data_11379 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Solution structure of the secound zinc finger domain of Zinc finger protein 278 ; _BMRB_accession_number 11379 _BMRB_flat_file_name bmr11379.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" 191 "13C chemical shifts" 157 "15N chemical shifts" 29 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 secound 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, UNP residues 350-384' $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, UNP residues 350-384' _Molecular_mass . _Mol_thiol_state 'all other bound' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 48 _Mol_residue_sequence ; GSSGSSGRTRKQVACEICGK IFRDVYHLNRHKLSHSGEKP YSSGPSSG ; loop_ _Residue_seq_code _Residue_label 1 GLY 2 SER 3 SER 4 GLY 5 SER 6 SER 7 GLY 8 ARG 9 THR 10 ARG 11 LYS 12 GLN 13 VAL 14 ALA 15 CYS 16 GLU 17 ILE 18 CYS 19 GLY 20 LYS 21 ILE 22 PHE 23 ARG 24 ASP 25 VAL 26 TYR 27 HIS 28 LEU 29 ASN 30 ARG 31 HIS 32 LYS 33 LEU 34 SER 35 HIS 36 SER 37 GLY 38 GLU 39 LYS 40 PRO 41 TYR 42 SER 43 SER 44 GLY 45 PRO 46 SER 47 SER 48 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 PDB 2EPR "Solution Structure Of The Secound Zinc Finger Domain Of Zinc Finger Protein 278" 100.00 48 100.00 100.00 6.25e-25 DBJ BAA90874 "transcription factor MAZR [Mus musculus]" 72.92 641 100.00 100.00 4.45e-15 DBJ BAD92024 "zinc finger protein 278 long A isoform variant [Homo sapiens]" 72.92 651 100.00 100.00 4.15e-15 DBJ BAE38619 "unnamed protein product [Mus musculus]" 72.92 537 100.00 100.00 2.22e-15 DBJ BAF84492 "unnamed protein product [Homo sapiens]" 72.92 537 100.00 100.00 2.40e-15 DBJ BAG10581 "POZ-, AT hook-, and zinc finger-containing protein 1 [synthetic construct]" 72.92 641 100.00 100.00 4.37e-15 EMBL CAB51404 "hypothetical protein [Homo sapiens]" 72.92 616 100.00 100.00 4.17e-15 EMBL CAG30499 "ZNF278 [Homo sapiens]" 72.92 641 100.00 100.00 4.49e-15 EMBL CAK54641 "ZNF278 [synthetic construct]" 72.92 641 100.00 100.00 4.49e-15 EMBL CAK54940 "ZNF278 [synthetic construct]" 72.92 641 100.00 100.00 4.49e-15 GB AAF01349 "similar to zinc finger protein MAZ [Homo sapiens]; similar to AAB04121.1 (PID:g995935) [Homo sapiens]" 72.92 641 100.00 100.00 4.49e-15 GB AAF32518 "PATZ [Homo sapiens]" 72.92 537 100.00 100.00 2.54e-15 GB AAF99602 "krueppel-related zinc finger protein SBZF5 [Homo sapiens]" 72.92 424 100.00 100.00 1.89e-15 GB AAG09031 "zinc finger sarcoma gene short isoform [Homo sapiens]" 72.92 537 100.00 100.00 2.49e-15 GB AAG09032 "zinc finger sarcoma gene long A isoform [Homo sapiens]" 72.92 641 100.00 100.00 4.49e-15 REF NP_001100701 "POZ-, AT hook-, and zinc finger-containing protein 1 isoform 1 [Rattus norvegicus]" 72.92 641 100.00 100.00 4.41e-15 REF NP_001164822 "POZ-, AT hook-, and zinc finger-containing protein 1 [Oryctolagus cuniculus]" 72.92 687 97.14 100.00 1.46e-14 REF NP_001178126 "POZ-, AT hook-, and zinc finger-containing protein 1 [Bos taurus]" 72.92 687 100.00 100.00 5.76e-15 REF NP_001240619 "POZ-, AT hook-, and zinc finger-containing protein 1 isoform 2 [Mus musculus]" 72.92 537 100.00 100.00 4.33e-15 REF NP_001240620 "POZ-, AT hook-, and zinc finger-containing protein 1 isoform 3 [Mus musculus]" 72.92 516 100.00 100.00 2.53e-15 SP Q9HBE1 "RecName: Full=POZ-, AT hook-, and zinc finger-containing protein 1; AltName: Full=BTB/POZ domain zinc finger transcription fact" 72.92 687 100.00 100.00 5.43e-15 TPG DAA20504 "TPA: POZ (BTB) and AT hook containing zinc finger 1 isoform 1 [Bos taurus]" 72.92 687 100.00 100.00 5.76e-15 TPG DAA20505 "TPA: POZ (BTB) and AT hook containing zinc finger 1 isoform 2 [Bos taurus]" 72.92 641 100.00 100.00 4.67e-15 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 P061204-08 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Saveframe_category sample _Sample_type solution _Details ; 0.25mM 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 0.25 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, UNP residues 350-384' _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 9 9 THR HA H 4.349 0.030 1 2 9 9 THR HB H 4.235 0.030 1 3 9 9 THR HG2 H 1.228 0.030 1 4 9 9 THR CA C 62.076 0.300 1 5 9 9 THR CB C 69.882 0.300 1 6 9 9 THR CG2 C 21.735 0.300 1 7 10 10 ARG HA H 4.272 0.030 1 8 10 10 ARG HB2 H 2.008 0.030 2 9 10 10 ARG HB3 H 1.920 0.030 2 10 10 10 ARG HD2 H 3.193 0.030 2 11 10 10 ARG C C 176.198 0.300 1 12 10 10 ARG CA C 56.471 0.300 1 13 10 10 ARG CB C 30.484 0.300 1 14 10 10 ARG CD C 43.344 0.300 1 15 10 10 ARG CG C 30.673 0.300 1 16 11 11 LYS H H 8.359 0.030 1 17 11 11 LYS HA H 4.348 0.030 1 18 11 11 LYS HB2 H 1.877 0.030 2 19 11 11 LYS HB3 H 1.761 0.030 2 20 11 11 LYS HD2 H 1.692 0.030 2 21 11 11 LYS HE2 H 2.998 0.030 2 22 11 11 LYS HG2 H 1.426 0.030 2 23 11 11 LYS HG3 H 1.454 0.030 2 24 11 11 LYS C C 175.838 0.300 1 25 11 11 LYS CA C 56.235 0.300 1 26 11 11 LYS CB C 33.390 0.300 1 27 11 11 LYS CD C 29.160 0.300 1 28 11 11 LYS CE C 42.037 0.300 1 29 11 11 LYS CG C 24.899 0.300 1 30 11 11 LYS N N 123.165 0.300 1 31 12 12 GLN H H 8.062 0.030 1 32 12 12 GLN HA H 4.380 0.030 1 33 12 12 GLN HB2 H 1.895 0.030 2 34 12 12 GLN HB3 H 1.987 0.030 2 35 12 12 GLN HG2 H 2.295 0.030 2 36 12 12 GLN HG3 H 2.219 0.030 2 37 12 12 GLN C C 175.329 0.300 1 38 12 12 GLN CA C 56.139 0.300 1 39 12 12 GLN CB C 29.902 0.300 1 40 12 12 GLN CG C 34.319 0.300 1 41 12 12 GLN N N 120.198 0.300 1 42 13 13 VAL H H 8.416 0.030 1 43 13 13 VAL HA H 4.411 0.030 1 44 13 13 VAL HB H 2.084 0.030 1 45 13 13 VAL HG1 H 0.814 0.030 1 46 13 13 VAL HG2 H 0.750 0.030 1 47 13 13 VAL C C 173.214 0.300 1 48 13 13 VAL CA C 60.522 0.300 1 49 13 13 VAL CB C 33.876 0.300 1 50 13 13 VAL CG1 C 22.372 0.300 2 51 13 13 VAL CG2 C 20.347 0.300 2 52 13 13 VAL N N 118.347 0.300 1 53 14 14 ALA H H 8.313 0.030 1 54 14 14 ALA HA H 5.260 0.030 1 55 14 14 ALA HB H 1.113 0.030 1 56 14 14 ALA C C 176.908 0.300 1 57 14 14 ALA CA C 49.846 0.300 1 58 14 14 ALA CB C 21.747 0.300 1 59 14 14 ALA N N 125.355 0.300 1 60 15 15 CYS H H 9.132 0.030 1 61 15 15 CYS HA H 4.317 0.030 1 62 15 15 CYS HB2 H 2.824 0.030 2 63 15 15 CYS HB3 H 3.352 0.030 2 64 15 15 CYS C C 177.379 0.300 1 65 15 15 CYS CA C 60.121 0.300 1 66 15 15 CYS CB C 30.063 0.300 1 67 15 15 CYS N N 123.043 0.300 1 68 16 16 GLU H H 10.288 0.030 1 69 16 16 GLU HA H 4.199 0.030 1 70 16 16 GLU HB2 H 2.150 0.030 2 71 16 16 GLU HB3 H 2.068 0.030 2 72 16 16 GLU HG2 H 2.422 0.030 2 73 16 16 GLU HG3 H 2.310 0.030 2 74 16 16 GLU C C 176.100 0.300 1 75 16 16 GLU CA C 58.915 0.300 1 76 16 16 GLU CB C 28.683 0.300 1 77 16 16 GLU CG C 35.964 0.300 1 78 16 16 GLU N N 133.354 0.300 1 79 17 17 ILE H H 8.907 0.030 1 80 17 17 ILE HA H 3.872 0.030 1 81 17 17 ILE HB H 1.236 0.030 1 82 17 17 ILE HD1 H 0.648 0.030 1 83 17 17 ILE HG12 H 1.340 0.030 2 84 17 17 ILE HG13 H 1.026 0.030 2 85 17 17 ILE HG2 H 0.242 0.030 1 86 17 17 ILE C C 176.931 0.300 1 87 17 17 ILE CA C 63.449 0.300 1 88 17 17 ILE CB C 38.209 0.300 1 89 17 17 ILE CD1 C 12.588 0.300 1 90 17 17 ILE CG1 C 28.221 0.300 1 91 17 17 ILE CG2 C 16.258 0.300 1 92 17 17 ILE N N 122.575 0.300 1 93 18 18 CYS H H 8.111 0.030 1 94 18 18 CYS HA H 5.135 0.030 1 95 18 18 CYS HB2 H 3.458 0.030 2 96 18 18 CYS HB3 H 2.836 0.030 2 97 18 18 CYS C C 176.593 0.300 1 98 18 18 CYS CA C 58.320 0.300 1 99 18 18 CYS CB C 32.757 0.300 1 100 18 18 CYS N N 115.992 0.300 1 101 19 19 GLY H H 8.198 0.030 1 102 19 19 GLY HA2 H 4.195 0.030 2 103 19 19 GLY HA3 H 3.814 0.030 2 104 19 19 GLY C C 173.659 0.300 1 105 19 19 GLY CA C 46.261 0.300 1 106 19 19 GLY N N 113.754 0.300 1 107 20 20 LYS H H 7.882 0.030 1 108 20 20 LYS HA H 3.994 0.030 1 109 20 20 LYS HB2 H 1.484 0.030 2 110 20 20 LYS HB3 H 1.332 0.030 2 111 20 20 LYS HD2 H 1.567 0.030 2 112 20 20 LYS HD3 H 1.492 0.030 2 113 20 20 LYS HE2 H 2.927 0.030 2 114 20 20 LYS HG2 H 1.126 0.030 2 115 20 20 LYS HG3 H 1.520 0.030 2 116 20 20 LYS C C 174.052 0.300 1 117 20 20 LYS CA C 58.186 0.300 1 118 20 20 LYS CB C 33.935 0.300 1 119 20 20 LYS CD C 29.420 0.300 1 120 20 20 LYS CE C 42.276 0.300 1 121 20 20 LYS CG C 26.471 0.300 1 122 20 20 LYS N N 122.391 0.300 1 123 21 21 ILE H H 7.717 0.030 1 124 21 21 ILE HA H 4.384 0.030 1 125 21 21 ILE HB H 1.453 0.030 1 126 21 21 ILE HD1 H 0.699 0.030 1 127 21 21 ILE HG12 H 0.994 0.030 2 128 21 21 ILE HG13 H 1.461 0.030 2 129 21 21 ILE HG2 H 0.677 0.030 1 130 21 21 ILE C C 175.421 0.300 1 131 21 21 ILE CA C 60.233 0.300 1 132 21 21 ILE CB C 39.157 0.300 1 133 21 21 ILE CD1 C 12.556 0.300 1 134 21 21 ILE CG1 C 27.721 0.300 1 135 21 21 ILE CG2 C 18.196 0.300 1 136 21 21 ILE N N 120.488 0.300 1 137 22 22 PHE H H 8.818 0.030 1 138 22 22 PHE HA H 4.516 0.030 1 139 22 22 PHE HB2 H 2.542 0.030 2 140 22 22 PHE HB3 H 3.156 0.030 2 141 22 22 PHE HD1 H 7.064 0.030 1 142 22 22 PHE HD2 H 7.064 0.030 1 143 22 22 PHE HE1 H 6.727 0.030 1 144 22 22 PHE HE2 H 6.727 0.030 1 145 22 22 PHE HZ H 6.031 0.030 1 146 22 22 PHE C C 175.344 0.300 1 147 22 22 PHE CA C 57.333 0.300 1 148 22 22 PHE CB C 43.962 0.300 1 149 22 22 PHE CD1 C 131.832 0.300 1 150 22 22 PHE CD2 C 131.832 0.300 1 151 22 22 PHE CE1 C 130.859 0.300 1 152 22 22 PHE CE2 C 130.859 0.300 1 153 22 22 PHE CZ C 128.479 0.300 1 154 22 22 PHE N N 123.563 0.300 1 155 23 23 ARG HA H 4.109 0.030 1 156 23 23 ARG HB2 H 1.663 0.030 2 157 23 23 ARG HB3 H 1.752 0.030 2 158 23 23 ARG HD2 H 3.022 0.030 2 159 23 23 ARG HG2 H 1.560 0.030 2 160 23 23 ARG HG3 H 1.452 0.030 2 161 23 23 ARG C C 175.366 0.300 1 162 23 23 ARG CA C 58.144 0.300 1 163 23 23 ARG CB C 30.999 0.300 1 164 23 23 ARG CD C 43.440 0.300 1 165 23 23 ARG CG C 27.011 0.300 1 166 24 24 ASP H H 7.468 0.030 1 167 24 24 ASP HA H 4.780 0.030 1 168 24 24 ASP HB2 H 3.109 0.030 1 169 24 24 ASP HB3 H 3.109 0.030 1 170 24 24 ASP C C 176.118 0.300 1 171 24 24 ASP CA C 52.855 0.300 1 172 24 24 ASP CB C 42.947 0.300 1 173 24 24 ASP N N 110.500 0.300 1 174 25 25 VAL H H 8.615 0.030 1 175 25 25 VAL HA H 3.770 0.030 1 176 25 25 VAL HB H 2.055 0.030 1 177 25 25 VAL HG1 H 0.969 0.030 1 178 25 25 VAL HG2 H 0.833 0.030 1 179 25 25 VAL C C 176.072 0.300 1 180 25 25 VAL CA C 65.329 0.300 1 181 25 25 VAL CB C 31.946 0.300 1 182 25 25 VAL CG1 C 21.790 0.300 2 183 25 25 VAL CG2 C 20.609 0.300 2 184 25 25 VAL N N 118.554 0.300 1 185 26 26 TYR H H 8.023 0.030 1 186 26 26 TYR HA H 4.184 0.030 1 187 26 26 TYR HB2 H 3.103 0.030 2 188 26 26 TYR HB3 H 3.006 0.030 2 189 26 26 TYR HD1 H 6.822 0.030 1 190 26 26 TYR HD2 H 6.822 0.030 1 191 26 26 TYR HE1 H 6.800 0.030 1 192 26 26 TYR HE2 H 6.800 0.030 1 193 26 26 TYR C C 179.097 0.300 1 194 26 26 TYR CA C 61.354 0.300 1 195 26 26 TYR CB C 37.254 0.300 1 196 26 26 TYR CD1 C 132.963 0.300 1 197 26 26 TYR CD2 C 132.963 0.300 1 198 26 26 TYR CE1 C 118.181 0.300 1 199 26 26 TYR CE2 C 118.181 0.300 1 200 26 26 TYR N N 123.016 0.300 1 201 27 27 HIS H H 8.542 0.030 1 202 27 27 HIS HA H 4.019 0.030 1 203 27 27 HIS HB2 H 3.442 0.030 2 204 27 27 HIS HB3 H 3.238 0.030 2 205 27 27 HIS C C 178.705 0.300 1 206 27 27 HIS CA C 54.790 0.300 1 207 27 27 HIS CB C 30.209 0.300 1 208 27 27 HIS N N 118.293 0.300 1 209 28 28 LEU H H 7.947 0.030 1 210 28 28 LEU HA H 3.175 0.030 1 211 28 28 LEU HB2 H 1.960 0.030 2 212 28 28 LEU HB3 H 1.284 0.030 2 213 28 28 LEU HD1 H 0.896 0.030 1 214 28 28 LEU HD2 H 0.929 0.030 1 215 28 28 LEU HG H 1.457 0.030 1 216 28 28 LEU C C 177.615 0.300 1 217 28 28 LEU CA C 58.027 0.300 1 218 28 28 LEU CB C 41.028 0.300 1 219 28 28 LEU CD1 C 23.071 0.300 2 220 28 28 LEU CD2 C 26.342 0.300 2 221 28 28 LEU CG C 27.476 0.300 1 222 28 28 LEU N N 122.692 0.300 1 223 29 29 ASN H H 8.835 0.030 1 224 29 29 ASN HA H 4.278 0.030 1 225 29 29 ASN HB2 H 2.661 0.030 2 226 29 29 ASN HB3 H 2.863 0.030 2 227 29 29 ASN HD21 H 7.503 0.030 2 228 29 29 ASN HD22 H 6.800 0.030 2 229 29 29 ASN C C 178.567 0.300 1 230 29 29 ASN CA C 55.983 0.300 1 231 29 29 ASN CB C 37.010 0.300 1 232 29 29 ASN N N 119.098 0.300 1 233 29 29 ASN ND2 N 111.953 0.300 1 234 30 30 ARG H H 7.376 0.030 1 235 30 30 ARG HA H 3.975 0.030 1 236 30 30 ARG HB2 H 1.674 0.030 2 237 30 30 ARG HB3 H 1.786 0.030 2 238 30 30 ARG HD2 H 3.006 0.030 1 239 30 30 ARG HD3 H 3.006 0.030 1 240 30 30 ARG HG2 H 1.596 0.030 2 241 30 30 ARG C C 178.928 0.300 1 242 30 30 ARG CA C 58.812 0.300 1 243 30 30 ARG CB C 29.786 0.300 1 244 30 30 ARG CD C 43.060 0.300 1 245 30 30 ARG CG C 26.913 0.300 1 246 30 30 ARG N N 119.093 0.300 1 247 31 31 HIS H H 7.583 0.030 1 248 31 31 HIS HA H 4.236 0.030 1 249 31 31 HIS HB2 H 2.971 0.030 2 250 31 31 HIS HB3 H 2.719 0.030 2 251 31 31 HIS HD2 H 6.694 0.030 1 252 31 31 HIS HE1 H 7.918 0.030 1 253 31 31 HIS C C 178.086 0.300 1 254 31 31 HIS CA C 58.656 0.300 1 255 31 31 HIS CB C 27.653 0.300 1 256 31 31 HIS CD2 C 127.454 0.300 1 257 31 31 HIS CE1 C 139.337 0.300 1 258 31 31 HIS N N 119.739 0.300 1 259 32 32 LYS H H 8.631 0.030 1 260 32 32 LYS HA H 3.539 0.030 1 261 32 32 LYS HB2 H 1.926 0.030 1 262 32 32 LYS HB3 H 1.926 0.030 1 263 32 32 LYS HD2 H 1.823 0.030 1 264 32 32 LYS HD3 H 1.823 0.030 1 265 32 32 LYS HE2 H 3.107 0.030 2 266 32 32 LYS HE3 H 2.965 0.030 2 267 32 32 LYS HG2 H 1.898 0.030 2 268 32 32 LYS HG3 H 1.708 0.030 2 269 32 32 LYS C C 178.249 0.300 1 270 32 32 LYS CA C 60.535 0.300 1 271 32 32 LYS CB C 32.070 0.300 1 272 32 32 LYS CD C 29.682 0.300 1 273 32 32 LYS CE C 41.821 0.300 1 274 32 32 LYS CG C 26.966 0.300 1 275 32 32 LYS N N 120.360 0.300 1 276 33 33 LEU H H 7.059 0.030 1 277 33 33 LEU HA H 4.092 0.030 1 278 33 33 LEU HB2 H 1.738 0.030 2 279 33 33 LEU HB3 H 1.507 0.030 2 280 33 33 LEU HD1 H 0.907 0.030 1 281 33 33 LEU HD2 H 0.822 0.030 1 282 33 33 LEU HG H 1.808 0.030 1 283 33 33 LEU C C 179.014 0.300 1 284 33 33 LEU CA C 57.246 0.300 1 285 33 33 LEU CB C 41.273 0.300 1 286 33 33 LEU CD1 C 25.109 0.300 2 287 33 33 LEU CD2 C 22.480 0.300 2 288 33 33 LEU CG C 26.648 0.300 1 289 33 33 LEU N N 118.737 0.300 1 290 34 34 SER H H 7.876 0.030 1 291 34 34 SER HA H 4.170 0.030 1 292 34 34 SER HB2 H 3.773 0.030 2 293 34 34 SER HB3 H 3.674 0.030 2 294 34 34 SER C C 174.934 0.300 1 295 34 34 SER CA C 60.494 0.300 1 296 34 34 SER CB C 63.282 0.300 1 297 34 34 SER N N 113.903 0.300 1 298 35 35 HIS H H 7.288 0.030 1 299 35 35 HIS HA H 4.857 0.030 1 300 35 35 HIS HB2 H 3.299 0.030 2 301 35 35 HIS HB3 H 3.095 0.030 2 302 35 35 HIS HD2 H 6.447 0.030 1 303 35 35 HIS HE1 H 8.036 0.030 1 304 35 35 HIS C C 175.071 0.300 1 305 35 35 HIS CA C 55.286 0.300 1 306 35 35 HIS CB C 28.760 0.300 1 307 35 35 HIS CD2 C 126.954 0.300 1 308 35 35 HIS CE1 C 140.299 0.300 1 309 35 35 HIS N N 119.013 0.300 1 310 36 36 SER H H 7.834 0.030 1 311 36 36 SER C C 174.898 0.300 1 312 36 36 SER CA C 58.471 0.300 1 313 36 36 SER CB C 63.145 0.300 1 314 36 36 SER N N 115.439 0.300 1 315 38 38 GLU HA H 4.243 0.030 1 316 38 38 GLU HB2 H 2.251 0.030 2 317 38 38 GLU HB3 H 2.219 0.030 2 318 38 38 GLU CA C 56.364 0.300 1 319 38 38 GLU CG C 36.230 0.300 1 320 39 39 LYS HA H 4.556 0.030 1 321 39 39 LYS HB2 H 1.737 0.030 2 322 39 39 LYS HB3 H 1.674 0.030 2 323 39 39 LYS HD2 H 1.645 0.030 2 324 39 39 LYS HE2 H 2.958 0.030 2 325 39 39 LYS HG2 H 1.405 0.030 2 326 39 39 LYS HG3 H 1.437 0.030 2 327 39 39 LYS CA C 54.044 0.300 1 328 39 39 LYS CB C 32.471 0.300 1 329 39 39 LYS CD C 29.134 0.300 1 330 39 39 LYS CE C 42.247 0.300 1 331 39 39 LYS CG C 24.484 0.300 1 332 40 40 PRO HA H 4.365 0.030 1 333 40 40 PRO HB2 H 2.202 0.030 2 334 40 40 PRO HB3 H 1.787 0.030 2 335 40 40 PRO HD2 H 3.752 0.030 2 336 40 40 PRO HD3 H 3.571 0.030 2 337 40 40 PRO HG2 H 1.941 0.030 1 338 40 40 PRO HG3 H 1.941 0.030 1 339 40 40 PRO C C 176.537 0.300 1 340 40 40 PRO CA C 63.166 0.300 1 341 40 40 PRO CB C 31.955 0.300 1 342 40 40 PRO CD C 50.527 0.300 1 343 40 40 PRO CG C 27.374 0.300 1 344 41 41 TYR H H 8.264 0.030 1 345 41 41 TYR HA H 4.494 0.030 1 346 41 41 TYR HB2 H 3.025 0.030 2 347 41 41 TYR HB3 H 2.965 0.030 2 348 41 41 TYR HD1 H 7.094 0.030 1 349 41 41 TYR HD2 H 7.094 0.030 1 350 41 41 TYR HE1 H 6.690 0.030 1 351 41 41 TYR HE2 H 6.690 0.030 1 352 41 41 TYR C C 175.730 0.300 1 353 41 41 TYR CA C 58.064 0.300 1 354 41 41 TYR CB C 38.684 0.300 1 355 41 41 TYR CD1 C 133.244 0.300 1 356 41 41 TYR CD2 C 133.244 0.300 1 357 41 41 TYR CE1 C 118.186 0.300 1 358 41 41 TYR CE2 C 118.186 0.300 1 359 41 41 TYR N N 120.805 0.300 1 360 42 42 SER H H 8.041 0.030 1 361 42 42 SER C C 173.766 0.300 1 362 42 42 SER CA C 57.567 0.300 1 363 42 42 SER CB C 63.631 0.300 1 364 42 42 SER N N 117.899 0.300 1 365 45 45 PRO HA H 4.449 0.030 1 366 45 45 PRO HB2 H 1.951 0.030 2 367 45 45 PRO HB3 H 2.266 0.030 2 368 45 45 PRO HD2 H 3.601 0.030 2 369 45 45 PRO HG2 H 1.993 0.030 2 370 45 45 PRO C C 177.344 0.300 1 371 45 45 PRO CA C 63.296 0.300 1 372 45 45 PRO CB C 32.216 0.300 1 373 45 45 PRO CD C 49.801 0.300 1 374 45 45 PRO CG C 27.136 0.300 1 375 46 46 SER H H 8.503 0.030 1 376 46 46 SER C C 174.489 0.300 1 377 46 46 SER N N 116.486 0.300 1 stop_ save_