data_11378 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Solution structure of the third zinc finger domain of Zinc finger protein 278 ; _BMRB_accession_number 11378 _BMRB_flat_file_name bmr11378.str _Entry_type original _Submission_date 2010-09-08 _Accession_date 2010-09-08 _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 Tanabe W. . . 2 Suzuki S. . . 3 Muto Y. . . 4 Inoue M. . . 5 Kigawa T. . . 6 Terada T. . . 7 Shirouzu M. . . 8 Yokoyama S. . . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 213 "13C chemical shifts" 159 "15N chemical shifts" 33 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2011-09-07 original author . stop_ _Original_release_date 2011-09-07 save_ ############################# # Citation for this entry # ############################# save_citation_1 _Saveframe_category entry_citation _Citation_full . _Citation_title 'Solution structure of the third zinc finger domain of Zinc finger protein 278' _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 Tanabe W. . . 2 Suzuki S. . . 3 Muto Y. . . 4 Inoue M. . . 5 Kigawa T. . . 6 Terada T. . . 7 Shirouzu M. . . 8 Yokoyama S. . . stop_ _Journal_abbreviation . _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 'POZ-, AT hook-, and zinc finger-containing protein 1' _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label 'zinc finger domain' $entity_1 '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_entity_1 _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common 'zinc finger domain' _Molecular_mass . _Mol_thiol_state 'all other bound' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 45 _Mol_residue_sequence ; GSSGSSGEKPYSCPVCGLRF KRKDRMSYHVRSHDGSVGKS GPSSG ; loop_ _Residue_seq_code _Residue_label 1 GLY 2 SER 3 SER 4 GLY 5 SER 6 SER 7 GLY 8 GLU 9 LYS 10 PRO 11 TYR 12 SER 13 CYS 14 PRO 15 VAL 16 CYS 17 GLY 18 LEU 19 ARG 20 PHE 21 LYS 22 ARG 23 LYS 24 ASP 25 ARG 26 MET 27 SER 28 TYR 29 HIS 30 VAL 31 ARG 32 SER 33 HIS 34 ASP 35 GLY 36 SER 37 VAL 38 GLY 39 LYS 40 SER 41 GLY 42 PRO 43 SER 44 SER 45 GLY stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date 2015-01-31 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 BMRB 11414 "C2H2 domain" 75.56 95 100.00 100.00 1.31e-14 PDB 2EPQ "Solution Structure Of The Third Zinc Finger Domain Of Zinc Finger Protein 278" 100.00 45 100.00 100.00 1.83e-21 PDB 2YT9 "Solution Structure Of C2h2 Type Zinc Finger Domain 345 In Zinc Finger Protein 278" 75.56 95 100.00 100.00 1.31e-14 DBJ BAA90874 "transcription factor MAZR [Mus musculus]" 75.56 641 100.00 100.00 8.43e-14 DBJ BAD92024 "zinc finger protein 278 long A isoform variant [Homo sapiens]" 75.56 651 100.00 100.00 8.48e-14 DBJ BAE38619 "unnamed protein product [Mus musculus]" 75.56 537 100.00 100.00 5.34e-14 DBJ BAF84492 "unnamed protein product [Homo sapiens]" 75.56 537 100.00 100.00 5.83e-14 DBJ BAG10581 "POZ-, AT hook-, and zinc finger-containing protein 1 [synthetic construct]" 75.56 641 100.00 100.00 8.76e-14 EMBL CAB51404 "hypothetical protein [Homo sapiens]" 75.56 616 100.00 100.00 8.66e-14 EMBL CAG30499 "ZNF278 [Homo sapiens]" 75.56 641 100.00 100.00 8.85e-14 EMBL CAK54641 "ZNF278 [synthetic construct]" 75.56 641 100.00 100.00 8.85e-14 EMBL CAK54940 "ZNF278 [synthetic construct]" 75.56 641 100.00 100.00 8.85e-14 GB AAF01349 "similar to zinc finger protein MAZ [Homo sapiens]; similar to AAB04121.1 (PID:g995935) [Homo sapiens]" 75.56 641 100.00 100.00 8.85e-14 GB AAF32518 "PATZ [Homo sapiens]" 75.56 537 97.06 100.00 1.67e-13 GB AAF99602 "krueppel-related zinc finger protein SBZF5 [Homo sapiens]" 75.56 424 100.00 100.00 4.24e-14 GB AAG09031 "zinc finger sarcoma gene short isoform [Homo sapiens]" 75.56 537 100.00 100.00 5.67e-14 GB AAG09032 "zinc finger sarcoma gene long A isoform [Homo sapiens]" 75.56 641 100.00 100.00 8.85e-14 REF NP_001100701 "POZ-, AT hook-, and zinc finger-containing protein 1 isoform 1 [Rattus norvegicus]" 75.56 641 100.00 100.00 8.59e-14 REF NP_001164822 "POZ-, AT hook-, and zinc finger-containing protein 1 [Oryctolagus cuniculus]" 75.56 687 100.00 100.00 1.07e-13 REF NP_001178126 "POZ-, AT hook-, and zinc finger-containing protein 1 [Bos taurus]" 75.56 687 100.00 100.00 1.03e-13 REF NP_001240619 "POZ-, AT hook-, and zinc finger-containing protein 1 isoform 2 [Mus musculus]" 75.56 537 100.00 100.00 8.07e-14 REF NP_001240620 "POZ-, AT hook-, and zinc finger-containing protein 1 isoform 3 [Mus musculus]" 75.56 516 100.00 100.00 5.90e-14 SP Q9HBE1 "RecName: Full=POZ-, AT hook-, and zinc finger-containing protein 1; AltName: Full=BTB/POZ domain zinc finger transcription fact" 75.56 687 100.00 100.00 1.01e-13 TPG DAA20504 "TPA: POZ (BTB) and AT hook containing zinc finger 1 isoform 1 [Bos taurus]" 75.56 687 100.00 100.00 1.03e-13 TPG DAA20505 "TPA: POZ (BTB) and AT hook containing zinc finger 1 isoform 2 [Bos taurus]" 75.56 641 100.00 100.00 9.02e-14 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 . _Mol_aromatic no _Details ; Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Tue Jun 9 16:52:42 2009 ; 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 . _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 $entity_1 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_type _Vector_name $entity_1 'cell free synthesis' 'E. coli' Escherichia coli . plasmid P061204-01 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Saveframe_category sample _Sample_type solution _Details ; 0.97mM 13C-15N {PROTEIN;} 20mM d-Tris-HCl {(pH7.0);} 100mM {NaCl;} 1mM {d-DTT;} 0.02% {NaN3;} 0.05mM ZnCl2, 1mM {IDA;} 90% H2O, 10% D2O ; loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $entity_1 0.97 mM '[U-13C; U-15N]' d-Tris-HCl 20 mM 'natural abundance' NaCl 100 mM 'natural abundance' d-DTT 1 mM 'natural abundance' NaN3 0.02 % 'natural abundance' ZnCl2 0.05 mM 'natural abundance' IDA 1 mM 'natural abundance' H2O 90 % . D2O 10 % . stop_ save_ ############################ # Computer software used # ############################ save_XWINNMR _Saveframe_category software _Name xwinnmr _Version 3.5 loop_ _Vendor _Address _Electronic_address Bruker . . stop_ loop_ _Task collection stop_ _Details . save_ save_NMRPipe _Saveframe_category software _Name NMRPipe _Version 20060702 loop_ _Vendor _Address _Electronic_address 'Delaglio, F.' . . stop_ loop_ _Task processing stop_ _Details . save_ save_NMRView _Saveframe_category software _Name NMRView _Version 5.0.4 loop_ _Vendor _Address _Electronic_address 'Johnson, B.A.' . . stop_ loop_ _Task 'data analysis' stop_ _Details . save_ save_Kujira _Saveframe_category software _Name Kujira _Version 0.9820 loop_ _Vendor _Address _Electronic_address 'Kobayashi, N.' . . stop_ loop_ _Task 'data analysis' stop_ _Details . save_ save_CYANA _Saveframe_category software _Name CYANA _Version 2.1 loop_ _Vendor _Address _Electronic_address 'Guntert, P.' . . stop_ loop_ _Task refinement 'structure solution' stop_ _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model AVANCE _Field_strength 800 _Details . save_ ############################# # NMR applied experiments # ############################# save_3D_15N-separated_NOESY_1 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 15N-separated NOESY' _Sample_label $sample_1 save_ save_3D_13C-separated_NOESY_2 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 13C-separated NOESY' _Sample_label $sample_1 save_ ####################### # Sample conditions # ####################### save_condition_1 _Saveframe_category sample_conditions _Details . loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units 'ionic strength' 120 0.1 mM pH 7.0 0.05 pH pressure 1 0.001 atm temperature 298 0.1 K stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_reference_1 _Saveframe_category chemical_shift_reference _Details ; Chemical shift reference of 1H was based on the proton of water (4.784ppm at 298K) and then those of 15N and 13C were calculated based on their gyromagnetic ratios. ; 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 0.0 . indirect . . . 0.251449530 DSS H 1 'methyl protons' ppm 0.0 . indirect . . . 1.0 DSS N 15 'methyl protons' ppm 0.0 . 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_chemical_shift_1 _Saveframe_category assigned_chemical_shifts _Details . loop_ _Software_label $XWINNMR $NMRPipe $NMRView $Kujira $CYANA stop_ loop_ _Experiment_label '3D 15N-separated NOESY' '3D 13C-separated NOESY' stop_ loop_ _Sample_label $sample_1 stop_ _Sample_conditions_label $condition_1 _Chem_shift_reference_set_label $reference_1 _Mol_system_component_name 'zinc finger domain' _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 7 7 GLY HA2 H 3.936 0.030 2 2 7 7 GLY CA C 45.262 0.300 1 3 8 8 GLU H H 8.124 0.030 1 4 8 8 GLU HA H 4.183 0.030 1 5 8 8 GLU HB2 H 1.992 0.030 2 6 8 8 GLU HB3 H 1.940 0.030 2 7 8 8 GLU HG2 H 2.258 0.030 2 8 8 8 GLU HG3 H 2.215 0.030 2 9 8 8 GLU C C 176.295 0.300 1 10 8 8 GLU CA C 57.045 0.300 1 11 8 8 GLU CB C 30.411 0.300 1 12 8 8 GLU CG C 36.290 0.300 1 13 8 8 GLU N N 120.178 0.300 1 14 9 9 LYS H H 8.212 0.030 1 15 9 9 LYS HA H 4.570 0.030 1 16 9 9 LYS HB2 H 1.669 0.030 2 17 9 9 LYS HB3 H 1.446 0.030 2 18 9 9 LYS HD2 H 1.474 0.030 1 19 9 9 LYS HD3 H 1.474 0.030 1 20 9 9 LYS HE2 H 2.899 0.030 1 21 9 9 LYS HE3 H 2.899 0.030 1 22 9 9 LYS HG2 H 1.141 0.030 2 23 9 9 LYS HG3 H 1.364 0.030 2 24 9 9 LYS C C 174.058 0.300 1 25 9 9 LYS CA C 53.795 0.300 1 26 9 9 LYS CB C 33.857 0.300 1 27 9 9 LYS CD C 29.932 0.300 1 28 9 9 LYS CE C 42.364 0.300 1 29 9 9 LYS CG C 25.362 0.300 1 30 9 9 LYS N N 120.742 0.300 1 31 10 10 PRO HA H 4.282 0.030 1 32 10 10 PRO HB2 H 2.054 0.030 2 33 10 10 PRO HB3 H 1.140 0.030 2 34 10 10 PRO HD2 H 3.711 0.030 1 35 10 10 PRO HD3 H 3.711 0.030 1 36 10 10 PRO HG2 H 1.782 0.030 2 37 10 10 PRO HG3 H 1.525 0.030 2 38 10 10 PRO C C 176.321 0.300 1 39 10 10 PRO CA C 63.719 0.300 1 40 10 10 PRO CB C 32.451 0.300 1 41 10 10 PRO CD C 50.611 0.300 1 42 10 10 PRO CG C 26.542 0.300 1 43 11 11 TYR H H 7.773 0.030 1 44 11 11 TYR HA H 4.851 0.030 1 45 11 11 TYR HB2 H 3.237 0.030 2 46 11 11 TYR HB3 H 2.740 0.030 2 47 11 11 TYR HD1 H 6.997 0.030 1 48 11 11 TYR HD2 H 6.997 0.030 1 49 11 11 TYR HE1 H 6.914 0.030 1 50 11 11 TYR HE2 H 6.914 0.030 1 51 11 11 TYR C C 174.938 0.300 1 52 11 11 TYR CA C 57.148 0.300 1 53 11 11 TYR CB C 39.647 0.300 1 54 11 11 TYR CD1 C 133.099 0.300 1 55 11 11 TYR CD2 C 133.099 0.300 1 56 11 11 TYR CE1 C 118.498 0.300 1 57 11 11 TYR CE2 C 118.498 0.300 1 58 11 11 TYR N N 117.854 0.300 1 59 12 12 SER H H 8.746 0.030 1 60 12 12 SER HA H 5.318 0.030 1 61 12 12 SER HB2 H 3.597 0.030 2 62 12 12 SER HB3 H 3.549 0.030 2 63 12 12 SER C C 173.106 0.300 1 64 12 12 SER CA C 56.325 0.300 1 65 12 12 SER CB C 65.616 0.300 1 66 12 12 SER N N 116.877 0.300 1 67 13 13 CYS H H 9.320 0.030 1 68 13 13 CYS HA H 4.827 0.030 1 69 13 13 CYS HB2 H 3.081 0.030 2 70 13 13 CYS HB3 H 3.479 0.030 2 71 13 13 CYS C C 176.399 0.300 1 72 13 13 CYS CA C 56.984 0.300 1 73 13 13 CYS CB C 30.788 0.300 1 74 13 13 CYS N N 127.432 0.300 1 75 14 14 PRO HA H 4.511 0.030 1 76 14 14 PRO HB2 H 2.418 0.030 2 77 14 14 PRO HB3 H 2.090 0.030 2 78 14 14 PRO HD2 H 4.274 0.030 2 79 14 14 PRO HD3 H 4.193 0.030 2 80 14 14 PRO HG2 H 2.217 0.030 2 81 14 14 PRO HG3 H 2.081 0.030 2 82 14 14 PRO C C 176.421 0.300 1 83 14 14 PRO CA C 64.399 0.300 1 84 14 14 PRO CB C 32.399 0.300 1 85 14 14 PRO CD C 51.842 0.300 1 86 14 14 PRO CG C 27.024 0.300 1 87 15 15 VAL H H 8.924 0.030 1 88 15 15 VAL HA H 3.831 0.030 1 89 15 15 VAL HB H 1.270 0.030 1 90 15 15 VAL HG1 H 0.787 0.030 1 91 15 15 VAL HG2 H 0.294 0.030 1 92 15 15 VAL C C 176.943 0.300 1 93 15 15 VAL CA C 64.825 0.300 1 94 15 15 VAL CB C 33.091 0.300 1 95 15 15 VAL CG1 C 21.097 0.300 2 96 15 15 VAL CG2 C 19.965 0.300 2 97 15 15 VAL N N 121.740 0.300 1 98 16 16 CYS H H 8.400 0.030 1 99 16 16 CYS HA H 5.156 0.030 1 100 16 16 CYS HB2 H 3.464 0.030 2 101 16 16 CYS HB3 H 2.731 0.030 2 102 16 16 CYS C C 176.713 0.300 1 103 16 16 CYS CA C 58.402 0.300 1 104 16 16 CYS CB C 32.881 0.300 1 105 16 16 CYS N N 116.892 0.300 1 106 17 17 GLY H H 8.116 0.030 1 107 17 17 GLY HA2 H 4.234 0.030 2 108 17 17 GLY HA3 H 3.848 0.030 2 109 17 17 GLY C C 173.653 0.300 1 110 17 17 GLY CA C 46.356 0.300 1 111 17 17 GLY N N 112.920 0.300 1 112 18 18 LEU H H 8.015 0.030 1 113 18 18 LEU HA H 4.037 0.030 1 114 18 18 LEU HB2 H 1.455 0.030 2 115 18 18 LEU HB3 H 1.108 0.030 2 116 18 18 LEU HD1 H 0.538 0.030 1 117 18 18 LEU HD2 H 0.756 0.030 1 118 18 18 LEU HG H 1.311 0.030 1 119 18 18 LEU C C 175.504 0.300 1 120 18 18 LEU CA C 56.795 0.300 1 121 18 18 LEU CB C 43.494 0.300 1 122 18 18 LEU CD1 C 24.776 0.300 2 123 18 18 LEU CD2 C 23.814 0.300 2 124 18 18 LEU CG C 26.414 0.300 1 125 18 18 LEU N N 124.678 0.300 1 126 19 19 ARG H H 7.799 0.030 1 127 19 19 ARG HA H 5.194 0.030 1 128 19 19 ARG HB2 H 1.794 0.030 2 129 19 19 ARG HB3 H 1.555 0.030 2 130 19 19 ARG HD2 H 3.252 0.030 2 131 19 19 ARG HD3 H 3.147 0.030 2 132 19 19 ARG HG2 H 1.848 0.030 2 133 19 19 ARG HG3 H 1.434 0.030 2 134 19 19 ARG C C 176.024 0.300 1 135 19 19 ARG CA C 55.425 0.300 1 136 19 19 ARG CB C 32.826 0.300 1 137 19 19 ARG CD C 43.328 0.300 1 138 19 19 ARG CG C 28.424 0.300 1 139 19 19 ARG N N 121.036 0.300 1 140 20 20 PHE H H 8.894 0.030 1 141 20 20 PHE HA H 4.666 0.030 1 142 20 20 PHE HB2 H 2.589 0.030 2 143 20 20 PHE HB3 H 3.485 0.030 2 144 20 20 PHE HD1 H 7.271 0.030 1 145 20 20 PHE HD2 H 7.271 0.030 1 146 20 20 PHE HE1 H 6.919 0.030 1 147 20 20 PHE HE2 H 6.919 0.030 1 148 20 20 PHE HZ H 6.544 0.030 1 149 20 20 PHE C C 174.834 0.300 1 150 20 20 PHE CA C 57.428 0.300 1 151 20 20 PHE CB C 44.075 0.300 1 152 20 20 PHE CD1 C 132.329 0.300 1 153 20 20 PHE CD2 C 132.329 0.300 1 154 20 20 PHE CE1 C 130.726 0.300 1 155 20 20 PHE CE2 C 130.726 0.300 1 156 20 20 PHE CZ C 129.469 0.300 1 157 20 20 PHE N N 117.331 0.300 1 158 21 21 LYS H H 9.038 0.030 1 159 21 21 LYS HA H 4.591 0.030 1 160 21 21 LYS HB2 H 2.127 0.030 2 161 21 21 LYS HB3 H 2.067 0.030 2 162 21 21 LYS HD2 H 1.819 0.030 1 163 21 21 LYS HD3 H 1.819 0.030 1 164 21 21 LYS HE2 H 3.052 0.030 1 165 21 21 LYS HE3 H 3.052 0.030 1 166 21 21 LYS HG2 H 1.671 0.030 2 167 21 21 LYS HG3 H 1.620 0.030 2 168 21 21 LYS C C 176.441 0.300 1 169 21 21 LYS CA C 58.512 0.300 1 170 21 21 LYS CB C 34.131 0.300 1 171 21 21 LYS CD C 29.488 0.300 1 172 21 21 LYS CE C 42.183 0.300 1 173 21 21 LYS CG C 25.857 0.300 1 174 21 21 LYS N N 122.112 0.300 1 175 22 22 ARG H H 8.008 0.030 1 176 22 22 ARG HA H 4.827 0.030 1 177 22 22 ARG HB2 H 2.356 0.030 2 178 22 22 ARG HB3 H 1.821 0.030 2 179 22 22 ARG HD2 H 3.456 0.030 2 180 22 22 ARG HD3 H 3.218 0.030 2 181 22 22 ARG HG2 H 1.770 0.030 1 182 22 22 ARG HG3 H 1.770 0.030 1 183 22 22 ARG C C 176.344 0.300 1 184 22 22 ARG CA C 54.558 0.300 1 185 22 22 ARG CB C 33.806 0.300 1 186 22 22 ARG CD C 43.808 0.300 1 187 22 22 ARG CG C 27.335 0.300 1 188 22 22 ARG N N 116.556 0.300 1 189 23 23 LYS H H 8.641 0.030 1 190 23 23 LYS HA H 3.079 0.030 1 191 23 23 LYS HB2 H 1.420 0.030 2 192 23 23 LYS HB3 H 1.034 0.030 2 193 23 23 LYS HD2 H 1.464 0.030 2 194 23 23 LYS HD3 H 1.500 0.030 2 195 23 23 LYS HE2 H 2.851 0.030 1 196 23 23 LYS HE3 H 2.851 0.030 1 197 23 23 LYS HG2 H 1.071 0.030 2 198 23 23 LYS HG3 H 0.883 0.030 2 199 23 23 LYS C C 177.846 0.300 1 200 23 23 LYS CA C 59.522 0.300 1 201 23 23 LYS CB C 32.085 0.300 1 202 23 23 LYS CD C 29.248 0.300 1 203 23 23 LYS CE C 41.947 0.300 1 204 23 23 LYS CG C 25.116 0.300 1 205 23 23 LYS N N 125.881 0.300 1 206 24 24 ASP H H 8.695 0.030 1 207 24 24 ASP HA H 4.175 0.030 1 208 24 24 ASP HB2 H 2.747 0.030 2 209 24 24 ASP HB3 H 2.609 0.030 2 210 24 24 ASP C C 178.841 0.300 1 211 24 24 ASP CA C 56.389 0.300 1 212 24 24 ASP CB C 38.422 0.300 1 213 24 24 ASP N N 117.725 0.300 1 214 25 25 ARG H H 7.466 0.030 1 215 25 25 ARG HA H 4.061 0.030 1 216 25 25 ARG HB2 H 2.105 0.030 2 217 25 25 ARG HB3 H 2.028 0.030 2 218 25 25 ARG HD2 H 3.361 0.030 1 219 25 25 ARG HD3 H 3.361 0.030 1 220 25 25 ARG HG2 H 1.714 0.030 2 221 25 25 ARG HG3 H 1.939 0.030 2 222 25 25 ARG C C 178.660 0.300 1 223 25 25 ARG CA C 58.039 0.300 1 224 25 25 ARG CB C 29.700 0.300 1 225 25 25 ARG CD C 42.982 0.300 1 226 25 25 ARG CG C 27.460 0.300 1 227 25 25 ARG N N 121.255 0.300 1 228 26 26 MET H H 7.300 0.030 1 229 26 26 MET HA H 2.392 0.030 1 230 26 26 MET HB2 H 2.087 0.030 2 231 26 26 MET HB3 H 1.502 0.030 2 232 26 26 MET HE H 2.080 0.030 1 233 26 26 MET HG2 H 2.229 0.030 2 234 26 26 MET HG3 H 2.158 0.030 2 235 26 26 MET C C 177.363 0.300 1 236 26 26 MET CA C 59.108 0.300 1 237 26 26 MET CB C 31.396 0.300 1 238 26 26 MET CE C 17.673 0.300 1 239 26 26 MET CG C 31.516 0.300 1 240 26 26 MET N N 121.321 0.300 1 241 27 27 SER H H 8.415 0.030 1 242 27 27 SER HA H 4.034 0.030 1 243 27 27 SER HB2 H 3.852 0.030 1 244 27 27 SER HB3 H 3.852 0.030 1 245 27 27 SER C C 176.594 0.300 1 246 27 27 SER CA C 62.109 0.300 1 247 27 27 SER CB C 62.495 0.300 1 248 27 27 SER N N 115.353 0.300 1 249 28 28 TYR H H 7.633 0.030 1 250 28 28 TYR HA H 4.150 0.030 1 251 28 28 TYR HB2 H 3.054 0.030 1 252 28 28 TYR HB3 H 3.054 0.030 1 253 28 28 TYR HD1 H 7.122 0.030 1 254 28 28 TYR HD2 H 7.122 0.030 1 255 28 28 TYR HE1 H 6.809 0.030 1 256 28 28 TYR HE2 H 6.809 0.030 1 257 28 28 TYR C C 178.125 0.300 1 258 28 28 TYR CA C 61.001 0.300 1 259 28 28 TYR CB C 38.157 0.300 1 260 28 28 TYR CD1 C 133.040 0.300 1 261 28 28 TYR CD2 C 133.040 0.300 1 262 28 28 TYR CE1 C 118.231 0.300 1 263 28 28 TYR CE2 C 118.231 0.300 1 264 28 28 TYR N N 121.101 0.300 1 265 29 29 HIS H H 7.716 0.030 1 266 29 29 HIS HA H 4.220 0.030 1 267 29 29 HIS HB2 H 3.252 0.030 2 268 29 29 HIS HB3 H 3.305 0.030 2 269 29 29 HIS HD2 H 7.120 0.030 1 270 29 29 HIS HE1 H 7.929 0.030 1 271 29 29 HIS C C 178.452 0.300 1 272 29 29 HIS CA C 59.693 0.300 1 273 29 29 HIS CB C 28.328 0.300 1 274 29 29 HIS CD2 C 127.838 0.300 1 275 29 29 HIS CE1 C 139.939 0.300 1 276 29 29 HIS N N 118.786 0.300 1 277 30 30 VAL H H 8.823 0.030 1 278 30 30 VAL HA H 3.636 0.030 1 279 30 30 VAL HB H 2.281 0.030 1 280 30 30 VAL HG1 H 1.527 0.030 1 281 30 30 VAL HG2 H 1.150 0.030 1 282 30 30 VAL C C 178.257 0.300 1 283 30 30 VAL CA C 66.984 0.300 1 284 30 30 VAL CB C 31.922 0.300 1 285 30 30 VAL CG1 C 23.825 0.300 2 286 30 30 VAL CG2 C 21.574 0.300 2 287 30 30 VAL N N 121.801 0.300 1 288 31 31 ARG H H 7.173 0.030 1 289 31 31 ARG HA H 4.110 0.030 1 290 31 31 ARG HB2 H 1.866 0.030 2 291 31 31 ARG HB3 H 1.770 0.030 2 292 31 31 ARG HD2 H 3.145 0.030 1 293 31 31 ARG HD3 H 3.145 0.030 1 294 31 31 ARG HG2 H 1.764 0.030 2 295 31 31 ARG HG3 H 1.692 0.030 2 296 31 31 ARG C C 177.796 0.300 1 297 31 31 ARG CA C 58.106 0.300 1 298 31 31 ARG CB C 29.902 0.300 1 299 31 31 ARG CD C 43.548 0.300 1 300 31 31 ARG CG C 27.078 0.300 1 301 31 31 ARG N N 118.114 0.300 1 302 32 32 SER H H 7.688 0.030 1 303 32 32 SER HA H 4.137 0.030 1 304 32 32 SER HB2 H 3.748 0.030 1 305 32 32 SER HB3 H 3.748 0.030 1 306 32 32 SER C C 175.300 0.300 1 307 32 32 SER CA C 60.684 0.300 1 308 32 32 SER CB C 62.992 0.300 1 309 32 32 SER N N 114.894 0.300 1 310 33 33 HIS H H 7.311 0.030 1 311 33 33 HIS HA H 4.666 0.030 1 312 33 33 HIS HB2 H 3.336 0.030 2 313 33 33 HIS HB3 H 3.252 0.030 2 314 33 33 HIS HD2 H 6.723 0.030 1 315 33 33 HIS HE1 H 8.099 0.030 1 316 33 33 HIS C C 175.062 0.300 1 317 33 33 HIS CA C 56.270 0.300 1 318 33 33 HIS CB C 28.469 0.300 1 319 33 33 HIS CD2 C 127.579 0.300 1 320 33 33 HIS CE1 C 140.343 0.300 1 321 33 33 HIS N N 119.078 0.300 1 322 34 34 ASP H H 7.835 0.030 1 323 34 34 ASP HA H 4.587 0.030 1 324 34 34 ASP HB2 H 2.767 0.030 1 325 34 34 ASP HB3 H 2.767 0.030 1 326 34 34 ASP C C 176.925 0.300 1 327 34 34 ASP CA C 55.078 0.300 1 328 34 34 ASP CB C 41.067 0.300 1 329 34 34 ASP N N 120.489 0.300 1 330 35 35 GLY H H 8.385 0.030 1 331 35 35 GLY HA2 H 4.001 0.030 1 332 35 35 GLY HA3 H 4.001 0.030 1 333 35 35 GLY C C 174.510 0.300 1 334 35 35 GLY CA C 45.634 0.300 1 335 35 35 GLY N N 109.643 0.300 1 336 36 36 SER H H 8.286 0.030 1 337 36 36 SER HA H 4.463 0.030 1 338 36 36 SER HB2 H 3.886 0.030 1 339 36 36 SER HB3 H 3.886 0.030 1 340 36 36 SER C C 174.753 0.300 1 341 36 36 SER CA C 58.726 0.300 1 342 36 36 SER CB C 63.849 0.300 1 343 36 36 SER N N 115.826 0.300 1 344 37 37 VAL H H 8.042 0.030 1 345 37 37 VAL HA H 4.140 0.030 1 346 37 37 VAL HB H 2.113 0.030 1 347 37 37 VAL HG1 H 0.943 0.030 1 348 37 37 VAL HG2 H 0.937 0.030 1 349 37 37 VAL C C 176.700 0.300 1 350 37 37 VAL CA C 62.617 0.300 1 351 37 37 VAL CB C 32.608 0.300 1 352 37 37 VAL CG1 C 20.551 0.300 2 353 37 37 VAL CG2 C 21.101 0.300 2 354 37 37 VAL N N 121.117 0.300 1 355 38 38 GLY H H 8.438 0.030 1 356 38 38 GLY HA2 H 3.979 0.030 1 357 38 38 GLY HA3 H 3.979 0.030 1 358 38 38 GLY C C 174.073 0.300 1 359 38 38 GLY CA C 45.447 0.300 1 360 38 38 GLY N N 112.237 0.300 1 361 39 39 LYS H H 8.169 0.030 1 362 39 39 LYS HA H 4.398 0.030 1 363 39 39 LYS HB2 H 1.762 0.030 2 364 39 39 LYS HB3 H 1.879 0.030 2 365 39 39 LYS HD2 H 1.681 0.030 1 366 39 39 LYS HD3 H 1.681 0.030 1 367 39 39 LYS HE2 H 3.004 0.030 1 368 39 39 LYS HE3 H 3.004 0.030 1 369 39 39 LYS HG2 H 1.456 0.030 2 370 39 39 LYS HG3 H 1.409 0.030 2 371 39 39 LYS C C 176.657 0.300 1 372 39 39 LYS CA C 56.261 0.300 1 373 39 39 LYS CB C 33.202 0.300 1 374 39 39 LYS CD C 29.058 0.300 1 375 39 39 LYS CE C 42.215 0.300 1 376 39 39 LYS CG C 24.721 0.300 1 377 39 39 LYS N N 120.913 0.300 1 378 40 40 SER H H 8.372 0.030 1 379 40 40 SER HA H 4.533 0.030 1 380 40 40 SER HB2 H 3.862 0.030 1 381 40 40 SER HB3 H 3.862 0.030 1 382 40 40 SER C C 174.447 0.300 1 383 40 40 SER CA C 58.311 0.300 1 384 40 40 SER CB C 63.939 0.300 1 385 40 40 SER N N 117.003 0.300 1 386 41 41 GLY H H 8.249 0.030 1 387 41 41 GLY C C 171.693 0.300 1 388 41 41 GLY CA C 44.738 0.300 1 389 41 41 GLY N N 110.596 0.300 1 390 42 42 PRO HA H 4.489 0.030 1 391 42 42 PRO HB2 H 2.295 0.030 2 392 42 42 PRO HB3 H 1.984 0.030 2 393 42 42 PRO HD2 H 3.632 0.030 1 394 42 42 PRO HD3 H 3.632 0.030 1 395 42 42 PRO HG2 H 2.022 0.030 1 396 42 42 PRO HG3 H 2.022 0.030 1 397 42 42 PRO C C 177.339 0.300 1 398 42 42 PRO CA C 63.285 0.300 1 399 42 42 PRO CB C 32.232 0.300 1 400 42 42 PRO CD C 49.837 0.300 1 401 42 42 PRO CG C 27.154 0.300 1 402 43 43 SER H H 8.517 0.030 1 403 43 43 SER C C 174.583 0.300 1 404 43 43 SER CB C 63.908 0.300 1 405 43 43 SER N N 116.300 0.300 1 stop_ save_