data_27627 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Backbone Assignment Ubl45 domain of USP7 ; _BMRB_accession_number 27627 _BMRB_flat_file_name bmr27627.str _Entry_type original _Submission_date 2018-09-26 _Accession_date 2018-09-26 _Entry_origination author _NMR_STAR_version 2.1.1 _Experimental_method NMR _Details ; Backbone 1H, 13C and 15N Chemical Shift Assignemnt of the last 213 amino acids of USP7, containg Ubiquitin-like domains 4 and 5 as well as the very C-terminal, activating peptide tail. ; loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Kim Robbert Q. . 2 'van Ingen' Hugo . . 3 Sixma Titia K. . 4 Geurink Paul P. . 5 Mulder Monique P.C. . 6 Fish Alexander . . 7 Ekkebus Reggy . . 8 'El Oualid' Farid . . 9 'van Dijk' Willem J. . 10 'van Dalen' Duco . . 11 Ovaa Huib . . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 185 "13C chemical shifts" 573 "15N chemical shifts" 185 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2019-01-18 update BMRB 'update entry citation' 2019-01-14 original author 'original release' stop_ _Original_release_date 2018-09-26 save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full . _Citation_title ; Kinetic analysis of multistep USP7 mechanism shows critical role for target protein in activity. ; _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 30651545 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Kim Robbert Q. . 2 Geurink Paul P. . 3 Mulder Monique . . 4 Fish Alexander . . 5 Ekkebus Reggy . . 6 'El Oualid' Farid . . 7 'van Dijk' Willem J. . 8 'van Dalen' Duco . . 9 Ovaa Huib . . 10 'van Ingen' Hugo . . 11 Sixma Titia K. . stop_ _Journal_abbreviation 'Nat Commun' _Journal_name_full 'Nature communications' _Journal_volume 10 _Journal_issue 1 _Journal_ISSN 2041-1723 _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 231 _Page_last 231 _Year 2019 _Details . save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name Ubl45 _Enzyme_commission_number EC:3.4.19.12 loop_ _Mol_system_component_name _Mol_label Ubl45 $Ubl45 stop_ _System_molecular_weight 26584.4325 _System_physical_state native _System_oligomer_state ? _System_paramagnetic no _System_thiol_state 'all free' _Database_query_date . _Details . save_ ######################## # Monomeric polymers # ######################## save_Ubl45 _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common Ubl45 _Molecular_mass 26584.4325 _Mol_thiol_state 'all free' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 226 _Mol_residue_sequence ; GPLGSPEFPGRLENRRSFKC IWLNSQFREEEITLYPDKHG CVRDLLEECKKAVELGEKAS GKLRLLEIVSYKIIGVHQED ELLECLSPATSRTFRIEEIP LDQVDIDKENEMLVTVAHFH KEVFGTFGIPFLLRIHQGEH FREVMKRIQSLLDIQEKEFE KFKFAIVMTGRHQYINEDEY EVNLKDFEPQPGNMSHPRPW LGLDHFNKAPKRSRYTYLEK AIKIHN ; loop_ _Residue_seq_code _Residue_author_seq_code _Residue_label 1 877 GLY 2 878 PRO 3 879 LEU 4 880 GLY 5 881 SER 6 882 PRO 7 883 GLU 8 884 PHE 9 885 PRO 10 886 GLY 11 887 ARG 12 888 LEU 13 889 GLU 14 890 ASN 15 891 ARG 16 892 ARG 17 893 SER 18 894 PHE 19 895 LYS 20 896 CYS 21 897 ILE 22 898 TRP 23 899 LEU 24 900 ASN 25 901 SER 26 902 GLN 27 903 PHE 28 904 ARG 29 905 GLU 30 906 GLU 31 907 GLU 32 908 ILE 33 909 THR 34 910 LEU 35 911 TYR 36 912 PRO 37 913 ASP 38 914 LYS 39 915 HIS 40 916 GLY 41 917 CYS 42 918 VAL 43 919 ARG 44 920 ASP 45 921 LEU 46 922 LEU 47 923 GLU 48 924 GLU 49 925 CYS 50 926 LYS 51 927 LYS 52 928 ALA 53 929 VAL 54 930 GLU 55 931 LEU 56 932 GLY 57 933 GLU 58 934 LYS 59 935 ALA 60 936 SER 61 937 GLY 62 938 LYS 63 939 LEU 64 940 ARG 65 941 LEU 66 942 LEU 67 943 GLU 68 944 ILE 69 945 VAL 70 946 SER 71 947 TYR 72 948 LYS 73 949 ILE 74 950 ILE 75 951 GLY 76 952 VAL 77 953 HIS 78 954 GLN 79 955 GLU 80 956 ASP 81 957 GLU 82 958 LEU 83 959 LEU 84 960 GLU 85 961 CYS 86 962 LEU 87 963 SER 88 964 PRO 89 965 ALA 90 966 THR 91 967 SER 92 968 ARG 93 969 THR 94 970 PHE 95 971 ARG 96 972 ILE 97 973 GLU 98 974 GLU 99 975 ILE 100 976 PRO 101 977 LEU 102 978 ASP 103 979 GLN 104 980 VAL 105 981 ASP 106 982 ILE 107 983 ASP 108 984 LYS 109 985 GLU 110 986 ASN 111 987 GLU 112 988 MET 113 989 LEU 114 990 VAL 115 991 THR 116 992 VAL 117 993 ALA 118 994 HIS 119 995 PHE 120 996 HIS 121 997 LYS 122 998 GLU 123 999 VAL 124 1000 PHE 125 1001 GLY 126 1002 THR 127 1003 PHE 128 1004 GLY 129 1005 ILE 130 1006 PRO 131 1007 PHE 132 1008 LEU 133 1009 LEU 134 1010 ARG 135 1011 ILE 136 1012 HIS 137 1013 GLN 138 1014 GLY 139 1015 GLU 140 1016 HIS 141 1017 PHE 142 1018 ARG 143 1019 GLU 144 1020 VAL 145 1021 MET 146 1022 LYS 147 1023 ARG 148 1024 ILE 149 1025 GLN 150 1026 SER 151 1027 LEU 152 1028 LEU 153 1029 ASP 154 1030 ILE 155 1031 GLN 156 1032 GLU 157 1033 LYS 158 1034 GLU 159 1035 PHE 160 1036 GLU 161 1037 LYS 162 1038 PHE 163 1039 LYS 164 1040 PHE 165 1041 ALA 166 1042 ILE 167 1043 VAL 168 1044 MET 169 1045 THR 170 1046 GLY 171 1047 ARG 172 1048 HIS 173 1049 GLN 174 1050 TYR 175 1051 ILE 176 1052 ASN 177 1053 GLU 178 1054 ASP 179 1055 GLU 180 1056 TYR 181 1057 GLU 182 1058 VAL 183 1059 ASN 184 1060 LEU 185 1061 LYS 186 1062 ASP 187 1063 PHE 188 1064 GLU 189 1065 PRO 190 1066 GLN 191 1067 PRO 192 1068 GLY 193 1069 ASN 194 1070 MET 195 1071 SER 196 1072 HIS 197 1073 PRO 198 1074 ARG 199 1075 PRO 200 1076 TRP 201 1077 LEU 202 1078 GLY 203 1079 LEU 204 1080 ASP 205 1081 HIS 206 1082 PHE 207 1083 ASN 208 1084 LYS 209 1085 ALA 210 1086 PRO 211 1087 LYS 212 1088 ARG 213 1089 SER 214 1090 ARG 215 1091 TYR 216 1092 THR 217 1093 TYR 218 1094 LEU 219 1095 GLU 220 1096 LYS 221 1097 ALA 222 1098 ILE 223 1099 LYS 224 1100 ILE 225 1101 HIS 226 1102 ASN 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 $Ubl45 Human 9606 Eukaryota Metazoa Homo sapiens stop_ save_ ######################### # Experimental source # ######################### save_experimental_source _Saveframe_category experimental_source loop_ _Mol_label _Production_method _Host_organism_name_common _Genus _Species _Strain _Vector_name $Ubl45 'recombinant technology' 'Escherichia coli' Escherichia coli 'BL21 (DE3)' pGEX6p-1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $Ubl45 180 uM '[U-13C; U-15N; U-2H]' HEPES 50 mM 'natural abundance' 'sodium chloride' 100 mM 'natural abundance' DTT 1 mM 'natural abundance' stop_ save_ ############################ # Computer software used # ############################ save_CcpNmr_Analysis _Saveframe_category software _Name CcpNmr_Analysis _Version 2.4 loop_ _Vendor _Address _Electronic_address CCPN 'Department of Biochemistry, Cambridge CB2 1GA, UK' http://www.ccpn.ac.uk stop_ loop_ _Task 'chemical shift assignment' collection stop_ _Details 'The CCPN NMR assignment and data analysis application' save_ save_Biospin _Saveframe_category software _Name Biospin _Version 2.4 loop_ _Vendor _Address _Electronic_address 'Bruker Biospin' . . stop_ loop_ _Task 'chemical shift assignment' collection stop_ _Details 'The CCPN NMR assignment and data analysis application' save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model Avance _Field_strength 850 _Details 'Bruker Avance III HD spectrometer' save_ ############################# # NMR applied experiments # ############################# save_2D_1H-15N_HSQC/HMQC_1 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-15N HSQC/HMQC' _Sample_label $sample_1 save_ save_3D_HNCA_2 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCA' _Sample_label $sample_1 save_ save_3D_HNCACB_3 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCACB' _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_HNcoCB_2_(H[N[co[{CA|ca[C]}]]])_5 _Saveframe_category NMR_applied_experiment _Experiment_name 'HNcoCB_2 (H[N[co[{CA|ca[C]}]]])' _Sample_label $sample_1 save_ save_3D_HNCO_6 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCO' _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' 0.1 . M pH 7.5 . pH pressure 1 . atm temperature 298 . 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 _Saveframe_category assigned_chemical_shifts _Details . loop_ _Software_label $CcpNmr_Analysis stop_ loop_ _Experiment_label '2D 1H-15N HSQC/HMQC' '3D HNCA' '3D HNCACB' '3D HN(CO)CA' 'HNcoCB_2 (H[N[co[{CA|ca[C]}]]])' '3D HNCO' 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 Ubl45 _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 1 878 2 PRO C C 177.084 . 1 2 878 2 PRO CA C 62.707 0.002 1 3 878 2 PRO CB C 31.493 0.013 1 4 879 3 LEU H H 8.379 0.003 1 5 879 3 LEU C C 177.979 . 1 6 879 3 LEU CA C 55.063 0.009 1 7 879 3 LEU CB C 41.238 0.017 1 8 879 3 LEU N N 122.633 0.012 1 9 880 4 GLY H H 8.267 0.002 1 10 880 4 GLY C C 173.862 . 1 11 880 4 GLY CA C 44.666 0.005 1 12 880 4 GLY N N 110.122 0.017 1 13 881 5 SER H H 8.003 0.003 1 14 881 5 SER CA C 56.113 . 1 15 881 5 SER CB C 62.502 . 1 16 881 5 SER N N 117.282 0.014 1 17 885 9 PRO C C 177.511 . 1 18 885 9 PRO CA C 63.23 . 1 19 885 9 PRO CB C 31.026 0 1 20 886 10 GLY H H 7.937 0.004 1 21 886 10 GLY C C 174.263 . 1 22 886 10 GLY CA C 44.959 0.001 1 23 886 10 GLY N N 108.705 0.004 1 24 887 11 ARG H H 7.897 0.003 1 25 887 11 ARG C C 176.691 . 1 26 887 11 ARG CA C 56.078 0.005 1 27 887 11 ARG CB C 29.704 0.033 1 28 887 11 ARG N N 120.574 0.033 1 29 888 12 LEU H H 8.154 0.007 1 30 888 12 LEU C C 177.758 . 1 31 888 12 LEU CA C 55.029 0.003 1 32 888 12 LEU CB C 41.037 0.01 1 33 888 12 LEU N N 122.908 0.014 1 34 889 13 GLU H H 8.339 0.003 1 35 889 13 GLU C C 176.012 . 1 36 889 13 GLU CA C 57.01 0.057 1 37 889 13 GLU CB C 29.519 0.077 1 38 889 13 GLU N N 120.85 0.008 1 39 890 14 ASN H H 8.149 0.002 1 40 890 14 ASN C C 174.593 . 1 41 890 14 ASN CA C 54.913 . 1 42 890 14 ASN CB C 38.494 0.033 1 43 890 14 ASN N N 120.753 0.015 1 44 891 15 ARG H H 7.859 0.002 1 45 891 15 ARG C C 175.642 . 1 46 891 15 ARG CA C 54.219 0.008 1 47 891 15 ARG CB C 30.661 0.041 1 48 891 15 ARG N N 118.901 0.013 1 49 892 16 ARG H H 8.373 0.002 1 50 892 16 ARG C C 174.77 . 1 51 892 16 ARG CA C 53.654 0.016 1 52 892 16 ARG CB C 31.317 0.055 1 53 892 16 ARG N N 122.211 0.013 1 54 893 17 SER H H 8.347 0.003 1 55 893 17 SER C C 175.184 . 1 56 893 17 SER CA C 57.824 0.015 1 57 893 17 SER CB C 62.81 0.033 1 58 893 17 SER N N 119.666 0.032 1 59 894 18 PHE H H 8.834 0.002 1 60 894 18 PHE C C 172.664 . 1 61 894 18 PHE CA C 57.164 0.005 1 62 894 18 PHE N N 123.858 0.012 1 63 895 19 LYS H H 8.471 0.002 1 64 895 19 LYS C C 176.777 . 1 65 895 19 LYS CA C 56.106 0.019 1 66 895 19 LYS CB C 31.336 0.036 1 67 895 19 LYS N N 128.64 0.01 1 68 896 20 CYS H H 8.934 0.003 1 69 896 20 CYS C C 172.44 . 1 70 896 20 CYS CA C 56.871 0.008 1 71 896 20 CYS CB C 31.743 0.087 1 72 896 20 CYS N N 124.36 0.019 1 73 897 21 ILE H H 8.779 0.003 1 74 897 21 ILE C C 174.937 . 1 75 897 21 ILE CA C 57.852 0.015 1 76 897 21 ILE CB C 38.324 0.012 1 77 897 21 ILE N N 121.677 0.014 1 78 898 22 TRP H H 9.412 0.003 1 79 898 22 TRP C C 173.761 . 1 80 898 22 TRP CA C 54.193 0.015 1 81 898 22 TRP CB C 31.547 0.02 1 82 898 22 TRP N N 129.206 0.039 1 83 899 23 LEU H H 7.862 0.002 1 84 899 23 LEU C C 173.378 . 1 85 899 23 LEU CA C 51.942 0.009 1 86 899 23 LEU CB C 43.438 0.102 1 87 899 23 LEU N N 131.646 0.01 1 88 900 24 ASN H H 7.507 0.002 1 89 900 24 ASN C C 177.526 . 1 90 900 24 ASN CA C 50.773 0.006 1 91 900 24 ASN CB C 38.61 0.034 1 92 900 24 ASN N N 122.411 0.076 1 93 901 25 SER H H 8.308 0.003 1 94 901 25 SER C C 175.144 . 1 95 901 25 SER CA C 60.717 0.012 1 96 901 25 SER CB C 62.655 . 1 97 901 25 SER N N 113.123 0.011 1 98 902 26 GLN H H 7.537 0.001 1 99 902 26 GLN C C 174.839 . 1 100 902 26 GLN CA C 55.075 0.006 1 101 902 26 GLN CB C 27.649 0.016 1 102 902 26 GLN N N 119.887 0.015 1 103 903 27 PHE H H 8.212 0.002 1 104 903 27 PHE C C 173.565 . 1 105 903 27 PHE CA C 59.744 0.035 1 106 903 27 PHE CB C 35.837 0.105 1 107 903 27 PHE N N 117.39 0.001 1 108 904 28 ARG H H 7.31 0.003 1 109 904 28 ARG C C 175.976 . 1 110 904 28 ARG CA C 54.127 0.007 1 111 904 28 ARG CB C 30.791 0.033 1 112 904 28 ARG N N 115.902 0.009 1 113 905 29 GLU H H 8.439 0.001 1 114 905 29 GLU C C 176.724 . 1 115 905 29 GLU CA C 55.519 0 1 116 905 29 GLU CB C 31.993 0.038 1 117 905 29 GLU N N 123.469 0.012 1 118 906 30 GLU H H 9.073 0.003 1 119 906 30 GLU C C 174.831 . 1 120 906 30 GLU CA C 54.726 0.005 1 121 906 30 GLU CB C 32.744 0.048 1 122 906 30 GLU N N 123.511 0.018 1 123 907 31 GLU H H 8.744 0.002 1 124 907 31 GLU C C 175.88 . 1 125 907 31 GLU CA C 56.655 0.01 1 126 907 31 GLU CB C 29.887 0.014 1 127 907 31 GLU N N 125.319 0.016 1 128 908 32 ILE H H 8.881 0.002 1 129 908 32 ILE C C 173.299 . 1 130 908 32 ILE CA C 59.826 0.002 1 131 908 32 ILE CB C 41.731 0.017 1 132 908 32 ILE N N 123.966 0.014 1 133 909 33 THR H H 8.164 0.001 1 134 909 33 THR C C 172.467 . 1 135 909 33 THR CA C 61.801 0.008 1 136 909 33 THR CB C 68.567 0.003 1 137 909 33 THR N N 120.645 0.021 1 138 910 34 LEU H H 8.148 0.002 1 139 910 34 LEU C C 174.783 . 1 140 910 34 LEU CA C 51.947 0.011 1 141 910 34 LEU CB C 44.24 0.008 1 142 910 34 LEU N N 126.805 0.009 1 143 911 35 TYR H H 9.018 0.002 1 144 911 35 TYR CA C 54.882 . 1 145 911 35 TYR CB C 38.173 . 1 146 911 35 TYR N N 116.426 0.019 1 147 912 36 PRO C C 174.824 . 1 148 912 36 PRO CA C 62.05 0.006 1 149 912 36 PRO CB C 31.555 0.069 1 150 913 37 ASP H H 8.512 0.002 1 151 913 37 ASP C C 177.684 . 1 152 913 37 ASP CA C 54.986 0.003 1 153 913 37 ASP CB C 42.148 0.048 1 154 913 37 ASP N N 119.629 0.019 1 155 914 38 LYS H H 8.411 0.003 1 156 914 38 LYS C C 177.303 . 1 157 914 38 LYS CA C 58.526 0.014 1 158 914 38 LYS CB C 31.486 0.029 1 159 914 38 LYS N N 124.662 0.009 1 160 915 39 HIS H H 8.563 0.005 1 161 915 39 HIS C C 175.098 . 1 162 915 39 HIS CA C 55.265 0.001 1 163 915 39 HIS CB C 28.035 0.018 1 164 915 39 HIS N N 118.432 0.032 1 165 916 40 GLY H H 7.664 0.003 1 166 916 40 GLY C C 173.141 . 1 167 916 40 GLY CA C 44.214 0.013 1 168 916 40 GLY N N 105.727 0.008 1 169 917 41 CYS H H 9.678 0.003 1 170 917 41 CYS C C 175.96 . 1 171 917 41 CYS CA C 56.349 0.012 1 172 917 41 CYS CB C 32.184 0.042 1 173 917 41 CYS N N 117.115 0.028 1 174 918 42 VAL H H 8.849 0.002 1 175 918 42 VAL C C 177.929 . 1 176 918 42 VAL CA C 67.47 0.01 1 177 918 42 VAL CB C 30.715 0.087 1 178 918 42 VAL N N 124.848 0.009 1 179 919 43 ARG H H 9.107 0.003 1 180 919 43 ARG C C 177.297 . 1 181 919 43 ARG CA C 59.765 0.004 1 182 919 43 ARG CB C 29.779 0.05 1 183 919 43 ARG N N 119.63 0.036 1 184 920 44 ASP H H 7.469 0.003 1 185 920 44 ASP C C 179.192 . 1 186 920 44 ASP CA C 57.575 0.008 1 187 920 44 ASP CB C 40.324 0.03 1 188 920 44 ASP N N 118.258 0.011 1 189 921 45 LEU H H 7.343 0.002 1 190 921 45 LEU C C 177.914 . 1 191 921 45 LEU CA C 57.958 0.008 1 192 921 45 LEU CB C 41.854 0.007 1 193 921 45 LEU N N 121.901 0.011 1 194 922 46 LEU H H 8.27 0.002 1 195 922 46 LEU C C 179.327 . 1 196 922 46 LEU CA C 57.609 0.009 1 197 922 46 LEU CB C 39.312 0.068 1 198 922 46 LEU N N 117.706 0.01 1 199 923 47 GLU H H 8.302 0.002 1 200 923 47 GLU C C 179.956 . 1 201 923 47 GLU CA C 58.823 0.006 1 202 923 47 GLU CB C 28.553 0.062 1 203 923 47 GLU N N 119.215 0.019 1 204 924 48 GLU H H 7.713 0.002 1 205 924 48 GLU C C 178.981 . 1 206 924 48 GLU CA C 58.16 0.002 1 207 924 48 GLU CB C 28.433 0.034 1 208 924 48 GLU N N 118.225 0.016 1 209 925 49 CYS H H 7.98 0.003 1 210 925 49 CYS C C 176.093 . 1 211 925 49 CYS CA C 62.475 0.02 1 212 925 49 CYS CB C 25.968 0.024 1 213 925 49 CYS N N 121.221 0.034 1 214 926 50 LYS H H 7.837 0.004 1 215 926 50 LYS C C 177.044 . 1 216 926 50 LYS CA C 59.342 0.001 1 217 926 50 LYS CB C 31.708 0.046 1 218 926 50 LYS N N 117.243 0.009 1 219 927 51 LYS H H 6.882 0.003 1 220 927 51 LYS C C 177.172 . 1 221 927 51 LYS CA C 57.341 0.004 1 222 927 51 LYS CB C 32.133 0.099 1 223 927 51 LYS N N 113.581 0.002 1 224 928 52 ALA H H 7.487 0.002 1 225 928 52 ALA C C 177.544 . 1 226 928 52 ALA CA C 52.604 0.017 1 227 928 52 ALA CB C 20.608 0.073 1 228 928 52 ALA N N 120.945 0.022 1 229 929 53 VAL H H 6.966 0.003 1 230 929 53 VAL C C 174.426 . 1 231 929 53 VAL CA C 58.91 0.003 1 232 929 53 VAL CB C 33.931 0.038 1 233 929 53 VAL N N 111.167 0.026 1 234 930 54 GLU H H 7.791 0.002 1 235 930 54 GLU C C 176.225 . 1 236 930 54 GLU CA C 54.91 0.002 1 237 930 54 GLU CB C 29.522 0.021 1 238 930 54 GLU N N 119.935 0.013 1 239 931 55 LEU H H 8.251 0.004 1 240 931 55 LEU C C 178.073 . 1 241 931 55 LEU CA C 54.424 0.011 1 242 931 55 LEU CB C 41.016 0.008 1 243 931 55 LEU N N 125.927 0.008 1 244 932 56 GLY H H 9.562 0.003 1 245 932 56 GLY C C 174.854 . 1 246 932 56 GLY CA C 44.734 0.003 1 247 932 56 GLY N N 109.644 0.039 1 248 933 57 GLU H H 8.512 0.002 1 249 933 57 GLU C C 177.143 . 1 250 933 57 GLU CA C 57.133 0.002 1 251 933 57 GLU CB C 29.265 0.005 1 252 933 57 GLU N N 122.345 0.018 1 253 934 58 LYS H H 8.581 0.002 1 254 934 58 LYS C C 175.525 . 1 255 934 58 LYS CA C 55.678 0.003 1 256 934 58 LYS CB C 30.684 0.034 1 257 934 58 LYS N N 120.654 0.015 1 258 935 59 ALA H H 7.585 0.002 1 259 935 59 ALA C C 176.996 . 1 260 935 59 ALA CA C 51.006 0.008 1 261 935 59 ALA CB C 18.917 0.004 1 262 935 59 ALA N N 124.042 0.016 1 263 936 60 SER H H 8.266 0.003 1 264 936 60 SER C C 176.305 . 1 265 936 60 SER CA C 60.477 0.013 1 266 936 60 SER CB C 63.954 0.041 1 267 936 60 SER N N 114.619 0.034 1 268 937 61 GLY H H 9.753 0.003 1 269 937 61 GLY C C 172.914 . 1 270 937 61 GLY CA C 45.484 0.003 1 271 937 61 GLY N N 114.358 0.029 1 272 938 62 LYS H H 8.143 0.002 1 273 938 62 LYS C C 176.303 . 1 274 938 62 LYS CA C 54.341 0.012 1 275 938 62 LYS CB C 34.049 0.01 1 276 938 62 LYS N N 120.562 0.009 1 277 939 63 LEU H H 8.526 0.004 1 278 939 63 LEU C C 175.831 . 1 279 939 63 LEU CA C 52.807 0.012 1 280 939 63 LEU CB C 44.696 0.02 1 281 939 63 LEU N N 122.274 0.037 1 282 940 64 ARG H H 8.719 0.002 1 283 940 64 ARG C C 172.084 . 1 284 940 64 ARG CA C 54.028 0.01 1 285 940 64 ARG CB C 32.978 0.062 1 286 940 64 ARG N N 114.116 0.018 1 287 941 65 LEU H H 8.868 0.003 1 288 941 65 LEU C C 174.07 . 1 289 941 65 LEU CA C 53.088 0.015 1 290 941 65 LEU CB C 44.205 0.077 1 291 941 65 LEU N N 121.075 0.013 1 292 942 66 LEU H H 9.91 0.002 1 293 942 66 LEU C C 175.37 . 1 294 942 66 LEU CA C 53.207 0.039 1 295 942 66 LEU CB C 44.581 0.048 1 296 942 66 LEU N N 128.099 0.004 1 297 943 67 GLU H H 8.456 0.003 1 298 943 67 GLU C C 174.393 . 1 299 943 67 GLU CA C 54.065 0.005 1 300 943 67 GLU CB C 33.005 0.03 1 301 943 67 GLU N N 122.333 0.02 1 302 944 68 ILE H H 9.007 0.001 1 303 944 68 ILE C C 174.977 . 1 304 944 68 ILE CA C 59.374 0.014 1 305 944 68 ILE CB C 40.647 0.034 1 306 944 68 ILE N N 129.965 0.013 1 307 945 69 VAL H H 8.48 0.003 1 308 945 69 VAL C C 176.015 . 1 309 945 69 VAL CA C 61.149 0 1 310 945 69 VAL CB C 35.119 0.041 1 311 945 69 VAL N N 126.54 0.013 1 312 946 70 SER H H 9.077 0.003 1 313 946 70 SER C C 174.535 . 1 314 946 70 SER CA C 58.552 0.015 1 315 946 70 SER CB C 59.725 . 1 316 946 70 SER N N 125.051 0.015 1 317 947 71 TYR H H 8.112 0.001 1 318 947 71 TYR C C 172.447 . 1 319 947 71 TYR CA C 59.262 0.018 1 320 947 71 TYR CB C 34.369 0.167 1 321 947 71 TYR N N 110.256 0.001 1 322 948 72 LYS H H 7.246 0.004 1 323 948 72 LYS C C 175.339 . 1 324 948 72 LYS CA C 54.059 0.005 1 325 948 72 LYS CB C 33.894 0.042 1 326 948 72 LYS N N 115.481 0.021 1 327 949 73 ILE H H 8.439 0.002 1 328 949 73 ILE C C 176.349 . 1 329 949 73 ILE CA C 61.742 0.019 1 330 949 73 ILE CB C 37.654 0.031 1 331 949 73 ILE N N 122.088 0.02 1 332 950 74 ILE H H 8.964 0.001 1 333 950 74 ILE C C 176.605 . 1 334 950 74 ILE CA C 60.071 0.004 1 335 950 74 ILE CB C 38.152 0.036 1 336 950 74 ILE N N 124.839 0.013 1 337 951 75 GLY H H 7.27 0.004 1 338 951 75 GLY C C 170.347 . 1 339 951 75 GLY CA C 45.248 0.02 1 340 951 75 GLY N N 108.511 0.001 1 341 952 76 VAL H H 8.152 0.002 1 342 952 76 VAL C C 176.714 . 1 343 952 76 VAL CA C 61.006 0.001 1 344 952 76 VAL CB C 32.352 0.048 1 345 952 76 VAL N N 122.792 0.036 1 346 953 77 HIS H H 8.612 0.002 1 347 953 77 HIS C C 174.365 . 1 348 953 77 HIS CA C 56.293 0.018 1 349 953 77 HIS CB C 30.346 0.091 1 350 953 77 HIS N N 124.993 0.026 1 351 954 78 GLN H H 8.911 0.003 1 352 954 78 GLN C C 177.537 . 1 353 954 78 GLN CA C 54.888 0.003 1 354 954 78 GLN CB C 29.155 0.024 1 355 954 78 GLN N N 123.349 0.012 1 356 955 79 GLU H H 8.804 0.003 1 357 955 79 GLU C C 176.308 . 1 358 955 79 GLU CA C 59.725 0.008 1 359 955 79 GLU CB C 29.412 0.06 1 360 955 79 GLU N N 118.511 0.033 1 361 956 80 ASP H H 8.212 0.003 1 362 956 80 ASP C C 176.417 . 1 363 956 80 ASP CA C 53.469 0.005 1 364 956 80 ASP CB C 39.862 0.052 1 365 956 80 ASP N N 113.988 0.011 1 366 957 81 GLU H H 7.356 0.003 1 367 957 81 GLU C C 176.506 . 1 368 957 81 GLU CA C 56.334 0.011 1 369 957 81 GLU CB C 29.77 0.006 1 370 957 81 GLU N N 121.586 0.042 1 371 958 82 LEU H H 8.62 0.002 1 372 958 82 LEU C C 178.696 . 1 373 958 82 LEU CA C 55.005 0.008 1 374 958 82 LEU CB C 40.967 0.026 1 375 958 82 LEU N N 124.146 0.03 1 376 959 83 LEU H H 8.484 0.002 1 377 959 83 LEU C C 179.949 . 1 378 959 83 LEU CA C 56.767 0.01 1 379 959 83 LEU CB C 39.416 0.017 1 380 959 83 LEU N N 122.44 0.009 1 381 960 84 GLU H H 8.481 0.003 1 382 960 84 GLU C C 176.763 . 1 383 960 84 GLU CA C 57.348 0.017 1 384 960 84 GLU CB C 29.103 0.011 1 385 960 84 GLU N N 116.756 0.017 1 386 961 85 CYS H H 7.405 0.001 1 387 961 85 CYS C C 175.239 . 1 388 961 85 CYS CA C 59.162 0.026 1 389 961 85 CYS CB C 27.825 0.058 1 390 961 85 CYS N N 115.87 0.01 1 391 962 86 LEU H H 7.198 0.002 1 392 962 86 LEU C C 177.347 . 1 393 962 86 LEU CA C 54.187 0.006 1 394 962 86 LEU CB C 39.546 0.039 1 395 962 86 LEU N N 121.209 0.035 1 396 963 87 SER H H 8.933 0.003 1 397 963 87 SER CA C 56.909 . 1 398 963 87 SER CB C 63.067 . 1 399 963 87 SER N N 119.502 0.007 1 400 964 88 PRO C C 177.17 . 1 401 964 88 PRO CA C 62.675 0.007 1 402 964 88 PRO CB C 31.207 0.017 1 403 965 89 ALA H H 8.271 0.003 1 404 965 89 ALA CA C 52.547 . 1 405 965 89 ALA CB C 18.352 . 1 406 965 89 ALA N N 125.542 0.022 1 407 970 94 PHE C C 173.704 . 1 408 970 94 PHE CA C 56.835 0.02 1 409 970 94 PHE CB C 39.71 0.028 1 410 971 95 ARG H H 9.019 0.003 1 411 971 95 ARG C C 173.524 . 1 412 971 95 ARG CA C 53.022 0.025 1 413 971 95 ARG CB C 36.676 0.065 1 414 971 95 ARG N N 126.103 0.028 1 415 972 96 ILE H H 9.642 0.002 1 416 972 96 ILE C C 172.984 . 1 417 972 96 ILE CA C 59.485 0.008 1 418 972 96 ILE CB C 39.458 0.046 1 419 972 96 ILE N N 128.774 0.026 1 420 973 97 GLU H H 8.105 0.003 1 421 973 97 GLU C C 173.928 . 1 422 973 97 GLU CA C 53.103 0.006 1 423 973 97 GLU CB C 32.687 0.024 1 424 973 97 GLU N N 119.222 0.04 1 425 974 98 GLU H H 8.965 0.002 1 426 974 98 GLU C C 176.788 . 1 427 974 98 GLU CA C 54.799 0.002 1 428 974 98 GLU CB C 30.664 0.028 1 429 974 98 GLU N N 122.932 0.015 1 430 975 99 ILE H H 8.979 0.003 1 431 975 99 ILE CA C 60.694 . 1 432 975 99 ILE CB C 38.223 . 1 433 975 99 ILE N N 127.884 0.015 1 434 976 100 PRO C C 177.697 . 1 435 976 100 PRO CA C 62.765 0.006 1 436 976 100 PRO CB C 32.386 0.018 1 437 977 101 LEU H H 8.76 0.002 1 438 977 101 LEU C C 178.651 . 1 439 977 101 LEU CA C 58.091 0.018 1 440 977 101 LEU CB C 41.315 0.044 1 441 977 101 LEU N N 122.42 0.008 1 442 978 102 ASP H H 8.325 0.003 1 443 978 102 ASP C C 175.52 . 1 444 978 102 ASP CA C 54.948 0.005 1 445 978 102 ASP CB C 39.649 0.044 1 446 978 102 ASP N N 113.994 0.024 1 447 979 103 GLN H H 7.704 0.003 1 448 979 103 GLN C C 174.957 . 1 449 979 103 GLN CA C 54.471 0.009 1 450 979 103 GLN CB C 27.794 0.011 1 451 979 103 GLN N N 115.614 0.014 1 452 980 104 VAL H H 6.9 0.003 1 453 980 104 VAL C C 175.671 . 1 454 980 104 VAL CA C 64.69 0.004 1 455 980 104 VAL CB C 31.761 0.073 1 456 980 104 VAL N N 120.28 0.012 1 457 981 105 ASP H H 8.341 0.002 1 458 981 105 ASP C C 174.748 . 1 459 981 105 ASP CA C 53.089 0.002 1 460 981 105 ASP CB C 40.67 0.049 1 461 981 105 ASP N N 122.133 0.015 1 462 982 106 ILE H H 7.645 0.002 1 463 982 106 ILE C C 175.586 . 1 464 982 106 ILE CA C 60.175 0.006 1 465 982 106 ILE CB C 37.693 0.008 1 466 982 106 ILE N N 116.828 0.013 1 467 983 107 ASP H H 8.797 0.004 1 468 983 107 ASP C C 176.76 . 1 469 983 107 ASP CA C 52.975 0.004 1 470 983 107 ASP CB C 40.423 0.018 1 471 983 107 ASP N N 123.764 0.022 1 472 984 108 LYS H H 8.347 0.002 1 473 984 108 LYS C C 177.626 . 1 474 984 108 LYS CA C 58.043 0.008 1 475 984 108 LYS CB C 31.354 0.054 1 476 984 108 LYS N N 124.823 0.01 1 477 985 109 GLU H H 8.046 0.003 1 478 985 109 GLU C C 177.448 . 1 479 985 109 GLU CA C 57.358 0.01 1 480 985 109 GLU CB C 29.866 0.021 1 481 985 109 GLU N N 116.592 0.034 1 482 986 110 ASN H H 7.408 0.004 1 483 986 110 ASN C C 173.082 . 1 484 986 110 ASN CA C 52.925 0.016 1 485 986 110 ASN CB C 41.299 0.053 1 486 986 110 ASN N N 112.88 0.067 1 487 987 111 GLU H H 8.018 0.004 1 488 987 111 GLU C C 174.019 . 1 489 987 111 GLU CA C 53.964 0.008 1 490 987 111 GLU CB C 34.059 0.03 1 491 987 111 GLU N N 118.589 0.039 1 492 988 112 MET H H 8.013 0.002 1 493 988 112 MET C C 173.366 . 1 494 988 112 MET CA C 54.286 0.002 1 495 988 112 MET CB C 37.017 0.006 1 496 988 112 MET N N 114.311 0.025 1 497 989 113 LEU H H 8.422 0.002 1 498 989 113 LEU C C 176.228 . 1 499 989 113 LEU CA C 52.762 0.017 1 500 989 113 LEU CB C 40.623 0.055 1 501 989 113 LEU N N 119.584 0.019 1 502 990 114 VAL H H 9.046 0.002 1 503 990 114 VAL C C 174.484 . 1 504 990 114 VAL CA C 58.653 0.019 1 505 990 114 VAL CB C 34.108 0.032 1 506 990 114 VAL N N 121.439 0.033 1 507 991 115 THR H H 8.382 0.002 1 508 991 115 THR C C 173.037 . 1 509 991 115 THR CA C 60.654 0.039 1 510 991 115 THR CB C 69.138 0.014 1 511 991 115 THR N N 114.753 0.028 1 512 992 116 VAL H H 8.548 0.003 1 513 992 116 VAL C C 177.048 . 1 514 992 116 VAL CA C 59.074 0.018 1 515 992 116 VAL CB C 31.975 0.015 1 516 992 116 VAL N N 123.606 0.024 1 517 993 117 ALA H H 8.63 0.004 1 518 993 117 ALA C C 174.973 . 1 519 993 117 ALA CA C 50.302 0.009 1 520 993 117 ALA CB C 22.559 0.076 1 521 993 117 ALA N N 128.207 0.012 1 522 994 118 HIS H H 8.885 0.004 1 523 994 118 HIS C C 174.817 . 1 524 994 118 HIS CA C 54.15 0.021 1 525 994 118 HIS CB C 29.465 0.026 1 526 994 118 HIS N N 121.66 0.037 1 527 995 119 PHE H H 8.98 0.002 1 528 995 119 PHE CA C 55.777 . 1 529 995 119 PHE CB C 40.337 . 1 530 995 119 PHE N N 117.791 0.029 1 531 998 122 GLU C C 177.947 . 1 532 998 122 GLU CA C 53.5 0.013 1 533 998 122 GLU CB C 30.869 0.054 1 534 999 123 VAL H H 8.026 0.002 1 535 999 123 VAL CA C 63.603 . 1 536 999 123 VAL CB C 29.927 . 1 537 999 123 VAL N N 118.569 0.033 1 538 1000 124 PHE C C 177.429 . 1 539 1000 124 PHE CA C 56.751 0.001 1 540 1000 124 PHE CB C 37.502 0.071 1 541 1001 125 GLY H H 8.292 0.003 1 542 1001 125 GLY C C 176.79 . 1 543 1001 125 GLY CA C 46.827 0.011 1 544 1001 125 GLY N N 114.853 0.021 1 545 1002 126 THR H H 7.479 0.002 1 546 1002 126 THR C C 174.919 . 1 547 1002 126 THR CA C 60.007 0.011 1 548 1002 126 THR CB C 70.4 0.032 1 549 1002 126 THR N N 111.78 0.009 1 550 1003 127 PHE H H 7.689 0.003 1 551 1003 127 PHE C C 173.606 . 1 552 1003 127 PHE CA C 55.601 0.009 1 553 1003 127 PHE CB C 39.634 0.054 1 554 1003 127 PHE N N 115.288 0.028 1 555 1004 128 GLY H H 8.149 0.002 1 556 1004 128 GLY C C 173.04 . 1 557 1004 128 GLY CA C 44.957 0.009 1 558 1004 128 GLY N N 107.31 0.009 1 559 1005 129 ILE H H 7.79 0.002 1 560 1005 129 ILE CA C 58.247 . 1 561 1005 129 ILE CB C 39.001 . 1 562 1005 129 ILE N N 121.013 0.008 1 563 1006 130 PRO C C 176.726 . 1 564 1006 130 PRO CA C 62.312 . 1 565 1006 130 PRO CB C 32.968 . 1 566 1007 131 PHE H H 8.113 0.003 1 567 1007 131 PHE C C 172.736 . 1 568 1007 131 PHE CA C 56.432 0.017 1 569 1007 131 PHE CB C 39.353 . 1 570 1007 131 PHE N N 113.344 0.006 1 571 1008 132 LEU H H 8.938 0.003 1 572 1008 132 LEU C C 176.46 . 1 573 1008 132 LEU CA C 53.585 0.013 1 574 1008 132 LEU CB C 43.157 0.061 1 575 1008 132 LEU N N 119.469 0.026 1 576 1009 133 LEU H H 8.876 0.002 1 577 1009 133 LEU C C 174.221 . 1 578 1009 133 LEU CA C 52.908 0.013 1 579 1009 133 LEU CB C 47.63 0.031 1 580 1009 133 LEU N N 123.981 0.027 1 581 1010 134 ARG H H 8.078 0.002 1 582 1010 134 ARG C C 174.933 . 1 583 1010 134 ARG CA C 55.481 0.021 1 584 1010 134 ARG CB C 31.458 0.035 1 585 1010 134 ARG N N 127.96 0.023 1 586 1011 135 ILE H H 8.451 0.002 1 587 1011 135 ILE C C 173.377 . 1 588 1011 135 ILE CA C 59.945 0.032 1 589 1011 135 ILE CB C 41.136 0.01 1 590 1011 135 ILE N N 119.288 0.022 1 591 1012 136 HIS H H 8.982 0.002 1 592 1012 136 HIS C C 173.804 . 1 593 1012 136 HIS CA C 53.294 0.013 1 594 1012 136 HIS CB C 32.143 0.086 1 595 1012 136 HIS N N 122.637 0.018 1 596 1013 137 GLN H H 8.693 0.003 1 597 1013 137 GLN C C 177.276 . 1 598 1013 137 GLN CA C 57.353 0.01 1 599 1013 137 GLN CB C 27.472 0.094 1 600 1013 137 GLN N N 127.541 0.024 1 601 1014 138 GLY H H 9.27 0.005 1 602 1014 138 GLY C C 173.757 . 1 603 1014 138 GLY CA C 44.933 0.006 1 604 1014 138 GLY N N 117.55 0.039 1 605 1015 139 GLU H H 7.756 0.003 1 606 1015 139 GLU C C 175.047 . 1 607 1015 139 GLU CA C 54.868 0.021 1 608 1015 139 GLU CB C 29.534 0.044 1 609 1015 139 GLU N N 120.8 0.022 1 610 1016 140 HIS H H 9.009 0.002 1 611 1016 140 HIS C C 178.062 . 1 612 1016 140 HIS CA C 58.706 0.011 1 613 1016 140 HIS CB C 30.147 0.01 1 614 1016 140 HIS N N 124.194 0.064 1 615 1017 141 PHE H H 8.784 0.006 1 616 1017 141 PHE CA C 62.853 . 1 617 1017 141 PHE CB C 38.487 . 1 618 1017 141 PHE N N 129.013 0.014 1 619 1018 142 ARG C C 180.243 . 1 620 1018 142 ARG CA C 59.255 0.022 1 621 1018 142 ARG CB C 28.877 0 1 622 1019 143 GLU H H 8.078 0.004 1 623 1019 143 GLU C C 179.697 . 1 624 1019 143 GLU CA C 57.959 0.008 1 625 1019 143 GLU CB C 28.351 0.005 1 626 1019 143 GLU N N 118.455 0.025 1 627 1020 144 VAL H H 6.8 0.003 1 628 1020 144 VAL C C 178.482 . 1 629 1020 144 VAL CA C 65.278 0.019 1 630 1020 144 VAL CB C 29.603 0.019 1 631 1020 144 VAL N N 122.384 0.009 1 632 1021 145 MET H H 7.921 0.002 1 633 1021 145 MET C C 177.423 . 1 634 1021 145 MET CA C 59.838 0.046 1 635 1021 145 MET CB C 33.011 0.007 1 636 1021 145 MET N N 118.214 0.006 1 637 1022 146 LYS H H 7.284 0.003 1 638 1022 146 LYS C C 178.832 . 1 639 1022 146 LYS CA C 58.826 0.006 1 640 1022 146 LYS CB C 31.389 0.038 1 641 1022 146 LYS N N 117.683 0.023 1 642 1023 147 ARG H H 7.279 0.002 1 643 1023 147 ARG C C 179.596 . 1 644 1023 147 ARG CA C 59.507 0.003 1 645 1023 147 ARG CB C 29.52 0.025 1 646 1023 147 ARG N N 121.255 0.019 1 647 1024 148 ILE H H 8.135 0.003 1 648 1024 148 ILE C C 176.528 . 1 649 1024 148 ILE CA C 65.667 0.02 1 650 1024 148 ILE CB C 37.959 0.027 1 651 1024 148 ILE N N 120.367 0.032 1 652 1025 149 GLN H H 8.256 0.002 1 653 1025 149 GLN C C 178.362 . 1 654 1025 149 GLN CA C 59.23 0.001 1 655 1025 149 GLN CB C 26.495 0.011 1 656 1025 149 GLN N N 119.634 0.023 1 657 1026 150 SER H H 7.529 0.003 1 658 1026 150 SER C C 176.136 . 1 659 1026 150 SER CA C 60.38 0.008 1 660 1026 150 SER CB C 62.893 0.008 1 661 1026 150 SER N N 111.35 0.03 1 662 1027 151 LEU H H 7.333 0.005 1 663 1027 151 LEU C C 177.65 . 1 664 1027 151 LEU CA C 56.935 0.008 1 665 1027 151 LEU CB C 41.482 . 1 666 1027 151 LEU N N 123.363 0.038 1 667 1028 152 LEU H H 7.344 0.004 1 668 1028 152 LEU C C 176.634 . 1 669 1028 152 LEU CA C 54.468 0.007 1 670 1028 152 LEU CB C 41.616 0.063 1 671 1028 152 LEU N N 114.186 0.007 1 672 1029 153 ASP H H 7.696 0.004 1 673 1029 153 ASP C C 174.679 . 1 674 1029 153 ASP CA C 54.168 0.004 1 675 1029 153 ASP CB C 38.844 0.021 1 676 1029 153 ASP N N 120.044 0.009 1 677 1030 154 ILE H H 7.059 0.007 1 678 1030 154 ILE C C 176.171 . 1 679 1030 154 ILE CA C 59.145 0.011 1 680 1030 154 ILE CB C 39.202 0.011 1 681 1030 154 ILE N N 116.589 0.042 1 682 1031 155 GLN H H 8.703 0.003 1 683 1031 155 GLN CA C 55.92 . 1 684 1031 155 GLN CB C 28.364 . 1 685 1031 155 GLN N N 126.24 0.028 1 686 1032 156 GLU C C 178.044 . 1 687 1032 156 GLU CA C 60.314 0.005 1 688 1032 156 GLU CB C 28.925 0.089 1 689 1033 157 LYS H H 8.499 0.003 1 690 1033 157 LYS C C 178.715 . 1 691 1033 157 LYS CA C 58.104 0.029 1 692 1033 157 LYS CB C 30.775 0.084 1 693 1033 157 LYS N N 116.164 0.028 1 694 1034 158 GLU H H 7.137 0.003 1 695 1034 158 GLU C C 179.16 . 1 696 1034 158 GLU CA C 57.696 0.004 1 697 1034 158 GLU CB C 29.157 0.043 1 698 1034 158 GLU N N 117.518 0.018 1 699 1035 159 PHE H H 8.26 0.004 1 700 1035 159 PHE C C 177.893 . 1 701 1035 159 PHE CA C 59.109 0.015 1 702 1035 159 PHE CB C 38.201 0.036 1 703 1035 159 PHE N N 121.529 0.016 1 704 1036 160 GLU H H 8.053 0.003 1 705 1036 160 GLU C C 176.496 . 1 706 1036 160 GLU CA C 57.588 0.007 1 707 1036 160 GLU CB C 28.785 0.026 1 708 1036 160 GLU N N 116.594 0.016 1 709 1037 161 LYS H H 7.086 0.004 1 710 1037 161 LYS C C 177.236 . 1 711 1037 161 LYS CA C 55.298 0.006 1 712 1037 161 LYS CB C 31.786 . 1 713 1037 161 LYS N N 114.916 0.031 1 714 1038 162 PHE H H 7.799 0.002 1 715 1038 162 PHE C C 175.189 . 1 716 1038 162 PHE CA C 57.66 0.012 1 717 1038 162 PHE CB C 38.37 0.043 1 718 1038 162 PHE N N 122.405 0.014 1 719 1039 163 LYS H H 7.8 0.002 1 720 1039 163 LYS C C 174.394 . 1 721 1039 163 LYS CA C 54.252 0.007 1 722 1039 163 LYS CB C 34.871 0.062 1 723 1039 163 LYS N N 117.91 0.02 1 724 1040 164 PHE H H 9.283 0.003 1 725 1040 164 PHE C C 174.359 . 1 726 1040 164 PHE CA C 56.419 0.015 1 727 1040 164 PHE CB C 42.66 0.074 1 728 1040 164 PHE N N 118.652 0.025 1 729 1041 165 ALA H H 9.36 0.003 1 730 1041 165 ALA C C 175.387 . 1 731 1041 165 ALA CA C 49.547 0.007 1 732 1041 165 ALA CB C 21.583 0.025 1 733 1041 165 ALA N N 124.67 0.008 1 734 1042 166 ILE H H 8.373 0.002 1 735 1042 166 ILE C C 175.375 . 1 736 1042 166 ILE CA C 61.623 0.021 1 737 1042 166 ILE CB C 37.742 0.064 1 738 1042 166 ILE N N 121.306 0.006 1 739 1043 167 VAL H H 8.814 0.004 1 740 1043 167 VAL C C 174.657 . 1 741 1043 167 VAL CA C 62.134 0.024 1 742 1043 167 VAL CB C 29.747 0.01 1 743 1043 167 VAL N N 130.24 0.007 1 744 1044 168 MET H H 7.945 0.003 1 745 1044 168 MET CA C 53.816 . 1 746 1044 168 MET CB C 34.134 . 1 747 1044 168 MET N N 124.857 0.016 1 748 1046 170 GLY C C 173.131 . 1 749 1046 170 GLY CA C 45.181 0.005 1 750 1047 171 ARG H H 7.293 0.003 1 751 1047 171 ARG C C 173.016 . 1 752 1047 171 ARG CA C 55.004 0.005 1 753 1047 171 ARG CB C 31.284 0.014 1 754 1047 171 ARG N N 118.001 0.024 1 755 1048 172 HIS H H 7.896 0.003 1 756 1048 172 HIS C C 173.054 . 1 757 1048 172 HIS CA C 54.337 0.041 1 758 1048 172 HIS CB C 33.403 0.068 1 759 1048 172 HIS N N 117.255 0.022 1 760 1049 173 GLN H H 8.203 0.003 1 761 1049 173 GLN C C 175.236 . 1 762 1049 173 GLN CA C 53.236 0.008 1 763 1049 173 GLN CB C 31.255 0.044 1 764 1049 173 GLN N N 120.63 0.035 1 765 1050 174 TYR H H 8.922 0.002 1 766 1050 174 TYR C C 176.513 . 1 767 1050 174 TYR CA C 60.012 0.008 1 768 1050 174 TYR CB C 37.869 0.105 1 769 1050 174 TYR N N 125.218 0.03 1 770 1051 175 ILE H H 8.818 0.002 1 771 1051 175 ILE C C 175.582 . 1 772 1051 175 ILE CA C 60.051 0.026 1 773 1051 175 ILE CB C 39.688 0.017 1 774 1051 175 ILE N N 124.778 0.027 1 775 1052 176 ASN H H 8.586 0.003 1 776 1052 176 ASN C C 175.08 . 1 777 1052 176 ASN CA C 52.147 0.01 1 778 1052 176 ASN CB C 36.57 0.015 1 779 1052 176 ASN N N 125.071 0.015 1 780 1053 177 GLU H H 9.875 0.003 1 781 1053 177 GLU C C 175.556 . 1 782 1053 177 GLU CA C 59.342 0.008 1 783 1053 177 GLU CB C 28.514 0.003 1 784 1053 177 GLU N N 128.03 0.008 1 785 1054 178 ASP H H 7.858 0.003 1 786 1054 178 ASP C C 177.455 . 1 787 1054 178 ASP CA C 55.491 0.027 1 788 1054 178 ASP CB C 41.491 0.114 1 789 1054 178 ASP N N 113.716 0.005 1 790 1055 179 GLU H H 7.414 0.001 1 791 1055 179 GLU C C 176.247 . 1 792 1055 179 GLU CA C 55.917 0.011 1 793 1055 179 GLU CB C 32.87 0.094 1 794 1055 179 GLU N N 117.481 0.033 1 795 1056 180 TYR H H 7.989 0.003 1 796 1056 180 TYR C C 173.267 . 1 797 1056 180 TYR CA C 59.703 0.008 1 798 1056 180 TYR CB C 38.378 0.045 1 799 1056 180 TYR N N 121.191 0.02 1 800 1057 181 GLU H H 6.879 0.006 1 801 1057 181 GLU C C 174.651 . 1 802 1057 181 GLU CA C 52.965 0.02 1 803 1057 181 GLU CB C 30.429 0.01 1 804 1057 181 GLU N N 126.68 0.04 1 805 1058 182 VAL H H 8.638 0.002 1 806 1058 182 VAL C C 176.294 . 1 807 1058 182 VAL CA C 64.991 0.011 1 808 1058 182 VAL CB C 31.041 0.012 1 809 1058 182 VAL N N 120.293 0.014 1 810 1059 183 ASN H H 7.682 0.002 1 811 1059 183 ASN C C 176.871 . 1 812 1059 183 ASN CA C 50.353 0.01 1 813 1059 183 ASN CB C 38.682 0.064 1 814 1059 183 ASN N N 128.12 0.013 1 815 1060 184 LEU H H 9.44 0.002 1 816 1060 184 LEU C C 179.373 . 1 817 1060 184 LEU CA C 58.193 0.002 1 818 1060 184 LEU CB C 39.031 0.05 1 819 1060 184 LEU N N 125.769 0.01 1 820 1061 185 LYS H H 7.796 0.003 1 821 1061 185 LYS C C 178.846 . 1 822 1061 185 LYS CA C 58.024 0.041 1 823 1061 185 LYS CB C 30.931 0.012 1 824 1061 185 LYS N N 115.893 0.037 1 825 1062 186 ASP H H 7.848 0.002 1 826 1062 186 ASP C C 175.631 . 1 827 1062 186 ASP CA C 56.046 0.003 1 828 1062 186 ASP CB C 39.387 . 1 829 1062 186 ASP N N 118.456 0.049 1 830 1063 187 PHE H H 7.539 0.003 1 831 1063 187 PHE C C 174.519 . 1 832 1063 187 PHE CA C 56.948 0.006 1 833 1063 187 PHE CB C 39.486 0.031 1 834 1063 187 PHE N N 114.129 0.01 1 835 1064 188 GLU H H 7.06 0.002 1 836 1064 188 GLU CA C 53.953 . 1 837 1064 188 GLU CB C 29.674 . 1 838 1064 188 GLU N N 121.181 0.022 1 839 1067 191 PRO C C 176.634 . 1 840 1067 191 PRO CA C 62.863 0.002 1 841 1067 191 PRO CB C 32.963 0.028 1 842 1068 192 GLY H H 8.389 0.003 1 843 1068 192 GLY C C 173.904 . 1 844 1068 192 GLY CA C 45.03 0.011 1 845 1068 192 GLY N N 111.388 0.013 1 846 1069 193 ASN H H 8.21 0.004 1 847 1069 193 ASN CA C 55.897 . 1 848 1069 193 ASN N N 121.097 0.011 1 849 1075 199 PRO C C 174.853 . 1 850 1075 199 PRO CA C 63.02 . 1 851 1075 199 PRO CB C 32.331 0.031 1 852 1076 200 TRP H H 8.266 0.002 1 853 1076 200 TRP C C 173.295 . 1 854 1076 200 TRP CA C 53.277 0.013 1 855 1076 200 TRP CB C 31.509 0.051 1 856 1076 200 TRP N N 118.463 0.005 1 857 1077 201 LEU H H 8.766 0.004 1 858 1077 201 LEU C C 174.182 . 1 859 1077 201 LEU CA C 53.344 0.002 1 860 1077 201 LEU CB C 43.208 0.001 1 861 1077 201 LEU N N 122.048 0.05 1 862 1078 202 GLY H H 9.916 0.004 1 863 1078 202 GLY C C 172.053 . 1 864 1078 202 GLY CA C 44.63 0.008 1 865 1078 202 GLY N N 114.67 0.012 1 866 1079 203 LEU H H 8.898 0.002 1 867 1079 203 LEU C C 173.457 . 1 868 1079 203 LEU CA C 51.905 0.005 1 869 1079 203 LEU CB C 40.129 0.001 1 870 1079 203 LEU N N 124.975 0.024 1 871 1080 204 ASP H H 8.291 0.001 1 872 1080 204 ASP C C 177.749 . 1 873 1080 204 ASP CA C 50.869 0.01 1 874 1080 204 ASP CB C 41.283 0.028 1 875 1080 204 ASP N N 125.164 0.004 1 876 1081 205 HIS H H 8.985 0.005 1 877 1081 205 HIS CA C 54.082 . 1 878 1081 205 HIS CB C 28.593 . 1 879 1081 205 HIS N N 121.962 0.008 1 880 1083 207 ASN C C 173.803 . 1 881 1083 207 ASN CA C 51.489 0.006 1 882 1083 207 ASN CB C 36.023 0.014 1 883 1084 208 LYS H H 7.607 0.002 1 884 1084 208 LYS C C 175.587 . 1 885 1084 208 LYS CA C 55.616 0.009 1 886 1084 208 LYS CB C 32.047 0.013 1 887 1084 208 LYS N N 124.364 0.025 1 888 1085 209 ALA H H 7.733 0.008 1 889 1085 209 ALA CA C 50.167 . 1 890 1085 209 ALA CB C 17.424 . 1 891 1085 209 ALA N N 125.97 0.077 1 892 1092 216 THR C C 174.032 . 1 893 1092 216 THR CA C 61.669 0.01 1 894 1092 216 THR CB C 69.11 0.113 1 895 1093 217 TYR H H 7.993 0.007 1 896 1093 217 TYR C C 175.418 . 1 897 1093 217 TYR CA C 57.787 0.002 1 898 1093 217 TYR CB C 37.897 0.011 1 899 1093 217 TYR N N 122.616 0.023 1 900 1094 218 LEU H H 7.85 0.002 1 901 1094 218 LEU C C 176.481 . 1 902 1094 218 LEU CA C 54.654 0.003 1 903 1094 218 LEU CB C 41.572 0.037 1 904 1094 218 LEU N N 124.134 0 1 905 1095 219 GLU H H 8.078 0.003 1 906 1095 219 GLU C C 176.923 . 1 907 1095 219 GLU CA C 56.38 0.017 1 908 1095 219 GLU CB C 29.507 0.096 1 909 1095 219 GLU N N 122.258 0.055 1 910 1096 220 LYS H H 8.084 0.004 1 911 1096 220 LYS C C 176.183 . 1 912 1096 220 LYS CA C 55.876 0.01 1 913 1096 220 LYS CB C 32.147 0.037 1 914 1096 220 LYS N N 122.169 0.029 1 915 1097 221 ALA H H 8.086 0.003 1 916 1097 221 ALA C C 177.522 . 1 917 1097 221 ALA CA C 52.034 0.002 1 918 1097 221 ALA CB C 18.447 0.023 1 919 1097 221 ALA N N 125.13 0.037 1 920 1098 222 ILE H H 7.914 0.002 1 921 1098 222 ILE C C 176.042 . 1 922 1098 222 ILE CA C 60.597 0.002 1 923 1098 222 ILE CB C 37.978 0.007 1 924 1098 222 ILE N N 120.618 0.016 1 925 1099 223 LYS H H 8.193 0.002 1 926 1099 223 LYS C C 175.989 . 1 927 1099 223 LYS CA C 55.559 0.013 1 928 1099 223 LYS CB C 32.243 0.026 1 929 1099 223 LYS N N 126.161 0.022 1 930 1100 224 ILE H H 8.029 0.002 1 931 1100 224 ILE C C 175.774 . 1 932 1100 224 ILE CA C 60.584 0.009 1 933 1100 224 ILE CB C 37.96 0.033 1 934 1100 224 ILE N N 123.051 0.027 1 935 1101 225 HIS H H 8.163 0.005 1 936 1101 225 HIS C C 174.037 . 1 937 1101 225 HIS CA C 55.418 0.003 1 938 1101 225 HIS CB C 30.205 0.046 1 939 1101 225 HIS N N 123.749 0.054 1 940 1102 226 ASN H H 7.978 0.005 1 941 1102 226 ASN CA C 54.507 . 1 942 1102 226 ASN CB C 39.721 . 1 943 1102 226 ASN N N 126.232 0.021 1 stop_ save_