data_19809 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Solution structure of YSCUCN in a micellar complex with SDS ; _BMRB_accession_number 19809 _BMRB_flat_file_name bmr19809.str _Entry_type original _Submission_date 2014-02-20 _Accession_date 2014-02-20 _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 Weise Christoph F. . 2 Wolf-Watz Magnus . . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 95 "13C chemical shifts" 55 "15N chemical shifts" 55 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2014-11-24 original author . stop_ _Original_release_date 2014-11-24 save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full . _Citation_title 'Negatively Charged Lipid Membranes Promote a Disorder-Order Transition in the Yersinia YscU Protein' _Citation_status published _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 Weise Christoph F. . 2 Login Frederic H . 3 Ho Oanh H. . 4 Grobner Gerhard H. . 5 Wolf-Watz Hans H. . 6 Wolf-Watz Magnus . . stop_ _Journal_abbreviation 'Biophys. J.' _Journal_name_full 'Biophysical Journal' _Journal_volume 107 _Journal_issue . _Journal_ASTM BIOJAU _Journal_ISSN 0006-3495 _Journal_CSD 0030 _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 1950 _Page_last 1961 _Year 2014 _Details . save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name 'YSCUCN in a micellar complex with SDS' _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label entity $entity 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_entity _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common entity _Molecular_mass 6832.921 _Mol_thiol_state 'not present' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 58 _Mol_residue_sequence ; GPLGSIKELKMSKDEIKREY KEMEGSPEIKSKRRQFHQEI QSRNMRENVKRSSVVVAN ; loop_ _Residue_seq_code _Residue_author_seq_code _Residue_label 1 -4 GLY 2 -3 PRO 3 -2 LEU 4 -1 GLY 5 0 SER 6 211 ILE 7 212 LYS 8 213 GLU 9 214 LEU 10 215 LYS 11 216 MET 12 217 SER 13 218 LYS 14 219 ASP 15 220 GLU 16 221 ILE 17 222 LYS 18 223 ARG 19 224 GLU 20 225 TYR 21 226 LYS 22 227 GLU 23 228 MET 24 229 GLU 25 230 GLY 26 231 SER 27 232 PRO 28 233 GLU 29 234 ILE 30 235 LYS 31 236 SER 32 237 LYS 33 238 ARG 34 239 ARG 35 240 GLN 36 241 PHE 37 242 HIS 38 243 GLN 39 244 GLU 40 245 ILE 41 246 GLN 42 247 SER 43 248 ARG 44 249 ASN 45 250 MET 46 251 ARG 47 252 GLU 48 253 ASN 49 254 VAL 50 255 LYS 51 256 ARG 52 257 SER 53 258 SER 54 259 VAL 55 260 VAL 56 261 VAL 57 262 ALA 58 263 ASN stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date 2015-08-05 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 2JLH "Crystal Structure Of The Cytoplasmic Domain Of Yersinia Pestis Yscu N263a Mutant" 89.66 144 100.00 100.00 6.96e-26 PDB 2JLI "Atomic Resolution Structure Of The Cytoplasmic Domain Of Yersinia Pestis Yscu, A Regulatory Switch Involved In Type Iii Secreti" 75.86 123 100.00 100.00 1.13e-20 PDB 2JLJ "Crystal Structure Of The Cytoplasmic Domain Of Yersinia Pestis Yscu N263a P264a Mutant" 89.66 144 100.00 100.00 6.39e-26 PDB 2ML9 "Solution Structure Of Yscucn In A Micellar Complex With Sds" 100.00 58 100.00 100.00 1.37e-31 EMBL CAB54924 "putative type III secretion protein [Yersinia pestis CO92]" 91.38 354 100.00 100.00 6.92e-26 EMBL CAF25417 "yscU; putative type III secretion protein [Yersinia pseudotuberculosis IP 32953]" 91.38 354 100.00 100.00 6.92e-26 EMBL CAL10055 "putative type III secretion protein [Yersinia enterocolitica subsp. enterocolitica 8081]" 91.38 354 98.11 98.11 8.32e-25 EMBL CBW54704 "YscU, T3SS component, autocleavable regulator,PMID 19165725 [Yersinia enterocolitica (type O:8)]" 91.38 354 98.11 98.11 8.32e-25 EMBL CBY78168 "type III secretion inner membrane protein (YscU,SpaS,EscU,HrcU,SsaU, homologous to flagellar export components) [Yersinia enter" 91.38 354 98.11 98.11 8.24e-25 GB AAA27681 "yscU [Yersinia pseudotuberculosis]" 91.38 354 100.00 100.00 6.92e-26 GB AAC62556 "Yop proteins translocation protein U homolog [Yersinia pestis]" 91.38 354 100.00 100.00 6.92e-26 GB AAC69784 "type III secretion protein [Yersinia pestis]" 91.38 354 100.00 100.00 6.92e-26 GB AAD16831 "YscU [Yersinia enterocolitica W22703]" 91.38 354 98.11 98.11 8.24e-25 GB AAK69230 "YscU [Yersinia enterocolitica]" 91.38 354 98.11 98.11 8.32e-25 REF NP_052408 "YscU [Yersinia enterocolitica W22703]" 91.38 354 98.11 98.11 8.24e-25 REF NP_395181 "needle complex export protein [Yersinia pestis CO92]" 91.38 354 100.00 100.00 6.92e-26 REF NP_783682 "YscU [Yersinia enterocolitica]" 91.38 354 98.11 98.11 8.32e-25 REF NP_857735 "Yop proteins translocation protein U homolog [Yersinia pestis]" 91.38 354 100.00 100.00 6.92e-26 REF NP_857930 "type III secretion protein [Yersinia pestis]" 91.38 354 100.00 100.00 6.92e-26 SP P69986 "RecName: Full=Yop proteins translocation protein U" 91.38 354 100.00 100.00 6.92e-26 SP P69987 "RecName: Full=Yop proteins translocation protein U" 91.38 354 100.00 100.00 6.92e-26 stop_ 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 _Details $entity 'Yersinia pseudotuberculosis' 633 Bacteria . Yersinia pseudotuberculosis yscu 'YSCU RESIDUES 211-263' 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 'recombinant technology' . Escherichia coli 'BL21 (DE3) pLysS' pGex-6p3 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Saveframe_category sample _Sample_type micelle _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $entity 100 uM '[U-99% 13C; U-99% 15N]' 'sodium phosphate' 30 mM 'natural abundance' 'sodium chloride' 50 mM 'natural abundance' SDS 26 mM 'natural abundance' stop_ save_ ############################ # Computer software used # ############################ save_TOPSPIN _Saveframe_category software _Name TOPSPIN _Version . loop_ _Vendor _Address _Electronic_address 'Bruker Biospin' . . stop_ loop_ _Task collection stop_ _Details . save_ 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_ANSIG _Saveframe_category software _Name ANSIG _Version . loop_ _Vendor _Address _Electronic_address Kraulis . . stop_ loop_ _Task 'chemical shift assignment' stop_ _Details . save_ save_X-PLOR_NIH _Saveframe_category software _Name X-PLOR_NIH _Version . loop_ _Vendor _Address _Electronic_address 'Schwieters, Kuszewski, Tjandra and Clore' . . stop_ loop_ _Task 'structure solution' stop_ _Details . save_ save_ProcheckNMR _Saveframe_category software _Name ProcheckNMR _Version . loop_ _Vendor _Address _Electronic_address 'Laskowski and MacArthur' . . stop_ loop_ _Task refinement stop_ _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_Bruker _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model Avance _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_1H-15N_NOESY_2 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-15N NOESY' _Sample_label $sample_1 save_ save_3D_1H-15N_TOCSY_3 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-15N TOCSY' _Sample_label $sample_1 save_ save_3D_HNCA_4 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCA' _Sample_label $sample_1 save_ save_3D_HN(CO)CA_5 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HN(CO)CA' _Sample_label $sample_1 save_ save_3D_HNHA_6 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNHA' _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 temperature 310 . K pH 6.0 . pH pressure 1 . atm 'ionic strength' 0.12 . M 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 H 1 'methyl protons' ppm 0.00 internal direct . . . 1.000000000 DSS C 13 'methyl protons' ppm 0.00 na indirect . . . 0.251449530 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 1H-15N NOESY' '3D 1H-15N TOCSY' '3D HNCA' '3D HN(CO)CA' 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 entity _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 -2 3 LEU H H 8.057 0.014 1 2 -2 3 LEU HA H 4.230 0.028 1 3 -2 3 LEU CA C 56.876 0.179 1 4 -2 3 LEU N N 117.223 0.106 1 5 -1 4 GLY H H 7.984 0.014 1 6 -1 4 GLY HA2 H 3.985 0.028 2 7 -1 4 GLY HA3 H 3.985 0.028 2 8 -1 4 GLY CA C 46.612 0.179 1 9 -1 4 GLY N N 106.874 0.106 1 10 0 5 SER H H 8.006 0.014 1 11 0 5 SER HA H 4.457 0.028 1 12 0 5 SER CA C 60.079 0.179 1 13 0 5 SER N N 115.918 0.106 1 14 211 6 ILE H H 7.884 0.014 1 15 211 6 ILE HA H 4.123 0.028 1 16 211 6 ILE CA C 63.567 0.179 1 17 211 6 ILE N N 121.724 0.106 1 18 212 7 LYS H H 7.889 0.014 1 19 212 7 LYS HA H 4.108 0.028 1 20 212 7 LYS CA C 58.402 0.179 1 21 212 7 LYS N N 118.975 0.106 1 22 213 8 GLU H H 7.706 0.014 1 23 213 8 GLU HA H 4.234 0.028 1 24 213 8 GLU CA C 56.825 0.179 1 25 213 8 GLU N N 117.397 0.106 1 26 214 9 LEU H H 7.762 0.014 1 27 214 9 LEU HA H 4.242 0.028 1 28 214 9 LEU CA C 56.082 0.179 1 29 214 9 LEU N N 121.336 0.106 1 30 215 10 LYS H H 8.028 0.014 1 31 215 10 LYS CA C 57.321 0.179 1 32 215 10 LYS N N 119.288 0.106 1 33 216 11 MET H H 7.704 0.014 1 34 216 11 MET CA C 55.769 0.179 1 35 216 11 MET N N 118.857 0.106 1 36 217 12 SER H H 7.976 0.014 1 37 217 12 SER HA H 4.712 0.028 1 38 217 12 SER CA C 57.381 0.179 1 39 217 12 SER N N 114.896 0.106 1 40 218 13 LYS H H 8.340 0.014 1 41 218 13 LYS CA C 59.747 0.179 1 42 218 13 LYS N N 122.161 0.106 1 43 219 14 ASP H H 8.270 0.014 1 44 219 14 ASP CA C 56.885 0.179 1 45 219 14 ASP N N 117.236 0.106 1 46 220 15 GLU H H 7.793 0.014 1 47 220 15 GLU HA H 4.221 0.028 1 48 220 15 GLU CA C 58.214 0.179 1 49 220 15 GLU N N 120.135 0.106 1 50 221 16 ILE H H 7.914 0.014 1 51 221 16 ILE HA H 3.818 0.028 1 52 221 16 ILE CA C 64.473 0.179 1 53 221 16 ILE N N 120.312 0.106 1 54 222 17 LYS H H 8.023 0.014 1 55 222 17 LYS HA H 4.154 0.028 1 56 222 17 LYS CA C 59.674 0.179 1 57 222 17 LYS N N 119.364 0.106 1 58 223 18 ARG H H 7.745 0.014 1 59 223 18 ARG HA H 4.411 0.028 1 60 223 18 ARG CA C 58.795 0.179 1 61 223 18 ARG N N 118.474 0.106 1 62 224 19 GLU H H 8.204 0.014 1 63 224 19 GLU CA C 58.213 0.179 1 64 224 19 GLU N N 118.550 0.106 1 65 225 20 TYR H H 8.333 0.014 1 66 225 20 TYR HA H 4.252 0.028 1 67 225 20 TYR CA C 61.040 0.179 1 68 225 20 TYR N N 119.626 0.106 1 69 226 21 LYS H H 7.976 0.014 1 70 226 21 LYS HA H 3.958 0.028 1 71 226 21 LYS CA C 57.890 0.179 1 72 226 21 LYS N N 118.110 0.106 1 73 227 22 GLU H H 7.866 0.014 1 74 227 22 GLU HA H 4.188 0.028 1 75 227 22 GLU CA C 57.241 0.179 1 76 227 22 GLU N N 117.719 0.106 1 77 228 23 MET H H 7.683 0.014 1 78 228 23 MET CA C 56.556 0.179 1 79 228 23 MET N N 119.119 0.106 1 80 229 24 GLU H H 8.139 0.014 1 81 229 24 GLU HA H 4.138 0.028 1 82 229 24 GLU CA C 57.153 0.179 1 83 229 24 GLU N N 120.999 0.106 1 84 230 25 GLY H H 8.123 0.014 1 85 230 25 GLY HA2 H 3.964 0.028 2 86 230 25 GLY HA3 H 3.964 0.028 2 87 230 25 GLY CA C 45.003 0.179 1 88 230 25 GLY N N 108.965 0.106 1 89 231 26 SER H H 7.931 0.014 1 90 231 26 SER HA H 4.771 0.028 1 91 231 26 SER CA C 56.111 0.179 1 92 231 26 SER N N 115.944 0.106 1 93 233 28 GLU H H 8.385 0.014 1 94 233 28 GLU HA H 4.266 0.028 1 95 233 28 GLU CA C 57.838 0.179 1 96 233 28 GLU N N 119.071 0.106 1 97 234 29 ILE H H 7.773 0.014 1 98 234 29 ILE CA C 63.303 0.179 1 99 234 29 ILE N N 120.601 0.106 1 100 235 30 LYS H H 8.020 0.014 1 101 235 30 LYS HA H 4.209 0.028 1 102 235 30 LYS CA C 59.121 0.179 1 103 235 30 LYS N N 120.451 0.106 1 104 236 31 SER H H 7.962 0.014 1 105 236 31 SER HA H 4.293 0.028 1 106 236 31 SER CA C 60.452 0.179 1 107 236 31 SER N N 113.609 0.106 1 108 237 32 LYS H H 7.919 0.014 1 109 237 32 LYS CA C 57.883 0.179 1 110 237 32 LYS N N 122.074 0.106 1 111 238 33 ARG H H 8.138 0.014 1 112 238 33 ARG HA H 4.058 0.028 1 113 238 33 ARG CA C 58.860 0.179 1 114 238 33 ARG N N 118.978 0.106 1 115 239 34 ARG H H 7.919 0.014 1 116 239 34 ARG HA H 4.143 0.028 1 117 239 34 ARG CA C 58.093 0.179 1 118 239 34 ARG N N 118.881 0.106 1 119 240 35 GLN H H 8.014 0.014 1 120 240 35 GLN CA C 57.592 0.179 1 121 240 35 GLN N N 119.222 0.106 1 122 241 36 PHE H H 8.280 0.014 1 123 241 36 PHE HA H 4.370 0.028 1 124 241 36 PHE CA C 59.810 0.179 1 125 241 36 PHE N N 120.243 0.106 1 126 242 37 HIS H H 8.457 0.014 1 127 242 37 HIS CA C 57.801 0.179 1 128 242 37 HIS N N 117.219 0.106 1 129 243 38 GLN H H 8.077 0.014 1 130 243 38 GLN CA C 57.882 0.179 1 131 243 38 GLN N N 118.125 0.106 1 132 244 39 GLU H H 8.195 0.014 1 133 244 39 GLU HA H 4.080 0.028 1 134 244 39 GLU CA C 57.989 0.179 1 135 244 39 GLU N N 119.972 0.106 1 136 245 40 ILE H H 8.004 0.014 1 137 245 40 ILE CA C 63.401 0.179 1 138 245 40 ILE N N 119.490 0.106 1 139 246 41 GLN H H 8.045 0.014 1 140 246 41 GLN HA H 4.277 0.028 1 141 246 41 GLN CA C 57.798 0.179 1 142 246 41 GLN N N 120.075 0.106 1 143 247 42 SER H H 7.922 0.014 1 144 247 42 SER HA H 4.375 0.028 1 145 247 42 SER CA C 59.540 0.179 1 146 247 42 SER N N 114.107 0.106 1 147 248 43 ARG H H 7.757 0.014 1 148 248 43 ARG CA C 56.071 0.179 1 149 248 43 ARG N N 120.466 0.106 1 150 249 44 ASN H H 8.178 0.014 1 151 249 44 ASN HA H 4.748 0.028 1 152 249 44 ASN CA C 53.204 0.179 1 153 249 44 ASN N N 117.681 0.106 1 154 250 45 MET H H 8.388 0.014 1 155 250 45 MET HA H 4.262 0.028 1 156 250 45 MET CA C 58.246 0.179 1 157 250 45 MET N N 119.723 0.106 1 158 251 46 ARG H H 8.207 0.014 1 159 251 46 ARG HA H 4.022 0.028 1 160 251 46 ARG CA C 58.358 0.179 1 161 251 46 ARG N N 117.005 0.106 1 162 252 47 GLU H H 7.701 0.014 1 163 252 47 GLU CA C 57.568 0.179 1 164 252 47 GLU N N 117.352 0.106 1 165 253 48 ASN H H 7.913 0.014 1 166 253 48 ASN HA H 4.700 0.028 1 167 253 48 ASN CA C 54.255 0.179 1 168 253 48 ASN N N 116.356 0.106 1 169 254 49 VAL H H 7.710 0.014 1 170 254 49 VAL CA C 63.314 0.179 1 171 254 49 VAL N N 118.438 0.106 1 172 255 50 LYS H H 7.894 0.014 1 173 255 50 LYS CA C 56.720 0.179 1 174 255 50 LYS N N 122.175 0.106 1 175 256 51 ARG H H 7.944 0.014 1 176 256 51 ARG HA H 4.318 0.028 1 177 256 51 ARG CA C 56.654 0.179 1 178 256 51 ARG N N 119.935 0.106 1 179 257 52 SER H H 8.060 0.014 1 180 257 52 SER HA H 4.432 0.028 1 181 257 52 SER CA C 58.820 0.179 1 182 257 52 SER N N 114.974 0.106 1 183 258 53 SER H H 8.095 0.014 1 184 258 53 SER HA H 4.475 0.028 1 185 258 53 SER CA C 58.688 0.179 1 186 258 53 SER N N 116.707 0.106 1 187 259 54 VAL H H 7.843 0.014 1 188 259 54 VAL HA H 4.098 0.028 1 189 259 54 VAL CA C 62.802 0.179 1 190 259 54 VAL N N 120.429 0.106 1 191 260 55 VAL H H 7.891 0.014 1 192 260 55 VAL CA C 62.470 0.179 1 193 260 55 VAL N N 122.090 0.106 1 194 261 56 VAL H H 7.990 0.014 1 195 261 56 VAL HA H 4.116 0.028 1 196 261 56 VAL CA C 62.061 0.179 1 197 261 56 VAL N N 123.189 0.106 1 198 262 57 ALA H H 8.161 0.014 1 199 262 57 ALA HA H 4.380 0.028 1 200 262 57 ALA CA C 52.178 0.179 1 201 262 57 ALA N N 128.015 0.106 1 202 263 58 ASN H H 7.880 0.014 1 203 263 58 ASN HA H 4.463 0.028 1 204 263 58 ASN CA C 54.598 0.179 1 205 263 58 ASN N N 124.032 0.106 1 stop_ save_