data_26839 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Resonance assignments of the charge assembly helix from the murine leukemia virus ; _BMRB_accession_number 26839 _BMRB_flat_file_name bmr26839.str _Entry_type original _Submission_date 2016-06-25 _Accession_date 2016-06-25 _Entry_origination author _NMR_STAR_version 2.1.1 _Experimental_method NMR _Details . loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Dolezal Michal . . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 230 "13C chemical shifts" 203 "15N chemical shifts" 69 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2016-10-25 update BMRB 'update entry citation' 2016-08-08 original author 'original release' stop_ _Original_release_date 2016-08-08 save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full . _Citation_title ; Functional and Structural Characterization of Novel Type of Linker Connecting Capsid and Nucleocapsid Protein Domains in Murine Leukemia Virus ; _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 27514744 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Dolezal Michal . . 2 Hahravova Romana . . 3 Kozisek Milan . . 4 Bednarova Lucie . . 5 Langerova Hana . . 6 Ruml Tomas . . 7 Rumlova Michaela . . stop_ _Journal_abbreviation 'J. Biol. Chem.' _Journal_volume 291 _Journal_issue 39 _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 20630 _Page_last 20642 _Year 2016 _Details . save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name MLV-CAH _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label MLV-CAH $MLV-CAH stop_ _System_molecular_weight . _System_physical_state native _System_oligomer_state ? _System_paramagnetic no _System_thiol_state . _Database_query_date . _Details 'the linker connecting the capsid and nucleocapsid domains in the murine leukemia virus' save_ ######################## # Monomeric polymers # ######################## save_MLV-CAH _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common MLV-CAH _Molecular_mass . _Mol_thiol_state 'all free' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 72 _Mol_residue_sequence ; SYYHHHHHHDYDIPTTENLY FQGAMAKRETPEEREERIRR EIEEKEERRRAEDEQRERER DRRRHREMSKLL ; loop_ _Residue_seq_code _Residue_author_seq_code _Residue_label 1 1 SER 2 2 TYR 3 3 TYR 4 4 HIS 5 5 HIS 6 6 HIS 7 7 HIS 8 8 HIS 9 9 HIS 10 10 ASP 11 11 TYR 12 12 ASP 13 13 ILE 14 14 PRO 15 15 THR 16 16 THR 17 17 GLU 18 18 ASN 19 19 LEU 20 20 TYR 21 21 PHE 22 22 GLN 23 23 GLY 24 24 ALA 25 25 MET 26 26 ALA 27 27 LYS 28 28 ARG 29 29 GLU 30 30 THR 31 31 PRO 32 32 GLU 33 33 GLU 34 34 ARG 35 35 GLU 36 36 GLU 37 37 ARG 38 38 ILE 39 39 ARG 40 40 ARG 41 41 GLU 42 42 ILE 43 43 GLU 44 44 GLU 45 45 LYS 46 46 GLU 47 47 GLU 48 48 ARG 49 49 ARG 50 50 ARG 51 51 ALA 52 52 GLU 53 53 ASP 54 54 GLU 55 55 GLN 56 56 ARG 57 57 GLU 58 58 ARG 59 59 GLU 60 60 ARG 61 61 ASP 62 62 ARG 63 63 ARG 64 64 ARG 65 65 HIS 66 66 ARG 67 67 GLU 68 68 MET 69 69 SER 70 70 LYS 71 71 LEU 72 72 LEU 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 _ICTVdb_decimal_code _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species $MLV-CAH 'murine leukemia virus' 00.061.1.02.001. 11786 Viruses . gammaretrovirus . 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 $MLV-CAH 'recombinant technology' . Escherichia coli 'BL21 (DE3) RIL' pET-22b 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 $MLV-CAH 0.6 mM '[U-99% 13C; U-99% 15N]' 'sodium phosphate' 50 mM 'natural abundance' 'sodium chloride' 50 mM 'natural abundance' TCEP 1 mM 'natural abundance' H2O 95 % 'natural abundance' D2O 5 % [U-2H] stop_ save_ ############################ # Computer software used # ############################ save_CcpNmr_Analysis _Saveframe_category software _Name CcpNmr_Analysis _Version 2.3 loop_ _Vendor _Address _Electronic_address CCPN 'Department of Biochemistry, Cambridge CB2 1GA, UK' http://www.ccpn.ac.uk stop_ loop_ _Task 'chemical shift assignment' 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 III' _Field_strength 600 _Details . 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_2D_CACO_2 _Saveframe_category NMR_applied_experiment _Experiment_name '2D CACO' _Sample_label $sample_1 save_ save_2D_CON_3 _Saveframe_category NMR_applied_experiment _Experiment_name '2D CON' _Sample_label $sample_1 save_ save_3D_HNCA_4 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCA' _Sample_label $sample_1 save_ save_3D_HNCO_5 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCO' _Sample_label $sample_1 save_ save_3D_HNCACB_6 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCACB' _Sample_label $sample_1 save_ save_3D_CBCA(CO)NH_7 _Saveframe_category NMR_applied_experiment _Experiment_name '3D CBCA(CO)NH' _Sample_label $sample_1 save_ save_3D_HN(CA)CO_8 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HN(CA)CO' _Sample_label $sample_1 save_ save_3D_HNN_9 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNN' _Sample_label $sample_1 save_ save_3D_HBHA(CO)NH_10 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HBHA(CO)NH' _Sample_label $sample_1 save_ save_3D_CONCA_11 _Saveframe_category NMR_applied_experiment _Experiment_name '3D CONCA' _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' 0.350 . M pH 7.0 . 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 2.7 external indirect . . . 0.251449530 DSS H 1 'methyl protons' ppm 0.05 external direct . . . 1.000000000 DSS N 15 'methyl protons' ppm 0.07 external 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 _Saveframe_category assigned_chemical_shifts _Details . loop_ _Software_label $CcpNmr_Analysis stop_ loop_ _Experiment_label '2D 1H-15N HSQC' '2D CACO' '2D CON' '3D HNCA' '3D HNCO' '3D HNCACB' '3D CBCA(CO)NH' '3D HN(CA)CO' '3D HNN' '3D HBHA(CO)NH' '3D CONCA' 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 MLV-CAH _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 1 1 SER C C 173.999 0.030 1 2 2 2 TYR C C 175.199 0.012 1 3 2 2 TYR CA C 58.189 0.034 1 4 2 2 TYR CB C 38.933 0.044 1 5 2 2 TYR N N 122.034 0.020 1 6 3 3 TYR H H 8.015 0.003 1 7 3 3 TYR C C 175.018 0.009 1 8 3 3 TYR CA C 57.744 0.058 1 9 3 3 TYR CB C 38.980 0.030 1 10 3 3 TYR N N 121.731 0.013 1 11 4 4 HIS CA C 56.165 0.030 1 12 4 4 HIS N N 121.462 0.007 1 13 9 9 HIS C C 174.739 0.030 1 14 9 9 HIS CA C 56.021 0.030 1 15 10 10 ASP HA H 4.501 0.003 1 16 10 10 ASP HB2 H 2.533 0.003 1 17 10 10 ASP HB3 H 2.533 0.003 1 18 10 10 ASP C C 175.802 0.008 1 19 10 10 ASP CA C 54.588 0.050 1 20 10 10 ASP CB C 40.894 0.049 1 21 10 10 ASP N N 121.479 0.020 1 22 11 11 TYR H H 7.920 0.001 1 23 11 11 TYR HA H 4.517 0.003 1 24 11 11 TYR HB2 H 2.880 0.003 2 25 11 11 TYR HB3 H 3.057 0.003 2 26 11 11 TYR C C 175.339 0.003 1 27 11 11 TYR CA C 57.506 0.039 1 28 11 11 TYR CB C 38.740 0.011 1 29 11 11 TYR N N 119.046 0.008 1 30 12 12 ASP H H 8.226 0.001 1 31 12 12 ASP HA H 4.582 0.003 1 32 12 12 ASP HB2 H 2.579 0.003 1 33 12 12 ASP HB3 H 2.579 0.003 1 34 12 12 ASP C C 175.507 0.009 1 35 12 12 ASP CA C 54.272 0.050 1 36 12 12 ASP CB C 41.174 0.051 1 37 12 12 ASP N N 121.522 0.021 1 38 13 13 ILE H H 7.898 0.001 1 39 13 13 ILE C C 174.580 0.007 1 40 13 13 ILE CA C 58.831 0.058 1 41 13 13 ILE CB C 38.686 0.030 1 42 13 13 ILE N N 122.047 0.009 1 43 14 14 PRO HA H 4.465 0.003 1 44 14 14 PRO HB2 H 2.254 0.003 2 45 14 14 PRO HB3 H 1.889 0.003 2 46 14 14 PRO C C 177.157 0.005 1 47 14 14 PRO CA C 63.282 0.027 1 48 14 14 PRO CB C 32.079 0.081 1 49 14 14 PRO N N 139.516 0.134 1 50 15 15 THR H H 8.260 0.001 1 51 15 15 THR HA H 4.362 0.003 1 52 15 15 THR HB H 4.264 0.003 1 53 15 15 THR C C 174.972 0.008 1 54 15 15 THR CA C 61.888 0.032 1 55 15 15 THR CB C 69.708 0.023 1 56 15 15 THR N N 114.360 0.010 1 57 16 16 THR H H 8.058 0.002 1 58 16 16 THR HA H 4.261 0.003 1 59 16 16 THR HB H 4.238 0.003 1 60 16 16 THR C C 174.755 0.009 1 61 16 16 THR CA C 62.233 0.053 1 62 16 16 THR CB C 69.493 0.030 1 63 16 16 THR N N 115.050 0.018 1 64 17 17 GLU H H 8.354 0.001 1 65 17 17 GLU HA H 4.220 0.003 1 66 17 17 GLU HB2 H 1.978 0.003 1 67 17 17 GLU HB3 H 1.978 0.003 1 68 17 17 GLU C C 176.164 0.009 1 69 17 17 GLU CA C 56.977 0.030 1 70 17 17 GLU CB C 30.221 0.087 1 71 17 17 GLU N N 122.455 0.016 1 72 18 18 ASN H H 8.316 0.002 1 73 18 18 ASN HA H 4.607 0.003 1 74 18 18 ASN HB2 H 2.730 0.003 1 75 18 18 ASN HB3 H 2.730 0.003 1 76 18 18 ASN HD21 H 6.876 0.005 1 77 18 18 ASN HD22 H 7.546 0.002 1 78 18 18 ASN C C 175.215 0.006 1 79 18 18 ASN CA C 53.388 0.027 1 80 18 18 ASN CB C 38.716 0.042 1 81 18 18 ASN CG C 176.895 0.032 1 82 18 18 ASN N N 119.142 0.016 1 83 18 18 ASN ND2 N 112.537 0.041 1 84 19 19 LEU H H 8.060 0.001 1 85 19 19 LEU HA H 4.159 0.003 1 86 19 19 LEU HB2 H 1.304 0.003 2 87 19 19 LEU HB3 H 1.437 0.003 2 88 19 19 LEU C C 177.165 0.005 1 89 19 19 LEU CA C 55.674 0.030 1 90 19 19 LEU CB C 42.210 0.045 1 91 19 19 LEU N N 122.073 0.027 1 92 20 20 TYR H H 8.012 0.001 1 93 20 20 TYR HA H 4.456 0.003 1 94 20 20 TYR HB2 H 2.880 0.003 1 95 20 20 TYR HB3 H 2.880 0.003 1 96 20 20 TYR C C 175.699 0.008 1 97 20 20 TYR CA C 58.121 0.033 1 98 20 20 TYR CB C 38.513 0.063 1 99 20 20 TYR N N 119.437 0.012 1 100 21 21 PHE H H 7.960 0.001 1 101 21 21 PHE HA H 4.523 0.003 1 102 21 21 PHE HB2 H 3.045 0.003 1 103 21 21 PHE HB3 H 3.045 0.003 1 104 21 21 PHE C C 175.559 0.009 1 105 21 21 PHE CA C 57.885 0.007 1 106 21 21 PHE CB C 39.551 0.060 1 107 21 21 PHE N N 120.984 0.009 1 108 22 22 GLN H H 8.211 0.002 1 109 22 22 GLN HA H 4.194 0.003 1 110 22 22 GLN HB2 H 1.880 0.003 2 111 22 22 GLN HB3 H 2.063 0.003 2 112 22 22 GLN HE21 H 6.824 0.003 1 113 22 22 GLN HE22 H 7.432 0.001 1 114 22 22 GLN C C 176.224 0.005 1 115 22 22 GLN CA C 56.175 0.045 1 116 22 22 GLN CB C 29.346 0.080 1 117 22 22 GLN CG C 33.902 0.004 1 118 22 22 GLN CD C 180.350 0.044 1 119 22 22 GLN N N 121.780 0.013 1 120 22 22 GLN NE2 N 112.131 0.040 1 121 23 23 GLY H H 7.912 0.002 1 122 23 23 GLY HA2 H 3.857 0.003 1 123 23 23 GLY HA3 H 3.857 0.003 1 124 23 23 GLY C C 173.968 0.007 1 125 23 23 GLY CA C 45.392 0.030 1 126 23 23 GLY N N 109.104 0.013 1 127 24 24 ALA H H 8.121 0.002 1 128 24 24 ALA HA H 4.265 0.003 1 129 24 24 ALA HB H 1.343 0.003 1 130 24 24 ALA C C 177.897 0.005 1 131 24 24 ALA CA C 52.767 0.024 1 132 24 24 ALA CB C 19.323 0.143 1 133 24 24 ALA N N 123.554 0.012 1 134 25 25 MET H H 8.209 0.001 1 135 25 25 MET HA H 4.378 0.003 1 136 25 25 MET HB2 H 1.992 0.003 1 137 25 25 MET HB3 H 1.992 0.003 1 138 25 25 MET C C 175.945 0.005 1 139 25 25 MET CA C 55.409 0.030 1 140 25 25 MET CB C 32.801 0.154 1 141 25 25 MET N N 118.570 0.006 1 142 26 26 ALA H H 8.077 0.001 1 143 26 26 ALA HA H 4.235 0.003 1 144 26 26 ALA HB H 1.319 0.003 1 145 26 26 ALA C C 177.364 0.004 1 146 26 26 ALA CA C 52.498 0.040 1 147 26 26 ALA CB C 19.321 0.128 1 148 26 26 ALA N N 124.742 0.009 1 149 27 27 LYS H H 8.125 0.001 1 150 27 27 LYS HA H 4.257 0.003 1 151 27 27 LYS HB2 H 1.737 0.003 1 152 27 27 LYS HB3 H 1.737 0.003 1 153 27 27 LYS C C 176.170 0.003 1 154 27 27 LYS CA C 56.165 0.024 1 155 27 27 LYS CB C 33.187 0.069 1 156 27 27 LYS N N 120.555 0.007 1 157 28 28 ARG H H 8.350 0.001 1 158 28 28 ARG HA H 4.353 0.003 1 159 28 28 ARG HB2 H 1.759 0.003 1 160 28 28 ARG HB3 H 1.759 0.003 1 161 28 28 ARG C C 175.909 0.006 1 162 28 28 ARG CA C 55.815 0.037 1 163 28 28 ARG CB C 30.788 0.054 1 164 28 28 ARG N N 123.469 0.012 1 165 29 29 GLU H H 8.334 0.002 1 166 29 29 GLU HA H 4.523 0.003 1 167 29 29 GLU HB2 H 1.937 0.003 2 168 29 29 GLU HB3 H 2.033 0.003 2 169 29 29 GLU C C 176.979 0.006 1 170 29 29 GLU CA C 55.965 0.040 1 171 29 29 GLU CB C 31.766 0.108 1 172 29 29 GLU N N 123.878 0.020 1 173 30 30 THR H H 8.816 0.002 1 174 30 30 THR C C 173.465 0.009 1 175 30 30 THR CA C 60.448 0.036 1 176 30 30 THR CB C 68.183 0.030 1 177 30 30 THR N N 117.725 0.021 1 178 31 31 PRO HA H 4.204 0.003 1 179 31 31 PRO HB2 H 1.914 0.003 2 180 31 31 PRO HB3 H 2.378 0.003 2 181 31 31 PRO C C 179.083 0.003 1 182 31 31 PRO CA C 65.820 0.045 1 183 31 31 PRO CB C 31.663 0.099 1 184 31 31 PRO N N 135.537 0.145 1 185 32 32 GLU H H 8.778 0.002 1 186 32 32 GLU HA H 4.048 0.003 1 187 32 32 GLU HB2 H 1.991 0.003 1 188 32 32 GLU HB3 H 1.991 0.003 1 189 32 32 GLU C C 179.522 0.001 1 190 32 32 GLU CA C 60.250 0.029 1 191 32 32 GLU CB C 28.837 0.091 1 192 32 32 GLU N N 117.254 0.014 1 193 33 33 GLU H H 7.815 0.002 1 194 33 33 GLU HA H 3.999 0.003 1 195 33 33 GLU HB2 H 2.016 0.003 2 196 33 33 GLU HB3 H 2.329 0.003 2 197 33 33 GLU C C 179.438 0.006 1 198 33 33 GLU CA C 58.776 0.052 1 199 33 33 GLU CB C 30.136 0.006 1 200 33 33 GLU N N 121.647 0.011 1 201 34 34 ARG H H 8.496 0.002 1 202 34 34 ARG HA H 3.955 0.003 1 203 34 34 ARG HB2 H 1.736 0.003 2 204 34 34 ARG HB3 H 1.922 0.003 2 205 34 34 ARG C C 177.520 0.007 1 206 34 34 ARG CA C 59.564 0.025 1 207 34 34 ARG CB C 29.759 0.006 1 208 34 34 ARG N N 121.905 0.009 1 209 35 35 GLU H H 8.058 0.002 1 210 35 35 GLU HA H 3.934 0.003 1 211 35 35 GLU HB2 H 2.075 0.003 1 212 35 35 GLU HB3 H 2.075 0.003 1 213 35 35 GLU C C 179.168 0.004 1 214 35 35 GLU CA C 59.362 0.035 1 215 35 35 GLU CB C 29.186 0.002 1 216 35 35 GLU N N 117.407 0.013 1 217 36 36 GLU H H 7.692 0.003 1 218 36 36 GLU HA H 4.102 0.003 1 219 36 36 GLU HB2 H 2.053 0.003 1 220 36 36 GLU HB3 H 2.053 0.003 1 221 36 36 GLU C C 177.943 0.009 1 222 36 36 GLU CA C 58.814 0.021 1 223 36 36 GLU CB C 29.275 0.003 1 224 36 36 GLU N N 119.121 0.018 1 225 37 37 ARG H H 8.109 0.002 1 226 37 37 ARG HA H 3.995 0.003 1 227 37 37 ARG HB2 H 1.780 0.003 2 228 37 37 ARG HB3 H 2.090 0.003 2 229 37 37 ARG C C 178.674 0.003 1 230 37 37 ARG CA C 59.772 0.085 1 231 37 37 ARG CB C 29.272 0.083 1 232 37 37 ARG N N 121.226 0.008 1 233 38 38 ILE H H 8.410 0.001 1 234 38 38 ILE HA H 3.701 0.003 1 235 38 38 ILE HB H 1.863 0.003 1 236 38 38 ILE C C 178.238 0.006 1 237 38 38 ILE CA C 64.754 0.057 1 238 38 38 ILE CB C 37.697 0.106 1 239 38 38 ILE N N 119.860 0.021 1 240 39 39 ARG H H 7.889 0.001 1 241 39 39 ARG HA H 3.977 0.003 1 242 39 39 ARG HB2 H 1.941 0.003 1 243 39 39 ARG HB3 H 1.941 0.003 1 244 39 39 ARG C C 179.121 0.004 1 245 39 39 ARG CA C 59.754 0.035 1 246 39 39 ARG CB C 30.025 0.021 1 247 39 39 ARG N N 119.334 0.014 1 248 40 40 ARG H H 8.087 0.003 1 249 40 40 ARG HA H 4.094 0.003 1 250 40 40 ARG HB2 H 1.979 0.003 1 251 40 40 ARG HB3 H 1.979 0.003 1 252 40 40 ARG C C 178.743 0.008 1 253 40 40 ARG CA C 59.113 0.020 1 254 40 40 ARG CB C 29.771 0.012 1 255 40 40 ARG N N 119.492 0.011 1 256 41 41 GLU H H 8.408 0.001 1 257 41 41 GLU HA H 4.049 0.003 1 258 41 41 GLU HB2 H 2.262 0.003 2 259 41 41 GLU HB3 H 2.025 0.003 2 260 41 41 GLU C C 179.906 0.009 1 261 41 41 GLU CA C 59.477 0.015 1 262 41 41 GLU CB C 29.585 0.114 1 263 41 41 GLU N N 120.435 0.006 1 264 42 42 ILE H H 8.171 0.002 1 265 42 42 ILE HA H 3.758 0.003 1 266 42 42 ILE HB H 1.989 0.003 1 267 42 42 ILE C C 178.543 0.005 1 268 42 42 ILE CA C 65.024 0.033 1 269 42 42 ILE CB C 38.098 0.141 1 270 42 42 ILE N N 120.734 0.010 1 271 43 43 GLU H H 8.083 0.002 1 272 43 43 GLU HA H 4.081 0.003 1 273 43 43 GLU HB2 H 2.137 0.003 1 274 43 43 GLU HB3 H 2.137 0.003 1 275 43 43 GLU C C 179.322 0.005 1 276 43 43 GLU CA C 59.376 0.063 1 277 43 43 GLU CB C 29.657 0.139 1 278 43 43 GLU N N 120.841 0.016 1 279 44 44 GLU H H 8.464 0.001 1 280 44 44 GLU HA H 4.098 0.003 1 281 44 44 GLU HB2 H 2.110 0.003 1 282 44 44 GLU HB3 H 2.110 0.003 1 283 44 44 GLU C C 178.989 0.009 1 284 44 44 GLU CA C 59.182 0.034 1 285 44 44 GLU CB C 29.477 0.091 1 286 44 44 GLU N N 119.910 0.006 1 287 45 45 LYS H H 7.935 0.001 1 288 45 45 LYS HA H 4.020 0.003 1 289 45 45 LYS HB2 H 1.985 0.003 1 290 45 45 LYS HB3 H 1.985 0.003 1 291 45 45 LYS C C 179.270 0.004 1 292 45 45 LYS CA C 59.513 0.037 1 293 45 45 LYS CB C 32.412 0.087 1 294 45 45 LYS N N 120.143 0.009 1 295 46 46 GLU H H 8.204 0.001 1 296 46 46 GLU HA H 4.200 0.003 1 297 46 46 GLU HB2 H 2.119 0.003 1 298 46 46 GLU HB3 H 2.119 0.003 1 299 46 46 GLU C C 178.696 0.007 1 300 46 46 GLU CA C 58.662 0.047 1 301 46 46 GLU CB C 29.225 0.085 1 302 46 46 GLU N N 120.455 0.009 1 303 47 47 GLU H H 8.287 0.001 1 304 47 47 GLU HA H 4.102 0.003 1 305 47 47 GLU HB2 H 2.124 0.003 1 306 47 47 GLU HB3 H 2.124 0.003 1 307 47 47 GLU C C 179.024 0.006 1 308 47 47 GLU CA C 58.976 0.030 1 309 47 47 GLU CB C 29.361 0.003 1 310 47 47 GLU N N 120.901 0.009 1 311 48 48 ARG H H 8.064 0.001 1 312 48 48 ARG HA H 4.141 0.003 1 313 48 48 ARG HB2 H 1.930 0.003 1 314 48 48 ARG HB3 H 1.930 0.003 1 315 48 48 ARG C C 178.406 0.015 1 316 48 48 ARG CA C 58.720 0.071 1 317 48 48 ARG CB C 30.023 0.028 1 318 48 48 ARG N N 119.947 0.017 1 319 49 49 ARG H H 7.978 0.002 1 320 49 49 ARG HA H 4.104 0.003 1 321 49 49 ARG HB2 H 1.946 0.003 1 322 49 49 ARG HB3 H 1.946 0.003 1 323 49 49 ARG C C 178.323 0.008 1 324 49 49 ARG CA C 58.702 0.028 1 325 49 49 ARG CB C 29.549 0.014 1 326 49 49 ARG N N 120.598 0.012 1 327 50 50 ARG H H 8.194 0.002 1 328 50 50 ARG HA H 4.098 0.003 1 329 50 50 ARG HB2 H 1.927 0.003 1 330 50 50 ARG HB3 H 1.927 0.003 1 331 50 50 ARG C C 178.691 0.004 1 332 50 50 ARG CA C 59.196 0.013 1 333 50 50 ARG CB C 30.114 0.039 1 334 50 50 ARG N N 119.586 0.013 1 335 51 51 ALA H H 8.080 0.001 1 336 51 51 ALA HA H 4.203 0.003 1 337 51 51 ALA HB H 1.513 0.003 1 338 51 51 ALA C C 180.490 0.012 1 339 51 51 ALA CA C 54.763 0.034 1 340 51 51 ALA CB C 18.246 0.142 1 341 51 51 ALA N N 122.143 0.014 1 342 52 52 GLU H H 8.243 0.001 1 343 52 52 GLU HA H 4.079 0.003 1 344 52 52 GLU HB2 H 2.115 0.003 1 345 52 52 GLU HB3 H 2.115 0.003 1 346 52 52 GLU C C 178.923 0.009 1 347 52 52 GLU CA C 58.962 0.054 1 348 52 52 GLU CB C 29.521 0.124 1 349 52 52 GLU N N 119.722 0.013 1 350 53 53 ASP H H 8.366 0.001 1 351 53 53 ASP HA H 4.465 0.003 1 352 53 53 ASP HB2 H 2.759 0.003 1 353 53 53 ASP HB3 H 2.759 0.003 1 354 53 53 ASP C C 178.582 0.019 1 355 53 53 ASP CA C 57.009 0.087 1 356 53 53 ASP CB C 40.381 0.069 1 357 53 53 ASP N N 121.155 0.011 1 358 54 54 GLU H H 8.232 0.001 1 359 54 54 GLU HA H 4.113 0.003 1 360 54 54 GLU HB2 H 2.116 0.003 1 361 54 54 GLU HB3 H 2.116 0.003 1 362 54 54 GLU C C 178.749 0.004 1 363 54 54 GLU CA C 59.093 0.044 1 364 54 54 GLU CB C 29.511 0.083 1 365 54 54 GLU N N 120.646 0.017 1 366 55 55 GLN H H 8.024 0.001 1 367 55 55 GLN HE21 H 6.843 0.005 1 368 55 55 GLN HE22 H 7.646 0.001 1 369 55 55 GLN C C 178.026 0.005 1 370 55 55 GLN CA C 58.476 0.008 1 371 55 55 GLN CB C 28.133 0.037 1 372 55 55 GLN CG C 33.597 0.017 1 373 55 55 GLN CD C 180.159 0.035 1 374 55 55 GLN N N 119.310 0.007 1 375 55 55 GLN NE2 N 112.205 0.056 1 376 56 56 ARG H H 8.094 0.001 1 377 56 56 ARG C C 179.006 0.007 1 378 56 56 ARG CA C 58.814 0.008 1 379 56 56 ARG CB C 29.786 0.001 1 380 56 56 ARG N N 119.892 0.019 1 381 57 57 GLU H H 8.103 0.003 1 382 57 57 GLU C C 178.310 0.001 1 383 57 57 GLU CA C 58.821 0.006 1 384 57 57 GLU CB C 29.476 0.017 1 385 57 57 GLU N N 119.965 0.011 1 386 58 58 ARG H H 8.103 0.001 1 387 58 58 ARG HA H 4.189 0.003 1 388 58 58 ARG HB2 H 1.930 0.003 1 389 58 58 ARG HB3 H 1.930 0.003 1 390 58 58 ARG C C 178.860 0.008 1 391 58 58 ARG CA C 58.804 0.015 1 392 58 58 ARG CB C 30.412 0.010 1 393 58 58 ARG N N 119.760 0.003 1 394 59 59 GLU H H 8.079 0.001 1 395 59 59 GLU HA H 4.126 0.003 1 396 59 59 GLU HB2 H 2.086 0.003 1 397 59 59 GLU HB3 H 2.086 0.003 1 398 59 59 GLU C C 178.223 0.005 1 399 59 59 GLU CA C 58.403 0.014 1 400 59 59 GLU CB C 29.314 0.016 1 401 59 59 GLU N N 119.433 0.007 1 402 60 60 ARG H H 7.961 0.001 1 403 60 60 ARG HA H 4.064 0.003 1 404 60 60 ARG HB2 H 1.922 0.003 1 405 60 60 ARG HB3 H 1.922 0.003 1 406 60 60 ARG C C 178.104 0.014 1 407 60 60 ARG CA C 58.693 0.032 1 408 60 60 ARG CB C 30.248 0.002 1 409 60 60 ARG N N 120.426 0.012 1 410 61 61 ASP H H 8.190 0.001 1 411 61 61 ASP HA H 4.473 0.003 1 412 61 61 ASP HB2 H 2.734 0.003 1 413 61 61 ASP HB3 H 2.734 0.003 1 414 61 61 ASP C C 177.686 0.006 1 415 61 61 ASP CA C 56.230 0.070 1 416 61 61 ASP CB C 40.930 0.061 1 417 61 61 ASP N N 119.968 0.008 1 418 62 62 ARG H H 8.081 0.001 1 419 62 62 ARG HA H 4.164 0.003 1 420 62 62 ARG HB2 H 1.920 0.003 1 421 62 62 ARG HB3 H 1.920 0.003 1 422 62 62 ARG C C 178.025 0.005 1 423 62 62 ARG CA C 58.228 0.042 1 424 62 62 ARG CB C 30.284 0.002 1 425 62 62 ARG N N 120.538 0.019 1 426 63 63 ARG H H 8.063 0.001 1 427 63 63 ARG HA H 4.143 0.003 1 428 63 63 ARG HB2 H 1.884 0.003 1 429 63 63 ARG HB3 H 1.884 0.003 1 430 63 63 ARG C C 177.410 0.004 1 431 63 63 ARG CA C 57.961 0.031 1 432 63 63 ARG CB C 30.147 0.023 1 433 63 63 ARG N N 119.541 0.013 1 434 64 64 ARG H H 8.021 0.001 1 435 64 64 ARG HA H 4.186 0.003 1 436 64 64 ARG HB2 H 1.822 0.003 1 437 64 64 ARG HB3 H 1.822 0.003 1 438 64 64 ARG C C 177.171 0.004 1 439 64 64 ARG CA C 57.559 0.045 1 440 64 64 ARG CB C 30.278 0.083 1 441 64 64 ARG N N 119.926 0.028 1 442 65 65 HIS H H 8.136 0.001 1 443 65 65 HIS HA H 4.489 0.003 1 444 65 65 HIS HB2 H 3.151 0.003 1 445 65 65 HIS HB3 H 3.151 0.003 1 446 65 65 HIS C C 176.356 0.002 1 447 65 65 HIS CA C 57.583 0.025 1 448 65 65 HIS CB C 30.328 0.089 1 449 65 65 HIS N N 119.194 0.008 1 450 66 66 ARG H H 8.135 0.002 1 451 66 66 ARG HA H 4.208 0.003 1 452 66 66 ARG HB2 H 1.852 0.003 1 453 66 66 ARG HB3 H 1.852 0.003 1 454 66 66 ARG C C 177.015 0.009 1 455 66 66 ARG CA C 57.172 0.022 1 456 66 66 ARG CB C 30.538 0.040 1 457 66 66 ARG N N 121.268 0.014 1 458 67 67 GLU H H 8.354 0.001 1 459 67 67 GLU HA H 4.205 0.003 1 460 67 67 GLU HB2 H 2.029 0.003 1 461 67 67 GLU HB3 H 2.029 0.003 1 462 67 67 GLU C C 177.234 0.002 1 463 67 67 GLU CA C 57.186 0.031 1 464 67 67 GLU CB C 29.863 0.034 1 465 67 67 GLU N N 120.772 0.007 1 466 68 68 MET H H 8.247 0.001 1 467 68 68 MET HA H 4.423 0.003 1 468 68 68 MET HB2 H 2.076 0.003 1 469 68 68 MET HB3 H 2.076 0.003 1 470 68 68 MET C C 176.765 0.006 1 471 68 68 MET CA C 56.140 0.047 1 472 68 68 MET CB C 32.615 0.159 1 473 68 68 MET N N 120.184 0.022 1 474 69 69 SER H H 8.145 0.002 1 475 69 69 SER HA H 4.373 0.003 1 476 69 69 SER HB2 H 3.857 0.003 1 477 69 69 SER HB3 H 3.857 0.003 1 478 69 69 SER C C 174.439 0.006 1 479 69 69 SER CA C 58.942 0.056 1 480 69 69 SER CB C 63.659 0.020 1 481 69 69 SER N N 116.109 0.037 1 482 70 70 LYS H H 8.088 0.002 1 483 70 70 LYS HA H 4.312 0.003 1 484 70 70 LYS HB2 H 1.773 0.003 2 485 70 70 LYS HB3 H 1.838 0.003 2 486 70 70 LYS C C 176.138 0.008 1 487 70 70 LYS CA C 56.431 0.040 1 488 70 70 LYS CB C 32.876 0.084 1 489 70 70 LYS N N 122.382 0.039 1 490 71 71 LEU H H 8.099 0.001 1 491 71 71 LEU HA H 4.342 0.003 1 492 71 71 LEU HB2 H 1.609 0.003 1 493 71 71 LEU HB3 H 1.609 0.003 1 494 71 71 LEU C C 176.140 0.005 1 495 71 71 LEU CA C 55.119 0.037 1 496 71 71 LEU CB C 42.160 0.036 1 497 71 71 LEU N N 123.066 0.010 1 498 72 72 LEU H H 7.651 0.002 1 499 72 72 LEU C C 182.274 0.004 1 500 72 72 LEU CA C 56.639 0.019 1 501 72 72 LEU CB C 43.466 0.030 1 502 72 72 LEU N N 128.121 0.005 1 stop_ save_