data_27601 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; RXDP2ext(1-73) ; _BMRB_accession_number 27601 _BMRB_flat_file_name bmr27601.str _Entry_type original _Submission_date 2018-09-09 _Accession_date 2018-09-09 _Entry_origination author _NMR_STAR_version 2.1.1 _Experimental_method NMR _Details RXDP2ext(1-73) 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" 125 "13C chemical shifts" 249 "15N chemical shifts" 125 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2019-02-15 update BMRB 'update entry citation' 2018-10-09 original author 'original release' stop_ loop_ _Related_BMRB_accession_number _Relationship 26721 RXFP1-LDLa-linker 27019 RXFP2-LDLa-linker stop_ _Original_release_date 2018-09-10 save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full . _Citation_title ; Multi-Component Mechanism of H2 Relaxin Binding to RXFP1 through NanoBRET Kinetic Analysis. ; _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 30594862 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Hoare Bradley L. . 2 Bruell Shoni . . 3 Sethi Ashish . . 4 Gooley Paul R. . 5 Lew Michael J. . 6 Hossain Mohammed A. . 7 Inoue Asuka . . 8 Scott Daniel J. . 9 Bathgate Ross . . stop_ _Journal_abbreviation iScience _Journal_name_full iScience _Journal_volume 11 _Journal_issue . _Journal_ISSN 2589-0042 _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 93 _Page_last 9113 _Year 2019 _Details . save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name RXFP2ext _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label RXFP2ext $RXFP2ext 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_RXFP2ext _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common RXFP2ext _Molecular_mass . _Mol_thiol_state 'all disulfide bound' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 128 _Mol_residue_sequence ; MITFSCQKGYFPCGNLTKCL PRAFHCDGKDDCGNGADEEN CGDTSGWATIFGKYFASYYT VHGNANSVALTQEQYKLALN GKTLKGETTTEAVDAATAEK VFKQYANDNGVDGEWTYDDA TKTFTVTE ; loop_ _Residue_seq_code _Residue_label 1 MET 2 ILE 3 THR 4 PHE 5 SER 6 CYS 7 GLN 8 LYS 9 GLY 10 TYR 11 PHE 12 PRO 13 CYS 14 GLY 15 ASN 16 LEU 17 THR 18 LYS 19 CYS 20 LEU 21 PRO 22 ARG 23 ALA 24 PHE 25 HIS 26 CYS 27 ASP 28 GLY 29 LYS 30 ASP 31 ASP 32 CYS 33 GLY 34 ASN 35 GLY 36 ALA 37 ASP 38 GLU 39 GLU 40 ASN 41 CYS 42 GLY 43 ASP 44 THR 45 SER 46 GLY 47 TRP 48 ALA 49 THR 50 ILE 51 PHE 52 GLY 53 LYS 54 TYR 55 PHE 56 ALA 57 SER 58 TYR 59 TYR 60 THR 61 VAL 62 HIS 63 GLY 64 ASN 65 ALA 66 ASN 67 SER 68 VAL 69 ALA 70 LEU 71 THR 72 GLN 73 GLU 74 GLN 75 TYR 76 LYS 77 LEU 78 ALA 79 LEU 80 ASN 81 GLY 82 LYS 83 THR 84 LEU 85 LYS 86 GLY 87 GLU 88 THR 89 THR 90 THR 91 GLU 92 ALA 93 VAL 94 ASP 95 ALA 96 ALA 97 THR 98 ALA 99 GLU 100 LYS 101 VAL 102 PHE 103 LYS 104 GLN 105 TYR 106 ALA 107 ASN 108 ASP 109 ASN 110 GLY 111 VAL 112 ASP 113 GLY 114 GLU 115 TRP 116 THR 117 TYR 118 ASP 119 ASP 120 ALA 121 THR 122 LYS 123 THR 124 PHE 125 THR 126 VAL 127 THR 128 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 $RXFP2ext 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 $RXFP2ext 'recombinant technology' . Escherichia coli . pET15b 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 $RXFP2ext 65 uM '[U-100% 13C; U-100% 15N]' imidazole 50 mM 'natural abundance' stop_ save_ ############################ # Computer software used # ############################ save_SPARKY _Saveframe_category software _Name SPARKY _Version . loop_ _Vendor _Address _Electronic_address Goddard . . stop_ loop_ _Task 'chemical shift assignment' 'data analysis' 'peak picking' 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_CBCA(CO)NH_2 _Saveframe_category NMR_applied_experiment _Experiment_name '3D CBCA(CO)NH' _Sample_label $sample_1 save_ save_3D_HNCACB_3 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCACB' _Sample_label $sample_1 save_ save_3D_C(CO)NH_4 _Saveframe_category NMR_applied_experiment _Experiment_name '3D C(CO)NH' _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' 50 . mM 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 water C 13 'methyl carbon' ppm 45.731 internal indirect . . . 0.25144953 water H 1 protons ppm 4.773 internal indirect . . . 1.0 water N 15 nitrogen ppm 119.587 internal indirect . . . 0.101329118 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_assigned_chem_shift_list_1 _Saveframe_category assigned_chemical_shifts _Details . loop_ _Software_label $SPARKY stop_ loop_ _Experiment_label '2D 1H-15N HSQC' '3D CBCA(CO)NH' '3D HNCACB' '3D C(CO)NH' 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 RXFP2ext _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 CA C 52.674 . . 2 1 1 MET CB C 30.348 . . 3 2 2 ILE H H 8.227 . . 4 2 2 ILE CA C 58.305 . . 5 2 2 ILE CB C 36.393 . . 6 2 2 ILE N N 122.842 . . 7 3 3 THR H H 8.167 . . 8 3 3 THR CA C 63.656 . . 9 3 3 THR CB C 67.018 . . 10 3 3 THR CG2 C 19.046 . . 11 3 3 THR N N 118.818 . . 12 4 4 PHE H H 8.248 . . 13 4 4 PHE N N 124.34 . . 14 5 5 SER H H 7.638 . . 15 5 5 SER N N 118.821 . . 16 6 6 CYS H H 8.344 . . 17 6 6 CYS CA C 58.336 . . 18 6 6 CYS CB C 38.726 . . 19 6 6 CYS N N 118.129 . . 20 7 7 GLN H H 8.734 . . 21 7 7 GLN CA C 52.88 . . 22 7 7 GLN CB C 27.439 . . 23 7 7 GLN N N 121.369 . . 24 8 8 LYS H H 8.258 . . 25 8 8 LYS CA C 55.624 . . 26 8 8 LYS CB C 29.784 . . 27 8 8 LYS N N 121.01 . . 28 9 9 GLY H H 8.706 . . 29 9 9 GLY CA C 42.49 . . 30 9 9 GLY N N 109.595 . . 31 10 10 TYR H H 8.405 . . 32 10 10 TYR CA C 53.455 . . 33 10 10 TYR CB C 38.38 . . 34 10 10 TYR N N 122.122 . . 35 11 11 PHE H H 9.387 . . 36 11 11 PHE CA C 56.594 . . 37 11 11 PHE CB C 37.889 . . 38 11 11 PHE N N 118.851 . . 39 13 13 CYS H H 8.197 . . 40 13 13 CYS CA C 57.417 . . 41 13 13 CYS CB C 39.059 . . 42 13 13 CYS N N 119.883 . . 43 14 14 GLY H H 8.057 . . 44 14 14 GLY CA C 44.761 . . 45 14 14 GLY N N 112.694 . . 46 15 15 ASN H H 8.631 . . 47 15 15 ASN CA C 50.927 . . 48 15 15 ASN CB C 35.191 . . 49 15 15 ASN N N 123.977 . . 50 16 16 LEU H H 7.585 . . 51 16 16 LEU CA C 51.29 . . 52 16 16 LEU CB C 40.358 . . 53 16 16 LEU N N 120.352 . . 54 17 17 THR H H 7.931 . . 55 17 17 THR CA C 64.261 . . 56 17 17 THR CB C 66.091 . . 57 17 17 THR N N 114.594 . . 58 18 18 LYS H H 7.604 . . 59 18 18 LYS CA C 53.121 . . 60 18 18 LYS CB C 33.19 . . 61 18 18 LYS N N 123.738 . . 62 19 19 CYS H H 8.628 . . 63 19 19 CYS CA C 58.26 . . 64 19 19 CYS CB C 43.297 . . 65 19 19 CYS N N 123.049 . . 66 20 20 LEU H H 8.793 . . 67 20 20 LEU CA C 54.17 . . 68 20 20 LEU CB C 42.215 . . 69 20 20 LEU N N 122.692 . . 70 22 22 ARG H H 7.919 . . 71 22 22 ARG CA C 56.986 . . 72 22 22 ARG CB C 27.225 . . 73 22 22 ARG N N 120.935 . . 74 23 23 ALA H H 8.422 . . 75 23 23 ALA CA C 51.831 . . 76 23 23 ALA CB C 15.666 . . 77 23 23 ALA N N 120.913 . . 78 24 24 PHE H H 7.871 . . 79 24 24 PHE CA C 53.46 . . 80 24 24 PHE CB C 35.029 . . 81 24 24 PHE N N 112.211 . . 82 25 25 HIS H H 8.428 . . 83 25 25 HIS CA C 53.951 . . 84 25 25 HIS CB C 28.13 . . 85 25 25 HIS N N 126.572 . . 86 26 26 CYS H H 9.028 . . 87 26 26 CYS CA C 51.542 . . 88 26 26 CYS CB C 40.1 . . 89 26 26 CYS N N 125.559 . . 90 27 27 ASP H H 9.496 . . 91 27 27 ASP CA C 49.551 . . 92 27 27 ASP CB C 38.797 . . 93 27 27 ASP N N 120.445 . . 94 28 28 GLY H H 9.264 . . 95 28 28 GLY CA C 42.896 . . 96 28 28 GLY N N 110.175 . . 97 29 29 LYS H H 7.229 . . 98 29 29 LYS CA C 56.246 . . 99 29 29 LYS CB C 32.113 . . 100 29 29 LYS N N 115.325 . . 101 30 30 ASP H H 8.982 . . 102 30 30 ASP CA C 52.57 . . 103 30 30 ASP CB C 37.059 . . 104 30 30 ASP N N 125.82 . . 105 31 31 ASP H H 10.638 . . 106 31 31 ASP CA C 52.729 . . 107 31 31 ASP CB C 42.043 . . 108 31 31 ASP N N 128.475 . . 109 32 32 CYS H H 8.826 . . 110 32 32 CYS CA C 55.652 . . 111 32 32 CYS CB C 38.642 . . 112 32 32 CYS N N 119.534 . . 113 33 33 GLY H H 9.578 . . 114 33 33 GLY CA C 42.117 . . 115 33 33 GLY N N 110.978 . . 116 34 34 ASN H H 7.218 . . 117 34 34 ASN CA C 48.459 . . 118 34 34 ASN CB C 36.558 . . 119 34 34 ASN N N 115.95 . . 120 35 35 GLY H H 9.128 . . 121 35 35 GLY CA C 43.013 . . 122 35 35 GLY N N 110.066 . . 123 36 36 ALA H H 7.847 . . 124 36 36 ALA CA C 53.008 . . 125 36 36 ALA CB C 16.265 . . 126 36 36 ALA N N 122.614 . . 127 37 37 ASP H H 10.245 . . 128 37 37 ASP CA C 51.666 . . 129 37 37 ASP CB C 36.904 . . 130 37 37 ASP N N 109.877 . . 131 38 38 GLU H H 7.538 . . 132 38 38 GLU CA C 56.319 . . 133 38 38 GLU CB C 27.665 . . 134 38 38 GLU CG C 29.057 . . 135 38 38 GLU N N 116.863 . . 136 39 39 GLU H H 6.932 . . 137 39 39 GLU CA C 53.316 . . 138 39 39 GLU CB C 28.964 . . 139 39 39 GLU N N 120.181 . . 140 40 40 ASN H H 8.919 . . 141 40 40 ASN CA C 53.086 . . 142 40 40 ASN CB C 34.698 . . 143 40 40 ASN N N 117.837 . . 144 41 41 CYS H H 8.247 . . 145 41 41 CYS CA C 52.965 . . 146 41 41 CYS CB C 38.929 . . 147 41 41 CYS N N 116.682 . . 148 42 42 GLY H H 8.545 . . 149 42 42 GLY CA C 42.91 . . 150 42 42 GLY N N 109.481 . . 151 43 43 ASP H H 7.97 . . 152 43 43 ASP CA C 52.165 . . 153 43 43 ASP CB C 38.184 . . 154 43 43 ASP N N 120.345 . . 155 44 44 THR H H 8.159 . . 156 44 44 THR CA C 61.781 . . 157 44 44 THR CB C 66.542 . . 158 44 44 THR N N 114.811 . . 159 45 45 SER H H 8.302 . . 160 45 45 SER CA C 61.294 . . 161 45 45 SER CB C 65.634 . . 162 45 45 SER N N 118.53 . . 163 46 46 GLY H H 8.307 . . 164 46 46 GLY CA C 43.492 . . 165 46 46 GLY N N 110.861 . . 166 47 47 TRP H H 7.951 . . 167 47 47 TRP CA C 59.403 . . 168 47 47 TRP CB C 29.964 . . 169 47 47 TRP N N 121.128 . . 170 48 48 ALA H H 8.55 . . 171 48 48 ALA CA C 51.134 . . 172 48 48 ALA CB C 15.873 . . 173 48 48 ALA N N 125.738 . . 174 49 49 THR H H 7.781 . . 175 49 49 THR CA C 66.993 . . 176 49 49 THR CB C 68.447 . . 177 49 49 THR N N 112.415 . . 178 50 50 ILE H H 7.763 . . 179 50 50 ILE CA C 60.442 . . 180 50 50 ILE CB C 35.511 . . 181 50 50 ILE N N 121.577 . . 182 51 51 PHE H H 8.423 . . 183 51 51 PHE CA C 49.802 . . 184 51 51 PHE CB C 40.748 . . 185 51 51 PHE N N 127.271 . . 186 52 52 GLY H H 7.993 . . 187 52 52 GLY CA C 42.574 . . 188 52 52 GLY N N 107.712 . . 189 53 53 LYS H H 7.902 . . 190 53 53 LYS CA C 56.814 . . 191 53 53 LYS CB C 32.633 . . 192 53 53 LYS N N 118.901 . . 193 54 54 TYR H H 9.024 . . 194 54 54 TYR CA C 57.171 . . 195 54 54 TYR CB C 40.493 . . 196 54 54 TYR N N 123.688 . . 197 55 55 PHE H H 8.723 . . 198 55 55 PHE CA C 55.175 . . 199 55 55 PHE CB C 40.054 . . 200 55 55 PHE N N 125.088 . . 201 56 56 ALA H H 7.073 . . 202 56 56 ALA CA C 52.252 . . 203 56 56 ALA CB C 18.488 . . 204 56 56 ALA N N 123.842 . . 205 57 57 SER H H 8.107 . . 206 57 57 SER CA C 60.898 . . 207 57 57 SER CB C 65.597 . . 208 57 57 SER N N 120.366 . . 209 58 58 TYR H H 7.859 . . 210 58 58 TYR CA C 55.717 . . 211 58 58 TYR CB C 36.038 . . 212 58 58 TYR N N 121.282 . . 213 59 59 TYR H H 7.865 . . 214 59 59 TYR CA C 57.081 . . 215 59 59 TYR CB C 36.274 . . 216 59 59 TYR N N 119.748 . . 217 60 60 THR H H 7.989 . . 218 60 60 THR CA C 63.627 . . 219 60 60 THR CB C 66.981 . . 220 60 60 THR N N 113.593 . . 221 61 61 VAL H H 7.318 . . 222 61 61 VAL CA C 62.649 . . 223 61 61 VAL CB C 32.822 . . 224 61 61 VAL N N 124.532 . . 225 62 62 HIS H H 8.457 . . 226 62 62 HIS CA C 52.473 . . 227 62 62 HIS CB C 26.711 . . 228 62 62 HIS N N 122.116 . . 229 63 63 GLY H H 8.311 . . 230 63 63 GLY CA C 42.665 . . 231 63 63 GLY N N 109.777 . . 232 64 64 ASN H H 8.283 . . 233 64 64 ASN CA C 50.169 . . 234 64 64 ASN CB C 36.394 . . 235 64 64 ASN N N 118.598 . . 236 65 65 ALA H H 8.293 . . 237 65 65 ALA CA C 50.43 . . 238 65 65 ALA CB C 16.345 . . 239 65 65 ALA N N 124.314 . . 240 66 66 ASN H H 8.298 . . 241 66 66 ASN CA C 50.825 . . 242 66 66 ASN CB C 36.371 . . 243 66 66 ASN N N 116.925 . . 244 67 67 SER H H 8.056 . . 245 67 67 SER CA C 55.847 . . 246 67 67 SER CB C 61.089 . . 247 67 67 SER N N 115.672 . . 248 68 68 VAL H H 7.957 . . 249 68 68 VAL CA C 59.45 . . 250 68 68 VAL CB C 29.984 . . 251 68 68 VAL N N 121.159 . . 252 69 69 ALA H H 8.182 . . 253 69 69 ALA CA C 49.612 . . 254 69 69 ALA CB C 16.489 . . 255 69 69 ALA N N 127.127 . . 256 70 70 LEU H H 8.087 . . 257 70 70 LEU CA C 52.447 . . 258 70 70 LEU CB C 39.874 . . 259 70 70 LEU N N 121.534 . . 260 71 71 THR H H 8.068 . . 261 71 71 THR CA C 59.164 . . 262 71 71 THR CB C 67.192 . . 263 71 71 THR CG2 C 19.04 . . 264 71 71 THR N N 115.443 . . 265 72 72 GLN H H 8.288 . . 266 72 72 GLN CA C 52.599 . . 267 72 72 GLN CB C 27.903 . . 268 72 72 GLN N N 121.651 . . 269 73 73 GLU H H 8.288 . . 270 73 73 GLU CA C 56.447 . . 271 73 73 GLU CB C 29.74 . . 272 73 73 GLU N N 121.097 . . 273 74 74 GLN H H 8.265 . . 274 74 74 GLN CA C 53.016 . . 275 74 74 GLN CB C 28.113 . . 276 74 74 GLN N N 119.514 . . 277 75 75 TYR H H 9.123 . . 278 75 75 TYR CA C 54.455 . . 279 75 75 TYR CB C 40.379 . . 280 75 75 TYR N N 124.561 . . 281 76 76 LYS H H 9.109 . . 282 76 76 LYS CA C 52.819 . . 283 76 76 LYS CB C 33.367 . . 284 76 76 LYS N N 121.812 . . 285 77 77 LEU H H 8.465 . . 286 77 77 LEU CA C 49.928 . . 287 77 77 LEU CB C 39.701 . . 288 77 77 LEU CG C 23.117 . . 289 77 77 LEU N N 125.513 . . 290 78 78 ALA H H 9.212 . . 291 78 78 ALA CA C 48.324 . . 292 78 78 ALA CB C 16.73 . . 293 78 78 ALA N N 130.019 . . 294 79 79 LEU H H 8.485 . . 295 79 79 LEU CA C 51.843 . . 296 79 79 LEU CB C 39.541 . . 297 79 79 LEU N N 122.626 . . 298 80 80 ASN H H 8.786 . . 299 80 80 ASN CA C 48.573 . . 300 80 80 ASN CB C 35.377 . . 301 80 80 ASN N N 126.755 . . 302 81 81 GLY H H 7.88 . . 303 81 81 GLY CA C 42.069 . . 304 81 81 GLY N N 109.812 . . 305 82 82 LYS H H 9.331 . . 306 82 82 LYS CA C 56.406 . . 307 82 82 LYS CB C 29.92 . . 308 82 82 LYS N N 120.886 . . 309 83 83 THR H H 8.714 . . 310 83 83 THR CA C 59.41 . . 311 83 83 THR CB C 67.156 . . 312 83 83 THR CG2 C 18.922 . . 313 83 83 THR N N 108.702 . . 314 84 84 LEU H H 7.302 . . 315 84 84 LEU CA C 52.684 . . 316 84 84 LEU CB C 40.811 . . 317 84 84 LEU N N 125.128 . . 318 85 85 LYS H H 8.051 . . 319 85 85 LYS CA C 51.293 . . 320 85 85 LYS CB C 32.45 . . 321 85 85 LYS N N 123.585 . . 322 86 86 GLY H H 8.364 . . 323 86 86 GLY CA C 42.463 . . 324 86 86 GLY N N 109.458 . . 325 87 87 GLU H H 8.374 . . 326 87 87 GLU CA C 52.216 . . 327 87 87 GLU CB C 31.201 . . 328 87 87 GLU CG C 33.537 . . 329 87 87 GLU N N 119.446 . . 330 88 88 THR H H 8.506 . . 331 88 88 THR CA C 57.827 . . 332 88 88 THR CB C 67.022 . . 333 88 88 THR CG2 C 16.77 . . 334 88 88 THR N N 115.764 . . 335 89 89 THR H H 8.038 . . 336 89 89 THR CA C 57.409 . . 337 89 89 THR CB C 70.436 . . 338 89 89 THR CG2 C 19.017 . . 339 89 89 THR N N 112.321 . . 340 90 90 THR H H 8.912 . . 341 90 90 THR CA C 59.565 . . 342 90 90 THR CB C 67.386 . . 343 90 90 THR CG2 C 16.465 . . 344 90 90 THR N N 114.964 . . 345 91 91 GLU H H 7.891 . . 346 91 91 GLU CA C 52.603 . . 347 91 91 GLU CB C 28.584 . . 348 91 91 GLU N N 123.926 . . 349 92 92 ALA H H 9.174 . . 350 92 92 ALA CA C 48.532 . . 351 92 92 ALA CB C 21.084 . . 352 92 92 ALA N N 123.843 . . 353 93 93 VAL H H 8.409 . . 354 93 93 VAL CA C 60.603 . . 355 93 93 VAL CB C 29.404 . . 356 93 93 VAL N N 114.746 . . 357 94 94 ASP H H 7.23 . . 358 94 94 ASP CA C 49.946 . . 359 94 94 ASP CB C 39.296 . . 360 94 94 ASP N N 114.641 . . 361 95 95 ALA H H 8.31 . . 362 95 95 ALA CA C 51.957 . . 363 95 95 ALA CB C 14.988 . . 364 95 95 ALA N N 121.486 . . 365 96 96 ALA H H 7.929 . . 366 96 96 ALA CA C 52.211 . . 367 96 96 ALA CB C 14.922 . . 368 96 96 ALA N N 120.216 . . 369 97 97 THR H H 8.251 . . 370 97 97 THR CA C 60.955 . . 371 97 97 THR CB C 65.303 . . 372 97 97 THR N N 116.638 . . 373 98 98 ALA H H 7.007 . . 374 98 98 ALA CA C 52.312 . . 375 98 98 ALA CB C 14.805 . . 376 98 98 ALA N N 123.668 . . 377 99 99 GLU H H 8.261 . . 378 99 99 GLU CA C 57.073 . . 379 99 99 GLU CB C 26.422 . . 380 99 99 GLU CG C 33.162 . . 381 99 99 GLU N N 116.694 . . 382 100 100 LYS H H 6.908 . . 383 100 100 LYS CA C 57.18 . . 384 100 100 LYS CB C 29.427 . . 385 100 100 LYS N N 116.562 . . 386 101 101 VAL H H 7.234 . . 387 101 101 VAL CA C 63.583 . . 388 101 101 VAL CB C 28.974 . . 389 101 101 VAL N N 120.441 . . 390 102 102 PHE H H 8.362 . . 391 102 102 PHE CA C 54.397 . . 392 102 102 PHE CB C 34.876 . . 393 102 102 PHE N N 120.548 . . 394 103 103 LYS H H 9.1 . . 395 103 103 LYS CA C 57.116 . . 396 103 103 LYS CB C 28.995 . . 397 103 103 LYS N N 122.943 . . 398 104 104 GLN H H 7.386 . . 399 104 104 GLN CA C 56.115 . . 400 104 104 GLN CB C 25.505 . . 401 104 104 GLN CG C 30.86 . . 402 104 104 GLN N N 119.776 . . 403 105 105 TYR H H 8.136 . . 404 105 105 TYR CA C 59.214 . . 405 105 105 TYR CB C 35.91 . . 406 105 105 TYR N N 120.852 . . 407 106 106 ALA H H 9.126 . . 408 106 106 ALA CA C 53.473 . . 409 106 106 ALA CB C 15.095 . . 410 106 106 ALA N N 122.746 . . 411 107 107 ASN H H 8.194 . . 412 107 107 ASN CA C 54.32 . . 413 107 107 ASN CB C 36.171 . . 414 107 107 ASN N N 117.611 . . 415 108 108 ASP H H 8.816 . . 416 108 108 ASP CA C 54.389 . . 417 108 108 ASP CB C 37.32 . . 418 108 108 ASP N N 121.291 . . 419 109 109 ASN H H 7.327 . . 420 109 109 ASN CA C 51.213 . . 421 109 109 ASN CB C 37.355 . . 422 109 109 ASN N N 115.281 . . 423 110 110 GLY H H 7.714 . . 424 110 110 GLY CA C 44.262 . . 425 110 110 GLY N N 108.277 . . 426 111 111 VAL H H 8.036 . . 427 111 111 VAL CA C 59.225 . . 428 111 111 VAL CB C 30.572 . . 429 111 111 VAL N N 120.975 . . 430 112 112 ASP H H 8.535 . . 431 112 112 ASP CA C 50.034 . . 432 112 112 ASP CB C 40.171 . . 433 112 112 ASP N N 127.963 . . 434 113 113 GLY H H 7.75 . . 435 113 113 GLY CA C 42.739 . . 436 113 113 GLY N N 107.202 . . 437 114 114 GLU H H 8.101 . . 438 114 114 GLU CA C 52.738 . . 439 114 114 GLU CB C 28.963 . . 440 114 114 GLU N N 120.569 . . 441 115 115 TRP H H 9.24 . . 442 115 115 TRP CA C 55.198 . . 443 115 115 TRP CB C 27.683 . . 444 115 115 TRP N N 128.222 . . 445 116 116 THR H H 9.189 . . 446 116 116 THR CA C 57.763 . . 447 116 116 THR CB C 69.704 . . 448 116 116 THR N N 114.574 . . 449 117 117 TYR H H 8.525 . . 450 117 117 TYR CA C 54.393 . . 451 117 117 TYR CB C 38.916 . . 452 117 117 TYR N N 120.917 . . 453 118 118 ASP H H 7.481 . . 454 118 118 ASP CA C 54.397 . . 455 118 118 ASP CB C 40.33 . . 456 118 118 ASP N N 128.337 . . 457 119 119 ASP H H 8.417 . . 458 119 119 ASP CA C 53.703 . . 459 119 119 ASP CB C 39.126 . . 460 119 119 ASP N N 124.745 . . 461 120 120 ALA H H 8.195 . . 462 120 120 ALA CA C 52.474 . . 463 120 120 ALA CB C 15.68 . . 464 120 120 ALA N N 119.896 . . 465 121 121 THR H H 6.915 . . 466 121 121 THR CA C 57.888 . . 467 121 121 THR CB C 67.445 . . 468 121 121 THR CG2 C 18.594 . . 469 121 121 THR N N 129.253 . . 470 122 122 LYS H H 7.751 . . 471 122 122 LYS CA C 54.463 . . 472 122 122 LYS CB C 27.261 . . 473 122 122 LYS N N 123.279 . . 474 123 123 THR H H 7.231 . . 475 123 123 THR CA C 59.432 . . 476 123 123 THR CB C 69.229 . . 477 123 123 THR CG2 C 17.474 . . 478 123 123 THR N N 110.649 . . 479 124 124 PHE H H 10.208 . . 480 124 124 PHE CA C 54.504 . . 481 124 124 PHE CB C 39.517 . . 482 124 124 PHE N N 131.049 . . 483 125 125 THR H H 9.094 . . 484 125 125 THR CA C 58.919 . . 485 125 125 THR CB C 68.114 . . 486 125 125 THR N N 118.278 . . 487 126 126 VAL H H 7.977 . . 488 126 126 VAL CA C 55.659 . . 489 126 126 VAL CB C 29.883 . . 490 126 126 VAL N N 123.636 . . 491 127 127 THR H H 8.313 . . 492 127 127 THR CA C 59.112 . . 493 127 127 THR CB C 68.083 . . 494 127 127 THR CG2 C 22.971 . . 495 127 127 THR N N 123.693 . . 496 128 128 GLU H H 7.742 . . 497 128 128 GLU CA C 55.645 . . 498 128 128 GLU CB C 29.927 . . 499 128 128 GLU N N 107.638 . . stop_ save_