data_10218 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Solution structure of the C2H2 type zinc finger (region 355-385) of human Zinc finger protein 268 ; _BMRB_accession_number 10218 _BMRB_flat_file_name bmr10218.str _Entry_type original _Submission_date 2008-05-22 _Accession_date 2008-05-22 _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 Tochio N. . . 2 Tomizawa T. . . 3 Abe H. . . 4 Saito K. . . 5 Li H. . . 6 Sato M. . . 7 Koshiba S. . . 8 Kobayashi N. . . 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" 198 "13C chemical shifts" 146 "15N chemical shifts" 36 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2009-05-28 original author . stop_ _Original_release_date 2009-05-28 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 355-385) of human Zinc finger protein 268 ; _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 Tochio N. . . 2 Tomizawa T. . . 3 Abe H. . . 4 Saito K. . . 5 Li H. . . 6 Sato M. . . 7 Koshiba S. . . 8 Kobayashi N. . . 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 268' _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label 'zf-C2H2 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 'zf-C2H2 domain' _Molecular_mass . _Mol_thiol_state 'free and other bound' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 44 _Mol_residue_sequence ; GSSGSSGTGENPYECCECGK VFSRKDQLVSHQKTHSGQSG PSSG ; loop_ _Residue_seq_code _Residue_label 1 GLY 2 SER 3 SER 4 GLY 5 SER 6 SER 7 GLY 8 THR 9 GLY 10 GLU 11 ASN 12 PRO 13 TYR 14 GLU 15 CYS 16 CYS 17 GLU 18 CYS 19 GLY 20 LYS 21 VAL 22 PHE 23 SER 24 ARG 25 LYS 26 ASP 27 GLN 28 LEU 29 VAL 30 SER 31 HIS 32 GLN 33 LYS 34 THR 35 HIS 36 SER 37 GLY 38 GLN 39 SER 40 GLY 41 PRO 42 SER 43 SER 44 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 2EOJ "Solution Structure Of The C2h2 Type Zinc Finger (Region 355- 385) Of Human Zinc Finger Protein 268" 100.00 44 100.00 100.00 2.63e-21 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 . _Details ; Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Wed Dec 20 05:48:03 2006 ; loop_ _Atom_name _PDB_atom_name _Atom_type _Atom_chirality _Atom_charge _Atom_oxidation_number _Atom_unpaired_electrons ZN ZN ZN N 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' . . . . plasmid P061218-04 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 _Isotopic_labeling $entity_1 1.0 mM '[U-13C; U-15N]' d-Tris-HCl 20 mM . NaCl 100 mM . ZnCl2 0.05 mM . IDA 1 mM . d-DTT 1 mM . NaN3 0.02 % . H2O 90 % . D2O 10 % . stop_ save_ ############################ # Computer software used # ############################ save_software_1 _Saveframe_category software _Name xwinnmr _Version 3.5 loop_ _Vendor _Address _Electronic_address Bruker . . stop_ loop_ _Task collection stop_ _Details . save_ save_software_2 _Saveframe_category software _Name NMRPipe _Version 20030801 loop_ _Vendor _Address _Electronic_address 'Delaglio, F.' . . stop_ loop_ _Task processing stop_ _Details . save_ save_software_3 _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_software_4 _Saveframe_category software _Name Kujira _Version 0.9820 loop_ _Vendor _Address _Electronic_address 'Kobayashi, N.' . . stop_ loop_ _Task 'data analysis' stop_ _Details . save_ save_software_5 _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 296 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_ _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 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 4.008 0.030 2 2 7 7 GLY HA3 H 4.008 0.030 2 3 7 7 GLY C C 174.487 0.300 1 4 7 7 GLY CA C 45.536 0.300 1 5 8 8 THR H H 8.161 0.030 1 6 8 8 THR HA H 4.393 0.030 1 7 8 8 THR HB H 4.312 0.030 1 8 8 8 THR HG2 H 1.205 0.030 1 9 8 8 THR C C 175.248 0.300 1 10 8 8 THR CA C 61.821 0.300 1 11 8 8 THR CB C 69.873 0.300 1 12 8 8 THR CG2 C 21.513 0.300 1 13 8 8 THR N N 112.733 0.300 1 14 9 9 GLY H H 8.469 0.030 1 15 9 9 GLY HA2 H 4.008 0.030 1 16 9 9 GLY HA3 H 4.008 0.030 1 17 9 9 GLY C C 174.052 0.300 1 18 9 9 GLY CA C 45.528 0.300 1 19 9 9 GLY N N 111.035 0.300 1 20 10 10 GLU H H 8.214 0.030 1 21 10 10 GLU HA H 4.246 0.030 1 22 10 10 GLU HB2 H 1.874 0.030 2 23 10 10 GLU HB3 H 2.012 0.030 2 24 10 10 GLU HG2 H 2.225 0.030 1 25 10 10 GLU HG3 H 2.225 0.030 1 26 10 10 GLU C C 175.942 0.300 1 27 10 10 GLU CA C 56.603 0.300 1 28 10 10 GLU CB C 30.592 0.300 1 29 10 10 GLU CG C 36.283 0.300 1 30 10 10 GLU N N 119.967 0.300 1 31 11 11 ASN H H 8.407 0.030 1 32 11 11 ASN HA H 4.947 0.030 1 33 11 11 ASN HB2 H 2.573 0.030 1 34 11 11 ASN HB3 H 2.573 0.030 1 35 11 11 ASN HD21 H 6.872 0.030 2 36 11 11 ASN HD22 H 7.539 0.030 2 37 11 11 ASN C C 172.759 0.300 1 38 11 11 ASN CA C 51.229 0.300 1 39 11 11 ASN CB C 39.486 0.300 1 40 11 11 ASN N N 119.687 0.300 1 41 11 11 ASN ND2 N 114.224 0.300 1 42 12 12 PRO HA H 4.295 0.030 1 43 12 12 PRO HB2 H 1.409 0.030 2 44 12 12 PRO HB3 H 2.045 0.030 2 45 12 12 PRO HD2 H 3.649 0.030 1 46 12 12 PRO HD3 H 3.649 0.030 1 47 12 12 PRO HG2 H 1.844 0.030 2 48 12 12 PRO HG3 H 1.643 0.030 2 49 12 12 PRO C C 176.280 0.300 1 50 12 12 PRO CA C 63.512 0.300 1 51 12 12 PRO CB C 32.183 0.300 1 52 12 12 PRO CD C 50.361 0.300 1 53 12 12 PRO CG C 26.760 0.300 1 54 13 13 TYR H H 8.160 0.030 1 55 13 13 TYR HA H 4.694 0.030 1 56 13 13 TYR HB2 H 3.003 0.030 2 57 13 13 TYR HB3 H 2.947 0.030 2 58 13 13 TYR HD1 H 7.008 0.030 1 59 13 13 TYR HD2 H 7.008 0.030 1 60 13 13 TYR HE1 H 6.871 0.030 1 61 13 13 TYR HE2 H 6.871 0.030 1 62 13 13 TYR C C 173.960 0.300 1 63 13 13 TYR CA C 56.912 0.300 1 64 13 13 TYR CB C 38.357 0.300 1 65 13 13 TYR CD1 C 133.020 0.300 1 66 13 13 TYR CD2 C 133.020 0.300 1 67 13 13 TYR CE1 C 118.490 0.300 1 68 13 13 TYR CE2 C 118.490 0.300 1 69 13 13 TYR N N 118.775 0.300 1 70 14 14 GLU H H 8.335 0.030 1 71 14 14 GLU HA H 5.017 0.030 1 72 14 14 GLU HB2 H 1.910 0.030 2 73 14 14 GLU HB3 H 1.822 0.030 2 74 14 14 GLU HG2 H 1.976 0.030 2 75 14 14 GLU HG3 H 1.905 0.030 2 76 14 14 GLU C C 175.182 0.300 1 77 14 14 GLU CA C 54.455 0.300 1 78 14 14 GLU CB C 33.214 0.300 1 79 14 14 GLU CG C 35.854 0.300 1 80 14 14 GLU N N 123.792 0.300 1 81 15 15 CYS H H 9.398 0.030 1 82 15 15 CYS HA H 4.648 0.030 1 83 15 15 CYS HB2 H 2.888 0.030 2 84 15 15 CYS HB3 H 3.444 0.030 2 85 15 15 CYS C C 177.220 0.300 1 86 15 15 CYS CA C 59.337 0.300 1 87 15 15 CYS CB C 29.644 0.300 1 88 15 15 CYS N N 127.444 0.300 1 89 16 16 CYS H H 9.319 0.030 1 90 16 16 CYS HA H 4.475 0.030 1 91 16 16 CYS HB2 H 3.106 0.030 1 92 16 16 CYS HB3 H 3.106 0.030 1 93 16 16 CYS C C 174.596 0.300 1 94 16 16 CYS CA C 60.515 0.300 1 95 16 16 CYS CB C 27.201 0.300 1 96 16 16 CYS N N 130.435 0.300 1 97 17 17 GLU H H 8.688 0.030 1 98 17 17 GLU HA H 4.287 0.030 1 99 17 17 GLU HB2 H 1.441 0.030 1 100 17 17 GLU HB3 H 1.441 0.030 1 101 17 17 GLU HG2 H 1.962 0.030 2 102 17 17 GLU HG3 H 1.840 0.030 2 103 17 17 GLU C C 177.134 0.300 1 104 17 17 GLU CA C 58.287 0.300 1 105 17 17 GLU CB C 29.747 0.300 1 106 17 17 GLU CG C 35.821 0.300 1 107 17 17 GLU N N 122.479 0.300 1 108 18 18 CYS H H 7.912 0.030 1 109 18 18 CYS HA H 5.182 0.030 1 110 18 18 CYS HB2 H 2.882 0.030 2 111 18 18 CYS HB3 H 3.439 0.030 2 112 18 18 CYS C C 176.224 0.300 1 113 18 18 CYS CA C 58.452 0.300 1 114 18 18 CYS CB C 32.577 0.300 1 115 18 18 CYS N N 114.583 0.300 1 116 19 19 GLY H H 8.302 0.030 1 117 19 19 GLY HA2 H 3.918 0.030 2 118 19 19 GLY HA3 H 4.235 0.030 2 119 19 19 GLY C C 173.879 0.300 1 120 19 19 GLY CA C 46.133 0.300 1 121 19 19 GLY N N 113.493 0.300 1 122 20 20 LYS H H 7.918 0.030 1 123 20 20 LYS HA H 4.006 0.030 1 124 20 20 LYS HB2 H 1.327 0.030 2 125 20 20 LYS HB3 H 1.206 0.030 2 126 20 20 LYS HD2 H 1.475 0.030 1 127 20 20 LYS HD3 H 1.475 0.030 1 128 20 20 LYS HE2 H 2.937 0.030 2 129 20 20 LYS HE3 H 3.000 0.030 2 130 20 20 LYS HG2 H 1.482 0.030 2 131 20 20 LYS HG3 H 1.119 0.030 2 132 20 20 LYS C C 174.253 0.300 1 133 20 20 LYS CA C 58.177 0.300 1 134 20 20 LYS CB C 33.916 0.300 1 135 20 20 LYS CD C 29.290 0.300 1 136 20 20 LYS CE C 42.178 0.300 1 137 20 20 LYS CG C 26.516 0.300 1 138 20 20 LYS N N 122.419 0.300 1 139 21 21 VAL H H 7.565 0.030 1 140 21 21 VAL HA H 4.798 0.030 1 141 21 21 VAL HB H 1.830 0.030 1 142 21 21 VAL HG1 H 0.821 0.030 1 143 21 21 VAL HG2 H 0.789 0.030 1 144 21 21 VAL C C 175.151 0.300 1 145 21 21 VAL CA C 60.194 0.300 1 146 21 21 VAL CB C 34.074 0.300 1 147 21 21 VAL CG1 C 21.778 0.300 2 148 21 21 VAL CG2 C 20.153 0.300 2 149 21 21 VAL N N 116.838 0.300 1 150 22 22 PHE H H 8.603 0.030 1 151 22 22 PHE HA H 4.787 0.030 1 152 22 22 PHE HB2 H 2.656 0.030 2 153 22 22 PHE HB3 H 3.489 0.030 2 154 22 22 PHE HD1 H 7.153 0.030 1 155 22 22 PHE HD2 H 7.153 0.030 1 156 22 22 PHE HE1 H 6.835 0.030 1 157 22 22 PHE HE2 H 6.835 0.030 1 158 22 22 PHE HZ H 6.117 0.030 1 159 22 22 PHE C C 175.198 0.300 1 160 22 22 PHE CA C 56.970 0.300 1 161 22 22 PHE CB C 43.313 0.300 1 162 22 22 PHE CD1 C 132.294 0.300 1 163 22 22 PHE CD2 C 132.294 0.300 1 164 22 22 PHE CE1 C 130.555 0.300 1 165 22 22 PHE CE2 C 130.555 0.300 1 166 22 22 PHE CZ C 128.670 0.300 1 167 22 22 PHE N N 121.088 0.300 1 168 23 23 SER H H 8.908 0.030 1 169 23 23 SER HA H 4.678 0.030 1 170 23 23 SER HB2 H 4.122 0.030 2 171 23 23 SER HB3 H 4.083 0.030 2 172 23 23 SER C C 174.535 0.300 1 173 23 23 SER CA C 60.208 0.300 1 174 23 23 SER CB C 64.284 0.300 1 175 23 23 SER N N 115.507 0.300 1 176 24 24 ARG H H 7.696 0.030 1 177 24 24 ARG HA H 4.727 0.030 1 178 24 24 ARG HB2 H 1.561 0.030 2 179 24 24 ARG HB3 H 2.056 0.030 2 180 24 24 ARG HD2 H 3.280 0.030 1 181 24 24 ARG HD3 H 3.280 0.030 1 182 24 24 ARG HG2 H 1.624 0.030 1 183 24 24 ARG HG3 H 1.624 0.030 1 184 24 24 ARG C C 176.245 0.300 1 185 24 24 ARG CA C 54.240 0.300 1 186 24 24 ARG CB C 35.386 0.300 1 187 24 24 ARG CD C 43.509 0.300 1 188 24 24 ARG CG C 27.033 0.300 1 189 24 24 ARG N N 117.322 0.300 1 190 25 25 LYS H H 8.456 0.030 1 191 25 25 LYS HA H 3.035 0.030 1 192 25 25 LYS HB2 H 1.348 0.030 2 193 25 25 LYS HB3 H 1.612 0.030 2 194 25 25 LYS HD2 H 1.593 0.030 2 195 25 25 LYS HD3 H 1.661 0.030 2 196 25 25 LYS HE2 H 2.953 0.030 2 197 25 25 LYS HE3 H 2.890 0.030 2 198 25 25 LYS HG2 H 1.294 0.030 2 199 25 25 LYS HG3 H 1.158 0.030 2 200 25 25 LYS C C 177.886 0.300 1 201 25 25 LYS CA C 59.309 0.300 1 202 25 25 LYS CB C 31.983 0.300 1 203 25 25 LYS CD C 29.140 0.300 1 204 25 25 LYS CE C 42.085 0.300 1 205 25 25 LYS CG C 24.755 0.300 1 206 25 25 LYS N N 125.034 0.300 1 207 26 26 ASP H H 8.540 0.030 1 208 26 26 ASP HA H 4.142 0.030 1 209 26 26 ASP HB2 H 2.648 0.030 2 210 26 26 ASP HB3 H 2.590 0.030 2 211 26 26 ASP C C 178.695 0.300 1 212 26 26 ASP CA C 56.780 0.300 1 213 26 26 ASP CB C 39.330 0.300 1 214 26 26 ASP N N 114.989 0.300 1 215 27 27 GLN H H 6.981 0.030 1 216 27 27 GLN HA H 3.987 0.030 1 217 27 27 GLN HB2 H 2.041 0.030 2 218 27 27 GLN HB3 H 2.436 0.030 2 219 27 27 GLN HE21 H 7.012 0.030 2 220 27 27 GLN HE22 H 7.551 0.030 2 221 27 27 GLN HG2 H 2.456 0.030 2 222 27 27 GLN HG3 H 2.358 0.030 2 223 27 27 GLN C C 178.473 0.300 1 224 27 27 GLN CA C 57.612 0.300 1 225 27 27 GLN CB C 28.915 0.300 1 226 27 27 GLN CG C 34.150 0.300 1 227 27 27 GLN N N 119.394 0.300 1 228 27 27 GLN NE2 N 111.108 0.300 1 229 28 28 LEU H H 6.969 0.030 1 230 28 28 LEU HA H 3.249 0.030 1 231 28 28 LEU HB2 H 1.268 0.030 2 232 28 28 LEU HB3 H 2.059 0.030 2 233 28 28 LEU HD1 H 1.023 0.030 1 234 28 28 LEU HD2 H 1.058 0.030 1 235 28 28 LEU HG H 1.540 0.030 1 236 28 28 LEU C C 177.627 0.300 1 237 28 28 LEU CA C 57.956 0.300 1 238 28 28 LEU CB C 40.568 0.300 1 239 28 28 LEU CD1 C 22.861 0.300 2 240 28 28 LEU CD2 C 26.478 0.300 2 241 28 28 LEU CG C 27.441 0.300 1 242 28 28 LEU N N 121.993 0.300 1 243 29 29 VAL H H 8.261 0.030 1 244 29 29 VAL HA H 3.704 0.030 1 245 29 29 VAL HB H 1.962 0.030 1 246 29 29 VAL HG1 H 0.911 0.030 1 247 29 29 VAL HG2 H 0.999 0.030 1 248 29 29 VAL C C 179.259 0.300 1 249 29 29 VAL CA C 66.532 0.300 1 250 29 29 VAL CB C 31.765 0.300 1 251 29 29 VAL CG1 C 20.975 0.300 2 252 29 29 VAL CG2 C 22.550 0.300 2 253 29 29 VAL N N 119.585 0.300 1 254 30 30 SER H H 7.721 0.030 1 255 30 30 SER HA H 4.104 0.030 1 256 30 30 SER HB2 H 3.851 0.030 1 257 30 30 SER HB3 H 3.851 0.030 1 258 30 30 SER C C 177.207 0.300 1 259 30 30 SER CA C 61.647 0.300 1 260 30 30 SER CB C 62.575 0.300 1 261 30 30 SER N N 113.762 0.300 1 262 31 31 HIS H H 7.676 0.030 1 263 31 31 HIS HA H 4.271 0.030 1 264 31 31 HIS HB2 H 2.876 0.030 2 265 31 31 HIS HB3 H 3.091 0.030 2 266 31 31 HIS HD2 H 6.951 0.030 1 267 31 31 HIS HE1 H 8.004 0.030 1 268 31 31 HIS C C 177.982 0.300 1 269 31 31 HIS CA C 59.051 0.300 1 270 31 31 HIS CB C 28.436 0.300 1 271 31 31 HIS CD2 C 127.306 0.300 1 272 31 31 HIS CE1 C 139.448 0.300 1 273 31 31 HIS N N 120.492 0.300 1 274 32 32 GLN H H 8.881 0.030 1 275 32 32 GLN HA H 3.718 0.030 1 276 32 32 GLN HB2 H 2.192 0.030 2 277 32 32 GLN HB3 H 2.391 0.030 2 278 32 32 GLN HE21 H 7.697 0.030 2 279 32 32 GLN HE22 H 6.946 0.030 2 280 32 32 GLN HG2 H 2.857 0.030 2 281 32 32 GLN HG3 H 2.793 0.030 2 282 32 32 GLN C C 177.983 0.300 1 283 32 32 GLN CA C 59.912 0.300 1 284 32 32 GLN CB C 28.124 0.300 1 285 32 32 GLN CG C 35.591 0.300 1 286 32 32 GLN N N 120.621 0.300 1 287 32 32 GLN NE2 N 111.980 0.300 1 288 33 33 LYS H H 7.245 0.030 1 289 33 33 LYS HA H 4.151 0.030 1 290 33 33 LYS HB2 H 1.924 0.030 2 291 33 33 LYS HB3 H 1.889 0.030 2 292 33 33 LYS HD2 H 1.701 0.030 1 293 33 33 LYS HD3 H 1.701 0.030 1 294 33 33 LYS HE2 H 2.955 0.030 1 295 33 33 LYS HE3 H 2.955 0.030 1 296 33 33 LYS HG2 H 1.674 0.030 2 297 33 33 LYS HG3 H 1.516 0.030 2 298 33 33 LYS C C 178.380 0.300 1 299 33 33 LYS CA C 58.671 0.300 1 300 33 33 LYS CB C 32.152 0.300 1 301 33 33 LYS CD C 29.131 0.300 1 302 33 33 LYS CE C 42.137 0.300 1 303 33 33 LYS CG C 25.254 0.300 1 304 33 33 LYS N N 117.710 0.300 1 305 34 34 THR H H 7.753 0.030 1 306 34 34 THR HA H 4.151 0.030 1 307 34 34 THR HB H 4.044 0.030 1 308 34 34 THR HG2 H 1.157 0.030 1 309 34 34 THR C C 175.449 0.300 1 310 34 34 THR CA C 63.751 0.300 1 311 34 34 THR CB C 69.354 0.300 1 312 34 34 THR CG2 C 20.882 0.300 1 313 34 34 THR N N 109.516 0.300 1 314 35 35 HIS H H 7.153 0.030 1 315 35 35 HIS HA H 4.874 0.030 1 316 35 35 HIS HB2 H 3.156 0.030 2 317 35 35 HIS HB3 H 3.350 0.030 2 318 35 35 HIS HD2 H 6.654 0.030 1 319 35 35 HIS HE1 H 8.029 0.030 1 320 35 35 HIS C C 175.240 0.300 1 321 35 35 HIS CA C 55.228 0.300 1 322 35 35 HIS CB C 28.899 0.300 1 323 35 35 HIS CD2 C 126.921 0.300 1 324 35 35 HIS CE1 C 139.820 0.300 1 325 35 35 HIS N N 118.672 0.300 1 326 36 36 SER H H 7.936 0.030 1 327 36 36 SER HB2 H 3.935 0.030 1 328 36 36 SER HB3 H 3.935 0.030 1 329 36 36 SER C C 175.155 0.300 1 330 36 36 SER CA C 58.865 0.300 1 331 36 36 SER CB C 63.926 0.300 1 332 36 36 SER N N 115.177 0.300 1 333 37 37 GLY HA2 H 4.000 0.030 2 334 37 37 GLY HA3 H 3.924 0.030 2 335 37 37 GLY C C 174.151 0.300 1 336 37 37 GLY CA C 45.327 0.300 1 337 38 38 GLN H H 8.214 0.030 1 338 38 38 GLN HA H 4.419 0.030 1 339 38 38 GLN HB2 H 1.999 0.030 2 340 38 38 GLN HB3 H 2.167 0.030 2 341 38 38 GLN HE21 H 7.543 0.030 2 342 38 38 GLN HE22 H 6.867 0.030 2 343 38 38 GLN HG2 H 2.375 0.030 2 344 38 38 GLN C C 176.047 0.300 1 345 38 38 GLN CA C 55.808 0.300 1 346 38 38 GLN CB C 29.587 0.300 1 347 38 38 GLN CG C 33.764 0.300 1 348 38 38 GLN N N 119.770 0.300 1 349 38 38 GLN NE2 N 112.707 0.300 1 350 39 39 SER H H 8.420 0.030 1 351 39 39 SER HA H 4.510 0.030 1 352 39 39 SER HB2 H 3.915 0.030 1 353 39 39 SER HB3 H 3.915 0.030 1 354 39 39 SER C C 174.504 0.300 1 355 39 39 SER CA C 58.371 0.300 1 356 39 39 SER CB C 64.007 0.300 1 357 39 39 SER N N 117.120 0.300 1 358 40 40 GLY H H 8.269 0.030 1 359 40 40 GLY HA2 H 4.108 0.030 2 360 40 40 GLY HA3 H 4.182 0.030 2 361 40 40 GLY C C 171.768 0.300 1 362 40 40 GLY CA C 44.645 0.300 1 363 40 40 GLY N N 110.759 0.300 1 364 41 41 PRO HA H 4.490 0.030 1 365 41 41 PRO HB2 H 1.980 0.030 2 366 41 41 PRO HB3 H 2.305 0.030 2 367 41 41 PRO HD2 H 3.640 0.030 1 368 41 41 PRO HD3 H 3.640 0.030 1 369 41 41 PRO HG2 H 2.028 0.030 1 370 41 41 PRO HG3 H 2.028 0.030 1 371 41 41 PRO C C 177.377 0.300 1 372 41 41 PRO CA C 63.244 0.300 1 373 41 41 PRO CB C 32.185 0.300 1 374 41 41 PRO CD C 49.835 0.300 1 375 41 41 PRO CG C 27.132 0.300 1 376 42 42 SER H H 8.514 0.030 1 377 42 42 SER C C 174.655 0.300 1 378 42 42 SER CA C 58.447 0.300 1 379 42 42 SER CB C 64.027 0.300 1 380 42 42 SER N N 116.459 0.300 1 stop_ save_