data_26721 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; RXFP1-LDLa linker ; _BMRB_accession_number 26721 _BMRB_flat_file_name bmr26721.str _Entry_type original _Submission_date 2015-12-13 _Accession_date 2015-12-13 _Entry_origination author _NMR_STAR_version 2.1.1 _Experimental_method NMR _Details 'RXFP1-LDLa linker' loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Sethi Ashish . . 2 Gooley Paul R. . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 132 "13C chemical shifts" 198 "15N chemical shifts" 66 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2016-02-12 original BMRB . stop_ _Original_release_date 2016-02-12 save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full . _Citation_title ; Native Chemical Ligation to Minimize Aspartimide Formation during Chemical Synthesis of Small LDLa Protein ; _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 26612092 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Tailhades J. . . 2 Sethi Ashish . . 3 Petrie Emma J. . 4 Gooley Paul R. . 5 Bathgate Ross A.D. . 6 Wade R. D. . 7 Hossain Mohammed A. . stop_ _Journal_abbreviation Chemistry _Journal_volume 22 _Journal_issue 3 _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 1146 _Page_last 1151 _Year 2016 _Details . loop_ _Keyword GPCR 'LDLa module' NMR 'protein interaction' relaxin stop_ save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name RXFP1(1-72) _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label RXFP1(1-72) $RXFP1(1-72) Calcium $entity_CA stop_ _System_molecular_weight 8169 _System_physical_state native _System_oligomer_state ? _System_paramagnetic no _System_thiol_state . _Database_query_date . _Details . save_ ######################## # Monomeric polymers # ######################## save_RXFP1(1-72) _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common RXFP1(1-72) _Molecular_mass 8128.9 _Mol_thiol_state 'all disulfide bound' loop_ _Biological_function 'LDLa-LRR linker of RXFP1 contains relaxin binding site' stop_ _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 72 _Mol_residue_sequence ; QDVKCSLGYFPCGNITKCLP QLLHCNGVDDCGNQADEDNC GDNNGWSLQFDKYFASYYKM TSQYPFEAETPE ; loop_ _Residue_seq_code _Residue_label 1 GLN 2 ASP 3 VAL 4 LYS 5 CYS 6 SER 7 LEU 8 GLY 9 TYR 10 PHE 11 PRO 12 CYS 13 GLY 14 ASN 15 ILE 16 THR 17 LYS 18 CYS 19 LEU 20 PRO 21 GLN 22 LEU 23 LEU 24 HIS 25 CYS 26 ASN 27 GLY 28 VAL 29 ASP 30 ASP 31 CYS 32 GLY 33 ASN 34 GLN 35 ALA 36 ASP 37 GLU 38 ASP 39 ASN 40 CYS 41 GLY 42 ASP 43 ASN 44 ASN 45 GLY 46 TRP 47 SER 48 LEU 49 GLN 50 PHE 51 ASP 52 LYS 53 TYR 54 PHE 55 ALA 56 SER 57 TYR 58 TYR 59 LYS 60 MET 61 THR 62 SER 63 GLN 64 TYR 65 PRO 66 PHE 67 GLU 68 ALA 69 GLU 70 THR 71 PRO 72 GLU 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 UNP Q9HBX9 RXFP1 . . . . . stop_ save_ ############# # Ligands # ############# save_CA _Saveframe_category ligand _Mol_type "non-polymer (NON-POLYMER)" _Name_common "entity_CA (CALCIUM ION)" _BMRB_code CA _PDB_code CA _Molecular_mass 40.078 _Mol_charge 2 _Mol_paramagnetic . _Mol_aromatic no _Details . loop_ _Atom_name _PDB_atom_name _Atom_type _Atom_chirality _Atom_charge _Atom_oxidation_number _Atom_unpaired_electrons CA CA CA . 2 . ? stop_ _Mol_thiol_state . _Sequence_homology_query_date . save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species $RXFP1(1-72) 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 $RXFP1(1-72) 'recombinant technology' . Escherichia coli 'BL21 DE3 trxB' pGEV2 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 $RXFP1(1-72) 100 uM '[U-100% 13C; U-100% 15N; U-80% 2H]' $entity_CA 10 mM 'natural abundance' imidazole 50 mM 'natural abundance' stop_ save_ save_sample_2 _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $RXFP1(1-72) 100 uM '[U-100% 13C; U-100% 15N]' $entity_CA 10 mM 'natural abundance' imidazole 50 mM '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_SPARKY _Saveframe_category software _Name SPARKY _Version . loop_ _Vendor _Address _Electronic_address Goddard . . stop_ loop_ _Task 'chemical shift assignment' 'peak picking' stop_ _Details . save_ save_TOPSPIN _Saveframe_category software _Name TOPSPIN _Version . loop_ _Vendor _Address _Electronic_address 'Bruker Biospin' . . stop_ loop_ _Task collection stop_ _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model Avance _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_3D_HNCACB_2 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCACB' _Sample_label $sample_1 save_ save_3D_HN(CO)CA_3 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HN(CO)CA' _Sample_label $sample_1 save_ save_3D_HNCO_4 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCO' _Sample_label $sample_1 save_ save_3D_HN(CO)CACB_5 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HN(CO)CACB' _Sample_label $sample_1 save_ save_2D_1H-15N_HSQC_6 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-15N HSQC' _Sample_label $sample_2 save_ save_3D_HNHA_7 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNHA' _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 . M pH 6.8 . pH pressure 1 . atm temperature 298 . K stop_ save_ save_sample_conditions_2 _Saveframe_category sample_conditions _Details . loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units pH 6.8 . pH pressure 1 . atm temperature 298 . K stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference_1 _Saveframe_category chemical_shift_reference _Details . loop_ _Mol_common_name _Atom_type _Atom_isotope_number _Atom_group _Chem_shift_units _Chem_shift_value _Reference_method _Reference_type _External_reference_sample_geometry _External_reference_location _External_reference_axis _Indirect_shift_ratio DSS C 13 'methyl protons' ppm 0.00 na indirect . . . 0.251449530 DSS H 1 'methyl protons' ppm 0.00 internal direct . . . 1.000000000 DSS N 15 'methyl protons' ppm 0.00 na indirect . . . 0.101329118 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_assigned_chem_shift_list_1 _Saveframe_category assigned_chemical_shifts _Details . loop_ _Experiment_label '2D 1H-15N HSQC' '3D HNCACB' '3D HN(CO)CA' '3D HNCO' '3D HN(CO)CACB' 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 RXFP1(1-72) _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 3 3 VAL H H 8.050 . . 2 3 3 VAL HA H 3.951 . . 3 3 3 VAL C C 175.908 . . 4 3 3 VAL CA C 61.852 . . 5 3 3 VAL CB C 31.781 . . 6 3 3 VAL N N 122.098 . . 7 4 4 LYS H H 8.236 . . 8 4 4 LYS HA H 4.313 . . 9 4 4 LYS C C 175.328 . . 10 4 4 LYS CA C 55.215 . . 11 4 4 LYS CB C 32.599 . . 12 4 4 LYS N N 125.334 . . 13 5 5 CYS H H 8.446 . . 14 5 5 CYS HA H 4.742 . . 15 5 5 CYS C C 176.366 . . 16 5 5 CYS CA C 52.305 . . 17 5 5 CYS CB C 40.204 . . 18 5 5 CYS N N 119.900 . . 19 6 6 SER H H 8.536 . . 20 6 6 SER HA H 4.284 . . 21 6 6 SER C C 174.679 . . 22 6 6 SER CA C 58.157 . . 23 6 6 SER CB C 63.513 . . 24 6 6 SER N N 118.364 . . 25 7 7 LEU H H 8.178 . . 26 7 7 LEU HA H 4.131 . . 27 7 7 LEU C C 175.574 . . 28 7 7 LEU CA C 56.868 . . 29 7 7 LEU CB C 40.601 . . 30 7 7 LEU N N 121.995 . . 31 8 8 GLY H H 8.942 . . 32 8 8 GLY HA2 H 4.195 . . 33 8 8 GLY HA3 H 4.195 . . 34 8 8 GLY C C 172.572 . . 35 8 8 GLY CA C 44.668 . . 36 8 8 GLY N N 112.532 . . 37 9 9 TYR H H 8.358 . . 38 9 9 TYR HA H 5.224 . . 39 9 9 TYR C C 173.985 . . 40 9 9 TYR CA C 56.074 . . 41 9 9 TYR CB C 40.552 . . 42 9 9 TYR N N 121.416 . . 43 10 10 PHE H H 9.429 . . 44 10 10 PHE HA H 5.113 . . 45 10 10 PHE C C 174.325 . . 46 10 10 PHE CA C 53.991 . . 47 10 10 PHE CB C 39.906 . . 48 10 10 PHE N N 119.599 . . 49 11 11 PRO HA H 5.135 . . 50 11 11 PRO CA C 61.530 . . 51 11 11 PRO CB C 31.178 . . 52 12 12 CYS H H 7.946 . . 53 12 12 CYS HA H 4.785 . . 54 12 12 CYS C C 172.365 . . 55 12 12 CYS CA C 55.578 . . 56 12 12 CYS CB C 37.328 . . 57 12 12 CYS N N 118.366 . . 58 13 13 GLY H H 7.724 . . 59 13 13 GLY HA2 H 3.951 . . 60 13 13 GLY HA3 H 3.951 . . 61 13 13 GLY CA C 46.949 . . 62 13 13 GLY N N 110.200 . . 63 14 14 ASN H H 8.061 . . 64 14 14 ASN HA H 4.146 . . 65 14 14 ASN C C 177.387 . . 66 14 14 ASN CA C 53.297 . . 67 14 14 ASN CB C 37.129 . . 68 14 14 ASN N N 118.752 . . 69 15 15 ILE H H 7.353 . . 70 15 15 ILE HA H 4.190 . . 71 15 15 ILE C C 175.477 . . 72 15 15 ILE CA C 60.538 . . 73 15 15 ILE CB C 38.263 . . 74 15 15 ILE N N 119.869 . . 75 16 16 THR H H 8.255 . . 76 16 16 THR HA H 3.981 . . 77 16 16 THR C C 176.253 . . 78 16 16 THR CA C 61.133 . . 79 16 16 THR CB C 66.985 . . 80 16 16 THR N N 119.708 . . 81 17 17 LYS H H 7.904 . . 82 17 17 LYS HA H 4.273 . . 83 17 17 LYS C C 173.936 . . 84 17 17 LYS CA C 55.826 . . 85 17 17 LYS CB C 34.848 . . 86 17 17 LYS N N 125.751 . . 87 18 18 CYS H H 8.475 . . 88 18 18 CYS HA H 5.211 . . 89 18 18 CYS C C 174.016 . . 90 18 18 CYS CA C 54.288 . . 91 18 18 CYS CB C 44.172 . . 92 18 18 CYS N N 122.151 . . 93 19 19 LEU H H 8.928 . . 94 19 19 LEU HA H 4.859 . . 95 19 19 LEU C C 173.934 . . 96 19 19 LEU CA C 50.916 . . 97 19 19 LEU CB C 41.097 . . 98 19 19 LEU N N 123.419 . . 99 20 20 PRO CA C 62.125 . . 100 20 20 PRO CB C 31.079 . . 101 21 21 GLN H H 7.930 . . 102 21 21 GLN C C 177.918 . . 103 21 21 GLN CA C 58.802 . . 104 21 21 GLN CB C 27.309 . . 105 21 21 GLN N N 120.623 . . 106 22 22 LEU H H 8.039 . . 107 22 22 LEU CA C 57.265 . . 108 22 22 LEU CB C 40.799 . . 109 22 22 LEU N N 118.779 . . 110 23 23 LEU H H 8.053 . . 111 23 23 LEU HA H 4.302 . . 112 23 23 LEU C C 177.251 . . 113 23 23 LEU CA C 54.537 . . 114 23 23 LEU CB C 38.865 . . 115 23 23 LEU N N 114.173 . . 116 24 24 HIS H H 8.435 . . 117 24 24 HIS HA H 4.370 . . 118 24 24 HIS C C 172.680 . . 119 24 24 HIS CA C 55.578 . . 120 24 24 HIS CB C 28.303 . . 121 24 24 HIS N N 126.692 . . 122 25 25 CYS H H 8.770 . . 123 25 25 CYS HA H 4.611 . . 124 25 25 CYS C C 172.831 . . 125 25 25 CYS CA C 55.975 . . 126 25 25 CYS CB C 43.874 . . 127 25 25 CYS N N 124.684 . . 128 26 26 ASN H H 9.581 . . 129 26 26 ASN HA H 4.921 . . 130 26 26 ASN C C 175.039 . . 131 26 26 ASN CA C 51.066 . . 132 26 26 ASN CB C 38.840 . . 133 26 26 ASN N N 119.493 . . 134 27 27 GLY H H 9.319 . . 135 27 27 GLY HA2 H 4.012 . . 136 27 27 GLY HA3 H 4.012 . . 137 27 27 GLY C C 176.607 . . 138 27 27 GLY CA C 45.163 . . 139 27 27 GLY N N 110.758 . . 140 28 28 VAL H H 6.951 . . 141 28 28 VAL HA H 4.122 . . 142 28 28 VAL C C 173.219 . . 143 28 28 VAL CA C 60.216 . . 144 28 28 VAL CB C 34.352 . . 145 28 28 VAL N N 118.133 . . 146 29 29 ASP H H 9.107 . . 147 29 29 ASP C C 174.885 . . 148 29 29 ASP CA C 55.925 . . 149 29 29 ASP CB C 42.237 . . 150 29 29 ASP N N 128.573 . . 151 30 30 ASP H H 9.900 . . 152 30 30 ASP C C 174.662 . . 153 30 30 ASP CA C 55.613 . . 154 30 30 ASP CB C 44.168 . . 155 30 30 ASP N N 125.661 . . 156 31 31 CYS H H 8.630 . . 157 31 31 CYS HA H 4.363 . . 158 31 31 CYS C C 177.152 . . 159 31 31 CYS CA C 57.462 . . 160 31 31 CYS CB C 43.527 . . 161 31 31 CYS N N 118.493 . . 162 32 32 GLY H H 9.403 . . 163 32 32 GLY HA2 H 4.311 . . 164 32 32 GLY HA3 H 4.311 . . 165 32 32 GLY C C 175.537 . . 166 32 32 GLY CA C 44.651 . . 167 32 32 GLY N N 110.623 . . 168 33 33 ASN H H 7.333 . . 169 33 33 ASN HA H 4.762 . . 170 33 33 ASN C C 173.128 . . 171 33 33 ASN CA C 51.221 . . 172 33 33 ASN CB C 38.353 . . 173 33 33 ASN N N 117.507 . . 174 34 34 GLN H H 9.139 . . 175 34 34 GLN HA H 3.595 . . 176 34 34 GLN C C 176.586 . . 177 34 34 GLN CA C 58.257 . . 178 34 34 GLN CB C 27.877 . . 179 34 34 GLN N N 113.797 . . 180 35 35 ALA H H 8.051 . . 181 35 35 ALA HA H 4.094 . . 182 35 35 ALA C C 174.223 . . 183 35 35 ALA CA C 55.907 . . 184 35 35 ALA CB C 17.837 . . 185 35 35 ALA N N 122.570 . . 186 36 36 ASP H H 10.300 . . 187 36 36 ASP C C 172.801 . . 188 36 36 ASP CA C 53.521 . . 189 36 36 ASP CB C 39.361 . . 190 36 36 ASP N N 109.354 . . 191 37 37 GLU H H 7.590 . . 192 37 37 GLU HA H 4.586 . . 193 37 37 GLU C C 174.516 . . 194 37 37 GLU CA C 53.843 . . 195 37 37 GLU CB C 29.938 . . 196 37 37 GLU N N 118.085 . . 197 38 38 ASP H H 7.286 . . 198 38 38 ASP HA H 4.590 . . 199 38 38 ASP C C 175.512 . . 200 38 38 ASP CA C 54.090 . . 201 38 38 ASP CB C 41.593 . . 202 38 38 ASP N N 121.015 . . 203 39 39 ASN H H 8.563 . . 204 39 39 ASN HA H 4.518 . . 205 39 39 ASN C C 175.897 . . 206 39 39 ASN CA C 53.445 . . 207 39 39 ASN CB C 36.930 . . 208 39 39 ASN N N 118.740 . . 209 40 40 CYS H H 8.119 . . 210 40 40 CYS HA H 4.469 . . 211 40 40 CYS C C 175.440 . . 212 40 40 CYS CA C 55.330 . . 213 40 40 CYS CB C 36.787 . . 214 40 40 CYS N N 117.109 . . 215 41 41 GLY H H 8.476 . . 216 41 41 GLY HA2 H 3.828 . . 217 41 41 GLY HA3 H 3.828 . . 218 41 41 GLY C C 175.947 . . 219 41 41 GLY CA C 45.008 . . 220 41 41 GLY N N 109.923 . . 221 42 42 ASP H H 8.145 . . 222 42 42 ASP HA H 4.516 . . 223 42 42 ASP C C 173.848 . . 224 42 42 ASP CA C 54.062 . . 225 42 42 ASP CB C 40.543 . . 226 42 42 ASP N N 120.284 . . 227 43 43 ASN H H 8.351 . . 228 43 43 ASN HA H 4.537 . . 229 43 43 ASN C C 176.275 . . 230 43 43 ASN CA C 53.545 . . 231 43 43 ASN CB C 38.071 . . 232 43 43 ASN N N 118.778 . . 233 44 44 ASN H H 8.322 . . 234 44 44 ASN HA H 4.556 . . 235 44 44 ASN C C 175.241 . . 236 44 44 ASN CA C 53.347 . . 237 44 44 ASN CB C 37.971 . . 238 44 44 ASN N N 118.413 . . 239 45 45 GLY H H 8.293 . . 240 45 45 GLY HA2 H 3.810 . . 241 45 45 GLY HA3 H 3.810 . . 242 45 45 GLY C C 175.857 . . 243 45 45 GLY CA C 45.213 . . 244 45 45 GLY N N 113.017 . . 245 46 46 TRP H H 7.953 . . 246 46 46 TRP HA H 4.499 . . 247 46 46 TRP HE1 H 10.059 . . 248 46 46 TRP C C 174.537 . . 249 46 46 TRP CA C 57.615 . . 250 46 46 TRP CB C 28.896 . . 251 46 46 TRP N N 123.620 . . 252 47 47 SER H H 7.954 . . 253 47 47 SER HA H 4.138 . . 254 47 47 SER C C 176.681 . . 255 47 47 SER CA C 58.625 . . 256 47 47 SER CB C 62.919 . . 257 47 47 SER N N 116.280 . . 258 48 48 LEU H H 7.888 . . 259 48 48 LEU HA H 4.112 . . 260 48 48 LEU C C 174.701 . . 261 48 48 LEU CA C 55.677 . . 262 48 48 LEU CB C 40.998 . . 263 48 48 LEU N N 122.924 . . 264 49 49 GLN H H 7.913 . . 265 49 49 GLN HA H 4.071 . . 266 49 49 GLN C C 177.611 . . 267 49 49 GLN CA C 55.838 . . 268 49 49 GLN CB C 28.171 . . 269 49 49 GLN N N 118.735 . . 270 50 50 PHE H H 7.920 . . 271 50 50 PHE HA H 4.395 . . 272 50 50 PHE C C 176.077 . . 273 50 50 PHE CA C 58.207 . . 274 50 50 PHE CB C 38.612 . . 275 50 50 PHE N N 119.931 . . 276 51 51 ASP H H 8.088 . . 277 51 51 ASP HA H 4.363 . . 278 51 51 ASP C C 176.521 . . 279 51 51 ASP CA C 55.522 . . 280 51 51 ASP CB C 40.393 . . 281 51 51 ASP N N 120.276 . . 282 52 52 LYS H H 7.961 . . 283 52 52 LYS HA H 3.970 . . 284 52 52 LYS C C 176.336 . . 285 52 52 LYS CA C 57.166 . . 286 52 52 LYS CB C 31.525 . . 287 52 52 LYS N N 120.179 . . 288 53 53 TYR H H 7.968 . . 289 53 53 TYR HA H 4.300 . . 290 53 53 TYR C C 177.043 . . 291 53 53 TYR CA C 58.373 . . 292 53 53 TYR CB C 37.575 . . 293 53 53 TYR N N 119.478 . . 294 54 54 PHE H H 8.171 . . 295 54 54 PHE HA H 4.151 . . 296 54 54 PHE C C 174.177 . . 297 54 54 PHE CA C 57.663 . . 298 54 54 PHE CB C 39.594 . . 299 54 54 PHE N N 121.283 . . 300 55 55 ALA H H 7.993 . . 301 55 55 ALA HA H 4.097 . . 302 55 55 ALA C C 175.949 . . 303 55 55 ALA CA C 53.200 . . 304 55 55 ALA CB C 18.169 . . 305 55 55 ALA N N 123.051 . . 306 56 56 SER H H 7.904 . . 307 56 56 SER HA H 4.214 . . 308 56 56 SER C C 172.430 . . 309 56 56 SER CA C 58.802 . . 310 56 56 SER CB C 62.869 . . 311 56 56 SER N N 113.027 . . 312 57 57 TYR H H 7.854 . . 313 57 57 TYR C C 176.139 . . 314 57 57 TYR CA C 57.314 . . 315 57 57 TYR CB C 38.766 . . 316 57 57 TYR N N 119.691 . . 317 58 58 TYR H H 7.852 . . 318 58 58 TYR C C 176.384 . . 319 58 58 TYR CA C 58.207 . . 320 58 58 TYR CB C 37.676 . . 321 58 58 TYR N N 119.525 . . 322 59 59 LYS H H 7.823 . . 323 59 59 LYS HA H 4.095 . . 324 59 59 LYS C C 175.810 . . 325 59 59 LYS CA C 56.322 . . 326 59 59 LYS CB C 31.922 . . 327 59 59 LYS N N 121.467 . . 328 60 60 MET H H 8.135 . . 329 60 60 MET HA H 4.418 . . 330 60 60 MET C C 175.709 . . 331 60 60 MET CA C 55.727 . . 332 60 60 MET CB C 31.922 . . 333 60 60 MET N N 120.697 . . 334 61 61 THR H H 7.972 . . 335 61 61 THR HA H 4.245 . . 336 61 61 THR C C 176.641 . . 337 61 61 THR CA C 61.597 . . 338 61 61 THR CB C 69.358 . . 339 61 61 THR N N 113.662 . . 340 62 62 SER H H 8.118 . . 341 62 62 SER C C 174.666 . . 342 62 62 SER CA C 58.207 . . 343 62 62 SER CB C 63.960 . . 344 62 62 SER N N 117.188 . . 345 63 63 GLN H H 8.148 . . 346 63 63 GLN HA H 4.172 . . 347 63 63 GLN C C 175.594 . . 348 63 63 GLN CA C 55.628 . . 349 63 63 GLN CB C 29.541 . . 350 63 63 GLN N N 122.401 . . 351 64 64 TYR H H 8.085 . . 352 64 64 TYR HA H 4.478 . . 353 64 64 TYR C C 175.515 . . 354 64 64 TYR CA C 54.140 . . 355 64 64 TYR CB C 40.551 . . 356 64 64 TYR N N 121.333 . . 357 65 65 PRO CA C 58.504 . . 358 65 65 PRO CB C 38.270 . . 359 66 66 PHE H H 8.163 . . 360 66 66 PHE HA H 4.172 . . 361 66 66 PHE C C 175.565 . . 362 66 66 PHE CA C 55.727 . . 363 66 66 PHE CB C 38.468 . . 364 66 66 PHE N N 121.761 . . 365 67 67 GLU H H 8.051 . . 366 67 67 GLU HA H 4.679 . . 367 67 67 GLU C C 175.148 . . 368 67 67 GLU CA C 55.430 . . 369 67 67 GLU CB C 37.575 . . 370 67 67 GLU N N 121.410 . . 371 68 68 ALA H H 8.133 . . 372 68 68 ALA HA H 4.196 . . 373 68 68 ALA C C 175.600 . . 374 68 68 ALA CA C 52.057 . . 375 68 68 ALA CB C 18.630 . . 376 68 68 ALA N N 125.085 . . 377 69 69 GLU H H 8.320 . . 378 69 69 GLU HA H 4.234 . . 379 69 69 GLU C C 177.501 . . 380 69 69 GLU CA C 55.925 . . 381 69 69 GLU CB C 29.541 . . 382 69 69 GLU N N 120.299 . . 383 70 70 THR H H 8.209 . . 384 70 70 THR HA H 4.505 . . 385 70 70 THR C C 176.428 . . 386 70 70 THR CA C 59.236 . . 387 70 70 THR CB C 69.217 . . 388 70 70 THR N N 117.839 . . 389 71 71 PRO CA C 62.869 . . 390 71 71 PRO CB C 31.128 . . 391 72 72 GLU H H 7.964 . . 392 72 72 GLU HA H 4.004 . . 393 72 72 GLU C C 176.168 . . 394 72 72 GLU CA C 57.612 . . 395 72 72 GLU CB C 30.236 . . 396 72 72 GLU N N 126.301 . . stop_ save_