data_11368 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Solution structure of the C2H2 type zinc finger (region 656-688) of human Zinc finger protein 95 homolog ; _BMRB_accession_number 11368 _BMRB_flat_file_name bmr11368.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 Takahashi M. . . 2 Kuwasako K. . . 3 Tsuda K. . . 4 Tanabe W. . . 5 Harada T. . . 6 Watanabe S. . . 7 Tochio N. . . 8 Muto Y. . . 9 Kigawa T. . . 10 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" 219 "13C chemical shifts" 170 "15N chemical shifts" 38 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 C2H2 type zinc finger (region 656-688) of human Zinc finger protein 95 homolog ; _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 Takahashi M. . . 2 Kuwasako K. . . 3 Tsuda K. . . 4 Tanabe W. . . 5 Harada T. . . 6 Watanabe S. . . 7 Tochio N. . . 8 Muto Y. . . 9 Kigawa T. . . 10 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 'Zinc finger protein 95 homolog' _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label ZF-C2H2 $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 ZF-C2H2 _Molecular_mass . _Mol_thiol_state 'all other bound' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 46 _Mol_residue_sequence ; GSSGSSGSREKSHQCRECGE IFFQYVSLIEHQVLHMGQKN SGPSSG ; loop_ _Residue_seq_code _Residue_label 1 GLY 2 SER 3 SER 4 GLY 5 SER 6 SER 7 GLY 8 SER 9 ARG 10 GLU 11 LYS 12 SER 13 HIS 14 GLN 15 CYS 16 ARG 17 GLU 18 CYS 19 GLY 20 GLU 21 ILE 22 PHE 23 PHE 24 GLN 25 TYR 26 VAL 27 SER 28 LEU 29 ILE 30 GLU 31 HIS 32 GLN 33 VAL 34 LEU 35 HIS 36 MET 37 GLY 38 GLN 39 LYS 40 ASN 41 SER 42 GLY 43 PRO 44 SER 45 SER 46 GLY stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date 2014-05-12 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 2YSO "Solution Structure Of The C2h2 Type Zinc Finger (Region 656- 688) Of Human Zinc Finger Protein 95 Homolog" 100.00 46 100.00 100.00 3.75e-23 GB ABM47752 "ZFP95 [Saguinus labiatus]" 71.74 285 100.00 100.00 1.89e-13 GB ABM68295 "ZFP95 [Lagothrix lagotricha]" 71.74 284 100.00 100.00 1.62e-13 GB ABM88134 "ZFP95 [Macaca nemestrina]" 71.74 274 96.97 100.00 3.43e-13 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_name $entity_1 'cell free synthesis' 'E. coli' Escherichia coli . P061225-40 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Saveframe_category sample _Sample_type solution _Details ; 1.0mM sample {U-15N,13C;} 20mM {d-Tris-HCl;} 100mM {NaCl;} 1mM {d-DTT;} 0.02% {NaN3;} 90% H2O, 10% D2O ; loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $entity_1 1.0 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' 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 20030801 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 2.0.17 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_13C-separated_NOESY_1 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 13C-separated NOESY' _Sample_label $sample_1 save_ save_3D_15N-separated_NOESY_2 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 15N-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 13C-separated NOESY' '3D 15N-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 ZF-C2H2 _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 8 8 SER HA H 4.454 0.030 1 2 8 8 SER C C 174.819 0.300 1 3 8 8 SER CA C 58.469 0.300 1 4 8 8 SER CB C 63.946 0.300 1 5 9 9 ARG H H 8.450 0.030 1 6 9 9 ARG HA H 4.392 0.030 1 7 9 9 ARG HB2 H 1.912 0.030 2 8 9 9 ARG HB3 H 1.790 0.030 2 9 9 9 ARG HD2 H 3.188 0.030 1 10 9 9 ARG HD3 H 3.188 0.030 1 11 9 9 ARG HG2 H 1.674 0.030 2 12 9 9 ARG HG3 H 1.620 0.030 2 13 9 9 ARG C C 176.414 0.300 1 14 9 9 ARG CA C 56.299 0.300 1 15 9 9 ARG CB C 30.678 0.300 1 16 9 9 ARG CD C 43.340 0.300 1 17 9 9 ARG CG C 27.119 0.300 1 18 9 9 ARG N N 123.030 0.300 1 19 10 10 GLU H H 8.399 0.030 1 20 10 10 GLU HA H 4.383 0.030 1 21 10 10 GLU HB2 H 2.115 0.030 2 22 10 10 GLU HB3 H 1.966 0.030 2 23 10 10 GLU HG2 H 2.321 0.030 1 24 10 10 GLU HG3 H 2.321 0.030 1 25 10 10 GLU C C 176.313 0.300 1 26 10 10 GLU CA C 56.529 0.300 1 27 10 10 GLU CB C 30.408 0.300 1 28 10 10 GLU CG C 36.365 0.300 1 29 10 10 GLU N N 121.517 0.300 1 30 11 11 LYS H H 8.363 0.030 1 31 11 11 LYS HA H 4.347 0.030 1 32 11 11 LYS HB2 H 1.805 0.030 2 33 11 11 LYS HB3 H 1.756 0.030 2 34 11 11 LYS HD2 H 1.679 0.030 1 35 11 11 LYS HD3 H 1.679 0.030 1 36 11 11 LYS HE2 H 2.987 0.030 1 37 11 11 LYS HE3 H 2.987 0.030 1 38 11 11 LYS HG2 H 1.363 0.030 2 39 11 11 LYS HG3 H 1.324 0.030 2 40 11 11 LYS C C 175.341 0.300 1 41 11 11 LYS CA C 56.172 0.300 1 42 11 11 LYS CB C 33.127 0.300 1 43 11 11 LYS CD C 29.103 0.300 1 44 11 11 LYS CE C 42.235 0.300 1 45 11 11 LYS CG C 24.753 0.300 1 46 11 11 LYS N N 122.057 0.300 1 47 12 12 SER H H 7.868 0.030 1 48 12 12 SER HA H 4.474 0.030 1 49 12 12 SER HB2 H 3.631 0.030 2 50 12 12 SER HB3 H 3.574 0.030 2 51 12 12 SER C C 172.841 0.300 1 52 12 12 SER CA C 57.603 0.300 1 53 12 12 SER CB C 64.757 0.300 1 54 12 12 SER N N 115.085 0.300 1 55 13 13 HIS H H 8.552 0.030 1 56 13 13 HIS HA H 4.770 0.030 1 57 13 13 HIS HB2 H 3.104 0.030 2 58 13 13 HIS HB3 H 2.955 0.030 2 59 13 13 HIS HD2 H 6.673 0.030 1 60 13 13 HIS HE1 H 7.776 0.030 1 61 13 13 HIS C C 173.781 0.300 1 62 13 13 HIS CA C 55.407 0.300 1 63 13 13 HIS CB C 32.683 0.300 1 64 13 13 HIS CD2 C 119.984 0.300 1 65 13 13 HIS CE1 C 138.750 0.300 1 66 13 13 HIS N N 120.891 0.300 1 67 14 14 GLN H H 8.796 0.030 1 68 14 14 GLN HA H 5.100 0.030 1 69 14 14 GLN HB2 H 2.003 0.030 2 70 14 14 GLN HB3 H 1.704 0.030 2 71 14 14 GLN HE21 H 7.625 0.030 2 72 14 14 GLN HE22 H 6.859 0.030 2 73 14 14 GLN HG2 H 2.017 0.030 1 74 14 14 GLN HG3 H 2.017 0.030 1 75 14 14 GLN C C 174.926 0.300 1 76 14 14 GLN CA C 54.294 0.300 1 77 14 14 GLN CB C 31.465 0.300 1 78 14 14 GLN CG C 33.388 0.300 1 79 14 14 GLN N N 124.309 0.300 1 80 14 14 GLN NE2 N 112.345 0.300 1 81 15 15 CYS H H 9.317 0.030 1 82 15 15 CYS HA H 4.547 0.030 1 83 15 15 CYS HB2 H 3.397 0.030 2 84 15 15 CYS HB3 H 2.875 0.030 2 85 15 15 CYS C C 177.529 0.300 1 86 15 15 CYS CA C 59.722 0.300 1 87 15 15 CYS CB C 29.537 0.300 1 88 15 15 CYS N N 110.612 0.300 1 89 16 16 ARG H H 9.349 0.030 1 90 16 16 ARG HA H 4.184 0.030 1 91 16 16 ARG HB2 H 1.984 0.030 1 92 16 16 ARG HB3 H 1.984 0.030 1 93 16 16 ARG HD2 H 3.283 0.030 1 94 16 16 ARG HD3 H 3.283 0.030 1 95 16 16 ARG HG2 H 1.786 0.030 1 96 16 16 ARG HG3 H 1.786 0.030 1 97 16 16 ARG C C 176.689 0.300 1 98 16 16 ARG CA C 58.291 0.300 1 99 16 16 ARG CB C 30.047 0.300 1 100 16 16 ARG CD C 43.285 0.300 1 101 16 16 ARG CG C 27.321 0.300 1 102 16 16 ARG N N 114.301 0.300 1 103 17 17 GLU H H 8.657 0.030 1 104 17 17 GLU HA H 4.227 0.030 1 105 17 17 GLU HB2 H 1.403 0.030 2 106 17 17 GLU HB3 H 1.364 0.030 2 107 17 17 GLU HG2 H 1.928 0.030 2 108 17 17 GLU HG3 H 1.847 0.030 2 109 17 17 GLU C C 177.316 0.300 1 110 17 17 GLU CA C 58.285 0.300 1 111 17 17 GLU CB C 29.512 0.300 1 112 17 17 GLU CG C 35.731 0.300 1 113 17 17 GLU N N 120.085 0.300 1 114 18 18 CYS H H 7.962 0.030 1 115 18 18 CYS HA H 5.199 0.030 1 116 18 18 CYS HB2 H 3.501 0.030 2 117 18 18 CYS HB3 H 2.875 0.030 2 118 18 18 CYS C C 176.303 0.300 1 119 18 18 CYS CA C 58.382 0.300 1 120 18 18 CYS CB C 32.648 0.300 1 121 18 18 CYS N N 114.713 0.300 1 122 19 19 GLY H H 8.131 0.030 1 123 19 19 GLY HA2 H 4.319 0.030 2 124 19 19 GLY HA3 H 3.825 0.030 2 125 19 19 GLY C C 174.114 0.300 1 126 19 19 GLY CA C 46.081 0.300 1 127 19 19 GLY N N 113.291 0.300 1 128 20 20 GLU H H 8.148 0.030 1 129 20 20 GLU HA H 3.961 0.030 1 130 20 20 GLU HB2 H 1.776 0.030 2 131 20 20 GLU HB3 H 1.390 0.030 2 132 20 20 GLU HG2 H 2.072 0.030 2 133 20 20 GLU HG3 H 1.844 0.030 2 134 20 20 GLU C C 174.074 0.300 1 135 20 20 GLU CA C 58.379 0.300 1 136 20 20 GLU CB C 30.232 0.300 1 137 20 20 GLU CG C 36.987 0.300 1 138 20 20 GLU N N 124.452 0.300 1 139 21 21 ILE H H 7.842 0.030 1 140 21 21 ILE HA H 4.454 0.030 1 141 21 21 ILE HB H 1.423 0.030 1 142 21 21 ILE HD1 H 0.762 0.030 1 143 21 21 ILE HG12 H 1.570 0.030 2 144 21 21 ILE HG13 H 0.811 0.030 2 145 21 21 ILE HG2 H 0.564 0.030 1 146 21 21 ILE C C 174.548 0.300 1 147 21 21 ILE CA C 60.328 0.300 1 148 21 21 ILE CB C 39.918 0.300 1 149 21 21 ILE CD1 C 13.134 0.300 1 150 21 21 ILE CG1 C 27.833 0.300 1 151 21 21 ILE CG2 C 18.054 0.300 1 152 21 21 ILE N N 121.680 0.300 1 153 22 22 PHE H H 8.605 0.030 1 154 22 22 PHE HA H 4.545 0.030 1 155 22 22 PHE HB2 H 3.241 0.030 2 156 22 22 PHE HB3 H 2.624 0.030 2 157 22 22 PHE HD1 H 7.128 0.030 1 158 22 22 PHE HD2 H 7.128 0.030 1 159 22 22 PHE HE1 H 6.768 0.030 1 160 22 22 PHE HE2 H 6.768 0.030 1 161 22 22 PHE HZ H 6.168 0.030 1 162 22 22 PHE C C 175.289 0.300 1 163 22 22 PHE CA C 56.669 0.300 1 164 22 22 PHE CB C 43.154 0.300 1 165 22 22 PHE CD1 C 132.070 0.300 1 166 22 22 PHE CD2 C 132.070 0.300 1 167 22 22 PHE CE1 C 130.584 0.300 1 168 22 22 PHE CE2 C 130.584 0.300 1 169 22 22 PHE CZ C 129.135 0.300 1 170 22 22 PHE N N 123.197 0.300 1 171 23 23 PHE H H 9.081 0.030 1 172 23 23 PHE HA H 4.922 0.030 1 173 23 23 PHE HB2 H 3.496 0.030 2 174 23 23 PHE HB3 H 3.032 0.030 2 175 23 23 PHE HD1 H 7.353 0.030 1 176 23 23 PHE HD2 H 7.353 0.030 1 177 23 23 PHE HE1 H 7.287 0.030 1 178 23 23 PHE HE2 H 7.287 0.030 1 179 23 23 PHE C C 175.495 0.300 1 180 23 23 PHE CA C 58.987 0.300 1 181 23 23 PHE CB C 39.405 0.300 1 182 23 23 PHE CD1 C 131.537 0.300 1 183 23 23 PHE CD2 C 131.537 0.300 1 184 23 23 PHE CE1 C 129.898 0.300 1 185 23 23 PHE CE2 C 129.898 0.300 1 186 23 23 PHE N N 119.796 0.300 1 187 24 24 GLN H H 7.615 0.030 1 188 24 24 GLN HA H 4.849 0.030 1 189 24 24 GLN HB2 H 2.311 0.030 2 190 24 24 GLN HB3 H 2.165 0.030 2 191 24 24 GLN HG2 H 2.517 0.030 1 192 24 24 GLN HG3 H 2.517 0.030 1 193 24 24 GLN C C 175.835 0.300 1 194 24 24 GLN CA C 54.439 0.300 1 195 24 24 GLN CB C 31.504 0.300 1 196 24 24 GLN CG C 33.865 0.300 1 197 24 24 GLN N N 114.864 0.300 1 198 25 25 TYR HA H 3.468 0.030 1 199 25 25 TYR HB2 H 2.789 0.030 2 200 25 25 TYR HB3 H 2.697 0.030 2 201 25 25 TYR HD1 H 6.817 0.030 1 202 25 25 TYR HD2 H 6.817 0.030 1 203 25 25 TYR HE1 H 6.785 0.030 1 204 25 25 TYR HE2 H 6.785 0.030 1 205 25 25 TYR C C 177.531 0.300 1 206 25 25 TYR CA C 61.804 0.300 1 207 25 25 TYR CB C 38.191 0.300 1 208 25 25 TYR CD1 C 132.687 0.300 1 209 25 25 TYR CD2 C 132.687 0.300 1 210 25 25 TYR CE1 C 118.313 0.300 1 211 25 25 TYR CE2 C 118.313 0.300 1 212 26 26 VAL H H 8.517 0.030 1 213 26 26 VAL HA H 3.628 0.030 1 214 26 26 VAL HB H 2.119 0.030 1 215 26 26 VAL HG1 H 1.023 0.030 1 216 26 26 VAL HG2 H 0.987 0.030 1 217 26 26 VAL C C 177.024 0.300 1 218 26 26 VAL CA C 65.345 0.300 1 219 26 26 VAL CB C 31.122 0.300 1 220 26 26 VAL CG1 C 21.196 0.300 2 221 26 26 VAL CG2 C 20.775 0.300 2 222 26 26 VAL N N 114.414 0.300 1 223 27 27 SER H H 6.771 0.030 1 224 27 27 SER HA H 4.225 0.030 1 225 27 27 SER HB2 H 4.073 0.030 1 226 27 27 SER HB3 H 4.073 0.030 1 227 27 27 SER C C 176.212 0.300 1 228 27 27 SER CA C 60.997 0.300 1 229 27 27 SER CB C 62.464 0.300 1 230 27 27 SER N N 115.108 0.300 1 231 28 28 LEU H H 6.986 0.030 1 232 28 28 LEU HA H 3.090 0.030 1 233 28 28 LEU HB2 H 1.917 0.030 2 234 28 28 LEU HB3 H 1.080 0.030 2 235 28 28 LEU HD1 H 0.925 0.030 1 236 28 28 LEU HD2 H 0.925 0.030 1 237 28 28 LEU HG H 1.325 0.030 1 238 28 28 LEU C C 177.726 0.300 1 239 28 28 LEU CA C 57.786 0.300 1 240 28 28 LEU CB C 40.113 0.300 1 241 28 28 LEU CD1 C 26.321 0.300 2 242 28 28 LEU CD2 C 22.945 0.300 2 243 28 28 LEU CG C 27.430 0.300 1 244 28 28 LEU N N 123.906 0.300 1 245 29 29 ILE H H 7.446 0.030 1 246 29 29 ILE HA H 3.618 0.030 1 247 29 29 ILE HB H 1.854 0.030 1 248 29 29 ILE HD1 H 0.562 0.030 1 249 29 29 ILE HG12 H 1.031 0.030 2 250 29 29 ILE HG13 H 0.863 0.030 2 251 29 29 ILE HG2 H 0.760 0.030 1 252 29 29 ILE C C 179.601 0.300 1 253 29 29 ILE CA C 63.344 0.300 1 254 29 29 ILE CB C 36.011 0.300 1 255 29 29 ILE CD1 C 10.199 0.300 1 256 29 29 ILE CG1 C 26.951 0.300 1 257 29 29 ILE CG2 C 17.369 0.300 1 258 29 29 ILE N N 118.770 0.300 1 259 30 30 GLU H H 7.827 0.030 1 260 30 30 GLU HA H 3.950 0.030 1 261 30 30 GLU HB2 H 1.966 0.030 1 262 30 30 GLU HB3 H 1.966 0.030 1 263 30 30 GLU HG2 H 2.440 0.030 2 264 30 30 GLU HG3 H 2.194 0.030 2 265 30 30 GLU C C 178.835 0.300 1 266 30 30 GLU CA C 59.106 0.300 1 267 30 30 GLU CB C 29.732 0.300 1 268 30 30 GLU CG C 36.526 0.300 1 269 30 30 GLU N N 119.092 0.300 1 270 31 31 HIS H H 7.392 0.030 1 271 31 31 HIS HA H 4.207 0.030 1 272 31 31 HIS HB2 H 3.138 0.030 2 273 31 31 HIS HB3 H 2.827 0.030 2 274 31 31 HIS HD2 H 6.919 0.030 1 275 31 31 HIS HE1 H 8.004 0.030 1 276 31 31 HIS C C 176.340 0.300 1 277 31 31 HIS CA C 58.742 0.300 1 278 31 31 HIS CB C 28.551 0.300 1 279 31 31 HIS CD2 C 127.017 0.300 1 280 31 31 HIS CE1 C 139.705 0.300 1 281 31 31 HIS N N 118.457 0.300 1 282 32 32 GLN H H 8.129 0.030 1 283 32 32 GLN HA H 3.716 0.030 1 284 32 32 GLN HB2 H 2.297 0.030 2 285 32 32 GLN HB3 H 2.201 0.030 2 286 32 32 GLN HE21 H 7.384 0.030 2 287 32 32 GLN HE22 H 6.970 0.030 2 288 32 32 GLN HG2 H 2.807 0.030 1 289 32 32 GLN HG3 H 2.807 0.030 1 290 32 32 GLN C C 178.261 0.300 1 291 32 32 GLN CA C 59.284 0.300 1 292 32 32 GLN CB C 28.147 0.300 1 293 32 32 GLN CG C 35.099 0.300 1 294 32 32 GLN N N 115.768 0.300 1 295 32 32 GLN NE2 N 111.203 0.300 1 296 33 33 VAL H H 7.177 0.030 1 297 33 33 VAL HA H 3.823 0.030 1 298 33 33 VAL HB H 2.138 0.030 1 299 33 33 VAL HG1 H 1.059 0.030 1 300 33 33 VAL HG2 H 0.976 0.030 1 301 33 33 VAL C C 178.125 0.300 1 302 33 33 VAL CA C 65.138 0.300 1 303 33 33 VAL CB C 31.733 0.300 1 304 33 33 VAL CG1 C 21.526 0.300 2 305 33 33 VAL CG2 C 21.018 0.300 2 306 33 33 VAL N N 118.267 0.300 1 307 34 34 LEU H H 7.612 0.030 1 308 34 34 LEU HA H 4.002 0.030 1 309 34 34 LEU HB2 H 1.300 0.030 2 310 34 34 LEU HB3 H 1.152 0.030 2 311 34 34 LEU HD1 H 0.842 0.030 1 312 34 34 LEU HD2 H 0.784 0.030 1 313 34 34 LEU HG H 1.562 0.030 1 314 34 34 LEU C C 178.983 0.300 1 315 34 34 LEU CA C 56.844 0.300 1 316 34 34 LEU CB C 41.220 0.300 1 317 34 34 LEU CD1 C 24.825 0.300 2 318 34 34 LEU CD2 C 23.295 0.300 2 319 34 34 LEU CG C 26.912 0.300 1 320 34 34 LEU N N 119.735 0.300 1 321 35 35 HIS H H 7.195 0.030 1 322 35 35 HIS HA H 4.838 0.030 1 323 35 35 HIS HB2 H 3.377 0.030 2 324 35 35 HIS HB3 H 3.135 0.030 2 325 35 35 HIS HD2 H 6.726 0.030 1 326 35 35 HIS HE1 H 8.065 0.030 1 327 35 35 HIS C C 175.680 0.300 1 328 35 35 HIS CA C 55.089 0.300 1 329 35 35 HIS CB C 28.785 0.300 1 330 35 35 HIS CD2 C 127.311 0.300 1 331 35 35 HIS CE1 C 140.064 0.300 1 332 35 35 HIS N N 114.138 0.300 1 333 36 36 MET H H 7.672 0.030 1 334 36 36 MET HA H 4.454 0.030 1 335 36 36 MET HB2 H 2.209 0.030 2 336 36 36 MET HB3 H 2.132 0.030 2 337 36 36 MET HE H 2.118 0.030 1 338 36 36 MET HG2 H 2.722 0.030 2 339 36 36 MET HG3 H 2.626 0.030 2 340 36 36 MET C C 177.060 0.300 1 341 36 36 MET CA C 56.611 0.300 1 342 36 36 MET CB C 32.901 0.300 1 343 36 36 MET CE C 17.005 0.300 1 344 36 36 MET CG C 32.145 0.300 1 345 36 36 MET N N 119.074 0.300 1 346 37 37 GLY H H 8.320 0.030 1 347 37 37 GLY HA2 H 3.991 0.030 1 348 37 37 GLY HA3 H 3.991 0.030 1 349 37 37 GLY C C 174.183 0.300 1 350 37 37 GLY CA C 45.627 0.300 1 351 37 37 GLY N N 108.995 0.300 1 352 38 38 GLN H H 8.123 0.030 1 353 38 38 GLN HA H 4.341 0.030 1 354 38 38 GLN HB2 H 2.153 0.030 2 355 38 38 GLN HB3 H 2.041 0.030 2 356 38 38 GLN HG2 H 2.400 0.030 1 357 38 38 GLN HG3 H 2.400 0.030 1 358 38 38 GLN C C 176.263 0.300 1 359 38 38 GLN CA C 55.937 0.300 1 360 38 38 GLN CB C 29.468 0.300 1 361 38 38 GLN CG C 33.864 0.300 1 362 38 38 GLN N N 119.671 0.300 1 363 39 39 LYS H H 8.365 0.030 1 364 39 39 LYS HA H 4.352 0.030 1 365 39 39 LYS HB2 H 1.871 0.030 2 366 39 39 LYS HB3 H 1.811 0.030 2 367 39 39 LYS HD2 H 1.706 0.030 1 368 39 39 LYS HD3 H 1.706 0.030 1 369 39 39 LYS HE2 H 3.024 0.030 1 370 39 39 LYS HE3 H 3.024 0.030 1 371 39 39 LYS HG2 H 1.482 0.030 2 372 39 39 LYS HG3 H 1.436 0.030 2 373 39 39 LYS C C 176.434 0.300 1 374 39 39 LYS CA C 56.475 0.300 1 375 39 39 LYS CB C 32.975 0.300 1 376 39 39 LYS CD C 29.054 0.300 1 377 39 39 LYS CE C 42.221 0.300 1 378 39 39 LYS CG C 24.706 0.300 1 379 39 39 LYS N N 122.168 0.300 1 380 40 40 ASN H H 8.486 0.030 1 381 40 40 ASN HA H 4.810 0.030 1 382 40 40 ASN HB2 H 2.892 0.030 2 383 40 40 ASN HB3 H 2.805 0.030 2 384 40 40 ASN C C 175.113 0.300 1 385 40 40 ASN CA C 53.368 0.300 1 386 40 40 ASN CB C 39.061 0.300 1 387 40 40 ASN N N 119.880 0.300 1 388 41 41 SER H H 8.320 0.030 1 389 41 41 SER HA H 4.525 0.030 1 390 41 41 SER C C 174.468 0.300 1 391 41 41 SER CA C 58.355 0.300 1 392 41 41 SER CB C 64.149 0.300 1 393 41 41 SER N N 116.307 0.300 1 394 42 42 GLY H H 8.283 0.030 1 395 42 42 GLY C C 174.409 0.300 1 396 42 42 GLY CA C 44.682 0.300 1 397 42 42 GLY N N 110.723 0.300 1 398 43 43 PRO HA H 4.515 0.030 1 399 43 43 PRO HB2 H 2.322 0.030 2 400 43 43 PRO HB3 H 2.004 0.030 2 401 43 43 PRO HD2 H 3.663 0.030 1 402 43 43 PRO HD3 H 3.663 0.030 1 403 43 43 PRO HG2 H 2.051 0.030 1 404 43 43 PRO HG3 H 2.051 0.030 1 405 43 43 PRO C C 177.478 0.300 1 406 43 43 PRO CA C 63.329 0.300 1 407 43 43 PRO CB C 32.229 0.300 1 408 43 43 PRO CD C 49.843 0.300 1 409 43 43 PRO CG C 27.180 0.300 1 410 44 44 SER H H 8.519 0.030 1 411 44 44 SER HA H 4.554 0.030 1 412 44 44 SER HB2 H 3.342 0.030 2 413 44 44 SER C C 174.603 0.300 1 414 44 44 SER CA C 58.425 0.300 1 415 44 44 SER CB C 63.974 0.300 1 416 44 44 SER N N 116.379 0.300 1 417 45 45 SER H H 8.326 0.030 1 418 45 45 SER HA H 4.511 0.030 1 419 45 45 SER HB2 H 3.322 0.030 2 420 45 45 SER C C 173.838 0.300 1 421 45 45 SER CA C 58.390 0.300 1 422 45 45 SER CB C 64.185 0.300 1 423 45 45 SER N N 117.827 0.300 1 424 46 46 GLY H H 8.049 0.030 1 425 46 46 GLY C C 178.531 0.300 1 426 46 46 GLY CA C 46.228 0.300 1 427 46 46 GLY N N 116.871 0.300 1 stop_ save_