 12 ILE HB H 1 1.854 0.003 . 1 . . . . -4 ILE HB . 7249 1 24 . 1 1 12 12 ILE HG12 H 1 1.156 0.007 . 2 . . . . -4 ILE HG12 . 7249 1 25 . 1 1 12 12 ILE HG13 H 1 1.416 0.007 . 2 . . . . -4 ILE HG13 . 7249 1 26 . 1 1 12 12 ILE HG21 H 1 0.888 0.006 . 1 . . . . -4 ILE HG2 . 7249 1 27 . 1 1 12 12 ILE HG22 H 1 0.888 0.006 . 1 . . . . -4 ILE HG2 . 7249 1 28 . 1 1 12 12 ILE HG23 H 1 0.888 0.006 . 1 . . . . -4 ILE HG2 . 7249 1 29 . 1 1 12 12 ILE HD11 H 1 0.843 0.001 . 1 . . . . -4 ILE HD1 . 7249 1 30 . 1 1 12 12 ILE HD12 H 1 0.843 0.001 . 1 . . . . -4 ILE HD1 . 7249 1 31 . 1 1 12 12 ILE HD13 H 1 0.843 0.001 . 1 . . . . -4 ILE HD1 . 7249 1 32 . 1 1 12 12 ILE C C 13 176.464 0.200 . 1 . . . . -4 ILE C . 7249 1 33 . 1 1 12 12 ILE CA C 13 61.503 0.095 . 1 . . . . -4 ILE CA . 7249 1 34 . 1 1 12 12 ILE CB C 13 38.736 0.063 . 1 . . . . -4 ILE CB . 7249 1 35 . 1 1 12 12 ILE CG1 C 13 27.280 0.060 . 1 . . . . -4 ILE CG1 . 7249 1 36 . 1 1 12 12 ILE CG2 C 13 17.527 0.051 . 1 . . . . -4 ILE CG2 . 7249 1 37 . 1 1 12 12 ILE CD1 C 13 13.116 0.019 . 1 . . . . -4 ILE CD1 . 7249 1 38 . 1 1 12 12 ILE N N 15 119.753 0.022 . 1 . . . . -4 ILE N . 7249 1 39 . 1 1 13 13 GLU H H 1 8.608 0.017 . 1 . . . . -3 GLU H . 7249 1 40 . 1 1 13 13 GLU HA H 1 4.278 0.025 . 1 . . . . -3 GLU HA . 7249 1 41 . 1 1 13 13 GLU HB2 H 1 1.826 0.025 . 1 . . . . -3 GLU HB . 7249 1 42 . 1 1 13 13 GLU HB3 H 1 1.826 0.025 . 1 . . . . -3 GLU HB . 7249 1 43 . 1 1 13 13 GLU CA C 13 57.219 0.052 . 1 . . . . -3 GLU CA . 7249 1 44 . 1 1 13 13 GLU CB C 13 29.950 0.200 . 1 . . . . -3 GLU CB . 7249 1 45 . 1 1 13 13 GLU N N 15 124.344 0.048 . 1 . . . . -3 GLU N . 7249 1 46 . 1 1 14 14 GLU HA H 1 4.237 0.006 . 1 . . . . -2 GLU HA . 7249 1 47 . 1 1 14 14 GLU HB2 H 1 1.964 0.006 . 2 . . . . -2 GLU HB2 . 7249 1 48 . 1 1 14 14 GLU HB3 H 1 2.049 0.014 . 2 . . . . -2 GLU HB3 . 7249 1 49 . 1 1 14 14 GLU HG2 H 1 2.284 0.006 . 1 . . . . -2 GLU QG . 7249 1 50 . 1 1 14 14 GLU HG3 H 1 2.284 0.006 . 1 . . . . -2 GLU QG . 7249 1 51 . 1 1 14 14 GLU C C 13 177.033 0.200 . 1 . . . . -2 GLU C . 7249 1 52 . 1 1 14 14 GLU CA C 13 57.103 0.045 . 1 . . . . -2 GLU CA . 7249 1 53 . 1 1 14 14 GLU CB C 13 29.749 0.148 . 1 . . . . -2 GLU CB . 7249 1 54 . 1 1 14 14 GLU CG C 13 36.217 0.047 . 1 . . . . -2 GLU CG . 7249 1 55 . 1 1 15 15 GLY H H 1 8.399 0.017 . 1 . . . . -1 GLY H . 7249 1 56 . 1 1 15 15 GLY HA2 H 1 3.946 0.015 . 1 . . . . -1 GLY QA . 7249 1 57 . 1 1 15 15 GLY HA3 H 1 3.946 0.015 . 1 . . . . -1 GLY QA . 7249 1 58 . 1 1 15 15 GLY C C 13 174.055 0.200 . 1 . . . . -1 GLY C . 7249 1 59 . 1 1 15 15 GLY CA C 13 45.400 0.065 . 1 . . . . -1 GLY CA . 7249 1 60 . 1 1 15 15 GLY N N 15 109.859 0.088 . 1 . . . . -1 GLY N . 7249 1 61 . 1 1 16 16 ARG H H 1 8.073 0.012 . 1 . . . . 0 ARG H . 7249 1 62 . 1 1 16 16 ARG HA H 1 4.362 0.004 . 1 . . . . 0 ARG HA . 7249 1 63 . 1 1 16 16 ARG HB2 H 1 1.755 0.002 . 2 . . . . 0 ARG HB2 . 7249 1 64 . 1 1 16 16 ARG HB3 H 1 1.843 0.002 . 2 . . . . 0 ARG HB3 . 7249 1 65 . 1 1 16 16 ARG HG2 H 1 1.603 0.006 . 1 . . . . 0 ARG QG . 7249 1 66 . 1 1 16 16 ARG HG3 H 1 1.603 0.006 . 1 . . . . 0 ARG QG . 7249 1 67 . 1 1 16 16 ARG HD2 H 1 3.150 0.003 . 1 . . . . 0 ARG QD . 7249 1 68 . 1 1 16 16 ARG HD3 H 1 3.150 0.003 . 1 . . . . 0 ARG QD . 7249 1 69 . 1 1 16 16 ARG C C 13 176.335 0.200 . 1 . . . . 0 ARG C . 7249 1 70 . 1 1 16 16 ARG CA C 13 56.071 0.061 . 1 . . . . 0 ARG CA . 7249 1 71 . 1 1 16 16 ARG CB C 13 30.900 0.049 . 1 . . . . 0 ARG CB . 7249 1 72 . 1 1 16 16 ARG CG C 13 27.069 0.021 . 1 . . . . 0 ARG CG . 7249 1 73 . 1 1 16 16 ARG CD C 13 43.347 0.060 . 1 . . . . 0 ARG CD . 7249 1 74 . 1 1 16 16 ARG N N 15 120.254 0.064 . 1 . . . . 0 ARG N . 7249 1 75 . 1 1 17 17 MET H H 1 8.535 0.018 . 1 . . . . 1 MET H . 7249 1 76 . 1 1 17 17 MET HA H 1 4.566 0.004 . 1 . . . . 1 MET HA . 7249 1 77 . 1 1 17 17 MET HB2 H 1 2.060 0.014 . 2 . . . . 1 MET HB2 . 7249 1 78 . 1 1 17 17 MET HB3 H 1 2.127 0.003 . 2 . . . . 1 MET HB3 . 7249 1 79 . 1 1 17 17 MET HG2 H 1 2.551 0.003 . 2 . . . . 1 MET HG2 . 7249 1 80 . 1 1 17 17 MET HG3 H 1 2.639 0.004 . 2 . . . . 1 MET HG3 . 7249 1 81 . 1 1 17 17 MET HE1 H 1 2.087 0.001 . 1 . . . . 1 MET HE . 7249 1 82 . 1 1 17 17 MET HE2 H 1 2.087 0.001 . 1 . . . . 1 MET HE . 7249 1 83 . 1 1 17 17 MET HE3 H 1 2.087 0.001 . 1 . . . . 1 MET HE . 7249 1 84 . 1 1 17 17 MET C C 13 176.373 0.200 . 1 . . . . 1 MET C . 7249 1 85 . 1 1 17 17 MET CA C 13 55.698 0.096 . 1 . . . . 1 MET CA . 7249 1 86 . 1 1 17 17 MET CB C 13 32.796 0.089 . 1 . . . . 1 MET CB . 7249 1 87 . 1 1 17 17 MET CG C 13 32.052 0.001 . 1 . . . . 1 MET CG . 7249 1 88 . 1 1 17 17 MET CE C 13 16.987 0.200 . 1 . . . . 1 MET CE . 7249 1 89 . 1 1 17 17 MET N N 15 121.879 0.031 . 1 . . . . 1 MET N . 7249 1 90 . 1 1 18 18 THR H H 1 8.267 0.016 . 1 . . . . 2 THR H . 7249 1 91 . 1 1 18 18 THR HA H 1 4.387 0.004 . 1 . . . . 2 THR HA . 7249 1 92 . 1 1 18 18 THR HB H 1 4.250 0.003 . 1 . . . . 2 THR HB . 7249 1 93 . 1 1 18 18 THR HG21 H 1 1.214 0.006 . 1 . . . . 2 THR HG2 . 7249 1 94 . 1 1 18 18 THR HG22 H 1 1.214 0.006 . 1 . . . . 2 THR HG2 . 7249 1 95 . 1 1 18 18 THR HG23 H 1 1.214 0.006 . 1 . . . . 2 THR HG2 . 7249 1 96 . 1 1 18 18 THR C C 13 174.575 0.200 . 1 . . . . 2 THR C . 7249 1 97 . 1 1 18 18 THR CA C 13 61.851 0.108 . 1 . . . . 2 THR CA . 7249 1 98 . 1 1 18 18 THR CB C 13 70.024 0.130 . 1 . . . . 2 THR CB . 7249 1 99 . 1 1 18 18 THR CG2 C 13 21.538 0.161 . 1 . . . . 2 THR CG2 . 7249 1 100 . 1 1 18 18 THR N N 15 115.364 0.057 . 1 . . . . 2 THR N . 7249 1 101 . 1 1 19 19 GLU H H 1 8.499 0.015 . 1 . . . . 3 GLU H . 7249 1 102 . 1 1 19 19 GLU HA H 1 4.313 0.004 . 1 . . . . 3 GLU HA . 7249 1 103 . 1 1 19 19 GLU HB2 H 1 2.047 0.037 . 1 . . . . 3 GLU QB . 7249 1 104 . 1 1 19 19 GLU HB3 H 1 2.047 0.037 . 1 . . . . 3 GLU QB . 7249 1 105 . 1 1 19 19 GLU HG2 H 1 2.075 0.008 . 1 . . . . 3 GLU QG . 7249 1 106 . 1 1 19 19 GLU HG3 H 1 2.075 0.008 . 1 . . . . 3 GLU QG . 7249 1 107 . 1 1 19 19 GLU C C 13 176.132 0.200 . 1 . . . . 3 GLU C . 7249 1 108 . 1 1 19 19 GLU CA C 13 56.565 0.081 . 1 . . . . 3 GLU CA . 7249 1 109 . 1 1 19 19 GLU CB C 13 30.317 0.078 . 1 . . . . 3 GLU CB . 7249 1 110 . 1 1 19 19 GLU CG C 13 36.198 0.092 . 1 . . . . 3 GLU CG . 7249 1 111 . 1 1 19 19 GLU N N 15 122.994 0.037 . 1 . . . . 3 GLU N . 7249 1 112 . 1 1 20 20 ALA H H 1 8.319 0.017 . 1 . . . . 4 ALA H . 7249 1 113 . 1 1 20 20 ALA HA H 1 4.279 0.004 . 1 . . . . 4 ALA HA . 7249 1 114 . 1 1 20 20 ALA HB1 H 1 1.397 0.006 . 1 . . . . 4 ALA HB . 7249 1 115 . 1 1 20 20 ALA HB2 H 1 1.397 0.006 . 1 . . . . 4 ALA HB . 7249 1 116 . 1 1 20 20 ALA HB3 H 1 1.397 0.006 . 1 . . . . 4 ALA HB . 7249 1 117 . 1 1 20 20 ALA C C 13 177.458 0.200 . 1 . . . . 4 ALA C . 7249 1 118 . 1 1 20 20 ALA CA C 13 52.800 0.107 . 1 . . . . 4 ALA CA . 7249 1 119 . 1 1 20 20 ALA CB C 13 19.379 0.107 . 1 . . . . 4 ALA CB . 7249 1 120 . 1 1 20 20 ALA N N 15 124.339 0.054 . 1 . . . . 4 ALA N . 7249 1 121 . 1 1 21 21 ASP H H 1 8.389 0.011 . 1 . . . . 5 ASP H . 7249 1 122 . 1 1 21 21 ASP HA H 1 4.568 0.005 . 1 . . . . 5 ASP HA . 7249 1 123 . 1 1 21 21 ASP HB2 H 1 2.700 0.007 . 1 . . . . 5 ASP QB . 7249 1 124 . 1 1 21 21 ASP HB3 H 1 2.700 0.007 . 1 . . . . 5 ASP QB . 7249 1 125 . 1 1 21 21 ASP C C 13 175.746 0.200 . 1 . . . . 5 ASP C . 7249 1 126 . 1 1 21 21 ASP CA C 13 54.510 0.077 . 1 . . . . 5 ASP CA . 7249 1 127 . 1 1 21 21 ASP CB C 13 40.913 0.064 . 1 . . . . 5 ASP CB . 7249 1 128 . 1 1 21 21 ASP N N 15 118.737 0.030 . 1 . . . . 5 ASP N . 7249 1 129 . 1 1 22 22 VAL H H 1 7.809 0.020 . 1 . . . . 6 VAL H . 7249 1 130 . 1 1 22 22 VAL HA H 1 4.150 0.003 . 1 . . . . 6 VAL HA . 7249 1 131 . 1 1 22 22 VAL HB H 1 1.992 0.007 . 1 . . . . 6 VAL HB . 7249 1 132 . 1 1 22 22 VAL HG11 H 1 0.904 0.007 . 1 . . . . 6 VAL QG . 7249 1 133 . 1 1 22 22 VAL HG12 H 1 0.904 0.007 . 1 . . . . 6 VAL QG . 7249 1 134 . 1 1 22 22 VAL HG13 H 1 0.904 0.007 . 1 . . . . 6 VAL QG . 7249 1 135 . 1 1 22 22 VAL HG21 H 1 0.904 0.007 . 1 . . . . 6 VAL QG . 7249 1 136 . 1 1 22 22 VAL HG22 H 1 0.904 0.007 . 1 . . . . 6 VAL QG . 7249 1 137 . 1 1 22 22 VAL HG23 H 1 0.904 0.007 . 1 . . . . 6 VAL QG . 7249 1 138 . 1 1 22 22 VAL C C 13 175.139 0.200 . 1 . . . . 6 VAL C . 7249 1 139 . 1 1 22 22 VAL CA C 13 61.047 0.078 . 1 . . . . 6 VAL CA . 7249 1 140 . 1 1 22 22 VAL CB C 13 33.615 0.079 . 1 . . . . 6 VAL CB . 7249 1 141 . 1 1 22 22 VAL CG1 C 13 21.247 0.137 . 1 . . . . 6 VAL CG . 7249 1 142 . 1 1 22 22 VAL CG2 C 13 21.247 0.137 . 1 . . . . 6 VAL CG . 7249 1 143 . 1 1 22 22 VAL N N 15 118.498 0.049 . 1 . . . . 6 VAL N . 7249 1 144 . 1 1 23 23 ASN H H 1 8.684 0.020 . 1 . . . . 7 ASN H . 7249 1 145 . 1 1 23 23 ASN HA H 1 4.712 0.006 . 1 . . . . 7 ASN HA . 7249 1 146 . 1 1 23 23 ASN HB2 H 1 2.857 0.012 . 2 . . . . 7 ASN HB2 . 7249 1 147 . 1 1 23 23 ASN HB3 H 1 2.604 0.003 . 2 . . . . 7 ASN HB3 . 7249 1 148 . 1 1 23 23 ASN CA C 13 52.004 0.096 . 1 . . . . 7 ASN CA . 7249 1 149 . 1 1 23 23 ASN CB C 13 39.428 0.098 . 1 . . . . 7 ASN CB . 7249 1 150 . 1 1 23 23 ASN N N 15 126.039 0.090 . 1 . . . . 7 ASN N . 7249 1 151 . 1 1 24 24 PRO HA H 1 4.351 0.004 . 1 . . . . 8 PRO HA . 7249 1 152 . 1 1 24 24 PRO HB2 H 1 1.916 0.006 . 2 . . . . 8 PRO HB2 . 7249 1 153 . 1 1 24 24 PRO HB3 H 1 2.324 0.007 . 2 . . . . 8 PRO HB3 . 7249 1 154 . 1 1 24 24 PRO HG2 H 1 2.014 0.011 . 1 . . . . 8 PRO QG . 7249 1 155 . 1 1 24 24 PRO HG3 H 1 2.014 0.011 . 1 . . . . 8 PRO QG . 7249 1 156 . 1 1 24 24 PRO HD2 H 1 3.711 0.002 . 2 . . . . 8 PRO HD2 . 7249 1 157 . 1 1 24 24 PRO HD3 H 1 3.891 0.007 . 2 . . . . 8 PRO HD3 . 7249 1 158 . 1 1 24 24 PRO C C 13 177.330 0.200 . 1 . . . . 8 PRO C . 7249 1 159 . 1 1 24 24 PRO CA C 13 64.121 0.085 . 1 . . . . 8 PRO CA . 7249 1 160 . 1 1 24 24 PRO CB C 13 32.263 0.045 . 1 . . . . 8 PRO CB . 7249 1 161 . 1 1 24 24 PRO CG C 13 27.284 0.022 . 1 . . . . 8 PRO CG . 7249 1 162 . 1 1 24 24 PRO CD C 13 51.063 0.120 . 1 . . . . 8 PRO CD . 7249 1 163 . 1 1 25 25 LYS H H 1 8.394 0.011 . 1 . . . . 9 LYS H . 7249 1 164 . 1 1 25 25 LYS HA H 1 4.152 0.006 . 1 . . . . 9 LYS HA . 7249 1 165 . 1 1 25 25 LYS HB2 H 1 1.509 0.021 . 2 . . . . 9 LYS HB2 . 7249 1 166 . 1 1 25 25 LYS HB3 H 1 1.883 0.017 . 2 . . . . 9 LYS HB3 . 7249 1 167 . 1 1 25 25 LYS HE2 H 1 2.856 0.006 . 1 . . . . 9 LYS QE . 7249 1 168 . 1 1 25 25 LYS HE3 H 1 2.856 0.006 . 1 . . . . 9 LYS QE . 7249 1 169 . 1 1 25 25 LYS C C 13 176.162 0.200 . 1 . . . . 9 LYS C . 7249 1 170 . 1 1 25 25 LYS CA C 13 56.912 0.066 . 1 . . . . 9 LYS CA . 7249 1 171 . 1 1 25 25 LYS CB C 13 32.604 0.097 . 1 . . . . 9 LYS CB . 7249 1 172 . 1 1 25 25 LYS CE C 13 41.721 0.200 . 1 . . . . 9 LYS CE . 7249 1 173 . 1 1 25 25 LYS N N 15 116.048 0.074 . 1 . . . . 9 LYS N . 7249 1 174 . 1 1 26 26 ALA H H 1 7.691 0.011 . 1 . . . . 10 ALA H . 7249 1 175 . 1 1 26 26 ALA HA H 1 2.761 0.005 . 1 . . . . 10 ALA HA . 7249 1 176 . 1 1 26 26 ALA HB1 H 1 0.672 0.008 . 1 . . . . 10 ALA HB . 7249 1 177 . 1 1 26 26 ALA HB2 H 1 0.672 0.008 . 1 . . . . 10 ALA HB . 7249 1 178 . 1 1 26 26 ALA HB3 H 1 0.672 0.008 . 1 . . . . 10 ALA HB . 7249 1 179 . 1 1 26 26 ALA C C 13 172.824 0.200 . 1 . . . . 10 ALA C . 7249 1 180 . 1 1 26 26 ALA CA C 13 49.752 0.151 . 1 . . . . 10 ALA CA . 7249 1 181 . 1 1 26 26 ALA CB C 13 16.653 0.123 . 1 . . . . 10 ALA CB . 7249 1 182 . 1 1 26 26 ALA N N 15 123.357 0.055 . 1 . . . . 10 ALA N . 7249 1 183 . 1 1 27 27 TYR H H 1 6.756 0.007 . 1 . . . . 11 TYR H . 7249 1 184 . 1 1 27 27 TYR HA H 1 4.665 0.007 . 1 . . . . 11 TYR HA . 7249 1 185 . 1 1 27 27 TYR HB2 H 1 2.635 0.011 . 2 . . . . 11 TYR HB2 . 7249 1 186 . 1 1 27 27 TYR HB3 H 1 2.923 0.009 . 2 . . . . 11 TYR HB3 . 7249 1 187 . 1 1 27 27 TYR HD1 H 1 7.127 0.001 . 1 . . . . 11 TYR QD . 7249 1 188 . 1 1 27 27 TYR HD2 H 1 7.127 0.001 . 1 . . . . 11 TYR QD . 7249 1 189 . 1 1 27 27 TYR HE1 H 1 6.831 0.025 . 1 . . . . 11 TYR QE . 7249 1 190 . 1 1 27 27 TYR HE2 H 1 6.831 0.025 . 1 . . . . 11 TYR QE . 7249 1 191 . 1 1 27 27 TYR CA C 13 54.018 0.115 . 1 . . . . 11 TYR CA . 7249 1 192 . 1 1 27 27 TYR CB C 13 41.799 0.061 . 1 . . . . 11 TYR CB . 7249 1 193 . 1 1 27 27 TYR CD1 C 13 132.792 0.200 . 3 . . . . 11 TYR CD1 . 7249 1 194 . 1 1 27 27 TYR CE1 C 13 117.691 0.200 . 3 . . . . 11 TYR CE1 . 7249 1 195 . 1 1 27 27 TYR N N 15 123.468 0.040 . 1 . . . . 11 TYR N . 7249 1 196 . 1 1 28 28 PRO HA H 1 3.866 0.006 . 1 . . . . 12 PRO HA . 7249 1 197 . 1 1 28 28 PRO HB2 H 1 1.425 0.008 . 2 . . . . 12 PRO HB2 . 7249 1 198 . 1 1 28 28 PRO HB3 H 1 1.655 0.010 . 2 . . . . 12 PRO HB3 . 7249 1 199 . 1 1 28 28 PRO HG2 H 1 1.929 0.006 . 1 . . . . 12 PRO QG . 7249 1 200 . 1 1 28 28 PRO HG3 H 1 1.929 0.006 . 1 . . . . 12 PRO QG . 7249 1 201 . 1 1 28 28 PRO HD2 H 1 3.125 0.006 . 2 . . . . 12 PRO HD2 . 7249 1 202 . 1 1 28 28 PRO HD3 H 1 3.492 0.008 . 2 . . . . 12 PRO HD3 . 7249 1 203 . 1 1 28 28 PRO C C 13 173.565 0.200 . 1 . . . . 12 PRO C . 7249 1 204 . 1 1 28 28 PRO CA C 13 62.526 0.035 . 1 . . . . 12 PRO CA . 7249 1 205 . 1 1 28 28 PRO CB C 13 34.208 0.066 . 1 . . . . 12 PRO CB . 7249 1 206 . 1 1 28 28 PRO CG C 13 24.816 0.200 . 1 . . . . 12 PRO CG . 7249 1 207 . 1 1 28 28 PRO CD C 13 50.183 0.030 . 1 . . . . 12 PRO CD . 7249 1 208 . 1 1 29 29 LEU H H 1 8.574 0.017 . 1 . . . . 13 LEU H . 7249 1 209 . 1 1 29 29 LEU HA H 1 4.799 0.003 . 1 . . . . 13 LEU HA . 7249 1 210 . 1 1 29 29 LEU HB2 H 1 1.392 0.009 . 2 . . . . 13 LEU HB2 . 7249 1 211 . 1 1 29 29 LEU HB3 H 1 1.816 0.008 . 2 . . . . 13 LEU HB3 . 7249 1 212 . 1 1 29 29 LEU HG H 1 0.832 0.003 . 1 . . . . 13 LEU HG . 7249 1 213 . 1 1 29 29 LEU HD11 H 1 0.691 0.004 . 1 . . . . 13 LEU QD . 7249 1 214 . 1 1 29 29 LEU HD12 H 1 0.691 0.004 . 1 . . . . 13 LEU QD . 7249 1 215 . 1 1 29 29 LEU HD13 H 1 0.691 0.004 . 1 . . . . 13 LEU QD . 7249 1 216 . 1 1 29 29 LEU HD21 H 1 0.691 0.004 . 1 . . . . 13 LEU QD . 7249 1 217 . 1 1 29 29 LEU HD22 H 1 0.691 0.004 . 1 . . . . 13 LEU QD . 7249 1 218 . 1 1 29 29 LEU HD23 H 1 0.691 0.004 . 1 . . . . 13 LEU QD . 7249 1 219 . 1 1 29 29 LEU C C 13 176.020 0.200 . 1 . . . . 13 LEU C . 7249 1 220 . 1 1 29 29 LEU CA C 13 53.089 0.118 . 1 . . . . 13 LEU CA . 7249 1 221 . 1 1 29 29 LEU CB C 13 44.076 0.068 . 1 . . . . 13 LEU CB . 7249 1 222 . 1 1 29 29 LEU CG C 13 26.483 0.200 . 1 . . . . 13 LEU CG . 7249 1 223 . 1 1 29 29 LEU CD1 C 13 23.320 0.039 . 1 . . . . 13 LEU CD1 . 7249 1 224 . 1 1 29 29 LEU N N 15 124.319 0.064 . 1 . . . . 13 LEU N . 7249 1 225 . 1 1 30 30 ALA H H 1 8.768 0.011 . 1 . . . . 14 ALA H . 7249 1 226 . 1 1 30 30 ALA HA H 1 4.154 0.004 . 1 . . . . 14 ALA HA . 7249 1 227 . 1 1 30 30 ALA HB1 H 1 1.310 0.011 . 1 . . . . 14 ALA HB . 7249 1 228 . 1 1 30 30 ALA HB2 H 1 1.310 0.011 . 1 . . . . 14 ALA HB . 7249 1 229 . 1 1 30 30 ALA HB3 H 1 1.310 0.011 . 1 . . . . 14 ALA HB . 7249 1 230 . 1 1 30 30 ALA C C 13 176.715 0.200 . 1 . . . . 14 ALA C . 7249 1 231 . 1 1 30 30 ALA CA C 13 52.565 0.084 . 1 . . . . 14 ALA CA . 7249 1 232 . 1 1 30 30 ALA CB C 13 20.197 0.099 . 1 . . . . 14 ALA CB . 7249 1 233 . 1 1 30 30 ALA N N 15 129.910 0.122 . 1 . . . . 14 ALA N . 7249 1 234 . 1 1 31 31 ASP H H 1 8.471 0.043 . 1 . . . . 15 ASP H . 7249 1 235 . 1 1 31 31 ASP HA H 1 4.626 0.009 . 1 . . . . 15 ASP HA . 7249 1 236 . 1 1 31 31 ASP HB2 H 1 2.892 0.006 . 2 . . . . 15 ASP HB2 . 7249 1 237 . 1 1 31 31 ASP HB3 H 1 3.292 0.002 . 2 . . . . 15 ASP HB3 . 7249 1 238 . 1 1 31 31 ASP C C 13 177.842 0.200 . 1 . . . . 15 ASP C . 7249 1 239 . 1 1 31 31 ASP CA C 13 52.486 0.089 . 1 . . . . 15 ASP CA . 7249 1 240 . 1 1 31 31 ASP CB C 13 40.625 0.086 . 1 . . . . 15 ASP CB . 7249 1 241 . 1 1 31 31 ASP N N 15 120.433 0.032 . 1 . . . . 15 ASP N . 7249 1 242 . 1 1 32 32 ALA H H 1 9.001 0.015 . 1 . . . . 16 ALA H . 7249 1 243 . 1 1 32 32 ALA HA H 1 4.055 0.003 . 1 . . . . 16 ALA HA . 7249 1 244 . 1 1 32 32 ALA HB1 H 1 1.434 0.007 . 1 . . . . 16 ALA HB . 7249 1 245 . 1 1 32 32 ALA HB2 H 1 1.434 0.007 . 1 . . . . 16 ALA HB . 7249 1 246 . 1 1 32 32 ALA HB3 H 1 1.434 0.007 . 1 . . . . 16 ALA HB . 7249 1 247 . 1 1 32 32 ALA C C 13 180.251 0.200 . 1 . . . . 16 ALA C . 7249 1 248 . 1 1 32 32 ALA CA C 13 56.418 0.075 . 1 . . . . 16 ALA CA . 7249 1 249 . 1 1 32 32 ALA CB C 13 18.360 0.150 . 1 . . . . 16 ALA CB . 7249 1 250 . 1 1 32 32 ALA N N 15 124.267 0.069 . 1 . . . . 16 ALA N . 7249 1 251 . 1 1 33 33 HIS H H 1 8.162 0.037 . 1 . . . . 17 HIS H . 7249 1 252 . 1 1 33 33 HIS HA H 1 4.399 0.003 . 1 . . . . 17 HIS HA . 7249 1 253 . 1 1 33 33 HIS HB2 H 1 3.309 0.007 . 1 . . . . 17 HIS QB . 7249 1 254 . 1 1 33 33 HIS HB3 H 1 3.309 0.007 . 1 . . . . 17 HIS QB . 7249 1 255 . 1 1 33 33 HIS C C 13 177.979 0.200 . 1 . . . . 17 HIS C . 7249 1 256 . 1 1 33 33 HIS CA C 13 58.838 0.106 . 1 . . . . 17 HIS CA . 7249 1 257 . 1 1 33 33 HIS CB C 13 29.066 0.151 . 1 . . . . 17 HIS CB . 7249 1 258 . 1 1 33 33 HIS N N 15 118.306 0.080 . 1 . . . . 17 HIS N . 7249 1 259 . 1 1 34 34 LEU H H 1 8.974 0.015 . 1 . . . . 18 LEU H . 7249 1 260 . 1 1 34 34 LEU HA H 1 4.115 0.015 . 1 . . . . 18 LEU HA . 7249 1 261 . 1 1 34 34 LEU HB2 H 1 1.785 0.013 . 1 . . . . 18 LEU QB . 7249 1 262 . 1 1 34 34 LEU HB3 H 1 1.785 0.013 . 1 . . . . 18 LEU QB . 7249 1 263 . 1 1 34 34 LEU HG H 1 1.471 0.009 . 1 . . . . 18 LEU HG . 7249 1 264 . 1 1 34 34 LEU HD11 H 1 0.918 0.005 . 1 . . . . 18 LEU QD . 7249 1 265 . 1 1 34 34 LEU HD12 H 1 0.918 0.005 . 1 . . . . 18 LEU QD . 7249 1 266 . 1 1 34 34 LEU HD13 H 1 0.918 0.005 . 1 . . . . 18 LEU QD . 7249 1 267 . 1 1 34 34 LEU HD21 H 1 0.918 0.005 . 1 . . . . 18 LEU QD . 7249 1 268 . 1 1 34 34 LEU HD22 H 1 0.918 0.005 . 1 . . . . 18 LEU QD . 7249 1 269 . 1 1 34 34 LEU HD23 H 1 0.918 0.005 . 1 . . . . 18 LEU QD . 7249 1 270 . 1 1 34 34 LEU C C 13 178.526 0.200 . 1 . . . . 18 LEU C . 7249 1 271 . 1 1 34 34 LEU CA C 13 57.375 0.054 . 1 . . . . 18 LEU CA . 7249 1 272 . 1 1 34 34 LEU CB C 13 40.271 0.122 . 1 . . . . 18 LEU CB . 7249 1 273 . 1 1 34 34 LEU CG C 13 26.276 0.006 . 1 . . . . 18 LEU CG . 7249 1 274 . 1 1 34 34 LEU CD1 C 13 23.008 0.033 . 1 . . . . 18 LEU CD . 7249 1 275 . 1 1 34 34 LEU CD2 C 13 23.008 0.033 . 1 . . . . 18 LEU CD . 7249 1 276 . 1 1 34 34 LEU N N 15 122.376 0.037 . 1 . . . . 18 LEU N . 7249 1 277 . 1 1 35 35 THR H H 1 8.818 0.013 . 1 . . . . 19 THR H . 7249 1 278 . 1 1 35 35 THR HA H 1 4.311 0.006 . 1 . . . . 19 THR HA . 7249 1 279 . 1 1 35 35 THR HB H 1 3.602 0.005 . 1 . . . . 19 THR HB . 7249 1 280 . 1 1 35 35 THR HG21 H 1 1.256 0.007 . 1 . . . . 19 THR HG2 . 7249 1 281 . 1 1 35 35 THR HG22 H 1 1.256 0.007 . 1 . . . . 19 THR HG2 . 7249 1 282 . 1 1 35 35 THR HG23 H 1 1.256 0.007 . 1 . . . . 19 THR HG2 . 7249 1 283 . 1 1 35 35 THR C C 13 174.662 0.200 . 1 . . . . 19 THR C . 7249 1 284 . 1 1 35 35 THR CA C 13 68.520 0.210 . 1 . . . . 19 THR CA . 7249 1 285 . 1 1 35 35 THR CB C 13 68.612 0.155 . 1 . . . . 19 THR CB . 7249 1 286 . 1 1 35 35 THR CG2 C 13 20.550 0.064 . 1 . . . . 19 THR CG2 . 7249 1 287 . 1 1 35 35 THR N N 15 115.846 0.047 . 1 . . . . 19 THR N . 7249 1 288 . 1 1 36 36 LYS H H 1 7.294 0.003 . 1 . . . . 20 LYS H . 7249 1 289 . 1 1 36 36 LYS HA H 1 3.964 0.009 . 1 . . . . 20 LYS HA . 7249 1 290 . 1 1 36 36 LYS HB2 H 1 1.958 0.010 . 1 . . . . 20 LYS QB . 7249 1 291 . 1 1 36 36 LYS HB3 H 1 1.958 0.010 . 1 . . . . 20 LYS QB . 7249 1 292 . 1 1 36 36 LYS HG2 H 1 1.433 0.003 . 1 . . . . 20 LYS QG . 7249 1 293 . 1 1 36 36 LYS HG3 H 1 1.433 0.003 . 1 . . . . 20 LYS QG . 7249 1 294 . 1 1 36 36 LYS HD2 H 1 1.519 0.025 . 1 . . . . 20 LYS QD . 7249 1 295 . 1 1 36 36 LYS HD3 H 1 1.519 0.025 . 1 . . . . 20 LYS QD . 7249 1 296 . 1 1 36 36 LYS HE2 H 1 3.058 0.025 . 1 . . . . 20 LYS QE . 7249 1 297 . 1 1 36 36 LYS HE3 H 1 3.058 0.025 . 1 . . . . 20 LYS QE . 7249 1 298 . 1 1 36 36 LYS C C 13 178.371 0.200 . 1 . . . . 20 LYS C . 7249 1 299 . 1 1 36 36 LYS CA C 13 59.994 0.096 . 1 . . . . 20 LYS CA . 7249 1 300 . 1 1 36 36 LYS CB C 13 32.140 0.048 . 1 . . . . 20 LYS CB . 7249 1 301 . 1 1 36 36 LYS CG C 13 24.946 0.055 . 1 . . . . 20 LYS CG . 7249 1 302 . 1 1 36 36 LYS CD C 13 28.963 0.200 . 1 . . . . 20 LYS CD . 7249 1 303 . 1 1 36 36 LYS N N 15 120.466 0.065 . 1 . . . . 20 LYS N . 7249 1 304 . 1 1 37 37 LYS H H 1 7.207 0.006 . 1 . . . . 21 LYS H . 7249 1 305 . 1 1 37 37 LYS HA H 1 4.111 0.007 . 1 . . . . 21 LYS HA . 7249 1 306 . 1 1 37 37 LYS HB2 H 1 1.791 0.025 . 1 . . . . 21 LYS QB . 7249 1 307 . 1 1 37 37 LYS HB3 H 1 1.791 0.025 . 1 . . . . 21 LYS QB . 7249 1 308 . 1 1 37 37 LYS HG2 H 1 1.409 0.005 . 2 . . . . 21 LYS HG2 . 7249 1 309 . 1 1 37 37 LYS HG3 H 1 1.551 0.017 . 2 . . . . 21 LYS HG3 . 7249 1 310 . 1 1 37 37 LYS HD2 H 1 1.598 0.005 . 1 . . . . 21 LYS QD . 7249 1 311 . 1 1 37 37 LYS HD3 H 1 1.598 0.005 . 1 . . . . 21 LYS QD . 7249 1 312 . 1 1 37 37 LYS HE2 H 1 2.857 0.008 . 1 . . . . 21 LYS QE . 7249 1 313 . 1 1 37 37 LYS HE3 H 1 2.857 0.008 . 1 . . . . 21 LYS QE . 7249 1 314 . 1 1 37 37 LYS C C 13 179.936 0.200 . 1 . . . . 21 LYS C . 7249 1 315 . 1 1 37 37 LYS CA C 13 59.196 0.051 . 1 . . . . 21 LYS CA . 7249 1 316 . 1 1 37 37 LYS CB C 13 32.624 0.205 . 1 . . . . 21 LYS CB . 7249 1 317 . 1 1 37 37 LYS CG C 13 24.920 0.046 . 1 . . . . 21 LYS CG . 7249 1 318 . 1 1 37 37 LYS CD C 13 29.134 0.022 . 1 . . . . 21 LYS CD . 7249 1 319 . 1 1 37 37 LYS CE C 13 41.810 0.048 . 1 . . . . 21 LYS CE . 7249 1 320 . 1 1 37 37 LYS N N 15 117.139 0.051 . 1 . . . . 21 LYS N . 7249 1 321 . 1 1 38 38 LEU H H 1 9.009 0.006 . 1 . . . . 22 LEU H . 7249 1 322 . 1 1 38 38 LEU HA H 1 3.839 0.009 . 1 . . . . 22 LEU HA . 7249 1 323 . 1 1 38 38 LEU HB2 H 1 1.946 0.008 . 2 . . . . 22 LEU HB2 . 7249 1 324 . 1 1 38 38 LEU HB3 H 1 1.209 0.005 . 2 . . . . 22 LEU HB3 . 7249 1 325 . 1 1 38 38 LEU HG H 1 1.557 0.013 . 1 . . . . 22 LEU HG . 7249 1 326 . 1 1 38 38 LEU HD11 H 1 0.610 0.009 . 2 . . . . 22 LEU HD1 . 7249 1 327 . 1 1 38 38 LEU HD12 H 1 0.610 0.009 . 2 . . . . 22 LEU HD1 . 7249 1 328 . 1 1 38 38 LEU HD13 H 1 0.610 0.009 . 2 . . . . 22 LEU HD1 . 7249 1 329 . 1 1 38 38 LEU HD21 H 1 0.600 0.010 . 2 . . . . 22 LEU HD2 . 7249 1 330 . 1 1 38 38 LEU HD22 H 1 0.600 0.010 . 2 . . . . 22 LEU HD2 . 7249 1 331 . 1 1 38 38 LEU HD23 H 1 0.600 0.010 . 2 . . . . 22 LEU HD2 . 7249 1 332 . 1 1 38 38 LEU C C 13 178.123 0.200 . 1 . . . . 22 LEU C . 7249 1 333 . 1 1 38 38 LEU CA C 13 58.081 0.059 . 1 . . . . 22 LEU CA . 7249 1 334 . 1 1 38 38 LEU CB C 13 43.263 0.049 . 1 . . . . 22 LEU CB . 7249 1 335 . 1 1 38 38 LEU CG C 13 26.868 0.083 . 1 . . . . 22 LEU CG . 7249 1 336 . 1 1 38 38 LEU CD1 C 13 27.540 0.031 . 1 . . . . 22 LEU CD1 . 7249 1 337 . 1 1 38 38 LEU CD2 C 13 25.550 0.051 . 1 . . . . 22 LEU CD2 . 7249 1 338 . 1 1 38 38 LEU N N 15 120.956 0.036 . 1 . . . . 22 LEU N . 7249 1 339 . 1 1 39 39 LEU H H 1 8.814 0.004 . 1 . . . . 23 LEU H . 7249 1 340 . 1 1 39 39 LEU HA H 1 3.906 0.004 . 1 . . . . 23 LEU HA . 7249 1 341 . 1 1 39 39 LEU HB2 H 1 2.006 0.044 . 2 . . . . 23 LEU HB2 . 7249 1 342 . 1 1 39 39 LEU HB3 H 1 1.464 0.025 . 2 . . . . 23 LEU HB3 . 7249 1 343 . 1 1 39 39 LEU HG H 1 2.036 0.005 . 1 . . . . 23 LEU HG . 7249 1 344 . 1 1 39 39 LEU HD11 H 1 0.863 0.011 . 2 . . . . 23 LEU HD1 . 7249 1 345 . 1 1 39 39 LEU HD12 H 1 0.863 0.011 . 2 . . . . 23 LEU HD1 . 7249 1 346 . 1 1 39 39 LEU HD13 H 1 0.863 0.011 . 2 . . . . 23 LEU HD1 . 7249 1 347 . 1 1 39 39 LEU HD21 H 1 0.704 0.003 . 2 . . . . 23 LEU HD2 . 7249 1 348 . 1 1 39 39 LEU HD22 H 1 0.704 0.003 . 2 . . . . 23 LEU HD2 . 7249 1 349 . 1 1 39 39 LEU HD23 H 1 0.704 0.003 . 2 . . . . 23 LEU HD2 . 7249 1 350 . 1 1 39 39 LEU C C 13 179.898 0.200 . 1 . . . . 23 LEU C . 7249 1 351 . 1 1 39 39 LEU CA C 13 58.123 0.059 . 1 . . . . 23 LEU CA . 7249 1 352 . 1 1 39 39 LEU CB C 13 39.446 0.066 . 1 . . . . 23 LEU CB . 7249 1 353 . 1 1 39 39 LEU CG C 13 26.761 0.200 . 1 . . . . 23 LEU CG . 7249 1 354 . 1 1 39 39 LEU CD1 C 13 26.198 0.114 . 1 . . . . 23 LEU CD1 . 7249 1 355 . 1 1 39 39 LEU CD2 C 13 22.027 0.043 . 1 . . . . 23 LEU CD2 . 7249 1 356 . 1 1 39 39 LEU N N 15 118.031 0.064 . 1 . . . . 23 LEU N . 7249 1 357 . 1 1 40 40 ASP H H 1 8.130 0.007 . 1 . . . . 24 ASP H . 7249 1 358 . 1 1 40 40 ASP HA H 1 4.507 0.007 . 1 . . . . 24 ASP HA . 7249 1 359 . 1 1 40 40 ASP HB2 H 1 2.721 0.035 . 1 . . . . 24 ASP QB . 7249 1 360 . 1 1 40 40 ASP HB3 H 1 2.721 0.035 . 1 . . . . 24 ASP QB . 7249 1 361 . 1 1 40 40 ASP C C 13 178.406 0.200 . 1 . . . . 24 ASP C . 7249 1 362 . 1 1 40 40 ASP CA C 13 57.517 0.095 . 1 . . . . 24 ASP CA . 7249 1 363 . 1 1 40 40 ASP CB C 13 40.695 0.056 . 1 . . . . 24 ASP CB . 7249 1 364 . 1 1 40 40 ASP N N 15 120.431 0.101 . 1 . . . . 24 ASP N . 7249 1 365 . 1 1 41 41 LEU H H 1 7.854 0.003 . 1 . . . . 25 LEU H . 7249 1 366 . 1 1 41 41 LEU HA H 1 4.346 0.005 . 1 . . . . 25 LEU HA . 7249 1 367 . 1 1 41 41 LEU HB2 H 1 2.056 0.008 . 2 . . . . 25 LEU HB2 . 7249 1 368 . 1 1 41 41 LEU HB3 H 1 1.755 0.018 . 2 . . . . 25 LEU HB3 . 7249 1 369 . 1 1 41 41 LEU HG H 1 1.013 0.010 . 1 . . . . 25 LEU HG . 7249 1 370 . 1 1 41 41 LEU HD11 H 1 1.048 0.003 . 1 . . . . 25 LEU QD . 7249 1 371 . 1 1 41 41 LEU HD12 H 1 1.048 0.003 . 1 . . . . 25 LEU QD . 7249 1 372 . 1 1 41 41 LEU HD13 H 1 1.048 0.003 . 1 . . . . 25 LEU QD . 7249 1 373 . 1 1 41 41 LEU HD21 H 1 1.048 0.003 . 1 . . . . 25 LEU QD . 7249 1 374 . 1 1 41 41 LEU HD22 H 1 1.048 0.003 . 1 . . . . 25 LEU QD . 7249 1 375 . 1 1 41 41 LEU HD23 H 1 1.048 0.003 . 1 . . . . 25 LEU QD . 7249 1 376 . 1 1 41 41 LEU C C 13 179.893 0.200 . 1 . . . . 25 LEU C . 7249 1 377 . 1 1 41 41 LEU CA C 13 57.350 0.041 . 1 . . . . 25 LEU CA . 7249 1 378 . 1 1 41 41 LEU CB C 13 40.918 0.073 . 1 . . . . 25 LEU CB . 7249 1 379 . 1 1 41 41 LEU CG C 13 27.310 0.041 . 1 . . . . 25 LEU CG . 7249 1 380 . 1 1 41 41 LEU CD1 C 13 24.269 0.071 . 1 . . . . 25 LEU CD . 7249 1 381 . 1 1 41 41 LEU CD2 C 13 24.269 0.071 . 1 . . . . 25 LEU CD . 7249 1 382 . 1 1 41 41 LEU N N 15 121.544 0.041 . 1 . . . . 25 LEU N . 7249 1 383 . 1 1 42 42 VAL H H 1 9.164 0.008 . 1 . . . . 26 VAL H . 7249 1 384 . 1 1 42 42 VAL HA H 1 3.418 0.004 . 1 . . . . 26 VAL HA . 7249 1 385 . 1 1 42 42 VAL HB H 1 2.191 0.012 . 1 . . . . 26 VAL HB . 7249 1 386 . 1 1 42 42 VAL HG11 H 1 0.868 0.008 . 1 . . . . 26 VAL QG . 7249 1 387 . 1 1 42 42 VAL HG12 H 1 0.868 0.008 . 1 . . . . 26 VAL QG . 7249 1 388 . 1 1 42 42 VAL HG13 H 1 0.868 0.008 . 1 . . . . 26 VAL QG . 7249 1 389 . 1 1 42 42 VAL HG21 H 1 0.868 0.008 . 1 . . . . 26 VAL QG . 7249 1 390 . 1 1 42 42 VAL HG22 H 1 0.868 0.008 . 1 . . . . 26 VAL QG . 7249 1 391 . 1 1 42 42 VAL HG23 H 1 0.868 0.008 . 1 . . . . 26 VAL QG . 7249 1 392 . 1 1 42 42 VAL C C 13 177.889 0.200 . 1 . . . . 26 VAL C . 7249 1 393 . 1 1 42 42 VAL CA C 13 67.535 0.104 . 1 . . . . 26 VAL CA . 7249 1 394 . 1 1 42 42 VAL CB C 13 31.723 0.064 . 1 . . . . 26 VAL CB . 7249 1 395 . 1 1 42 42 VAL CG1 C 13 23.091 0.024 . 2 . . . . 26 VAL CG1 . 7249 1 396 . 1 1 42 42 VAL N N 15 124.000 0.069 . 1 . . . . 26 VAL N . 7249 1 397 . 1 1 43 43 GLN H H 1 8.087 0.006 . 1 . . . . 27 GLN H . 7249 1 398 . 1 1 43 43 GLN HA H 1 4.562 0.005 . 1 . . . . 27 GLN HA . 7249 1 399 . 1 1 43 43 GLN HB2 H 1 2.390 0.012 . 1 . . . . 27 GLN QB . 7249 1 400 . 1 1 43 43 GLN HB3 H 1 2.390 0.012 . 1 . . . . 27 GLN QB . 7249 1 401 . 1 1 43 43 GLN HG2 H 1 2.629 0.011 . 1 . . . . 27 GLN QG . 7249 1 402 . 1 1 43 43 GLN HG3 H 1 2.629 0.011 . 1 . . . . 27 GLN QG . 7249 1 403 . 1 1 43 43 GLN C C 13 179.579 0.200 . 1 . . . . 27 GLN C . 7249 1 404 . 1 1 43 43 GLN CA C 13 59.530 0.060 . 1 . . . . 27 GLN CA . 7249 1 405 . 1 1 43 43 GLN CB C 13 28.686 0.068 . 1 . . . . 27 GLN CB . 7249 1 406 . 1 1 43 43 GLN CG C 13 34.176 0.108 . 1 . . . . 27 GLN CG . 7249 1 407 . 1 1 43 43 GLN N N 15 120.944 0.107 . 1 . . . . 27 GLN N . 7249 1 408 . 1 1 44 44 GLN H H 1 8.257 0.003 . 1 . . . . 28 GLN H . 7249 1 409 . 1 1 44 44 GLN HA H 1 4.192 0.005 . 1 . . . . 28 GLN HA . 7249 1 410 . 1 1 44 44 GLN HB2 H 1 2.282 0.012 . 1 . . . . 28 GLN QB . 7249 1 411 . 1 1 44 44 GLN HB3 H 1 2.282 0.012 . 1 . . . . 28 GLN QB . 7249 1 412 . 1 1 44 44 GLN HG2 H 1 2.456 0.000 . 2 . . . . 28 GLN HG2 . 7249 1 413 . 1 1 44 44 GLN HG3 H 1 2.650 0.014 . 2 . . . . 28 GLN HG3 . 7249 1 414 . 1 1 44 44 GLN C C 13 179.115 0.200 . 1 . . . . 28 GLN C . 7249 1 415 . 1 1 44 44 GLN CA C 13 59.483 0.038 . 1 . . . . 28 GLN CA . 7249 1 416 . 1 1 44 44 GLN CB C 13 29.722 0.087 . 1 . . . . 28 GLN CB . 7249 1 417 . 1 1 44 44 GLN CG C 13 34.409 0.140 . 1 . . . . 28 GLN CG . 7249 1 418 . 1 1 44 44 GLN N N 15 118.904 0.039 . 1 . . . . 28 GLN N . 7249 1 419 . 1 1 45 45 SER H H 1 9.170 0.003 . 1 . . . . 29 SER H . 7249 1 420 . 1 1 45 45 SER HA H 1 3.960 0.004 . 1 . . . . 29 SER HA . 7249 1 421 . 1 1 45 45 SER HB2 H 1 3.683 0.009 . 1 . . . . 29 SER QB . 7249 1 422 . 1 1 45 45 SER HB3 H 1 3.683 0.009 . 1 . . . . 29 SER QB . 7249 1 423 . 1 1 45 45 SER C C 13 176.361 0.200 . 1 . . . . 29 SER C . 7249 1 424 . 1 1 45 45 SER CA C 13 63.291 0.096 . 1 . . . . 29 SER CA . 7249 1 425 . 1 1 45 45 SER CB C 13 62.284 0.504 . 1 . . . . 29 SER CB . 7249 1 426 . 1 1 45 45 SER N N 15 117.258 0.036 . 1 . . . . 29 SER N . 7249 1 427 . 1 1 46 46 CYS H H 1 8.127 0.006 . 1 . . . . 30 CYS H . 7249 1 428 . 1 1 46 46 CYS HA H 1 4.149 0.008 . 1 . . . . 30 CYS HA . 7249 1 429 . 1 1 46 46 CYS HB2 H 1 3.070 0.007 . 2 . . . . 30 CYS HB2 . 7249 1 430 . 1 1 46 46 CYS HB3 H 1 3.283 0.006 . 2 . . . . 30 CYS HB3 . 7249 1 431 . 1 1 46 46 CYS C C 13 178.565 0.200 . 1 . . . . 30 CYS C . 7249 1 432 . 1 1 46 46 CYS CA C 13 62.710 0.050 . 1 . . . . 30 CYS CA . 7249 1 433 . 1 1 46 46 CYS CB C 13 26.236 0.059 . 1 . . . . 30 CYS CB . 7249 1 434 . 1 1 46 46 CYS N N 15 123.100 0.050 . 1 . . . . 30 CYS N . 7249 1 435 . 1 1 47 47 ASN H H 1 7.758 0.005 . 1 . . . . 31 ASN H . 7249 1 436 . 1 1 47 47 ASN HA H 1 4.462 0.004 . 1 . . . . 31 ASN HA . 7249 1 437 . 1 1 47 47 ASN HB2 H 1 2.737 0.008 . 2 . . . . 31 ASN HB2 . 7249 1 438 . 1 1 47 47 ASN HB3 H 1 2.924 0.019 . 2 . . . . 31 ASN HB3 . 7249 1 439 . 1 1 47 47 ASN C C 13 176.367 0.200 . 1 . . . . 31 ASN C . 7249 1 440 . 1 1 47 47 ASN CA C 13 55.981 0.076 . 1 . . . . 31 ASN CA . 7249 1 441 . 1 1 47 47 ASN CB C 13 37.881 0.108 . 1 . . . . 31 ASN CB . 7249 1 442 . 1 1 47 47 ASN N N 15 119.987 0.039 . 1 . . . . 31 ASN N . 7249 1 443 . 1 1 48 48 TYR H H 1 7.835 0.008 . 1 . . . . 32 TYR H . 7249 1 444 . 1 1 48 48 TYR HA H 1 4.570 0.009 . 1 . . . . 32 TYR HA . 7249 1 445 . 1 1 48 48 TYR HB2 H 1 2.651 0.011 . 2 . . . . 32 TYR HB2 . 7249 1 446 . 1 1 48 48 TYR HB3 H 1 3.620 0.005 . 2 . . . . 32 TYR HB3 . 7249 1 447 . 1 1 48 48 TYR HD1 H 1 7.337 0.025 . 1 . . . . 32 TYR QD . 7249 1 448 . 1 1 48 48 TYR HD2 H 1 7.337 0.025 . 1 . . . . 32 TYR QD . 7249 1 449 . 1 1 48 48 TYR HE1 H 1 6.896 0.025 . 1 . . . . 32 TYR QE . 7249 1 450 . 1 1 48 48 TYR HE2 H 1 6.896 0.025 . 1 . . . . 32 TYR QE . 7249 1 451 . 1 1 48 48 TYR C C 13 174.020 0.200 . 1 . . . . 32 TYR C . 7249 1 452 . 1 1 48 48 TYR CA C 13 58.304 0.087 . 1 . . . . 32 TYR CA . 7249 1 453 . 1 1 48 48 TYR CB C 13 38.224 0.060 . 1 . . . . 32 TYR CB . 7249 1 454 . 1 1 48 48 TYR CD1 C 13 132.509 0.200 . 3 . . . . 32 TYR CD1 . 7249 1 455 . 1 1 48 48 TYR CE1 C 13 117.487 0.200 . 3 . . . . 32 TYR CE1 . 7249 1 456 . 1 1 48 48 TYR N N 15 116.884 0.060 . 1 . . . . 32 TYR N . 7249 1 457 . 1 1 49 49 LYS H H 1 7.781 0.003 . 1 . . . . 33 LYS H . 7249 1 458 . 1 1 49 49 LYS HA H 1 4.154 0.010 . 1 . . . . 33 LYS HA . 7249 1 459 . 1 1 49 49 LYS HB2 H 1 2.128 0.019 . 1 . . . . 33 LYS QB . 7249 1 460 . 1 1 49 49 LYS HB3 H 1 2.128 0.019 . 1 . . . . 33 LYS QB . 7249 1 461 . 1 1 49 49 LYS HG2 H 1 1.424 0.005 . 1 . . . . 33 LYS QG . 7249 1 462 . 1 1 49 49 LYS HG3 H 1 1.424 0.005 . 1 . . . . 33 LYS QG . 7249 1 463 . 1 1 49 49 LYS HE2 H 1 3.032 0.003 . 1 . . . . 33 LYS QE . 7249 1 464 . 1 1 49 49 LYS HE3 H 1 3.032 0.003 . 1 . . . . 33 LYS QE . 7249 1 465 . 1 1 49 49 LYS C C 13 176.322 0.200 . 1 . . . . 33 LYS C . 7249 1 466 . 1 1 49 49 LYS CA C 13 57.427 0.056 . 1 . . . . 33 LYS CA . 7249 1 467 . 1 1 49 49 LYS CB C 13 28.585 0.186 . 1 . . . . 33 LYS CB . 7249 1 468 . 1 1 49 49 LYS CG C 13 25.194 0.044 . 1 . . . . 33 LYS CG . 7249 1 469 . 1 1 49 49 LYS CE C 13 42.352 0.018 . 1 . . . . 33 LYS CE . 7249 1 470 . 1 1 49 49 LYS N N 15 114.840 0.065 . 1 . . . . 33 LYS N . 7249 1 471 . 1 1 50 50 GLN H H 1 8.543 0.008 . 1 . . . . 34 GLN H . 7249 1 472 . 1 1 50 50 GLN HA H 1 4.606 0.007 . 1 . . . . 34 GLN HA . 7249 1 473 . 1 1 50 50 GLN HB2 H 1 1.772 0.004 . 2 . . . . 34 GLN HB2 . 7249 1 474 . 1 1 50 50 GLN HB3 H 1 2.524 0.005 . 2 . . . . 34 GLN HB3 . 7249 1 475 . 1 1 50 50 GLN HG2 H 1 2.324 0.003 . 1 . . . . 34 GLN QG . 7249 1 476 . 1 1 50 50 GLN HG3 H 1 2.324 0.003 . 1 . . . . 34 GLN QG . 7249 1 477 . 1 1 50 50 GLN C C 13 173.384 0.200 . 1 . . . . 34 GLN C . 7249 1 478 . 1 1 50 50 GLN CA C 13 54.344 0.077 . 1 . . . . 34 GLN CA . 7249 1 479 . 1 1 50 50 GLN CB C 13 31.137 0.063 . 1 . . . . 34 GLN CB . 7249 1 480 . 1 1 50 50 GLN CG C 13 36.093 0.071 . 1 . . . . 34 GLN CG . 7249 1 481 . 1 1 50 50 GLN N N 15 117.221 0.040 . 1 . . . . 34 GLN N . 7249 1 482 . 1 1 51 51 LEU H H 1 7.343 0.007 . 1 . . . . 35 LEU H . 7249 1 483 . 1 1 51 51 LEU HA H 1 5.294 0.006 . 1 . . . . 35 LEU HA . 7249 1 484 . 1 1 51 51 LEU HB2 H 1 1.405 0.014 . 2 . . . . 35 LEU HB2 . 7249 1 485 . 1 1 51 51 LEU HB3 H 1 1.667 0.016 . 2 . . . . 35 LEU HB3 . 7249 1 486 . 1 1 51 51 LEU HG H 1 0.972 0.006 . 1 . . . . 35 LEU HG . 7249 1 487 . 1 1 51 51 LEU HD11 H 1 0.883 0.025 . 1 . . . . 35 LEU QD . 7249 1 488 . 1 1 51 51 LEU HD12 H 1 0.883 0.025 . 1 . . . . 35 LEU QD . 7249 1 489 . 1 1 51 51 LEU HD13 H 1 0.883 0.025 . 1 . . . . 35 LEU QD . 7249 1 490 . 1 1 51 51 LEU HD21 H 1 0.883 0.025 . 1 . . . . 35 LEU QD . 7249 1 491 . 1 1 51 51 LEU HD22 H 1 0.883 0.025 . 1 . . . . 35 LEU QD . 7249 1 492 . 1 1 51 51 LEU HD23 H 1 0.883 0.025 . 1 . . . . 35 LEU QD . 7249 1 493 . 1 1 51 51 LEU C C 13 176.616 0.200 . 1 . . . . 35 LEU C . 7249 1 494 . 1 1 51 51 LEU CA C 13 53.598 0.090 . 1 . . . . 35 LEU CA . 7249 1 495 . 1 1 51 51 LEU CB C 13 45.873 0.077 . 1 . . . . 35 LEU CB . 7249 1 496 . 1 1 51 51 LEU CG C 13 25.679 0.076 . 1 . . . . 35 LEU CG . 7249 1 497 . 1 1 51 51 LEU CD1 C 13 23.695 0.200 . 1 . . . . 35 LEU CD . 7249 1 498 . 1 1 51 51 LEU CD2 C 13 23.695 0.200 . 1 . . . . 35 LEU CD . 7249 1 499 . 1 1 51 51 LEU N N 15 119.835 0.042 . 1 . . . . 35 LEU N . 7249 1 500 . 1 1 52 52 ARG H H 1 9.174 0.005 . 1 . . . . 36 ARG H . 7249 1 501 . 1 1 52 52 ARG HA H 1 4.871 0.047 . 1 . . . . 36 ARG HA . 7249 1 502 . 1 1 52 52 ARG HB2 H 1 1.684 0.023 . 1 . . . . 36 ARG HB . 7249 1 503 . 1 1 52 52 ARG HB3 H 1 1.684 0.023 . 1 . . . . 36 ARG HB . 7249 1 504 . 1 1 52 52 ARG HG2 H 1 1.515 0.013 . 1 . . . . 36 ARG QG . 7249 1 505 . 1 1 52 52 ARG HG3 H 1 1.515 0.013 . 1 . . . . 36 ARG QG . 7249 1 506 . 1 1 52 52 ARG HD2 H 1 3.281 0.004 . 2 . . . . 36 ARG HD2 . 7249 1 507 . 1 1 52 52 ARG HD3 H 1 3.169 0.009 . 2 . . . . 36 ARG HD3 . 7249 1 508 . 1 1 52 52 ARG C C 13 174.979 0.200 . 1 . . . . 36 ARG C . 7249 1 509 . 1 1 52 52 ARG CA C 13 53.123 0.131 . 1 . . . . 36 ARG CA . 7249 1 510 . 1 1 52 52 ARG CB C 13 31.871 0.119 . 1 . . . . 36 ARG CB . 7249 1 511 . 1 1 52 52 ARG CG C 13 26.114 0.117 . 1 . . . . 36 ARG CG . 7249 1 512 . 1 1 52 52 ARG CD C 13 42.005 0.095 . 1 . . . . 36 ARG CD . 7249 1 513 . 1 1 52 52 ARG N N 15 125.462 0.090 . 1 . . . . 36 ARG N . 7249 1 514 . 1 1 53 53 LYS H H 1 9.215 0.031 . 1 . . . . 37 LYS H . 7249 1 515 . 1 1 53 53 LYS HA H 1 4.583 0.024 . 1 . . . . 37 LYS HA . 7249 1 516 . 1 1 53 53 LYS HB2 H 1 1.736 0.010 . 2 . . . . 37 LYS HB2 . 7249 1 517 . 1 1 53 53 LYS HB3 H 1 1.925 0.006 . 2 . . . . 37 LYS HB3 . 7249 1 518 . 1 1 53 53 LYS HG2 H 1 1.425 0.025 . 1 . . . . 37 LYS QG . 7249 1 519 . 1 1 53 53 LYS HG3 H 1 1.425 0.025 . 1 . . . . 37 LYS QG . 7249 1 520 . 1 1 53 53 LYS HE2 H 1 2.972 0.024 . 1 . . . . 37 LYS QE . 7249 1 521 . 1 1 53 53 LYS HE3 H 1 2.972 0.024 . 1 . . . . 37 LYS QE . 7249 1 522 . 1 1 53 53 LYS C C 13 175.252 0.200 . 1 . . . . 37 LYS C . 7249 1 523 . 1 1 53 53 LYS CA C 13 56.074 0.182 . 1 . . . . 37 LYS CA . 7249 1 524 . 1 1 53 53 LYS CB C 13 35.100 0.079 . 1 . . . . 37 LYS CB . 7249 1 525 . 1 1 53 53 LYS CG C 13 23.891 0.092 . 1 . . . . 37 LYS CG . 7249 1 526 . 1 1 53 53 LYS N N 15 122.614 0.062 . 1 . . . . 37 LYS N . 7249 1 527 . 1 1 54 54 GLY H H 1 8.404 0.014 . 1 . . . . 38 GLY H . 7249 1 528 . 1 1 54 54 GLY HA2 H 1 4.861 0.025 . 2 . . . . 38 GLY HA2 . 7249 1 529 . 1 1 54 54 GLY HA3 H 1 4.073 0.007 . 2 . . . . 38 GLY HA3 . 7249 1 530 . 1 1 54 54 GLY C C 13 174.044 0.200 . 1 . . . . 38 GLY C . 7249 1 531 . 1 1 54 54 GLY CA C 13 44.429 0.106 . 1 . . . . 38 GLY CA . 7249 1 532 . 1 1 54 54 GLY N N 15 110.534 0.094 . 1 . . . . 38 GLY N . 7249 1 533 . 1 1 55 55 ALA H H 1 9.149 0.013 . 1 . . . . 39 ALA H . 7249 1 534 . 1 1 55 55 ALA HA H 1 3.751 0.003 . 1 . . . . 39 ALA HA . 7249 1 535 . 1 1 55 55 ALA HB1 H 1 1.442 0.007 . 1 . . . . 39 ALA HB . 7249 1 536 . 1 1 55 55 ALA HB2 H 1 1.442 0.007 . 1 . . . . 39 ALA HB . 7249 1 537 . 1 1 55 55 ALA HB3 H 1 1.442 0.007 . 1 . . . . 39 ALA HB . 7249 1 538 . 1 1 55 55 ALA CA C 13 56.249 0.080 . 1 . . . . 39 ALA CA . 7249 1 539 . 1 1 55 55 ALA CB C 13 18.613 0.126 . 1 . . . . 39 ALA CB . 7249 1 540 . 1 1 55 55 ALA N N 15 124.055 0.045 . 1 . . . . 39 ALA N . 7249 1 541 . 1 1 56 56 ASN H H 1 9.085 0.030 . 1 . . . . 40 ASN H . 7249 1 542 . 1 1 56 56 ASN HA H 1 4.470 0.004 . 1 . . . . 40 ASN HA . 7249 1 543 . 1 1 56 56 ASN HB2 H 1 2.945 0.008 . 1 . . . . 40 ASN QB . 7249 1 544 . 1 1 56 56 ASN HB3 H 1 2.945 0.008 . 1 . . . . 40 ASN QB . 7249 1 545 . 1 1 56 56 ASN C C 13 178.392 0.200 . 1 . . . . 40 ASN C . 7249 1 546 . 1 1 56 56 ASN CA C 13 56.776 0.136 . 1 . . . . 40 ASN CA . 7249 1 547 . 1 1 56 56 ASN CB C 13 37.480 0.060 . 1 . . . . 40 ASN CB . 7249 1 548 . 1 1 56 56 ASN N N 15 119.942 0.094 . 1 . . . . 40 ASN N . 7249 1 549 . 1 1 57 57 GLU H H 1 8.857 0.037 . 1 . . . . 41 GLU H . 7249 1 550 . 1 1 57 57 GLU HA H 1 4.038 0.033 . 1 . . . . 41 GLU HA . 7249 1 551 . 1 1 57 57 GLU HB2 H 1 1.858 0.005 . 1 . . . . 41 GLU QB . 7249 1 552 . 1 1 57 57 GLU HB3 H 1 1.858 0.005 . 1 . . . . 41 GLU QB . 7249 1 553 . 1 1 57 57 GLU HG2 H 1 2.508 0.009 . 1 . . . . 41 GLU QG . 7249 1 554 . 1 1 57 57 GLU HG3 H 1 2.508 0.009 . 1 . . . . 41 GLU QG . 7249 1 555 . 1 1 57 57 GLU C C 13 179.745 0.200 . 1 . . . . 41 GLU C . 7249 1 556 . 1 1 57 57 GLU CA C 13 59.148 0.054 . 1 . . . . 41 GLU CA . 7249 1 557 . 1 1 57 57 GLU CB C 13 29.180 0.027 . 1 . . . . 41 GLU CB . 7249 1 558 . 1 1 57 57 GLU CG C 13 36.598 0.053 . 1 . . . . 41 GLU CG . 7249 1 559 . 1 1 57 57 GLU N N 15 120.930 0.029 . 1 . . . . 41 GLU N . 7249 1 560 . 1 1 58 58 ALA H H 1 8.722 0.011 . 1 . . . . 42 ALA H . 7249 1 561 . 1 1 58 58 ALA HA H 1 3.804 0.006 . 1 . . . . 42 ALA HA . 7249 1 562 . 1 1 58 58 ALA HB1 H 1 1.178 0.008 . 1 . . . . 42 ALA HB . 7249 1 563 . 1 1 58 58 ALA HB2 H 1 1.178 0.008 . 1 . . . . 42 ALA HB . 7249 1 564 . 1 1 58 58 ALA HB3 H 1 1.178 0.008 . 1 . . . . 42 ALA HB . 7249 1 565 . 1 1 58 58 ALA C C 13 180.520 0.200 . 1 . . . . 42 ALA C . 7249 1 566 . 1 1 58 58 ALA CA C 13 55.633 0.073 . 1 . . . . 42 ALA CA . 7249 1 567 . 1 1 58 58 ALA CB C 13 17.119 0.105 . 1 . . . . 42 ALA CB . 7249 1 568 . 1 1 58 58 ALA N N 15 121.374 0.091 . 1 . . . . 42 ALA N . 7249 1 569 . 1 1 59 59 THR H H 1 8.285 0.008 . 1 . . . . 43 THR H . 7249 1 570 . 1 1 59 59 THR HA H 1 3.582 0.005 . 1 . . . . 43 THR HA . 7249 1 571 . 1 1 59 59 THR HB H 1 4.511 0.007 . 1 . . . . 43 THR HB . 7249 1 572 . 1 1 59 59 THR HG21 H 1 1.224 0.002 . 1 . . . . 43 THR HG2 . 7249 1 573 . 1 1 59 59 THR HG22 H 1 1.224 0.002 . 1 . . . . 43 THR HG2 . 7249 1 574 . 1 1 59 59 THR HG23 H 1 1.224 0.002 . 1 . . . . 43 THR HG2 . 7249 1 575 . 1 1 59 59 THR C C 13 175.500 0.200 . 1 . . . . 43 THR C . 7249 1 576 . 1 1 59 59 THR CA C 13 67.840 0.131 . 1 . . . . 43 THR CA . 7249 1 577 . 1 1 59 59 THR CB C 13 68.639 0.071 . 1 . . . . 43 THR CB . 7249 1 578 . 1 1 59 59 THR CG2 C 13 21.272 0.051 . 1 . . . . 43 THR CG2 . 7249 1 579 . 1 1 59 59 THR N N 15 117.504 0.033 . 1 . . . . 43 THR N . 7249 1 580 . 1 1 60 60 LYS H H 1 7.849 0.003 . 1 . . . . 44 LYS H . 7249 1 581 . 1 1 60 60 LYS HA H 1 4.131 0.010 . 1 . . . . 44 LYS HA . 7249 1 582 . 1 1 60 60 LYS HB2 H 1 1.912 0.011 . 1 . . . . 44 LYS QB . 7249 1 583 . 1 1 60 60 LYS HB3 H 1 1.912 0.011 . 1 . . . . 44 LYS QB . 7249 1 584 . 1 1 60 60 LYS HG2 H 1 1.607 0.016 . 1 . . . . 44 LYS QG . 7249 1 585 . 1 1 60 60 LYS HG3 H 1 1.607 0.016 . 1 . . . . 44 LYS QG . 7249 1 586 . 1 1 60 60 LYS HE2 H 1 3.014 0.009 . 1 . . . . 44 LYS QE . 7249 1 587 . 1 1 60 60 LYS HE3 H 1 3.014 0.009 . 1 . . . . 44 LYS QE . 7249 1 588 . 1 1 60 60 LYS C C 13 179.382 0.200 . 1 . . . . 44 LYS C . 7249 1 589 . 1 1 60 60 LYS CA C 13 60.426 0.064 . 1 . . . . 44 LYS CA . 7249 1 590 . 1 1 60 60 LYS CB C 13 32.326 0.075 . 1 . . . . 44 LYS CB . 7249 1 591 . 1 1 60 60 LYS CG C 13 25.434 0.052 . 1 . . . . 44 LYS CG . 7249 1 592 . 1 1 60 60 LYS CD C 13 29.701 0.200 . 1 . . . . 44 LYS CD . 7249 1 593 . 1 1 60 60 LYS CE C 13 42.272 0.040 . 1 . . . . 44 LYS CE . 7249 1 594 . 1 1 60 60 LYS N N 15 121.232 0.057 . 1 . . . . 44 LYS N . 7249 1 595 . 1 1 61 61 THR H H 1 7.975 0.005 . 1 . . . . 45 THR H . 7249 1 596 . 1 1 61 61 THR HA H 1 3.893 0.003 . 1 . . . . 45 THR HA . 7249 1 597 . 1 1 61 61 THR HB H 1 3.789 0.004 . 1 . . . . 45 THR HB . 7249 1 598 . 1 1 61 61 THR HG21 H 1 1.260 0.006 . 1 . . . . 45 THR HG2 . 7249 1 599 . 1 1 61 61 THR HG22 H 1 1.260 0.006 . 1 . . . . 45 THR HG2 . 7249 1 600 . 1 1 61 61 THR HG23 H 1 1.260 0.006 . 1 . . . . 45 THR HG2 . 7249 1 601 . 1 1 61 61 THR C C 13 175.620 0.200 . 1 . . . . 45 THR C . 7249 1 602 . 1 1 61 61 THR CA C 13 64.695 0.053 . 1 . . . . 45 THR CA . 7249 1 603 . 1 1 61 61 THR CB C 13 69.102 0.016 . 1 . . . . 45 THR CB . 7249 1 604 . 1 1 61 61 THR CG2 C 13 22.976 0.043 . 1 . . . . 45 THR CG2 . 7249 1 605 . 1 1 61 61 THR N N 15 107.191 0.104 . 1 . . . . 45 THR N . 7249 1 606 . 1 1 62 62 LEU H H 1 7.312 0.006 . 1 . . . . 46 LEU H . 7249 1 607 . 1 1 62 62 LEU HA H 1 4.175 0.010 . 1 . . . . 46 LEU HA . 7249 1 608 . 1 1 62 62 LEU HB2 H 1 2.162 0.021 . 2 . . . . 46 LEU HB2 . 7249 1 609 . 1 1 62 62 LEU HB3 H 1 1.171 0.012 . 2 . . . . 46 LEU HB3 . 7249 1 610 . 1 1 62 62 LEU HG H 1 1.615 0.001 . 1 . . . . 46 LEU HG . 7249 1 611 . 1 1 62 62 LEU HD11 H 1 0.810 0.005 . 1 . . . . 46 LEU QD . 7249 1 612 . 1 1 62 62 LEU HD12 H 1 0.810 0.005 . 1 . . . . 46 LEU QD . 7249 1 613 . 1 1 62 62 LEU HD13 H 1 0.810 0.005 . 1 . . . . 46 LEU QD . 7249 1 614 . 1 1 62 62 LEU HD21 H 1 0.810 0.005 . 1 . . . . 46 LEU QD . 7249 1 615 . 1 1 62 62 LEU HD22 H 1 0.810 0.005 . 1 . . . . 46 LEU QD . 7249 1 616 . 1 1 62 62 LEU HD23 H 1 0.810 0.005 . 1 . . . . 46 LEU QD . 7249 1 617 . 1 1 62 62 LEU C C 13 179.981 0.200 . 1 . . . . 46 LEU C . 7249 1 618 . 1 1 62 62 LEU CA C 13 57.081 0.081 . 1 . . . . 46 LEU CA . 7249 1 619 . 1 1 62 62 LEU CB C 13 42.273 0.050 . 1 . . . . 46 LEU CB . 7249 1 620 . 1 1 62 62 LEU CD1 C 13 27.533 0.012 . 1 . . . . 46 LEU CD . 7249 1 621 . 1 1 62 62 LEU CD2 C 13 27.533 0.012 . 1 . . . . 46 LEU CD . 7249 1 622 . 1 1 62 62 LEU N N 15 123.229 0.047 . 1 . . . . 46 LEU N . 7249 1 623 . 1 1 63 63 ASN H H 1 8.204 0.004 . 1 . . . . 47 ASN H . 7249 1 624 . 1 1 63 63 ASN HA H 1 4.470 0.007 . 1 . . . . 47 ASN HA . 7249 1 625 . 1 1 63 63 ASN HB2 H 1 2.911 0.023 . 1 . . . . 47 ASN QB . 7249 1 626 . 1 1 63 63 ASN HB3 H 1 2.911 0.023 . 1 . . . . 47 ASN QB . 7249 1 627 . 1 1 63 63 ASN C C 13 177.496 0.200 . 1 . . . . 47 ASN C . 7249 1 628 . 1 1 63 63 ASN CA C 13 56.099 0.134 . 1 . . . . 47 ASN CA . 7249 1 629 . 1 1 63 63 ASN CB C 13 38.115 0.085 . 1 . . . . 47 ASN CB . 7249 1 630 . 1 1 63 63 ASN N N 15 119.117 0.043 . 1 . . . . 47 ASN N . 7249 1 631 . 1 1 64 64 ARG H H 1 7.996 0.008 . 1 . . . . 48 ARG H . 7249 1 632 . 1 1 64 64 ARG HA H 1 4.347 0.008 . 1 . . . . 48 ARG HA . 7249 1 633 . 1 1 64 64 ARG HB2 H 1 2.040 0.012 . 2 . . . . 48 ARG HB2 . 7249 1 634 . 1 1 64 64 ARG HB3 H 1 1.647 0.008 . 2 . . . . 48 ARG HB3 . 7249 1 635 . 1 1 64 64 ARG HG2 H 1 1.721 0.011 . 1 . . . . 48 ARG QG . 7249 1 636 . 1 1 64 64 ARG HG3 H 1 1.721 0.011 . 1 . . . . 48 ARG QG . 7249 1 637 . 1 1 64 64 ARG HD2 H 1 3.236 0.012 . 1 . . . . 48 ARG QD . 7249 1 638 . 1 1 64 64 ARG HD3 H 1 3.236 0.012 . 1 . . . . 48 ARG QD . 7249 1 639 . 1 1 64 64 ARG C C 13 176.333 0.200 . 1 . . . . 48 ARG C . 7249 1 640 . 1 1 64 64 ARG CA C 13 56.110 0.092 . 1 . . . . 48 ARG CA . 7249 1 641 . 1 1 64 64 ARG CB C 13 31.494 0.032 . 1 . . . . 48 ARG CB . 7249 1 642 . 1 1 64 64 ARG CG C 13 27.602 0.003 . 1 . . . . 48 ARG CG . 7249 1 643 . 1 1 64 64 ARG CD C 13 43.217 0.006 . 1 . . . . 48 ARG CD . 7249 1 644 . 1 1 64 64 ARG N N 15 115.846 0.046 . 1 . . . . 48 ARG N . 7249 1 645 . 1 1 65 65 GLY H H 1 7.577 0.003 . 1 . . . . 49 GLY H . 7249 1 646 . 1 1 65 65 GLY HA2 H 1 4.103 0.008 . 2 . . . . 49 GLY HA2 . 7249 1 647 . 1 1 65 65 GLY HA3 H 1 4.050 0.021 . 2 . . . . 49 GLY HA3 . 7249 1 648 . 1 1 65 65 GLY C C 13 175.842 0.200 . 1 . . . . 49 GLY C . 7249 1 649 . 1 1 65 65 GLY CA C 13 46.848 0.089 . 1 . . . . 49 GLY CA . 7249 1 650 . 1 1 65 65 GLY N N 15 108.418 0.103 . 1 . . . . 49 GLY N . 7249 1 651 . 1 1 66 66 ILE H H 1 7.932 0.006 . 1 . . . . 50 ILE H . 7249 1 652 . 1 1 66 66 ILE HA H 1 4.767 0.004 . 1 . . . . 50 ILE HA . 7249 1 653 . 1 1 66 66 ILE HB H 1 2.448 0.007 . 1 . . . . 50 ILE HB . 7249 1 654 . 1 1 66 66 ILE HG21 H 1 0.803 0.006 . 1 . . . . 50 ILE HG2 . 7249 1 655 . 1 1 66 66 ILE HG22 H 1 0.803 0.006 . 1 . . . . 50 ILE HG2 . 7249 1 656 . 1 1 66 66 ILE HG23 H 1 0.803 0.006 . 1 . . . . 50 ILE HG2 . 7249 1 657 . 1 1 66 66 ILE HD11 H 1 0.909 0.008 . 1 . . . . 50 ILE HD1 . 7249 1 658 . 1 1 66 66 ILE HD12 H 1 0.909 0.008 . 1 . . . . 50 ILE HD1 . 7249 1 659 . 1 1 66 66 ILE HD13 H 1 0.909 0.008 . 1 . . . . 50 ILE HD1 . 7249 1 660 . 1 1 66 66 ILE C C 13 174.772 0.200 . 1 . . . . 50 ILE C . 7249 1 661 . 1 1 66 66 ILE CA C 13 60.209 0.074 . 1 . . . . 50 ILE CA . 7249 1 662 . 1 1 66 66 ILE CB C 13 38.932 0.095 . 1 . . . . 50 ILE CB . 7249 1 663 . 1 1 66 66 ILE CG1 C 13 27.139 0.016 . 1 . . . . 50 ILE CG1 . 7249 1 664 . 1 1 66 66 ILE CG2 C 13 16.868 0.085 . 1 . . . . 50 ILE CG2 . 7249 1 665 . 1 1 66 66 ILE CD1 C 13 13.824 0.037 . 1 . . . . 50 ILE CD1 . 7249 1 666 . 1 1 66 66 ILE N N 15 109.219 0.076 . 1 . . . . 50 ILE N . 7249 1 667 . 1 1 66 66 ILE HG12 H 1 1.044 0.010 . 1 . . . . 50 ILE QG . 7249 1 668 . 1 1 66 66 ILE HG13 H 1 1.044 0.010 . 1 . . . . 50 ILE QG . 7249 1 669 . 1 1 67 67 SER H H 1 8.145 0.017 . 1 . . . . 51 SER H . 7249 1 670 . 1 1 67 67 SER HA H 1 4.332 0.005 . 1 . . . . 51 SER HA . 7249 1 671 . 1 1 67 67 SER HB2 H 1 3.552 0.002 . 2 . . . . 51 SER HB2 . 7249 1 672 . 1 1 67 67 SER HB3 H 1 3.332 0.003 . 2 . . . . 51 SER HB3 . 7249 1 673 . 1 1 67 67 SER C C 13 176.513 0.200 . 1 . . . . 51 SER C . 7249 1 674 . 1 1 67 67 SER CA C 13 58.237 0.072 . 1 . . . . 51 SER CA . 7249 1 675 . 1 1 67 67 SER CB C 13 64.636 0.081 . 1 . . . . 51 SER CB . 7249 1 676 . 1 1 67 67 SER N N 15 116.951 0.055 . 1 . . . . 51 SER N . 7249 1 677 . 1 1 68 68 GLU H H 1 9.957 0.013 . 1 . . . . 52 GLU H . 7249 1 678 . 1 1 68 68 GLU HA H 1 4.518 0.010 . 1 . . . . 52 GLU HA . 7249 1 679 . 1 1 68 68 GLU HB2 H 1 1.426 0.009 . 2 . . . . 52 GLU HB2 . 7249 1 680 . 1 1 68 68 GLU HB3 H 1 1.922 0.002 . 2 . . . . 52 GLU HB3 . 7249 1 681 . 1 1 68 68 GLU C C 13 178.460 0.200 . 1 . . . . 52 GLU C . 7249 1 682 . 1 1 68 68 GLU CA C 13 58.149 0.040 . 1 . . . . 52 GLU CA . 7249 1 683 . 1 1 68 68 GLU CB C 13 30.486 0.092 . 1 . . . . 52 GLU CB . 7249 1 684 . 1 1 68 68 GLU CG C 13 33.940 0.200 . 1 . . . . 52 GLU CG . 7249 1 685 . 1 1 68 68 GLU N N 15 127.042 0.079 . 1 . . . . 52 GLU N . 7249 1 686 . 1 1 69 69 PHE H H 1 7.172 0.006 . 1 . . . . 53 PHE H . 7249 1 687 . 1 1 69 69 PHE HA H 1 4.874 0.006 . 1 . . . . 53 PHE HA . 7249 1 688 . 1 1 69 69 PHE HB2 H 1 2.722 0.008 . 2 . . . . 53 PHE HB2 . 7249 1 689 . 1 1 69 69 PHE HB3 H 1 3.597 0.004 . 2 . . . . 53 PHE HB3 . 7249 1 690 . 1 1 69 69 PHE HD1 H 1 6.692 0.004 . 1 . . . . 53 PHE QD . 7249 1 691 . 1 1 69 69 PHE HD2 H 1 6.692 0.004 . 1 . . . . 53 PHE QD . 7249 1 692 . 1 1 69 69 PHE HE1 H 1 6.867 0.025 . 1 . . . . 53 PHE QE . 7249 1 693 . 1 1 69 69 PHE HE2 H 1 6.867 0.025 . 1 . . . . 53 PHE QE . 7249 1 694 . 1 1 69 69 PHE C C 13 171.863 0.200 . 1 . . . . 53 PHE C . 7249 1 695 . 1 1 69 69 PHE CA C 13 57.195 0.067 . 1 . . . . 53 PHE CA . 7249 1 696 . 1 1 69 69 PHE CB C 13 39.321 0.081 . 1 . . . . 53 PHE CB . 7249 1 697 . 1 1 69 69 PHE CD1 C 13 131.343 0.200 . 3 . . . . 53 PHE CD1 . 7249 1 698 . 1 1 69 69 PHE CE1 C 13 129.145 0.200 . 3 . . . . 53 PHE CE1 . 7249 1 699 . 1 1 69 69 PHE N N 15 109.901 0.107 . 1 . . . . 53 PHE N . 7249 1 700 . 1 1 70 70 ILE H H 1 8.006 0.006 . 1 . . . . 54 ILE H . 7249 1 701 . 1 1 70 70 ILE HA H 1 4.961 0.005 . 1 . . . . 54 ILE HA . 7249 1 702 . 1 1 70 70 ILE HB H 1 1.954 0.009 . 1 . . . . 54 ILE HB . 7249 1 703 . 1 1 70 70 ILE HG21 H 1 0.727 0.008 . 1 . . . . 54 ILE HG2 . 7249 1 704 . 1 1 70 70 ILE HG22 H 1 0.727 0.008 . 1 . . . . 54 ILE HG2 . 7249 1 705 . 1 1 70 70 ILE HG23 H 1 0.727 0.008 . 1 . . . . 54 ILE HG2 . 7249 1 706 . 1 1 70 70 ILE HD11 H 1 0.617 0.006 . 1 . . . . 54 ILE HD1 . 7249 1 707 . 1 1 70 70 ILE HD12 H 1 0.617 0.006 . 1 . . . . 54 ILE HD1 . 7249 1 708 . 1 1 70 70 ILE HD13 H 1 0.617 0.006 . 1 . . . . 54 ILE HD1 . 7249 1 709 . 1 1 70 70 ILE C C 13 174.753 0.200 . 1 . . . . 54 ILE C . 7249 1 710 . 1 1 70 70 ILE CA C 13 57.063 0.080 . 1 . . . . 54 ILE CA . 7249 1 711 . 1 1 70 70 ILE CB C 13 39.822 0.087 . 1 . . . . 54 ILE CB . 7249 1 712 . 1 1 70 70 ILE CG1 C 13 27.555 0.059 . 1 . . . . 54 ILE CG1 . 7249 1 713 . 1 1 70 70 ILE CG2 C 13 17.067 0.086 . 1 . . . . 54 ILE CG2 . 7249 1 714 . 1 1 70 70 ILE CD1 C 13 12.695 0.079 . 1 . . . . 54 ILE CD1 . 7249 1 715 . 1 1 70 70 ILE N N 15 118.642 0.048 . 1 . . . . 54 ILE N . 7249 1 716 . 1 1 70 70 ILE HG12 H 1 1.231 0.009 . 1 . . . . 54 ILE QG . 7249 1 717 . 1 1 70 70 ILE HG13 H 1 1.231 0.009 . 1 . . . . 54 ILE QG . 7249 1 718 . 1 1 71 71 VAL H H 1 8.152 0.005 . 1 . . . . 55 VAL H . 7249 1 719 . 1 1 71 71 VAL HA H 1 4.972 0.006 . 1 . . . . 55 VAL HA . 7249 1 720 . 1 1 71 71 VAL HB H 1 1.895 0.008 . 1 . . . . 55 VAL HB . 7249 1 721 . 1 1 71 71 VAL HG11 H 1 0.857 0.014 . 1 . . . . 55 VAL QG . 7249 1 722 . 1 1 71 71 VAL HG12 H 1 0.857 0.014 . 1 . . . . 55 VAL QG . 7249 1 723 . 1 1 71 71 VAL HG13 H 1 0.857 0.014 . 1 . . . . 55 VAL QG . 7249 1 724 . 1 1 71 71 VAL HG21 H 1 0.857 0.014 . 1 . . . . 55 VAL QG . 7249 1 725 . 1 1 71 71 VAL HG22 H 1 0.857 0.014 . 1 . . . . 55 VAL QG . 7249 1 726 . 1 1 71 71 VAL HG23 H 1 0.857 0.014 . 1 . . . . 55 VAL QG . 7249 1 727 . 1 1 71 71 VAL C C 13 174.788 0.200 . 1 . . . . 55 VAL C . 7249 1 728 . 1 1 71 71 VAL CA C 13 60.042 0.043 . 1 . . . . 55 VAL CA . 7249 1 729 . 1 1 71 71 VAL CB C 13 33.894 0.041 . 1 . . . . 55 VAL CB . 7249 1 730 . 1 1 71 71 VAL CG1 C 13 23.600 0.113 . 1 . . . . 55 VAL CG1 . 7249 1 731 . 1 1 71 71 VAL N N 15 123.274 0.053 . 1 . . . . 55 VAL N . 7249 1 732 . 1 1 72 72 MET H H 1 8.448 0.006 . 1 . . . . 56 MET H . 7249 1 733 . 1 1 72 72 MET HA H 1 4.846 0.004 . 1 . . . . 56 MET HA . 7249 1 734 . 1 1 72 72 MET HB2 H 1 0.630 0.011 . 2 . . . . 56 MET HB2 . 7249 1 735 . 1 1 72 72 MET HB3 H 1 1.801 0.024 . 2 . . . . 56 MET HB3 . 7249 1 736 . 1 1 72 72 MET HG2 H 1 1.882 0.006 . 1 . . . . 56 MET QG . 7249 1 737 . 1 1 72 72 MET HG3 H 1 1.882 0.006 . 1 . . . . 56 MET QG . 7249 1 738 . 1 1 72 72 MET HE1 H 1 2.087 0.001 . 1 . . . . 56 MET HE . 7249 1 739 . 1 1 72 72 MET HE2 H 1 2.087 0.001 . 1 . . . . 56 MET HE . 7249 1 740 . 1 1 72 72 MET HE3 H 1 2.087 0.001 . 1 . . . . 56 MET HE . 7249 1 741 . 1 1 72 72 MET C C 13 173.485 0.200 . 1 . . . . 56 MET C . 7249 1 742 . 1 1 72 72 MET CA C 13 53.331 0.115 . 1 . . . . 56 MET CA . 7249 1 743 . 1 1 72 72 MET CB C 13 37.955 0.076 . 1 . . . . 56 MET CB . 7249 1 744 . 1 1 72 72 MET CG C 13 32.172 0.047 . 1 . . . . 56 MET CG . 7249 1 745 . 1 1 72 72 MET CE C 13 16.987 0.200 . 1 . . . . 56 MET CE . 7249 1 746 . 1 1 72 72 MET N N 15 124.356 0.043 . 1 . . . . 56 MET N . 7249 1 747 . 1 1 73 73 ALA H H 1 8.066 0.005 . 1 . . . . 57 ALA H . 7249 1 748 . 1 1 73 73 ALA HA H 1 4.966 0.003 . 1 . . . . 57 ALA HA . 7249 1 749 . 1 1 73 73 ALA HB1 H 1 1.509 0.001 . 1 . . . . 57 ALA HB . 7249 1 750 . 1 1 73 73 ALA HB2 H 1 1.509 0.001 . 1 . . . . 57 ALA HB . 7249 1 751 . 1 1 73 73 ALA HB3 H 1 1.509 0.001 . 1 . . . . 57 ALA HB . 7249 1 752 . 1 1 73 73 ALA C C 13 176.961 0.200 . 1 . . . . 57 ALA C . 7249 1 753 . 1 1 73 73 ALA CA C 13 50.100 0.128 . 1 . . . . 57 ALA CA . 7249 1 754 . 1 1 73 73 ALA CB C 13 21.132 0.094 . 1 . . . . 57 ALA CB . 7249 1 755 . 1 1 73 73 ALA N N 15 121.897 0.061 . 1 . . . . 57 ALA N . 7249 1 756 . 1 1 74 74 ALA H H 1 9.593 0.014 . 1 . . . . 58 ALA H . 7249 1 757 . 1 1 74 74 ALA HA H 1 4.116 0.005 . 1 . . . . 58 ALA HA . 7249 1 758 . 1 1 74 74 ALA HB1 H 1 1.388 0.007 . 1 . . . . 58 ALA HB . 7249 1 759 . 1 1 74 74 ALA HB2 H 1 1.388 0.007 . 1 . . . . 58 ALA HB . 7249 1 760 . 1 1 74 74 ALA HB3 H 1 1.388 0.007 . 1 . . . . 58 ALA HB . 7249 1 761 . 1 1 74 74 ALA C C 13 176.533 0.200 . 1 . . . . 58 ALA C . 7249 1 762 . 1 1 74 74 ALA CA C 13 53.772 0.064 . 1 . . . . 58 ALA CA . 7249 1 763 . 1 1 74 74 ALA CB C 13 19.806 0.103 . 1 . . . . 58 ALA CB . 7249 1 764 . 1 1 74 74 ALA N N 15 122.107 0.030 . 1 . . . . 58 ALA N . 7249 1 765 . 1 1 75 75 ASP H H 1 8.203 0.004 . 1 . . . . 59 ASP H . 7249 1 766 . 1 1 75 75 ASP HA H 1 4.744 0.010 . 1 . . . . 59 ASP HA . 7249 1 767 . 1 1 75 75 ASP HB2 H 1 2.694 0.010 . 2 . . . . 59 ASP HB2 . 7249 1 768 . 1 1 75 75 ASP HB3 H 1 3.183 0.005 . 2 . . . . 59 ASP HB3 . 7249 1 769 . 1 1 75 75 ASP C C 13 176.609 0.200 . 1 . . . . 59 ASP C . 7249 1 770 . 1 1 75 75 ASP CA C 13 52.437 0.128 . 1 . . . . 59 ASP CA . 7249 1 771 . 1 1 75 75 ASP CB C 13 38.490 0.061 . 1 . . . . 59 ASP CB . 7249 1 772 . 1 1 75 75 ASP N N 15 113.425 0.065 . 1 . . . . 59 ASP N . 7249 1 773 . 1 1 76 76 ALA H H 1 7.160 0.004 . 1 . . . . 60 ALA H . 7249 1 774 . 1 1 76 76 ALA HA H 1 3.953 0.005 . 1 . . . . 60 ALA HA . 7249 1 775 . 1 1 76 76 ALA HB1 H 1 1.516 0.006 . 1 . . . . 60 ALA HB . 7249 1 776 . 1 1 76 76 ALA HB2 H 1 1.516 0.006 . 1 . . . . 60 ALA HB . 7249 1 777 . 1 1 76 76 ALA HB3 H 1 1.516 0.006 . 1 . . . . 60 ALA HB . 7249 1 778 . 1 1 76 76 ALA C C 13 175.302 0.200 . 1 . . . . 60 ALA C . 7249 1 779 . 1 1 76 76 ALA CA C 13 54.260 0.091 . 1 . . . . 60 ALA CA . 7249 1 780 . 1 1 76 76 ALA CB C 13 20.313 0.103 . 1 . . . . 60 ALA CB . 7249 1 781 . 1 1 76 76 ALA N N 15 122.094 0.035 . 1 . . . . 60 ALA N . 7249 1 782 . 1 1 77 77 GLU H H 1 8.082 0.014 . 1 . . . . 61 GLU H . 7249 1 783 . 1 1 77 77 GLU HA H 1 4.987 0.004 . 1 . . . . 61 GLU HA . 7249 1 784 . 1 1 77 77 GLU HB2 H 1 1.952 0.010 . 2 . . . . 61 GLU HB2 . 7249 1 785 . 1 1 77 77 GLU HB3 H 1 1.859 0.002 . 2 . . . . 61 GLU HB3 . 7249 1 786 . 1 1 77 77 GLU HG2 H 1 2.221 0.007 . 1 . . . . 61 GLU QG . 7249 1 787 . 1 1 77 77 GLU HG3 H 1 2.221 0.007 . 1 . . . . 61 GLU QG . 7249 1 788 . 1 1 77 77 GLU CA C 13 52.559 0.095 . 1 . . . . 61 GLU CA . 7249 1 789 . 1 1 77 77 GLU CB C 13 33.270 0.060 . 1 . . . . 61 GLU CB . 7249 1 790 . 1 1 77 77 GLU CG C 13 35.999 0.013 . 1 . . . . 61 GLU CG . 7249 1 791 . 1 1 77 77 GLU N N 15 120.950 0.042 . 1 . . . . 61 GLU N . 7249 1 792 . 1 1 78 78 PRO HA H 1 4.953 0.004 . 1 . . . . 62 PRO HA . 7249 1 793 . 1 1 78 78 PRO HB2 H 1 2.324 0.008 . 2 . . . . 62 PRO HB2 . 7249 1 794 . 1 1 78 78 PRO HB3 H 1 2.491 0.007 . 2 . . . . 62 PRO HB3 . 7249 1 795 . 1 1 78 78 PRO HG2 H 1 2.073 0.009 . 1 . . . . 62 PRO QG . 7249 1 796 . 1 1 78 78 PRO HG3 H 1 2.073 0.009 . 1 . . . . 62 PRO QG . 7249 1 797 . 1 1 78 78 PRO HD2 H 1 3.631 0.007 . 1 . . . . 62 PRO QD . 7249 1 798 . 1 1 78 78 PRO HD3 H 1 3.631 0.007 . 1 . . . . 62 PRO QD . 7249 1 799 . 1 1 78 78 PRO C C 13 176.611 0.200 . 1 . . . . 62 PRO C . 7249 1 800 . 1 1 78 78 PRO CA C 13 63.223 0.084 . 1 . . . . 62 PRO CA . 7249 1 801 . 1 1 78 78 PRO CB C 13 33.715 0.045 . 1 . . . . 62 PRO CB . 7249 1 802 . 1 1 78 78 PRO CG C 13 25.307 0.031 . 1 . . . . 62 PRO CG . 7249 1 803 . 1 1 78 78 PRO CD C 13 49.946 0.068 . 1 . . . . 62 PRO CD . 7249 1 804 . 1 1 79 79 LEU H H 1 8.812 0.017 . 1 . . . . 63 LEU H . 7249 1 805 . 1 1 79 79 LEU HA H 1 3.880 0.008 . 1 . . . . 63 LEU HA . 7249 1 806 . 1 1 79 79 LEU HB2 H 1 1.626 0.010 . 2 . . . . 63 LEU HB2 . 7249 1 807 . 1 1 79 79 LEU HB3 H 1 1.739 0.005 . 2 . . . . 63 LEU HB3 . 7249 1 808 . 1 1 79 79 LEU HG H 1 0.815 0.007 . 1 . . . . 63 LEU HG . 7249 1 809 . 1 1 79 79 LEU HD11 H 1 1.140 0.006 . 1 . . . . 63 LEU QD . 7249 1 810 . 1 1 79 79 LEU HD12 H 1 1.140 0.006 . 1 . . . . 63 LEU QD . 7249 1 811 . 1 1 79 79 LEU HD13 H 1 1.140 0.006 . 1 . . . . 63 LEU QD . 7249 1 812 . 1 1 79 79 LEU HD21 H 1 1.140 0.006 . 1 . . . . 63 LEU QD . 7249 1 813 . 1 1 79 79 LEU HD22 H 1 1.140 0.006 . 1 . . . . 63 LEU QD . 7249 1 814 . 1 1 79 79 LEU HD23 H 1 1.140 0.006 . 1 . . . . 63 LEU QD . 7249 1 815 . 1 1 79 79 LEU C C 13 177.740 0.200 . 1 . . . . 63 LEU C . 7249 1 816 . 1 1 79 79 LEU CA C 13 57.569 0.051 . 1 . . . . 63 LEU CA . 7249 1 817 . 1 1 79 79 LEU CB C 13 41.555 0.092 . 1 . . . . 63 LEU CB . 7249 1 818 . 1 1 79 79 LEU CG C 13 26.791 0.033 . 1 . . . . 63 LEU CG . 7249 1 819 . 1 1 79 79 LEU CD1 C 13 23.859 0.043 . 1 . . . . 63 LEU CD . 7249 1 820 . 1 1 79 79 LEU CD2 C 13 23.859 0.043 . 1 . . . . 63 LEU CD . 7249 1 821 . 1 1 79 79 LEU N N 15 125.450 0.061 . 1 . . . . 63 LEU N . 7249 1 822 . 1 1 80 80 GLU H H 1 8.896 0.007 . 1 . . . . 64 GLU H . 7249 1 823 . 1 1 80 80 GLU HA H 1 3.839 0.020 . 1 . . . . 64 GLU HA . 7249 1 824 . 1 1 80 80 GLU HB2 H 1 2.058 0.016 . 1 . . . . 64 GLU QB . 7249 1 825 . 1 1 80 80 GLU HB3 H 1 2.058 0.016 . 1 . . . . 64 GLU QB . 7249 1 826 . 1 1 80 80 GLU HG2 H 1 2.287 0.003 . 2 . . . . 64 GLU HG2 . 7249 1 827 . 1 1 80 80 GLU HG3 H 1 2.501 0.023 . 2 . . . . 64 GLU HG3 . 7249 1 828 . 1 1 80 80 GLU C C 13 177.780 0.200 . 1 . . . . 64 GLU C . 7249 1 829 . 1 1 80 80 GLU CA C 13 60.190 0.177 . 1 . . . . 64 GLU CA . 7249 1 830 . 1 1 80 80 GLU CB C 13 29.372 0.079 . 1 . . . . 64 GLU CB . 7249 1 831 . 1 1 80 80 GLU CG C 13 37.282 0.059 . 1 . . . . 64 GLU CG . 7249 1 832 . 1 1 80 80 GLU N N 15 113.260 0.079 . 1 . . . . 64 GLU N . 7249 1 833 . 1 1 81 81 ILE H H 1 7.390 0.003 . 1 . . . . 65 ILE H . 7249 1 834 . 1 1 81 81 ILE HA H 1 4.189 0.007 . 1 . . . . 65 ILE HA . 7249 1 835 . 1 1 81 81 ILE HB H 1 1.970 0.009 . 1 . . . . 65 ILE HB . 7249 1 836 . 1 1 81 81 ILE HG21 H 1 1.031 0.006 . 1 . . . . 65 ILE HG2 . 7249 1 837 . 1 1 81 81 ILE HG22 H 1 1.031 0.006 . 1 . . . . 65 ILE HG2 . 7249 1 838 . 1 1 81 81 ILE HG23 H 1 1.031 0.006 . 1 . . . . 65 ILE HG2 . 7249 1 839 . 1 1 81 81 ILE HD11 H 1 0.921 0.006 . 1 . . . . 65 ILE HD1 . 7249 1 840 . 1 1 81 81 ILE HD12 H 1 0.921 0.006 . 1 . . . . 65 ILE HD1 . 7249 1 841 . 1 1 81 81 ILE HD13 H 1 0.921 0.006 . 1 . . . . 65 ILE HD1 . 7249 1 842 . 1 1 81 81 ILE C C 13 176.257 0.200 . 1 . . . . 65 ILE C . 7249 1 843 . 1 1 81 81 ILE CA C 13 63.997 0.118 . 1 . . . . 65 ILE CA . 7249 1 844 . 1 1 81 81 ILE CB C 13 38.410 0.062 . 1 . . . . 65 ILE CB . 7249 1 845 . 1 1 81 81 ILE CG1 C 13 27.388 0.048 . 1 . . . . 65 ILE CG1 . 7249 1 846 . 1 1 81 81 ILE CG2 C 13 18.061 0.048 . 1 . . . . 65 ILE CG2 . 7249 1 847 . 1 1 81 81 ILE CD1 C 13 13.766 0.051 . 1 . . . . 65 ILE CD1 . 7249 1 848 . 1 1 81 81 ILE N N 15 116.211 0.084 . 1 . . . . 65 ILE N . 7249 1 849 . 1 1 81 81 ILE HG12 H 1 1.585 0.013 . 1 . . . . 65 ILE QG . 7249 1 850 . 1 1 81 81 ILE HG13 H 1 1.585 0.013 . 1 . . . . 65 ILE QG . 7249 1 851 . 1 1 82 82 ILE H H 1 7.817 0.007 . 1 . . . . 66 ILE H . 7249 1 852 . 1 1 82 82 ILE HA H 1 4.867 0.009 . 1 . . . . 66 ILE HA . 7249 1 853 . 1 1 82 82 ILE HB H 1 2.364 0.006 . 1 . . . . 66 ILE HB . 7249 1 854 . 1 1 82 82 ILE HG12 H 1 1.216 0.005 . 2 . . . . 66 ILE HG12 . 7249 1 855 . 1 1 82 82 ILE HG13 H 1 1.501 0.004 . 2 . . . . 66 ILE HG13 . 7249 1 856 . 1 1 82 82 ILE HG21 H 1 0.892 0.015 . 1 . . . . 66 ILE HG2 . 7249 1 857 . 1 1 82 82 ILE HG22 H 1 0.892 0.015 . 1 . . . . 66 ILE HG2 . 7249 1 858 . 1 1 82 82 ILE HG23 H 1 0.892 0.015 . 1 . . . . 66 ILE HG2 . 7249 1 859 . 1 1 82 82 ILE HD11 H 1 1.132 0.006 . 1 . . . . 66 ILE HD1 . 7249 1 860 . 1 1 82 82 ILE HD12 H 1 1.132 0.006 . 1 . . . . 66 ILE HD1 . 7249 1 861 . 1 1 82 82 ILE HD13 H 1 1.132 0.006 . 1 . . . . 66 ILE HD1 . 7249 1 862 . 1 1 82 82 ILE C C 13 177.384 0.200 . 1 . . . . 66 ILE C . 7249 1 863 . 1 1 82 82 ILE CA C 13 60.708 0.068 . 1 . . . . 66 ILE CA . 7249 1 864 . 1 1 82 82 ILE CB C 13 39.830 0.066 . 1 . . . . 66 ILE CB . 7249 1 865 . 1 1 82 82 ILE CG1 C 13 26.932 0.022 . 1 . . . . 66 ILE CG1 . 7249 1 866 . 1 1 82 82 ILE CG2 C 13 20.154 0.152 . 1 . . . . 66 ILE CG2 . 7249 1 867 . 1 1 82 82 ILE CD1 C 13 15.500 0.046 . 1 . . . . 66 ILE CD1 . 7249 1 868 . 1 1 82 82 ILE N N 15 108.478 0.119 . 1 . . . . 66 ILE N . 7249 1 869 . 1 1 83 83 LEU H H 1 7.283 0.003 . 1 . . . . 67 LEU H . 7249 1 870 . 1 1 83 83 LEU HA H 1 4.199 0.025 . 1 . . . . 67 LEU HA . 7249 1 871 . 1 1 83 83 LEU HB2 H 1 1.750 0.025 . 1 . . . . 67 LEU QB . 7249 1 872 . 1 1 83 83 LEU HB3 H 1 1.750 0.025 . 1 . . . . 67 LEU QB . 7249 1 873 . 1 1 83 83 LEU C C 13 179.204 0.200 . 1 . . . . 67 LEU C . 7249 1 874 . 1 1 83 83 LEU CA C 13 57.468 0.073 . 1 . . . . 67 LEU CA . 7249 1 875 . 1 1 83 83 LEU CB C 13 40.535 0.068 . 1 . . . . 67 LEU CB . 7249 1 876 . 1 1 83 83 LEU N N 15 119.293 0.064 . 1 . . . . 67 LEU N . 7249 1 877 . 1 1 84 84 HIS H H 1 8.622 0.007 . 1 . . . . 68 HIS H . 7249 1 878 . 1 1 84 84 HIS HA H 1 4.602 0.012 . 1 . . . . 68 HIS HA . 7249 1 879 . 1 1 84 84 HIS HB2 H 1 3.002 0.017 . 1 . . . . 68 HIS QB . 7249 1 880 . 1 1 84 84 HIS HB3 H 1 3.002 0.017 . 1 . . . . 68 HIS QB . 7249 1 881 . 1 1 84 84 HIS C C 13 177.860 0.200 . 1 . . . . 68 HIS C . 7249 1 882 . 1 1 84 84 HIS CA C 13 57.773 0.088 . 1 . . . . 68 HIS CA . 7249 1 883 . 1 1 84 84 HIS CB C 13 29.505 0.078 . 1 . . . . 68 HIS CB . 7249 1 884 . 1 1 84 84 HIS N N 15 116.966 0.047 . 1 . . . . 68 HIS N . 7249 1 885 . 1 1 85 85 LEU H H 1 7.452 0.008 . 1 . . . . 69 LEU H . 7249 1 886 . 1 1 85 85 LEU HA H 1 3.820 0.005 . 1 . . . . 69 LEU HA . 7249 1 887 . 1 1 85 85 LEU HB2 H 1 2.363 0.007 . 2 . . . . 69 LEU HB2 . 7249 1 888 . 1 1 85 85 LEU HB3 H 1 0.774 0.009 . 2 . . . . 69 LEU HB3 . 7249 1 889 . 1 1 85 85 LEU HG H 1 0.565 0.016 . 1 . . . . 69 LEU HG . 7249 1 890 . 1 1 85 85 LEU HD11 H 1 0.657 0.001 . 1 . . . . 69 LEU QD . 7249 1 891 . 1 1 85 85 LEU HD12 H 1 0.657 0.001 . 1 . . . . 69 LEU QD . 7249 1 892 . 1 1 85 85 LEU HD13 H 1 0.657 0.001 . 1 . . . . 69 LEU QD . 7249 1 893 . 1 1 85 85 LEU HD21 H 1 0.657 0.001 . 1 . . . . 69 LEU QD . 7249 1 894 . 1 1 85 85 LEU HD22 H 1 0.657 0.001 . 1 . . . . 69 LEU QD . 7249 1 895 . 1 1 85 85 LEU HD23 H 1 0.657 0.001 . 1 . . . . 69 LEU QD . 7249 1 896 . 1 1 85 85 LEU CA C 13 59.106 0.087 . 1 . . . . 69 LEU CA . 7249 1 897 . 1 1 85 85 LEU CB C 13 39.109 0.067 . 1 . . . . 69 LEU CB . 7249 1 898 . 1 1 85 85 LEU CG C 13 24.140 0.052 . 1 . . . . 69 LEU CG . 7249 1 899 . 1 1 85 85 LEU N N 15 122.195 0.027 . 1 . . . . 69 LEU N . 7249 1 900 . 1 1 86 86 PRO HA H 1 2.727 0.005 . 1 . . . . 70 PRO HA . 7249 1 901 . 1 1 86 86 PRO HB2 H 1 1.644 0.011 . 2 . . . . 70 PRO HB2 . 7249 1 902 . 1 1 86 86 PRO HB3 H 1 2.102 0.002 . 2 . . . . 70 PRO HB3 . 7249 1 903 . 1 1 86 86 PRO HG2 H 1 1.867 0.025 . 1 . . . . 70 PRO QG . 7249 1 904 . 1 1 86 86 PRO HG3 H 1 1.867 0.025 . 1 . . . . 70 PRO QG . 7249 1 905 . 1 1 86 86 PRO C C 13 176.954 0.200 . 1 . . . . 70 PRO C . 7249 1 906 . 1 1 86 86 PRO CA C 13 66.216 0.075 . 1 . . . . 70 PRO CA . 7249 1 907 . 1 1 86 86 PRO CB C 13 31.812 0.049 . 1 . . . . 70 PRO CB . 7249 1 908 . 1 1 86 86 PRO CG C 13 28.528 0.200 . 1 . . . . 70 PRO CG . 7249 1 909 . 1 1 87 87 LEU H H 1 6.196 0.002 . 1 . . . . 71 LEU H . 7249 1 910 . 1 1 87 87 LEU HA H 1 4.007 0.006 . 1 . . . . 71 LEU HA . 7249 1 911 . 1 1 87 87 LEU HB2 H 1 1.603 0.005 . 2 . . . . 71 LEU HB2 . 7249 1 912 . 1 1 87 87 LEU HB3 H 1 1.743 0.013 . 2 . . . . 71 LEU HB3 . 7249 1 913 . 1 1 87 87 LEU HG H 1 1.703 0.009 . 1 . . . . 71 LEU HG . 7249 1 914 . 1 1 87 87 LEU HD11 H 1 0.980 0.005 . 1 . . . . 71 LEU HD1 . 7249 1 915 . 1 1 87 87 LEU HD12 H 1 0.980 0.005 . 1 . . . . 71 LEU HD1 . 7249 1 916 . 1 1 87 87 LEU HD13 H 1 0.980 0.005 . 1 . . . . 71 LEU HD1 . 7249 1 917 . 1 1 87 87 LEU HD21 H 1 0.875 0.025 . 1 . . . . 71 LEU HD2 . 7249 1 918 . 1 1 87 87 LEU HD22 H 1 0.875 0.025 . 1 . . . . 71 LEU HD2 . 7249 1 919 . 1 1 87 87 LEU HD23 H 1 0.875 0.025 . 1 . . . . 71 LEU HD2 . 7249 1 920 . 1 1 87 87 LEU C C 13 179.338 0.200 . 1 . . . . 71 LEU C . 7249 1 921 . 1 1 87 87 LEU CA C 13 57.617 0.064 . 1 . . . . 71 LEU CA . 7249 1 922 . 1 1 87 87 LEU CB C 13 41.522 0.057 . 1 . . . . 71 LEU CB . 7249 1 923 . 1 1 87 87 LEU CG C 13 27.277 0.035 . 1 . . . . 71 LEU CG . 7249 1 924 . 1 1 87 87 LEU CD1 C 13 25.283 0.045 . 1 . . . . 71 LEU CD . 7249 1 925 . 1 1 87 87 LEU CD2 C 13 25.283 0.045 . 1 . . . . 71 LEU CD . 7249 1 926 . 1 1 87 87 LEU N N 15 113.011 0.098 . 1 . . . . 71 LEU N . 7249 1 927 . 1 1 88 88 LEU H H 1 7.567 0.010 . 1 . . . . 72 LEU H . 7249 1 928 . 1 1 88 88 LEU HA H 1 4.255 0.010 . 1 . . . . 72 LEU HA . 7249 1 929 . 1 1 88 88 LEU HB2 H 1 1.705 0.006 . 1 . . . . 72 LEU QB . 7249 1 930 . 1 1 88 88 LEU HB3 H 1 1.705 0.006 . 1 . . . . 72 LEU QB . 7249 1 931 . 1 1 88 88 LEU HG H 1 0.989 0.003 . 1 . . . . 72 LEU HG . 7249 1 932 . 1 1 88 88 LEU C C 13 176.843 0.200 . 1 . . . . 72 LEU C . 7249 1 933 . 1 1 88 88 LEU CA C 13 57.444 0.114 . 1 . . . . 72 LEU CA . 7249 1 934 . 1 1 88 88 LEU CB C 13 42.580 0.119 . 1 . . . . 72 LEU CB . 7249 1 935 . 1 1 88 88 LEU CG C 13 25.783 0.014 . 1 . . . . 72 LEU CG . 7249 1 936 . 1 1 88 88 LEU N N 15 121.477 0.095 . 1 . . . . 72 LEU N . 7249 1 937 . 1 1 89 89 CYS H H 1 8.615 0.002 . 1 . . . . 73 CYS H . 7249 1 938 . 1 1 89 89 CYS HA H 1 3.853 0.005 . 1 . . . . 73 CYS HA . 7249 1 939 . 1 1 89 89 CYS HB2 H 1 3.913 0.005 . 2 . . . . 73 CYS HB2 . 7249 1 940 . 1 1 89 89 CYS HB3 H 1 2.752 0.003 . 2 . . . . 73 CYS HB3 . 7249 1 941 . 1 1 89 89 CYS C C 13 176.804 0.200 . 1 . . . . 73 CYS C . 7249 1 942 . 1 1 89 89 CYS CA C 13 65.104 0.129 . 1 . . . . 73 CYS CA . 7249 1 943 . 1 1 89 89 CYS CB C 13 27.241 0.095 . 1 . . . . 73 CYS CB . 7249 1 944 . 1 1 89 89 CYS N N 15 116.939 0.065 . 1 . . . . 73 CYS N . 7249 1 945 . 1 1 90 90 GLU H H 1 8.181 0.009 . 1 . . . . 74 GLU H . 7249 1 946 . 1 1 90 90 GLU HA H 1 4.267 0.014 . 1 . . . . 74 GLU HA . 7249 1 947 . 1 1 90 90 GLU HB2 H 1 2.199 0.016 . 1 . . . . 74 GLU QB . 7249 1 948 . 1 1 90 90 GLU HB3 H 1 2.199 0.016 . 1 . . . . 74 GLU QB . 7249 1 949 . 1 1 90 90 GLU HG2 H 1 2.528 0.009 . 2 . . . . 74 GLU HG2 . 7249 1 950 . 1 1 90 90 GLU HG3 H 1 2.745 0.005 . 2 . . . . 74 GLU HG3 . 7249 1 951 . 1 1 90 90 GLU CA C 13 59.398 0.055 . 1 . . . . 74 GLU CA . 7249 1 952 . 1 1 90 90 GLU CB C 13 29.071 0.158 . 1 . . . . 74 GLU CB . 7249 1 953 . 1 1 90 90 GLU CG C 13 36.604 0.050 . 1 . . . . 74 GLU CG . 7249 1 954 . 1 1 90 90 GLU N N 15 119.480 0.137 . 1 . . . . 74 GLU N . 7249 1 955 . 1 1 91 91 ASP H H 1 7.769 0.010 . 1 . . . . 75 ASP H . 7249 1 956 . 1 1 91 91 ASP HA H 1 4.468 0.014 . 1 . . . . 75 ASP HA . 7249 1 957 . 1 1 91 91 ASP HB2 H 1 2.835 0.019 . 1 . . . . 75 ASP QB . 7249 1 958 . 1 1 91 91 ASP HB3 H 1 2.835 0.019 . 1 . . . . 75 ASP QB . 7249 1 959 . 1 1 91 91 ASP C C 13 177.854 0.200 . 1 . . . . 75 ASP C . 7249 1 960 . 1 1 91 91 ASP CA C 13 57.352 0.100 . 1 . . . . 75 ASP CA . 7249 1 961 . 1 1 91 91 ASP CB C 13 41.587 0.080 . 1 . . . . 75 ASP CB . 7249 1 962 . 1 1 91 91 ASP N N 15 119.678 0.055 . 1 . . . . 75 ASP N . 7249 1 963 . 1 1 92 92 LYS H H 1 7.809 0.009 . 1 . . . . 76 LYS H . 7249 1 964 . 1 1 92 92 LYS HA H 1 4.360 0.010 . 1 . . . . 76 LYS HA . 7249 1 965 . 1 1 92 92 LYS HB2 H 1 1.685 0.014 . 2 . . . . 76 LYS HB2 . 7249 1 966 . 1 1 92 92 LYS HB3 H 1 2.236 0.008 . 2 . . . . 76 LYS HB3 . 7249 1 967 . 1 1 92 92 LYS HG2 H 1 1.653 0.005 . 1 . . . . 76 LYS QG . 7249 1 968 . 1 1 92 92 LYS HG3 H 1 1.653 0.005 . 1 . . . . 76 LYS QG . 7249 1 969 . 1 1 92 92 LYS HD2 H 1 1.561 0.025 . 1 . . . . 76 LYS QD . 7249 1 970 . 1 1 92 92 LYS HD3 H 1 1.561 0.025 . 1 . . . . 76 LYS QD . 7249 1 971 . 1 1 92 92 LYS HE2 H 1 2.989 0.021 . 1 . . . . 76 LYS QE . 7249 1 972 . 1 1 92 92 LYS HE3 H 1 2.989 0.021 . 1 . . . . 76 LYS QE . 7249 1 973 . 1 1 92 92 LYS C C 13 175.548 0.200 . 1 . . . . 76 LYS C . 7249 1 974 . 1 1 92 92 LYS CA C 13 54.497 0.078 . 1 . . . . 76 LYS CA . 7249 1 975 . 1 1 92 92 LYS CB C 13 32.455 0.046 . 1 . . . . 76 LYS CB . 7249 1 976 . 1 1 92 92 LYS CG C 13 24.778 0.056 . 1 . . . . 76 LYS CG . 7249 1 977 . 1 1 92 92 LYS CD C 13 27.943 0.200 . 1 . . . . 76 LYS CD . 7249 1 978 . 1 1 92 92 LYS CE C 13 42.267 0.200 . 1 . . . . 76 LYS CE . 7249 1 979 . 1 1 92 92 LYS N N 15 114.728 0.064 . 1 . . . . 76 LYS N . 7249 1 980 . 1 1 93 93 ASN H H 1 7.999 0.002 . 1 . . . . 77 ASN H . 7249 1 981 . 1 1 93 93 ASN HA H 1 4.419 0.004 . 1 . . . . 77 ASN HA . 7249 1 982 . 1 1 93 93 ASN HB2 H 1 2.819 0.003 . 2 . . . . 77 ASN HB2 . 7249 1 983 . 1 1 93 93 ASN HB3 H 1 3.179 0.006 . 2 . . . . 77 ASN HB3 . 7249 1 984 . 1 1 93 93 ASN C C 13 173.896 0.200 . 1 . . . . 77 ASN C . 7249 1 985 . 1 1 93 93 ASN CA C 13 54.456 0.086 . 1 . . . . 77 ASN CA . 7249 1 986 . 1 1 93 93 ASN CB C 13 37.271 0.052 . 1 . . . . 77 ASN CB . 7249 1 987 . 1 1 93 93 ASN N N 15 117.991 0.043 . 1 . . . . 77 ASN N . 7249 1 988 . 1 1 94 94 VAL H H 1 8.436 0.005 . 1 . . . . 78 VAL H . 7249 1 989 . 1 1 94 94 VAL HA H 1 4.566 0.004 . 1 . . . . 78 VAL HA . 7249 1 990 . 1 1 94 94 VAL HB H 1 1.625 0.006 . 1 . . . . 78 VAL HB . 7249 1 991 . 1 1 94 94 VAL HG11 H 1 0.936 0.007 . 1 . . . . 78 VAL QG . 7249 1 992 . 1 1 94 94 VAL HG12 H 1 0.936 0.007 . 1 . . . . 78 VAL QG . 7249 1 993 . 1 1 94 94 VAL HG13 H 1 0.936 0.007 . 1 . . . . 78 VAL QG . 7249 1 994 . 1 1 94 94 VAL HG21 H 1 0.936 0.007 . 1 . . . . 78 VAL QG . 7249 1 995 . 1 1 94 94 VAL HG22 H 1 0.936 0.007 . 1 . . . . 78 VAL QG . 7249 1 996 . 1 1 94 94 VAL HG23 H 1 0.936 0.007 . 1 . . . . 78 VAL QG . 7249 1 997 . 1 1 94 94 VAL CA C 13 59.540 0.085 . 1 . . . . 78 VAL CA . 7249 1 998 . 1 1 94 94 VAL CB C 13 35.789 0.060 . 1 . . . . 78 VAL CB . 7249 1 999 . 1 1 94 94 VAL CG1 C 13 22.446 0.101 . 1 . . . . 78 VAL CG1 . 7249 1 1000 . 1 1 94 94 VAL N N 15 121.705 0.027 . 1 . . . . 78 VAL N . 7249 1 1001 . 1 1 95 95 PRO HA H 1 4.408 0.007 . 1 . . . . 79 PRO HA . 7249 1 1002 . 1 1 95 95 PRO HB2 H 1 1.783 0.012 . 2 . . . . 79 PRO HB2 . 7249 1 1003 . 1 1 95 95 PRO HB3 H 1 2.244 0.002 . 2 . . . . 79 PRO HB3 . 7249 1 1004 . 1 1 95 95 PRO HG2 H 1 2.111 0.012 . 1 . . . . 79 PRO QG . 7249 1 1005 . 1 1 95 95 PRO HG3 H 1 2.111 0.012 . 1 . . . . 79 PRO QG . 7249 1 1006 . 1 1 95 95 PRO HD2 H 1 4.164 0.005 . 2 . . . . 79 PRO HD2 . 7249 1 1007 . 1 1 95 95 PRO HD3 H 1 4.064 0.006 . 2 . . . . 79 PRO HD3 . 7249 1 1008 . 1 1 95 95 PRO C C 13 173.767 0.200 . 1 . . . . 79 PRO C . 7249 1 1009 . 1 1 95 95 PRO CA C 13 63.167 0.022 . 1 . . . . 79 PRO CA . 7249 1 1010 . 1 1 95 95 PRO CB C 13 32.740 0.037 . 1 . . . . 79 PRO CB . 7249 1 1011 . 1 1 95 95 PRO CG C 13 27.859 0.109 . 1 . . . . 79 PRO CG . 7249 1 1012 . 1 1 95 95 PRO CD C 13 51.300 0.200 . 1 . . . . 79 PRO CD . 7249 1 1013 . 1 1 96 96 TYR H H 1 6.801 0.005 . 1 . . . . 80 TYR H . 7249 1 1014 . 1 1 96 96 TYR HA H 1 5.862 0.025 . 1 . . . . 80 TYR HA . 7249 1 1015 . 1 1 96 96 TYR HB2 H 1 2.312 0.005 . 2 . . . . 80 TYR HB2 . 7249 1 1016 . 1 1 96 96 TYR HB3 H 1 3.394 0.010 . 2 . . . . 80 TYR HB3 . 7249 1 1017 . 1 1 96 96 TYR HD1 H 1 7.052 0.025 . 1 . . . . 80 TYR QD . 7249 1 1018 . 1 1 96 96 TYR HD2 H 1 7.052 0.025 . 1 . . . . 80 TYR QD . 7249 1 1019 . 1 1 96 96 TYR C C 13 171.453 0.200 . 1 . . . . 80 TYR C . 7249 1 1020 . 1 1 96 96 TYR CA C 13 54.339 0.074 . 1 . . . . 80 TYR CA . 7249 1 1021 . 1 1 96 96 TYR CB C 13 41.872 0.045 . 1 . . . . 80 TYR CB . 7249 1 1022 . 1 1 96 96 TYR CD1 C 13 129.637 0.200 . 3 . . . . 80 TYR CD1 . 7249 1 1023 . 1 1 96 96 TYR N N 15 115.039 0.057 . 1 . . . . 80 TYR N . 7249 1 1024 . 1 1 97 97 VAL H H 1 7.863 0.003 . 1 . . . . 81 VAL H . 7249 1 1025 . 1 1 97 97 VAL HA H 1 4.286 0.008 . 1 . . . . 81 VAL HA . 7249 1 1026 . 1 1 97 97 VAL HB H 1 1.938 0.010 . 1 . . . . 81 VAL HB . 7249 1 1027 . 1 1 97 97 VAL HG11 H 1 0.931 0.007 . 2 . . . . 81 VAL HG1 . 7249 1 1028 . 1 1 97 97 VAL HG12 H 1 0.931 0.007 . 2 . . . . 81 VAL HG1 . 7249 1 1029 . 1 1 97 97 VAL HG13 H 1 0.931 0.007 . 2 . . . . 81 VAL HG1 . 7249 1 1030 . 1 1 97 97 VAL HG21 H 1 0.762 0.010 . 2 . . . . 81 VAL HG2 . 7249 1 1031 . 1 1 97 97 VAL HG22 H 1 0.762 0.010 . 2 . . . . 81 VAL HG2 . 7249 1 1032 . 1 1 97 97 VAL HG23 H 1 0.762 0.010 . 2 . . . . 81 VAL HG2 . 7249 1 1033 . 1 1 97 97 VAL C C 13 170.859 0.200 . 1 . . . . 81 VAL C . 7249 1 1034 . 1 1 97 97 VAL CA C 13 59.761 0.044 . 1 . . . . 81 VAL CA . 7249 1 1035 . 1 1 97 97 VAL CB C 13 35.147 0.051 . 1 . . . . 81 VAL CB . 7249 1 1036 . 1 1 97 97 VAL CG1 C 13 22.370 0.055 . 1 . . . . 81 VAL CG1 . 7249 1 1037 . 1 1 97 97 VAL CG2 C 13 20.025 0.063 . 1 . . . . 81 VAL CG2 . 7249 1 1038 . 1 1 97 97 VAL N N 15 114.216 0.073 . 1 . . . . 81 VAL N . 7249 1 1039 . 1 1 98 98 PHE H H 1 8.675 0.008 . 1 . . . . 82 PHE H . 7249 1 1040 . 1 1 98 98 PHE HA H 1 5.602 0.005 . 1 . . . . 82 PHE HA . 7249 1 1041 . 1 1 98 98 PHE HB2 H 1 2.554 0.009 . 2 . . . . 82 PHE HB2 . 7249 1 1042 . 1 1 98 98 PHE HB3 H 1 2.942 0.007 . 2 . . . . 82 PHE HB3 . 7249 1 1043 . 1 1 98 98 PHE HD1 H 1 6.858 0.025 . 1 . . . . 82 PHE QD . 7249 1 1044 . 1 1 98 98 PHE HD2 H 1 6.858 0.025 . 1 . . . . 82 PHE QD . 7249 1 1045 . 1 1 98 98 PHE HE1 H 1 7.324 0.025 . 1 . . . . 82 PHE QE . 7249 1 1046 . 1 1 98 98 PHE HE2 H 1 7.324 0.025 . 1 . . . . 82 PHE QE . 7249 1 1047 . 1 1 98 98 PHE C C 13 176.124 0.200 . 1 . . . . 82 PHE C . 7249 1 1048 . 1 1 98 98 PHE CA C 13 56.353 0.095 . 1 . . . . 82 PHE CA . 7249 1 1049 . 1 1 98 98 PHE CB C 13 41.120 0.054 . 1 . . . . 82 PHE CB . 7249 1 1050 . 1 1 98 98 PHE CD1 C 13 131.480 0.200 . 3 . . . . 82 PHE CD1 . 7249 1 1051 . 1 1 98 98 PHE CE1 C 13 131.164 0.200 . 3 . . . . 82 PHE CE1 . 7249 1 1052 . 1 1 98 98 PHE N N 15 122.273 0.032 . 1 . . . . 82 PHE N . 7249 1 1053 . 1 1 99 99 VAL H H 1 9.060 0.006 . 1 . . . . 83 VAL H . 7249 1 1054 . 1 1 99 99 VAL HA H 1 4.907 0.007 . 1 . . . . 83 VAL HA . 7249 1 1055 . 1 1 99 99 VAL HB H 1 2.577 0.008 . 1 . . . . 83 VAL HB . 7249 1 1056 . 1 1 99 99 VAL HG11 H 1 0.878 0.007 . 2 . . . . 83 VAL HG1 . 7249 1 1057 . 1 1 99 99 VAL HG12 H 1 0.878 0.007 . 2 . . . . 83 VAL HG1 . 7249 1 1058 . 1 1 99 99 VAL HG13 H 1 0.878 0.007 . 2 . . . . 83 VAL HG1 . 7249 1 1059 . 1 1 99 99 VAL HG21 H 1 0.710 0.011 . 2 . . . . 83 VAL HG2 . 7249 1 1060 . 1 1 99 99 VAL HG22 H 1 0.710 0.011 . 2 . . . . 83 VAL HG2 . 7249 1 1061 . 1 1 99 99 VAL HG23 H 1 0.710 0.011 . 2 . . . . 83 VAL HG2 . 7249 1 1062 . 1 1 99 99 VAL C C 13 176.854 0.200 . 1 . . . . 83 VAL C . 7249 1 1063 . 1 1 99 99 VAL CA C 13 58.503 0.047 . 1 . . . . 83 VAL CA . 7249 1 1064 . 1 1 99 99 VAL CB C 13 33.596 0.058 . 1 . . . . 83 VAL CB . 7249 1 1065 . 1 1 99 99 VAL CG1 C 13 22.853 0.025 . 1 . . . . 83 VAL CG1 . 7249 1 1066 . 1 1 99 99 VAL CG2 C 13 18.438 0.058 . 1 . . . . 83 VAL CG2 . 7249 1 1067 . 1 1 99 99 VAL N N 15 111.264 0.095 . 1 . . . . 83 VAL N . 7249 1 1068 . 1 1 100 100 ARG H H 1 8.875 0.004 . 1 . . . . 84 ARG H . 7249 1 1069 . 1 1 100 100 ARG HA H 1 3.889 0.005 . 1 . . . . 84 ARG HA . 7249 1 1070 . 1 1 100 100 ARG HB2 H 1 1.803 0.018 . 1 . . . . 84 ARG QB . 7249 1 1071 . 1 1 100 100 ARG HB3 H 1 1.803 0.018 . 1 . . . . 84 ARG QB . 7249 1 1072 . 1 1 100 100 ARG HD2 H 1 3.203 0.025 . 1 . . . . 84 ARG QD . 7249 1 1073 . 1 1 100 100 ARG HD3 H 1 3.203 0.025 . 1 . . . . 84 ARG QD . 7249 1 1074 . 1 1 100 100 ARG C C 13 176.646 0.200 . 1 . . . . 84 ARG C . 7249 1 1075 . 1 1 100 100 ARG CA C 13 60.493 0.086 . 1 . . . . 84 ARG CA . 7249 1 1076 . 1 1 100 100 ARG CB C 13 31.273 0.091 . 1 . . . . 84 ARG CB . 7249 1 1077 . 1 1 100 100 ARG CG C 13 29.873 0.200 . 1 . . . . 84 ARG CG . 7249 1 1078 . 1 1 100 100 ARG CD C 13 43.006 0.200 . 1 . . . . 84 ARG CD . 7249 1 1079 . 1 1 100 100 ARG N N 15 119.200 0.030 . 1 . . . . 84 ARG N . 7249 1 1080 . 1 1 101 101 SER H H 1 7.828 0.027 . 1 . . . . 85 SER H . 7249 1 1081 . 1 1 101 101 SER HA H 1 5.375 0.011 . 1 . . . . 85 SER HA . 7249 1 1082 . 1 1 101 101 SER HB2 H 1 3.874 0.008 . 1 . . . . 85 SER QB . 7249 1 1083 . 1 1 101 101 SER HB3 H 1 3.874 0.008 . 1 . . . . 85 SER QB . 7249 1 1084 . 1 1 101 101 SER C C 13 175.645 0.200 . 1 . . . . 85 SER C . 7249 1 1085 . 1 1 101 101 SER CA C 13 55.117 0.083 . 1 . . . . 85 SER CA . 7249 1 1086 . 1 1 101 101 SER CB C 13 64.400 0.115 . 1 . . . . 85 SER CB . 7249 1 1087 . 1 1 101 101 SER N N 15 107.793 0.135 . 1 . . . . 85 SER N . 7249 1 1088 . 1 1 102 102 LYS H H 1 11.459 0.008 . 1 . . . . 86 LYS H . 7249 1 1089 . 1 1 102 102 LYS HA H 1 4.453 0.008 . 1 . . . . 86 LYS HA . 7249 1 1090 . 1 1 102 102 LYS HB2 H 1 1.565 0.010 . 1 . . . . 86 LYS QB . 7249 1 1091 . 1 1 102 102 LYS HB3 H 1 1.565 0.010 . 1 . . . . 86 LYS QB . 7249 1 1092 . 1 1 102 102 LYS HD2 H 1 1.136 0.011 . 2 . . . . 86 LYS HD2 . 7249 1 1093 . 1 1 102 102 LYS HD3 H 1 1.528 0.025 . 2 . . . . 86 LYS HD3 . 7249 1 1094 . 1 1 102 102 LYS HE2 H 1 3.030 0.014 . 2 . . . . 86 LYS HE2 . 7249 1 1095 . 1 1 102 102 LYS HE3 H 1 2.880 0.002 . 2 . . . . 86 LYS HE3 . 7249 1 1096 . 1 1 102 102 LYS C C 13 179.122 0.200 . 1 . . . . 86 LYS C . 7249 1 1097 . 1 1 102 102 LYS CA C 13 57.741 0.081 . 1 . . . . 86 LYS CA . 7249 1 1098 . 1 1 102 102 LYS CB C 13 32.113 0.096 . 1 . . . . 86 LYS CB . 7249 1 1099 . 1 1 102 102 LYS CD C 13 30.438 0.094 . 1 . . . . 86 LYS CD . 7249 1 1100 . 1 1 102 102 LYS CE C 13 42.461 0.129 . 1 . . . . 86 LYS CE . 7249 1 1101 . 1 1 102 102 LYS N N 15 133.405 0.014 . 1 . . . . 86 LYS N . 7249 1 1102 . 1 1 103 103 GLN H H 1 8.676 0.008 . 1 . . . . 87 GLN H . 7249 1 1103 . 1 1 103 103 GLN HA H 1 4.072 0.009 . 1 . . . . 87 GLN HA . 7249 1 1104 . 1 1 103 103 GLN HB2 H 1 1.963 0.007 . 1 . . . . 87 GLN QB . 7249 1 1105 . 1 1 103 103 GLN HB3 H 1 1.963 0.007 . 1 . . . . 87 GLN QB . 7249 1 1106 . 1 1 103 103 GLN HG2 H 1 2.378 0.008 . 1 . . . . 87 GLN QG . 7249 1 1107 . 1 1 103 103 GLN HG3 H 1 2.378 0.008 . 1 . . . . 87 GLN QG . 7249 1 1108 . 1 1 103 103 GLN C C 13 178.243 0.200 . 1 . . . . 87 GLN C . 7249 1 1109 . 1 1 103 103 GLN CA C 13 59.112 0.052 . 1 . . . . 87 GLN CA . 7249 1 1110 . 1 1 103 103 GLN CB C 13 28.277 0.051 . 1 . . . . 87 GLN CB . 7249 1 1111 . 1 1 103 103 GLN CG C 13 33.499 0.049 . 1 . . . . 87 GLN CG . 7249 1 1112 . 1 1 103 103 GLN N N 15 124.914 0.047 . 1 . . . . 87 GLN N . 7249 1 1113 . 1 1 104 104 ALA H H 1 8.003 0.013 . 1 . . . . 88 ALA H . 7249 1 1114 . 1 1 104 104 ALA HA H 1 4.085 0.008 . 1 . . . . 88 ALA HA . 7249 1 1115 . 1 1 104 104 ALA HB1 H 1 1.511 0.005 . 1 . . . . 88 ALA HB . 7249 1 1116 . 1 1 104 104 ALA HB2 H 1 1.511 0.005 . 1 . . . . 88 ALA HB . 7249 1 1117 . 1 1 104 104 ALA HB3 H 1 1.511 0.005 . 1 . . . . 88 ALA HB . 7249 1 1118 . 1 1 104 104 ALA C C 13 180.838 0.200 . 1 . . . . 88 ALA C . 7249 1 1119 . 1 1 104 104 ALA CA C 13 54.656 0.087 . 1 . . . . 88 ALA CA . 7249 1 1120 . 1 1 104 104 ALA CB C 13 18.225 0.135 . 1 . . . . 88 ALA CB . 7249 1 1121 . 1 1 104 104 ALA N N 15 124.060 0.060 . 1 . . . . 88 ALA N . 7249 1 1122 . 1 1 105 105 LEU H H 1 8.595 0.020 . 1 . . . . 89 LEU H . 7249 1 1123 . 1 1 105 105 LEU HA H 1 4.109 0.009 . 1 . . . . 89 LEU HA . 7249 1 1124 . 1 1 105 105 LEU HB2 H 1 1.143 0.007 . 2 . . . . 89 LEU HB2 . 7249 1 1125 . 1 1 105 105 LEU HB3 H 1 2.365 0.005 . 2 . . . . 89 LEU HB3 . 7249 1 1126 . 1 1 105 105 LEU HG H 1 1.274 0.009 . 1 . . . . 89 LEU HG . 7249 1 1127 . 1 1 105 105 LEU HD11 H 1 0.504 0.008 . 2 . . . . 89 LEU HD1 . 7249 1 1128 . 1 1 105 105 LEU HD12 H 1 0.504 0.008 . 2 . . . . 89 LEU HD1 . 7249 1 1129 . 1 1 105 105 LEU HD13 H 1 0.504 0.008 . 2 . . . . 89 LEU HD1 . 7249 1 1130 . 1 1 105 105 LEU HD21 H 1 0.775 0.006 . 2 . . . . 89 LEU HD2 . 7249 1 1131 . 1 1 105 105 LEU HD22 H 1 0.775 0.006 . 2 . . . . 89 LEU HD2 . 7249 1 1132 . 1 1 105 105 LEU HD23 H 1 0.775 0.006 . 2 . . . . 89 LEU HD2 . 7249 1 1133 . 1 1 105 105 LEU C C 13 178.750 0.200 . 1 . . . . 89 LEU C . 7249 1 1134 . 1 1 105 105 LEU CA C 13 57.584 0.059 . 1 . . . . 89 LEU CA . 7249 1 1135 . 1 1 105 105 LEU CB C 13 41.059 0.075 . 1 . . . . 89 LEU CB . 7249 1 1136 . 1 1 105 105 LEU CG C 13 27.173 0.028 . 1 . . . . 89 LEU CG . 7249 1 1137 . 1 1 105 105 LEU CD1 C 13 24.324 0.018 . 1 . . . . 89 LEU CD1 . 7249 1 1138 . 1 1 105 105 LEU CD2 C 13 23.167 0.030 . 1 . . . . 89 LEU CD2 . 7249 1 1139 . 1 1 105 105 LEU N N 15 120.590 0.043 . 1 . . . . 89 LEU N . 7249 1 1140 . 1 1 106 106 GLY H H 1 8.316 0.006 . 1 . . . . 90 GLY H . 7249 1 1141 . 1 1 106 106 GLY HA2 H 1 4.283 0.009 . 2 . . . . 90 GLY HA2 . 7249 1 1142 . 1 1 106 106 GLY HA3 H 1 3.530 0.006 . 2 . . . . 90 GLY HA3 . 7249 1 1143 . 1 1 106 106 GLY C C 13 175.342 0.200 . 1 . . . . 90 GLY C . 7249 1 1144 . 1 1 106 106 GLY CA C 13 48.176 0.094 . 1 . . . . 90 GLY CA . 7249 1 1145 . 1 1 106 106 GLY N N 15 107.442 0.126 . 1 . . . . 90 GLY N . 7249 1 1146 . 1 1 107 107 ARG H H 1 7.751 0.003 . 1 . . . . 91 ARG H . 7249 1 1147 . 1 1 107 107 ARG HA H 1 4.284 0.008 . 1 . . . . 91 ARG HA . 7249 1 1148 . 1 1 107 107 ARG HB2 H 1 1.941 0.006 . 1 . . . . 91 ARG QB . 7249 1 1149 . 1 1 107 107 ARG HB3 H 1 1.941 0.006 . 1 . . . . 91 ARG QB . 7249 1 1150 . 1 1 107 107 ARG HG2 H 1 1.772 0.003 . 2 . . . . 91 ARG HG2 . 7249 1 1151 . 1 1 107 107 ARG HG3 H 1 1.666 0.002 . 2 . . . . 91 ARG HG3 . 7249 1 1152 . 1 1 107 107 ARG HD2 H 1 3.187 0.025 . 1 . . . . 91 ARG QD . 7249 1 1153 . 1 1 107 107 ARG HD3 H 1 3.187 0.025 . 1 . . . . 91 ARG QD . 7249 1 1154 . 1 1 107 107 ARG C C 13 181.323 0.200 . 1 . . . . 91 ARG C . 7249 1 1155 . 1 1 107 107 ARG CA C 13 59.167 0.076 . 1 . . . . 91 ARG CA . 7249 1 1156 . 1 1 107 107 ARG CB C 13 29.649 0.062 . 1 . . . . 91 ARG CB . 7249 1 1157 . 1 1 107 107 ARG CG C 13 27.244 0.034 . 1 . . . . 91 ARG CG . 7249 1 1158 . 1 1 107 107 ARG CD C 13 43.069 0.200 . 1 . . . . 91 ARG CD . 7249 1 1159 . 1 1 107 107 ARG N N 15 120.502 0.039 . 1 . . . . 91 ARG N . 7249 1 1160 . 1 1 108 108 ALA H H 1 7.960 0.006 . 1 . . . . 92 ALA H . 7249 1 1161 . 1 1 108 108 ALA HA H 1 4.199 0.008 . 1 . . . . 92 ALA HA . 7249 1 1162 . 1 1 108 108 ALA HB1 H 1 1.675 0.007 . 1 . . . . 92 ALA HB . 7249 1 1163 . 1 1 108 108 ALA HB2 H 1 1.675 0.007 . 1 . . . . 92 ALA HB . 7249 1 1164 . 1 1 108 108 ALA HB3 H 1 1.675 0.007 . 1 . . . . 92 ALA HB . 7249 1 1165 . 1 1 108 108 ALA C C 13 177.389 0.200 . 1 . . . . 92 ALA C . 7249 1 1166 . 1 1 108 108 ALA CA C 13 55.275 0.077 . 1 . . . . 92 ALA CA . 7249 1 1167 . 1 1 108 108 ALA CB C 13 19.178 0.101 . 1 . . . . 92 ALA CB . 7249 1 1168 . 1 1 108 108 ALA N N 15 123.964 0.047 . 1 . . . . 92 ALA N . 7249 1 1169 . 1 1 109 109 CYS H H 1 7.496 0.006 . 1 . . . . 93 CYS H . 7249 1 1170 . 1 1 109 109 CYS HA H 1 4.113 0.006 . 1 . . . . 93 CYS HA . 7249 1 1171 . 1 1 109 109 CYS HB2 H 1 2.804 0.007 . 2 . . . . 93 CYS HB2 . 7249 1 1172 . 1 1 109 109 CYS HB3 H 1 3.206 0.004 . 2 . . . . 93 CYS HB3 . 7249 1 1173 . 1 1 109 109 CYS C C 13 174.005 0.200 . 1 . . . . 93 CYS C . 7249 1 1174 . 1 1 109 109 CYS CA C 13 60.408 0.099 . 1 . . . . 93 CYS CA . 7249 1 1175 . 1 1 109 109 CYS CB C 13 27.882 0.089 . 1 . . . . 93 CYS CB . 7249 1 1176 . 1 1 109 109 CYS N N 15 111.397 0.095 . 1 . . . . 93 CYS N . 7249 1 1177 . 1 1 110 110 GLY H H 1 7.928 0.005 . 1 . . . . 94 GLY H . 7249 1 1178 . 1 1 110 110 GLY HA2 H 1 4.108 0.013 . 2 . . . . 94 GLY HA2 . 7249 1 1179 . 1 1 110 110 GLY HA3 H 1 3.825 0.012 . 2 . . . . 94 GLY HA3 . 7249 1 1180 . 1 1 110 110 GLY C C 13 174.721 0.200 . 1 . . . . 94 GLY C . 7249 1 1181 . 1 1 110 110 GLY CA C 13 46.134 0.084 . 1 . . . . 94 GLY CA . 7249 1 1182 . 1 1 110 110 GLY N N 15 107.000 0.099 . 1 . . . . 94 GLY N . 7249 1 1183 . 1 1 111 111 VAL H H 1 7.820 0.006 . 1 . . . . 95 VAL H . 7249 1 1184 . 1 1 111 111 VAL HA H 1 4.869 0.011 . 1 . . . . 95 VAL HA . 7249 1 1185 . 1 1 111 111 VAL HB H 1 2.221 0.008 . 1 . . . . 95 VAL HB . 7249 1 1186 . 1 1 111 111 VAL HG11 H 1 0.851 0.004 . 2 . . . . 95 VAL HG1 . 7249 1 1187 . 1 1 111 111 VAL HG12 H 1 0.851 0.004 . 2 . . . . 95 VAL HG1 . 7249 1 1188 . 1 1 111 111 VAL HG13 H 1 0.851 0.004 . 2 . . . . 95 VAL HG1 . 7249 1 1189 . 1 1 111 111 VAL HG21 H 1 0.775 0.005 . 2 . . . . 95 VAL HG2 . 7249 1 1190 . 1 1 111 111 VAL HG22 H 1 0.775 0.005 . 2 . . . . 95 VAL HG2 . 7249 1 1191 . 1 1 111 111 VAL HG23 H 1 0.775 0.005 . 2 . . . . 95 VAL HG2 . 7249 1 1192 . 1 1 111 111 VAL C C 13 175.215 0.200 . 1 . . . . 95 VAL C . 7249 1 1193 . 1 1 111 111 VAL CA C 13 59.001 0.084 . 1 . . . . 95 VAL CA . 7249 1 1194 . 1 1 111 111 VAL CB C 13 35.306 0.048 . 1 . . . . 95 VAL CB . 7249 1 1195 . 1 1 111 111 VAL CG1 C 13 22.778 0.118 . 1 . . . . 95 VAL CG1 . 7249 1 1196 . 1 1 111 111 VAL CG2 C 13 19.289 0.110 . 1 . . . . 95 VAL CG2 . 7249 1 1197 . 1 1 111 111 VAL N N 15 111.946 0.071 . 1 . . . . 95 VAL N . 7249 1 1198 . 1 1 112 112 SER H H 1 8.490 0.016 . 1 . . . . 96 SER H . 7249 1 1199 . 1 1 112 112 SER HA H 1 4.506 0.005 . 1 . . . . 96 SER HA . 7249 1 1200 . 1 1 112 112 SER HB2 H 1 3.930 0.011 . 1 . . . . 96 SER QB . 7249 1 1201 . 1 1 112 112 SER HB3 H 1 3.930 0.011 . 1 . . . . 96 SER QB . 7249 1 1202 . 1 1 112 112 SER C C 13 173.626 0.200 . 1 . . . . 96 SER C . 7249 1 1203 . 1 1 112 112 SER CA C 13 57.246 0.066 . 1 . . . . 96 SER CA . 7249 1 1204 . 1 1 112 112 SER CB C 13 62.807 0.018 . 1 . . . . 96 SER CB . 7249 1 1205 . 1 1 112 112 SER N N 15 116.287 0.037 . 1 . . . . 96 SER N . 7249 1 1206 . 1 1 113 113 ARG H H 1 7.086 0.003 . 1 . . . . 97 ARG H . 7249 1 1207 . 1 1 113 113 ARG HA H 1 4.900 0.006 . 1 . . . . 97 ARG HA . 7249 1 1208 . 1 1 113 113 ARG HB2 H 1 1.922 0.000 . 1 . . . . 97 ARG QB . 7249 1 1209 . 1 1 113 113 ARG HB3 H 1 1.922 0.000 . 1 . . . . 97 ARG QB . 7249 1 1210 . 1 1 113 113 ARG CA C 13 53.043 0.098 . 1 . . . . 97 ARG CA . 7249 1 1211 . 1 1 113 113 ARG CB C 13 30.351 0.035 . 1 . . . . 97 ARG CB . 7249 1 1212 . 1 1 113 113 ARG N N 15 118.701 0.039 . 1 . . . . 97 ARG N . 7249 1 1213 . 1 1 114 114 PRO HA H 1 4.210 0.008 . 1 . . . . 98 PRO HA . 7249 1 1214 . 1 1 114 114 PRO HB2 H 1 1.629 0.006 . 2 . . . . 98 PRO HB2 . 7249 1 1215 . 1 1 114 114 PRO HB3 H 1 1.821 0.010 . 2 . . . . 98 PRO HB3 . 7249 1 1216 . 1 1 114 114 PRO HG2 H 1 2.098 0.003 . 1 . . . . 98 PRO QG . 7249 1 1217 . 1 1 114 114 PRO HG3 H 1 2.098 0.003 . 1 . . . . 98 PRO QG . 7249 1 1218 . 1 1 114 114 PRO HD2 H 1 3.677 0.025 . 1 . . . . 98 PRO QD . 7249 1 1219 . 1 1 114 114 PRO HD3 H 1 3.677 0.025 . 1 . . . . 98 PRO QD . 7249 1 1220 . 1 1 114 114 PRO C C 13 176.074 0.200 . 1 . . . . 98 PRO C . 7249 1 1221 . 1 1 114 114 PRO CA C 13 62.728 0.040 . 1 . . . . 98 PRO CA . 7249 1 1222 . 1 1 114 114 PRO CB C 13 32.165 0.100 . 1 . . . . 98 PRO CB . 7249 1 1223 . 1 1 114 114 PRO CG C 13 27.591 0.075 . 1 . . . . 98 PRO CG . 7249 1 1224 . 1 1 114 114 PRO CD C 13 50.002 0.064 . 1 . . . . 98 PRO CD . 7249 1 1225 . 1 1 115 115 VAL H H 1 7.552 0.007 . 1 . . . . 99 VAL H . 7249 1 1226 . 1 1 115 115 VAL HA H 1 4.368 0.004 . 1 . . . . 99 VAL HA . 7249 1 1227 . 1 1 115 115 VAL HB H 1 1.371 0.011 . 1 . . . . 99 VAL HB . 7249 1 1228 . 1 1 115 115 VAL HG11 H 1 0.913 0.010 . 2 . . . . 99 VAL HG1 . 7249 1 1229 . 1 1 115 115 VAL HG12 H 1 0.913 0.010 . 2 . . . . 99 VAL HG1 . 7249 1 1230 . 1 1 115 115 VAL HG13 H 1 0.913 0.010 . 2 . . . . 99 VAL HG1 . 7249 1 1231 . 1 1 115 115 VAL HG21 H 1 0.936 0.004 . 2 . . . . 99 VAL HG2 . 7249 1 1232 . 1 1 115 115 VAL HG22 H 1 0.936 0.004 . 2 . . . . 99 VAL HG2 . 7249 1 1233 . 1 1 115 115 VAL HG23 H 1 0.936 0.004 . 2 . . . . 99 VAL HG2 . 7249 1 1234 . 1 1 115 115 VAL C C 13 174.505 0.200 . 1 . . . . 99 VAL C . 7249 1 1235 . 1 1 115 115 VAL CA C 13 61.324 0.123 . 1 . . . . 99 VAL CA . 7249 1 1236 . 1 1 115 115 VAL CB C 13 36.030 0.093 . 1 . . . . 99 VAL CB . 7249 1 1237 . 1 1 115 115 VAL CG1 C 13 23.617 0.050 . 1 . . . . 99 VAL CG1 . 7249 1 1238 . 1 1 115 115 VAL CG2 C 13 22.078 0.092 . 1 . . . . 99 VAL CG2 . 7249 1 1239 . 1 1 115 115 VAL N N 15 122.127 0.049 . 1 . . . . 99 VAL N . 7249 1 1240 . 1 1 116 116 ILE H H 1 8.521 0.003 . 1 . . . . 100 ILE H . 7249 1 1241 . 1 1 116 116 ILE HA H 1 4.599 0.005 . 1 . . . . 100 ILE HA . 7249 1 1242 . 1 1 116 116 ILE HB H 1 2.230 0.012 . 1 . . . . 100 ILE HB . 7249 1 1243 . 1 1 116 116 ILE HG12 H 1 1.213 0.006 . 2 . . . . 100 ILE HG12 . 7249 1 1244 . 1 1 116 116 ILE HG13 H 1 1.408 0.005 . 2 . . . . 100 ILE HG13 . 7249 1 1245 . 1 1 116 116 ILE HG21 H 1 0.935 0.009 . 1 . . . . 100 ILE HG2 . 7249 1 1246 . 1 1 116 116 ILE HG22 H 1 0.935 0.009 . 1 . . . . 100 ILE HG2 . 7249 1 1247 . 1 1 116 116 ILE HG23 H 1 0.935 0.009 . 1 . . . . 100 ILE HG2 . 7249 1 1248 . 1 1 116 116 ILE HD11 H 1 0.950 0.007 . 1 . . . . 100 ILE HD1 . 7249 1 1249 . 1 1 116 116 ILE HD12 H 1 0.950 0.007 . 1 . . . . 100 ILE HD1 . 7249 1 1250 . 1 1 116 116 ILE HD13 H 1 0.950 0.007 . 1 . . . . 100 ILE HD1 . 7249 1 1251 . 1 1 116 116 ILE C C 13 175.068 0.200 . 1 . . . . 100 ILE C . 7249 1 1252 . 1 1 116 116 ILE CA C 13 61.042 0.055 . 1 . . . . 100 ILE CA . 7249 1 1253 . 1 1 116 116 ILE CB C 13 39.135 0.071 . 1 . . . . 100 ILE CB . 7249 1 1254 . 1 1 116 116 ILE CG1 C 13 25.235 0.070 . 1 . . . . 100 ILE CG1 . 7249 1 1255 . 1 1 116 116 ILE CG2 C 13 18.462 0.064 . 1 . . . . 100 ILE CG2 . 7249 1 1256 . 1 1 116 116 ILE CD1 C 13 15.225 0.020 . 1 . . . . 100 ILE CD1 . 7249 1 1257 . 1 1 116 116 ILE N N 15 115.103 0.104 . 1 . . . . 100 ILE N . 7249 1 1258 . 1 1 117 117 ALA H H 1 7.114 0.004 . 1 . . . . 101 ALA H . 7249 1 1259 . 1 1 117 117 ALA HA H 1 5.249 0.005 . 1 . . . . 101 ALA HA . 7249 1 1260 . 1 1 117 117 ALA HB1 H 1 0.987 0.005 . 1 . . . . 101 ALA HB . 7249 1 1261 . 1 1 117 117 ALA HB2 H 1 0.987 0.005 . 1 . . . . 101 ALA HB . 7249 1 1262 . 1 1 117 117 ALA HB3 H 1 0.987 0.005 . 1 . . . . 101 ALA HB . 7249 1 1263 . 1 1 117 117 ALA C C 13 174.703 0.200 . 1 . . . . 101 ALA C . 7249 1 1264 . 1 1 117 117 ALA CA C 13 51.127 0.120 . 1 . . . . 101 ALA CA . 7249 1 1265 . 1 1 117 117 ALA CB C 13 21.468 0.095 . 1 . . . . 101 ALA CB . 7249 1 1266 . 1 1 117 117 ALA N N 15 119.177 0.028 . 1 . . . . 101 ALA N . 7249 1 1267 . 1 1 118 118 CYS H H 1 9.280 0.007 . 1 . . . . 102 CYS H . 7249 1 1268 . 1 1 118 118 CYS HA H 1 5.003 0.004 . 1 . . . . 102 CYS HA . 7249 1 1269 . 1 1 118 118 CYS HB2 H 1 2.867 0.027 . 2 . . . . 102 CYS HB2 . 7249 1 1270 . 1 1 118 118 CYS HB3 H 1 2.943 0.014 . 2 . . . . 102 CYS HB3 . 7249 1 1271 . 1 1 118 118 CYS C C 13 170.220 0.200 . 1 . . . . 102 CYS C . 7249 1 1272 . 1 1 118 118 CYS CA C 13 56.511 0.068 . 1 . . . . 102 CYS CA . 7249 1 1273 . 1 1 118 118 CYS CB C 13 31.192 0.060 . 1 . . . . 102 CYS CB . 7249 1 1274 . 1 1 118 118 CYS N N 15 114.438 0.058 . 1 . . . . 102 CYS N . 7249 1 1275 . 1 1 119 119 SER H H 1 8.770 0.003 . 1 . . . . 103 SER H . 7249 1 1276 . 1 1 119 119 SER HA H 1 5.092 0.005 . 1 . . . . 103 SER HA . 7249 1 1277 . 1 1 119 119 SER HB2 H 1 3.226 0.019 . 2 . . . . 103 SER HB2 . 7249 1 1278 . 1 1 119 119 SER HB3 H 1 3.459 0.008 . 2 . . . . 103 SER HB3 . 7249 1 1279 . 1 1 119 119 SER C C 13 173.881 0.200 . 1 . . . . 103 SER C . 7249 1 1280 . 1 1 119 119 SER CA C 13 54.433 0.100 . 1 . . . . 103 SER CA . 7249 1 1281 . 1 1 119 119 SER CB C 13 66.269 0.086 . 1 . . . . 103 SER CB . 7249 1 1282 . 1 1 119 119 SER N N 15 113.021 0.080 . 1 . . . . 103 SER N . 7249 1 1283 . 1 1 120 120 VAL H H 1 7.536 0.008 . 1 . . . . 104 VAL H . 7249 1 1284 . 1 1 120 120 VAL HA H 1 4.804 0.004 . 1 . . . . 104 VAL HA . 7249 1 1285 . 1 1 120 120 VAL HB H 1 0.589 0.012 . 1 . . . . 104 VAL HB . 7249 1 1286 . 1 1 120 120 VAL HG11 H 1 0.750 0.001 . 2 . . . . 104 VAL HG1 . 7249 1 1287 . 1 1 120 120 VAL HG12 H 1 0.750 0.001 . 2 . . . . 104 VAL HG1 . 7249 1 1288 . 1 1 120 120 VAL HG13 H 1 0.750 0.001 . 2 . . . . 104 VAL HG1 . 7249 1 1289 . 1 1 120 120 VAL HG21 H 1 0.540 0.007 . 2 . . . . 104 VAL HG2 . 7249 1 1290 . 1 1 120 120 VAL HG22 H 1 0.540 0.007 . 2 . . . . 104 VAL HG2 . 7249 1 1291 . 1 1 120 120 VAL HG23 H 1 0.540 0.007 . 2 . . . . 104 VAL HG2 . 7249 1 1292 . 1 1 120 120 VAL C C 13 176.128 0.200 . 1 . . . . 104 VAL C . 7249 1 1293 . 1 1 120 120 VAL CA C 13 61.302 0.043 . 1 . . . . 104 VAL CA . 7249 1 1294 . 1 1 120 120 VAL CB C 13 31.795 0.069 . 1 . . . . 104 VAL CB . 7249 1 1295 . 1 1 120 120 VAL CG1 C 13 22.102 0.048 . 1 . . . . 104 VAL CG . 7249 1 1296 . 1 1 120 120 VAL CG2 C 13 22.102 0.048 . 1 . . . . 104 VAL CG . 7249 1 1297 . 1 1 120 120 VAL N N 15 130.180 0.100 . 1 . . . . 104 VAL N . 7249 1 1298 . 1 1 121 121 THR H H 1 8.496 0.004 . 1 . . . . 105 THR H . 7249 1 1299 . 1 1 121 121 THR HA H 1 5.116 0.008 . 1 . . . . 105 THR HA . 7249 1 1300 . 1 1 121 121 THR HB H 1 4.304 0.001 . 1 . . . . 105 THR HB . 7249 1 1301 . 1 1 121 121 THR HG21 H 1 0.947 0.002 . 1 . . . . 105 THR HG2 . 7249 1 1302 . 1 1 121 121 THR HG22 H 1 0.947 0.002 . 1 . . . . 105 THR HG2 . 7249 1 1303 . 1 1 121 121 THR HG23 H 1 0.947 0.002 . 1 . . . . 105 THR HG2 . 7249 1 1304 . 1 1 121 121 THR C C 13 173.741 0.200 . 1 . . . . 105 THR C . 7249 1 1305 . 1 1 121 121 THR CA C 13 60.268 0.051 . 1 . . . . 105 THR CA . 7249 1 1306 . 1 1 121 121 THR CB C 13 70.571 0.068 . 1 . . . . 105 THR CB . 7249 1 1307 . 1 1 121 121 THR CG2 C 13 22.635 0.011 . 1 . . . . 105 THR CG2 . 7249 1 1308 . 1 1 121 121 THR N N 15 118.447 0.050 . 1 . . . . 105 THR N . 7249 1 1309 . 1 1 122 122 ILE H H 1 8.116 0.008 . 1 . . . . 106 ILE H . 7249 1 1310 . 1 1 122 122 ILE HA H 1 3.938 0.005 . 1 . . . . 106 ILE HA . 7249 1 1311 . 1 1 122 122 ILE HB H 1 1.433 0.006 . 1 . . . . 106 ILE HB . 7249 1 1312 . 1 1 122 122 ILE HG21 H 1 0.785 0.006 . 1 . . . . 106 ILE HG2 . 7249 1 1313 . 1 1 122 122 ILE HG22 H 1 0.785 0.006 . 1 . . . . 106 ILE HG2 . 7249 1 1314 . 1 1 122 122 ILE HG23 H 1 0.785 0.006 . 1 . . . . 106 ILE HG2 . 7249 1 1315 . 1 1 122 122 ILE HD11 H 1 0.822 0.006 . 1 . . . . 106 ILE HD1 . 7249 1 1316 . 1 1 122 122 ILE HD12 H 1 0.822 0.006 . 1 . . . . 106 ILE HD1 . 7249 1 1317 . 1 1 122 122 ILE HD13 H 1 0.822 0.006 . 1 . . . . 106 ILE HD1 . 7249 1 1318 . 1 1 122 122 ILE C C 13 176.871 0.200 . 1 . . . . 106 ILE C . 7249 1 1319 . 1 1 122 122 ILE CA C 13 61.669 0.127 . 1 . . . . 106 ILE CA . 7249 1 1320 . 1 1 122 122 ILE CB C 13 40.049 0.097 . 1 . . . . 106 ILE CB . 7249 1 1321 . 1 1 122 122 ILE CG1 C 13 27.704 0.200 . 1 . . . . 106 ILE CG1 . 7249 1 1322 . 1 1 122 122 ILE CG2 C 13 16.496 0.068 . 1 . . . . 106 ILE CG2 . 7249 1 1323 . 1 1 122 122 ILE CD1 C 13 14.347 0.082 . 1 . . . . 106 ILE CD1 . 7249 1 1324 . 1 1 122 122 ILE N N 15 119.519 0.027 . 1 . . . . 106 ILE N . 7249 1 1325 . 1 1 122 122 ILE HG12 H 1 1.340 0.002 . 1 . . . . 106 ILE QG . 7249 1 1326 . 1 1 122 122 ILE HG13 H 1 1.340 0.002 . 1 . . . . 106 ILE QG . 7249 1 1327 . 1 1 123 123 LYS H H 1 8.932 0.028 . 1 . . . . 107 LYS H . 7249 1 1328 . 1 1 123 123 LYS HA H 1 4.542 0.004 . 1 . . . . 107 LYS HA . 7249 1 1329 . 1 1 123 123 LYS HB2 H 1 1.638 0.009 . 1 . . . . 107 LYS QB . 7249 1 1330 . 1 1 123 123 LYS HB3 H 1 1.638 0.009 . 1 . . . . 107 LYS QB . 7249 1 1331 . 1 1 123 123 LYS HG2 H 1 1.295 0.002 . 2 . . . . 107 LYS HG2 . 7249 1 1332 . 1 1 123 123 LYS HG3 H 1 1.389 0.025 . 2 . . . . 107 LYS HG3 . 7249 1 1333 . 1 1 123 123 LYS HD2 H 1 1.713 0.001 . 1 . . . . 107 LYS QD . 7249 1 1334 . 1 1 123 123 LYS HD3 H 1 1.713 0.001 . 1 . . . . 107 LYS QD . 7249 1 1335 . 1 1 123 123 LYS HE2 H 1 3.058 0.008 . 1 . . . . 107 LYS QE . 7249 1 1336 . 1 1 123 123 LYS HE3 H 1 3.058 0.008 . 1 . . . . 107 LYS QE . 7249 1 1337 . 1 1 123 123 LYS C C 13 175.593 0.200 . 1 . . . . 107 LYS C . 7249 1 1338 . 1 1 123 123 LYS CA C 13 55.460 0.073 . 1 . . . . 107 LYS CA . 7249 1 1339 . 1 1 123 123 LYS CB C 13 35.574 0.062 . 1 . . . . 107 LYS CB . 7249 1 1340 . 1 1 123 123 LYS CG C 13 24.616 0.200 . 1 . . . . 107 LYS CG . 7249 1 1341 . 1 1 123 123 LYS CD C 13 29.381 0.004 . 1 . . . . 107 LYS CD . 7249 1 1342 . 1 1 123 123 LYS CE C 13 42.416 0.057 . 1 . . . . 107 LYS CE . 7249 1 1343 . 1 1 123 123 LYS N N 15 131.306 0.152 . 1 . . . . 107 LYS N . 7249 1 1344 . 1 1 124 124 GLU H H 1 9.183 0.013 . 1 . . . . 108 GLU H . 7249 1 1345 . 1 1 124 124 GLU HA H 1 4.091 0.002 . 1 . . . . 108 GLU HA . 7249 1 1346 . 1 1 124 124 GLU HB2 H 1 1.976 0.004 . 1 . . . . 108 GLU QB . 7249 1 1347 . 1 1 124 124 GLU HB3 H 1 1.976 0.004 . 1 . . . . 108 GLU QB . 7249 1 1348 . 1 1 124 124 GLU HG2 H 1 2.276 0.006 . 1 . . . . 108 GLU QG . 7249 1 1349 . 1 1 124 124 GLU HG3 H 1 2.276 0.006 . 1 . . . . 108 GLU QG . 7249 1 1350 . 1 1 124 124 GLU C C 13 177.568 0.200 . 1 . . . . 108 GLU C . 7249 1 1351 . 1 1 124 124 GLU CA C 13 58.174 0.049 . 1 . . . . 108 GLU CA . 7249 1 1352 . 1 1 124 124 GLU CB C 13 29.114 0.019 . 1 . . . . 108 GLU CB . 7249 1 1353 . 1 1 124 124 GLU CG C 13 35.740 0.081 . 1 . . . . 108 GLU CG . 7249 1 1354 . 1 1 124 124 GLU N N 15 131.131 0.096 . 1 . . . . 108 GLU N . 7249 1 1355 . 1 1 125 125 GLY H H 1 9.075 0.020 . 1 . . . . 109 GLY H . 7249 1 1356 . 1 1 125 125 GLY HA2 H 1 4.072 0.008 . 2 . . . . 109 GLY HA2 . 7249 1 1357 . 1 1 125 125 GLY HA3 H 1 3.795 0.004 . 2 . . . . 109 GLY HA3 . 7249 1 1358 . 1 1 125 125 GLY C C 13 174.743 0.200 . 1 . . . . 109 GLY C . 7249 1 1359 . 1 1 125 125 GLY CA C 13 45.684 0.114 . 1 . . . . 109 GLY CA . 7249 1 1360 . 1 1 125 125 GLY N N 15 114.300 0.062 . 1 . . . . 109 GLY N . 7249 1 1361 . 1 1 126 126 SER H H 1 7.465 0.010 . 1 . . . . 110 SER H . 7249 1 1362 . 1 1 126 126 SER HA H 1 4.122 0.005 . 1 . . . . 110 SER HA . 7249 1 1363 . 1 1 126 126 SER HB2 H 1 3.716 0.008 . 1 . . . . 110 SER QB . 7249 1 1364 . 1 1 126 126 SER HB3 H 1 3.716 0.008 . 1 . . . . 110 SER QB . 7249 1 1365 . 1 1 126 126 SER C C 13 178.076 0.200 . 1 . . . . 110 SER C . 7249 1 1366 . 1 1 126 126 SER CA C 13 58.520 0.062 . 1 . . . . 110 SER CA . 7249 1 1367 . 1 1 126 126 SER CB C 13 63.673 0.070 . 1 . . . . 110 SER CB . 7249 1 1368 . 1 1 126 126 SER N N 15 111.588 0.064 . 1 . . . . 110 SER N . 7249 1 1369 . 1 1 127 127 GLN H H 1 9.247 0.018 . 1 . . . . 111 GLN H . 7249 1 1370 . 1 1 127 127 GLN HA H 1 4.306 0.006 . 1 . . . . 111 GLN HA . 7249 1 1371 . 1 1 127 127 GLN HB2 H 1 1.835 0.005 . 2 . . . . 111 GLN HB2 . 7249 1 1372 . 1 1 127 127 GLN HB3 H 1 2.174 0.006 . 2 . . . . 111 GLN HB3 . 7249 1 1373 . 1 1 127 127 GLN HG2 H 1 2.458 0.006 . 1 . . . . 111 GLN QG . 7249 1 1374 . 1 1 127 127 GLN HG3 H 1 2.458 0.006 . 1 . . . . 111 GLN QG . 7249 1 1375 . 1 1 127 127 GLN C C 13 176.430 0.200 . 1 . . . . 111 GLN C . 7249 1 1376 . 1 1 127 127 GLN CA C 13 57.460 0.091 . 1 . . . . 111 GLN CA . 7249 1 1377 . 1 1 127 127 GLN CB C 13 28.462 0.069 . 1 . . . . 111 GLN CB . 7249 1 1378 . 1 1 127 127 GLN CG C 13 34.134 0.057 . 1 . . . . 111 GLN CG . 7249 1 1379 . 1 1 127 127 GLN N N 15 129.097 0.074 . 1 . . . . 111 GLN N . 7249 1 1380 . 1 1 128 128 LEU H H 1 8.387 0.009 . 1 . . . . 112 LEU H . 7249 1 1381 . 1 1 128 128 LEU HA H 1 4.417 0.006 . 1 . . . . 112 LEU HA . 7249 1 1382 . 1 1 128 128 LEU HB2 H 1 1.460 0.030 . 1 . . . . 112 LEU QB . 7249 1 1383 . 1 1 128 128 LEU HB3 H 1 1.460 0.030 . 1 . . . . 112 LEU QB . 7249 1 1384 . 1 1 128 128 LEU HG H 1 1.034 0.004 . 1 . . . . 112 LEU HG . 7249 1 1385 . 1 1 128 128 LEU HD11 H 1 0.596 0.007 . 2 . . . . 112 LEU HD1 . 7249 1 1386 . 1 1 128 128 LEU HD12 H 1 0.596 0.007 . 2 . . . . 112 LEU HD1 . 7249 1 1387 . 1 1 128 128 LEU HD13 H 1 0.596 0.007 . 2 . . . . 112 LEU HD1 . 7249 1 1388 . 1 1 128 128 LEU HD21 H 1 0.646 0.008 . 2 . . . . 112 LEU HD2 . 7249 1 1389 . 1 1 128 128 LEU HD22 H 1 0.646 0.008 . 2 . . . . 112 LEU HD2 . 7249 1 1390 . 1 1 128 128 LEU HD23 H 1 0.646 0.008 . 2 . . . . 112 LEU HD2 . 7249 1 1391 . 1 1 128 128 LEU C C 13 176.897 0.200 . 1 . . . . 112 LEU C . 7249 1 1392 . 1 1 128 128 LEU CA C 13 53.907 0.097 . 1 . . . . 112 LEU CA . 7249 1 1393 . 1 1 128 128 LEU CB C 13 41.938 0.038 . 1 . . . . 112 LEU CB . 7249 1 1394 . 1 1 128 128 LEU CG C 13 26.256 0.039 . 1 . . . . 112 LEU CG . 7249 1 1395 . 1 1 128 128 LEU CD1 C 13 22.243 0.053 . 1 . . . . 112 LEU CD1 . 7249 1 1396 . 1 1 128 128 LEU CD2 C 13 25.167 0.061 . 1 . . . . 112 LEU CD2 . 7249 1 1397 . 1 1 128 128 LEU N N 15 117.383 0.051 . 1 . . . . 112 LEU N . 7249 1 1398 . 1 1 129 129 LYS H H 1 7.134 0.005 . 1 . . . . 113 LYS H . 7249 1 1399 . 1 1 129 129 LYS HA H 1 3.833 0.002 . 1 . . . . 113 LYS HA . 7249 1 1400 . 1 1 129 129 LYS HB2 H 1 1.990 0.003 . 1 . . . . 113 LYS QB . 7249 1 1401 . 1 1 129 129 LYS HB3 H 1 1.990 0.003 . 1 . . . . 113 LYS QB . 7249 1 1402 . 1 1 129 129 LYS HE2 H 1 2.987 0.031 . 1 . . . . 113 LYS QE . 7249 1 1403 . 1 1 129 129 LYS HE3 H 1 2.987 0.031 . 1 . . . . 113 LYS QE . 7249 1 1404 . 1 1 129 129 LYS C C 13 177.027 0.200 . 1 . . . . 113 LYS C . 7249 1 1405 . 1 1 129 129 LYS CA C 13 59.926 0.063 . 1 . . . . 113 LYS CA . 7249 1 1406 . 1 1 129 129 LYS CB C 13 32.868 0.045 . 1 . . . . 113 LYS CB . 7249 1 1407 . 1 1 129 129 LYS CD C 13 28.806 0.200 . 1 . . . . 113 LYS CD . 7249 1 1408 . 1 1 129 129 LYS CE C 13 42.293 0.042 . 1 . . . . 113 LYS CE . 7249 1 1409 . 1 1 129 129 LYS N N 15 119.454 0.060 . 1 . . . . 113 LYS N . 7249 1 1410 . 1 1 130 130 GLN H H 1 8.659 0.013 . 1 . . . . 114 GLN H . 7249 1 1411 . 1 1 130 130 GLN HA H 1 4.137 0.009 . 1 . . . . 114 GLN HA . 7249 1 1412 . 1 1 130 130 GLN HB2 H 1 2.111 0.006 . 1 . . . . 114 GLN QB . 7249 1 1413 . 1 1 130 130 GLN HB3 H 1 2.111 0.006 . 1 . . . . 114 GLN QB . 7249 1 1414 . 1 1 130 130 GLN HG2 H 1 2.441 0.006 . 1 . . . . 114 GLN QG . 7249 1 1415 . 1 1 130 130 GLN HG3 H 1 2.441 0.006 . 1 . . . . 114 GLN QG . 7249 1 1416 . 1 1 130 130 GLN HE21 H 1 7.579 0.025 . 2 . . . . 114 GLN HE21 . 7249 1 1417 . 1 1 130 130 GLN HE22 H 1 6.905 0.008 . 2 . . . . 114 GLN HE22 . 7249 1 1418 . 1 1 130 130 GLN C C 13 179.124 0.200 . 1 . . . . 114 GLN C . 7249 1 1419 . 1 1 130 130 GLN CA C 13 59.641 0.081 . 1 . . . . 114 GLN CA . 7249 1 1420 . 1 1 130 130 GLN CB C 13 27.934 0.048 . 1 . . . . 114 GLN CB . 7249 1 1421 . 1 1 130 130 GLN CG C 13 34.424 0.088 . 1 . . . . 114 GLN CG . 7249 1 1422 . 1 1 130 130 GLN N N 15 117.061 0.048 . 1 . . . . 114 GLN N . 7249 1 1423 . 1 1 130 130 GLN NE2 N 15 111.853 0.071 . 1 . . . . 114 GLN NE2 . 7249 1 1424 . 1 1 131 131 GLN H H 1 8.107 0.012 . 1 . . . . 115 GLN H . 7249 1 1425 . 1 1 131 131 GLN HA H 1 4.358 0.002 . 1 . . . . 115 GLN HA . 7249 1 1426 . 1 1 131 131 GLN HB2 H 1 2.115 0.025 . 1 . . . . 115 GLN QB . 7249 1 1427 . 1 1 131 131 GLN HB3 H 1 2.115 0.025 . 1 . . . . 115 GLN QB . 7249 1 1428 . 1 1 131 131 GLN C C 13 179.100 0.200 . 1 . . . . 115 GLN C . 7249 1 1429 . 1 1 131 131 GLN CA C 13 55.920 0.117 . 1 . . . . 115 GLN CA . 7249 1 1430 . 1 1 131 131 GLN CB C 13 30.004 0.037 . 1 . . . . 115 GLN CB . 7249 1 1431 . 1 1 131 131 GLN CG C 13 35.147 0.200 . 1 . . . . 115 GLN CG . 7249 1 1432 . 1 1 131 131 GLN N N 15 120.498 0.065 . 1 . . . . 115 GLN N . 7249 1 1433 . 1 1 132 132 ILE H H 1 8.705 0.013 . 1 . . . . 116 ILE H . 7249 1 1434 . 1 1 132 132 ILE HA H 1 3.499 0.007 . 1 . . . . 116 ILE HA . 7249 1 1435 . 1 1 132 132 ILE HB H 1 1.973 0.007 . 1 . . . . 116 ILE HB . 7249 1 1436 . 1 1 132 132 ILE HG12 H 1 0.862 0.020 . 2 . . . . 116 ILE HG12 . 7249 1 1437 . 1 1 132 132 ILE HG13 H 1 1.880 0.007 . 2 . . . . 116 ILE HG13 . 7249 1 1438 . 1 1 132 132 ILE HG21 H 1 0.849 0.008 . 1 . . . . 116 ILE HG2 . 7249 1 1439 . 1 1 132 132 ILE HG22 H 1 0.849 0.008 . 1 . . . . 116 ILE HG2 . 7249 1 1440 . 1 1 132 132 ILE HG23 H 1 0.849 0.008 . 1 . . . . 116 ILE HG2 . 7249 1 1441 . 1 1 132 132 ILE HD11 H 1 0.714 0.006 . 1 . . . . 116 ILE HD1 . 7249 1 1442 . 1 1 132 132 ILE HD12 H 1 0.714 0.006 . 1 . . . . 116 ILE HD1 . 7249 1 1443 . 1 1 132 132 ILE HD13 H 1 0.714 0.006 . 1 . . . . 116 ILE HD1 . 7249 1 1444 . 1 1 132 132 ILE C C 13 177.270 0.200 . 1 . . . . 116 ILE C . 7249 1 1445 . 1 1 132 132 ILE CA C 13 66.087 0.049 . 1 . . . . 116 ILE CA . 7249 1 1446 . 1 1 132 132 ILE CB C 13 38.124 0.058 . 1 . . . . 116 ILE CB . 7249 1 1447 . 1 1 132 132 ILE CG1 C 13 31.164 0.100 . 1 . . . . 116 ILE CG1 . 7249 1 1448 . 1 1 132 132 ILE CG2 C 13 17.063 0.094 . 1 . . . . 116 ILE CG2 . 7249 1 1449 . 1 1 132 132 ILE CD1 C 13 14.500 0.035 . 1 . . . . 116 ILE CD1 . 7249 1 1450 . 1 1 132 132 ILE N N 15 121.130 0.089 . 1 . . . . 116 ILE N . 7249 1 1451 . 1 1 133 133 GLN H H 1 8.600 0.007 . 1 . . . . 117 GLN H . 7249 1 1452 . 1 1 133 133 GLN HA H 1 4.543 0.007 . 1 . . . . 117 GLN HA . 7249 1 1453 . 1 1 133 133 GLN HB2 H 1 2.050 0.016 . 2 . . . . 117 GLN HB2 . 7249 1 1454 . 1 1 133 133 GLN HB3 H 1 2.246 0.011 . 2 . . . . 117 GLN HB3 . 7249 1 1455 . 1 1 133 133 GLN HG2 H 1 2.599 0.020 . 1 . . . . 117 GLN QG . 7249 1 1456 . 1 1 133 133 GLN HG3 H 1 2.599 0.020 . 1 . . . . 117 GLN QG . 7249 1 1457 . 1 1 133 133 GLN HE21 H 1 7.371 0.000 . 2 . . . . 117 GLN HE21 . 7249 1 1458 . 1 1 133 133 GLN HE22 H 1 6.988 0.013 . 2 . . . . 117 GLN HE22 . 7249 1 1459 . 1 1 133 133 GLN C C 13 179.070 0.200 . 1 . . . . 117 GLN C . 7249 1 1460 . 1 1 133 133 GLN CA C 13 58.916 0.067 . 1 . . . . 117 GLN CA . 7249 1 1461 . 1 1 133 133 GLN CB C 13 28.451 0.068 . 1 . . . . 117 GLN CB . 7249 1 1462 . 1 1 133 133 GLN CG C 13 34.672 0.087 . 1 . . . . 117 GLN CG . 7249 1 1463 . 1 1 133 133 GLN N N 15 119.083 0.044 . 1 . . . . 117 GLN N . 7249 1 1464 . 1 1 133 133 GLN NE2 N 15 111.787 0.051 . 1 . . . . 117 GLN NE2 . 7249 1 1465 . 1 1 134 134 SER H H 1 7.846 0.006 . 1 . . . . 118 SER H . 7249 1 1466 . 1 1 134 134 SER HA H 1 4.225 0.007 . 1 . . . . 118 SER HA . 7249 1 1467 . 1 1 134 134 SER HB2 H 1 3.989 0.007 . 1 . . . . 118 SER QB . 7249 1 1468 . 1 1 134 134 SER HB3 H 1 3.989 0.007 . 1 . . . . 118 SER QB . 7249 1 1469 . 1 1 134 134 SER C C 13 177.796 0.200 . 1 . . . . 118 SER C . 7249 1 1470 . 1 1 134 134 SER CA C 13 61.346 0.064 . 1 . . . . 118 SER CA . 7249 1 1471 . 1 1 134 134 SER CB C 13 62.836 0.037 . 1 . . . . 118 SER CB . 7249 1 1472 . 1 1 134 134 SER N N 15 113.864 0.082 . 1 . . . . 118 SER N . 7249 1 1473 . 1 1 135 135 ILE H H 1 7.903 0.004 . 1 . . . . 119 ILE H . 7249 1 1474 . 1 1 135 135 ILE HA H 1 3.718 0.004 . 1 . . . . 119 ILE HA . 7249 1 1475 . 1 1 135 135 ILE HB H 1 1.819 0.005 . 1 . . . . 119 ILE HB . 7249 1 1476 . 1 1 135 135 ILE HG12 H 1 1.227 0.001 . 2 . . . . 119 ILE HG12 . 7249 1 1477 . 1 1 135 135 ILE HG13 H 1 1.334 0.006 . 2 . . . . 119 ILE HG13 . 7249 1 1478 . 1 1 135 135 ILE HG21 H 1 0.017 0.007 . 1 . . . . 119 ILE HG2 . 7249 1 1479 . 1 1 135 135 ILE HG22 H 1 0.017 0.007 . 1 . . . . 119 ILE HG2 . 7249 1 1480 . 1 1 135 135 ILE HG23 H 1 0.017 0.007 . 1 . . . . 119 ILE HG2 . 7249 1 1481 . 1 1 135 135 ILE HD11 H 1 0.613 0.009 . 1 . . . . 119 ILE HD1 . 7249 1 1482 . 1 1 135 135 ILE HD12 H 1 0.613 0.009 . 1 . . . . 119 ILE HD1 . 7249 1 1483 . 1 1 135 135 ILE HD13 H 1 0.613 0.009 . 1 . . . . 119 ILE HD1 . 7249 1 1484 . 1 1 135 135 ILE C C 13 177.749 0.200 . 1 . . . . 119 ILE C . 7249 1 1485 . 1 1 135 135 ILE CA C 13 62.680 0.082 . 1 . . . . 119 ILE CA . 7249 1 1486 . 1 1 135 135 ILE CB C 13 35.594 0.072 . 1 . . . . 119 ILE CB . 7249 1 1487 . 1 1 135 135 ILE CG1 C 13 29.791 0.044 . 1 . . . . 119 ILE CG1 . 7249 1 1488 . 1 1 135 135 ILE CG2 C 13 18.218 0.075 . 1 . . . . 119 ILE CG2 . 7249 1 1489 . 1 1 135 135 ILE CD1 C 13 11.289 0.049 . 1 . . . . 119 ILE CD1 . 7249 1 1490 . 1 1 135 135 ILE N N 15 123.434 0.043 . 1 . . . . 119 ILE N . 7249 1 1491 . 1 1 136 136 GLN H H 1 8.803 0.006 . 1 . . . . 120 GLN H . 7249 1 1492 . 1 1 136 136 GLN HA H 1 3.470 0.006 . 1 . . . . 120 GLN HA . 7249 1 1493 . 1 1 136 136 GLN HB2 H 1 2.038 0.015 . 2 . . . . 120 GLN HB2 . 7249 1 1494 . 1 1 136 136 GLN HB3 H 1 2.567 0.003 . 2 . . . . 120 GLN HB3 . 7249 1 1495 . 1 1 136 136 GLN HG2 H 1 2.613 0.010 . 2 . . . . 120 GLN HG2 . 7249 1 1496 . 1 1 136 136 GLN HG3 H 1 2.094 0.004 . 2 . . . . 120 GLN HG3 . 7249 1 1497 . 1 1 136 136 GLN C C 13 178.201 0.200 . 1 . . . . 120 GLN C . 7249 1 1498 . 1 1 136 136 GLN CA C 13 60.247 0.053 . 1 . . . . 120 GLN CA . 7249 1 1499 . 1 1 136 136 GLN CB C 13 27.787 0.108 . 1 . . . . 120 GLN CB . 7249 1 1500 . 1 1 136 136 GLN CG C 13 35.117 0.090 . 1 . . . . 120 GLN CG . 7249 1 1501 . 1 1 136 136 GLN N N 15 120.604 0.040 . 1 . . . . 120 GLN N . 7249 1 1502 . 1 1 137 137 GLN H H 1 7.941 0.004 . 1 . . . . 121 GLN H . 7249 1 1503 . 1 1 137 137 GLN HA H 1 4.057 0.002 . 1 . . . . 121 GLN HA . 7249 1 1504 . 1 1 137 137 GLN HB2 H 1 2.172 0.039 . 1 . . . . 121 GLN QB . 7249 1 1505 . 1 1 137 137 GLN HB3 H 1 2.172 0.039 . 1 . . . . 121 GLN QB . 7249 1 1506 . 1 1 137 137 GLN C C 13 178.860 0.200 . 1 . . . . 121 GLN C . 7249 1 1507 . 1 1 137 137 GLN CA C 13 58.920 0.045 . 1 . . . . 121 GLN CA . 7249 1 1508 . 1 1 137 137 GLN CB C 13 28.299 0.097 . 1 . . . . 121 GLN CB . 7249 1 1509 . 1 1 137 137 GLN CG C 13 34.245 0.200 . 1 . . . . 121 GLN CG . 7249 1 1510 . 1 1 137 137 GLN N N 15 116.932 0.061 . 1 . . . . 121 GLN N . 7249 1 1511 . 1 1 138 138 SER H H 1 7.961 0.010 . 1 . . . . 122 SER H . 7249 1 1512 . 1 1 138 138 SER C C 13 176.371 0.200 . 1 . . . . 122 SER C . 7249 1 1513 . 1 1 138 138 SER CB C 13 62.914 0.038 . 1 . . . . 122 SER CB . 7249 1 1514 . 1 1 138 138 SER N N 15 116.458 0.038 . 1 . . . . 122 SER N . 7249 1 1515 . 1 1 139 139 ILE H H 1 8.410 0.006 . 1 . . . . 123 ILE H . 7249 1 1516 . 1 1 139 139 ILE HA H 1 3.400 0.004 . 1 . . . . 123 ILE HA . 7249 1 1517 . 1 1 139 139 ILE HB H 1 1.582 0.007 . 1 . . . . 123 ILE HB . 7249 1 1518 . 1 1 139 139 ILE HG12 H 1 1.691 0.001 . 2 . . . . 123 ILE HG12 . 7249 1 1519 . 1 1 139 139 ILE HG13 H 1 0.363 0.008 . 2 . . . . 123 ILE HG13 . 7249 1 1520 . 1 1 139 139 ILE HG21 H 1 0.633 0.007 . 1 . . . . 123 ILE HG2 . 7249 1 1521 . 1 1 139 139 ILE HG22 H 1 0.633 0.007 . 1 . . . . 123 ILE HG2 . 7249 1 1522 . 1 1 139 139 ILE HG23 H 1 0.633 0.007 . 1 . . . . 123 ILE HG2 . 7249 1 1523 . 1 1 139 139 ILE HD11 H 1 0.199 0.007 . 1 . . . . 123 ILE HD1 . 7249 1 1524 . 1 1 139 139 ILE HD12 H 1 0.199 0.007 . 1 . . . . 123 ILE HD1 . 7249 1 1525 . 1 1 139 139 ILE HD13 H 1 0.199 0.007 . 1 . . . . 123 ILE HD1 . 7249 1 1526 . 1 1 139 139 ILE C C 13 177.385 0.200 . 1 . . . . 123 ILE C . 7249 1 1527 . 1 1 139 139 ILE CA C 13 65.563 0.096 . 1 . . . . 123 ILE CA . 7249 1 1528 . 1 1 139 139 ILE CB C 13 37.882 0.052 . 1 . . . . 123 ILE CB . 7249 1 1529 . 1 1 139 139 ILE CG1 C 13 28.376 0.059 . 1 . . . . 123 ILE CG1 . 7249 1 1530 . 1 1 139 139 ILE CG2 C 13 19.505 0.035 . 1 . . . . 123 ILE CG2 . 7249 1 1531 . 1 1 139 139 ILE CD1 C 13 14.086 0.028 . 1 . . . . 123 ILE CD1 . 7249 1 1532 . 1 1 139 139 ILE N N 15 121.595 0.033 . 1 . . . . 123 ILE N . 7249 1 1533 . 1 1 140 140 GLU H H 1 8.205 0.009 . 1 . . . . 124 GLU H . 7249 1 1534 . 1 1 140 140 GLU HA H 1 3.897 0.003 . 1 . . . . 124 GLU HA . 7249 1 1535 . 1 1 140 140 GLU HB2 H 1 2.101 0.027 . 1 . . . . 124 GLU QB . 7249 1 1536 . 1 1 140 140 GLU HB3 H 1 2.101 0.027 . 1 . . . . 124 GLU QB . 7249 1 1537 . 1 1 140 140 GLU C C 13 179.433 0.200 . 1 . . . . 124 GLU C . 7249 1 1538 . 1 1 140 140 GLU CA C 13 59.729 0.055 . 1 . . . . 124 GLU CA . 7249 1 1539 . 1 1 140 140 GLU CB C 13 29.130 0.059 . 1 . . . . 124 GLU CB . 7249 1 1540 . 1 1 140 140 GLU CG C 13 36.017 0.200 . 1 . . . . 124 GLU CG . 7249 1 1541 . 1 1 140 140 GLU N N 15 119.039 0.068 . 1 . . . . 124 GLU N . 7249 1 1542 . 1 1 141 141 ARG H H 1 7.370 0.007 . 1 . . . . 125 ARG H . 7249 1 1543 . 1 1 141 141 ARG HA H 1 4.120 0.011 . 1 . . . . 125 ARG HA . 7249 1 1544 . 1 1 141 141 ARG HB2 H 1 1.943 0.012 . 1 . . . . 125 ARG QB . 7249 1 1545 . 1 1 141 141 ARG HB3 H 1 1.943 0.012 . 1 . . . . 125 ARG QB . 7249 1 1546 . 1 1 141 141 ARG HD2 H 1 3.204 0.015 . 1 . . . . 125 ARG QD . 7249 1 1547 . 1 1 141 141 ARG HD3 H 1 3.204 0.015 . 1 . . . . 125 ARG QD . 7249 1 1548 . 1 1 141 141 ARG C C 13 177.595 0.200 . 1 . . . . 125 ARG C . 7249 1 1549 . 1 1 141 141 ARG CA C 13 58.157 0.051 . 1 . . . . 125 ARG CA . 7249 1 1550 . 1 1 141 141 ARG CB C 13 30.328 0.070 . 1 . . . . 125 ARG CB . 7249 1 1551 . 1 1 141 141 ARG CD C 13 43.385 0.081 . 1 . . . . 125 ARG CD . 7249 1 1552 . 1 1 141 141 ARG N N 15 115.719 0.066 . 1 . . . . 125 ARG N . 7249 1 1553 . 1 1 142 142 LEU H H 1 7.694 0.007 . 1 . . . . 126 LEU H . 7249 1 1554 . 1 1 142 142 LEU HA H 1 4.224 0.010 . 1 . . . . 126 LEU HA . 7249 1 1555 . 1 1 142 142 LEU HB2 H 1 1.949 0.008 . 2 . . . . 126 LEU HB2 . 7249 1 1556 . 1 1 142 142 LEU HB3 H 1 1.445 0.009 . 2 . . . . 126 LEU HB3 . 7249 1 1557 . 1 1 142 142 LEU HG H 1 0.731 0.006 . 1 . . . . 126 LEU HG . 7249 1 1558 . 1 1 142 142 LEU HD11 H 1 0.868 0.034 . 1 . . . . 126 LEU QD . 7249 1 1559 . 1 1 142 142 LEU HD12 H 1 0.868 0.034 . 1 . . . . 126 LEU QD . 7249 1 1560 . 1 1 142 142 LEU HD13 H 1 0.868 0.034 . 1 . . . . 126 LEU QD . 7249 1 1561 . 1 1 142 142 LEU HD21 H 1 0.868 0.034 . 1 . . . . 126 LEU QD . 7249 1 1562 . 1 1 142 142 LEU HD22 H 1 0.868 0.034 . 1 . . . . 126 LEU QD . 7249 1 1563 . 1 1 142 142 LEU HD23 H 1 0.868 0.034 . 1 . . . . 126 LEU QD . 7249 1 1564 . 1 1 142 142 LEU C C 13 177.909 0.200 . 1 . . . . 126 LEU C . 7249 1 1565 . 1 1 142 142 LEU CA C 13 55.717 0.077 . 1 . . . . 126 LEU CA . 7249 1 1566 . 1 1 142 142 LEU CB C 13 41.957 0.048 . 1 . . . . 126 LEU CB . 7249 1 1567 . 1 1 142 142 LEU CG C 13 25.520 0.036 . 1 . . . . 126 LEU CG . 7249 1 1568 . 1 1 142 142 LEU CD1 C 13 21.824 0.037 . 1 . . . . 126 LEU CD . 7249 1 1569 . 1 1 142 142 LEU CD2 C 13 21.824 0.037 . 1 . . . . 126 LEU CD . 7249 1 1570 . 1 1 142 142 LEU N N 15 117.042 0.103 . 1 . . . . 126 LEU N . 7249 1 1571 . 1 1 143 143 LEU H H 1 7.259 0.005 . 1 . . . . 127 LEU H . 7249 1 1572 . 1 1 143 143 LEU HA H 1 4.462 0.005 . 1 . . . . 127 LEU HA . 7249 1 1573 . 1 1 143 143 LEU HB2 H 1 1.725 0.007 . 2 . . . . 127 LEU HB2 . 7249 1 1574 . 1 1 143 143 LEU HB3 H 1 1.578 0.015 . 2 . . . . 127 LEU HB3 . 7249 1 1575 . 1 1 143 143 LEU HG H 1 0.794 0.009 . 1 . . . . 127 LEU HG . 7249 1 1576 . 1 1 143 143 LEU HD11 H 1 0.640 0.009 . 1 . . . . 127 LEU QD . 7249 1 1577 . 1 1 143 143 LEU HD12 H 1 0.640 0.009 . 1 . . . . 127 LEU QD . 7249 1 1578 . 1 1 143 143 LEU HD13 H 1 0.640 0.009 . 1 . . . . 127 LEU QD . 7249 1 1579 . 1 1 143 143 LEU HD21 H 1 0.640 0.009 . 1 . . . . 127 LEU QD . 7249 1 1580 . 1 1 143 143 LEU HD22 H 1 0.640 0.009 . 1 . . . . 127 LEU QD . 7249 1 1581 . 1 1 143 143 LEU HD23 H 1 0.640 0.009 . 1 . . . . 127 LEU QD . 7249 1 1582 . 1 1 143 143 LEU C C 13 176.353 0.200 . 1 . . . . 127 LEU C . 7249 1 1583 . 1 1 143 143 LEU CA C 13 54.761 0.073 . 1 . . . . 127 LEU CA . 7249 1 1584 . 1 1 143 143 LEU CB C 13 42.219 0.051 . 1 . . . . 127 LEU CB . 7249 1 1585 . 1 1 143 143 LEU CG C 13 25.888 0.030 . 1 . . . . 127 LEU CG . 7249 1 1586 . 1 1 143 143 LEU CD1 C 13 22.914 0.094 . 1 . . . . 127 LEU CD . 7249 1 1587 . 1 1 143 143 LEU CD2 C 13 22.914 0.094 . 1 . . . . 127 LEU CD . 7249 1 1588 . 1 1 143 143 LEU N N 15 118.656 0.072 . 1 . . . . 127 LEU N . 7249 1 1589 . 1 1 144 144 VAL H H 1 7.289 0.002 . 1 . . . . 128 VAL H . 7249 1 1590 . 1 1 144 144 VAL HA H 1 4.043 0.004 . 1 . . . . 128 VAL HA . 7249 1 1591 . 1 1 144 144 VAL HB H 1 2.158 0.007 . 1 . . . . 128 VAL HB . 7249 1 1592 . 1 1 144 144 VAL HG11 H 1 0.960 0.005 . 1 . . . . 128 VAL QG . 7249 1 1593 . 1 1 144 144 VAL HG12 H 1 0.960 0.005 . 1 . . . . 128 VAL QG . 7249 1 1594 . 1 1 144 144 VAL HG13 H 1 0.960 0.005 . 1 . . . . 128 VAL QG . 7249 1 1595 . 1 1 144 144 VAL HG21 H 1 0.960 0.005 . 1 . . . . 128 VAL QG . 7249 1 1596 . 1 1 144 144 VAL HG22 H 1 0.960 0.005 . 1 . . . . 128 VAL QG . 7249 1 1597 . 1 1 144 144 VAL HG23 H 1 0.960 0.005 . 1 . . . . 128 VAL QG . 7249 1 1598 . 1 1 144 144 VAL CA C 13 63.836 0.053 . 1 . . . . 128 VAL CA . 7249 1 1599 . 1 1 144 144 VAL CB C 13 32.926 0.056 . 1 . . . . 128 VAL CB . 7249 1 1600 . 1 1 144 144 VAL CG1 C 13 20.162 0.032 . 1 . . . . 128 VAL CG . 7249 1 1601 . 1 1 144 144 VAL CG2 C 13 20.162 0.032 . 1 . . . . 128 VAL CG . 7249 1 1602 . 1 1 144 144 VAL N N 15 122.695 0.038 . 1 . . . . 128 VAL N . 7249 1 stop_ save_