data_36112 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; NMR structure of the domain 5 of the E. coli ribosomal protein S1 ; _BMRB_accession_number 36112 _BMRB_flat_file_name bmr36112.str _Entry_type original _Submission_date 2017-08-16 _Accession_date 2017-10-18 _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 Lu Y. . . 2 Lim L. Z. . 3 Song J. . . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 178 "13C chemical shifts" 177 "15N chemical shifts" 89 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2018-07-11 original BMRB . stop_ _Original_release_date 2017-10-18 save_ ############################# # Citation for this entry # ############################# save_citation_1 _Saveframe_category entry_citation _Citation_full . _Citation_title ; NMR structure of the domain 5 of the E. coli ribosomal protein S1 ; _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 Lu Y. . . 2 Lim L. Z. . 3 Song J. . . stop_ _Journal_abbreviation . _Journal_volume . _Journal_issue . _Journal_CSD 0353 _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first . _Page_last . _Year . _Details . save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name '30S ribosomal protein S1' _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label entity_1 $entity_1 stop_ _System_molecular_weight . _System_oligomer_state ? _System_paramagnetic no _System_thiol_state . _Database_query_date . _Details . save_ ######################## # Monomeric polymers # ######################## save_entity_1 _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common entity_1 _Molecular_mass 12071.572 _Mol_thiol_state 'not present' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 100 _Mol_residue_sequence ; MATTYEEFAAKLDRLDAEFA KKMEEQNKRFFADKPDEATL SPEMKEHYEKFEKMIQEHTD KFNKKMREHSEHFKAKFAEL LEQQKNAQFPGKGSHHHHHH ; loop_ _Residue_seq_code _Residue_author_seq_code _Residue_label 1 1 MET 2 2 ALA 3 3 THR 4 4 THR 5 5 TYR 6 6 GLU 7 7 GLU 8 8 PHE 9 9 ALA 10 10 ALA 11 11 LYS 12 12 LEU 13 13 ASP 14 14 ARG 15 15 LEU 16 16 ASP 17 17 ALA 18 18 GLU 19 19 PHE 20 20 ALA 21 21 LYS 22 22 LYS 23 23 MET 24 24 GLU 25 25 GLU 26 26 GLN 27 27 ASN 28 28 LYS 29 29 ARG 30 30 PHE 31 31 PHE 32 32 ALA 33 33 ASP 34 34 LYS 35 35 PRO 36 36 ASP 37 37 GLU 38 38 ALA 39 39 THR 40 40 LEU 41 41 SER 42 42 PRO 43 43 GLU 44 44 MET 45 45 LYS 46 46 GLU 47 47 HIS 48 48 TYR 49 49 GLU 50 50 LYS 51 51 PHE 52 52 GLU 53 53 LYS 54 54 MET 55 55 ILE 56 56 GLN 57 57 GLU 58 58 HIS 59 59 THR 60 60 ASP 61 61 LYS 62 62 PHE 63 63 ASN 64 64 LYS 65 65 LYS 66 66 MET 67 67 ARG 68 68 GLU 69 69 HIS 70 70 SER 71 71 GLU 72 72 HIS 73 73 PHE 74 74 LYS 75 75 ALA 76 76 LYS 77 77 PHE 78 78 ALA 79 79 GLU 80 80 LEU 81 81 LEU 82 82 GLU 83 83 GLN 84 84 GLN 85 85 LYS 86 86 ASN 87 87 ALA 88 88 GLN 89 89 PHE 90 90 PRO 91 91 GLY 92 92 LYS 93 93 GLY 94 94 SER 95 95 HIS 96 96 HIS 97 97 HIS 98 98 HIS 99 99 HIS 100 100 HIS 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 _Gene_mnemonic $entity_1 'Trypanosoma brucei' 5702 Eukaryota . Trypanosoma brucei 'KMP-11/1, KMP-11/2, KMP-11/3, KMP-11/4' stop_ save_ ######################### # Experimental source # ######################### save_experimental_source _Saveframe_category experimental_source loop_ _Mol_label _Production_method _Host_organism_name_common _Genus _Species _Strain _Vector_name $entity_1 'recombinant technology' . . . K-12 . stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Saveframe_category sample _Sample_type solution _Details '500 uM [U-99% 13C; U-99% 15N] KMP-11, 150 mM DPC, 90% H2O/10% D2O' loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $entity_1 500 uM '[U-99% 13C; U-99% 15N]' DPC 150 mM 'natural abundance' H2O 90 % 'natural abundance' D2O 10 % [U-2H] stop_ save_ ############################ # Computer software used # ############################ save_software_1 _Saveframe_category software _Name AMBER _Version 10 loop_ _Vendor _Address _Electronic_address 'Case, Darden, Cheatham III, Simmerling, Wang, Duke, Luo, ... and Kollman' . . stop_ loop_ _Task refinement stop_ _Details . save_ save_software_2 _Saveframe_category software _Name CYANA _Version 2 loop_ _Vendor _Address _Electronic_address 'Guntert, Mumenthaler and Wuthrich' . . stop_ loop_ _Task 'structure calculation' stop_ _Details . save_ save_software_3 _Saveframe_category software _Name CcpNMR _Version 2.4.1 loop_ _Vendor _Address _Electronic_address CCPN . . stop_ loop_ _Task 'chemical shift assignment' stop_ _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_NMR_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model Avance _Field_strength 800 _Details . save_ ############################# # NMR applied experiments # ############################# save_3D_1H-15N_TOCSY_1 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-15N TOCSY' _Sample_label $sample_1 save_ save_3D_1H-15N_NOESY_2 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-15N NOESY' _Sample_label $sample_1 save_ save_3D_CBCA(CO)NH_3 _Saveframe_category NMR_applied_experiment _Experiment_name '3D CBCA(CO)NH' _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' 200 10 mM pH 6.5 0.1 pH pressure 1 0.01 atm temperature 313 0.1 K stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chem_shift_reference_1 _Saveframe_category chemical_shift_reference _Details . loop_ _Mol_common_name _Atom_type _Atom_isotope_number _Atom_group _Chem_shift_units _Chem_shift_value _Reference_method _Reference_type _External_reference_sample_geometry _External_reference_location _External_reference_axis _Indirect_shift_ratio DSS C 13 'methyl protons' ppm 0.000 internal indirect . . . 0.251449530 DSS H 1 'methyl protons' ppm 0.000 internal direct . . . 1.0 DSS N 15 'methyl protons' ppm 0.000 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_chemical_shifts_1 _Saveframe_category assigned_chemical_shifts _Details . loop_ _Experiment_label '3D 1H-15N TOCSY' '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 $chem_shift_reference_1 _Mol_system_component_name entity_1 _Text_data_format . _Text_data . loop_ _Atom_shift_assign_ID _Residue_author_seq_code _Residue_seq_code _Residue_label _Atom_name _Atom_type _Chem_shift_value _Chem_shift_value_error _Chem_shift_ambiguity_code 1 1 1 MET H H 8.388 . . 2 1 1 MET CA C 56.099 . . 3 1 1 MET CB C 32.952 . . 4 1 1 MET N N 120.800 . . 5 2 2 ALA H H 8.247 . . 6 2 2 ALA HA H 4.298 . . 7 2 2 ALA CA C 53.515 . . 8 2 2 ALA CB C 19.201 . . 9 2 2 ALA N N 123.762 . . 10 3 3 THR H H 8.160 . . 11 3 3 THR HA H 4.310 . . 12 3 3 THR CA C 63.116 . . 13 3 3 THR CB C 69.786 . . 14 3 3 THR N N 112.485 . . 15 4 4 THR H H 8.187 . . 16 4 4 THR HA H 4.205 . . 17 4 4 THR CA C 64.308 . . 18 4 4 THR CB C 69.526 . . 19 4 4 THR N N 116.598 . . 20 5 5 TYR H H 8.532 . . 21 5 5 TYR HA H 4.192 . . 22 5 5 TYR CA C 61.223 . . 23 5 5 TYR CB C 38.118 . . 24 5 5 TYR N N 120.698 . . 25 6 6 GLU H H 8.368 . . 26 6 6 GLU HA H 3.862 . . 27 6 6 GLU CA C 59.816 . . 28 6 6 GLU CB C 29.576 . . 29 6 6 GLU N N 119.038 . . 30 7 7 GLU H H 8.168 . . 31 7 7 GLU HA H 4.081 . . 32 7 7 GLU CA C 58.825 . . 33 7 7 GLU CB C 29.610 . . 34 7 7 GLU N N 119.409 . . 35 8 8 PHE H H 8.123 . . 36 8 8 PHE HA H 4.195 . . 37 8 8 PHE CA C 60.932 . . 38 8 8 PHE CB C 39.141 . . 39 8 8 PHE N N 119.420 . . 40 9 9 ALA H H 8.581 . . 41 9 9 ALA HA H 3.765 . . 42 9 9 ALA CA C 55.042 . . 43 9 9 ALA CB C 17.789 . . 44 9 9 ALA N N 121.244 . . 45 10 10 ALA H H 7.763 . . 46 10 10 ALA HA H 4.143 . . 47 10 10 ALA CA C 54.219 . . 48 10 10 ALA CB C 18.362 . . 49 10 10 ALA N N 118.533 . . 50 11 11 LYS H H 7.702 . . 51 11 11 LYS HA H 4.105 . . 52 11 11 LYS CA C 57.760 . . 53 11 11 LYS CB C 32.427 . . 54 11 11 LYS N N 117.147 . . 55 12 12 LEU H H 7.756 . . 56 12 12 LEU HA H 3.983 . . 57 12 12 LEU CA C 56.957 . . 58 12 12 LEU CB C 41.548 . . 59 12 12 LEU N N 118.985 . . 60 13 13 ASP H H 7.947 . . 61 13 13 ASP HA H 4.380 . . 62 13 13 ASP CA C 56.264 . . 63 13 13 ASP CB C 41.244 . . 64 13 13 ASP N N 118.081 . . 65 14 14 ARG H H 7.715 . . 66 14 14 ARG HA H 4.231 . . 67 14 14 ARG CA C 56.625 . . 68 14 14 ARG CB C 30.220 . . 69 14 14 ARG N N 117.034 . . 70 15 15 LEU H H 7.813 . . 71 15 15 LEU HA H 4.124 . . 72 15 15 LEU CA C 56.349 . . 73 15 15 LEU CB C 42.134 . . 74 15 15 LEU N N 120.720 . . 75 16 16 ASP H H 8.167 . . 76 16 16 ASP HA H 4.507 . . 77 16 16 ASP CA C 54.882 . . 78 16 16 ASP CB C 41.907 . . 79 16 16 ASP N N 119.611 . . 80 17 17 ALA H H 8.436 . . 81 17 17 ALA HA H 4.166 . . 82 17 17 ALA CA C 54.804 . . 83 17 17 ALA CB C 18.758 . . 84 17 17 ALA N N 123.622 . . 85 18 18 GLU H H 8.364 . . 86 18 18 GLU HA H 4.139 . . 87 18 18 GLU CA C 58.431 . . 88 18 18 GLU CB C 29.261 . . 89 18 18 GLU N N 118.100 . . 90 19 19 PHE H H 8.436 . . 91 19 19 PHE HA H 4.202 . . 92 19 19 PHE CA C 61.176 . . 93 19 19 PHE CB C 39.226 . . 94 19 19 PHE N N 120.959 . . 95 20 20 ALA H H 8.339 . . 96 20 20 ALA HA H 3.924 . . 97 20 20 ALA CA C 55.170 . . 98 20 20 ALA CB C 18.106 . . 99 20 20 ALA N N 120.781 . . 100 21 21 LYS H H 7.886 . . 101 21 21 LYS HA H 4.064 . . 102 21 21 LYS CA C 58.762 . . 103 21 21 LYS CB C 32.221 . . 104 21 21 LYS N N 117.975 . . 105 22 22 LYS H H 7.945 . . 106 22 22 LYS HA H 4.120 . . 107 22 22 LYS CA C 58.456 . . 108 22 22 LYS CB C 32.041 . . 109 22 22 LYS N N 119.565 . . 110 23 23 MET H H 8.139 . . 111 23 23 MET HA H 4.161 . . 112 23 23 MET CA C 57.539 . . 113 23 23 MET CB C 32.321 . . 114 23 23 MET N N 118.319 . . 115 24 24 GLU H H 8.157 . . 116 24 24 GLU HA H 4.065 . . 117 24 24 GLU CA C 59.033 . . 118 24 24 GLU CB C 29.509 . . 119 24 24 GLU N N 120.578 . . 120 25 25 GLU H H 8.114 . . 121 25 25 GLU HA H 4.010 . . 122 25 25 GLU CA C 58.833 . . 123 25 25 GLU CB C 29.751 . . 124 25 25 GLU N N 119.153 . . 125 26 26 GLN H H 8.120 . . 126 26 26 GLN HA H 4.148 . . 127 26 26 GLN CA C 57.301 . . 128 26 26 GLN CB C 28.441 . . 129 26 26 GLN N N 117.723 . . 130 27 27 ASN H H 8.274 . . 131 27 27 ASN HA H 4.583 . . 132 27 27 ASN CA C 55.390 . . 133 27 27 ASN CB C 39.054 . . 134 27 27 ASN N N 118.157 . . 135 28 28 LYS H H 7.953 . . 136 28 28 LYS HA H 4.124 . . 137 28 28 LYS CA C 58.301 . . 138 28 28 LYS CB C 32.535 . . 139 28 28 LYS N N 118.711 . . 140 29 29 ARG H H 7.908 . . 141 29 29 ARG HA H 4.129 . . 142 29 29 ARG CA C 57.379 . . 143 29 29 ARG CB C 30.420 . . 144 29 29 ARG N N 118.471 . . 145 30 30 PHE H H 8.044 . . 146 30 30 PHE HA H 4.335 . . 147 30 30 PHE CA C 59.307 . . 148 30 30 PHE CB C 39.746 . . 149 30 30 PHE N N 118.350 . . 150 31 31 PHE H H 7.964 . . 151 31 31 PHE HA H 4.812 . . 152 31 31 PHE CA C 57.692 . . 153 31 31 PHE CB C 39.399 . . 154 31 31 PHE N N 116.250 . . 155 32 32 ALA H H 7.880 . . 156 32 32 ALA HA H 4.274 . . 157 32 32 ALA CA C 52.919 . . 158 32 32 ALA CB C 19.661 . . 159 32 32 ALA N N 122.951 . . 160 33 33 ASP H H 8.251 . . 161 33 33 ASP HA H 4.549 . . 162 33 33 ASP CA C 54.487 . . 163 33 33 ASP CB C 41.316 . . 164 33 33 ASP N N 118.303 . . 165 34 34 LYS H H 8.023 . . 166 34 34 LYS HA H 4.578 . . 167 34 34 LYS CA C 54.051 . . 168 34 34 LYS CB C 32.738 . . 169 34 34 LYS N N 120.459 . . 170 36 36 ASP H H 8.413 . . 171 36 36 ASP HA H 4.483 . . 172 36 36 ASP CA C 54.538 . . 173 36 36 ASP CB C 41.051 . . 174 36 36 ASP N N 118.508 . . 175 37 37 GLU H H 8.231 . . 176 37 37 GLU HA H 4.219 . . 177 37 37 GLU CA C 56.930 . . 178 37 37 GLU CB C 30.414 . . 179 37 37 GLU N N 120.244 . . 180 38 38 ALA H H 8.211 . . 181 38 38 ALA HA H 4.306 . . 182 38 38 ALA CA C 52.725 . . 183 38 38 ALA CB C 19.214 . . 184 38 38 ALA N N 123.584 . . 185 39 39 THR H H 8.059 . . 186 39 39 THR HA H 4.233 . . 187 39 39 THR CA C 62.475 . . 188 39 39 THR CB C 69.880 . . 189 39 39 THR N N 113.312 . . 190 40 40 LEU H H 8.114 . . 191 40 40 LEU HA H 4.464 . . 192 40 40 LEU CA C 54.429 . . 193 40 40 LEU CB C 43.158 . . 194 40 40 LEU N N 122.371 . . 195 41 41 SER H H 8.448 . . 196 41 41 SER HA H 4.235 . . 197 41 41 SER CA C 56.841 . . 198 41 41 SER CB C 63.082 . . 199 41 41 SER N N 119.193 . . 200 43 43 GLU H H 8.853 . . 201 43 43 GLU HA H 4.103 . . 202 43 43 GLU CA C 59.467 . . 203 43 43 GLU CB C 29.055 . . 204 43 43 GLU N N 117.417 . . 205 44 44 MET H H 7.919 . . 206 44 44 MET HA H 4.412 . . 207 44 44 MET CA C 57.510 . . 208 44 44 MET CB C 32.473 . . 209 44 44 MET N N 118.894 . . 210 45 45 LYS H H 8.329 . . 211 45 45 LYS HA H 3.960 . . 212 45 45 LYS CA C 60.057 . . 213 45 45 LYS CB C 32.352 . . 214 45 45 LYS N N 120.079 . . 215 46 46 GLU H H 7.995 . . 216 46 46 GLU HA H 4.104 . . 217 46 46 GLU CA C 59.245 . . 218 46 46 GLU CB C 29.341 . . 219 46 46 GLU N N 118.410 . . 220 47 47 HIS H H 7.804 . . 221 47 47 HIS HA H 4.483 . . 222 47 47 HIS CA C 59.079 . . 223 47 47 HIS CB C 30.471 . . 224 47 47 HIS N N 117.568 . . 225 48 48 TYR H H 8.499 . . 226 48 48 TYR HA H 4.166 . . 227 48 48 TYR CA C 61.996 . . 228 48 48 TYR CB C 38.354 . . 229 48 48 TYR N N 119.563 . . 230 49 49 GLU H H 8.513 . . 231 49 49 GLU HA H 3.976 . . 232 49 49 GLU CA C 59.756 . . 233 49 49 GLU CB C 29.387 . . 234 49 49 GLU N N 118.964 . . 235 50 50 LYS H H 7.921 . . 236 50 50 LYS HA H 4.024 . . 237 50 50 LYS CA C 59.370 . . 238 50 50 LYS CB C 32.405 . . 239 50 50 LYS N N 118.752 . . 240 51 51 PHE H H 8.158 . . 241 51 51 PHE HA H 4.316 . . 242 51 51 PHE CA C 60.719 . . 243 51 51 PHE CB C 39.117 . . 244 51 51 PHE N N 120.508 . . 245 52 52 GLU H H 8.649 . . 246 52 52 GLU HA H 3.583 . . 247 52 52 GLU CA C 60.163 . . 248 52 52 GLU CB C 29.414 . . 249 52 52 GLU N N 119.731 . . 250 53 53 LYS H H 7.869 . . 251 53 53 LYS HA H 4.023 . . 252 53 53 LYS CA C 59.084 . . 253 53 53 LYS CB C 32.214 . . 254 53 53 LYS N N 117.814 . . 255 54 54 MET H H 7.853 . . 256 54 54 MET HA H 4.252 . . 257 54 54 MET CA C 59.011 . . 258 54 54 MET CB C 33.008 . . 259 54 54 MET N N 118.908 . . 260 55 55 ILE H H 8.085 . . 261 55 55 ILE HA H 3.706 . . 262 55 55 ILE CA C 64.110 . . 263 55 55 ILE CB C 37.334 . . 264 55 55 ILE N N 117.927 . . 265 56 56 GLN H H 8.087 . . 266 56 56 GLN HA H 4.027 . . 267 56 56 GLN CA C 58.886 . . 268 56 56 GLN CB C 28.525 . . 269 56 56 GLN N N 119.951 . . 270 57 57 GLU H H 8.081 . . 271 57 57 GLU HA H 4.217 . . 272 57 57 GLU CA C 58.434 . . 273 57 57 GLU CB C 29.741 . . 274 57 57 GLU N N 117.397 . . 275 58 58 HIS H H 7.920 . . 276 58 58 HIS HA H 4.683 . . 277 58 58 HIS CA C 57.607 . . 278 58 58 HIS CB C 31.092 . . 279 58 58 HIS N N 115.943 . . 280 59 59 THR H H 8.019 . . 281 59 59 THR HA H 4.265 . . 282 59 59 THR CA C 65.776 . . 283 59 59 THR CB C 68.938 . . 284 59 59 THR N N 114.152 . . 285 60 60 ASP H H 8.509 . . 286 60 60 ASP HA H 4.496 . . 287 60 60 ASP CA C 56.963 . . 288 60 60 ASP CB C 40.783 . . 289 60 60 ASP N N 121.204 . . 290 61 61 LYS H H 7.985 . . 291 61 61 LYS HA H 4.104 . . 292 61 61 LYS CA C 58.361 . . 293 61 61 LYS CB C 32.400 . . 294 61 61 LYS N N 118.570 . . 295 62 62 PHE H H 8.143 . . 296 62 62 PHE HA H 4.335 . . 297 62 62 PHE CA C 59.935 . . 298 62 62 PHE CB C 39.317 . . 299 62 62 PHE N N 118.785 . . 300 63 63 ASN H H 8.443 . . 301 63 63 ASN HA H 4.358 . . 302 63 63 ASN CA C 55.746 . . 303 63 63 ASN CB C 38.814 . . 304 63 63 ASN N N 118.722 . . 305 64 64 LYS H H 8.204 . . 306 64 64 LYS HA H 4.001 . . 307 64 64 LYS CA C 59.475 . . 308 64 64 LYS CB C 32.582 . . 309 64 64 LYS N N 119.324 . . 310 65 65 LYS H H 8.052 . . 311 65 65 LYS HA H 4.216 . . 312 65 65 LYS CA C 57.894 . . 313 65 65 LYS CB C 32.164 . . 314 65 65 LYS N N 118.710 . . 315 66 66 MET H H 8.346 . . 316 66 66 MET HA H 4.176 . . 317 66 66 MET CA C 58.261 . . 318 66 66 MET CB C 32.155 . . 319 66 66 MET N N 118.027 . . 320 67 67 ARG H H 8.071 . . 321 67 67 ARG HA H 4.028 . . 322 67 67 ARG CA C 59.076 . . 323 67 67 ARG CB C 29.638 . . 324 67 67 ARG N N 118.577 . . 325 68 68 GLU H H 8.090 . . 326 68 68 GLU HA H 4.057 . . 327 68 68 GLU CA C 58.620 . . 328 68 68 GLU CB C 29.761 . . 329 68 68 GLU N N 118.790 . . 330 69 69 HIS H H 7.988 . . 331 69 69 HIS HA H 4.610 . . 332 69 69 HIS CA C 57.494 . . 333 69 69 HIS CB C 30.947 . . 334 69 69 HIS N N 116.286 . . 335 70 70 SER H H 8.199 . . 336 70 70 SER HA H 4.092 . . 337 70 70 SER CA C 58.611 . . 338 70 70 SER CB C 63.088 . . 339 70 70 SER N N 116.041 . . 340 71 71 GLU H H 8.463 . . 341 71 71 GLU HA H 4.273 . . 342 71 71 GLU CA C 59.550 . . 343 71 71 GLU CB C 29.136 . . 344 71 71 GLU N N 120.952 . . 345 72 72 HIS H H 8.044 . . 346 72 72 HIS HA H 4.528 . . 347 72 72 HIS CA C 58.555 . . 348 72 72 HIS CB C 30.251 . . 349 72 72 HIS N N 119.263 . . 350 73 73 PHE H H 8.369 . . 351 73 73 PHE HA H 4.196 . . 352 73 73 PHE CA C 61.317 . . 353 73 73 PHE CB C 38.974 . . 354 73 73 PHE N N 118.328 . . 355 74 74 LYS H H 8.543 . . 356 74 74 LYS HA H 3.878 . . 357 74 74 LYS CA C 60.914 . . 358 74 74 LYS CB C 32.337 . . 359 74 74 LYS N N 119.056 . . 360 75 75 ALA H H 7.942 . . 361 75 75 ALA HA H 4.202 . . 362 75 75 ALA CA C 54.999 . . 363 75 75 ALA CB C 18.106 . . 364 75 75 ALA N N 120.578 . . 365 76 76 LYS H H 8.043 . . 366 76 76 LYS HA H 4.147 . . 367 76 76 LYS CA C 57.416 . . 368 76 76 LYS CB C 31.466 . . 369 76 76 LYS N N 118.218 . . 370 77 77 PHE H H 8.558 . . 371 77 77 PHE HA H 4.169 . . 372 77 77 PHE CA C 61.099 . . 373 77 77 PHE CB C 39.023 . . 374 77 77 PHE N N 119.589 . . 375 78 78 ALA H H 8.193 . . 376 78 78 ALA HA H 3.937 . . 377 78 78 ALA CA C 55.502 . . 378 78 78 ALA CB C 18.046 . . 379 78 78 ALA N N 120.049 . . 380 79 79 GLU H H 7.886 . . 381 79 79 GLU HA H 4.056 . . 382 79 79 GLU CA C 59.042 . . 383 79 79 GLU CB C 29.893 . . 384 79 79 GLU N N 117.933 . . 385 80 80 LEU H H 7.978 . . 386 80 80 LEU HA H 4.058 . . 387 80 80 LEU CA C 57.666 . . 388 80 80 LEU CB C 41.907 . . 389 80 80 LEU N N 120.177 . . 390 81 81 LEU H H 7.997 . . 391 81 81 LEU HA H 3.946 . . 392 81 81 LEU CA C 57.299 . . 393 81 81 LEU CB C 41.732 . . 394 81 81 LEU N N 118.294 . . 395 82 82 GLU H H 7.898 . . 396 82 82 GLU HA H 4.044 . . 397 82 82 GLU CA C 58.549 . . 398 82 82 GLU CB C 29.526 . . 399 82 82 GLU N N 119.098 . . 400 83 83 GLN H H 8.083 . . 401 83 83 GLN HA H 4.129 . . 402 83 83 GLN CA C 57.630 . . 403 83 83 GLN CB C 28.731 . . 404 83 83 GLN N N 118.203 . . 405 84 84 GLN H H 8.138 . . 406 84 84 GLN HA H 4.144 . . 407 84 84 GLN CA C 56.911 . . 408 84 84 GLN CB C 28.560 . . 409 84 84 GLN N N 118.520 . . 410 85 85 LYS H H 8.084 . . 411 85 85 LYS HA H 4.118 . . 412 85 85 LYS CA C 58.015 . . 413 85 85 LYS CB C 32.568 . . 414 85 85 LYS N N 120.172 . . 415 86 86 ASN H H 8.135 . . 416 86 86 ASN HA H 4.611 . . 417 86 86 ASN CA C 53.706 . . 418 86 86 ASN CB C 38.916 . . 419 86 86 ASN N N 117.466 . . 420 87 87 ALA H H 7.948 . . 421 87 87 ALA HA H 4.219 . . 422 87 87 ALA CA C 52.932 . . 423 87 87 ALA CB C 19.155 . . 424 87 87 ALA N N 123.063 . . 425 88 88 GLN H H 8.187 . . 426 88 88 GLN HA H 4.276 . . 427 88 88 GLN CA C 55.738 . . 428 88 88 GLN CB C 29.498 . . 429 88 88 GLN N N 118.133 . . 430 89 89 PHE H H 8.174 . . 431 89 89 PHE HA H 4.861 . . 432 89 89 PHE CA C 55.452 . . 433 89 89 PHE CB C 39.203 . . 434 89 89 PHE N N 121.116 . . 435 91 91 GLY H H 8.190 . . 436 91 91 GLY HA2 H 3.901 . . 437 91 91 GLY HA3 H 3.901 . . 438 91 91 GLY CA C 45.373 . . 439 91 91 GLY N N 109.133 . . 440 92 92 LYS H H 7.764 . . 441 92 92 LYS HA H 4.147 . . 442 92 92 LYS CA C 57.536 . . 443 92 92 LYS CB C 33.689 . . 444 92 92 LYS N N 125.689 . . stop_ save_