data_26763 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; 1H, 13C, and 15N backbone chemical shift assignments of StAR-related lipid transfer domain protein 6 (STARD6) bound to testosterone ; _BMRB_accession_number 26763 _BMRB_flat_file_name bmr26763.str _Entry_type original _Submission_date 2016-03-21 _Accession_date 2016-03-21 _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 Letourneau Danny . . 2 Bedard Mikael . . 3 Cabana Jerome . . 4 Lefebvre Andree . . 5 Lehoux Jean-Guy . . 6 Lavigne Pierre . . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 201 "13C chemical shifts" 608 "15N chemical shifts" 201 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2016-10-26 update BMRB 'update entry citation' 2016-04-22 original author 'original release' stop_ loop_ _Related_BMRB_accession_number _Relationship 18777 . stop_ _Original_release_date 2016-04-22 save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full . _Citation_title ; STARD6 on steroids: solution structure, multiple timescale backbone dynamics and ligand binding mechanism ; _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 27340016 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Letourneau Danny . . 2 Bedard Mikael . . 3 Cabana Jerome . . 4 Lefebvre Andree . . 5 Lehoux Jean-Guy . . 6 Lavigne Pierre . . stop_ _Journal_abbreviation 'Sci. Rep.' _Journal_volume 6 _Journal_issue . _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 28486 _Page_last 28486 _Year 2016 _Details . loop_ _Keyword 'Lipid transport' NMR STARD6 'steroidogenic acute regulatory protein (StAR)' stop_ save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name 'STARD6-testosterone complex' _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label STARD6 $STARD6 testosterone $entity_TES stop_ _System_molecular_weight . _System_physical_state native _System_oligomer_state ? _System_paramagnetic no _System_thiol_state . _Database_query_date . _Details . save_ ######################## # Monomeric polymers # ######################## save_STARD6 _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common STARD6 _Molecular_mass . _Mol_thiol_state 'all free' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 226 _Mol_residue_sequence ; MDFKAIAQQTAQEVLGYNRD TSGWKVVKTSKKITVSSKAS RKFHGNLYRVEGIIPESPAK LSDFLYQTGDRITWDKSLQV YNMVHRIDSDTFICHTITQS FAVGSISPRDFIDLVYIKRY EGNMNIISSKSVDFPEYPPS SNYIRGYNHPCGFVCSPMEE NPAYSKLVMFVQTEMRGKLS PSIIEKTMPSNLVNFILNAK DGIKAHRTPSRRGFHHNSHS HHHHHH ; loop_ _Residue_seq_code _Residue_author_seq_code _Residue_label 1 1 MET 2 2 ASP 3 3 PHE 4 4 LYS 5 5 ALA 6 6 ILE 7 7 ALA 8 8 GLN 9 9 GLN 10 10 THR 11 11 ALA 12 12 GLN 13 13 GLU 14 14 VAL 15 15 LEU 16 16 GLY 17 17 TYR 18 18 ASN 19 19 ARG 20 20 ASP 21 21 THR 22 22 SER 23 23 GLY 24 24 TRP 25 25 LYS 26 26 VAL 27 27 VAL 28 28 LYS 29 29 THR 30 30 SER 31 31 LYS 32 32 LYS 33 33 ILE 34 34 THR 35 35 VAL 36 36 SER 37 37 SER 38 38 LYS 39 39 ALA 40 40 SER 41 41 ARG 42 42 LYS 43 43 PHE 44 44 HIS 45 45 GLY 46 46 ASN 47 47 LEU 48 48 TYR 49 49 ARG 50 50 VAL 51 51 GLU 52 52 GLY 53 53 ILE 54 54 ILE 55 55 PRO 56 56 GLU 57 57 SER 58 58 PRO 59 59 ALA 60 60 LYS 61 61 LEU 62 62 SER 63 63 ASP 64 64 PHE 65 65 LEU 66 66 TYR 67 67 GLN 68 68 THR 69 69 GLY 70 70 ASP 71 71 ARG 72 72 ILE 73 73 THR 74 74 TRP 75 75 ASP 76 76 LYS 77 77 SER 78 78 LEU 79 79 GLN 80 80 VAL 81 81 TYR 82 82 ASN 83 83 MET 84 84 VAL 85 85 HIS 86 86 ARG 87 87 ILE 88 88 ASP 89 89 SER 90 90 ASP 91 91 THR 92 92 PHE 93 93 ILE 94 94 CYS 95 95 HIS 96 96 THR 97 97 ILE 98 98 THR 99 99 GLN 100 100 SER 101 101 PHE 102 102 ALA 103 103 VAL 104 104 GLY 105 105 SER 106 106 ILE 107 107 SER 108 108 PRO 109 109 ARG 110 110 ASP 111 111 PHE 112 112 ILE 113 113 ASP 114 114 LEU 115 115 VAL 116 116 TYR 117 117 ILE 118 118 LYS 119 119 ARG 120 120 TYR 121 121 GLU 122 122 GLY 123 123 ASN 124 124 MET 125 125 ASN 126 126 ILE 127 127 ILE 128 128 SER 129 129 SER 130 130 LYS 131 131 SER 132 132 VAL 133 133 ASP 134 134 PHE 135 135 PRO 136 136 GLU 137 137 TYR 138 138 PRO 139 139 PRO 140 140 SER 141 141 SER 142 142 ASN 143 143 TYR 144 144 ILE 145 145 ARG 146 146 GLY 147 147 TYR 148 148 ASN 149 149 HIS 150 150 PRO 151 151 CYS 152 152 GLY 153 153 PHE 154 154 VAL 155 155 CYS 156 156 SER 157 157 PRO 158 158 MET 159 159 GLU 160 160 GLU 161 161 ASN 162 162 PRO 163 163 ALA 164 164 TYR 165 165 SER 166 166 LYS 167 167 LEU 168 168 VAL 169 169 MET 170 170 PHE 171 171 VAL 172 172 GLN 173 173 THR 174 174 GLU 175 175 MET 176 176 ARG 177 177 GLY 178 178 LYS 179 179 LEU 180 180 SER 181 181 PRO 182 182 SER 183 183 ILE 184 184 ILE 185 185 GLU 186 186 LYS 187 187 THR 188 188 MET 189 189 PRO 190 190 SER 191 191 ASN 192 192 LEU 193 193 VAL 194 194 ASN 195 195 PHE 196 196 ILE 197 197 LEU 198 198 ASN 199 199 ALA 200 200 LYS 201 201 ASP 202 202 GLY 203 203 ILE 204 204 LYS 205 205 ALA 206 206 HIS 207 207 ARG 208 208 THR 209 209 PRO 210 210 SER 211 211 ARG 212 212 ARG 213 213 GLY 214 214 PHE 215 215 HIS 216 216 HIS 217 217 ASN 218 218 SER 219 219 HIS 220 220 SER 221 221 HIS 222 222 HIS 223 223 HIS 224 224 HIS 225 225 HIS 226 226 HIS stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date . loop_ _Database_name _Database_accession_code _Database_entry_mol_name _Sequence_query_to_submitted_percentage _Sequence_subject_length _Sequence_identity _Sequence_positive _Sequence_homology_expectation_value PDB 2mou STARD6 . . . . . stop_ save_ ############# # Ligands # ############# save_TES _Saveframe_category ligand _Mol_type NON-POLYMER _Name_common TESTOSTERONE _BMRB_code TES _PDB_code TES _Molecular_mass 288.424 _Mol_charge 0 _Mol_paramagnetic . _Mol_aromatic no _Details . loop_ _Atom_name _PDB_atom_name _Atom_type _Atom_chirality _Atom_charge _Atom_oxidation_number _Atom_unpaired_electrons C1 C1 C . 0 . ? C2 C2 C . 0 . ? C3 C3 C . 0 . ? O3 O3 O . 0 . ? C4 C4 C . 0 . ? C5 C5 C . 0 . ? C6 C6 C . 0 . ? C7 C7 C . 0 . ? C8 C8 C . 0 . ? C9 C9 C . 0 . ? C10 C10 C . 0 . ? C11 C11 C . 0 . ? C12 C12 C . 0 . ? C13 C13 C . 0 . ? C14 C14 C . 0 . ? C15 C15 C . 0 . ? C16 C16 C . 0 . ? C17 C17 C . 0 . ? O17 O17 O . 0 . ? C18 C18 C . 0 . ? C19 C19 C . 0 . ? H11 H11 H . 0 . ? H12 H12 H . 0 . ? H21 H21 H . 0 . ? H22 H22 H . 0 . ? H4 H4 H . 0 . ? H61 H61 H . 0 . ? H62 H62 H . 0 . ? H71 H71 H . 0 . ? H72 H72 H . 0 . ? H8 H8 H . 0 . ? H9 H9 H . 0 . ? H111 H111 H . 0 . ? H112 H112 H . 0 . ? H121 H121 H . 0 . ? H122 H122 H . 0 . ? H14 H14 H . 0 . ? H151 H151 H . 0 . ? H152 H152 H . 0 . ? H161 H161 H . 0 . ? H162 H162 H . 0 . ? H17 H17 H . 0 . ? HO7 HO7 H . 0 . ? H181 H181 H . 0 . ? H182 H182 H . 0 . ? H183 H183 H . 0 . ? H191 H191 H . 0 . ? H192 H192 H . 0 . ? H193 H193 H . 0 . ? stop_ loop_ _Bond_order _Bond_atom_one_atom_name _Bond_atom_two_atom_name _PDB_bond_atom_one_atom_name _PDB_bond_atom_two_atom_name SING C1 C2 ? ? SING C1 C10 ? ? SING C1 H11 ? ? SING C1 H12 ? ? SING C2 C3 ? ? SING C2 H21 ? ? SING C2 H22 ? ? DOUB C3 O3 ? ? SING C3 C4 ? ? DOUB C4 C5 ? ? SING C4 H4 ? ? SING C5 C6 ? ? SING C5 C10 ? ? SING C6 C7 ? ? SING C6 H61 ? ? SING C6 H62 ? ? SING C7 C8 ? ? SING C7 H71 ? ? SING C7 H72 ? ? SING C8 C9 ? ? SING C8 C14 ? ? SING C8 H8 ? ? SING C9 C10 ? ? SING C9 C11 ? ? SING C9 H9 ? ? SING C10 C19 ? ? SING C11 C12 ? ? SING C11 H111 ? ? SING C11 H112 ? ? SING C12 C13 ? ? SING C12 H121 ? ? SING C12 H122 ? ? SING C13 C14 ? ? SING C13 C17 ? ? SING C13 C18 ? ? SING C14 C15 ? ? SING C14 H14 ? ? SING C15 C16 ? ? SING C15 H151 ? ? SING C15 H152 ? ? SING C16 C17 ? ? SING C16 H161 ? ? SING C16 H162 ? ? SING C17 O17 ? ? SING C17 H17 ? ? SING O17 HO7 ? ? SING C18 H181 ? ? SING C18 H182 ? ? SING C18 H183 ? ? SING C19 H191 ? ? SING C19 H192 ? ? SING C19 H193 ? ? stop_ save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species $STARD6 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 $STARD6 'recombinant technology' . Escherichia coli BL21(DE3) pET21b 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 _Concentration_min_value _Concentration_max_value _Isotopic_labeling $STARD6 . mM 0.8 1.1 '[U-100% 15N]' Testosterone 1.2 mM . . 'natural abundance' 'potassium phosphate' 50 mM . . 'natural abundance' 'potassium chloride' 50 mM . . 'natural abundance' TCEP 1 mM . . 'natural abundance' 'sodium azide' 0.02 % . . 'natural abundance' D2O 10 % . . 'natural abundance' ethanol 2 % . . 'natural abundance' stop_ save_ ############################ # Computer software used # ############################ save_NMRPipe _Saveframe_category software _Name NMRPipe _Version . loop_ _Vendor _Address _Electronic_address 'Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax' . . stop_ loop_ _Task processing stop_ _Details . save_ save_NMR-STAR _Saveframe_category software _Name NMR-STAR _Version . loop_ _Vendor _Address _Electronic_address CCPN . . stop_ loop_ _Task 'chemical shift assignment' stop_ _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Varian _Model INOVA _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_3D_CBCA(CO)NH_2 _Saveframe_category NMR_applied_experiment _Experiment_name '3D CBCA(CO)NH' _Sample_label $sample_1 save_ save_3D_HNCO_3 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCO' _Sample_label $sample_1 save_ save_3D_HNCACB_4 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCACB' _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' 100 . mM pH 7.4 . pH pressure 1 . atm temperature 273 . 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 na indirect . . . 0.251449530 water H 1 protons ppm 4.66 internal direct . . . 1 DSS N 15 'methyl protons' ppm 0 na indirect . . . 0.101329118 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_assigned_chem_shift_list_1 _Saveframe_category assigned_chemical_shifts _Details . loop_ _Experiment_label '2D 1H-15N HSQC' '3D CBCA(CO)NH' '3D HNCO' '3D HNCACB' 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 STARD6 _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 MET H H 8.186 0.03 1 2 1 1 MET C C 174.585 0.3 1 3 1 1 MET CA C 54.766 0.3 1 4 1 1 MET CB C 32.888 0.3 1 5 1 1 MET N N 122.023 0.3 1 6 2 2 ASP H H 8.185 0.03 1 7 2 2 ASP C C 176.196 0.3 1 8 2 2 ASP CA C 52.191 0.3 1 9 2 2 ASP CB C 39.741 0.3 1 10 2 2 ASP N N 122.398 0.3 1 11 3 3 PHE H H 7.880 0.03 1 12 3 3 PHE C C 177.588 0.3 1 13 3 3 PHE CA C 60.363 0.3 1 14 3 3 PHE CB C 39.156 0.3 1 15 3 3 PHE N N 120.832 0.3 1 16 4 4 LYS H H 8.189 0.03 1 17 4 4 LYS C C 178.526 0.3 1 18 4 4 LYS CA C 59.437 0.3 1 19 4 4 LYS CB C 30.957 0.3 1 20 4 4 LYS N N 118.076 0.3 1 21 5 5 ALA H H 7.440 0.03 1 22 5 5 ALA C C 180.726 0.3 1 23 5 5 ALA CA C 55.046 0.3 1 24 5 5 ALA CB C 17.914 0.3 1 25 5 5 ALA N N 121.974 0.3 1 26 6 6 ILE H H 7.704 0.03 1 27 6 6 ILE C C 179.304 0.3 1 28 6 6 ILE CA C 64.334 0.3 1 29 6 6 ILE CB C 38.225 0.3 1 30 6 6 ILE N N 119.124 0.3 1 31 7 7 ALA H H 8.403 0.03 1 32 7 7 ALA C C 178.844 0.3 1 33 7 7 ALA CA C 55.346 0.3 1 34 7 7 ALA CB C 16.271 0.3 1 35 7 7 ALA N N 125.539 0.3 1 36 8 8 GLN H H 7.587 0.03 1 37 8 8 GLN C C 178.992 0.3 1 38 8 8 GLN CA C 59.102 0.3 1 39 8 8 GLN CB C 27.872 0.3 1 40 8 8 GLN N N 115.769 0.3 1 41 9 9 GLN H H 7.989 0.03 1 42 9 9 GLN C C 178.848 0.3 1 43 9 9 GLN CA C 58.396 0.3 1 44 9 9 GLN CB C 28.632 0.3 1 45 9 9 GLN N N 119.713 0.3 1 46 10 10 THR H H 8.314 0.03 1 47 10 10 THR C C 174.477 0.3 1 48 10 10 THR CA C 66.612 0.3 1 49 10 10 THR CB C 67.472 0.3 1 50 10 10 THR N N 118.322 0.3 1 51 11 11 ALA H H 8.155 0.03 1 52 11 11 ALA C C 179.782 0.3 1 53 11 11 ALA CA C 56.075 0.3 1 54 11 11 ALA CB C 19.128 0.3 1 55 11 11 ALA N N 124.278 0.3 1 56 12 12 GLN H H 7.524 0.03 1 57 12 12 GLN C C 178.685 0.3 1 58 12 12 GLN CA C 58.513 0.3 1 59 12 12 GLN CB C 28.506 0.3 1 60 12 12 GLN N N 116.201 0.3 1 61 13 13 GLU H H 7.750 0.03 1 62 13 13 GLU C C 178.082 0.3 1 63 13 13 GLU CA C 59.129 0.3 1 64 13 13 GLU CB C 28.468 0.3 1 65 13 13 GLU N N 121.751 0.3 1 66 14 14 VAL H H 7.773 0.03 1 67 14 14 VAL C C 177.151 0.3 1 68 14 14 VAL CA C 65.980 0.3 1 69 14 14 VAL CB C 31.008 0.3 1 70 14 14 VAL N N 119.441 0.3 1 71 15 15 LEU H H 7.917 0.03 1 72 15 15 LEU C C 179.082 0.3 1 73 15 15 LEU CA C 57.922 0.3 1 74 15 15 LEU CB C 40.843 0.3 1 75 15 15 LEU N N 121.143 0.3 1 76 16 16 GLY H H 7.507 0.03 1 77 16 16 GLY C C 177.453 0.3 1 78 16 16 GLY CA C 46.614 0.3 1 79 16 16 GLY N N 105.071 0.3 1 80 17 17 TYR H H 7.595 0.03 1 81 17 17 TYR C C 178.796 0.3 1 82 17 17 TYR CA C 57.193 0.3 1 83 17 17 TYR CB C 34.476 0.3 1 84 17 17 TYR N N 122.727 0.3 1 85 18 18 ASN H H 7.768 0.03 1 86 18 18 ASN C C 175.910 0.3 1 87 18 18 ASN CA C 56.019 0.3 1 88 18 18 ASN CB C 40.247 0.3 1 89 18 18 ASN N N 115.801 0.3 1 90 19 19 ARG H H 7.513 0.03 1 91 19 19 ARG C C 175.241 0.3 1 92 19 19 ARG CA C 55.987 0.3 1 93 19 19 ARG CB C 30.974 0.3 1 94 19 19 ARG N N 115.169 0.3 1 95 20 20 ASP H H 7.384 0.03 1 96 20 20 ASP C C 176.813 0.3 1 97 20 20 ASP CA C 53.470 0.3 1 98 20 20 ASP CB C 39.871 0.3 1 99 20 20 ASP N N 120.193 0.3 1 100 21 21 THR H H 8.248 0.03 1 101 21 21 THR C C 175.072 0.3 1 102 21 21 THR CA C 61.593 0.3 1 103 21 21 THR CB C 68.510 0.3 1 104 21 21 THR N N 116.270 0.3 1 105 22 22 SER H H 8.196 0.03 1 106 22 22 SER C C 173.957 0.3 1 107 22 22 SER CA C 57.890 0.3 1 108 22 22 SER CB C 65.351 0.3 1 109 22 22 SER N N 119.095 0.3 1 110 23 23 GLY H H 8.651 0.03 1 111 23 23 GLY C C 174.157 0.3 1 112 23 23 GLY CA C 47.203 0.3 1 113 23 23 GLY N N 109.345 0.3 1 114 24 24 TRP H H 7.835 0.03 1 115 24 24 TRP HE1 H 10.161 0.03 1 116 24 24 TRP C C 176.031 0.3 1 117 24 24 TRP CA C 56.646 0.3 1 118 24 24 TRP CB C 30.342 0.3 1 119 24 24 TRP N N 120.493 0.3 1 120 24 24 TRP NE1 N 129.325 0.3 1 121 25 25 LYS H H 9.004 0.03 1 122 25 25 LYS C C 176.104 0.3 1 123 25 25 LYS CA C 54.444 0.3 1 124 25 25 LYS CB C 33.849 0.3 1 125 25 25 LYS N N 124.359 0.3 1 126 26 26 VAL H H 8.853 0.03 1 127 26 26 VAL C C 176.501 0.3 1 128 26 26 VAL CA C 64.757 0.3 1 129 26 26 VAL CB C 31.577 0.3 1 130 26 26 VAL N N 126.890 0.3 1 131 27 27 VAL H H 9.259 0.03 1 132 27 27 VAL C C 175.964 0.3 1 133 27 27 VAL CA C 61.640 0.3 1 134 27 27 VAL CB C 33.382 0.3 1 135 27 27 VAL N N 124.330 0.3 1 136 28 28 LYS H H 7.802 0.03 1 137 28 28 LYS C C 173.218 0.3 1 138 28 28 LYS CA C 56.648 0.3 1 139 28 28 LYS CB C 36.588 0.3 1 140 28 28 LYS N N 120.344 0.3 1 141 29 29 THR H H 8.561 0.03 1 142 29 29 THR C C 174.004 0.3 1 143 29 29 THR CA C 60.366 0.3 1 144 29 29 THR CB C 70.333 0.3 1 145 29 29 THR N N 120.704 0.3 1 146 30 30 SER H H 8.722 0.03 1 147 30 30 SER C C 173.559 0.3 1 148 30 30 SER CA C 57.271 0.3 1 149 30 30 SER CB C 64.789 0.3 1 150 30 30 SER N N 120.328 0.3 1 151 31 31 LYS H H 9.252 0.03 1 152 31 31 LYS CA C 57.077 0.3 1 153 31 31 LYS CB C 29.046 0.3 1 154 31 31 LYS N N 124.359 0.3 1 155 32 32 LYS C C 175.691 0.3 1 156 32 32 LYS CB C 29.083 0.3 1 157 33 33 ILE H H 8.195 0.03 1 158 33 33 ILE C C 175.544 0.3 1 159 33 33 ILE CA C 60.044 0.3 1 160 33 33 ILE CB C 38.539 0.3 1 161 33 33 ILE N N 124.330 0.3 1 162 34 34 THR H H 8.124 0.03 1 163 34 34 THR C C 173.721 0.3 1 164 34 34 THR CA C 61.648 0.3 1 165 34 34 THR CB C 70.955 0.3 1 166 34 34 THR N N 120.471 0.3 1 167 35 35 VAL H H 9.420 0.03 1 168 35 35 VAL C C 174.910 0.3 1 169 35 35 VAL CA C 61.596 0.3 1 170 35 35 VAL CB C 33.516 0.3 1 171 35 35 VAL N N 127.220 0.3 1 172 36 36 SER H H 9.846 0.03 1 173 36 36 SER C C 172.643 0.3 1 174 36 36 SER CA C 57.244 0.3 1 175 36 36 SER CB C 66.003 0.3 1 176 36 36 SER N N 123.748 0.3 1 177 37 37 SER H H 9.673 0.03 1 178 37 37 SER C C 173.211 0.3 1 179 37 37 SER CA C 57.166 0.3 1 180 37 37 SER CB C 68.413 0.3 1 181 37 37 SER N N 115.944 0.3 1 182 38 38 LYS H H 8.434 0.03 1 183 38 38 LYS C C 173.837 0.3 1 184 38 38 LYS CA C 55.338 0.3 1 185 38 38 LYS CB C 35.384 0.3 1 186 38 38 LYS N N 118.195 0.3 1 187 39 39 ALA H H 8.224 0.03 1 188 39 39 ALA C C 178.116 0.3 1 189 39 39 ALA CA C 52.875 0.3 1 190 39 39 ALA CB C 17.890 0.3 1 191 39 39 ALA N N 122.874 0.3 1 192 40 40 SER H H 8.482 0.03 1 193 40 40 SER C C 175.763 0.3 1 194 40 40 SER CA C 57.745 0.3 1 195 40 40 SER CB C 63.238 0.3 1 196 40 40 SER N N 115.299 0.3 1 197 41 41 ARG H H 8.894 0.03 1 198 41 41 ARG C C 176.811 0.3 1 199 41 41 ARG CA C 55.911 0.3 1 200 41 41 ARG CB C 29.498 0.3 1 201 41 41 ARG N N 124.294 0.3 1 202 42 42 LYS H H 8.693 0.03 1 203 42 42 LYS C C 174.679 0.3 1 204 42 42 LYS CA C 55.318 0.3 1 205 42 42 LYS CB C 32.781 0.3 1 206 42 42 LYS N N 117.623 0.3 1 207 43 43 PHE H H 7.291 0.03 1 208 43 43 PHE C C 172.258 0.3 1 209 43 43 PHE CA C 54.739 0.3 1 210 43 43 PHE CB C 39.122 0.3 1 211 43 43 PHE N N 115.499 0.3 1 212 44 44 HIS H H 8.421 0.03 1 213 44 44 HIS C C 172.976 0.3 1 214 44 44 HIS CA C 54.150 0.3 1 215 44 44 HIS CB C 25.368 0.3 1 216 44 44 HIS N N 118.396 0.3 1 217 45 45 GLY H H 6.783 0.03 1 218 45 45 GLY C C 170.913 0.3 1 219 45 45 GLY CA C 44.766 0.3 1 220 45 45 GLY N N 113.608 0.3 1 221 46 46 ASN H H 8.572 0.03 1 222 46 46 ASN C C 172.903 0.3 1 223 46 46 ASN CA C 52.908 0.3 1 224 46 46 ASN CB C 40.977 0.3 1 225 46 46 ASN N N 117.962 0.3 1 226 47 47 LEU H H 8.698 0.03 1 227 47 47 LEU C C 174.672 0.3 1 228 47 47 LEU CA C 53.546 0.3 1 229 47 47 LEU CB C 43.441 0.3 1 230 47 47 LEU N N 122.621 0.3 1 231 48 48 TYR H H 9.285 0.03 1 232 48 48 TYR C C 174.325 0.3 1 233 48 48 TYR CA C 57.271 0.3 1 234 48 48 TYR CB C 41.823 0.3 1 235 48 48 TYR N N 123.392 0.3 1 236 49 49 ARG H H 8.927 0.03 1 237 49 49 ARG C C 174.589 0.3 1 238 49 49 ARG CA C 53.403 0.3 1 239 49 49 ARG CB C 33.156 0.3 1 240 49 49 ARG N N 122.044 0.3 1 241 50 50 VAL H H 9.385 0.03 1 242 50 50 VAL C C 173.518 0.3 1 243 50 50 VAL CA C 59.529 0.3 1 244 50 50 VAL CB C 34.255 0.3 1 245 50 50 VAL N N 129.676 0.3 1 246 51 51 GLU H H 8.508 0.03 1 247 51 51 GLU C C 174.936 0.3 1 248 51 51 GLU CA C 54.033 0.3 1 249 51 51 GLU CB C 34.477 0.3 1 250 51 51 GLU N N 125.551 0.3 1 251 52 52 GLY H H 8.605 0.03 1 252 52 52 GLY C C 170.030 0.3 1 253 52 52 GLY CA C 45.141 0.3 1 254 52 52 GLY N N 108.693 0.3 1 255 53 53 ILE H H 8.308 0.03 1 256 53 53 ILE C C 176.177 0.3 1 257 53 53 ILE CA C 59.103 0.3 1 258 53 53 ILE CB C 38.798 0.3 1 259 53 53 ILE N N 119.622 0.3 1 260 54 54 ILE H H 9.018 0.03 1 261 54 54 ILE CA C 59.118 0.3 1 262 54 54 ILE CB C 39.766 0.3 1 263 54 54 ILE N N 126.688 0.3 1 264 55 55 PRO C C 173.534 0.3 1 265 55 55 PRO CA C 62.004 0.3 1 266 55 55 PRO CB C 26.713 0.3 1 267 56 56 GLU H H 8.625 0.03 1 268 56 56 GLU C C 174.140 0.3 1 269 56 56 GLU CA C 54.128 0.3 1 270 56 56 GLU CB C 34.117 0.3 1 271 56 56 GLU N N 122.894 0.3 1 272 57 57 SER H H 9.254 0.03 1 273 57 57 SER CA C 57.207 0.3 1 274 57 57 SER CB C 62.932 0.3 1 275 57 57 SER N N 120.123 0.3 1 276 58 58 PRO C C 179.607 0.3 1 277 58 58 PRO CA C 61.740 0.3 1 278 58 58 PRO CB C 30.394 0.3 1 279 59 59 ALA H H 8.103 0.03 1 280 59 59 ALA C C 179.431 0.3 1 281 59 59 ALA CA C 55.954 0.3 1 282 59 59 ALA CB C 18.811 0.3 1 283 59 59 ALA N N 121.194 0.3 1 284 60 60 LYS H H 7.218 0.03 1 285 60 60 LYS C C 179.102 0.3 1 286 60 60 LYS CA C 59.082 0.3 1 287 60 60 LYS CB C 32.220 0.3 1 288 60 60 LYS N N 119.334 0.3 1 289 61 61 LEU H H 8.678 0.03 1 290 61 61 LEU C C 177.354 0.3 1 291 61 61 LEU CA C 57.813 0.3 1 292 61 61 LEU CB C 41.562 0.3 1 293 61 61 LEU N N 120.356 0.3 1 294 62 62 SER H H 8.100 0.03 1 295 62 62 SER C C 174.979 0.3 1 296 62 62 SER CA C 61.801 0.3 1 297 62 62 SER CB C 63.381 0.3 1 298 62 62 SER N N 112.783 0.3 1 299 63 63 ASP H H 7.246 0.03 1 300 63 63 ASP C C 177.595 0.3 1 301 63 63 ASP CA C 57.975 0.3 1 302 63 63 ASP CB C 41.612 0.3 1 303 63 63 ASP N N 121.170 0.3 1 304 64 64 PHE H H 7.805 0.03 1 305 64 64 PHE C C 176.674 0.3 1 306 64 64 PHE CA C 60.663 0.3 1 307 64 64 PHE CB C 39.662 0.3 1 308 64 64 PHE N N 119.343 0.3 1 309 65 65 LEU H H 7.696 0.03 1 310 65 65 LEU C C 175.877 0.3 1 311 65 65 LEU CA C 56.013 0.3 1 312 65 65 LEU CB C 41.006 0.3 1 313 65 65 LEU N N 116.043 0.3 1 314 66 66 TYR H H 8.099 0.03 1 315 66 66 TYR C C 176.162 0.3 1 316 66 66 TYR CA C 58.607 0.3 1 317 66 66 TYR CB C 40.905 0.3 1 318 66 66 TYR N N 120.350 0.3 1 319 67 67 GLN H H 7.576 0.03 1 320 67 67 GLN C C 177.262 0.3 1 321 67 67 GLN CA C 56.030 0.3 1 322 67 67 GLN CB C 28.469 0.3 1 323 67 67 GLN N N 115.777 0.3 1 324 68 68 THR H H 8.018 0.03 1 325 68 68 THR C C 177.756 0.3 1 326 68 68 THR CA C 62.831 0.3 1 327 68 68 THR CB C 65.990 0.3 1 328 68 68 THR N N 110.538 0.3 1 329 69 69 GLY H H 8.247 0.03 1 330 69 69 GLY C C 174.471 0.3 1 331 69 69 GLY CA C 47.188 0.3 1 332 69 69 GLY N N 110.008 0.3 1 333 70 70 ASP H H 8.560 0.03 1 334 70 70 ASP C C 176.907 0.3 1 335 70 70 ASP CA C 53.529 0.3 1 336 70 70 ASP CB C 41.362 0.3 1 337 70 70 ASP N N 118.172 0.3 1 338 71 71 ARG H H 7.194 0.03 1 339 71 71 ARG C C 176.354 0.3 1 340 71 71 ARG CA C 57.820 0.3 1 341 71 71 ARG CB C 30.152 0.3 1 342 71 71 ARG N N 122.729 0.3 1 343 72 72 ILE H H 7.563 0.03 1 344 72 72 ILE C C 176.504 0.3 1 345 72 72 ILE CA C 62.844 0.3 1 346 72 72 ILE CB C 38.453 0.3 1 347 72 72 ILE N N 109.044 0.3 1 348 73 73 THR H H 7.431 0.03 1 349 73 73 THR C C 174.680 0.3 1 350 73 73 THR CA C 64.720 0.3 1 351 73 73 THR CB C 62.883 0.3 1 352 73 73 THR N N 113.614 0.3 1 353 74 74 TRP H H 6.482 0.03 1 354 74 74 TRP HE1 H 9.667 0.03 1 355 74 74 TRP C C 175.384 0.3 1 356 74 74 TRP CA C 54.738 0.3 1 357 74 74 TRP CB C 31.001 0.3 1 358 74 74 TRP N N 114.419 0.3 1 359 74 74 TRP NE1 N 132.912 0.3 1 360 75 75 ASP H H 7.215 0.03 1 361 75 75 ASP C C 175.412 0.3 1 362 75 75 ASP CA C 56.616 0.3 1 363 75 75 ASP CB C 38.172 0.3 1 364 75 75 ASP N N 123.176 0.3 1 365 76 76 LYS H H 6.768 0.03 1 366 76 76 LYS C C 175.368 0.3 1 367 76 76 LYS CA C 55.429 0.3 1 368 76 76 LYS CB C 31.468 0.3 1 369 76 76 LYS N N 120.921 0.3 1 370 77 77 SER H H 8.072 0.03 1 371 77 77 SER C C 173.839 0.3 1 372 77 77 SER CA C 57.961 0.3 1 373 77 77 SER CB C 61.574 0.3 1 374 77 77 SER N N 113.838 0.3 1 375 78 78 LEU H H 7.056 0.03 1 376 78 78 LEU C C 175.729 0.3 1 377 78 78 LEU CA C 53.523 0.3 1 378 78 78 LEU CB C 43.474 0.3 1 379 78 78 LEU N N 119.224 0.3 1 380 79 79 GLN H H 8.867 0.03 1 381 79 79 GLN C C 175.240 0.3 1 382 79 79 GLN CA C 57.173 0.3 1 383 79 79 GLN CB C 29.528 0.3 1 384 79 79 GLN N N 115.293 0.3 1 385 80 80 VAL H H 7.487 0.03 1 386 80 80 VAL C C 173.075 0.3 1 387 80 80 VAL CA C 62.261 0.3 1 388 80 80 VAL CB C 34.779 0.3 1 389 80 80 VAL N N 118.165 0.3 1 390 81 81 TYR H H 8.581 0.03 1 391 81 81 TYR C C 172.212 0.3 1 392 81 81 TYR CA C 58.283 0.3 1 393 81 81 TYR CB C 38.513 0.3 1 394 81 81 TYR N N 129.368 0.3 1 395 82 82 ASN H H 8.429 0.03 1 396 82 82 ASN C C 173.834 0.3 1 397 82 82 ASN CA C 51.017 0.3 1 398 82 82 ASN CB C 41.535 0.3 1 399 82 82 ASN N N 121.647 0.3 1 400 83 83 MET H H 8.541 0.03 1 401 83 83 MET C C 175.241 0.3 1 402 83 83 MET CA C 56.289 0.3 1 403 83 83 MET CB C 34.487 0.3 1 404 83 83 MET N N 124.658 0.3 1 405 84 84 VAL H H 8.553 0.03 1 406 84 84 VAL C C 175.669 0.3 1 407 84 84 VAL CA C 60.376 0.3 1 408 84 84 VAL CB C 36.011 0.3 1 409 84 84 VAL N N 120.715 0.3 1 410 85 85 HIS H H 7.156 0.03 1 411 85 85 HIS C C 172.426 0.3 1 412 85 85 HIS CA C 57.247 0.3 1 413 85 85 HIS CB C 32.876 0.3 1 414 85 85 HIS N N 118.857 0.3 1 415 86 86 ARG H H 8.638 0.03 1 416 86 86 ARG C C 174.152 0.3 1 417 86 86 ARG CA C 55.982 0.3 1 418 86 86 ARG CB C 28.568 0.3 1 419 86 86 ARG N N 130.947 0.3 1 420 87 87 ILE H H 8.048 0.03 1 421 87 87 ILE C C 175.604 0.3 1 422 87 87 ILE CA C 61.695 0.3 1 423 87 87 ILE CB C 37.910 0.3 1 424 87 87 ILE N N 128.277 0.3 1 425 88 88 ASP H H 8.600 0.03 1 426 88 88 ASP CA C 53.518 0.3 1 427 88 88 ASP CB C 40.361 0.3 1 428 88 88 ASP N N 116.767 0.3 1 429 89 89 SER C C 174.990 0.3 1 430 89 89 SER CA C 61.584 0.3 1 431 89 89 SER CB C 63.250 0.3 1 432 90 90 ASP H H 8.388 0.03 1 433 90 90 ASP C C 174.605 0.3 1 434 90 90 ASP CA C 54.779 0.3 1 435 90 90 ASP CB C 43.360 0.3 1 436 90 90 ASP N N 121.380 0.3 1 437 91 91 THR H H 7.195 0.03 1 438 91 91 THR C C 174.410 0.3 1 439 91 91 THR CA C 61.643 0.3 1 440 91 91 THR CB C 69.053 0.3 1 441 91 91 THR N N 114.170 0.3 1 442 92 92 PHE H H 9.476 0.03 1 443 92 92 PHE C C 170.559 0.3 1 444 92 92 PHE CA C 56.216 0.3 1 445 92 92 PHE CB C 41.544 0.3 1 446 92 92 PHE N N 124.273 0.3 1 447 93 93 ILE H H 8.878 0.03 1 448 93 93 ILE C C 174.663 0.3 1 449 93 93 ILE CA C 58.841 0.3 1 450 93 93 ILE CB C 36.602 0.3 1 451 93 93 ILE N N 118.483 0.3 1 452 94 94 CYS H H 9.685 0.03 1 453 94 94 CYS C C 172.294 0.3 1 454 94 94 CYS CA C 55.321 0.3 1 455 94 94 CYS CB C 31.061 0.3 1 456 94 94 CYS N N 130.473 0.3 1 457 95 95 HIS H H 9.026 0.03 1 458 95 95 HIS C C 173.227 0.3 1 459 95 95 HIS CA C 54.398 0.3 1 460 95 95 HIS CB C 33.985 0.3 1 461 95 95 HIS N N 126.335 0.3 1 462 96 96 THR H H 8.478 0.03 1 463 96 96 THR C C 174.570 0.3 1 464 96 96 THR CA C 61.049 0.3 1 465 96 96 THR CB C 66.544 0.3 1 466 96 96 THR N N 125.555 0.3 1 467 97 97 ILE H H 8.345 0.03 1 468 97 97 ILE C C 177.144 0.3 1 469 97 97 ILE CA C 60.319 0.3 1 470 97 97 ILE CB C 40.108 0.3 1 471 97 97 ILE N N 123.076 0.3 1 472 98 98 THR H H 9.438 0.03 1 473 98 98 THR C C 174.765 0.3 1 474 98 98 THR CA C 62.193 0.3 1 475 98 98 THR CB C 70.342 0.3 1 476 98 98 THR N N 119.438 0.3 1 477 99 99 GLN H H 7.782 0.03 1 478 99 99 GLN C C 175.903 0.3 1 479 99 99 GLN CA C 55.422 0.3 1 480 99 99 GLN CB C 28.403 0.3 1 481 99 99 GLN N N 116.207 0.3 1 482 100 100 SER H H 8.390 0.03 1 483 100 100 SER C C 173.215 0.3 1 484 100 100 SER CA C 58.046 0.3 1 485 100 100 SER CB C 63.673 0.3 1 486 100 100 SER N N 115.488 0.3 1 487 101 101 PHE H H 8.492 0.03 1 488 101 101 PHE C C 175.259 0.3 1 489 101 101 PHE CA C 56.066 0.3 1 490 101 101 PHE CB C 40.546 0.3 1 491 101 101 PHE N N 121.243 0.3 1 492 102 102 ALA H H 8.502 0.03 1 493 102 102 ALA C C 177.629 0.3 1 494 102 102 ALA CA C 52.857 0.3 1 495 102 102 ALA CB C 17.793 0.3 1 496 102 102 ALA N N 123.315 0.3 1 497 103 103 VAL H H 8.326 0.03 1 498 103 103 VAL C C 176.491 0.3 1 499 103 103 VAL CA C 61.380 0.3 1 500 103 103 VAL CB C 30.428 0.3 1 501 103 103 VAL N N 119.607 0.3 1 502 104 104 GLY H H 8.061 0.03 1 503 104 104 GLY C C 173.993 0.3 1 504 104 104 GLY CA C 44.691 0.3 1 505 104 104 GLY N N 109.878 0.3 1 506 105 105 SER H H 7.944 0.03 1 507 105 105 SER C C 174.165 0.3 1 508 105 105 SER CA C 59.720 0.3 1 509 105 105 SER CB C 62.892 0.3 1 510 105 105 SER N N 115.152 0.3 1 511 106 106 ILE H H 7.938 0.03 1 512 106 106 ILE C C 174.877 0.3 1 513 106 106 ILE CA C 60.965 0.3 1 514 106 106 ILE CB C 38.527 0.3 1 515 106 106 ILE N N 121.422 0.3 1 516 107 107 SER H H 8.359 0.03 1 517 107 107 SER CA C 57.924 0.3 1 518 107 107 SER CB C 62.263 0.3 1 519 107 107 SER N N 123.087 0.3 1 520 108 108 PRO C C 170.101 0.3 1 521 108 108 PRO CA C 61.815 0.3 1 522 108 108 PRO CB C 31.365 0.3 1 523 109 109 ARG H H 8.245 0.03 1 524 109 109 ARG C C 175.872 0.3 1 525 109 109 ARG CA C 52.365 0.3 1 526 109 109 ARG CB C 32.221 0.3 1 527 109 109 ARG N N 125.265 0.3 1 528 110 110 ASP H H 8.765 0.03 1 529 110 110 ASP C C 173.021 0.3 1 530 110 110 ASP CA C 53.156 0.3 1 531 110 110 ASP CB C 45.221 0.3 1 532 110 110 ASP N N 116.894 0.3 1 533 111 111 PHE H H 8.610 0.03 1 534 111 111 PHE C C 175.097 0.3 1 535 111 111 PHE CA C 56.590 0.3 1 536 111 111 PHE CB C 42.878 0.3 1 537 111 111 PHE N N 114.592 0.3 1 538 112 112 ILE H H 8.042 0.03 1 539 112 112 ILE C C 173.921 0.3 1 540 112 112 ILE CA C 57.441 0.3 1 541 112 112 ILE CB C 37.118 0.3 1 542 112 112 ILE N N 123.590 0.3 1 543 113 113 ASP H H 8.172 0.03 1 544 113 113 ASP C C 173.668 0.3 1 545 113 113 ASP CA C 52.114 0.3 1 546 113 113 ASP CB C 44.113 0.3 1 547 113 113 ASP N N 122.923 0.3 1 548 114 114 LEU H H 8.862 0.03 1 549 114 114 LEU C C 174.285 0.3 1 550 114 114 LEU CA C 54.129 0.3 1 551 114 114 LEU CB C 44.153 0.3 1 552 114 114 LEU N N 123.262 0.3 1 553 115 115 VAL H H 9.037 0.03 1 554 115 115 VAL C C 173.676 0.3 1 555 115 115 VAL CA C 58.698 0.3 1 556 115 115 VAL CB C 32.522 0.3 1 557 115 115 VAL N N 130.600 0.3 1 558 116 116 TYR H H 8.801 0.03 1 559 116 116 TYR C C 173.859 0.3 1 560 116 116 TYR CA C 53.609 0.3 1 561 116 116 TYR CB C 43.578 0.3 1 562 116 116 TYR N N 126.646 0.3 1 563 117 117 ILE H H 8.282 0.03 1 564 117 117 ILE CA C 57.448 0.3 1 565 117 117 ILE CB C 40.840 0.3 1 566 117 117 ILE N N 126.458 0.3 1 567 118 118 LYS C C 173.316 0.3 1 568 118 118 LYS CB C 35.174 0.3 1 569 119 119 ARG H H 8.056 0.03 1 570 119 119 ARG C C 175.868 0.3 1 571 119 119 ARG CA C 54.783 0.3 1 572 119 119 ARG CB C 30.310 0.3 1 573 119 119 ARG N N 125.497 0.3 1 574 120 120 TYR H H 8.888 0.03 1 575 120 120 TYR C C 175.850 0.3 1 576 120 120 TYR CA C 57.273 0.3 1 577 120 120 TYR CB C 41.027 0.3 1 578 120 120 TYR N N 122.730 0.3 1 579 121 121 GLU H H 8.579 0.03 1 580 121 121 GLU C C 176.579 0.3 1 581 121 121 GLU CA C 57.259 0.3 1 582 121 121 GLU CB C 29.788 0.3 1 583 121 121 GLU N N 119.603 0.3 1 584 122 122 GLY H H 8.633 0.03 1 585 122 122 GLY C C 175.239 0.3 1 586 122 122 GLY CA C 44.722 0.3 1 587 122 122 GLY N N 109.293 0.3 1 588 123 123 ASN H H 8.381 0.03 1 589 123 123 ASN C C 171.660 0.3 1 590 123 123 ASN CA C 54.735 0.3 1 591 123 123 ASN CB C 37.203 0.3 1 592 123 123 ASN N N 112.876 0.3 1 593 124 124 MET H H 6.457 0.03 1 594 124 124 MET C C 173.852 0.3 1 595 124 124 MET CA C 54.151 0.3 1 596 124 124 MET CB C 34.701 0.3 1 597 124 124 MET N N 114.783 0.3 1 598 125 125 ASN H H 8.755 0.03 1 599 125 125 ASN C C 173.836 0.3 1 600 125 125 ASN CA C 51.661 0.3 1 601 125 125 ASN CB C 42.130 0.3 1 602 125 125 ASN N N 124.202 0.3 1 603 126 126 ILE H H 9.105 0.03 1 604 126 126 ILE C C 175.736 0.3 1 605 126 126 ILE CA C 60.389 0.3 1 606 126 126 ILE CB C 41.510 0.3 1 607 126 126 ILE N N 120.953 0.3 1 608 127 127 ILE H H 9.404 0.03 1 609 127 127 ILE C C 175.068 0.3 1 610 127 127 ILE CA C 60.687 0.3 1 611 127 127 ILE CB C 39.777 0.3 1 612 127 127 ILE N N 131.599 0.3 1 613 128 128 SER H H 9.881 0.03 1 614 128 128 SER C C 172.841 0.3 1 615 128 128 SER CA C 56.495 0.3 1 616 128 128 SER CB C 66.697 0.3 1 617 128 128 SER N N 122.619 0.3 1 618 129 129 SER H H 8.703 0.03 1 619 129 129 SER C C 172.567 0.3 1 620 129 129 SER CA C 57.095 0.3 1 621 129 129 SER CB C 66.567 0.3 1 622 129 129 SER N N 114.068 0.3 1 623 130 130 LYS H H 7.689 0.03 1 624 130 130 LYS C C 174.648 0.3 1 625 130 130 LYS CA C 55.722 0.3 1 626 130 130 LYS CB C 36.023 0.3 1 627 130 130 LYS N N 118.287 0.3 1 628 131 131 SER H H 9.309 0.03 1 629 131 131 SER C C 172.452 0.3 1 630 131 131 SER CA C 57.915 0.3 1 631 131 131 SER CB C 59.738 0.3 1 632 131 131 SER N N 123.105 0.3 1 633 132 132 VAL H H 7.983 0.03 1 634 132 132 VAL C C 174.318 0.3 1 635 132 132 VAL CA C 60.000 0.3 1 636 132 132 VAL CB C 33.241 0.3 1 637 132 132 VAL N N 111.094 0.3 1 638 133 133 ASP H H 8.094 0.03 1 639 133 133 ASP C C 175.114 0.3 1 640 133 133 ASP CA C 54.111 0.3 1 641 133 133 ASP CB C 41.615 0.3 1 642 133 133 ASP N N 120.764 0.3 1 643 134 134 PHE H H 8.694 0.03 1 644 134 134 PHE CA C 54.150 0.3 1 645 134 134 PHE CB C 42.255 0.3 1 646 134 134 PHE N N 125.048 0.3 1 647 135 135 PRO C C 176.329 0.3 1 648 135 135 PRO CA C 64.886 0.3 1 649 135 135 PRO CB C 32.487 0.3 1 650 136 136 GLU H H 7.082 0.03 1 651 136 136 GLU C C 175.105 0.3 1 652 136 136 GLU CA C 57.735 0.3 1 653 136 136 GLU CB C 29.762 0.3 1 654 136 136 GLU N N 114.611 0.3 1 655 137 137 TYR H H 8.023 0.03 1 656 137 137 TYR CA C 55.995 0.3 1 657 137 137 TYR CB C 40.389 0.3 1 658 137 137 TYR N N 117.289 0.3 1 659 139 139 PRO C C 175.864 0.3 1 660 139 139 PRO CA C 64.110 0.3 1 661 139 139 PRO CB C 31.509 0.3 1 662 140 140 SER H H 9.507 0.03 1 663 140 140 SER C C 174.492 0.3 1 664 140 140 SER CA C 56.597 0.3 1 665 140 140 SER CB C 66.525 0.3 1 666 140 140 SER N N 120.423 0.3 1 667 141 141 SER H H 8.439 0.03 1 668 141 141 SER C C 175.098 0.3 1 669 141 141 SER CA C 59.502 0.3 1 670 141 141 SER CB C 62.933 0.3 1 671 141 141 SER N N 114.360 0.3 1 672 142 142 ASN H H 7.886 0.03 1 673 142 142 ASN C C 173.533 0.3 1 674 142 142 ASN CA C 54.756 0.3 1 675 142 142 ASN CB C 38.691 0.3 1 676 142 142 ASN N N 117.150 0.3 1 677 143 143 TYR H H 6.891 0.03 1 678 143 143 TYR C C 174.943 0.3 1 679 143 143 TYR CA C 54.754 0.3 1 680 143 143 TYR CB C 41.644 0.3 1 681 143 143 TYR N N 113.595 0.3 1 682 144 144 ILE H H 7.398 0.03 1 683 144 144 ILE C C 174.769 0.3 1 684 144 144 ILE CA C 60.393 0.3 1 685 144 144 ILE CB C 38.051 0.3 1 686 144 144 ILE N N 123.179 0.3 1 687 145 145 ARG H H 8.401 0.03 1 688 145 145 ARG C C 176.166 0.3 1 689 145 145 ARG CA C 56.520 0.3 1 690 145 145 ARG CB C 30.010 0.3 1 691 145 145 ARG N N 130.002 0.3 1 692 146 146 GLY H H 8.473 0.03 1 693 146 146 GLY C C 171.349 0.3 1 694 146 146 GLY CA C 44.092 0.3 1 695 146 146 GLY N N 117.095 0.3 1 696 147 147 TYR H H 8.729 0.03 1 697 147 147 TYR C C 172.951 0.3 1 698 147 147 TYR CA C 58.658 0.3 1 699 147 147 TYR CB C 42.036 0.3 1 700 147 147 TYR N N 119.497 0.3 1 701 148 148 ASN H H 9.156 0.03 1 702 148 148 ASN C C 173.815 0.3 1 703 148 148 ASN CA C 52.804 0.3 1 704 148 148 ASN CB C 37.810 0.3 1 705 148 148 ASN N N 126.407 0.3 1 706 149 149 HIS H H 7.888 0.03 1 707 149 149 HIS CA C 55.983 0.3 1 708 149 149 HIS CB C 30.355 0.3 1 709 149 149 HIS N N 125.652 0.3 1 710 150 150 PRO C C 174.467 0.3 1 711 150 150 PRO CA C 63.435 0.3 1 712 151 151 CYS H H 8.483 0.03 1 713 151 151 CYS C C 172.339 0.3 1 714 151 151 CYS CA C 55.992 0.3 1 715 151 151 CYS CB C 29.934 0.3 1 716 151 151 CYS N N 118.270 0.3 1 717 152 152 GLY H H 8.474 0.03 1 718 152 152 GLY C C 171.465 0.3 1 719 152 152 GLY CA C 46.020 0.3 1 720 152 152 GLY N N 104.169 0.3 1 721 153 153 PHE H H 9.225 0.03 1 722 153 153 PHE C C 174.262 0.3 1 723 153 153 PHE CA C 55.653 0.3 1 724 153 153 PHE CB C 42.269 0.3 1 725 153 153 PHE N N 116.934 0.3 1 726 154 154 VAL H H 9.968 0.03 1 727 154 154 VAL C C 175.726 0.3 1 728 154 154 VAL CA C 61.344 0.3 1 729 154 154 VAL CB C 33.506 0.3 1 730 154 154 VAL N N 123.441 0.3 1 731 155 155 CYS H H 9.001 0.03 1 732 155 155 CYS C C 173.141 0.3 1 733 155 155 CYS CA C 56.060 0.3 1 734 155 155 CYS CB C 30.388 0.3 1 735 155 155 CYS N N 125.695 0.3 1 736 156 156 SER H H 8.527 0.03 1 737 156 156 SER CA C 56.607 0.3 1 738 156 156 SER CB C 63.503 0.3 1 739 156 156 SER N N 118.549 0.3 1 740 157 157 PRO C C 177.174 0.3 1 741 157 157 PRO CA C 62.821 0.3 1 742 158 158 MET H H 8.186 0.03 1 743 158 158 MET C C 177.137 0.3 1 744 158 158 MET CA C 55.688 0.3 1 745 158 158 MET CB C 31.351 0.3 1 746 158 158 MET N N 124.299 0.3 1 747 159 159 GLU H H 9.010 0.03 1 748 159 159 GLU C C 178.063 0.3 1 749 159 159 GLU CA C 59.999 0.3 1 750 159 159 GLU CB C 28.571 0.3 1 751 159 159 GLU N N 127.552 0.3 1 752 160 160 GLU H H 8.853 0.03 1 753 160 160 GLU C C 176.368 0.3 1 754 160 160 GLU CA C 57.250 0.3 1 755 160 160 GLU CB C 29.653 0.3 1 756 160 160 GLU N N 114.605 0.3 1 757 161 161 ASN H H 6.896 0.03 1 758 161 161 ASN CA C 51.055 0.3 1 759 161 161 ASN CB C 38.468 0.3 1 760 161 161 ASN N N 112.462 0.3 1 761 162 162 PRO C C 175.424 0.3 1 762 162 162 PRO CA C 64.102 0.3 1 763 162 162 PRO CB C 32.218 0.3 1 764 163 163 ALA H H 7.325 0.03 1 765 163 163 ALA C C 175.743 0.3 1 766 163 163 ALA CA C 52.272 0.3 1 767 163 163 ALA CB C 18.432 0.3 1 768 163 163 ALA N N 119.310 0.3 1 769 164 164 TYR H H 7.968 0.03 1 770 164 164 TYR C C 175.362 0.3 1 771 164 164 TYR CA C 53.126 0.3 1 772 164 164 TYR CB C 39.732 0.3 1 773 164 164 TYR N N 117.568 0.3 1 774 165 165 SER H H 8.470 0.03 1 775 165 165 SER C C 173.965 0.3 1 776 165 165 SER CA C 58.553 0.3 1 777 165 165 SER CB C 67.781 0.3 1 778 165 165 SER N N 113.156 0.3 1 779 166 166 LYS H H 8.990 0.03 1 780 166 166 LYS C C 174.467 0.3 1 781 166 166 LYS CA C 55.300 0.3 1 782 166 166 LYS CB C 34.064 0.3 1 783 166 166 LYS N N 124.146 0.3 1 784 167 167 LEU H H 8.632 0.03 1 785 167 167 LEU C C 174.003 0.3 1 786 167 167 LEU CA C 52.921 0.3 1 787 167 167 LEU CB C 43.641 0.3 1 788 167 167 LEU N N 129.294 0.3 1 789 168 168 VAL H H 8.690 0.03 1 790 168 168 VAL C C 173.878 0.3 1 791 168 168 VAL CA C 60.038 0.3 1 792 168 168 VAL CB C 33.845 0.3 1 793 168 168 VAL N N 125.473 0.3 1 794 169 169 MET H H 9.256 0.03 1 795 169 169 MET C C 173.851 0.3 1 796 169 169 MET CA C 52.412 0.3 1 797 169 169 MET CB C 36.129 0.3 1 798 169 169 MET N N 127.696 0.3 1 799 170 170 PHE H H 9.300 0.03 1 800 170 170 PHE C C 175.554 0.3 1 801 170 170 PHE CA C 53.751 0.3 1 802 170 170 PHE CB C 41.644 0.3 1 803 170 170 PHE N N 123.664 0.3 1 804 171 171 VAL H H 9.025 0.03 1 805 171 171 VAL C C 173.318 0.3 1 806 171 171 VAL CA C 59.352 0.3 1 807 171 171 VAL CB C 35.772 0.3 1 808 171 171 VAL N N 122.500 0.3 1 809 172 172 GLN H H 9.217 0.03 1 810 172 172 GLN C C 173.696 0.3 1 811 172 172 GLN CA C 54.598 0.3 1 812 172 172 GLN CB C 29.283 0.3 1 813 172 172 GLN N N 135.250 0.3 1 814 173 173 THR H H 8.541 0.03 1 815 173 173 THR C C 171.989 0.3 1 816 173 173 THR CA C 62.929 0.3 1 817 173 173 THR CB C 71.375 0.3 1 818 173 173 THR N N 119.625 0.3 1 819 174 174 GLU H H 9.156 0.03 1 820 174 174 GLU C C 175.604 0.3 1 821 174 174 GLU CA C 54.671 0.3 1 822 174 174 GLU CB C 30.398 0.3 1 823 174 174 GLU N N 127.883 0.3 1 824 175 175 MET H H 8.769 0.03 1 825 175 175 MET C C 176.752 0.3 1 826 175 175 MET CA C 56.045 0.3 1 827 175 175 MET CB C 32.580 0.3 1 828 175 175 MET N N 124.313 0.3 1 829 176 176 ARG H H 8.508 0.03 1 830 176 176 ARG C C 176.183 0.3 1 831 176 176 ARG CA C 56.969 0.3 1 832 176 176 ARG CB C 27.171 0.3 1 833 176 176 ARG N N 111.435 0.3 1 834 177 177 GLY H H 8.485 0.03 1 835 177 177 GLY CA C 45.918 0.3 1 836 177 177 GLY N N 108.903 0.3 1 837 178 178 LYS C C 175.850 0.3 1 838 178 178 LYS CB C 31.534 0.3 1 839 179 179 LEU H H 7.205 0.03 1 840 179 179 LEU C C 176.480 0.3 1 841 179 179 LEU CA C 54.759 0.3 1 842 179 179 LEU CB C 42.913 0.3 1 843 179 179 LEU N N 122.148 0.3 1 844 180 180 SER H H 8.387 0.03 1 845 180 180 SER CA C 58.795 0.3 1 846 180 180 SER CB C 63.458 0.3 1 847 180 180 SER N N 121.616 0.3 1 848 182 182 SER C C 176.681 0.3 1 849 182 182 SER CA C 61.042 0.3 1 850 183 183 ILE H H 7.405 0.03 1 851 183 183 ILE C C 179.139 0.3 1 852 183 183 ILE CA C 63.503 0.3 1 853 183 183 ILE CB C 37.852 0.3 1 854 183 183 ILE N N 122.130 0.3 1 855 184 184 ILE H H 7.494 0.03 1 856 184 184 ILE C C 177.709 0.3 1 857 184 184 ILE CA C 63.966 0.3 1 858 184 184 ILE CB C 37.605 0.3 1 859 184 184 ILE N N 122.769 0.3 1 860 185 185 GLU H H 8.180 0.03 1 861 185 185 GLU C C 178.096 0.3 1 862 185 185 GLU CA C 59.116 0.3 1 863 185 185 GLU CB C 29.721 0.3 1 864 185 185 GLU N N 118.281 0.3 1 865 186 186 LYS H H 7.365 0.03 1 866 186 186 LYS C C 175.375 0.3 1 867 186 186 LYS CA C 57.809 0.3 1 868 186 186 LYS CB C 31.933 0.3 1 869 186 186 LYS N N 114.558 0.3 1 870 187 187 THR H H 7.611 0.03 1 871 187 187 THR C C 172.897 0.3 1 872 187 187 THR CA C 64.604 0.3 1 873 187 187 THR CB C 66.752 0.3 1 874 187 187 THR N N 112.256 0.3 1 875 188 188 MET H H 8.378 0.03 1 876 188 188 MET CA C 55.987 0.3 1 877 188 188 MET CB C 30.325 0.3 1 878 188 188 MET N N 120.439 0.3 1 879 189 189 PRO C C 177.732 0.3 1 880 189 189 PRO CA C 63.931 0.3 1 881 189 189 PRO CB C 33.509 0.3 1 882 190 190 SER H H 7.701 0.03 1 883 190 190 SER C C 176.056 0.3 1 884 190 190 SER CA C 62.798 0.3 1 885 190 190 SER CB C 64.730 0.3 1 886 190 190 SER N N 111.049 0.3 1 887 191 191 ASN H H 7.552 0.03 1 888 191 191 ASN C C 178.220 0.3 1 889 191 191 ASN CA C 55.832 0.3 1 890 191 191 ASN CB C 37.979 0.3 1 891 191 191 ASN N N 120.146 0.3 1 892 192 192 LEU H H 8.241 0.03 1 893 192 192 LEU C C 178.184 0.3 1 894 192 192 LEU CA C 57.997 0.3 1 895 192 192 LEU CB C 40.320 0.3 1 896 192 192 LEU N N 121.551 0.3 1 897 193 193 VAL H H 7.612 0.03 1 898 193 193 VAL C C 177.581 0.3 1 899 193 193 VAL CA C 66.732 0.3 1 900 193 193 VAL CB C 31.654 0.3 1 901 193 193 VAL N N 119.520 0.3 1 902 194 194 ASN H H 7.583 0.03 1 903 194 194 ASN C C 176.840 0.3 1 904 194 194 ASN CA C 55.994 0.3 1 905 194 194 ASN CB C 37.163 0.3 1 906 194 194 ASN N N 115.331 0.3 1 907 195 195 PHE H H 7.943 0.03 1 908 195 195 PHE C C 176.845 0.3 1 909 195 195 PHE CA C 60.005 0.3 1 910 195 195 PHE CB C 37.816 0.3 1 911 195 195 PHE N N 119.943 0.3 1 912 196 196 ILE H H 7.469 0.03 1 913 196 196 ILE C C 178.156 0.3 1 914 196 196 ILE CA C 62.387 0.3 1 915 196 196 ILE CB C 38.173 0.3 1 916 196 196 ILE N N 118.392 0.3 1 917 197 197 LEU H H 8.009 0.03 1 918 197 197 LEU C C 179.791 0.3 1 919 197 197 LEU CA C 57.892 0.3 1 920 197 197 LEU CB C 39.776 0.3 1 921 197 197 LEU N N 119.308 0.3 1 922 198 198 ASN H H 8.665 0.03 1 923 198 198 ASN C C 177.926 0.3 1 924 198 198 ASN CA C 55.993 0.3 1 925 198 198 ASN CB C 37.140 0.3 1 926 198 198 ASN N N 119.234 0.3 1 927 199 199 ALA H H 8.420 0.03 1 928 199 199 ALA C C 178.017 0.3 1 929 199 199 ALA CA C 54.863 0.3 1 930 199 199 ALA CB C 16.508 0.3 1 931 199 199 ALA N N 125.871 0.3 1 932 200 200 LYS H H 8.127 0.03 1 933 200 200 LYS C C 178.228 0.3 1 934 200 200 LYS CA C 59.926 0.3 1 935 200 200 LYS CB C 32.540 0.3 1 936 200 200 LYS N N 117.125 0.3 1 937 201 201 ASP H H 7.564 0.03 1 938 201 201 ASP C C 179.009 0.3 1 939 201 201 ASP CA C 56.966 0.3 1 940 201 201 ASP CB C 41.072 0.3 1 941 201 201 ASP N N 117.557 0.3 1 942 202 202 GLY H H 8.551 0.03 1 943 202 202 GLY C C 175.895 0.3 1 944 202 202 GLY CA C 46.926 0.3 1 945 202 202 GLY N N 109.523 0.3 1 946 203 203 ILE H H 7.640 0.03 1 947 203 203 ILE C C 176.420 0.3 1 948 203 203 ILE CA C 62.899 0.3 1 949 203 203 ILE CB C 36.401 0.3 1 950 203 203 ILE N N 121.703 0.3 1 951 204 204 LYS H H 6.771 0.03 1 952 204 204 LYS C C 177.319 0.3 1 953 204 204 LYS CA C 58.174 0.3 1 954 204 204 LYS CB C 32.255 0.3 1 955 204 204 LYS N N 121.460 0.3 1 956 205 205 ALA H H 7.207 0.03 1 957 205 205 ALA C C 177.552 0.3 1 958 205 205 ALA CA C 52.782 0.3 1 959 205 205 ALA CB C 18.941 0.3 1 960 205 205 ALA N N 119.969 0.3 1 961 206 206 HIS H H 7.509 0.03 1 962 206 206 HIS C C 174.804 0.3 1 963 206 206 HIS CA C 56.618 0.3 1 964 206 206 HIS CB C 30.505 0.3 1 965 206 206 HIS N N 117.845 0.3 1 966 207 207 ARG H H 7.810 0.03 1 967 207 207 ARG C C 175.743 0.3 1 968 207 207 ARG CA C 55.728 0.3 1 969 207 207 ARG CB C 30.996 0.3 1 970 207 207 ARG N N 122.606 0.3 1 971 208 208 THR H H 7.993 0.03 1 972 208 208 THR CA C 59.760 0.3 1 973 208 208 THR CB C 69.163 0.3 1 974 208 208 THR N N 117.563 0.3 1 975 209 209 PRO C C 176.813 0.3 1 976 209 209 PRO CB C 32.238 0.3 1 977 210 210 SER H H 8.289 0.03 1 978 210 210 SER C C 174.650 0.3 1 979 210 210 SER CA C 58.492 0.3 1 980 210 210 SER CB C 63.520 0.3 1 981 210 210 SER N N 115.976 0.3 1 982 211 211 ARG H H 8.296 0.03 1 983 211 211 ARG C C 176.066 0.3 1 984 211 211 ARG CA C 56.029 0.3 1 985 211 211 ARG CB C 30.388 0.3 1 986 211 211 ARG N N 122.995 0.3 1 987 212 212 ARG H H 8.226 0.03 1 988 212 212 ARG C C 176.562 0.3 1 989 212 212 ARG CA C 56.306 0.3 1 990 212 212 ARG CB C 30.775 0.3 1 991 212 212 ARG N N 121.827 0.3 1 992 213 213 GLY H H 8.299 0.03 1 993 213 213 GLY C C 173.493 0.3 1 994 213 213 GLY CA C 44.975 0.3 1 995 213 213 GLY N N 109.698 0.3 1 996 214 214 PHE H H 7.958 0.03 1 997 214 214 PHE CA C 57.851 0.3 1 998 214 214 PHE CB C 39.749 0.3 1 999 214 214 PHE N N 119.662 0.3 1 1000 216 216 HIS C C 173.538 0.3 1 1001 216 216 HIS CB C 30.233 0.3 1 1002 217 217 ASN H H 8.184 0.03 1 1003 217 217 ASN C C 176.190 0.3 1 1004 217 217 ASN CA C 54.765 0.3 1 1005 217 217 ASN CB C 40.951 0.3 1 1006 217 217 ASN N N 125.440 0.3 1 1007 218 218 SER H H 8.096 0.03 1 1008 218 218 SER CA C 58.525 0.3 1 1009 218 218 SER CB C 63.522 0.3 1 1010 218 218 SER N N 115.953 0.3 1 stop_ save_