data_19844 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; 1H, 13C, and 15N backbone assignment of human ribonuclease 4 ; _BMRB_accession_number 19844 _BMRB_flat_file_name bmr19844.str _Entry_type original _Submission_date 2014-03-07 _Accession_date 2014-03-07 _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 Gagne Donald . . 2 Doucet Nicolas . . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ cp bmr${acc_num}_21.str bmr${acc_num}_21.str.311 cp bmr${acc_num}_21.str bmr${acc_num}_21.str.312 n -geometry 180x54 bmr${acc_num}_21.str loop_ _Data_type _Data_type_count "1H chemical shifts" 110 "13C chemical shifts" 210 "15N chemical shifts" 110 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2018-05-29 update author 'update sequence, etc.' 2014-04-07 original author 'original release' stop_ _Original_release_date 2014-03-07 save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full . _Citation_title ; 1H, 13C, and 15N backbone assignment of human ribonuclease 4 ; _Citation_status 'in preparation' _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID ? loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Gagne Donald . . 2 Doucet Nicolas . . stop_ _Journal_abbreviation 'J. Biomol. NMR' _Journal_volume . _Journal_issue . _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first . _Page_last . _Year . _Details . save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name 'RNase 4' _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label 'RNase 4' $RNase_4 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_RNase_4 _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common RNase_4 _Molecular_mass . _Mol_thiol_state 'all disulfide bound' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 119 _Mol_residue_sequence ; QDGMYQRFLRQHVHPEETGG SDRYCNLMMQRRKMTLYHCK RFNTFIHEDIWNIRSICSTT NIQCKNGKMNCHEGVVKVTD CRDTGSSRAPNCRYRAIAST RRVVIACEGNPQVPVHFDG ; loop_ _Residue_seq_code _Residue_label 1 GLN 2 ASP 3 GLY 4 MET 5 TYR 6 GLN 7 ARG 8 PHE 9 LEU 10 ARG 11 GLN 12 HIS 13 VAL 14 HIS 15 PRO 16 GLU 17 GLU 18 THR 19 GLY 20 GLY 21 SER 22 ASP 23 ARG 24 TYR 25 CYS 26 ASN 27 LEU 28 MET 29 MET 30 GLN 31 ARG 32 ARG 33 LYS 34 MET 35 THR 36 LEU 37 TYR 38 HIS 39 CYS 40 LYS 41 ARG 42 PHE 43 ASN 44 THR 45 PHE 46 ILE 47 HIS 48 GLU 49 ASP 50 ILE 51 TRP 52 ASN 53 ILE 54 ARG 55 SER 56 ILE 57 CYS 58 SER 59 THR 60 THR 61 ASN 62 ILE 63 GLN 64 CYS 65 LYS 66 ASN 67 GLY 68 LYS 69 MET 70 ASN 71 CYS 72 HIS 73 GLU 74 GLY 75 VAL 76 VAL 77 LYS 78 VAL 79 THR 80 ASP 81 CYS 82 ARG 83 ASP 84 THR 85 GLY 86 SER 87 SER 88 ARG 89 ALA 90 PRO 91 ASN 92 CYS 93 ARG 94 TYR 95 ARG 96 ALA 97 ILE 98 ALA 99 SER 100 THR 101 ARG 102 ARG 103 VAL 104 VAL 105 ILE 106 ALA 107 CYS 108 GLU 109 GLY 110 ASN 111 PRO 112 GLN 113 VAL 114 PRO 115 VAL 116 HIS 117 PHE 118 ASP 119 GLY 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 $RNase_4 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 $RNase_4 'recombinant technology' . Escherichia coli . pJexpress414 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Saveframe_category sample _Sample_type solution _Details '15 mM Sodium Acetate' loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $RNase_4 0.56 mM '[U-13C; U-15N]' D2O 100 % 'natural abundance' stop_ save_ ############################ # Computer software used # ############################ save_NMRView _Saveframe_category software _Name NMRView _Version . loop_ _Vendor _Address _Electronic_address 'Johnson, One Moon Scientific' . . stop_ loop_ _Task 'chemical shift assignment' stop_ _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Agilent _Model OMEGA _Field_strength 800 _Details . save_ ############################# # NMR applied experiments # ############################# save_3D_HNCO_1 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCO' _Sample_label $sample_1 save_ save_2D_1H-15N_HSQC_2 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-15N HSQC' _Sample_label $sample_1 save_ save_3D_1H-15N_NOESY_3 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-15N NOESY' _Sample_label $sample_1 save_ save_3D_CBCA(CO)NH_4 _Saveframe_category NMR_applied_experiment _Experiment_name '3D CBCA(CO)NH' _Sample_label $sample_1 save_ save_3D_HNCACB_5 _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 pH 5 . pH 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 glucose C 13 'methyl carbon' ppm . internal direct . . . na H 1 protons ppm . internal direct . . . '[15N] ammonium chloride' N 15 nitrogen ppm . internal direct . . . 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 '3D HNCO' '2D 1H-15N HSQC' '3D 1H-15N NOESY' '3D CBCA(CO)NH' '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 'RNase 4' _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 GLN CA C 56.0634 . . 2 1 1 GLN CB C 29.451 . . 3 2 2 ASP H H 8.6591 . . 4 2 2 ASP CA C 54.4286 . . 5 2 2 ASP CB C 41.493 . . 6 2 2 ASP N N 122.6351 . . 7 3 3 GLY H H 8.4725 . . 8 3 3 GLY CA C 46.1778 . . 9 3 3 GLY N N 109.1327 . . 10 4 4 MET H H 8.6624 . . 11 4 4 MET CA C 58.9222 . . 12 4 4 MET CB C 32.5626 . . 13 4 4 MET N N 119.9709 . . 14 5 5 TYR H H 8.8129 . . 15 5 5 TYR CA C 59.3332 . . 16 5 5 TYR CB C 38.2798 . . 17 5 5 TYR N N 123.3337 . . 18 6 6 GLN H H 8.3817 . . 19 6 6 GLN CA C 59.6345 . . 20 6 6 GLN CB C 27.3737 . . 21 6 6 GLN N N 117.5885 . . 22 7 7 ARG H H 8.2255 . . 23 7 7 ARG CA C 56.8487 . . 24 7 7 ARG CB C 30.3022 . . 25 7 7 ARG N N 120.1207 . . 26 9 9 LEU H H 8.86 . . 27 9 9 LEU CA C 54.2993 . . 28 9 9 LEU CB C 41.894 . . 29 9 9 LEU N N 118.0136 . . 30 10 10 ARG H H 7.8822 . . 31 10 10 ARG CA C 58.7926 . . 32 10 10 ARG CB C 30.5505 . . 33 10 10 ARG N N 118.2334 . . 34 11 11 GLN H H 8.4116 . . 35 11 11 GLN CB C 28.6819 . . 36 11 11 GLN N N 112.2073 . . 37 12 12 HIS H H 8.4316 . . 38 12 12 HIS CA C 57.4816 . . 39 12 12 HIS CB C 29.5619 . . 40 12 12 HIS N N 118.9187 . . 41 13 13 VAL H H 8.117 . . 42 13 13 VAL CA C 63.5941 . . 43 13 13 VAL CB C 33.0884 . . 44 13 13 VAL N N 120.6092 . . 45 14 14 HIS H H 8.032 . . 46 14 14 HIS CB C 32.9597 . . 47 14 14 HIS N N 112.976 . . 48 16 16 GLU H H 8.4625 . . 49 16 16 GLU CA C 56.2068 . . 50 16 16 GLU CB C 28.9139 . . 51 16 16 GLU N N 113.6492 . . 52 17 17 GLU H H 6.5609 . . 53 17 17 GLU CA C 54.1652 . . 54 17 17 GLU CB C 32.9296 . . 55 17 17 GLU N N 116.6492 . . 56 18 18 THR H H 7.7717 . . 57 18 18 THR CA C 61.7663 . . 58 18 18 THR CB C 68.8677 . . 59 18 18 THR N N 110.3059 . . 60 19 19 GLY H H 7.5438 . . 61 19 19 GLY CA C 44.4988 . . 62 19 19 GLY N N 107.6458 . . 63 20 20 GLY H H 8.463 . . 64 20 20 GLY CA C 46.541 . . 65 20 20 GLY N N 108.562 . . 66 21 21 SER H H 7.0954 . . 67 21 21 SER CA C 55.9517 . . 68 21 21 SER CB C 66.674 . . 69 21 21 SER N N 111.232 . . 70 22 22 ASP H H 8.9986 . . 71 22 22 ASP CA C 58.4233 . . 72 22 22 ASP CB C 39.4161 . . 73 22 22 ASP N N 125.1978 . . 74 23 23 ARG H H 8.3153 . . 75 23 23 ARG CA C 59.3837 . . 76 23 23 ARG CB C 29.9365 . . 77 23 23 ARG N N 117.9008 . . 78 24 24 TYR H H 7.7885 . . 79 24 24 TYR CA C 61.8691 . . 80 24 24 TYR CB C 37.335 . . 81 24 24 TYR N N 119.936 . . 82 25 25 CYS H H 7.7052 . . 83 25 25 CYS CA C 60.3918 . . 84 25 25 CYS CB C 40.4562 . . 85 25 25 CYS N N 116.1596 . . 86 26 26 ASN H H 8.6275 . . 87 26 26 ASN CA C 56.4258 . . 88 26 26 ASN CB C 37.1514 . . 89 26 26 ASN N N 119.3779 . . 90 27 27 LEU H H 8.0969 . . 91 27 27 LEU CA C 57.3337 . . 92 27 27 LEU CB C 42.617 . . 93 27 27 LEU N N 119.7097 . . 94 28 28 MET H H 8.415 . . 95 28 28 MET CA C 62.659 . . 96 28 28 MET CB C 34.472 . . 97 28 28 MET N N 117.464 . . 98 29 29 MET H H 8.2125 . . 99 29 29 MET CA C 53.4294 . . 100 29 29 MET CB C 33.8509 . . 101 29 29 MET N N 115.641 . . 102 30 30 GLN H H 6.67 . . 103 30 30 GLN CA C 57.95 . . 104 30 30 GLN CB C 29.09 . . 105 30 30 GLN N N 116.24 . . 106 31 31 ARG H H 8.994 . . 107 31 31 ARG CA C 56.46 . . 108 31 31 ARG CB C 30.78 . . 109 31 31 ARG N N 122.538 . . 110 32 32 ARG H H 8.085 . . 111 32 32 ARG CA C 53.49 . . 112 32 32 ARG CB C 27.95 . . 113 32 32 ARG N N 113.521 . . 114 33 33 LYS H H 7.6431 . . 115 33 33 LYS CA C 56.7976 . . 116 33 33 LYS CB C 28.3768 . . 117 33 33 LYS N N 110.8082 . . 118 34 34 MET H H 8.2142 . . 119 34 34 MET CB C 34.0299 . . 120 34 34 MET N N 115.6445 . . 121 35 35 THR H H 7.498 . . 122 35 35 THR CA C 60.303 . . 123 35 35 THR CB C 7.498 . . 124 35 35 THR N N 106.548 . . 125 36 36 LEU H H 6.929 . . 126 36 36 LEU CA C 55.669 . . 127 36 36 LEU CB C 39.039 . . 128 36 36 LEU N N 119.644 . . 129 37 37 TYR H H 8.787 . . 130 37 37 TYR CA C 58.456 . . 131 37 37 TYR CB C 38.625 . . 132 37 37 TYR N N 122.031 . . 133 38 38 HIS H H 8.141 . . 134 38 38 HIS CA C 59.62 . . 135 38 38 HIS CB C 31.36 . . 136 38 38 HIS N N 116.205 . . 137 39 39 CYS H H 8.84 . . 138 39 39 CYS CA C 53.98 . . 139 39 39 CYS CB C 37.55 . . 140 39 39 CYS N N 121.092 . . 141 40 40 LYS H H 7.507 . . 142 40 40 LYS CA C 58.0557 . . 143 40 40 LYS CB C 33.1642 . . 144 40 40 LYS N N 128.2529 . . 145 41 41 ARG H H 9.0631 . . 146 41 41 ARG CA C 60.2226 . . 147 41 41 ARG CB C 30.4367 . . 148 41 41 ARG N N 128.3459 . . 149 42 42 PHE H H 7.7613 . . 150 42 42 PHE CA C 55.8954 . . 151 42 42 PHE CB C 42.6454 . . 152 42 42 PHE N N 116.6054 . . 153 43 43 ASN H H 8.4682 . . 154 43 43 ASN CA C 54.0991 . . 155 43 43 ASN CB C 44.7299 . . 156 43 43 ASN N N 122.0317 . . 157 44 44 THR H H 7.2538 . . 158 44 44 THR CA C 62.1192 . . 159 44 44 THR CB C 70.4233 . . 160 44 44 THR N N 122.0343 . . 161 45 45 PHE H H 8.8761 . . 162 45 45 PHE CA C 54.1448 . . 163 45 45 PHE CB C 43.1816 . . 164 45 45 PHE N N 126.4992 . . 165 46 46 ILE H H 9.2504 . . 166 46 46 ILE CA C 61.0817 . . 167 46 46 ILE CB C 39.6062 . . 168 46 46 ILE N N 121.1689 . . 169 47 47 HIS H H 9.1612 . . 170 47 47 HIS CA C 52.0879 . . 171 47 47 HIS CB C 26.8876 . . 172 47 47 HIS N N 131.2579 . . 173 48 48 GLU H H 6.8416 . . 174 48 48 GLU CA C 53.1202 . . 175 48 48 GLU CB C 33.4266 . . 176 48 48 GLU N N 115.903 . . 177 49 49 ASP H H 8.8568 . . 178 49 49 ASP CA C 54.2993 . . 179 49 49 ASP CB C 41.894 . . 180 49 49 ASP N N 118.0136 . . 181 50 50 ILE H H 8.7921 . . 182 50 50 ILE CA C 64.0273 . . 183 50 50 ILE CB C 38.0758 . . 184 50 50 ILE N N 121.9689 . . 185 52 52 ASN H H 7.496 . . 186 52 52 ASN CA C 55.5609 . . 187 52 52 ASN CB C 38.0686 . . 188 52 52 ASN N N 119.3785 . . 189 53 53 ILE H H 7.8686 . . 190 53 53 ILE CA C 64.7376 . . 191 53 53 ILE CB C 37.932 . . 192 53 53 ILE N N 120.2992 . . 193 54 54 ARG H H 8.6911 . . 194 54 54 ARG CA C 60.0614 . . 195 54 54 ARG CB C 30.1684 . . 196 54 54 ARG N N 117.5057 . . 197 55 55 SER H H 7.751 . . 198 55 55 SER CA C 61.2974 . . 199 55 55 SER CB C 62.5104 . . 200 55 55 SER N N 114.9689 . . 201 56 56 ILE H H 8.277 . . 202 56 56 ILE CA C 61.812 . . 203 56 56 ILE CB C 40.998 . . 204 56 56 ILE N N 122.526 . . 205 57 57 CYS H H 7.3205 . . 206 57 57 CYS CA C 54.8032 . . 207 57 57 CYS CB C 38.697 . . 208 57 57 CYS N N 114.7308 . . 209 58 58 SER H H 7.3918 . . 210 58 58 SER CA C 58.5534 . . 211 58 58 SER CB C 63.5226 . . 212 58 58 SER N N 112.3386 . . 213 59 59 THR H H 7.1871 . . 214 59 59 THR CA C 61.4112 . . 215 59 59 THR CB C 72.548 . . 216 59 59 THR N N 111.2455 . . 217 60 60 THR H H 8.3909 . . 218 60 60 THR CA C 64.4173 . . 219 60 60 THR CB C 70.0379 . . 220 60 60 THR N N 116.6506 . . 221 61 61 ASN H H 8.215 . . 222 61 61 ASN CA C 63.95 . . 223 61 61 ASN CB C 38.26 . . 224 61 61 ASN N N 120.582 . . 225 62 62 ILE H H 8.545 . . 226 62 62 ILE CA C 58.89 . . 227 62 62 ILE CB C 41.89 . . 228 62 62 ILE N N 118.417 . . 229 63 63 GLN H H 8.0173 . . 230 63 63 GLN CA C 62.3699 . . 231 63 63 GLN CB C 69.3989 . . 232 63 63 GLN N N 120.1423 . . 233 64 64 CYS H H 9.1324 . . 234 64 64 CYS CA C 52.2829 . . 235 64 64 CYS CB C 40.9898 . . 236 64 64 CYS N N 124.4657 . . 237 65 65 LYS H H 10.795 . . 238 65 65 LYS CA C 60.22 . . 239 65 65 LYS CB C 40.99 . . 240 65 65 LYS N N 127.192 . . 241 66 66 ASN H H 7.9875 . . 242 66 66 ASN CA C 52.5934 . . 243 66 66 ASN CB C 37.1262 . . 244 66 66 ASN N N 113.8015 . . 245 67 67 GLY H H 8.0397 . . 246 67 67 GLY CA C 44.9337 . . 247 67 67 GLY N N 107.9652 . . 248 68 68 LYS H H 8.23 . . 249 68 68 LYS CA C 59.73 . . 250 68 68 LYS CB C 27.41 . . 251 68 68 LYS N N 120.17 . . 252 69 69 MET H H 10.7994 . . 253 69 69 MET CA C 60.1077 . . 254 69 69 MET CB C 31.9153 . . 255 69 69 MET N N 127.0694 . . 256 70 70 ASN H H 7.951 . . 257 70 70 ASN CA C 52.27 . . 258 70 70 ASN CB C 41.85 . . 259 70 70 ASN N N 116.092 . . 260 71 71 CYS H H 7.553 . . 261 71 71 CYS CA C 60.864 . . 262 71 71 CYS CB C 44.335 . . 263 71 71 CYS N N 116.288 . . 264 72 72 HIS H H 8.508 . . 265 72 72 HIS CA C 55.022 . . 266 72 72 HIS CB C 34.030 . . 267 72 72 HIS N N 116.255 . . 268 73 73 GLU H H 9.0273 . . 269 73 73 GLU CA C 52.8801 . . 270 73 73 GLU CB C 32.9597 . . 271 73 73 GLU N N 121.0088 . . 272 74 74 GLY H H 8.3313 . . 273 74 74 GLY CA C 62.3699 . . 274 74 74 GLY N N 105.7453 . . 275 75 75 VAL H H 8.4512 . . 276 75 75 VAL CA C 62.4726 . . 277 75 75 VAL CB C 31.9499 . . 278 75 75 VAL N N 122.5725 . . 279 76 76 VAL H H 7.6078 . . 280 76 76 VAL CA C 56.9146 . . 281 76 76 VAL CB C 37.5939 . . 282 76 76 VAL N N 124.6394 . . 283 77 77 LYS H H 8.9611 . . 284 77 77 LYS CA C 57.2494 . . 285 77 77 LYS CB C 32.6185 . . 286 77 77 LYS N N 122.1673 . . 287 78 78 VAL H H 9.3388 . . 288 78 78 VAL CA C 59.0764 . . 289 78 78 VAL CB C 36.8813 . . 290 78 78 VAL N N 115.2024 . . 291 79 79 THR H H 8.8519 . . 292 79 79 THR CA C 64.9828 . . 293 79 79 THR CB C 70.4611 . . 294 79 79 THR N N 116.1006 . . 295 80 80 ASP H H 9.0934 . . 296 80 80 ASP CA C 57.3278 . . 297 80 80 ASP CB C 42.1814 . . 298 80 80 ASP N N 125.0037 . . 299 81 81 CYS H H 8.8473 . . 300 81 81 CYS CA C 52.557 . . 301 81 81 CYS CB C 40.1998 . . 302 81 81 CYS N N 121.0548 . . 303 82 82 ARG H H 9.2148 . . 304 82 82 ARG CA C 54.6122 . . 305 82 82 ARG CB C 33.6217 . . 306 82 82 ARG N N 123.6537 . . 307 83 83 ASP H H 9.2509 . . 308 83 83 ASP CA C 55.5953 . . 309 83 83 ASP CB C 41.9752 . . 310 83 83 ASP N N 128.4085 . . 311 84 84 THR H H 8.8265 . . 312 84 84 THR CA C 63.3088 . . 313 84 84 THR CB C 70.8819 . . 314 84 84 THR N N 118.3935 . . 315 85 85 GLY H H 8.6614 . . 316 85 85 GLY CA C 45.7604 . . 317 85 85 GLY N N 111.0226 . . 318 86 86 SER H H 8.063 . . 319 86 86 SER CA C 59.439 . . 320 86 86 SER CB C 64.033 . . 321 86 86 SER N N 114.396 . . 322 87 87 SER H H 7.5989 . . 323 87 87 SER CA C 57.0681 . . 324 87 87 SER CB C 64.8953 . . 325 87 87 SER N N 114.7276 . . 326 88 88 ARG H H 8.5027 . . 327 88 88 ARG CA C 55.3307 . . 328 88 88 ARG CB C 31.733 . . 329 88 88 ARG N N 125.2722 . . 330 89 89 ALA H H 8.5517 . . 331 89 89 ALA CA C 52.1424 . . 332 89 89 ALA CB C 16.3474 . . 333 89 89 ALA N N 126.6252 . . 334 91 91 ASN H H 8.3226 . . 335 91 91 ASN CA C 52.1082 . . 336 91 91 ASN CB C 37.8469 . . 337 91 91 ASN N N 127.0459 . . 338 92 92 CYS H H 7.4261 . . 339 92 92 CYS CA C 56.3673 . . 340 92 92 CYS CB C 43.5172 . . 341 92 92 CYS N N 118.9747 . . 342 93 93 ARG H H 9.3611 . . 343 93 93 ARG CA C 54.6306 . . 344 93 93 ARG CB C 31.5772 . . 345 93 93 ARG N N 125.9928 . . 346 94 94 TYR H H 10.0647 . . 347 94 94 TYR CA C 58.8438 . . 348 94 94 TYR CB C 42.7783 . . 349 94 94 TYR N N 124.7574 . . 350 95 95 ARG H H 9.0484 . . 351 95 95 ARG CA C 53.3978 . . 352 95 95 ARG CB C 32.3059 . . 353 95 95 ARG N N 118.0468 . . 354 96 96 ALA H H 8.9042 . . 355 96 96 ALA CA C 50.9641 . . 356 96 96 ALA CB C 23.9424 . . 357 96 96 ALA N N 127.2826 . . 358 97 97 ILE H H 8.8854 . . 359 97 97 ILE CA C 61.8372 . . 360 97 97 ILE CB C 41.045 . . 361 97 97 ILE N N 120.1897 . . 362 99 99 SER H H 8.565 . . 363 99 99 SER CA C 58.7144 . . 364 99 99 SER CB C 65.4118 . . 365 99 99 SER N N 115.4992 . . 366 100 100 THR H H 8.2767 . . 367 100 100 THR CA C 62.1547 . . 368 100 100 THR CB C 69.204 . . 369 100 100 THR N N 116.934 . . 370 101 101 ARG H H 9.1278 . . 371 101 101 ARG CA C 53.9567 . . 372 101 101 ARG CB C 33.5035 . . 373 101 101 ARG N N 123.2499 . . 374 102 102 ARG H H 8.3512 . . 375 102 102 ARG CA C 55.9316 . . 376 102 102 ARG CB C 30.7724 . . 377 102 102 ARG N N 120.5585 . . 378 103 103 VAL H H 9.3217 . . 379 103 103 VAL CA C 57.7577 . . 380 103 103 VAL CB C 34.51 . . 381 103 103 VAL N N 122.8698 . . 382 104 104 VAL H H 8.43 . . 383 104 104 VAL CA C 57.48 . . 384 104 104 VAL CB C 33.84 . . 385 104 104 VAL N N 118.94 . . 386 105 105 ILE H H 8.198 . . 387 105 105 ILE CA C 57.50 . . 388 105 105 ILE CB C 29.69 . . 389 105 105 ILE N N 114.780 . . 390 106 106 ALA H H 8.9695 . . 391 106 106 ALA CB C 21.6189 . . 392 106 106 ALA N N 125.6008 . . 393 107 107 CYS H H 8.4213 . . 394 107 107 CYS CA C 54.7364 . . 395 107 107 CYS CB C 49.3507 . . 396 107 107 CYS N N 116.6178 . . 397 108 108 GLU H H 8.7663 . . 398 108 108 GLU CA C 55.9016 . . 399 108 108 GLU CB C 35.397 . . 400 108 108 GLU N N 120.5391 . . 401 109 109 GLY H H 8.5889 . . 402 109 109 GLY CA C 43.8047 . . 403 109 109 GLY N N 109.2453 . . 404 110 110 ASN H H 7.890 . . 405 110 110 ASN CA C 50.41 . . 406 110 110 ASN CB C 43.78 . . 407 110 110 ASN N N 114.326 . . 408 113 113 VAL H H 7.491 . . 409 113 113 VAL CA C 55.5609 . . 410 113 113 VAL CB C 38.0686 . . 411 113 113 VAL N N 119.528 . . 412 115 115 VAL H H 8.3548 . . 413 115 115 VAL CA C 60.4727 . . 414 115 115 VAL CB C 35.0601 . . 415 115 115 VAL N N 107.3164 . . 416 116 116 HIS H H 7.4654 . . 417 116 116 HIS CA C 56.1615 . . 418 116 116 HIS CB C 32.4641 . . 419 116 116 HIS N N 117.4994 . . 420 117 117 PHE H H 9.4797 . . 421 117 117 PHE CA C 57.9678 . . 422 117 117 PHE CB C 39.4712 . . 423 117 117 PHE N N 129.72 . . 424 118 118 ASP H H 8.7719 . . 425 118 118 ASP CA C 55.3916 . . 426 118 118 ASP CB C 44.6639 . . 427 118 118 ASP N N 130.8358 . . 428 119 119 GLY H H 6.723 . . 429 119 119 GLY CA C 47.003 . . 430 119 119 GLY N N 112.136 . . stop_ save_