data_30404 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; NMR structure of the Rous sarcoma virus matrix protein (M-domain) in the presence of myo-inositol hexakisphosphate ; _BMRB_accession_number 30404 _BMRB_flat_file_name bmr30404.str _Entry_type original _Submission_date 2018-02-11 _Accession_date 2018-02-11 _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 Vlach J. . . 2 Saad J. S. . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 503 "13C chemical shifts" 379 "15N chemical shifts" 87 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2018-10-15 original BMRB . stop_ _Original_release_date 2018-02-21 save_ ############################# # Citation for this entry # ############################# save_citation_1 _Saveframe_category entry_citation _Citation_full . _Citation_title ; Interactions of ASV matrix protein with phospholipids ; _Citation_status 'in preparation' _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 Vlach J. . . 2 Eastep G. N. . 3 Ghanam R. . . 4 Saad J. S. . stop_ _Journal_abbreviation . _Journal_volume . _Journal_issue . _Journal_CSD 0353 _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first . _Page_last . _Year . _Details . save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name 'Gag-Pol polyprotein (E.C.2.7.7.-,3.1.-.-)' _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label entity_1 $entity_1 stop_ _System_molecular_weight . _System_oligomer_state ? _System_paramagnetic no _System_thiol_state . _Database_query_date . _Details . save_ ######################## # Monomeric polymers # ######################## save_entity_1 _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common entity_1 _Molecular_mass 9209.771 _Mol_thiol_state 'all free' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 87 _Mol_residue_sequence ; SEAVIKVISSACKTYCGKTS PSKKEIGAMLSLLQKEGLLM SPSDLYSPGSWDPITAALSQ RAMILGKSGELKTWGLVLGA LKAAREE ; loop_ _Residue_seq_code _Residue_label 1 SER 2 GLU 3 ALA 4 VAL 5 ILE 6 LYS 7 VAL 8 ILE 9 SER 10 SER 11 ALA 12 CYS 13 LYS 14 THR 15 TYR 16 CYS 17 GLY 18 LYS 19 THR 20 SER 21 PRO 22 SER 23 LYS 24 LYS 25 GLU 26 ILE 27 GLY 28 ALA 29 MET 30 LEU 31 SER 32 LEU 33 LEU 34 GLN 35 LYS 36 GLU 37 GLY 38 LEU 39 LEU 40 MET 41 SER 42 PRO 43 SER 44 ASP 45 LEU 46 TYR 47 SER 48 PRO 49 GLY 50 SER 51 TRP 52 ASP 53 PRO 54 ILE 55 THR 56 ALA 57 ALA 58 LEU 59 SER 60 GLN 61 ARG 62 ALA 63 MET 64 ILE 65 LEU 66 GLY 67 LYS 68 SER 69 GLY 70 GLU 71 LEU 72 LYS 73 THR 74 TRP 75 GLY 76 LEU 77 VAL 78 LEU 79 GLY 80 ALA 81 LEU 82 LYS 83 ALA 84 ALA 85 ARG 86 GLU 87 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 _Strain _Gene_mnemonic $entity_1 RSV-PrC 11888 Viruses . Alpharetrovirus 'Rous sarcoma virus' 'Prague C' gag-pol 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 $entity_1 'recombinant technology' . Escherichia coli . . stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Saveframe_category sample _Sample_type solution _Details '0.5 mM [U-95% 15N] Matrix protein, 50 mM sodium phosphate, 2 mM tcep, 2 mM IP6, 95% H2O/5% D2O' loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $entity_1 0.5 mM '[U-95% 15N]' 'sodium phosphate' 50 mM 'natural abundance' tcep 2 mM 'natural abundance' IP6 2 mM 'natural abundance' stop_ save_ save_sample_2 _Saveframe_category sample _Sample_type solution _Details '0.5 mM [U-95% 13C; U-95% 15N] Matrix protein, 50 mM sodium phosphate, 2 mM tcep, 2 mM IP6, 95% H2O/5% D2O' loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $entity_1 0.5 mM '[U-95% 13C; U-95% 15N]' 'sodium phosphate' 50 mM 'natural abundance' tcep 2 mM 'natural abundance' IP6 2 mM 'natural abundance' stop_ save_ ############################ # Computer software used # ############################ save_software_1 _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_ save_software_2 _Saveframe_category software _Name Analysis _Version . loop_ _Vendor _Address _Electronic_address CCPN . . stop_ loop_ _Task 'chemical shift assignment' stop_ _Details . save_ save_software_3 _Saveframe_category software _Name CYANA _Version . loop_ _Vendor _Address _Electronic_address 'Guntert, Mumenthaler and Wuthrich' . . stop_ loop_ _Task 'structure calculation' stop_ _Details . save_ save_software_4 _Saveframe_category software _Name unio _Version . loop_ _Vendor _Address _Electronic_address Herrmann . . stop_ loop_ _Task 'structure calculation' stop_ _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_NMR_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model AvanceII _Field_strength 700 _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_1H-13C_HSQC_2 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-13C HSQC' _Sample_label $sample_2 save_ save_3D_HNCA_3 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCA' _Sample_label $sample_2 save_ save_3D_HN(CO)CA_4 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HN(CO)CA' _Sample_label $sample_2 save_ save_3D_HNCACB_5 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCACB' _Sample_label $sample_2 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' 0.05 . M pH 6 . pH pressure 1 . atm temperature 305 . K stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chem_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 0.000 internal indirect . . . 0.25144953 DSS H 1 'methyl protons' ppm 0.000 internal direct . . . 1.0 DSS N 15 'methyl protons' ppm 0.000 internal indirect . . . 0.10132912 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_chemical_shifts_1 _Saveframe_category assigned_chemical_shifts _Details . loop_ _Experiment_label '2D 1H-15N HSQC' '2D 1H-13C HSQC' '3D HNCA' '3D HN(CO)CA' '3D HNCACB' stop_ loop_ _Sample_label $sample_1 $sample_2 stop_ _Sample_conditions_label $sample_conditions_1 _Chem_shift_reference_set_label $chem_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 1 1 SER HA H 4.088 0.013 1 2 1 1 SER HB2 H 3.962 . 1 3 1 1 SER HB3 H 3.962 . 1 4 1 1 SER CA C 57.341 0.038 1 5 1 1 SER CB C 64.040 0.0 1 6 2 2 GLU HA H 4.32 0.01 1 7 2 2 GLU HB2 H 2.002 0.001 2 8 2 2 GLU HB3 H 2.113 0.001 2 9 2 2 GLU HG2 H 2.341 0.001 1 10 2 2 GLU HG3 H 2.341 0.001 1 11 2 2 GLU C C 176.901 . 1 12 2 2 GLU CA C 57.039 0.092 1 13 2 2 GLU CB C 30.193 0.014 1 14 2 2 GLU CG C 36.342 0.037 1 15 3 3 ALA H H 8.668 0.007 1 16 3 3 ALA HA H 4.176 0.006 1 17 3 3 ALA HB H 1.493 0.003 1 18 3 3 ALA C C 179.455 . 1 19 3 3 ALA CA C 54.734 0.069 1 20 3 3 ALA CB C 18.711 0.03 1 21 3 3 ALA N N 126.336 0.059 1 22 4 4 VAL H H 8.34 0.005 1 23 4 4 VAL HA H 3.964 0.002 1 24 4 4 VAL HB H 1.999 0.001 1 25 4 4 VAL HG1 H 0.825 0.003 2 26 4 4 VAL HG2 H 0.974 0.002 2 27 4 4 VAL C C 177.709 . 1 28 4 4 VAL CA C 65.513 0.033 1 29 4 4 VAL CB C 31.637 0.03 1 30 4 4 VAL CG1 C 20.877 0.041 2 31 4 4 VAL CG2 C 22.202 0.033 2 32 4 4 VAL N N 118.924 0.047 1 33 5 5 ILE H H 7.856 0.004 1 34 5 5 ILE HA H 3.541 0.004 1 35 5 5 ILE HB H 1.946 0.003 1 36 5 5 ILE HG12 H 0.96 0.003 2 37 5 5 ILE HG13 H 1.641 0.005 2 38 5 5 ILE HG2 H 0.928 0.006 1 39 5 5 ILE HD1 H 0.94 0.003 1 40 5 5 ILE C C 177.557 . 1 41 5 5 ILE CA C 65.562 0.047 1 42 5 5 ILE CB C 37.383 0.049 1 43 5 5 ILE CG1 C 30.146 0.044 1 44 5 5 ILE CG2 C 17.356 0.031 1 45 5 5 ILE CD1 C 13.362 0.037 1 46 5 5 ILE N N 118.568 0.022 1 47 6 6 LYS H H 7.565 0.004 1 48 6 6 LYS HA H 4.042 0.005 1 49 6 6 LYS HB2 H 1.99 0.007 1 50 6 6 LYS HB3 H 1.99 0.007 1 51 6 6 LYS HG3 H 1.537 . 1 52 6 6 LYS HD2 H 1.687 . 1 53 6 6 LYS HD3 H 1.687 . 1 54 6 6 LYS HE2 H 2.976 0.004 1 55 6 6 LYS HE3 H 2.976 0.004 1 56 6 6 LYS C C 179.100 . 1 57 6 6 LYS CA C 59.711 0.031 1 58 6 6 LYS CB C 32.085 0.069 1 59 6 6 LYS CG C 25.248 0.036 1 60 6 6 LYS CD C 29.260 0.002 1 61 6 6 LYS CE C 42.110 0.018 1 62 6 6 LYS N N 120.238 0.026 1 63 7 7 VAL H H 7.832 0.005 1 64 7 7 VAL HA H 3.74 0.001 1 65 7 7 VAL HB H 2.404 0.004 1 66 7 7 VAL HG1 H 0.954 0.002 2 67 7 7 VAL HG2 H 1.088 0.003 2 68 7 7 VAL C C 179.677 . 1 69 7 7 VAL CA C 66.719 0.051 1 70 7 7 VAL CB C 31.893 0.032 1 71 7 7 VAL CG1 C 21.207 0.026 2 72 7 7 VAL CG2 C 22.593 0.031 2 73 7 7 VAL N N 121.255 0.052 1 74 8 8 ILE H H 8.514 0.003 1 75 8 8 ILE HA H 3.732 0.002 1 76 8 8 ILE HB H 1.932 0.003 1 77 8 8 ILE HG12 H 1.176 0.004 2 78 8 8 ILE HG13 H 1.952 0.003 2 79 8 8 ILE HG2 H 0.929 0.003 1 80 8 8 ILE HD1 H 0.765 0.005 1 81 8 8 ILE C C 178.166 . 1 82 8 8 ILE CA C 65.221 0.042 1 83 8 8 ILE CB C 37.880 0.051 1 84 8 8 ILE CG1 C 28.957 0.036 1 85 8 8 ILE CG2 C 19.708 0.047 1 86 8 8 ILE CD1 C 13.768 0.042 1 87 8 8 ILE N N 119.974 0.028 1 88 9 9 SER H H 8.875 0.005 1 89 9 9 SER HA H 3.933 . 1 90 9 9 SER HB2 H 3.943 . 2 91 9 9 SER HB3 H 3.999 . 2 92 9 9 SER C C 176.913 . 1 93 9 9 SER CA C 62.421 0.035 1 94 9 9 SER CB C 62.861 0.053 1 95 9 9 SER N N 115.534 0.035 1 96 10 10 SER H H 8.26 0.006 1 97 10 10 SER HA H 4.217 0.005 1 98 10 10 SER HB2 H 3.962 0.001 2 99 10 10 SER HB3 H 4.069 0.001 2 100 10 10 SER C C 176.850 . 1 101 10 10 SER CA C 62.165 0.049 1 102 10 10 SER CB C 62.786 0.043 1 103 10 10 SER N N 115.552 0.034 1 104 11 11 ALA H H 7.995 0.006 1 105 11 11 ALA HA H 4.323 0.003 1 106 11 11 ALA HB H 1.568 0.003 1 107 11 11 ALA C C 180.627 . 1 108 11 11 ALA CA C 55.368 0.036 1 109 11 11 ALA CB C 17.012 0.046 1 110 11 11 ALA N N 124.684 0.039 1 111 12 12 CYS H H 8.67 0.005 1 112 12 12 CYS HA H 4.212 0.002 1 113 12 12 CYS HB2 H 2.992 0.005 2 114 12 12 CYS HB3 H 3.179 0.004 2 115 12 12 CYS C C 177.025 . 1 116 12 12 CYS CA C 64.244 0.051 1 117 12 12 CYS CB C 27.412 0.042 1 118 12 12 CYS N N 117.059 0.049 1 119 13 13 LYS H H 8.631 0.004 1 120 13 13 LYS HA H 3.989 0.003 1 121 13 13 LYS HB2 H 1.953 0.001 2 122 13 13 LYS HB3 H 1.876 0.002 2 123 13 13 LYS HG2 H 1.432 0.005 2 124 13 13 LYS HG3 H 1.653 0.004 2 125 13 13 LYS HD2 H 1.636 0.01 1 126 13 13 LYS HD3 H 1.636 0.01 1 127 13 13 LYS HE2 H 2.926 0.005 1 128 13 13 LYS HE3 H 2.926 0.005 1 129 13 13 LYS C C 179.631 . 1 130 13 13 LYS CA C 60.285 0.053 1 131 13 13 LYS CB C 32.087 0.066 1 132 13 13 LYS CG C 25.682 0.055 1 133 13 13 LYS CD C 29.269 0.08 1 134 13 13 LYS CE C 42.102 0.009 1 135 13 13 LYS N N 121.764 0.048 1 136 14 14 THR H H 7.748 0.004 1 137 14 14 THR HA H 3.842 0.001 1 138 14 14 THR HB H 3.993 0.002 1 139 14 14 THR HG2 H 0.762 0.003 1 140 14 14 THR C C 175.499 . 1 141 14 14 THR CA C 66.208 0.04 1 142 14 14 THR CB C 69.143 0.039 1 143 14 14 THR CG2 C 21.179 0.013 1 144 14 14 THR N N 114.650 0.023 1 145 15 15 TYR H H 7.97 0.005 1 146 15 15 TYR HA H 4.549 0.002 1 147 15 15 TYR HB2 H 2.935 0.003 2 148 15 15 TYR HB3 H 3.111 0.011 2 149 15 15 TYR HD1 H 7.24 0.001 1 150 15 15 TYR HD2 H 7.24 0.001 1 151 15 15 TYR HE1 H 6.761 . 1 152 15 15 TYR HE2 H 6.761 . 1 153 15 15 TYR C C 177.215 . 1 154 15 15 TYR CA C 60.781 0.045 1 155 15 15 TYR CB C 39.968 0.043 1 156 15 15 TYR CD1 C 133.517 . 1 157 15 15 TYR CD2 C 133.517 . 1 158 15 15 TYR CE1 C 117.904 . 1 159 15 15 TYR CE2 C 117.904 . 1 160 15 15 TYR N N 118.128 0.044 1 161 16 16 CYS H H 9.041 0.004 1 162 16 16 CYS HA H 4.351 0.003 1 163 16 16 CYS HB2 H 2.858 0.003 2 164 16 16 CYS HB3 H 3.068 0.002 2 165 16 16 CYS C C 176.276 . 1 166 16 16 CYS CA C 59.071 0.029 1 167 16 16 CYS CB C 27.960 0.036 1 168 16 16 CYS N N 116.004 0.026 1 169 17 17 GLY H H 7.728 0.005 1 170 17 17 GLY HA2 H 3.852 0.002 2 171 17 17 GLY HA3 H 3.973 0.002 2 172 17 17 GLY C C 176.338 . 1 173 17 17 GLY CA C 46.693 0.036 1 174 17 17 GLY N N 109.203 0.043 1 175 18 18 LYS H H 8.924 0.004 1 176 18 18 LYS HA H 4.203 0.005 1 177 18 18 LYS HB2 H 1.878 0.002 1 178 18 18 LYS HB3 H 1.878 0.002 1 179 18 18 LYS HG2 H 1.523 0.002 1 180 18 18 LYS HG3 H 1.523 0.002 1 181 18 18 LYS HD2 H 1.702 . 1 182 18 18 LYS HD3 H 1.702 . 1 183 18 18 LYS HE2 H 2.992 0.014 1 184 18 18 LYS HE3 H 2.992 0.014 1 185 18 18 LYS C C 177.302 . 1 186 18 18 LYS CA C 58.091 0.051 1 187 18 18 LYS CB C 32.152 0.028 1 188 18 18 LYS CG C 24.879 0.03 1 189 18 18 LYS CD C 28.890 0.005 1 190 18 18 LYS CE C 42.021 0.078 1 191 18 18 LYS N N 125.564 0.057 1 192 19 19 THR H H 7.573 0.003 1 193 19 19 THR HA H 4.376 0.001 1 194 19 19 THR HB H 4.385 0.006 1 195 19 19 THR HG2 H 1.198 0.002 1 196 19 19 THR C C 173.411 . 1 197 19 19 THR CA C 61.113 0.057 1 198 19 19 THR CB C 68.890 0.048 1 199 19 19 THR CG2 C 22.145 0.024 1 200 19 19 THR N N 109.554 0.008 1 201 20 20 SER H H 7.465 0.007 1 202 20 20 SER HA H 4.21 0.005 1 203 20 20 SER HB2 H 3.735 0.002 2 204 20 20 SER HB3 H 3.765 0.002 2 205 20 20 SER CA C 57.181 0.028 1 206 20 20 SER CB C 64.084 0.037 1 207 20 20 SER N N 115.789 0.037 1 208 21 21 PRO HA H 4.745 0.0 1 209 21 21 PRO HB2 H 1.891 0.003 2 210 21 21 PRO HB3 H 2.437 0.005 2 211 21 21 PRO HG2 H 1.992 0.005 2 212 21 21 PRO HG3 H 2.073 0.004 2 213 21 21 PRO HD2 H 3.914 0.002 2 214 21 21 PRO HD3 H 3.716 0.003 2 215 21 21 PRO C C 175.836 . 1 216 21 21 PRO CA C 62.519 0.063 1 217 21 21 PRO CB C 32.710 0.05 1 218 21 21 PRO CG C 27.785 0.042 1 219 21 21 PRO CD C 51.219 0.032 1 220 22 22 SER H H 8.829 0.004 1 221 22 22 SER HA H 4.543 0.005 1 222 22 22 SER HB2 H 4.046 0.004 2 223 22 22 SER HB3 H 4.495 0.004 2 224 22 22 SER C C 175.442 . 1 225 22 22 SER CA C 56.969 0.04 1 226 22 22 SER CB C 65.766 0.043 1 227 22 22 SER N N 118.223 0.025 1 228 23 23 LYS H H 9.365 0.005 1 229 23 23 LYS HA H 3.844 0.002 1 230 23 23 LYS HB2 H 1.846 0.002 2 231 23 23 LYS HB3 H 1.997 0.002 2 232 23 23 LYS HG2 H 1.322 0.007 2 233 23 23 LYS HG3 H 1.732 0.006 2 234 23 23 LYS HD2 H 1.796 0.001 1 235 23 23 LYS HD3 H 1.796 0.001 1 236 23 23 LYS HE2 H 2.978 0.002 2 237 23 23 LYS HE3 H 2.978 0.002 2 238 23 23 LYS C C 180.105 . 1 239 23 23 LYS CA C 61.329 0.049 1 240 23 23 LYS CB C 31.722 0.062 1 241 23 23 LYS CG C 26.267 0.076 1 242 23 23 LYS CD C 29.465 0.055 1 243 23 23 LYS CE C 41.640 0.025 1 244 23 23 LYS N N 122.098 0.02 1 245 24 24 LYS H H 8.336 0.004 1 246 24 24 LYS HA H 4.067 0.007 1 247 24 24 LYS HB2 H 1.806 0.002 2 248 24 24 LYS HB3 H 1.846 0.004 2 249 24 24 LYS HG2 H 1.452 0.002 1 250 24 24 LYS HG3 H 1.452 0.002 1 251 24 24 LYS HE2 H 2.981 . 1 252 24 24 LYS HE3 H 2.981 . 1 253 24 24 LYS C C 179.898 . 1 254 24 24 LYS CA C 59.681 0.037 1 255 24 24 LYS CB C 32.321 0.051 1 256 24 24 LYS CG C 25.271 0.063 1 257 24 24 LYS CD C 29.162 0.021 1 258 24 24 LYS CE C 42.053 0.066 1 259 24 24 LYS N N 119.922 0.019 1 260 25 25 GLU H H 7.914 0.004 1 261 25 25 GLU HA H 4.056 . 1 262 25 25 GLU HB2 H 2.102 0.005 2 263 25 25 GLU HB3 H 2.425 0.005 2 264 25 25 GLU HG2 H 2.295 0.002 2 265 25 25 GLU HG3 H 2.295 0.002 2 266 25 25 GLU C C 180.762 . 1 267 25 25 GLU CA C 59.443 0.025 1 268 25 25 GLU CB C 29.445 0.036 1 269 25 25 GLU CG C 37.508 0.057 1 270 25 25 GLU N N 121.632 0.071 1 271 26 26 ILE H H 8.689 0.003 1 272 26 26 ILE HA H 3.524 0.003 1 273 26 26 ILE HB H 1.895 0.002 1 274 26 26 ILE HG12 H 0.604 0.004 2 275 26 26 ILE HG13 H 1.836 0.002 2 276 26 26 ILE HG2 H 0.896 0.003 1 277 26 26 ILE HD1 H 0.767 0.004 1 278 26 26 ILE C C 178.075 . 1 279 26 26 ILE CA C 66.364 0.043 1 280 26 26 ILE CB C 38.182 0.025 1 281 26 26 ILE CG1 C 29.601 0.047 1 282 26 26 ILE CG2 C 18.374 0.047 1 283 26 26 ILE CD1 C 13.686 0.085 1 284 26 26 ILE N N 122.500 0.03 1 285 27 27 GLY H H 8.892 0.004 1 286 27 27 GLY HA2 H 3.74 0.002 2 287 27 27 GLY HA3 H 4.059 0.0 2 288 27 27 GLY C C 176.311 . 1 289 27 27 GLY CA C 47.600 0.019 1 290 27 27 GLY N N 107.562 0.046 1 291 28 28 ALA H H 8.278 0.004 1 292 28 28 ALA HA H 4.24 0.003 1 293 28 28 ALA HB H 1.553 0.002 1 294 28 28 ALA C C 180.741 . 1 295 28 28 ALA CA C 55.082 0.039 1 296 28 28 ALA CB C 18.139 0.042 1 297 28 28 ALA N N 125.004 0.048 1 298 29 29 MET H H 7.838 0.004 1 299 29 29 MET HA H 3.887 0.002 1 300 29 29 MET HB2 H 2.344 0.003 2 301 29 29 MET HB3 H 2.591 0.007 2 302 29 29 MET HG2 H 2.267 0.002 2 303 29 29 MET HG3 H 2.664 0.002 2 304 29 29 MET HE H 2.135 0.005 1 305 29 29 MET C C 177.243 . 1 306 29 29 MET CA C 59.567 0.06 1 307 29 29 MET CB C 32.743 0.04 1 308 29 29 MET CG C 30.993 0.043 1 309 29 29 MET CE C 16.838 0.051 1 310 29 29 MET N N 119.848 0.016 1 311 30 30 LEU H H 8.627 0.003 1 312 30 30 LEU HA H 3.863 0.002 1 313 30 30 LEU HB2 H 1.578 0.001 2 314 30 30 LEU HB3 H 1.881 0.003 2 315 30 30 LEU HG H 1.811 0.004 1 316 30 30 LEU HD1 H 0.791 0.001 2 317 30 30 LEU HD2 H 0.821 0.003 2 318 30 30 LEU C C 179.090 . 1 319 30 30 LEU CA C 58.701 0.042 1 320 30 30 LEU CB C 41.818 0.034 1 321 30 30 LEU CG C 27.102 0.089 1 322 30 30 LEU CD1 C 24.100 0.02 2 323 30 30 LEU CD2 C 25.970 0.041 2 324 30 30 LEU N N 119.097 0.023 1 325 31 31 SER H H 8.424 0.004 1 326 31 31 SER HA H 4.24 0.001 1 327 31 31 SER HB2 H 3.957 . 2 328 31 31 SER HB3 H 3.995 0.001 2 329 31 31 SER C C 177.032 . 1 330 31 31 SER CA C 61.837 0.049 1 331 31 31 SER CB C 62.858 0.022 1 332 31 31 SER N N 114.028 0.023 1 333 32 32 LEU H H 7.599 0.003 1 334 32 32 LEU HA H 4.177 0.003 1 335 32 32 LEU HB2 H 1.771 0.002 2 336 32 32 LEU HB3 H 1.944 0.001 2 337 32 32 LEU HG H 1.438 0.003 1 338 32 32 LEU HD1 H 0.858 0.002 2 339 32 32 LEU HD2 H 0.735 0.003 2 340 32 32 LEU C C 178.242 . 1 341 32 32 LEU CA C 58.190 0.023 1 342 32 32 LEU CB C 41.428 0.044 1 343 32 32 LEU CG C 27.151 0.077 1 344 32 32 LEU CD1 C 23.855 0.026 2 345 32 32 LEU CD2 C 25.780 0.059 2 346 32 32 LEU N N 122.951 0.048 1 347 33 33 LEU H H 8.052 0.005 1 348 33 33 LEU HA H 3.778 0.001 1 349 33 33 LEU HB2 H 1.157 0.002 2 350 33 33 LEU HB3 H 1.973 0.001 2 351 33 33 LEU HG H 2.08 0.003 1 352 33 33 LEU HD1 H 0.594 0.004 2 353 33 33 LEU HD2 H 0.687 0.001 2 354 33 33 LEU C C 179.455 . 1 355 33 33 LEU CA C 57.945 0.024 1 356 33 33 LEU CB C 41.617 0.043 1 357 33 33 LEU CG C 26.372 0.034 1 358 33 33 LEU CD1 C 23.608 0.03 2 359 33 33 LEU CD2 C 26.173 0.031 2 360 33 33 LEU N N 116.423 0.019 1 361 34 34 GLN H H 8.127 0.004 1 362 34 34 GLN HA H 4.37 0.003 1 363 34 34 GLN HB2 H 2.194 0.0 1 364 34 34 GLN HB3 H 2.194 0.0 1 365 34 34 GLN HG2 H 2.214 0.004 2 366 34 34 GLN HG3 H 2.448 0.002 2 367 34 34 GLN HE21 H 7.204 . 1 368 34 34 GLN HE22 H 6.853 . 1 369 34 34 GLN C C 179.918 . 1 370 34 34 GLN CA C 59.024 0.024 1 371 34 34 GLN CB C 29.336 0.024 1 372 34 34 GLN CG C 34.937 0.039 1 373 34 34 GLN N N 117.777 0.025 1 374 34 34 GLN NE2 N 109.926 0.002 1 375 35 35 LYS H H 8.377 0.005 1 376 35 35 LYS HA H 4.051 0.006 1 377 35 35 LYS HB2 H 2.031 0.002 1 378 35 35 LYS HB3 H 2.031 0.002 1 379 35 35 LYS HG2 H 1.577 0.003 1 380 35 35 LYS HG3 H 1.577 0.003 1 381 35 35 LYS HE2 H 2.966 0.002 1 382 35 35 LYS HE3 H 2.966 0.002 1 383 35 35 LYS C C 178.945 . 1 384 35 35 LYS CA C 59.626 0.067 1 385 35 35 LYS CB C 32.277 0.026 1 386 35 35 LYS CG C 25.162 0.032 1 387 35 35 LYS CD C 29.255 0.03 1 388 35 35 LYS CE C 42.059 0.057 1 389 35 35 LYS N N 123.281 0.035 1 390 36 36 GLU H H 8.061 0.004 1 391 36 36 GLU HA H 4.278 0.001 1 392 36 36 GLU HB2 H 1.736 0.003 2 393 36 36 GLU HB3 H 2.321 0.002 2 394 36 36 GLU HG2 H 2.138 0.001 2 395 36 36 GLU HG3 H 2.355 . 2 396 36 36 GLU C C 176.531 . 1 397 36 36 GLU CA C 56.001 0.027 1 398 36 36 GLU CB C 30.078 0.064 1 399 36 36 GLU CG C 36.412 0.021 1 400 36 36 GLU N N 114.621 0.048 1 401 37 37 GLY H H 7.69 0.004 1 402 37 37 GLY HA2 H 3.841 0.001 2 403 37 37 GLY HA3 H 4.045 0.003 2 404 37 37 GLY C C 174.569 . 1 405 37 37 GLY CA C 46.005 0.033 1 406 37 37 GLY N N 106.814 0.082 1 407 38 38 LEU H H 7.902 0.005 1 408 38 38 LEU HA H 4.196 0.003 1 409 38 38 LEU HB2 H 1.425 0.004 2 410 38 38 LEU HB3 H 1.58 0.002 2 411 38 38 LEU HG H 1.465 0.002 1 412 38 38 LEU HD1 H 0.741 0.002 2 413 38 38 LEU HD2 H 0.736 0.0 2 414 38 38 LEU C C 175.444 . 1 415 38 38 LEU CA C 55.160 0.027 1 416 38 38 LEU CB C 43.107 0.028 1 417 38 38 LEU CG C 27.491 0.072 1 418 38 38 LEU CD1 C 22.944 0.027 2 419 38 38 LEU CD2 C 25.806 0.045 2 420 38 38 LEU N N 118.881 0.019 1 421 39 39 LEU H H 7.009 0.004 1 422 39 39 LEU HA H 4.511 0.001 1 423 39 39 LEU HB2 H 1.15 0.001 2 424 39 39 LEU HB3 H 1.519 0.004 2 425 39 39 LEU HG H 1.308 0.001 1 426 39 39 LEU HD1 H 0.823 0.003 2 427 39 39 LEU HD2 H 0.842 0.003 2 428 39 39 LEU C C 175.800 . 1 429 39 39 LEU CA C 53.414 0.034 1 430 39 39 LEU CB C 45.044 0.028 1 431 39 39 LEU CG C 26.841 0.084 1 432 39 39 LEU CD1 C 26.037 0.037 2 433 39 39 LEU CD2 C 25.035 0.031 2 434 39 39 LEU N N 115.505 0.014 1 435 40 40 MET H H 9.078 0.005 1 436 40 40 MET HA H 4.518 0.003 1 437 40 40 MET HB2 H 2.107 0.003 2 438 40 40 MET HB3 H 2.173 0.002 2 439 40 40 MET HG2 H 2.483 0.004 2 440 40 40 MET HG3 H 2.669 0.001 2 441 40 40 MET HE H 2.069 0.001 1 442 40 40 MET C C 176.624 . 1 443 40 40 MET CA C 56.644 0.036 1 444 40 40 MET CB C 32.217 0.066 1 445 40 40 MET CG C 32.474 0.03 1 446 40 40 MET CE C 17.007 0.027 1 447 40 40 MET N N 123.344 0.026 1 448 41 41 SER H H 7.773 0.004 1 449 41 41 SER HA H 4.921 0.002 1 450 41 41 SER HB2 H 3.748 0.003 2 451 41 41 SER HB3 H 3.862 0.003 2 452 41 41 SER CA C 55.370 0.025 1 453 41 41 SER CB C 64.652 0.029 1 454 41 41 SER N N 114.110 0.036 1 455 42 42 PRO HA H 4.102 0.003 1 456 42 42 PRO HB2 H 1.967 0.003 2 457 42 42 PRO HB3 H 2.202 0.001 2 458 42 42 PRO HG2 H 1.96 0.005 2 459 42 42 PRO HG3 H 2.223 0.001 2 460 42 42 PRO HD2 H 3.854 0.002 2 461 42 42 PRO HD3 H 3.928 0.004 2 462 42 42 PRO C C 176.442 . 1 463 42 42 PRO CA C 65.917 0.036 1 464 42 42 PRO CB C 31.887 0.039 1 465 42 42 PRO CG C 27.905 0.03 1 466 42 42 PRO CD C 50.752 0.037 1 467 43 43 SER H H 7.748 0.004 1 468 43 43 SER HA H 3.763 0.002 1 469 43 43 SER HB2 H 3.826 0.004 2 470 43 43 SER HB3 H 4.016 . 2 471 43 43 SER C C 176.443 . 1 472 43 43 SER CA C 60.339 0.036 1 473 43 43 SER CB C 62.615 0.032 1 474 43 43 SER N N 107.891 0.054 1 475 44 44 ASP H H 8.226 0.006 1 476 44 44 ASP HA H 4.453 0.002 1 477 44 44 ASP HB2 H 2.841 0.003 2 478 44 44 ASP HB3 H 2.947 0.005 2 479 44 44 ASP C C 178.043 . 1 480 44 44 ASP CA C 57.164 0.029 1 481 44 44 ASP CB C 40.615 0.029 1 482 44 44 ASP N N 124.584 0.035 1 483 45 45 LEU H H 7.556 0.004 1 484 45 45 LEU HA H 4.24 0.003 1 485 45 45 LEU HB2 H 1.492 0.006 2 486 45 45 LEU HB3 H 1.62 0.0 2 487 45 45 LEU HG H 1.882 0.004 1 488 45 45 LEU HD1 H 0.845 0.003 2 489 45 45 LEU HD2 H 0.892 0.003 2 490 45 45 LEU C C 176.179 . 1 491 45 45 LEU CA C 56.542 0.033 1 492 45 45 LEU CB C 42.163 0.022 1 493 45 45 LEU CG C 26.623 0.081 1 494 45 45 LEU CD1 C 25.556 0.067 2 495 45 45 LEU CD2 C 25.271 0.045 2 496 45 45 LEU N N 118.135 0.025 1 497 46 46 TYR H H 7.203 0.004 1 498 46 46 TYR HA H 4.693 0.001 1 499 46 46 TYR HB2 H 2.979 0.003 2 500 46 46 TYR HB3 H 3.422 0.003 2 501 46 46 TYR HD1 H 7.163 0.0 1 502 46 46 TYR HD2 H 7.163 0.0 1 503 46 46 TYR HE1 H 6.724 0.001 1 504 46 46 TYR HE2 H 6.724 0.001 1 505 46 46 TYR C C 176.722 . 1 506 46 46 TYR CA C 57.306 0.053 1 507 46 46 TYR CB C 37.761 0.041 1 508 46 46 TYR CD1 C 132.243 . 1 509 46 46 TYR CD2 C 132.243 . 1 510 46 46 TYR CE1 C 117.642 . 1 511 46 46 TYR CE2 C 117.642 . 1 512 46 46 TYR N N 112.654 0.046 1 513 47 47 SER H H 7.506 0.004 1 514 47 47 SER HA H 4.702 0.002 1 515 47 47 SER HB2 H 3.933 . 1 516 47 47 SER HB3 H 3.933 . 1 517 47 47 SER CA C 54.718 0.033 1 518 47 47 SER CB C 63.835 0.028 1 519 47 47 SER N N 114.408 0.027 1 520 48 48 PRO HA H 1.676 0.002 1 521 48 48 PRO HB2 H 1.426 0.0 2 522 48 48 PRO HB3 H 1.443 0.0 2 523 48 48 PRO HG2 H 1.774 0.001 2 524 48 48 PRO HG3 H 1.417 0.001 2 525 48 48 PRO HD2 H 3.545 0.001 2 526 48 48 PRO HD3 H 3.934 0.002 2 527 48 48 PRO C C 178.419 . 1 528 48 48 PRO CA C 62.736 0.045 1 529 48 48 PRO CB C 31.680 0.018 1 530 48 48 PRO CG C 27.248 0.018 1 531 48 48 PRO CD C 50.917 0.04 1 532 49 49 GLY H H 7.964 0.005 1 533 49 49 GLY HA2 H 3.711 0.001 2 534 49 49 GLY HA3 H 3.85 0.002 2 535 49 49 GLY C C 175.072 . 1 536 49 49 GLY CA C 46.089 0.025 1 537 49 49 GLY N N 104.913 0.068 1 538 50 50 SER H H 7.958 0.005 1 539 50 50 SER HA H 4.43 0.002 1 540 50 50 SER HB2 H 3.899 0.002 2 541 50 50 SER HB3 H 4.065 0.001 2 542 50 50 SER C C 177.061 . 1 543 50 50 SER CA C 59.701 0.054 1 544 50 50 SER CB C 64.457 0.031 1 545 50 50 SER N N 114.858 0.02 1 546 51 51 TRP H H 7.245 0.004 1 547 51 51 TRP HA H 4.938 0.003 1 548 51 51 TRP HB2 H 3.486 0.001 2 549 51 51 TRP HB3 H 3.573 0.004 2 550 51 51 TRP HD1 H 7.108 0.004 1 551 51 51 TRP HE1 H 10.471 . 1 552 51 51 TRP HE3 H 7.643 0.001 1 553 51 51 TRP HZ2 H 7.189 . 1 554 51 51 TRP HZ3 H 7.026 0.001 1 555 51 51 TRP HH2 H 6.903 . 1 556 51 51 TRP C C 178.038 . 1 557 51 51 TRP CA C 59.420 0.043 1 558 51 51 TRP CB C 29.616 0.038 1 559 51 51 TRP CD1 C 125.111 0.02 1 560 51 51 TRP CE3 C 121.340 . 1 561 51 51 TRP CZ2 C 114.039 . 1 562 51 51 TRP CZ3 C 121.383 . 1 563 51 51 TRP CH2 C 123.475 . 1 564 51 51 TRP N N 122.345 0.028 1 565 51 51 TRP NE1 N 129.352 . 1 566 52 52 ASP H H 9.339 0.006 1 567 52 52 ASP HA H 4.852 0.002 1 568 52 52 ASP HB2 H 2.754 0.007 2 569 52 52 ASP HB3 H 2.905 0.0 2 570 52 52 ASP CA C 59.290 0.015 1 571 52 52 ASP CB C 37.453 0.032 1 572 52 52 ASP N N 120.147 0.022 1 573 53 53 PRO HA H 4.354 0.002 1 574 53 53 PRO HB2 H 1.9 0.005 2 575 53 53 PRO HB3 H 2.349 0.001 2 576 53 53 PRO HG2 H 1.99 0.0 2 577 53 53 PRO HG3 H 2.229 0.0 2 578 53 53 PRO HD2 H 3.693 0.001 2 579 53 53 PRO HD3 H 3.718 0.002 2 580 53 53 PRO C C 180.151 . 1 581 53 53 PRO CA C 66.013 0.037 1 582 53 53 PRO CB C 31.360 0.031 1 583 53 53 PRO CG C 28.106 0.016 1 584 53 53 PRO CD C 50.726 0.05 1 585 54 54 ILE H H 7.417 0.004 1 586 54 54 ILE HA H 3.377 0.002 1 587 54 54 ILE HB H 1.704 0.003 1 588 54 54 ILE HG12 H 0.569 0.003 2 589 54 54 ILE HG13 H 1.906 0.002 2 590 54 54 ILE HG2 H -0.705 0.003 1 591 54 54 ILE HD1 H 0.576 0.004 1 592 54 54 ILE C C 176.980 . 1 593 54 54 ILE CA C 66.422 0.041 1 594 54 54 ILE CB C 37.541 0.025 1 595 54 54 ILE CG1 C 30.333 0.041 1 596 54 54 ILE CG2 C 16.179 0.035 1 597 54 54 ILE CD1 C 14.224 0.058 1 598 54 54 ILE N N 119.010 0.022 1 599 55 55 THR H H 8.657 0.003 1 600 55 55 THR HA H 3.714 0.003 1 601 55 55 THR HB H 4.551 0.005 1 602 55 55 THR HG2 H 1.312 0.002 1 603 55 55 THR C C 177.418 . 1 604 55 55 THR CA C 67.473 0.041 1 605 55 55 THR CB C 68.717 0.021 1 606 55 55 THR CG2 C 22.646 0.039 1 607 55 55 THR N N 118.078 0.011 1 608 56 56 ALA H H 8.506 0.004 1 609 56 56 ALA HA H 4.132 0.002 1 610 56 56 ALA HB H 1.477 0.001 1 611 56 56 ALA C C 180.064 . 1 612 56 56 ALA CA C 55.527 0.048 1 613 56 56 ALA CB C 18.064 0.053 1 614 56 56 ALA N N 123.804 0.049 1 615 57 57 ALA H H 7.976 0.004 1 616 57 57 ALA HA H 4.177 0.003 1 617 57 57 ALA HB H 1.463 0.002 1 618 57 57 ALA C C 181.870 . 1 619 57 57 ALA CA C 55.155 0.045 1 620 57 57 ALA CB C 19.363 0.074 1 621 57 57 ALA N N 121.242 0.029 1 622 58 58 LEU H H 8.803 0.004 1 623 58 58 LEU HA H 4.079 0.005 1 624 58 58 LEU HB2 H 1.785 . 2 625 58 58 LEU HB3 H 1.236 0.002 2 626 58 58 LEU HG H 1.632 0.004 1 627 58 58 LEU HD1 H 0.61 0.004 2 628 58 58 LEU HD2 H 0.514 0.004 2 629 58 58 LEU C C 179.912 . 1 630 58 58 LEU CA C 57.464 0.02 1 631 58 58 LEU CB C 41.686 0.029 1 632 58 58 LEU CG C 26.447 0.086 1 633 58 58 LEU CD1 C 22.263 0.042 2 634 58 58 LEU CD2 C 25.768 0.047 2 635 58 58 LEU N N 117.539 0.032 1 636 59 59 SER H H 8.512 0.004 1 637 59 59 SER HA H 4.358 0.002 1 638 59 59 SER HB2 H 4.136 0.003 2 639 59 59 SER HB3 H 3.986 . 2 640 59 59 SER C C 176.437 . 1 641 59 59 SER CA C 62.431 0.024 1 642 59 59 SER CB C 62.601 0.041 1 643 59 59 SER N N 117.679 0.029 1 644 60 60 GLN H H 7.916 0.004 1 645 60 60 GLN HA H 4.171 0.004 1 646 60 60 GLN HB2 H 2.197 0.002 1 647 60 60 GLN HB3 H 2.197 0.002 1 648 60 60 GLN HG2 H 2.437 0.001 2 649 60 60 GLN HG3 H 2.485 0.004 2 650 60 60 GLN HE21 H 6.804 . 1 651 60 60 GLN HE22 H 7.396 . 1 652 60 60 GLN C C 177.954 . 1 653 60 60 GLN CA C 59.034 0.029 1 654 60 60 GLN CB C 28.424 0.044 1 655 60 60 GLN CG C 33.910 0.046 1 656 60 60 GLN N N 122.284 0.033 1 657 60 60 GLN NE2 N 111.202 0.0 1 658 61 61 ARG H H 7.837 0.004 1 659 61 61 ARG HA H 4.093 0.003 1 660 61 61 ARG HB2 H 1.872 0.003 2 661 61 61 ARG HB3 H 1.914 0.005 2 662 61 61 ARG HG2 H 1.779 0.002 2 663 61 61 ARG HG3 H 1.779 0.002 2 664 61 61 ARG HD2 H 3.014 0.002 2 665 61 61 ARG HD3 H 3.209 0.003 2 666 61 61 ARG HE H 7.828 . 1 667 61 61 ARG C C 178.062 . 1 668 61 61 ARG CA C 58.999 0.038 1 669 61 61 ARG CB C 30.467 0.052 1 670 61 61 ARG CG C 27.609 0.043 1 671 61 61 ARG CD C 43.546 0.025 1 672 61 61 ARG N N 119.346 0.035 1 673 61 61 ARG NE N 84.890 . 1 674 62 62 ALA H H 7.883 0.005 1 675 62 62 ALA HA H 3.893 0.003 1 676 62 62 ALA HB H 1.513 0.002 1 677 62 62 ALA C C 179.752 . 1 678 62 62 ALA CA C 55.251 0.037 1 679 62 62 ALA CB C 19.127 0.066 1 680 62 62 ALA N N 120.597 0.041 1 681 63 63 MET H H 7.863 0.004 1 682 63 63 MET HA H 4.22 0.004 1 683 63 63 MET HB2 H 2.182 0.001 2 684 63 63 MET HB3 H 2.202 0.001 2 685 63 63 MET HG2 H 2.594 0.005 2 686 63 63 MET HG3 H 2.719 0.002 2 687 63 63 MET HE H 2.092 0.002 1 688 63 63 MET C C 177.976 . 1 689 63 63 MET CA C 58.145 0.047 1 690 63 63 MET CB C 32.898 0.049 1 691 63 63 MET CG C 32.038 0.03 1 692 63 63 MET CE C 16.967 0.04 1 693 63 63 MET N N 116.520 0.034 1 694 64 64 ILE H H 8.265 0.004 1 695 64 64 ILE HA H 4.045 0.002 1 696 64 64 ILE HB H 1.956 0.002 1 697 64 64 ILE HG12 H 1.336 0.004 2 698 64 64 ILE HG13 H 1.613 0.004 2 699 64 64 ILE HG2 H 0.933 0.003 1 700 64 64 ILE HD1 H 0.847 0.002 1 701 64 64 ILE C C 177.823 . 1 702 64 64 ILE CA C 62.954 0.056 1 703 64 64 ILE CB C 38.201 0.032 1 704 64 64 ILE CG1 C 28.178 0.042 1 705 64 64 ILE CG2 C 17.387 0.032 1 706 64 64 ILE CD1 C 12.214 0.027 1 707 64 64 ILE N N 118.075 0.066 1 708 65 65 LEU H H 7.955 0.003 1 709 65 65 LEU HA H 4.502 0.002 1 710 65 65 LEU HB2 H 1.597 0.002 2 711 65 65 LEU HB3 H 1.918 0.006 2 712 65 65 LEU HG H 1.756 0.002 1 713 65 65 LEU HD1 H 0.908 0.002 2 714 65 65 LEU HD2 H 0.936 0.003 2 715 65 65 LEU C C 178.425 . 1 716 65 65 LEU CA C 55.101 0.034 1 717 65 65 LEU CB C 43.093 0.041 1 718 65 65 LEU CG C 26.925 0.047 1 719 65 65 LEU CD1 C 22.655 0.029 2 720 65 65 LEU CD2 C 25.582 0.057 2 721 65 65 LEU N N 117.101 0.024 1 722 66 66 GLY H H 7.592 0.004 1 723 66 66 GLY HA2 H 3.966 0.004 2 724 66 66 GLY HA3 H 4.113 0.003 2 725 66 66 GLY C C 174.485 . 1 726 66 66 GLY CA C 46.239 0.034 1 727 66 66 GLY N N 107.729 0.051 1 728 67 67 LYS H H 7.127 0.004 1 729 67 67 LYS HA H 4.68 0.004 1 730 67 67 LYS HB2 H 1.608 0.002 2 731 67 67 LYS HB3 H 2.02 0.002 2 732 67 67 LYS HG2 H 1.344 0.002 2 733 67 67 LYS HG3 H 1.344 0.002 2 734 67 67 LYS HD2 H 1.606 0.003 2 735 67 67 LYS HD3 H 1.719 0.006 2 736 67 67 LYS HE2 H 2.97 0.003 2 737 67 67 LYS HE3 H 3.027 0.005 2 738 67 67 LYS C C 175.858 . 1 739 67 67 LYS CA C 54.998 0.049 1 740 67 67 LYS CB C 32.985 0.053 1 741 67 67 LYS CG C 24.429 0.045 1 742 67 67 LYS CD C 29.039 0.053 1 743 67 67 LYS CE C 42.307 0.095 1 744 67 67 LYS N N 119.008 0.013 1 745 68 68 SER H H 8.537 0.004 1 746 68 68 SER HA H 4.499 0.004 1 747 68 68 SER HB2 H 3.849 0.008 2 748 68 68 SER HB3 H 4.084 0.003 2 749 68 68 SER C C 176.072 . 1 750 68 68 SER CA C 58.807 0.062 1 751 68 68 SER CB C 64.386 0.044 1 752 68 68 SER N N 116.492 0.03 1 753 69 69 GLY H H 9.064 0.004 1 754 69 69 GLY HA2 H 3.807 0.002 2 755 69 69 GLY HA3 H 3.969 0.001 2 756 69 69 GLY C C 176.267 . 1 757 69 69 GLY CA C 47.816 0.03 1 758 69 69 GLY N N 113.680 0.062 1 759 70 70 GLU H H 9.012 0.004 1 760 70 70 GLU HA H 4.292 0.003 1 761 70 70 GLU HB2 H 1.645 0.0 2 762 70 70 GLU HB3 H 2.173 0.002 2 763 70 70 GLU HG2 H 2.294 0.003 2 764 70 70 GLU HG3 H 2.384 0.003 2 765 70 70 GLU C C 178.249 . 1 766 70 70 GLU CA C 60.910 0.045 1 767 70 70 GLU CB C 28.351 0.061 1 768 70 70 GLU CG C 37.142 0.043 1 769 70 70 GLU N N 120.517 0.04 1 770 71 71 LEU H H 7.657 0.004 1 771 71 71 LEU HA H 4.214 0.005 1 772 71 71 LEU HB2 H 1.491 0.001 2 773 71 71 LEU HB3 H 1.979 0.001 2 774 71 71 LEU HG H 1.659 0.002 1 775 71 71 LEU HD1 H 0.964 0.001 2 776 71 71 LEU HD2 H 1.041 0.002 2 777 71 71 LEU C C 178.928 . 1 778 71 71 LEU CA C 57.914 0.077 1 779 71 71 LEU CB C 41.665 0.031 1 780 71 71 LEU CG C 27.096 0.071 1 781 71 71 LEU CD1 C 26.281 0.038 2 782 71 71 LEU CD2 C 23.243 0.022 2 783 71 71 LEU N N 119.639 0.033 1 784 72 72 LYS H H 7.925 0.003 1 785 72 72 LYS HA H 4.071 0.009 1 786 72 72 LYS HB2 H 2.01 0.003 2 787 72 72 LYS HB3 H 2.01 0.003 2 788 72 72 LYS HG2 H 1.541 0.01 2 789 72 72 LYS HG3 H 1.387 0.003 2 790 72 72 LYS HD2 H 1.704 0.005 1 791 72 72 LYS HD3 H 1.704 0.005 1 792 72 72 LYS HE2 H 2.958 0.001 1 793 72 72 LYS HE3 H 2.958 0.001 1 794 72 72 LYS C C 179.743 . 1 795 72 72 LYS CA C 59.604 0.054 1 796 72 72 LYS CB C 31.645 0.045 1 797 72 72 LYS CG C 25.018 0.047 1 798 72 72 LYS CD C 29.249 0.03 1 799 72 72 LYS CE C 42.095 0.086 1 800 72 72 LYS N N 121.526 0.034 1 801 73 73 THR H H 8.217 0.004 1 802 73 73 THR HA H 3.773 0.004 1 803 73 73 THR HB H 4.27 0.004 1 804 73 73 THR HG2 H 1.178 0.003 1 805 73 73 THR C C 175.515 . 1 806 73 73 THR CA C 66.941 0.048 1 807 73 73 THR CB C 68.201 0.036 1 808 73 73 THR CG2 C 23.346 0.026 1 809 73 73 THR N N 117.567 0.021 1 810 74 74 TRP H H 8.689 0.004 1 811 74 74 TRP HA H 4.62 0.003 1 812 74 74 TRP HB2 H 3.246 0.006 2 813 74 74 TRP HB3 H 3.298 0.002 2 814 74 74 TRP HD1 H 6.846 0.001 1 815 74 74 TRP HE1 H 10.304 . 1 816 74 74 TRP HE3 H 7.52 . 1 817 74 74 TRP HZ2 H 7.392 0.001 1 818 74 74 TRP HZ3 H 6.634 0.001 1 819 74 74 TRP HH2 H 6.844 0.002 1 820 74 74 TRP C C 175.915 . 1 821 74 74 TRP CA C 59.148 0.025 1 822 74 74 TRP CB C 30.994 0.065 1 823 74 74 TRP CD1 C 124.627 . 1 824 74 74 TRP CE3 C 121.962 . 1 825 74 74 TRP CZ2 C 115.239 . 1 826 74 74 TRP CZ3 C 120.169 . 1 827 74 74 TRP CH2 C 123.836 . 1 828 74 74 TRP N N 121.712 0.058 1 829 74 74 TRP NE1 N 128.866 . 1 830 75 75 GLY H H 8.126 0.004 1 831 75 75 GLY HA2 H 3.296 0.003 2 832 75 75 GLY HA3 H 3.812 0.001 2 833 75 75 GLY C C 177.171 . 1 834 75 75 GLY CA C 47.451 0.03 1 835 75 75 GLY N N 103.255 0.035 1 836 76 76 LEU H H 7.156 0.004 1 837 76 76 LEU HA H 4.125 0.004 1 838 76 76 LEU HB2 H 1.513 0.002 2 839 76 76 LEU HB3 H 2.027 0.002 2 840 76 76 LEU HG H 1.796 0.002 1 841 76 76 LEU HD1 H 0.937 0.002 2 842 76 76 LEU HD2 H 1 0.002 2 843 76 76 LEU C C 178.419 . 1 844 76 76 LEU CA C 57.479 0.025 1 845 76 76 LEU CB C 42.100 0.033 1 846 76 76 LEU CG C 27.130 0.109 1 847 76 76 LEU CD1 C 22.891 0.021 2 848 76 76 LEU CD2 C 26.153 0.048 2 849 76 76 LEU N N 121.320 0.029 1 850 77 77 VAL H H 8.172 0.005 1 851 77 77 VAL HA H 3.266 0.002 1 852 77 77 VAL HB H 2.004 . 1 853 77 77 VAL HG1 H 0.733 0.005 2 854 77 77 VAL HG2 H 0.907 0.002 2 855 77 77 VAL C C 176.533 . 1 856 77 77 VAL CA C 66.365 0.039 1 857 77 77 VAL CB C 31.633 0.044 1 858 77 77 VAL CG1 C 21.725 0.062 2 859 77 77 VAL CG2 C 23.784 0.016 2 860 77 77 VAL N N 120.475 0.038 1 861 78 78 LEU H H 8.707 0.004 1 862 78 78 LEU HA H 2.874 0.002 1 863 78 78 LEU HB2 H -0.579 0.005 2 864 78 78 LEU HB3 H 0.742 0.004 2 865 78 78 LEU HG H 0.664 0.003 1 866 78 78 LEU HD1 H -0.119 0.003 2 867 78 78 LEU HD2 H 0.45 0.001 2 868 78 78 LEU C C 178.400 . 1 869 78 78 LEU CA C 57.236 0.042 1 870 78 78 LEU CB C 39.415 0.035 1 871 78 78 LEU CG C 26.017 0.091 1 872 78 78 LEU CD1 C 22.059 0.033 2 873 78 78 LEU CD2 C 24.908 0.047 2 874 78 78 LEU N N 119.955 0.058 1 875 79 79 GLY H H 7.023 0.005 1 876 79 79 GLY HA2 H 3.364 0.001 2 877 79 79 GLY HA3 H 3.671 0.002 2 878 79 79 GLY C C 176.101 . 1 879 79 79 GLY CA C 46.901 0.027 1 880 79 79 GLY N N 102.373 0.032 1 881 80 80 ALA H H 7.377 0.006 1 882 80 80 ALA HA H 3.635 0.008 1 883 80 80 ALA HB H 1.468 0.004 1 884 80 80 ALA C C 179.283 . 1 885 80 80 ALA CA C 54.822 0.029 1 886 80 80 ALA CB C 19.450 0.047 1 887 80 80 ALA N N 124.510 0.025 1 888 81 81 LEU H H 8.43 0.005 1 889 81 81 LEU HA H 3.864 0.002 1 890 81 81 LEU HB2 H 1.269 0.005 2 891 81 81 LEU HB3 H 1.325 0.001 2 892 81 81 LEU HG H 1.683 0.006 1 893 81 81 LEU HD1 H 0.742 0.004 2 894 81 81 LEU HD2 H 0.617 0.005 2 895 81 81 LEU C C 180.510 . 1 896 81 81 LEU CA C 57.601 0.043 1 897 81 81 LEU CB C 41.216 0.037 1 898 81 81 LEU CG C 26.288 0.063 1 899 81 81 LEU CD1 C 21.835 0.039 2 900 81 81 LEU CD2 C 25.868 0.045 2 901 81 81 LEU N N 118.947 0.032 1 902 82 82 LYS H H 8.053 0.006 1 903 82 82 LYS HA H 3.868 0.004 1 904 82 82 LYS HB2 H 1.555 0.003 2 905 82 82 LYS HB3 H 1.696 0.003 2 906 82 82 LYS HG2 H 1.242 0.005 2 907 82 82 LYS HG3 H 1.282 0.004 2 908 82 82 LYS HD2 H 1.499 0.002 2 909 82 82 LYS HD3 H 1.499 0.002 2 910 82 82 LYS HE2 H 2.737 0.009 2 911 82 82 LYS HE3 H 2.944 0.008 2 912 82 82 LYS C C 179.183 . 1 913 82 82 LYS CA C 59.869 0.05 1 914 82 82 LYS CB C 32.650 0.039 1 915 82 82 LYS CG C 26.475 0.047 1 916 82 82 LYS CD C 29.801 0.035 1 917 82 82 LYS CE C 41.954 0.098 1 918 82 82 LYS N N 118.033 0.039 1 919 83 83 ALA H H 7.341 0.004 1 920 83 83 ALA HA H 3.95 0.001 1 921 83 83 ALA HB H 0.954 0.003 1 922 83 83 ALA C C 179.445 . 1 923 83 83 ALA CA C 54.224 0.04 1 924 83 83 ALA CB C 17.954 0.037 1 925 83 83 ALA N N 121.393 0.023 1 926 84 84 ALA H H 7.631 0.004 1 927 84 84 ALA HA H 4.157 0.002 1 928 84 84 ALA HB H 1.491 0.003 1 929 84 84 ALA C C 178.675 . 1 930 84 84 ALA CA C 53.388 0.035 1 931 84 84 ALA CB C 18.627 0.058 1 932 84 84 ALA N N 119.222 0.022 1 933 85 85 ARG H H 7.456 0.003 1 934 85 85 ARG HA H 4.355 0.002 1 935 85 85 ARG HB2 H 1.991 0.002 2 936 85 85 ARG HB3 H 2.077 0.001 2 937 85 85 ARG HG2 H 1.854 0.001 2 938 85 85 ARG HG3 H 1.896 0.002 2 939 85 85 ARG HD2 H 3.362 0.002 2 940 85 85 ARG HD3 H 3.446 0.003 2 941 85 85 ARG HE H 7.543 . 1 942 85 85 ARG C C 176.341 . 1 943 85 85 ARG CA C 56.499 0.022 1 944 85 85 ARG CB C 30.886 0.03 1 945 85 85 ARG CG C 27.303 0.051 1 946 85 85 ARG CD C 43.695 0.02 1 947 85 85 ARG N N 116.952 0.027 1 948 85 85 ARG NE N 84.340 . 1 949 86 86 GLU H H 7.914 0.005 1 950 86 86 GLU HA H 4.316 0.001 1 951 86 86 GLU HB2 H 1.99 . 2 952 86 86 GLU HB3 H 2.15 0.001 2 953 86 86 GLU HG2 H 2.302 0.002 2 954 86 86 GLU HG3 H 2.39 0.001 2 955 86 86 GLU C C 175.581 . 1 956 86 86 GLU CA C 56.545 0.042 1 957 86 86 GLU CB C 30.001 0.031 1 958 86 86 GLU CG C 36.049 0.029 1 959 86 86 GLU N N 120.635 0.037 1 960 87 87 GLU H H 7.806 0.004 1 961 87 87 GLU HA H 4.131 0.004 1 962 87 87 GLU HB2 H 1.936 0.001 2 963 87 87 GLU HB3 H 2.082 0.0 2 964 87 87 GLU HG2 H 2.293 0.0 1 965 87 87 GLU HG3 H 2.293 0.0 1 966 87 87 GLU CA C 58.090 0.047 1 967 87 87 GLU CB C 31.076 0.02 1 968 87 87 GLU CG C 36.375 0.013 1 969 87 87 GLU N N 126.187 0.042 1 stop_ save_