data_25899 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Solution NMR Structure of Antiparallel Myosin-10:GCN4 Tandem Coiled-Coil ; _BMRB_accession_number 25899 _BMRB_flat_file_name bmr25899.str _Entry_type original _Submission_date 2015-11-12 _Accession_date 2015-11-12 _Entry_origination author _NMR_STAR_version 2.1.1 _Experimental_method NMR _Details ; Tandem antiparallel coiled-coil fusion derived from Bos taurus myosin-10 coiled-coil and GCN4-p1. Structure solved by solution NMR. Tertiary structure supported by Small-Angle X-ray scattering (see reference). ; loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Vavra K. C. . 2 Xia Youlin . . 3 Rock Ronald S. . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 2 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 814 "13C chemical shifts" 620 "15N chemical shifts" 148 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2016-06-08 original BMRB . stop_ _Original_release_date 2016-06-08 save_ ############################# # Citation for this entry # ############################# save_RockCC _Saveframe_category entry_citation _Citation_full . _Citation_title ; Competition between Coiled-Coil Structures and the Impact on Myosin-10 Bundle Selection ; _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID ? loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Vavra K. C . 2 Xia Youlin . . 3 Rock Ronald S. . stop_ _Journal_abbreviation 'Biophys. J.' _Journal_name_full 'Biophysical Journal' _Journal_volume 110 _Journal_issue . _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 2517 _Page_last 2527 _Year 2016 _Details . save_ ####################################### # Cited references within the entry # ####################################### save_Myosin-10CC _Saveframe_category citation _Citation_full . _Citation_title ; Antiparallel coiled-coil-mediated dimerization of myosin X. ; _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 23012428 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Lu Qing . . 2 Ye Fei . . 3 Wei Zhiyi . . 4 Wen Zilong . . 5 Zhang Mingjie . . stop_ _Journal_abbreviation 'Proc. Natl. Acad. Sci. U.S.A.' _Journal_name_full . _Journal_volume 109 _Journal_issue 43 _Journal_CSD . _Book_title . _Book_chapter_title . _Book_volume . _Book_series . _Book_publisher . _Book_publisher_city . _Book_ISBN . _Conference_title . _Conference_site . _Conference_state_province . _Conference_country . _Conference_start_date . _Conference_end_date . _Conference_abstract_number . _Thesis_institution . _Thesis_institution_city . _Thesis_institution_country . _Page_first 17388 _Page_last 17393 _Year 2012 _Details . save_ save_GCN4 _Saveframe_category citation _Citation_full . _Citation_title ; X-ray structure of the GCN4 leucine zipper, a two-stranded, parallel coiled coil ; _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 1948029 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 O'Shea Erin K . 2 Klemm Juli D. . 3 Kim Peter S. . 4 Alber Tom . . stop_ _Journal_abbreviation Science _Journal_name_full . _Journal_volume 254 _Journal_issue 5031 _Journal_CSD . _Book_title . _Book_chapter_title . _Book_volume . _Book_series . _Book_publisher . _Book_publisher_city . _Book_ISBN . _Conference_title . _Conference_site . _Conference_state_province . _Conference_country . _Conference_start_date . _Conference_end_date . _Conference_abstract_number . _Thesis_institution . _Thesis_institution_city . _Thesis_institution_country . _Page_first 539 _Page_last 544 _Year 1991 _Details . save_ save_RockConstruct _Saveframe_category citation _Citation_full . _Citation_title ; A myosin motor that selects bundled actin for motility ; _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 18599451 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Nagy Stanislav . . 2 Ricca Benjamin L. . 3 Norstrom Melanie F. . 4 Courson David F. . 5 Brawley Crista M. . 6 Smithback Philip A. . 7 Rock Ronald S. . stop_ _Journal_abbreviation 'Proc. Natl. Acad. Sci. U.S.A.' _Journal_name_full . _Journal_volume 105 _Journal_issue 28 _Journal_CSD . _Book_title . _Book_chapter_title . _Book_volume . _Book_series . _Book_publisher . _Book_publisher_city . _Book_ISBN . _Conference_title . _Conference_site . _Conference_state_province . _Conference_country . _Conference_start_date . _Conference_end_date . _Conference_abstract_number . _Thesis_institution . _Thesis_institution_city . _Thesis_institution_country . _Page_first 9616 _Page_last 9620 _Year 2008 _Details . save_ save_MyoDimer _Saveframe_category citation _Citation_full . _Citation_title ; Spare the rod, spoil the regulation: necessity for a myosin rod ; _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 8990159 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Trybus Kathleen M. . 2 Freyzon Yelena . . 3 Faust Lynn Z. . 4 Sweeney 'H. Lee' . . stop_ _Journal_abbreviation 'Proc. Natl. Acad. Sci. U.S.A.' _Journal_name_full . _Journal_volume 94 _Journal_issue 1 _Journal_CSD . _Book_title . _Book_chapter_title . _Book_volume . _Book_series . _Book_publisher . _Book_publisher_city . _Book_ISBN . _Conference_title . _Conference_site . _Conference_state_province . _Conference_country . _Conference_start_date . _Conference_end_date . _Conference_abstract_number . _Thesis_institution . _Thesis_institution_city . _Thesis_institution_country . _Page_first 48 _Page_last 52 _Year 1997 _Details . save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name RockCC _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label entity_1 $entity entity_2 $entity stop_ _System_molecular_weight . _System_physical_state native _System_oligomer_state ? _System_paramagnetic no _System_thiol_state . _Database_query_date . _Details 'Antiparallel coiled-coil tandem derived from myosin-10 coiled-coil and GCN4-p1' save_ ######################## # Monomeric polymers # ######################## save_entity _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common entity _Molecular_mass 8200.371 _Mol_thiol_state 'not present' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 69 _Mol_residue_sequence ; GSHENKQVEEILRLEKEIED LQRMKERQELSLTEASLQKL QLEDKVEELLSKNYHLENEV ARLKKLVGE ; loop_ _Residue_seq_code _Residue_author_seq_code _Residue_label 1 881 GLY 2 882 SER 3 883 HIS 4 884 GLU 5 885 ASN 6 886 LYS 7 887 GLN 8 888 VAL 9 889 GLU 10 890 GLU 11 891 ILE 12 892 LEU 13 893 ARG 14 894 LEU 15 895 GLU 16 896 LYS 17 897 GLU 18 898 ILE 19 899 GLU 20 900 ASP 21 901 LEU 22 902 GLN 23 903 ARG 24 904 MET 25 905 LYS 26 906 GLU 27 907 ARG 28 908 GLN 29 909 GLU 30 910 LEU 31 911 SER 32 912 LEU 33 913 THR 34 914 GLU 35 915 ALA 36 916 SER 37 917 LEU 38 918 GLN 39 919 LYS 40 920 LEU 41 921 GLN 42 922 LEU 43 923 GLU 44 924 ASP 45 925 LYS 46 926 VAL 47 927 GLU 48 928 GLU 49 929 LEU 50 930 LEU 51 931 SER 52 932 LYS 53 933 ASN 54 934 TYR 55 935 HIS 56 936 LEU 57 937 GLU 58 938 ASN 59 939 GLU 60 940 VAL 61 941 ALA 62 942 ARG 63 943 LEU 64 944 LYS 65 945 LYS 66 946 LEU 67 947 VAL 68 948 GLY 69 949 GLU stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date . save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species _Gene_mnemonic $entity cow 9913 Eukaryota Metazoa Bos taurus MYO10 $entity "baker's yeast" 4932 Eukaryota Fungi Saccharomyces cerevisiae 'GCN4 AAS3 ARG9 YEL009C' stop_ save_ ######################### # Experimental source # ######################### save_experimental_source _Saveframe_category experimental_source loop_ _Mol_label _Production_method _Host_organism_name_common _Genus _Species _Strain _Variant _Vector_name _Details $entity 'recombinant technology' . Escherichia coli BL21 'DE3 pLysS' pET-15b 'Used NdeI as cut site for cloning' stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Saveframe_category sample _Sample_type solution _Details 'Sodium azide added for sample stability' loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $entity 1.1 mM '[U-100% 13C; U-100% 15N]' 'potassium phosphate' 100 mM 'natural abundance' EDTA 1 mM 'natural abundance' 'sodium azide' 0.03 % 'natural abundance' stop_ save_ ############################ # Computer software used # ############################ save_Xplor-NIH _Saveframe_category software _Name Xplor-NIH _Version 2.38 loop_ _Vendor _Address _Electronic_address 'Schwieters, Kuszewski, Tjandra and Clore' . . stop_ loop_ _Task refinement 'structure solution' stop_ _Details . save_ save_CCPN _Saveframe_category software _Name CCPN _Version 2.4.1 loop_ _Vendor _Address _Electronic_address CCPN . . stop_ loop_ _Task 'chemical shift assignment' 'data analysis' 'peak picking' stop_ _Details 'CCPN Analysis Suite' save_ save_NMRPipe _Saveframe_category software _Name NMRPipe _Version . loop_ _Vendor _Address _Electronic_address 'Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax' . . stop_ loop_ _Task processing stop_ _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_8501 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model Avance _Field_strength 850 _Details 'CryoProbe 5mm TCI probe of Z-Gradient' save_ save_6001 _Saveframe_category NMR_spectrometer _Manufacturer Varian _Model INOVA _Field_strength 600 _Details 'Cold HCN probe of Z-Gradient (13C enhanced)' save_ ############################# # NMR applied experiments # ############################# save_2D_1H-15N_HSQC_1 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-15N HSQC' _Sample_label $sample_1 save_ save_3D_HCACO_2 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HCACO' _Sample_label $sample_1 save_ save_3D_HNCO_3 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCO' _Sample_label $sample_1 save_ save_3D_HN(CO)CA_4 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HN(CO)CA' _Sample_label $sample_1 save_ save_3D_HNCA_5 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCA' _Sample_label $sample_1 save_ save_3D_CBCA(CO)NH_6 _Saveframe_category NMR_applied_experiment _Experiment_name '3D CBCA(CO)NH' _Sample_label $sample_1 save_ save_3D_CBCANH_7 _Saveframe_category NMR_applied_experiment _Experiment_name '3D CBCANH' _Sample_label $sample_1 save_ save_2D_HBCBCGCDHD_8 _Saveframe_category NMR_applied_experiment _Experiment_name '2D HBCBCGCDHD' _Sample_label $sample_1 save_ save_3D_H(CCO)NH_9 _Saveframe_category NMR_applied_experiment _Experiment_name '3D H(CCO)NH' _Sample_label $sample_1 save_ save_3D_HCCH-TOCSY_10 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HCCH-TOCSY' _Sample_label $sample_1 save_ save_3D_HCCH-COSY_11 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HCCH-COSY' _Sample_label $sample_1 save_ save_2D_1H-13C_HSQC_aliphatic_12 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-13C HSQC aliphatic' _Sample_label $sample_1 save_ save_2D_1H-13C_HSQC_13 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-13C HSQC' _Sample_label $sample_1 save_ save_2D_1H-15N_HSQC_NH2_only_14 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-15N HSQC NH2 only' _Sample_label $sample_1 save_ save_3D_1H-15N_NOESY_15 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-15N NOESY' _Sample_label $sample_1 save_ save_3D_1H-13C_NOESY_16 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-13C NOESY' _Sample_label $sample_1 save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Saveframe_category sample_conditions _Details . loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units 'ionic strength' 0.6 . M pH 6.5 . pH pressure 1 . atm temperature 35 . K stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference_1 _Saveframe_category chemical_shift_reference _Details . loop_ _Mol_common_name _Atom_type _Atom_isotope_number _Atom_group _Chem_shift_units _Chem_shift_value _Reference_method _Reference_type _External_reference_sample_geometry _External_reference_location _External_reference_axis _Indirect_shift_ratio DSS C 13 'methyl protons' ppm 0.00 na indirect . . . 0.251449530 DSS H 1 'methyl protons' ppm 0.00 internal direct . . . 1.000000000 DSS N 15 'methyl protons' ppm 0.00 na indirect . . . 0.101329118 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_assigned_chem_shift_list_1_1 _Saveframe_category assigned_chemical_shifts _Details . loop_ _Software_label $CCPN stop_ loop_ _Experiment_label '2D 1H-15N HSQC' '3D HCACO' '3D HNCO' '3D HN(CO)CA' '3D HNCA' '3D CBCA(CO)NH' '3D CBCANH' '2D HBCBCGCDHD' '3D H(CCO)NH' '3D HCCH-TOCSY' '3D HCCH-COSY' stop_ loop_ _Sample_label $sample_1 stop_ _Sample_conditions_label $sample_conditions_1 _Chem_shift_reference_set_label $chemical_shift_reference_1 _Mol_system_component_name entity_1 _Text_data_format . _Text_data . loop_ _Atom_shift_assign_ID _Residue_author_seq_code _Residue_seq_code _Residue_label _Atom_name _Atom_type _Chem_shift_value _Chem_shift_value_error _Chem_shift_ambiguity_code 1 883 3 HIS C C 175.5 0.005 1 2 883 3 HIS CA C 56.72 0.036 1 3 883 3 HIS CB C 30.04 0.046 1 4 884 4 GLU H H 8.428 0.003 1 5 884 4 GLU HA H 4.223 0.005 1 6 884 4 GLU HB2 H 1.960 0.005 2 7 884 4 GLU HB3 H 2.027 0.006 2 8 884 4 GLU HG3 H 2.226 0.005 2 9 884 4 GLU C C 176.6 0.006 1 10 884 4 GLU CA C 57.51 0.039 1 11 884 4 GLU CB C 30.05 0.024 1 12 884 4 GLU CG C 36.40 0.048 1 13 884 4 GLU N N 121.3 0.011 1 14 885 5 ASN H H 8.474 0.002 1 15 885 5 ASN HA H 4.690 0.010 1 16 885 5 ASN HB2 H 2.917 0.004 1 17 885 5 ASN HB3 H 2.808 0.003 1 18 885 5 ASN HD21 H 6.956 0.005 1 19 885 5 ASN HD22 H 7.641 0.003 1 20 885 5 ASN C C 175.9 0.003 1 21 885 5 ASN CA C 53.76 0.029 1 22 885 5 ASN CB C 38.73 0.038 1 23 885 5 ASN CG C 176.9 0.012 1 24 885 5 ASN N N 119.5 0.018 1 25 885 5 ASN ND2 N 112.1 0.047 1 26 886 6 LYS H H 8.311 0.002 1 27 886 6 LYS HA H 4.230 0.005 1 28 886 6 LYS HB2 H 1.892 0.005 2 29 886 6 LYS HB3 H 1.836 0.010 2 30 886 6 LYS HG2 H 1.500 0.008 2 31 886 6 LYS HG3 H 1.456 0.012 2 32 886 6 LYS HD3 H 1.690 0.009 2 33 886 6 LYS HE3 H 2.986 0.008 2 34 886 6 LYS C C 177.7 0.003 1 35 886 6 LYS CA C 57.74 0.063 1 36 886 6 LYS CB C 32.56 0.039 1 37 886 6 LYS CG C 24.89 0.043 1 38 886 6 LYS CD C 29.03 0.041 1 39 886 6 LYS CE C 42.18 0.020 1 40 886 6 LYS N N 121.7 0.020 1 41 887 7 GLN H H 8.247 0.003 1 42 887 7 GLN HA H 4.239 0.004 1 43 887 7 GLN HB2 H 1.999 0.005 1 44 887 7 GLN HB3 H 2.159 0.003 1 45 887 7 GLN HG2 H 2.335 0.002 2 46 887 7 GLN HG3 H 2.399 0.003 2 47 887 7 GLN HE21 H 6.759 0.003 1 48 887 7 GLN HE22 H 7.503 0.005 1 49 887 7 GLN C C 177.2 0.004 1 50 887 7 GLN CA C 58.23 0.038 1 51 887 7 GLN CB C 28.91 0.044 1 52 887 7 GLN CG C 34.48 0.027 1 53 887 7 GLN CD C 179.9 0.011 1 54 887 7 GLN N N 119.6 0.019 1 55 887 7 GLN NE2 N 110.8 0.050 1 56 888 8 VAL H H 7.843 0.004 1 57 888 8 VAL HA H 3.782 0.005 1 58 888 8 VAL HB H 2.145 0.004 1 59 888 8 VAL HG1 H 0.981 0.007 2 60 888 8 VAL HG2 H 1.041 0.005 2 61 888 8 VAL C C 177.6 0.007 1 62 888 8 VAL CA C 65.32 0.029 1 63 888 8 VAL CB C 31.99 0.048 1 64 888 8 VAL CG1 C 21.23 0.077 1 65 888 8 VAL CG2 C 21.97 0.052 1 66 888 8 VAL N N 119.1 0.011 1 67 889 9 GLU H H 8.090 0.004 1 68 889 9 GLU HA H 3.978 0.007 1 69 889 9 GLU HB3 H 2.112 0.007 2 70 889 9 GLU HG2 H 2.385 0.007 2 71 889 9 GLU HG3 H 2.311 0.006 2 72 889 9 GLU C C 178.9 0.011 1 73 889 9 GLU CA C 59.64 0.051 1 74 889 9 GLU CB C 29.47 0.060 1 75 889 9 GLU CG C 36.64 0.052 1 76 889 9 GLU N N 120.4 0.023 1 77 890 10 GLU H H 8.133 0.007 1 78 890 10 GLU HA H 4.264 0.005 1 79 890 10 GLU HB2 H 2.131 0.007 2 80 890 10 GLU HB3 H 2.020 0.006 2 81 890 10 GLU HG2 H 2.350 0.003 2 82 890 10 GLU HG3 H 2.302 0.003 2 83 890 10 GLU C C 178.2 0.012 1 84 890 10 GLU CA C 59.12 0.045 1 85 890 10 GLU CB C 29.67 0.055 1 86 890 10 GLU CG C 35.69 0.011 1 87 890 10 GLU N N 120.7 0.053 1 88 891 11 ILE H H 7.799 0.003 1 89 891 11 ILE HA H 3.551 0.004 1 90 891 11 ILE HB H 1.932 0.002 1 91 891 11 ILE HG13 H 1.732 0.002 1 92 891 11 ILE HG2 H 0.868 0.005 1 93 891 11 ILE HD1 H 0.870 0.002 1 94 891 11 ILE C C 177.4 0.011 1 95 891 11 ILE CA C 65.82 0.055 1 96 891 11 ILE CB C 37.90 0.073 1 97 891 11 ILE CG1 C 30.61 0.048 1 98 891 11 ILE CG2 C 17.01 0.030 1 99 891 11 ILE CD1 C 13.12 0.030 1 100 891 11 ILE N N 119.4 0.022 1 101 892 12 LEU H H 7.814 0.004 1 102 892 12 LEU HA H 4.108 0.005 1 103 892 12 LEU HB2 H 1.825 0.003 1 104 892 12 LEU HB3 H 1.549 0.006 1 105 892 12 LEU HG H 1.776 0.001 1 106 892 12 LEU HD1 H 0.878 0.004 2 107 892 12 LEU HD2 H 0.898 0.005 2 108 892 12 LEU C C 180.1 0.004 1 109 892 12 LEU CA C 58.07 0.046 1 110 892 12 LEU CB C 41.69 0.036 1 111 892 12 LEU CG C 26.82 0.000 1 112 892 12 LEU CD1 C 23.22 0.000 1 113 892 12 LEU CD2 C 25.36 0.067 1 114 892 12 LEU N N 118.4 0.058 1 115 893 13 ARG H H 7.918 0.005 1 116 893 13 ARG HA H 4.029 0.005 1 117 893 13 ARG HB2 H 2.087 0.004 2 118 893 13 ARG HB3 H 1.940 0.006 2 119 893 13 ARG HG2 H 1.744 0.008 1 120 893 13 ARG HG3 H 1.578 0.005 1 121 893 13 ARG HD2 H 3.315 0.004 1 122 893 13 ARG HD3 H 3.144 0.005 1 123 893 13 ARG C C 179.5 0.017 1 124 893 13 ARG CA C 59.79 0.040 1 125 893 13 ARG CB C 30.14 0.039 1 126 893 13 ARG CG C 27.62 0.048 1 127 893 13 ARG CD C 43.27 0.039 1 128 893 13 ARG N N 119.9 0.032 1 129 894 14 LEU H H 8.236 0.004 1 130 894 14 LEU HA H 4.075 0.012 1 131 894 14 LEU HB2 H 2.108 0.004 1 132 894 14 LEU HB3 H 1.341 0.004 1 133 894 14 LEU HG H 0.981 0.015 1 134 894 14 LEU C C 179.2 0.016 1 135 894 14 LEU CA C 58.13 0.072 1 136 894 14 LEU CB C 42.51 0.061 1 137 894 14 LEU CG C 27.79 0.023 1 138 894 14 LEU CD1 C 23.03 0.000 1 139 894 14 LEU N N 121.3 0.027 1 140 895 15 GLU H H 8.780 0.003 1 141 895 15 GLU HA H 3.962 0.005 1 142 895 15 GLU HB2 H 2.252 0.006 1 143 895 15 GLU HB3 H 1.988 0.002 1 144 895 15 GLU HG2 H 2.676 0.005 1 145 895 15 GLU HG3 H 2.175 0.006 1 146 895 15 GLU C C 180.1 0.012 1 147 895 15 GLU CA C 60.27 0.039 1 148 895 15 GLU CB C 29.50 0.018 1 149 895 15 GLU CG C 37.42 0.028 1 150 895 15 GLU N N 118.2 0.019 1 151 896 16 LYS H H 7.884 0.005 1 152 896 16 LYS HB3 H 2.077 0.002 5 153 896 16 LYS HD3 H 1.686 0.001 5 154 896 16 LYS C C 178.3 0.016 1 155 896 16 LYS CA C 58.98 0.063 1 156 896 16 LYS CB C 31.84 0.047 1 157 896 16 LYS CG C 24.98 0.000 1 158 896 16 LYS CD C 28.69 0.018 1 159 896 16 LYS N N 120.6 0.023 1 160 897 17 GLU H H 7.913 0.004 1 161 897 17 GLU HA H 4.155 0.004 1 162 897 17 GLU HB3 H 2.253 0.001 2 163 897 17 GLU HG2 H 2.463 0.005 1 164 897 17 GLU HG3 H 2.318 0.006 1 165 897 17 GLU C C 179.8 0.048 1 166 897 17 GLU CA C 59.87 0.040 1 167 897 17 GLU CB C 29.23 0.029 1 168 897 17 GLU CG C 35.90 0.057 1 169 897 17 GLU N N 121.1 0.025 1 170 898 18 ILE H H 8.274 0.003 1 171 898 18 ILE HA H 3.535 0.002 1 172 898 18 ILE HB H 1.930 0.004 1 173 898 18 ILE HG13 H 1.868 0.001 1 174 898 18 ILE HG2 H 0.877 0.008 1 175 898 18 ILE HD1 H 1.005 0.003 1 176 898 18 ILE C C 177.3 0.018 1 177 898 18 ILE CA C 66.30 0.026 1 178 898 18 ILE CB C 38.13 0.029 1 179 898 18 ILE CG1 C 29.08 0.000 1 180 898 18 ILE CG2 C 16.96 0.019 1 181 898 18 ILE N N 120.0 0.036 1 182 899 19 GLU H H 7.891 0.003 1 183 899 19 GLU HA H 4.024 0.004 1 184 899 19 GLU HB2 H 2.249 0.013 2 185 899 19 GLU HB3 H 2.202 0.012 2 186 899 19 GLU HG2 H 2.510 0.002 1 187 899 19 GLU HG3 H 2.438 0.008 1 188 899 19 GLU C C 179.4 0.012 1 189 899 19 GLU CA C 59.89 0.033 1 190 899 19 GLU CB C 29.53 0.071 1 191 899 19 GLU CG C 36.43 0.036 1 192 899 19 GLU N N 120.4 0.042 1 193 900 20 ASP H H 8.231 0.004 1 194 900 20 ASP HA H 4.464 0.005 1 195 900 20 ASP HB2 H 2.873 0.004 1 196 900 20 ASP HB3 H 2.694 0.008 1 197 900 20 ASP C C 179.8 0.002 1 198 900 20 ASP CA C 57.71 0.054 1 199 900 20 ASP CB C 40.56 0.028 1 200 900 20 ASP N N 119.6 0.021 1 201 901 21 LEU H H 8.470 0.005 1 202 901 21 LEU HA H 4.122 0.004 1 203 901 21 LEU HB2 H 2.190 0.009 1 204 901 21 LEU HB3 H 1.381 0.005 1 205 901 21 LEU HG H 1.027 0.005 1 206 901 21 LEU HD1 H 0.915 0.006 2 207 901 21 LEU HD2 H 0.946 0.000 2 208 901 21 LEU C C 179.9 0.011 1 209 901 21 LEU CA C 58.37 0.037 1 210 901 21 LEU CB C 43.75 0.016 1 211 901 21 LEU CG C 27.14 0.053 1 212 901 21 LEU CD1 C 23.61 0.039 1 213 901 21 LEU N N 122.2 0.040 1 214 902 22 GLN H H 9.079 0.005 1 215 902 22 GLN HA H 4.093 0.003 1 216 902 22 GLN HB2 H 2.102 0.005 1 217 902 22 GLN HB3 H 2.351 0.003 1 218 902 22 GLN HG2 H 2.416 0.006 1 219 902 22 GLN HG3 H 2.597 0.003 1 220 902 22 GLN HE21 H 7.232 0.004 1 221 902 22 GLN HE22 H 6.718 0.003 1 222 902 22 GLN C C 179.1 0.006 1 223 902 22 GLN CA C 59.42 0.036 1 224 902 22 GLN CB C 27.80 0.049 1 225 902 22 GLN CG C 33.98 0.032 1 226 902 22 GLN CD C 179.6 0.017 1 227 902 22 GLN N N 121.0 0.023 1 228 902 22 GLN NE2 N 109.9 0.033 1 229 903 23 ARG H H 8.107 0.003 1 230 903 23 ARG HA H 4.200 0.007 1 231 903 23 ARG HB2 H 1.965 0.007 1 232 903 23 ARG HB3 H 2.105 0.002 1 233 903 23 ARG HG2 H 1.773 0.003 1 234 903 23 ARG HG3 H 1.883 0.004 1 235 903 23 ARG HD2 H 3.298 0.003 2 236 903 23 ARG HD3 H 3.278 0.005 2 237 903 23 ARG C C 179.8 0.001 1 238 903 23 ARG CA C 59.44 0.034 1 239 903 23 ARG CB C 30.28 0.017 1 240 903 23 ARG CG C 27.62 0.041 1 241 903 23 ARG CD C 43.47 0.018 1 242 903 23 ARG N N 119.9 0.036 1 243 904 24 MET H H 8.005 0.004 1 244 904 24 MET HA H 4.218 0.001 1 245 904 24 MET HB2 H 2.619 0.002 2 246 904 24 MET HB3 H 2.686 0.002 2 247 904 24 MET HG2 H 2.149 0.001 1 248 904 24 MET HG3 H 2.268 0.006 1 249 904 24 MET C C 177.8 0.004 1 250 904 24 MET CA C 58.59 0.033 1 251 904 24 MET CB C 32.28 0.024 1 252 904 24 MET CG C 32.00 0.000 1 253 904 24 MET N N 119.5 0.052 1 254 905 25 LYS H H 8.465 0.004 1 255 905 25 LYS HA H 4.369 0.006 1 256 905 25 LYS HB2 H 1.948 0.004 1 257 905 25 LYS HB3 H 2.116 0.004 1 258 905 25 LYS HG2 H 1.409 0.002 2 259 905 25 LYS HG3 H 1.439 0.004 2 260 905 25 LYS HD2 H 1.635 0.001 1 261 905 25 LYS HD3 H 1.727 0.004 1 262 905 25 LYS HE2 H 2.982 0.001 2 263 905 25 LYS HE3 H 3.041 0.001 2 264 905 25 LYS C C 179.3 0.003 1 265 905 25 LYS CA C 59.29 0.045 1 266 905 25 LYS CB C 32.42 0.038 1 267 905 25 LYS CG C 24.57 0.048 1 268 905 25 LYS CD C 30.16 0.019 1 269 905 25 LYS CE C 42.03 0.054 1 270 905 25 LYS N N 121.9 0.040 1 271 906 26 GLU H H 8.013 0.002 1 272 906 26 GLU HA H 4.152 0.009 1 273 906 26 GLU HB2 H 2.219 0.006 1 274 906 26 GLU HB3 H 2.047 0.007 1 275 906 26 GLU HG2 H 2.321 0.003 1 276 906 26 GLU HG3 H 2.504 0.009 1 277 906 26 GLU C C 179.4 0.036 1 278 906 26 GLU CA C 59.36 0.054 1 279 906 26 GLU CB C 29.62 0.042 1 280 906 26 GLU CG C 36.35 0.064 1 281 906 26 GLU N N 119.2 0.020 1 282 907 27 ARG H H 7.946 0.003 1 283 907 27 ARG HA H 4.161 0.002 1 284 907 27 ARG HB3 H 2.061 0.003 2 285 907 27 ARG HG2 H 1.868 0.003 1 286 907 27 ARG HG3 H 1.759 0.004 1 287 907 27 ARG HD2 H 3.274 0.000 2 288 907 27 ARG HD3 H 3.243 0.005 2 289 907 27 ARG C C 179.8 0.011 1 290 907 27 ARG CA C 59.47 0.033 1 291 907 27 ARG CB C 30.06 0.037 1 292 907 27 ARG CG C 27.32 0.025 1 293 907 27 ARG CD C 43.58 0.029 1 294 907 27 ARG N N 120.0 0.014 1 295 908 28 GLN H H 8.639 0.003 1 296 908 28 GLN HA H 4.269 0.002 1 297 908 28 GLN HB2 H 2.139 0.004 2 298 908 28 GLN HB3 H 2.023 0.001 2 299 908 28 GLN HG2 H 2.341 0.002 2 300 908 28 GLN HG3 H 2.307 0.008 2 301 908 28 GLN HE21 H 6.764 0.003 1 302 908 28 GLN HE22 H 7.672 0.002 1 303 908 28 GLN C C 178.4 0.003 1 304 908 28 GLN CA C 59.41 0.010 1 305 908 28 GLN CB C 29.46 0.049 1 306 908 28 GLN CG C 35.26 0.017 1 307 908 28 GLN CD C 179.0 0.012 1 308 908 28 GLN N N 119.3 0.022 1 309 908 28 GLN NE2 N 109.9 0.046 1 310 909 29 GLU H H 8.346 0.003 1 311 909 29 GLU HA H 4.020 0.007 1 312 909 29 GLU HB3 H 2.124 0.006 2 313 909 29 GLU HG2 H 2.275 0.003 1 314 909 29 GLU HG3 H 2.449 0.004 1 315 909 29 GLU C C 179.7 0.018 1 316 909 29 GLU CA C 59.91 0.027 1 317 909 29 GLU CB C 29.39 0.042 1 318 909 29 GLU CG C 36.63 0.038 1 319 909 29 GLU N N 120.3 0.012 1 320 910 30 LEU H H 7.825 0.003 1 321 910 30 LEU HA H 4.231 0.007 1 322 910 30 LEU HB2 H 1.792 0.006 1 323 910 30 LEU HB3 H 1.907 0.007 1 324 910 30 LEU HG H 1.807 0.015 1 325 910 30 LEU HD1 H 0.941 0.006 2 326 910 30 LEU HD2 H 0.975 0.005 2 327 910 30 LEU C C 180.1 0.004 1 328 910 30 LEU CA C 58.37 0.037 1 329 910 30 LEU CB C 41.49 0.047 1 330 910 30 LEU CG C 27.01 0.021 1 331 910 30 LEU CD1 C 23.91 0.075 1 332 910 30 LEU CD2 C 24.41 0.012 1 333 910 30 LEU N N 121.1 0.028 1 334 911 31 SER H H 8.142 0.004 1 335 911 31 SER HA H 4.322 0.005 1 336 911 31 SER HB3 H 3.993 0.006 2 337 911 31 SER C C 177.3 0.000 1 338 911 31 SER CA C 62.34 0.062 1 339 911 31 SER CB C 62.99 0.061 1 340 911 31 SER N N 116.5 0.010 1 341 912 32 LEU H H 8.651 0.003 1 342 912 32 LEU HA H 4.213 0.007 1 343 912 32 LEU HB3 H 1.685 0.005 2 344 912 32 LEU HG H 1.653 0.004 1 345 912 32 LEU HD1 H 0.894 0.004 2 346 912 32 LEU C C 179.5 0.017 1 347 912 32 LEU CA C 58.39 0.061 1 348 912 32 LEU CB C 41.62 0.046 1 349 912 32 LEU CG C 27.54 0.065 1 350 912 32 LEU CD1 C 24.23 0.053 1 351 912 32 LEU N N 125.3 0.007 1 352 913 33 THR H H 8.419 0.004 1 353 913 33 THR HA H 3.983 0.003 1 354 913 33 THR HB H 4.434 0.003 1 355 913 33 THR HG2 H 1.296 0.004 1 356 913 33 THR C C 176.8 0.008 1 357 913 33 THR CA C 67.13 0.026 1 358 913 33 THR CB C 68.68 0.033 1 359 913 33 THR CG2 C 21.72 0.029 1 360 913 33 THR N N 120.0 0.047 1 361 914 34 GLU H H 8.189 0.003 1 362 914 34 GLU HA H 4.058 0.001 1 363 914 34 GLU HB3 H 2.100 0.004 2 364 914 34 GLU HG2 H 2.405 0.004 1 365 914 34 GLU HG3 H 2.218 0.009 1 366 914 34 GLU C C 178.8 0.004 1 367 914 34 GLU CA C 59.82 0.037 1 368 914 34 GLU CB C 29.60 0.011 1 369 914 34 GLU CG C 36.40 0.047 1 370 914 34 GLU N N 122.2 0.021 1 371 915 35 ALA H H 8.315 0.005 1 372 915 35 ALA HA H 4.217 0.003 1 373 915 35 ALA HB H 1.501 0.005 1 374 915 35 ALA C C 180.7 0.003 1 375 915 35 ALA CA C 55.20 0.044 1 376 915 35 ALA CB C 17.90 0.047 1 377 915 35 ALA N N 121.5 0.040 1 378 916 36 SER H H 8.238 0.002 1 379 916 36 SER HA H 4.233 0.003 1 380 916 36 SER HB2 H 4.058 0.007 1 381 916 36 SER HB3 H 4.131 0.001 1 382 916 36 SER C C 176.7 0.008 1 383 916 36 SER CA C 62.08 0.056 1 384 916 36 SER CB C 62.71 0.056 1 385 916 36 SER N N 115.0 0.011 1 386 917 37 LEU H H 7.880 0.004 1 387 917 37 LEU HA H 4.113 0.004 1 388 917 37 LEU HB2 H 1.824 0.001 2 389 917 37 LEU HB3 H 1.899 0.008 2 390 917 37 LEU HG H 1.797 0.012 1 391 917 37 LEU HD1 H 0.980 0.005 2 392 917 37 LEU HD2 H 0.906 0.005 2 393 917 37 LEU C C 180.0 0.002 1 394 917 37 LEU CA C 58.18 0.047 1 395 917 37 LEU CB C 41.64 0.053 1 396 917 37 LEU CG C 26.97 0.041 1 397 917 37 LEU CD1 C 24.74 0.043 1 398 917 37 LEU CD2 C 23.56 0.046 1 399 917 37 LEU N N 123.5 0.018 1 400 918 38 GLN H H 8.201 0.002 1 401 918 38 GLN HA H 4.100 0.005 1 402 918 38 GLN HB2 H 2.013 0.003 1 403 918 38 GLN HB3 H 2.244 0.006 1 404 918 38 GLN HG2 H 2.431 0.008 1 405 918 38 GLN HG3 H 2.616 0.006 1 406 918 38 GLN HE21 H 6.786 0.006 1 407 918 38 GLN HE22 H 7.456 0.002 1 408 918 38 GLN C C 178.9 0.005 1 409 918 38 GLN CA C 58.91 0.031 1 410 918 38 GLN CB C 28.29 0.054 1 411 918 38 GLN CG C 34.05 0.051 1 412 918 38 GLN CD C 179.6 0.013 1 413 918 38 GLN N N 119.0 0.030 1 414 918 38 GLN NE2 N 110.5 0.037 1 415 919 39 LYS H H 8.191 0.002 1 416 919 39 LYS HA H 3.883 0.004 1 417 919 39 LYS HB2 H 2.041 0.004 2 418 919 39 LYS HB3 H 2.001 0.006 2 419 919 39 LYS HG2 H 1.443 0.003 1 420 919 39 LYS HG3 H 1.324 0.003 1 421 919 39 LYS HD2 H 1.717 0.006 1 422 919 39 LYS HD3 H 1.686 0.000 9 423 919 39 LYS HE2 H 2.976 0.003 2 424 919 39 LYS HE3 H 2.942 0.003 2 425 919 39 LYS C C 177.6 0.003 1 426 919 39 LYS CA C 60.60 0.031 1 427 919 39 LYS CB C 32.38 0.027 1 428 919 39 LYS CG C 25.30 0.046 1 429 919 39 LYS CD C 29.70 0.025 1 430 919 39 LYS CE C 42.15 0.012 1 431 919 39 LYS N N 120.3 0.023 1 432 920 40 LEU H H 7.738 0.003 1 433 920 40 LEU HA H 4.183 0.004 1 434 920 40 LEU HB2 H 1.876 0.012 1 435 920 40 LEU HB3 H 1.751 0.005 1 436 920 40 LEU HG H 1.655 0.000 1 437 920 40 LEU HD1 H 0.925 0.005 2 438 920 40 LEU HD2 H 0.899 0.000 2 439 920 40 LEU C C 179.5 0.004 1 440 920 40 LEU CA C 58.27 0.026 1 441 920 40 LEU CB C 41.85 0.038 1 442 920 40 LEU CG C 26.90 0.004 1 443 920 40 LEU CD1 C 23.84 0.015 1 444 920 40 LEU CD2 C 25.08 0.000 1 445 920 40 LEU N N 119.1 0.019 1 446 921 41 GLN H H 7.828 0.004 1 447 921 41 GLN HA H 4.170 0.005 1 448 921 41 GLN HB2 H 2.268 0.004 1 449 921 41 GLN HB3 H 2.157 0.004 1 450 921 41 GLN HG2 H 2.440 0.003 1 451 921 41 GLN HG3 H 2.644 0.005 1 452 921 41 GLN HE21 H 7.368 0.003 1 453 921 41 GLN HE22 H 6.796 0.002 1 454 921 41 GLN C C 180.0 0.004 1 455 921 41 GLN CA C 59.10 0.062 1 456 921 41 GLN CB C 28.47 0.037 1 457 921 41 GLN CG C 34.26 0.053 1 458 921 41 GLN CD C 180.2 0.010 1 459 921 41 GLN N N 117.5 0.032 1 460 921 41 GLN NE2 N 110.1 0.031 1 461 922 42 LEU H H 8.078 0.005 1 462 922 42 LEU HA H 3.964 0.004 1 463 922 42 LEU HB2 H 1.340 0.006 1 464 922 42 LEU HB3 H 2.135 0.008 1 465 922 42 LEU HG H 1.935 0.009 1 466 922 42 LEU HD1 H 0.926 0.008 2 467 922 42 LEU C C 178.7 0.006 1 468 922 42 LEU CA C 58.16 0.049 1 469 922 42 LEU CB C 43.59 0.067 1 470 922 42 LEU CG C 27.00 0.006 1 471 922 42 LEU CD1 C 23.60 0.041 1 472 922 42 LEU N N 121.5 0.032 1 473 923 43 GLU H H 8.738 0.005 1 474 923 43 GLU HA H 3.896 0.006 1 475 923 43 GLU HB2 H 2.322 0.011 1 476 923 43 GLU HB3 H 2.053 0.005 1 477 923 43 GLU HG2 H 2.219 0.003 1 478 923 43 GLU HG3 H 2.631 0.004 1 479 923 43 GLU C C 180.1 0.006 1 480 923 43 GLU CA C 60.44 0.042 1 481 923 43 GLU CB C 29.27 0.052 1 482 923 43 GLU CG C 37.99 0.039 1 483 923 43 GLU N N 120.4 0.023 1 484 924 44 ASP H H 8.102 0.004 1 485 924 44 ASP HA H 4.470 0.005 1 486 924 44 ASP HB2 H 2.873 0.005 1 487 924 44 ASP HB3 H 2.713 0.003 1 488 924 44 ASP C C 178.8 0.011 1 489 924 44 ASP CA C 57.49 0.067 1 490 924 44 ASP CB C 40.49 0.033 1 491 924 44 ASP N N 120.1 0.050 1 492 925 45 LYS H H 7.825 0.002 1 493 925 45 LYS HA H 4.220 0.004 1 494 925 45 LYS HB2 H 2.146 0.001 1 495 925 45 LYS HB3 H 2.023 0.002 1 496 925 45 LYS HG2 H 1.597 0.004 2 497 925 45 LYS HG3 H 1.581 0.003 2 498 925 45 LYS HD2 H 1.421 0.000 9 499 925 45 LYS HD3 H 1.770 0.006 1 500 925 45 LYS HE2 H 3.006 0.000 1 501 925 45 LYS HE3 H 2.897 0.001 1 502 925 45 LYS C C 178.7 0.010 1 503 925 45 LYS CA C 58.62 0.053 1 504 925 45 LYS CB C 31.55 0.045 1 505 925 45 LYS CG C 24.71 0.025 1 506 925 45 LYS CD C 28.54 0.010 1 507 925 45 LYS CE C 40.76 0.016 1 508 925 45 LYS N N 122.5 0.018 1 509 926 46 VAL H H 8.578 0.003 1 510 926 46 VAL HA H 3.436 0.005 1 511 926 46 VAL HB H 2.279 0.005 1 512 926 46 VAL HG1 H 0.905 0.003 2 513 926 46 VAL HG2 H 1.057 0.006 2 514 926 46 VAL C C 177.3 0.005 1 515 926 46 VAL CA C 67.82 0.025 1 516 926 46 VAL CB C 31.70 0.048 1 517 926 46 VAL CG1 C 21.35 0.019 1 518 926 46 VAL CG2 C 25.01 0.047 1 519 926 46 VAL N N 120.0 0.010 1 520 927 47 GLU H H 7.848 0.004 1 521 927 47 GLU HA H 4.111 0.002 1 522 927 47 GLU HB2 H 2.252 0.001 1 523 927 47 GLU HB3 H 2.183 0.007 1 524 927 47 GLU HG2 H 2.425 0.008 1 525 927 47 GLU HG3 H 2.352 0.006 1 526 927 47 GLU C C 179.6 0.002 1 527 927 47 GLU CA C 59.94 0.044 1 528 927 47 GLU CB C 29.27 0.072 1 529 927 47 GLU CG C 36.05 0.056 1 530 927 47 GLU N N 118.0 0.027 1 531 928 48 GLU H H 8.139 0.004 1 532 928 48 GLU HA H 4.112 0.003 1 533 928 48 GLU HB2 H 2.274 0.005 1 534 928 48 GLU HB3 H 2.087 0.002 1 535 928 48 GLU HG2 H 2.317 0.003 1 536 928 48 GLU HG3 H 2.435 0.006 1 537 928 48 GLU C C 179.7 0.003 1 538 928 48 GLU CA C 59.49 0.062 1 539 928 48 GLU CB C 29.82 0.055 1 540 928 48 GLU CG C 36.20 0.067 1 541 928 48 GLU N N 120.9 0.027 1 542 929 49 LEU H H 8.557 0.005 1 543 929 49 LEU HA H 4.025 0.007 1 544 929 49 LEU HB2 H 1.314 0.017 1 545 929 49 LEU HB3 H 2.100 0.011 1 546 929 49 LEU HD1 H 0.877 0.006 2 547 929 49 LEU C C 179.6 0.017 1 548 929 49 LEU CA C 58.06 0.059 1 549 929 49 LEU CB C 43.36 0.043 1 550 929 49 LEU CG C 27.95 0.000 1 551 929 49 LEU CD1 C 23.13 0.036 1 552 929 49 LEU CD2 C 27.16 0.000 1 553 929 49 LEU N N 120.6 0.019 1 554 930 50 LEU H H 9.107 0.003 1 555 930 50 LEU HA H 4.067 0.006 1 556 930 50 LEU HB2 H 1.482 0.002 1 557 930 50 LEU HB3 H 1.952 0.005 1 558 930 50 LEU HG H 0.860 0.002 1 559 930 50 LEU HD1 H 0.917 0.001 2 560 930 50 LEU C C 180.0 0.003 1 561 930 50 LEU CA C 58.29 0.053 1 562 930 50 LEU CB C 42.09 0.030 1 563 930 50 LEU CG C 25.98 0.047 1 564 930 50 LEU CD1 C 23.90 0.008 1 565 930 50 LEU CD2 C 25.15 0.000 1 566 930 50 LEU N N 122.0 0.024 1 567 931 51 SER H H 7.883 0.003 1 568 931 51 SER HA H 4.346 0.004 1 569 931 51 SER HB3 H 4.099 0.005 2 570 931 51 SER C C 177.7 0.013 1 571 931 51 SER CA C 61.79 0.045 1 572 931 51 SER CB C 62.83 0.043 1 573 931 51 SER N N 114.8 0.015 1 574 932 52 LYS H H 8.202 0.003 1 575 932 52 LYS HA H 4.220 0.005 1 576 932 52 LYS HB2 H 1.966 0.003 1 577 932 52 LYS HB3 H 1.887 0.003 1 578 932 52 LYS HG2 H 1.499 0.006 1 579 932 52 LYS HG3 H 1.708 0.007 1 580 932 52 LYS HD2 H 1.620 0.001 1 581 932 52 LYS HD3 H 1.799 0.000 1 582 932 52 LYS HE2 H 2.869 0.001 2 583 932 52 LYS HE3 H 2.983 0.005 2 584 932 52 LYS C C 178.8 0.003 1 585 932 52 LYS CA C 59.78 0.058 1 586 932 52 LYS CB C 32.78 0.031 1 587 932 52 LYS CG C 25.58 0.058 1 588 932 52 LYS CD C 29.31 0.051 1 589 932 52 LYS CE C 42.08 0.034 1 590 932 52 LYS N N 122.2 0.010 1 591 933 53 ASN H H 8.777 0.004 1 592 933 53 ASN HA H 4.401 0.003 1 593 933 53 ASN HB2 H 3.272 0.003 1 594 933 53 ASN HB3 H 2.768 0.003 1 595 933 53 ASN HD21 H 6.602 0.001 1 596 933 53 ASN HD22 H 7.548 0.001 1 597 933 53 ASN C C 176.8 0.009 1 598 933 53 ASN CA C 57.33 0.044 1 599 933 53 ASN CB C 39.01 0.048 1 600 933 53 ASN N N 119.5 0.038 1 601 933 53 ASN ND2 N 105.0 0.029 1 602 934 54 TYR H H 8.236 0.003 1 603 934 54 TYR HA H 4.372 0.003 1 604 934 54 TYR HB2 H 3.266 0.006 1 605 934 54 TYR HB3 H 3.188 0.008 1 606 934 54 TYR HD1 H 7.052 0.005 3 607 934 54 TYR HD2 H 7.052 0.005 3 608 934 54 TYR HE1 H 6.809 0.003 3 609 934 54 TYR HE2 H 6.809 0.003 3 610 934 54 TYR C C 178.2 0.002 1 611 934 54 TYR CA C 60.84 0.036 1 612 934 54 TYR CB C 37.93 0.033 1 613 934 54 TYR CD1 C 133.4 0.000 3 614 934 54 TYR CD2 C 133.4 0.000 3 615 934 54 TYR CE1 C 118.2 0.038 3 616 934 54 TYR CE2 C 118.2 0.038 3 617 934 54 TYR N N 120.3 0.029 1 618 935 55 HIS H H 7.817 0.003 1 619 935 55 HIS HA H 4.353 0.004 1 620 935 55 HIS HB2 H 3.357 0.004 2 621 935 55 HIS HB3 H 3.325 0.002 2 622 935 55 HIS HD2 H 7.103 0.000 1 623 935 55 HIS HE1 H 8.013 0.004 1 624 935 55 HIS C C 178.6 0.012 1 625 935 55 HIS CA C 59.91 0.041 1 626 935 55 HIS CB C 29.79 0.024 1 627 935 55 HIS CD2 C 120.3 0.000 1 628 935 55 HIS CE1 C 138.2 0.006 1 629 935 55 HIS N N 118.0 0.020 1 630 936 56 LEU H H 8.522 0.003 1 631 936 56 LEU HA H 4.123 0.008 1 632 936 56 LEU HB2 H 2.170 0.005 1 633 936 56 LEU HB3 H 1.379 0.006 1 634 936 56 LEU HG H 1.025 0.001 1 635 936 56 LEU HD1 H 0.896 0.009 2 636 936 56 LEU C C 178.9 0.007 1 637 936 56 LEU CA C 58.22 0.041 1 638 936 56 LEU CB C 43.64 0.040 1 639 936 56 LEU CG C 26.82 0.000 1 640 936 56 LEU CD1 C 23.37 0.042 1 641 936 56 LEU N N 120.5 0.030 1 642 937 57 GLU H H 8.856 0.002 1 643 937 57 GLU HA H 3.911 0.004 1 644 937 57 GLU HB2 H 2.246 0.001 1 645 937 57 GLU HB3 H 1.996 0.005 1 646 937 57 GLU HG2 H 2.248 0.002 1 647 937 57 GLU HG3 H 2.480 0.004 1 648 937 57 GLU C C 180.3 0.013 1 649 937 57 GLU CA C 60.28 0.048 1 650 937 57 GLU CB C 29.27 0.031 1 651 937 57 GLU CG C 36.95 0.035 1 652 937 57 GLU N N 119.6 0.007 1 653 938 58 ASN H H 7.735 0.003 1 654 938 58 ASN HA H 4.434 0.004 1 655 938 58 ASN HB2 H 2.747 0.004 1 656 938 58 ASN HB3 H 2.874 0.007 1 657 938 58 ASN HD21 H 6.759 0.000 1 658 938 58 ASN HD22 H 7.382 0.003 1 659 938 58 ASN C C 177.9 0.009 1 660 938 58 ASN CA C 56.10 0.031 1 661 938 58 ASN CB C 38.01 0.045 1 662 938 58 ASN CG C 175.9 0.000 1 663 938 58 ASN N N 118.9 0.022 1 664 938 58 ASN ND2 N 110.9 0.018 1 665 939 59 GLU H H 8.098 0.004 1 666 939 59 GLU HA H 4.442 0.009 1 667 939 59 GLU HB2 H 2.144 0.007 1 668 939 59 GLU HB3 H 1.986 0.004 1 669 939 59 GLU HG3 H 2.114 0.011 2 670 939 59 GLU C C 178.4 0.009 1 671 939 59 GLU CA C 58.71 0.056 1 672 939 59 GLU CB C 30.13 0.046 1 673 939 59 GLU CG C 35.97 0.050 1 674 939 59 GLU N N 123.8 0.015 1 675 940 60 VAL H H 8.669 0.003 1 676 940 60 VAL HA H 3.400 0.005 1 677 940 60 VAL HB H 2.122 0.002 1 678 940 60 VAL HG1 H 1.030 0.002 2 679 940 60 VAL HG2 H 0.891 0.002 2 680 940 60 VAL C C 177.4 0.002 1 681 940 60 VAL CA C 67.72 0.021 1 682 940 60 VAL CB C 31.63 0.036 1 683 940 60 VAL CG1 C 25.43 0.025 1 684 940 60 VAL CG2 C 21.67 0.057 1 685 940 60 VAL N N 120.0 0.026 1 686 941 61 ALA H H 7.725 0.002 1 687 941 61 ALA HA H 4.014 0.003 1 688 941 61 ALA HB H 1.496 0.004 1 689 941 61 ALA C C 180.5 0.012 1 690 941 61 ALA CA C 55.40 0.026 1 691 941 61 ALA CB C 18.03 0.019 1 692 941 61 ALA N N 119.8 0.015 1 693 942 62 ARG H H 7.904 0.008 1 694 942 62 ARG HA H 3.965 0.005 1 695 942 62 ARG HB2 H 2.134 0.008 1 696 942 62 ARG HB3 H 1.884 0.007 1 697 942 62 ARG HG2 H 1.355 0.003 1 698 942 62 ARG HG3 H 1.645 0.007 1 699 942 62 ARG HD2 H 3.013 0.003 1 700 942 62 ARG HD3 H 3.417 0.006 1 701 942 62 ARG C C 179.3 0.009 1 702 942 62 ARG CA C 59.52 0.061 1 703 942 62 ARG CB C 30.74 0.071 1 704 942 62 ARG CG C 27.48 0.067 1 705 942 62 ARG CD C 42.84 0.063 1 706 942 62 ARG N N 119.4 0.024 1 707 943 63 LEU H H 8.417 0.003 1 708 943 63 LEU HA H 3.972 0.004 1 709 943 63 LEU HB2 H 1.333 0.004 1 710 943 63 LEU HB3 H 1.969 0.004 1 711 943 63 LEU HG H 1.706 0.001 1 712 943 63 LEU HD1 H 0.817 0.005 2 713 943 63 LEU HD2 H 0.926 0.004 2 714 943 63 LEU C C 179.3 0.010 1 715 943 63 LEU CA C 58.08 0.029 1 716 943 63 LEU CB C 43.94 0.070 1 717 943 63 LEU CG C 27.74 0.014 1 718 943 63 LEU CD1 C 23.67 0.046 1 719 943 63 LEU N N 120.1 0.028 1 720 944 64 LYS H H 8.955 0.002 1 721 944 64 LYS HA H 3.824 0.003 1 722 944 64 LYS HB2 H 1.784 0.002 1 723 944 64 LYS HB3 H 1.861 0.003 1 724 944 64 LYS HG2 H 1.788 0.004 1 725 944 64 LYS HG3 H 1.352 0.004 1 726 944 64 LYS HD2 H 1.635 0.004 1 727 944 64 LYS HD3 H 1.562 0.008 1 728 944 64 LYS HE2 H 3.037 0.000 1 729 944 64 LYS HE3 H 2.865 0.005 1 730 944 64 LYS C C 179.5 0.005 1 731 944 64 LYS CA C 60.80 0.029 1 732 944 64 LYS CB C 32.46 0.018 1 733 944 64 LYS CG C 27.40 0.045 1 734 944 64 LYS CD C 29.80 0.047 1 735 944 64 LYS CE C 41.96 0.055 1 736 944 64 LYS N N 118.7 0.013 1 737 945 65 LYS H H 7.291 0.002 1 738 945 65 LYS HA H 4.164 0.002 1 739 945 65 LYS HB2 H 1.926 0.004 2 740 945 65 LYS HB3 H 1.957 0.006 2 741 945 65 LYS HG2 H 1.617 0.003 1 742 945 65 LYS HG3 H 1.506 0.005 1 743 945 65 LYS HD2 H 1.688 0.007 1 744 945 65 LYS HD3 H 1.712 0.004 1 745 945 65 LYS HE2 H 2.986 0.002 2 746 945 65 LYS HE3 H 3.002 0.003 2 747 945 65 LYS C C 179.0 0.000 1 748 945 65 LYS CA C 58.67 0.046 1 749 945 65 LYS CB C 32.27 0.033 1 750 945 65 LYS CG C 25.22 0.012 1 751 945 65 LYS CD C 29.13 0.016 1 752 945 65 LYS CE C 42.26 0.032 1 753 945 65 LYS N N 117.0 0.012 1 754 946 66 LEU H H 7.441 0.003 1 755 946 66 LEU HA H 4.203 0.004 1 756 946 66 LEU HB2 H 2.081 0.007 1 757 946 66 LEU HB3 H 1.622 0.003 1 758 946 66 LEU HG H 1.856 0.004 1 759 946 66 LEU HD1 H 0.964 0.003 2 760 946 66 LEU HD2 H 0.908 0.005 2 761 946 66 LEU C C 179.0 0.006 1 762 946 66 LEU CA C 57.12 0.043 1 763 946 66 LEU CB C 42.68 0.042 1 764 946 66 LEU CG C 26.46 0.000 1 765 946 66 LEU CD1 C 25.50 0.013 1 766 946 66 LEU CD2 C 23.06 0.049 1 767 946 66 LEU N N 118.7 0.012 1 768 947 67 VAL H H 7.677 0.002 1 769 947 67 VAL HA H 4.148 0.004 1 770 947 67 VAL HB H 2.241 0.004 1 771 947 67 VAL HG1 H 0.938 0.003 2 772 947 67 VAL HG2 H 0.991 0.002 2 773 947 67 VAL C C 176.6 0.004 1 774 947 67 VAL CA C 62.75 0.029 1 775 947 67 VAL CB C 32.62 0.024 1 776 947 67 VAL CG1 C 21.83 0.044 1 777 947 67 VAL CG2 C 21.51 0.000 1 778 947 67 VAL N N 113.8 0.018 1 779 948 68 GLY H H 7.853 0.002 1 780 948 68 GLY HA2 H 3.876 0.005 2 781 948 68 GLY HA3 H 4.116 0.003 1 782 948 68 GLY C C 174.2 0.003 1 783 948 68 GLY CA C 46.02 0.027 1 784 948 68 GLY N N 109.6 0.026 1 785 949 69 GLU H H 7.751 0.003 1 786 949 69 GLU HA H 4.156 0.003 1 787 949 69 GLU HB2 H 1.673 0.003 1 788 949 69 GLU HB3 H 2.070 0.007 1 789 949 69 GLU HG3 H 2.156 0.006 2 790 949 69 GLU C C 180.7 0.000 1 791 949 69 GLU CA C 57.70 0.030 1 792 949 69 GLU CB C 31.95 0.045 1 793 949 69 GLU N N 125.8 0.009 1 stop_ save_ save_assigned_chem_shift_list_1_2 _Saveframe_category assigned_chemical_shifts _Details . loop_ _Software_label $CCPN stop_ loop_ _Experiment_label '2D 1H-15N HSQC' '3D HCACO' '3D HNCO' '3D HN(CO)CA' '3D HNCA' '3D CBCA(CO)NH' '3D CBCANH' '2D HBCBCGCDHD' '3D H(CCO)NH' '3D HCCH-TOCSY' '3D HCCH-COSY' stop_ loop_ _Sample_label $sample_1 stop_ _Sample_conditions_label $sample_conditions_1 _Chem_shift_reference_set_label $chemical_shift_reference_1 _Mol_system_component_name entity_2 _Text_data_format . _Text_data . loop_ _Atom_shift_assign_ID _Residue_author_seq_code _Residue_seq_code _Residue_label _Atom_name _Atom_type _Chem_shift_value _Chem_shift_value_error _Chem_shift_ambiguity_code 1 1883 3 HIS C C 175.5 0.005 1 2 1883 3 HIS CA C 56.72 0.036 1 3 1883 3 HIS CB C 30.04 0.046 1 4 1884 4 GLU H H 8.428 0.003 1 5 1884 4 GLU HA H 4.223 0.005 1 6 1884 4 GLU HB2 H 2.027 0.006 2 7 1884 4 GLU HB3 H 1.960 0.005 2 8 1884 4 GLU HG2 H 2.226 0.005 2 9 1884 4 GLU C C 176.6 0.006 1 10 1884 4 GLU CA C 57.51 0.039 1 11 1884 4 GLU CB C 30.05 0.024 1 12 1884 4 GLU CG C 36.40 0.048 1 13 1884 4 GLU N N 121.3 0.011 1 14 1885 5 ASN H H 8.474 0.002 1 15 1885 5 ASN HA H 4.690 0.010 1 16 1885 5 ASN HB2 H 2.808 0.003 1 17 1885 5 ASN HB3 H 2.917 0.004 1 18 1885 5 ASN HD21 H 7.641 0.003 1 19 1885 5 ASN HD22 H 6.956 0.005 1 20 1885 5 ASN C C 175.9 0.003 1 21 1885 5 ASN CA C 53.76 0.029 1 22 1885 5 ASN CB C 38.73 0.038 1 23 1885 5 ASN CG C 176.9 0.012 1 24 1885 5 ASN N N 119.5 0.018 1 25 1885 5 ASN ND2 N 112.1 0.047 1 26 1886 6 LYS H H 8.311 0.002 1 27 1886 6 LYS HA H 4.230 0.005 1 28 1886 6 LYS HB2 H 1.836 0.010 2 29 1886 6 LYS HB3 H 1.892 0.005 2 30 1886 6 LYS HG2 H 1.456 0.012 1 31 1886 6 LYS HG3 H 1.500 0.008 1 32 1886 6 LYS HD2 H 1.690 0.009 2 33 1886 6 LYS HE2 H 2.986 0.008 2 34 1886 6 LYS C C 177.7 0.003 1 35 1886 6 LYS CA C 57.74 0.063 1 36 1886 6 LYS CB C 32.56 0.039 1 37 1886 6 LYS CG C 24.89 0.043 1 38 1886 6 LYS CD C 29.03 0.041 1 39 1886 6 LYS CE C 42.18 0.020 1 40 1886 6 LYS N N 121.7 0.020 1 41 1887 7 GLN H H 8.247 0.003 1 42 1887 7 GLN HA H 4.239 0.004 1 43 1887 7 GLN HB2 H 2.159 0.003 2 44 1887 7 GLN HB3 H 1.999 0.005 2 45 1887 7 GLN HG2 H 2.399 0.003 2 46 1887 7 GLN HG3 H 2.335 0.002 2 47 1887 7 GLN HE21 H 7.503 0.005 1 48 1887 7 GLN HE22 H 6.759 0.003 1 49 1887 7 GLN C C 177.2 0.004 1 50 1887 7 GLN CA C 58.23 0.038 1 51 1887 7 GLN CB C 28.91 0.044 1 52 1887 7 GLN CG C 34.48 0.027 1 53 1887 7 GLN CD C 179.9 0.011 1 54 1887 7 GLN N N 119.6 0.019 1 55 1887 7 GLN NE2 N 110.8 0.050 1 56 1888 8 VAL H H 7.843 0.004 1 57 1888 8 VAL HA H 3.782 0.005 1 58 1888 8 VAL HB H 2.145 0.004 1 59 1888 8 VAL HG1 H 0.981 0.007 2 60 1888 8 VAL HG2 H 1.041 0.005 2 61 1888 8 VAL C C 177.6 0.007 1 62 1888 8 VAL CA C 65.32 0.029 1 63 1888 8 VAL CB C 31.99 0.048 1 64 1888 8 VAL CG1 C 21.23 0.077 2 65 1888 8 VAL CG2 C 21.97 0.052 2 66 1888 8 VAL N N 119.1 0.011 1 67 1889 9 GLU H H 8.090 0.004 1 68 1889 9 GLU HA H 3.978 0.007 1 69 1889 9 GLU HB2 H 2.112 0.007 2 70 1889 9 GLU HG2 H 2.311 0.006 1 71 1889 9 GLU HG3 H 2.385 0.007 1 72 1889 9 GLU C C 178.9 0.011 1 73 1889 9 GLU CA C 59.64 0.051 1 74 1889 9 GLU CB C 29.47 0.060 1 75 1889 9 GLU CG C 36.64 0.052 1 76 1889 9 GLU N N 120.4 0.023 1 77 1890 10 GLU H H 8.133 0.007 1 78 1890 10 GLU HA H 4.264 0.005 1 79 1890 10 GLU HB2 H 2.020 0.006 1 80 1890 10 GLU HB3 H 2.131 0.007 1 81 1890 10 GLU HG2 H 2.302 0.003 1 82 1890 10 GLU HG3 H 2.350 0.003 1 83 1890 10 GLU C C 178.2 0.012 1 84 1890 10 GLU CA C 59.12 0.045 1 85 1890 10 GLU CB C 29.67 0.055 1 86 1890 10 GLU CG C 35.69 0.011 1 87 1890 10 GLU N N 120.7 0.053 1 88 1891 11 ILE H H 7.799 0.003 1 89 1891 11 ILE HA H 3.551 0.004 1 90 1891 11 ILE HB H 1.932 0.002 1 91 1891 11 ILE HG12 H 1.732 0.002 1 92 1891 11 ILE HG2 H 0.868 0.005 1 93 1891 11 ILE HD1 H 0.870 0.002 1 94 1891 11 ILE C C 177.4 0.011 1 95 1891 11 ILE CA C 65.82 0.055 1 96 1891 11 ILE CB C 37.90 0.073 1 97 1891 11 ILE CG1 C 30.61 0.048 1 98 1891 11 ILE CG2 C 17.01 0.030 1 99 1891 11 ILE CD1 C 13.12 0.030 1 100 1891 11 ILE N N 119.4 0.022 1 101 1892 12 LEU H H 7.814 0.004 1 102 1892 12 LEU HA H 4.108 0.005 1 103 1892 12 LEU HB2 H 1.549 0.006 1 104 1892 12 LEU HB3 H 1.825 0.003 1 105 1892 12 LEU HG H 1.776 0.001 1 106 1892 12 LEU HD1 H 0.892 0.010 2 107 1892 12 LEU C C 180.1 0.004 1 108 1892 12 LEU CA C 58.07 0.046 1 109 1892 12 LEU CB C 41.69 0.036 1 110 1892 12 LEU CG C 26.82 0.000 1 111 1892 12 LEU CD1 C 25.36 0.067 1 112 1892 12 LEU N N 118.4 0.058 1 113 1893 13 ARG H H 7.918 0.005 1 114 1893 13 ARG HA H 4.029 0.005 1 115 1893 13 ARG HB2 H 1.940 0.006 2 116 1893 13 ARG HB3 H 2.087 0.004 2 117 1893 13 ARG HG2 H 1.578 0.005 1 118 1893 13 ARG HG3 H 1.744 0.008 1 119 1893 13 ARG HD2 H 3.144 0.005 1 120 1893 13 ARG HD3 H 3.315 0.004 1 121 1893 13 ARG C C 179.5 0.017 1 122 1893 13 ARG CA C 59.79 0.040 1 123 1893 13 ARG CB C 30.14 0.039 1 124 1893 13 ARG CG C 27.62 0.048 1 125 1893 13 ARG CD C 43.27 0.039 1 126 1893 13 ARG N N 119.9 0.032 1 127 1894 14 LEU H H 8.236 0.004 1 128 1894 14 LEU HA H 4.075 0.012 1 129 1894 14 LEU HB2 H 1.341 0.004 1 130 1894 14 LEU HB3 H 2.108 0.004 1 131 1894 14 LEU HG H 0.981 0.015 1 132 1894 14 LEU C C 179.2 0.016 1 133 1894 14 LEU CA C 58.13 0.072 1 134 1894 14 LEU CB C 42.51 0.061 1 135 1894 14 LEU CG C 27.79 0.023 1 136 1894 14 LEU CD1 C 23.03 0.000 1 137 1894 14 LEU N N 121.3 0.027 1 138 1895 15 GLU H H 8.780 0.003 1 139 1895 15 GLU HA H 3.962 0.005 1 140 1895 15 GLU HB2 H 1.988 0.002 1 141 1895 15 GLU HB3 H 2.252 0.006 1 142 1895 15 GLU HG2 H 2.175 0.006 1 143 1895 15 GLU HG3 H 2.676 0.005 1 144 1895 15 GLU C C 180.1 0.012 1 145 1895 15 GLU CA C 60.27 0.039 1 146 1895 15 GLU CB C 29.50 0.018 1 147 1895 15 GLU CG C 37.42 0.028 1 148 1895 15 GLU N N 118.2 0.019 1 149 1896 16 LYS H H 7.884 0.005 1 150 1896 16 LYS HB2 H 2.077 0.002 1 151 1896 16 LYS HD2 H 1.686 0.001 1 152 1896 16 LYS C C 178.3 0.016 1 153 1896 16 LYS CA C 58.98 0.063 1 154 1896 16 LYS CB C 31.84 0.047 1 155 1896 16 LYS CG C 24.98 0.000 1 156 1896 16 LYS CD C 28.69 0.018 1 157 1896 16 LYS N N 120.6 0.023 1 158 1897 17 GLU H H 7.913 0.004 1 159 1897 17 GLU HA H 4.155 0.004 1 160 1897 17 GLU HB2 H 2.253 0.001 1 161 1897 17 GLU HG2 H 2.318 0.006 1 162 1897 17 GLU HG3 H 2.463 0.005 1 163 1897 17 GLU C C 179.8 0.048 1 164 1897 17 GLU CA C 59.87 0.040 1 165 1897 17 GLU CB C 29.23 0.029 1 166 1897 17 GLU CG C 35.90 0.057 1 167 1897 17 GLU N N 121.1 0.025 1 168 1898 18 ILE H H 8.274 0.003 1 169 1898 18 ILE HA H 3.535 0.002 1 170 1898 18 ILE HB H 1.930 0.004 1 171 1898 18 ILE HG12 H 1.868 0.001 1 172 1898 18 ILE HG2 H 0.877 0.008 1 173 1898 18 ILE HD1 H 1.005 0.003 1 174 1898 18 ILE C C 177.3 0.018 1 175 1898 18 ILE CA C 66.30 0.026 1 176 1898 18 ILE CB C 38.13 0.029 1 177 1898 18 ILE CG1 C 29.08 0.000 1 178 1898 18 ILE CG2 C 16.96 0.019 1 179 1898 18 ILE N N 120.0 0.036 1 180 1899 19 GLU H H 7.891 0.003 1 181 1899 19 GLU HA H 4.024 0.004 1 182 1899 19 GLU HB2 H 2.202 0.012 2 183 1899 19 GLU HB3 H 2.249 0.013 2 184 1899 19 GLU HG2 H 2.438 0.008 1 185 1899 19 GLU HG3 H 2.510 0.002 1 186 1899 19 GLU C C 179.4 0.012 1 187 1899 19 GLU CA C 59.89 0.033 1 188 1899 19 GLU CB C 29.53 0.071 1 189 1899 19 GLU CG C 36.43 0.036 1 190 1899 19 GLU N N 120.4 0.042 1 191 1900 20 ASP H H 8.231 0.004 1 192 1900 20 ASP HA H 4.464 0.005 1 193 1900 20 ASP HB2 H 2.694 0.008 1 194 1900 20 ASP HB3 H 2.873 0.004 1 195 1900 20 ASP C C 179.8 0.002 1 196 1900 20 ASP CA C 57.71 0.054 1 197 1900 20 ASP CB C 40.56 0.028 1 198 1900 20 ASP N N 119.6 0.021 1 199 1901 21 LEU H H 8.470 0.005 1 200 1901 21 LEU HA H 4.122 0.004 1 201 1901 21 LEU HB2 H 1.381 0.005 1 202 1901 21 LEU HB3 H 2.190 0.009 1 203 1901 21 LEU HG H 1.027 0.005 1 204 1901 21 LEU HD1 H 0.915 0.006 2 205 1901 21 LEU HD2 H 0.946 0.000 2 206 1901 21 LEU C C 179.9 0.011 1 207 1901 21 LEU CA C 58.37 0.037 1 208 1901 21 LEU CB C 43.75 0.016 1 209 1901 21 LEU CG C 27.14 0.053 1 210 1901 21 LEU CD1 C 23.61 0.039 1 211 1901 21 LEU N N 122.2 0.040 1 212 1902 22 GLN H H 9.079 0.005 1 213 1902 22 GLN HA H 4.093 0.003 1 214 1902 22 GLN HB2 H 2.351 0.003 1 215 1902 22 GLN HB3 H 2.102 0.005 1 216 1902 22 GLN HG2 H 2.597 0.003 1 217 1902 22 GLN HG3 H 2.416 0.006 1 218 1902 22 GLN HE21 H 6.718 0.003 1 219 1902 22 GLN HE22 H 7.232 0.004 1 220 1902 22 GLN C C 179.1 0.006 1 221 1902 22 GLN CA C 59.42 0.036 1 222 1902 22 GLN CB C 27.80 0.049 1 223 1902 22 GLN CG C 33.98 0.032 1 224 1902 22 GLN CD C 179.6 0.017 1 225 1902 22 GLN N N 121.0 0.023 1 226 1902 22 GLN NE2 N 109.9 0.033 1 227 1903 23 ARG H H 8.107 0.003 1 228 1903 23 ARG HA H 4.200 0.007 1 229 1903 23 ARG HB2 H 2.105 0.002 1 230 1903 23 ARG HB3 H 1.965 0.007 1 231 1903 23 ARG HG2 H 1.883 0.004 1 232 1903 23 ARG HG3 H 1.773 0.003 1 233 1903 23 ARG HD2 H 3.288 0.012 2 234 1903 23 ARG HD3 H 3.292 0.011 2 235 1903 23 ARG C C 179.8 0.001 1 236 1903 23 ARG CA C 59.44 0.034 1 237 1903 23 ARG CB C 30.28 0.017 1 238 1903 23 ARG CG C 27.62 0.041 1 239 1903 23 ARG CD C 43.47 0.018 1 240 1903 23 ARG N N 119.9 0.036 1 241 1904 24 MET H H 8.005 0.004 1 242 1904 24 MET HA H 4.218 0.001 1 243 1904 24 MET HB2 H 2.686 0.002 2 244 1904 24 MET HB3 H 2.619 0.002 2 245 1904 24 MET HG2 H 2.268 0.006 1 246 1904 24 MET HG3 H 2.149 0.001 1 247 1904 24 MET C C 177.8 0.004 1 248 1904 24 MET CA C 58.59 0.033 1 249 1904 24 MET CB C 32.28 0.024 1 250 1904 24 MET CG C 32.00 0.000 1 251 1904 24 MET N N 119.5 0.052 1 252 1905 25 LYS H H 8.465 0.004 1 253 1905 25 LYS HA H 4.369 0.006 1 254 1905 25 LYS HB2 H 2.116 0.004 1 255 1905 25 LYS HB3 H 1.948 0.004 1 256 1905 25 LYS HG2 H 1.439 0.004 2 257 1905 25 LYS HG3 H 1.409 0.002 2 258 1905 25 LYS HD2 H 1.727 0.004 1 259 1905 25 LYS HD3 H 1.635 0.001 1 260 1905 25 LYS HE2 H 3.041 0.001 1 261 1905 25 LYS HE3 H 2.982 0.001 1 262 1905 25 LYS C C 179.3 0.003 1 263 1905 25 LYS CA C 59.29 0.045 1 264 1905 25 LYS CB C 32.42 0.038 1 265 1905 25 LYS CG C 24.57 0.048 1 266 1905 25 LYS CD C 30.16 0.019 1 267 1905 25 LYS CE C 42.03 0.054 1 268 1905 25 LYS N N 121.9 0.040 1 269 1906 26 GLU H H 8.013 0.002 1 270 1906 26 GLU HA H 4.152 0.009 1 271 1906 26 GLU HB2 H 2.047 0.007 1 272 1906 26 GLU HB3 H 2.219 0.006 1 273 1906 26 GLU HG2 H 2.504 0.009 1 274 1906 26 GLU HG3 H 2.320 0.003 1 275 1906 26 GLU C C 179.4 0.036 1 276 1906 26 GLU CA C 59.36 0.054 1 277 1906 26 GLU CB C 29.62 0.042 1 278 1906 26 GLU CG C 36.35 0.064 1 279 1906 26 GLU N N 119.2 0.020 1 280 1907 27 ARG H H 7.946 0.003 1 281 1907 27 ARG HA H 4.161 0.002 1 282 1907 27 ARG HB2 H 2.061 0.003 2 283 1907 27 ARG HG2 H 1.759 0.004 1 284 1907 27 ARG HG3 H 1.868 0.003 1 285 1907 27 ARG HD2 H 3.243 0.005 2 286 1907 27 ARG HD3 H 3.274 0.000 2 287 1907 27 ARG C C 179.8 0.011 1 288 1907 27 ARG CA C 59.47 0.033 1 289 1907 27 ARG CB C 30.06 0.037 1 290 1907 27 ARG CG C 27.32 0.025 1 291 1907 27 ARG CD C 43.59 0.028 1 292 1907 27 ARG N N 120.0 0.014 1 293 1908 28 GLN H H 8.639 0.003 1 294 1908 28 GLN HA H 4.269 0.002 1 295 1908 28 GLN HB2 H 2.023 0.001 1 296 1908 28 GLN HB3 H 2.139 0.004 1 297 1908 28 GLN HG2 H 2.323 0.018 2 298 1908 28 GLN HG3 H 2.323 0.018 2 299 1908 28 GLN HE21 H 7.672 0.002 1 300 1908 28 GLN HE22 H 6.764 0.003 1 301 1908 28 GLN C C 178.4 0.003 1 302 1908 28 GLN CA C 59.41 0.010 1 303 1908 28 GLN CB C 29.46 0.049 1 304 1908 28 GLN CG C 35.26 0.017 1 305 1908 28 GLN CD C 179.0 0.012 1 306 1908 28 GLN N N 119.3 0.022 1 307 1908 28 GLN NE2 N 109.9 0.046 1 308 1909 29 GLU H H 8.346 0.003 1 309 1909 29 GLU HA H 4.020 0.007 1 310 1909 29 GLU HB2 H 2.124 0.006 2 311 1909 29 GLU HG2 H 2.449 0.004 1 312 1909 29 GLU HG3 H 2.275 0.003 1 313 1909 29 GLU C C 179.7 0.018 1 314 1909 29 GLU CA C 59.91 0.027 1 315 1909 29 GLU CB C 29.39 0.042 1 316 1909 29 GLU CG C 36.63 0.038 1 317 1909 29 GLU N N 120.3 0.012 1 318 1910 30 LEU H H 7.825 0.003 1 319 1910 30 LEU HA H 4.231 0.007 1 320 1910 30 LEU HB2 H 1.907 0.007 1 321 1910 30 LEU HB3 H 1.792 0.006 1 322 1910 30 LEU HG H 1.807 0.015 1 323 1910 30 LEU HD1 H 0.941 0.006 2 324 1910 30 LEU HD2 H 0.975 0.005 2 325 1910 30 LEU C C 180.1 0.004 1 326 1910 30 LEU CA C 58.37 0.037 1 327 1910 30 LEU CB C 41.49 0.047 1 328 1910 30 LEU CG C 27.01 0.021 1 329 1910 30 LEU CD1 C 23.91 0.075 1 330 1910 30 LEU CD2 C 24.41 0.012 1 331 1910 30 LEU N N 121.1 0.028 1 332 1911 31 SER H H 8.142 0.004 1 333 1911 31 SER HA H 4.322 0.005 1 334 1911 31 SER HB2 H 3.993 0.006 2 335 1911 31 SER C C 177.3 0.000 1 336 1911 31 SER CA C 62.34 0.062 1 337 1911 31 SER CB C 62.99 0.061 1 338 1911 31 SER N N 116.5 0.010 1 339 1912 32 LEU H H 8.651 0.003 1 340 1912 32 LEU HA H 4.213 0.007 1 341 1912 32 LEU HB2 H 1.685 0.005 1 342 1912 32 LEU HG H 1.653 0.004 1 343 1912 32 LEU HD1 H 0.894 0.004 2 344 1912 32 LEU C C 179.5 0.017 1 345 1912 32 LEU CA C 58.39 0.061 1 346 1912 32 LEU CB C 41.62 0.046 1 347 1912 32 LEU CG C 27.54 0.065 1 348 1912 32 LEU CD1 C 24.23 0.053 1 349 1912 32 LEU N N 125.3 0.007 1 350 1913 33 THR H H 8.419 0.004 1 351 1913 33 THR HA H 3.983 0.003 1 352 1913 33 THR HB H 4.434 0.003 1 353 1913 33 THR HG2 H 1.296 0.004 1 354 1913 33 THR C C 176.8 0.008 1 355 1913 33 THR CA C 67.13 0.026 1 356 1913 33 THR CB C 68.68 0.033 1 357 1913 33 THR CG2 C 21.72 0.029 1 358 1913 33 THR N N 120.0 0.047 1 359 1914 34 GLU H H 8.189 0.003 1 360 1914 34 GLU HA H 4.058 0.001 1 361 1914 34 GLU HB2 H 2.100 0.004 2 362 1914 34 GLU HG2 H 2.218 0.009 1 363 1914 34 GLU HG3 H 2.405 0.004 1 364 1914 34 GLU C C 178.8 0.004 1 365 1914 34 GLU CA C 59.82 0.037 1 366 1914 34 GLU CB C 29.60 0.011 1 367 1914 34 GLU CG C 36.40 0.047 1 368 1914 34 GLU N N 122.2 0.021 1 369 1915 35 ALA H H 8.315 0.005 1 370 1915 35 ALA HA H 4.217 0.003 1 371 1915 35 ALA HB H 1.501 0.005 1 372 1915 35 ALA C C 180.7 0.003 1 373 1915 35 ALA CA C 55.20 0.044 1 374 1915 35 ALA CB C 17.90 0.047 1 375 1915 35 ALA N N 121.463 0.040 1 376 1916 36 SER H H 8.238 0.002 1 377 1916 36 SER HA H 4.233 0.003 1 378 1916 36 SER HB2 H 4.131 0.001 1 379 1916 36 SER HB3 H 4.058 0.007 1 380 1916 36 SER C C 176.7 0.008 1 381 1916 36 SER CA C 62.08 0.056 1 382 1916 36 SER CB C 62.71 0.056 1 383 1916 36 SER N N 115.0 0.011 1 384 1917 37 LEU H H 7.880 0.004 1 385 1917 37 LEU HA H 4.113 0.004 1 386 1917 37 LEU HB2 H 1.899 0.008 1 387 1917 37 LEU HB3 H 1.824 0.001 1 388 1917 37 LEU HG H 1.797 0.012 1 389 1917 37 LEU HD1 H 0.980 0.005 2 390 1917 37 LEU HD2 H 0.906 0.005 2 391 1917 37 LEU C C 180.0 0.002 1 392 1917 37 LEU CA C 58.18 0.047 1 393 1917 37 LEU CB C 41.64 0.053 1 394 1917 37 LEU CG C 26.97 0.041 1 395 1917 37 LEU CD1 C 24.74 0.043 1 396 1917 37 LEU CD2 C 23.56 0.046 1 397 1917 37 LEU N N 123.5 0.018 1 398 1918 38 GLN H H 8.201 0.002 1 399 1918 38 GLN HA H 4.100 0.005 1 400 1918 38 GLN HB2 H 2.244 0.006 1 401 1918 38 GLN HB3 H 2.013 0.003 1 402 1918 38 GLN HG2 H 2.616 0.006 1 403 1918 38 GLN HG3 H 2.431 0.008 1 404 1918 38 GLN HE21 H 7.456 0.002 1 405 1918 38 GLN HE22 H 6.786 0.006 1 406 1918 38 GLN C C 178.9 0.005 1 407 1918 38 GLN CA C 58.91 0.031 1 408 1918 38 GLN CB C 28.29 0.054 1 409 1918 38 GLN CG C 34.05 0.051 1 410 1918 38 GLN CD C 179.6 0.013 1 411 1918 38 GLN N N 119.0 0.030 1 412 1918 38 GLN NE2 N 110.5 0.037 1 413 1919 39 LYS H H 8.191 0.002 1 414 1919 39 LYS HA H 3.883 0.004 1 415 1919 39 LYS HB2 H 2.019 0.021 2 416 1919 39 LYS HB3 H 2.021 0.021 2 417 1919 39 LYS HG2 H 1.324 0.003 1 418 1919 39 LYS HG3 H 1.443 0.003 1 419 1919 39 LYS HD2 H 1.686 0.000 1 420 1919 39 LYS HD3 H 1.717 0.006 1 421 1919 39 LYS HE2 H 2.956 0.017 2 422 1919 39 LYS HE3 H 2.958 0.018 2 423 1919 39 LYS C C 177.6 0.003 1 424 1919 39 LYS CA C 60.60 0.031 1 425 1919 39 LYS CB C 32.38 0.027 1 426 1919 39 LYS CG C 25.30 0.046 1 427 1919 39 LYS CD C 29.70 0.025 1 428 1919 39 LYS CE C 42.15 0.012 1 429 1919 39 LYS N N 120.3 0.023 1 430 1920 40 LEU H H 7.738 0.003 1 431 1920 40 LEU HA H 4.183 0.004 1 432 1920 40 LEU HB2 H 1.751 0.005 1 433 1920 40 LEU HB3 H 1.876 0.012 1 434 1920 40 LEU HG H 1.655 0.000 1 435 1920 40 LEU HD1 H 0.925 0.005 2 436 1920 40 LEU C C 179.5 0.004 1 437 1920 40 LEU CA C 58.27 0.026 1 438 1920 40 LEU CB C 41.85 0.038 1 439 1920 40 LEU CG C 26.90 0.004 1 440 1920 40 LEU CD1 C 23.84 0.015 1 441 1920 40 LEU N N 119.1 0.019 1 442 1921 41 GLN H H 7.828 0.004 1 443 1921 41 GLN HA H 4.170 0.005 1 444 1921 41 GLN HB2 H 2.157 0.004 1 445 1921 41 GLN HB3 H 2.268 0.004 1 446 1921 41 GLN HG2 H 2.644 0.005 1 447 1921 41 GLN HG3 H 2.440 0.003 1 448 1921 41 GLN HE21 H 6.796 0.002 1 449 1921 41 GLN HE22 H 7.368 0.003 1 450 1921 41 GLN C C 180.0 0.004 1 451 1921 41 GLN CA C 59.10 0.062 1 452 1921 41 GLN CB C 28.47 0.037 1 453 1921 41 GLN CG C 34.26 0.053 1 454 1921 41 GLN CD C 180.2 0.010 1 455 1921 41 GLN N N 117.5 0.032 1 456 1921 41 GLN NE2 N 110.1 0.031 1 457 1922 42 LEU H H 8.078 0.005 1 458 1922 42 LEU HA H 3.964 0.004 1 459 1922 42 LEU HB2 H 2.135 0.008 1 460 1922 42 LEU HB3 H 1.340 0.006 1 461 1922 42 LEU HG H 1.935 0.009 1 462 1922 42 LEU HD1 H 0.926 0.008 2 463 1922 42 LEU C C 178.7 0.006 1 464 1922 42 LEU CA C 58.16 0.049 1 465 1922 42 LEU CB C 43.59 0.067 1 466 1922 42 LEU CG C 27.00 0.006 1 467 1922 42 LEU CD1 C 23.60 0.041 1 468 1922 42 LEU N N 121.5 0.032 1 469 1923 43 GLU H H 8.738 0.005 1 470 1923 43 GLU HA H 3.896 0.006 1 471 1923 43 GLU HB2 H 2.053 0.005 1 472 1923 43 GLU HB3 H 2.322 0.011 1 473 1923 43 GLU HG2 H 2.631 0.004 1 474 1923 43 GLU HG3 H 2.219 0.003 1 475 1923 43 GLU C C 180.1 0.006 1 476 1923 43 GLU CA C 60.44 0.042 1 477 1923 43 GLU CB C 29.27 0.052 1 478 1923 43 GLU CG C 37.99 0.039 1 479 1923 43 GLU N N 120.4 0.023 1 480 1924 44 ASP H H 8.102 0.004 1 481 1924 44 ASP HA H 4.470 0.005 1 482 1924 44 ASP HB2 H 2.713 0.003 1 483 1924 44 ASP HB3 H 2.873 0.005 1 484 1924 44 ASP C C 178.8 0.011 1 485 1924 44 ASP CA C 57.49 0.067 1 486 1924 44 ASP CB C 40.49 0.033 1 487 1924 44 ASP N N 120.1 0.050 1 488 1925 45 LYS H H 7.825 0.002 1 489 1925 45 LYS HA H 4.220 0.004 1 490 1925 45 LYS HB2 H 2.023 0.002 1 491 1925 45 LYS HB3 H 2.146 0.001 1 492 1925 45 LYS HG2 H 1.588 0.008 2 493 1925 45 LYS HG3 H 1.592 0.009 2 494 1925 45 LYS HD2 H 1.770 0.006 1 495 1925 45 LYS HD3 H 1.421 0.000 1 496 1925 45 LYS HE2 H 2.897 0.001 1 497 1925 45 LYS HE3 H 3.006 0.000 1 498 1925 45 LYS C C 178.7 0.010 1 499 1925 45 LYS CA C 58.62 0.053 1 500 1925 45 LYS CB C 31.55 0.045 1 501 1925 45 LYS CG C 24.71 0.025 1 502 1925 45 LYS CD C 28.54 0.010 1 503 1925 45 LYS CE C 40.76 0.016 1 504 1925 45 LYS N N 122.5 0.018 1 505 1926 46 VAL H H 8.578 0.003 1 506 1926 46 VAL HA H 3.436 0.005 1 507 1926 46 VAL HB H 2.279 0.005 1 508 1926 46 VAL HG1 H 0.905 0.003 2 509 1926 46 VAL HG2 H 1.057 0.006 2 510 1926 46 VAL C C 177.3 0.005 1 511 1926 46 VAL CA C 67.82 0.025 1 512 1926 46 VAL CB C 31.70 0.048 1 513 1926 46 VAL CG1 C 21.35 0.019 1 514 1926 46 VAL CG2 C 25.01 0.047 1 515 1926 46 VAL N N 120.0 0.010 1 516 1927 47 GLU H H 7.848 0.004 1 517 1927 47 GLU HA H 4.111 0.002 1 518 1927 47 GLU HB2 H 2.183 0.007 1 519 1927 47 GLU HB3 H 2.252 0.001 1 520 1927 47 GLU HG2 H 2.352 0.006 1 521 1927 47 GLU HG3 H 2.425 0.008 1 522 1927 47 GLU C C 179.6 0.002 1 523 1927 47 GLU CA C 59.94 0.044 1 524 1927 47 GLU CB C 29.27 0.072 1 525 1927 47 GLU CG C 36.05 0.056 1 526 1927 47 GLU N N 118.0 0.027 1 527 1928 48 GLU H H 8.139 0.004 1 528 1928 48 GLU HA H 4.112 0.003 1 529 1928 48 GLU HB2 H 2.087 0.002 1 530 1928 48 GLU HB3 H 2.274 0.005 1 531 1928 48 GLU HG2 H 2.435 0.006 1 532 1928 48 GLU HG3 H 2.317 0.003 1 533 1928 48 GLU C C 179.7 0.003 1 534 1928 48 GLU CA C 59.49 0.062 1 535 1928 48 GLU CB C 29.82 0.055 1 536 1928 48 GLU CG C 36.20 0.067 1 537 1928 48 GLU N N 120.9 0.027 1 538 1929 49 LEU H H 8.557 0.005 1 539 1929 49 LEU HA H 4.025 0.007 1 540 1929 49 LEU HB2 H 2.100 0.011 1 541 1929 49 LEU HB3 H 1.314 0.017 1 542 1929 49 LEU HD1 H 0.877 0.006 2 543 1929 49 LEU C C 179.6 0.017 1 544 1929 49 LEU CA C 58.06 0.059 1 545 1929 49 LEU CB C 43.36 0.043 1 546 1929 49 LEU CG C 27.95 0.000 1 547 1929 49 LEU CD1 C 23.13 0.036 1 548 1929 49 LEU CD2 C 27.16 0.000 1 549 1929 49 LEU N N 120.6 0.019 1 550 1930 50 LEU H H 9.107 0.003 1 551 1930 50 LEU HA H 4.067 0.006 1 552 1930 50 LEU HB2 H 1.952 0.005 1 553 1930 50 LEU HB3 H 1.482 0.002 1 554 1930 50 LEU HG H 0.860 0.002 1 555 1930 50 LEU HD1 H 0.917 0.001 2 556 1930 50 LEU C C 180.0 0.003 1 557 1930 50 LEU CA C 58.29 0.053 1 558 1930 50 LEU CB C 42.09 0.030 1 559 1930 50 LEU CG C 25.98 0.047 1 560 1930 50 LEU CD1 C 23.90 0.008 1 561 1930 50 LEU CD2 C 25.15 0.000 1 562 1930 50 LEU N N 122.0 0.024 1 563 1931 51 SER H H 7.883 0.003 1 564 1931 51 SER HA H 4.346 0.004 1 565 1931 51 SER HB2 H 4.099 0.005 2 566 1931 51 SER C C 177.7 0.013 1 567 1931 51 SER CA C 61.79 0.045 1 568 1931 51 SER CB C 62.83 0.043 1 569 1931 51 SER N N 114.8 0.015 1 570 1932 52 LYS H H 8.202 0.003 1 571 1932 52 LYS HA H 4.220 0.005 1 572 1932 52 LYS HB2 H 1.887 0.003 1 573 1932 52 LYS HB3 H 1.966 0.003 1 574 1932 52 LYS HG2 H 1.708 0.007 1 575 1932 52 LYS HG3 H 1.499 0.006 1 576 1932 52 LYS HD2 H 1.799 0.000 1 577 1932 52 LYS HD3 H 1.620 0.001 1 578 1932 52 LYS HE2 H 2.983 0.005 1 579 1932 52 LYS HE3 H 2.869 0.001 1 580 1932 52 LYS C C 178.8 0.003 1 581 1932 52 LYS CA C 59.78 0.058 1 582 1932 52 LYS CB C 32.78 0.031 1 583 1932 52 LYS CG C 25.58 0.058 1 584 1932 52 LYS CD C 29.31 0.051 1 585 1932 52 LYS CE C 42.08 0.034 1 586 1932 52 LYS N N 122.2 0.010 1 587 1933 53 ASN H H 8.777 0.004 1 588 1933 53 ASN HA H 4.401 0.003 1 589 1933 53 ASN HB2 H 2.768 0.003 1 590 1933 53 ASN HB3 H 3.272 0.003 1 591 1933 53 ASN HD21 H 7.548 0.001 1 592 1933 53 ASN HD22 H 6.602 0.001 1 593 1933 53 ASN C C 176.8 0.009 1 594 1933 53 ASN CA C 57.33 0.044 1 595 1933 53 ASN CB C 39.01 0.048 1 596 1933 53 ASN N N 119.5 0.038 1 597 1933 53 ASN ND2 N 105.0 0.029 1 598 1934 54 TYR H H 8.236 0.003 1 599 1934 54 TYR HA H 4.372 0.003 1 600 1934 54 TYR HB2 H 3.188 0.008 1 601 1934 54 TYR HB3 H 3.266 0.006 1 602 1934 54 TYR HD1 H 7.052 0.005 3 603 1934 54 TYR HD2 H 7.052 0.005 3 604 1934 54 TYR HE1 H 6.809 0.003 3 605 1934 54 TYR HE2 H 6.809 0.003 3 606 1934 54 TYR C C 178.2 0.002 1 607 1934 54 TYR CA C 60.84 0.036 1 608 1934 54 TYR CB C 37.93 0.033 1 609 1934 54 TYR CD1 C 133.4 0.000 3 610 1934 54 TYR CD2 C 133.4 0.000 3 611 1934 54 TYR CE1 C 118.2 0.038 3 612 1934 54 TYR CE2 C 118.2 0.038 3 613 1934 54 TYR N N 120.3 0.029 1 614 1935 55 HIS H H 7.817 0.003 1 615 1935 55 HIS HA H 4.353 0.004 1 616 1935 55 HIS HB2 H 3.325 0.002 2 617 1935 55 HIS HB3 H 3.357 0.004 2 618 1935 55 HIS HD2 H 7.103 0.000 1 619 1935 55 HIS HE1 H 8.013 0.004 1 620 1935 55 HIS C C 178.6 0.012 1 621 1935 55 HIS CA C 59.91 0.041 1 622 1935 55 HIS CB C 29.79 0.024 1 623 1935 55 HIS CD2 C 120.3 0.000 1 624 1935 55 HIS CE1 C 138.2 0.006 1 625 1935 55 HIS N N 118.0 0.020 1 626 1936 56 LEU H H 8.522 0.003 1 627 1936 56 LEU HA H 4.123 0.008 1 628 1936 56 LEU HB2 H 1.379 0.006 1 629 1936 56 LEU HB3 H 2.170 0.005 1 630 1936 56 LEU HG H 1.025 0.001 1 631 1936 56 LEU HD1 H 0.896 0.009 2 632 1936 56 LEU C C 178.9 0.007 1 633 1936 56 LEU CA C 58.22 0.041 1 634 1936 56 LEU CB C 43.64 0.040 1 635 1936 56 LEU CG C 26.82 0.000 1 636 1936 56 LEU CD1 C 23.37 0.042 1 637 1936 56 LEU N N 120.5 0.030 1 638 1937 57 GLU H H 8.856 0.002 1 639 1937 57 GLU HA H 3.911 0.004 1 640 1937 57 GLU HB2 H 1.996 0.005 1 641 1937 57 GLU HB3 H 2.246 0.001 1 642 1937 57 GLU HG2 H 2.480 0.004 1 643 1937 57 GLU HG3 H 2.248 0.002 1 644 1937 57 GLU C C 180.3 0.013 1 645 1937 57 GLU CA C 60.28 0.048 1 646 1937 57 GLU CB C 29.27 0.031 1 647 1937 57 GLU CG C 36.95 0.035 1 648 1937 57 GLU N N 119.6 0.007 1 649 1938 58 ASN H H 7.735 0.003 1 650 1938 58 ASN HA H 4.434 0.004 1 651 1938 58 ASN HB2 H 2.874 0.007 1 652 1938 58 ASN HB3 H 2.747 0.004 1 653 1938 58 ASN HD21 H 7.382 0.003 1 654 1938 58 ASN HD22 H 6.759 0.000 1 655 1938 58 ASN C C 177.9 0.009 1 656 1938 58 ASN CA C 56.10 0.031 1 657 1938 58 ASN CB C 38.01 0.045 1 658 1938 58 ASN CG C 175.9 0.000 1 659 1938 58 ASN N N 118.9 0.022 1 660 1938 58 ASN ND2 N 110.9 0.018 1 661 1939 59 GLU H H 8.098 0.004 1 662 1939 59 GLU HA H 4.442 0.009 1 663 1939 59 GLU HB2 H 1.986 0.004 1 664 1939 59 GLU HB3 H 2.144 0.007 1 665 1939 59 GLU HG2 H 2.114 0.011 2 666 1939 59 GLU C C 178.4 0.009 1 667 1939 59 GLU CA C 58.71 0.056 1 668 1939 59 GLU CB C 30.13 0.046 1 669 1939 59 GLU CG C 35.97 0.050 1 670 1939 59 GLU N N 123.8 0.015 1 671 1940 60 VAL H H 8.669 0.003 1 672 1940 60 VAL HA H 3.400 0.005 1 673 1940 60 VAL HB H 2.122 0.002 1 674 1940 60 VAL HG1 H 1.030 0.002 2 675 1940 60 VAL HG2 H 0.891 0.002 2 676 1940 60 VAL C C 177.4 0.002 1 677 1940 60 VAL CA C 67.72 0.021 1 678 1940 60 VAL CB C 31.63 0.036 1 679 1940 60 VAL CG1 C 25.43 0.025 1 680 1940 60 VAL CG2 C 21.67 0.057 1 681 1940 60 VAL N N 120.0 0.026 1 682 1941 61 ALA H H 7.725 0.002 1 683 1941 61 ALA HA H 4.014 0.003 1 684 1941 61 ALA HB H 1.496 0.004 1 685 1941 61 ALA C C 180.5 0.012 1 686 1941 61 ALA CA C 55.40 0.026 1 687 1941 61 ALA CB C 18.03 0.019 1 688 1941 61 ALA N N 119.8 0.015 1 689 1942 62 ARG H H 7.904 0.008 1 690 1942 62 ARG HA H 3.965 0.005 1 691 1942 62 ARG HB2 H 1.884 0.007 1 692 1942 62 ARG HB3 H 2.134 0.008 1 693 1942 62 ARG HG2 H 1.645 0.007 1 694 1942 62 ARG HG3 H 1.355 0.003 1 695 1942 62 ARG HD2 H 3.417 0.006 1 696 1942 62 ARG HD3 H 3.013 0.003 1 697 1942 62 ARG C C 179.3 0.009 1 698 1942 62 ARG CA C 59.52 0.061 1 699 1942 62 ARG CB C 30.74 0.071 1 700 1942 62 ARG CG C 27.48 0.067 1 701 1942 62 ARG CD C 42.84 0.063 1 702 1942 62 ARG N N 119.4 0.024 1 703 1943 63 LEU H H 8.417 0.003 1 704 1943 63 LEU HA H 3.972 0.004 1 705 1943 63 LEU HB2 H 1.969 0.004 1 706 1943 63 LEU HB3 H 1.333 0.004 1 707 1943 63 LEU HG H 1.706 0.001 1 708 1943 63 LEU HD1 H 0.817 0.005 2 709 1943 63 LEU HD2 H 0.926 0.004 2 710 1943 63 LEU C C 179.3 0.010 1 711 1943 63 LEU CA C 58.08 0.029 1 712 1943 63 LEU CB C 43.94 0.070 1 713 1943 63 LEU CG C 27.74 0.014 1 714 1943 63 LEU CD1 C 23.67 0.046 1 715 1943 63 LEU N N 120.1 0.028 1 716 1944 64 LYS H H 8.955 0.002 1 717 1944 64 LYS HA H 3.824 0.003 1 718 1944 64 LYS HB2 H 1.861 0.003 1 719 1944 64 LYS HB3 H 1.784 0.002 1 720 1944 64 LYS HG2 H 1.352 0.004 1 721 1944 64 LYS HG3 H 1.788 0.004 1 722 1944 64 LYS HD2 H 1.562 0.008 1 723 1944 64 LYS HD3 H 1.635 0.004 1 724 1944 64 LYS HE2 H 2.865 0.005 1 725 1944 64 LYS HE3 H 3.037 0.000 1 726 1944 64 LYS C C 179.5 0.005 1 727 1944 64 LYS CA C 60.80 0.029 1 728 1944 64 LYS CB C 32.46 0.018 1 729 1944 64 LYS CG C 27.40 0.045 1 730 1944 64 LYS CD C 29.80 0.047 1 731 1944 64 LYS CE C 41.96 0.055 1 732 1944 64 LYS N N 118.7 0.013 1 733 1945 65 LYS H H 7.291 0.002 1 734 1945 65 LYS HA H 4.164 0.002 1 735 1945 65 LYS HB2 H 1.957 0.006 2 736 1945 65 LYS HB3 H 1.926 0.004 2 737 1945 65 LYS HG2 H 1.506 0.005 1 738 1945 65 LYS HG3 H 1.617 0.003 1 739 1945 65 LYS HD2 H 1.704 0.013 2 740 1945 65 LYS HD3 H 1.698 0.013 2 741 1945 65 LYS HE2 H 3.002 0.003 2 742 1945 65 LYS HE3 H 2.986 0.002 2 743 1945 65 LYS C C 179.0 0.000 1 744 1945 65 LYS CA C 58.67 0.046 1 745 1945 65 LYS CB C 32.27 0.033 1 746 1945 65 LYS CG C 25.22 0.012 1 747 1945 65 LYS CD C 29.13 0.016 1 748 1945 65 LYS CE C 42.26 0.032 1 749 1945 65 LYS N N 117.0 0.012 1 750 1946 66 LEU H H 7.441 0.003 1 751 1946 66 LEU HA H 4.203 0.004 1 752 1946 66 LEU HB2 H 1.622 0.003 1 753 1946 66 LEU HB3 H 2.081 0.007 1 754 1946 66 LEU HG H 1.856 0.004 1 755 1946 66 LEU HD1 H 0.964 0.003 2 756 1946 66 LEU HD2 H 0.908 0.005 2 757 1946 66 LEU C C 179.0 0.006 1 758 1946 66 LEU CA C 57.12 0.043 1 759 1946 66 LEU CB C 42.68 0.042 1 760 1946 66 LEU CG C 26.46 0.000 1 761 1946 66 LEU CD1 C 25.50 0.013 1 762 1946 66 LEU CD2 C 23.06 0.049 1 763 1946 66 LEU N N 118.7 0.012 1 764 1947 67 VAL H H 7.677 0.002 1 765 1947 67 VAL HA H 4.148 0.004 1 766 1947 67 VAL HB H 2.241 0.004 1 767 1947 67 VAL HG1 H 0.938 0.003 2 768 1947 67 VAL HG2 H 0.991 0.002 2 769 1947 67 VAL C C 176.6 0.004 1 770 1947 67 VAL CA C 62.75 0.029 1 771 1947 67 VAL CB C 32.62 0.024 1 772 1947 67 VAL CG1 C 21.83 0.044 1 773 1947 67 VAL CG2 C 21.51 0.000 1 774 1947 67 VAL N N 113.8 0.018 1 775 1948 68 GLY H H 7.853 0.002 1 776 1948 68 GLY HA2 H 4.116 0.003 1 777 1948 68 GLY HA3 H 3.876 0.005 2 778 1948 68 GLY C C 174.2 0.003 1 779 1948 68 GLY CA C 46.02 0.027 1 780 1948 68 GLY N N 109.6 0.026 1 781 1949 69 GLU H H 7.751 0.003 1 782 1949 69 GLU HA H 4.156 0.003 1 783 1949 69 GLU HB2 H 2.070 0.007 1 784 1949 69 GLU HB3 H 1.673 0.003 1 785 1949 69 GLU HG2 H 2.156 0.006 2 786 1949 69 GLU C C 180.7 0.000 1 787 1949 69 GLU CA C 57.70 0.030 1 788 1949 69 GLU CB C 31.95 0.045 1 789 1949 69 GLU N N 125.8 0.009 1 stop_ save_