data_17630 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Backbone 1H, 13C, and 15N Chemical Shift Assignments for Human Just Another Zinc Finger Protein residues 23-117 ; _BMRB_accession_number 17630 _BMRB_flat_file_name bmr17630.str _Entry_type original _Submission_date 2011-05-08 _Accession_date 2011-05-08 _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 Burge Russell G. . 2 Martinez-Yamout Maria A. . 3 Gottesfeld Joel M. . 4 Dyson H. J. . 5 Wright Peter E. . 6 Dyson Jane H. . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 65 "13C chemical shifts" 72 "15N chemical shifts" 64 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2014-02-26 update BMRB 'update entry citation' 2014-02-24 original author 'original release' stop_ loop_ _Related_BMRB_accession_number _Relationship 17631 'JAZ ZF2' stop_ save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full . _Citation_title 'Structural Characterization of Interactions between the Double-Stranded RNA-Binding Zinc Finger Protein JAZ and Nucleic Acids.' _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 24521053 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Burge Russell G. . 2 Martinez-Yamout Maria A. . 3 Dyson 'H. Jane' . . 4 Wright Peter E. . stop_ _Journal_abbreviation Biochemistry _Journal_name_full Biochemistry _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 2014 _Details . loop_ _Keyword dsRNA 'Just Another Zinc finger' 'RNA-protein interactions' 'Zinc Finger protein a' stop_ save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name 'JAZ ZF1' _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label 'JAZ ZF1' $JAZ_ZF1 'zinc ion' $ZN 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_JAZ_ZF1 _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common JAZ_ZF1 _Molecular_mass . _Mol_thiol_state 'free and other bound' loop_ _Biological_function dsRNA-binding stop_ _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 95 _Mol_residue_sequence ; SELLEGQEPDGVRFDRERAR RLWEAVSGAQPVGREEVEHM IQKNQCLFTNTQCKVCCALL ISESQKLAHYQSKKHANKVK RYLAIHGMETLKGET ; loop_ _Residue_seq_code _Residue_author_seq_code _Residue_label 1 23 SER 2 24 GLU 3 25 LEU 4 26 LEU 5 27 GLU 6 28 GLY 7 29 GLN 8 30 GLU 9 31 PRO 10 32 ASP 11 33 GLY 12 34 VAL 13 35 ARG 14 36 PHE 15 37 ASP 16 38 ARG 17 39 GLU 18 40 ARG 19 41 ALA 20 42 ARG 21 43 ARG 22 44 LEU 23 45 TRP 24 46 GLU 25 47 ALA 26 48 VAL 27 49 SER 28 50 GLY 29 51 ALA 30 52 GLN 31 53 PRO 32 54 VAL 33 55 GLY 34 56 ARG 35 57 GLU 36 58 GLU 37 59 VAL 38 60 GLU 39 61 HIS 40 62 MET 41 63 ILE 42 64 GLN 43 65 LYS 44 66 ASN 45 67 GLN 46 68 CYS 47 69 LEU 48 70 PHE 49 71 THR 50 72 ASN 51 73 THR 52 74 GLN 53 75 CYS 54 76 LYS 55 77 VAL 56 78 CYS 57 79 CYS 58 80 ALA 59 81 LEU 60 82 LEU 61 83 ILE 62 84 SER 63 85 GLU 64 86 SER 65 87 GLN 66 88 LYS 67 89 LEU 68 90 ALA 69 91 HIS 70 92 TYR 71 93 GLN 72 94 SER 73 95 LYS 74 96 LYS 75 97 HIS 76 98 ALA 77 99 ASN 78 100 LYS 79 101 VAL 80 102 LYS 81 103 ARG 82 104 TYR 83 105 LEU 84 106 ALA 85 107 ILE 86 108 HIS 87 109 GLY 88 110 MET 89 111 GLU 90 112 THR 91 113 LEU 92 114 LYS 93 115 GLY 94 116 GLU 95 117 THR stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date 2015-10-14 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 DBJ BAG72878 "zinc finger protein 346 [synthetic construct]" 100.00 294 100.00 100.00 1.04e-61 DBJ BAH13202 "unnamed protein product [Homo sapiens]" 100.00 131 100.00 100.00 4.15e-63 DBJ BAH13338 "unnamed protein product [Homo sapiens]" 100.00 135 100.00 100.00 2.24e-63 EMBL CAH18475 "hypothetical protein [Homo sapiens]" 100.00 294 100.00 100.00 1.04e-61 EMBL CAH93198 "hypothetical protein [Pongo abelii]" 100.00 310 100.00 100.00 1.55e-61 EMBL CAL37677 "hypothetical protein [synthetic construct]" 100.00 294 100.00 100.00 1.04e-61 EMBL CAL38643 "hypothetical protein, partial [synthetic construct]" 100.00 294 100.00 100.00 1.04e-61 GB AAD52018 "double-stranded RNA-binding zinc finger protein JAZ [Homo sapiens]" 100.00 294 100.00 100.00 1.04e-61 GB AAH07775 "Zinc finger protein 346 [Homo sapiens]" 100.00 294 100.00 100.00 1.04e-61 GB AIC50988 "ZNF346, partial [synthetic construct]" 100.00 294 100.00 100.00 1.04e-61 GB EAW85038 "zinc finger protein 346, isoform CRA_a [Homo sapiens]" 100.00 232 100.00 100.00 1.60e-62 GB EAW85039 "zinc finger protein 346, isoform CRA_b [Homo sapiens]" 100.00 135 100.00 100.00 2.24e-63 REF NP_001126881 "zinc finger protein 346 [Pongo abelii]" 100.00 310 100.00 100.00 1.55e-61 REF NP_001295144 "zinc finger protein 346 isoform d [Homo sapiens]" 100.00 232 100.00 100.00 1.60e-62 REF NP_001295145 "zinc finger protein 346 isoform e [Homo sapiens]" 100.00 205 100.00 100.00 2.09e-62 REF NP_001295148 "zinc finger protein 346 isoform g [Homo sapiens]" 100.00 194 100.00 100.00 1.30e-62 REF NP_036411 "zinc finger protein 346 isoform a [Homo sapiens]" 100.00 294 100.00 100.00 1.04e-61 SP Q5R4W8 "RecName: Full=Zinc finger protein 346" 100.00 310 100.00 100.00 1.55e-61 SP Q9UL40 "RecName: Full=Zinc finger protein 346; AltName: Full=Just another zinc finger protein" 100.00 294 100.00 100.00 1.04e-61 stop_ save_ ############# # Ligands # ############# save_ZN _Saveframe_category ligand _Mol_type non-polymer _Name_common "ZN (ZINC ION)" _BMRB_code . _PDB_code ZN _Molecular_mass 65.409 _Mol_charge 2 _Mol_paramagnetic no _Mol_aromatic no _Details ; Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Mon May 9 13:43:32 2011 ; loop_ _Atom_name _PDB_atom_name _Atom_type _Atom_chirality _Atom_charge _Atom_oxidation_number _Atom_unpaired_electrons ZN ZN ZN . 2 . ? stop_ _Mol_thiol_state 'not present' _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 $JAZ_ZF1 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 $JAZ_ZF1 'recombinant technology' . Escherichia coli . pET21a 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 _Concentration_min_value _Concentration_max_value _Isotopic_labeling $JAZ_ZF1 . uM 250 300 '[U-99% 13C; U-99% 15N]' TRIS 25 mM . . 'natural abundance' 'potassium chloride' 50 mM . . 'natural abundance' D2O 7 % . . '[U-99% 2H]' DTT 2 mM . . 'natural abundance' $ZN 50 uM . . 'natural abundance' H2O 93 % . . 'natural abundance' stop_ save_ ############################ # Computer software used # ############################ save_NMRView _Saveframe_category software _Name NMRView _Version . loop_ _Vendor _Address _Electronic_address 'Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax' . . 'Johnson, One Moon Scientific' . . stop_ loop_ _Task 'chemical shift assignment' processing stop_ _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model DRX _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_HNCA_2 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCA' _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_HN(CO)CA_4 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HN(CO)CA' _Sample_label $sample_1 save_ save_3D_CBCA(CO)NH_5 _Saveframe_category NMR_applied_experiment _Experiment_name '3D CBCA(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' 75 . mM pH 7.3 . 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 external indirect . . . 0.251449530 DSS H 1 'methyl protons' ppm 0 external direct . . . 1.0 DSS N 15 'methyl protons' ppm 0 external 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 HNCA' '3D HNCACB' '3D HN(CO)CA' '3D CBCA(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 'JAZ ZF1' _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 23 1 SER CA C 58.68 0.1 1 2 24 2 GLU H H 8.666 0.01 1 3 24 2 GLU CA C 56.64 0.1 1 4 24 2 GLU N N 122.634 0.2 1 5 25 3 LEU H H 8.08 0.01 1 6 25 3 LEU CA C 55.1 0.1 1 7 25 3 LEU N N 122.251 0.2 1 8 26 4 LEU H H 8.055 0.01 1 9 26 4 LEU CA C 54.7 0.1 1 10 26 4 LEU N N 122.683 0.2 1 11 27 5 GLU H H 8.283 0.01 1 12 27 5 GLU CA C 56.79 0.1 1 13 27 5 GLU N N 121.625 0.2 1 14 28 6 GLY H H 8.47 0.01 1 15 28 6 GLY CA C 45.24 0.1 1 16 28 6 GLY N N 110.391 0.2 1 17 29 7 GLN H H 8.099 0.01 1 18 29 7 GLN CA C 55.21 0.1 1 19 29 7 GLN N N 119.536 0.2 1 20 30 8 GLU H H 8.526 0.01 1 21 30 8 GLU CA C 54.6 0.1 1 22 30 8 GLU N N 123.358 0.2 1 23 31 9 PRO CA C 62.23 0.1 1 24 32 10 ASP H H 8.435 0.01 1 25 32 10 ASP CA C 54.82 0.1 1 26 32 10 ASP N N 120.142 0.2 1 27 33 11 GLY H H 8.279 0.01 1 28 33 11 GLY CA C 45.68 0.1 1 29 33 11 GLY N N 108.517 0.2 1 30 34 12 VAL H H 7.729 0.01 1 31 34 12 VAL CA C 63.008 0.1 1 32 34 12 VAL N N 119.782 0.2 1 33 35 13 ARG H H 8.166 0.01 1 34 35 13 ARG CA C 56.59 0.1 1 35 35 13 ARG N N 123.408 0.2 1 36 36 14 PHE H H 8.376 0.01 1 37 36 14 PHE CA C 58.33 0.1 1 38 36 14 PHE N N 122.221 0.2 1 39 40 18 ARG CA C 58.841 0.1 1 40 41 19 ALA H H 8.031 0.01 1 41 41 19 ALA CA C 54.98 0.1 1 42 41 19 ALA N N 121.449 0.2 1 43 42 20 ARG H H 8.041 0.01 1 44 42 20 ARG CA C 59.14 0.1 1 45 42 20 ARG N N 119.103 0.2 1 46 43 21 ARG H H 7.91 0.01 1 47 43 21 ARG CA C 53.75 0.1 1 48 43 21 ARG N N 118.222 0.2 1 49 48 26 VAL CA C 61.94 0.1 1 50 49 27 SER H H 7.663 0.01 1 51 49 27 SER CA C 59.92 0.1 1 52 49 27 SER N N 116.568 0.2 1 53 50 28 GLY H H 7.902 0.01 1 54 50 28 GLY CA C 44.91 0.1 1 55 50 28 GLY N N 110.388 0.2 1 56 51 29 ALA H H 8.084 0.01 1 57 51 29 ALA CA C 52.44 0.1 1 58 51 29 ALA N N 123.219 0.2 1 59 52 30 GLN H H 8.099 0.01 1 60 52 30 GLN CA C 59.63 0.1 1 61 52 30 GLN N N 119.536 0.2 1 62 53 31 PRO CA C 62.623 0.1 1 63 54 32 VAL H H 8.457 0.01 1 64 54 32 VAL CA C 62.173 0.1 1 65 54 32 VAL N N 121.652 0.2 1 66 55 33 GLY H H 8.256 0.01 1 67 55 33 GLY CA C 44.008 0.1 1 68 55 33 GLY N N 113.087 0.2 1 69 56 34 ARG H H 8.442 0.01 1 70 56 34 ARG CA C 59.826 0.1 1 71 56 34 ARG N N 119.204 0.2 1 72 57 35 GLU H H 8.805 0.01 1 73 57 35 GLU CA C 59.701 0.1 1 74 57 35 GLU N N 118.743 0.2 1 75 71 49 THR H H 8.223 0.01 1 76 71 49 THR CA C 58.54 0.1 1 77 71 49 THR N N 109.344 0.2 1 78 72 50 ASN H H 8.961 0.01 1 79 72 50 ASN CA C 55.66 0.1 1 80 72 50 ASN N N 116.936 0.2 1 81 73 51 THR H H 7.696 0.01 1 82 73 51 THR CA C 60.88 0.1 1 83 73 51 THR N N 126.903 0.2 1 84 74 52 GLN H H 7.649 0.01 1 85 74 52 GLN CA C 55.43 0.1 1 86 74 52 GLN N N 122.971 0.2 1 87 75 53 CYS H H 8.408 0.01 1 88 75 53 CYS CA C 58.69 0.1 1 89 75 53 CYS N N 127.025 0.2 1 90 76 54 LYS H H 9.186 0.01 1 91 76 54 LYS CA C 58.76 0.1 1 92 76 54 LYS N N 127.796 0.2 1 93 77 55 VAL H H 7.674 0.01 1 94 77 55 VAL CA C 65.65 0.1 1 95 77 55 VAL N N 119.185 0.2 1 96 78 56 CYS H H 8.704 0.01 1 97 78 56 CYS CA C 60.34 0.1 1 98 78 56 CYS N N 120.319 0.2 1 99 79 57 CYS H H 7.848 0.01 1 100 79 57 CYS CA C 59.9 0.1 1 101 79 57 CYS N N 116.354 0.2 1 102 80 58 ALA H H 7.451 0.01 1 103 80 58 ALA CA C 49.83 0.1 1 104 80 58 ALA N N 120.593 0.2 1 105 81 59 LEU H H 8.451 0.01 1 106 81 59 LEU CA C 54.3 0.1 1 107 81 59 LEU N N 124.977 0.2 1 108 82 60 LEU H H 8.12 0.01 1 109 82 60 LEU CA C 52.633 0.1 1 110 82 60 LEU N N 125.675 0.2 1 111 83 61 ILE H H 8.125 0.01 1 112 83 61 ILE CA C 61.87 0.1 1 113 83 61 ILE N N 116.564 0.2 1 114 84 62 SER H H 8.125 0.01 1 115 84 62 SER CA C 55.89 0.1 1 116 84 62 SER N N 113.324 0.2 1 117 85 63 GLU H H 7.814 0.01 1 118 87 65 GLN H H 7.387 0.01 1 119 87 65 GLN CA C 58.694 0.1 1 120 87 65 GLN N N 122.864 0.2 1 121 88 66 LYS H H 8.323 0.01 1 122 88 66 LYS CA C 59.904 0.1 1 123 88 66 LYS N N 121.888 0.2 1 124 89 67 LEU H H 8.213 0.01 1 125 89 67 LEU CA C 58.232 0.1 1 126 89 67 LEU N N 118.123 0.2 1 127 90 68 ALA H H 7.746 0.01 1 128 90 68 ALA CA C 54.5 0.1 1 129 90 68 ALA N N 118.219 0.2 1 130 91 69 HIS H H 8.303 0.01 1 131 91 69 HIS CA C 60.58 0.1 1 132 91 69 HIS N N 115.77 0.2 1 133 92 70 TYR H H 7.887 0.01 1 134 92 70 TYR CA C 61.11 0.1 1 135 92 70 TYR N N 116.614 0.2 1 136 93 71 GLN H H 7.374 0.01 1 137 93 71 GLN CA C 56.192 0.1 1 138 93 71 GLN N N 114.647 0.2 1 139 94 72 SER H H 7.337 0.01 1 140 94 72 SER CA C 58.991 0.1 1 141 94 72 SER N N 115.451 0.2 1 142 95 73 LYS CA C 58.46 0.1 1 143 96 74 LYS H H 8.356 0.01 1 144 96 74 LYS CA C 59.98 0.1 1 145 96 74 LYS N N 118.738 0.2 1 146 97 75 HIS H H 7.212 0.01 1 147 97 75 HIS CA C 59.77 0.1 1 148 97 75 HIS N N 117.237 0.2 1 149 98 76 ALA H H 7.364 0.01 1 150 98 76 ALA CA C 55.51 0.1 1 151 98 76 ALA N N 121.172 0.2 1 152 99 77 ASN H H 8.502 0.01 1 153 99 77 ASN CA C 55.55 0.1 1 154 99 77 ASN N N 115.609 0.2 1 155 101 79 VAL CA C 67.04 0.1 1 156 102 80 LYS H H 8.133 0.01 1 157 102 80 LYS CA C 60.503 0.1 1 158 102 80 LYS N N 119.73 0.2 1 159 103 81 ARG H H 7.643 0.01 1 160 103 81 ARG CA C 58.76 0.1 1 161 103 81 ARG N N 118.479 0.2 1 162 104 82 TYR CA C 61.71 0.1 1 163 105 83 LEU H H 8.621 0.01 1 164 105 83 LEU CA C 57.484 0.1 1 165 105 83 LEU N N 118.748 0.2 1 166 106 84 ALA H H 7.887 0.01 1 167 106 84 ALA CA C 54.752 0.1 1 168 106 84 ALA N N 121.818 0.2 1 169 107 85 ILE H H 7.821 0.01 1 170 107 85 ILE CA C 63.4 0.1 1 171 107 85 ILE N N 117.325 0.2 1 172 108 86 HIS H H 7.46 0.01 1 173 108 86 HIS CA C 56.95 0.1 1 174 108 86 HIS N N 117.125 0.2 1 175 109 87 GLY H H 7.782 0.01 1 176 109 87 GLY CA C 45.99 0.1 1 177 109 87 GLY N N 107.589 0.2 1 178 110 88 MET H H 8.041 0.01 1 179 110 88 MET CA C 55.132 0.1 1 180 110 88 MET N N 119.103 0.2 1 181 111 89 GLU H H 8.356 0.01 1 182 111 89 GLU CA C 56.951 0.1 1 183 111 89 GLU N N 121.021 0.2 1 184 112 90 THR H H 7.917 0.01 1 185 112 90 THR CA C 61.8 0.1 1 186 112 90 THR N N 114.366 0.2 1 187 113 91 LEU H H 8.114 0.01 1 188 113 91 LEU CA C 54.902 0.1 1 189 113 91 LEU N N 124.189 0.2 1 190 114 92 LYS H H 8.216 0.01 1 191 114 92 LYS CA C 56.42 0.1 1 192 114 92 LYS N N 122.207 0.2 1 193 115 93 GLY H H 8.325 0.01 1 194 115 93 GLY CA C 44.99 0.1 1 195 115 93 GLY N N 110.313 0.2 1 196 116 94 GLU H H 8.236 0.01 1 197 116 94 GLU CA C 56.492 0.1 1 198 116 94 GLU N N 120.745 0.2 1 199 117 95 THR H H 7.79 0.01 1 200 117 95 THR CA C 63.23 0.1 1 201 117 95 THR N N 119.657 0.2 1 stop_ save_