data_10184 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Solution structure of the C2H2 type zinc finger (region 463-495) of human Zinc finger protein 484 ; _BMRB_accession_number 10184 _BMRB_flat_file_name bmr10184.str _Entry_type original _Submission_date 2008-02-06 _Accession_date 2008-02-08 _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 Tomizawa T. . . 2 Tochio N. . . 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" 222 "13C chemical shifts" 164 "15N chemical shifts" 36 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2009-02-26 original author . stop_ _Original_release_date 2009-02-26 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 463-495) of human Zinc finger protein 484 ; _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 484' _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 ; GSSGSSGTGENPFICSECGK VFTHKTNLIIHQKIHTGERP SGPSSG ; 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 PHE 14 ILE 15 CYS 16 SER 17 GLU 18 CYS 19 GLY 20 LYS 21 VAL 22 PHE 23 THR 24 HIS 25 LYS 26 THR 27 ASN 28 LEU 29 ILE 30 ILE 31 HIS 32 GLN 33 LYS 34 ILE 35 HIS 36 THR 37 GLY 38 GLU 39 ARG 40 PRO 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 2EMG "Solution Structure Of The C2h2 Type Zinc Finger (Region 463- 495) Of Human Zinc Finger Protein 484" 100.00 46 100.00 100.00 5.65e-23 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 P070115-41 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 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_ _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 7 7 GLY CA C 45.450 0.300 1 2 7 7 GLY HA3 H 4.030 0.030 1 3 7 7 GLY HA2 H 4.030 0.030 1 4 8 8 THR N N 112.777 0.300 1 5 8 8 THR H H 8.142 0.030 1 6 8 8 THR CA C 61.874 0.300 1 7 8 8 THR HA H 4.374 0.030 1 8 8 8 THR CB C 69.838 0.300 1 9 8 8 THR HB H 4.304 0.030 1 10 8 8 THR CG2 C 21.547 0.300 1 11 8 8 THR HG2 H 1.190 0.030 1 12 8 8 THR C C 174.631 0.300 1 13 9 9 GLY N N 110.604 0.300 1 14 9 9 GLY H H 8.219 0.030 1 15 9 9 GLY CA C 45.339 0.300 1 16 9 9 GLY HA3 H 3.974 0.030 2 17 9 9 GLY C C 173.976 0.300 1 18 9 9 GLY HA2 H 3.929 0.030 2 19 10 10 GLU N N 120.077 0.300 1 20 10 10 GLU H H 8.193 0.030 1 21 10 10 GLU CA C 56.334 0.300 1 22 10 10 GLU HA H 4.257 0.030 1 23 10 10 GLU CB C 30.542 0.300 1 24 10 10 GLU HB3 H 2.000 0.030 2 25 10 10 GLU CG C 36.295 0.300 1 26 10 10 GLU HG3 H 2.211 0.030 1 27 10 10 GLU C C 175.869 0.300 1 28 10 10 GLU HB2 H 1.849 0.030 2 29 10 10 GLU HG2 H 2.211 0.030 1 30 11 11 ASN N N 120.072 0.300 1 31 11 11 ASN H H 8.365 0.030 1 32 11 11 ASN CA C 51.358 0.300 1 33 11 11 ASN HA H 4.872 0.030 1 34 11 11 ASN CB C 39.215 0.300 1 35 11 11 ASN HB3 H 2.625 0.030 2 36 11 11 ASN ND2 N 113.574 0.300 1 37 11 11 ASN HD21 H 6.886 0.030 2 38 11 11 ASN HD22 H 7.487 0.030 2 39 11 11 ASN C C 173.417 0.300 1 40 11 11 ASN HB2 H 2.546 0.030 2 41 12 12 PRO CA C 63.071 0.300 1 42 12 12 PRO HA H 4.304 0.030 1 43 12 12 PRO CB C 32.343 0.300 1 44 12 12 PRO HB3 H 1.547 0.030 2 45 12 12 PRO CG C 26.754 0.300 1 46 12 12 PRO HG3 H 1.627 0.030 2 47 12 12 PRO CD C 50.264 0.300 1 48 12 12 PRO HD3 H 3.598 0.030 2 49 12 12 PRO C C 175.981 0.300 1 50 12 12 PRO HB2 H 2.038 0.030 2 51 12 12 PRO HD2 H 3.545 0.030 2 52 12 12 PRO HG2 H 1.847 0.030 2 53 13 13 PHE N N 119.314 0.300 1 54 13 13 PHE H H 8.292 0.030 1 55 13 13 PHE CA C 57.055 0.300 1 56 13 13 PHE HA H 4.705 0.030 1 57 13 13 PHE CB C 39.402 0.300 1 58 13 13 PHE HB3 H 3.040 0.030 1 59 13 13 PHE CD1 C 131.664 0.300 1 60 13 13 PHE HD1 H 7.129 0.030 1 61 13 13 PHE CD2 C 131.664 0.300 1 62 13 13 PHE HD2 H 7.129 0.030 1 63 13 13 PHE CE1 C 131.664 0.300 1 64 13 13 PHE HE1 H 7.405 0.030 1 65 13 13 PHE CE2 C 131.664 0.300 1 66 13 13 PHE HE2 H 7.405 0.030 1 67 13 13 PHE CZ C 130.086 0.300 1 68 13 13 PHE HZ H 7.388 0.030 1 69 13 13 PHE C C 174.054 0.300 1 70 13 13 PHE HB2 H 3.040 0.030 1 71 14 14 ILE N N 122.850 0.300 1 72 14 14 ILE H H 8.311 0.030 1 73 14 14 ILE CA C 59.824 0.300 1 74 14 14 ILE HA H 4.848 0.030 1 75 14 14 ILE CB C 41.237 0.300 1 76 14 14 ILE HB H 1.586 0.030 1 77 14 14 ILE CG1 C 28.093 0.300 1 78 14 14 ILE HG13 H 1.424 0.030 2 79 14 14 ILE CG2 C 16.641 0.300 1 80 14 14 ILE HG2 H 0.729 0.030 1 81 14 14 ILE CD1 C 13.727 0.300 1 82 14 14 ILE HD1 H 0.804 0.030 1 83 14 14 ILE C C 175.774 0.300 1 84 14 14 ILE HG12 H 0.905 0.030 2 85 15 15 CYS N N 129.055 0.300 1 86 15 15 CYS H H 9.276 0.030 1 87 15 15 CYS CA C 59.920 0.300 1 88 15 15 CYS HA H 4.586 0.030 1 89 15 15 CYS CB C 29.432 0.300 1 90 15 15 CYS HB3 H 2.915 0.030 2 91 15 15 CYS C C 177.331 0.300 1 92 15 15 CYS HB2 H 3.421 0.030 2 93 16 16 SER N N 114.664 0.300 1 94 16 16 SER H H 9.283 0.030 1 95 16 16 SER CA C 61.085 0.300 1 96 16 16 SER HA H 4.215 0.030 1 97 16 16 SER CB C 63.030 0.300 1 98 16 16 SER HB3 H 4.003 0.030 2 99 16 16 SER C C 174.495 0.300 1 100 16 16 SER HB2 H 4.047 0.030 2 101 17 17 GLU N N 122.474 0.300 1 102 17 17 GLU H H 8.603 0.030 1 103 17 17 GLU CA C 58.006 0.300 1 104 17 17 GLU HA H 4.251 0.030 1 105 17 17 GLU CB C 29.542 0.300 1 106 17 17 GLU HB3 H 1.258 0.030 2 107 17 17 GLU CG C 35.794 0.300 1 108 17 17 GLU HG3 H 1.801 0.030 2 109 17 17 GLU C C 177.153 0.300 1 110 17 17 GLU HB2 H 1.331 0.030 2 111 17 17 GLU HG2 H 1.888 0.030 2 112 18 18 CYS N N 114.558 0.300 1 113 18 18 CYS H H 7.882 0.030 1 114 18 18 CYS CA C 58.430 0.300 1 115 18 18 CYS HA H 5.183 0.030 1 116 18 18 CYS CB C 32.630 0.300 1 117 18 18 CYS HB3 H 2.855 0.030 2 118 18 18 CYS C C 176.361 0.300 1 119 18 18 CYS HB2 H 3.454 0.030 2 120 19 19 GLY N N 113.615 0.300 1 121 19 19 GLY H H 8.332 0.030 1 122 19 19 GLY CA C 46.106 0.300 1 123 19 19 GLY HA3 H 3.733 0.030 2 124 19 19 GLY C C 173.422 0.300 1 125 19 19 GLY HA2 H 4.186 0.030 2 126 20 20 LYS N N 122.607 0.300 1 127 20 20 LYS H H 7.917 0.030 1 128 20 20 LYS CA C 58.336 0.300 1 129 20 20 LYS HA H 3.994 0.030 1 130 20 20 LYS CB C 33.765 0.300 1 131 20 20 LYS HB3 H 1.223 0.030 2 132 20 20 LYS CG C 26.363 0.300 1 133 20 20 LYS HG3 H 1.421 0.030 2 134 20 20 LYS CD C 29.306 0.300 1 135 20 20 LYS HD3 H 1.495 0.030 2 136 20 20 LYS CE C 42.100 0.300 1 137 20 20 LYS HE3 H 2.865 0.030 2 138 20 20 LYS C C 174.018 0.300 1 139 20 20 LYS HB2 H 1.470 0.030 2 140 20 20 LYS HD2 H 1.384 0.030 2 141 20 20 LYS HE2 H 2.908 0.030 2 142 20 20 LYS HG2 H 1.010 0.030 2 143 21 21 VAL N N 119.988 0.300 1 144 21 21 VAL H H 7.622 0.030 1 145 21 21 VAL CA C 61.260 0.300 1 146 21 21 VAL HA H 4.565 0.030 1 147 21 21 VAL CB C 33.625 0.300 1 148 21 21 VAL HB H 1.759 0.030 1 149 21 21 VAL CG1 C 21.805 0.300 2 150 21 21 VAL HG1 H 0.809 0.030 1 151 21 21 VAL CG2 C 20.881 0.300 2 152 21 21 VAL HG2 H 0.863 0.030 1 153 21 21 VAL C C 175.348 0.300 1 154 22 22 PHE N N 122.931 0.300 1 155 22 22 PHE H H 8.909 0.030 1 156 22 22 PHE CA C 57.177 0.300 1 157 22 22 PHE HA H 4.774 0.030 1 158 22 22 PHE CB C 42.896 0.300 1 159 22 22 PHE HB3 H 2.716 0.030 2 160 22 22 PHE CD1 C 132.400 0.300 1 161 22 22 PHE HD1 H 7.244 0.030 1 162 22 22 PHE CD2 C 132.400 0.300 1 163 22 22 PHE HD2 H 7.244 0.030 1 164 22 22 PHE CE1 C 130.606 0.300 1 165 22 22 PHE HE1 H 6.848 0.030 1 166 22 22 PHE CE2 C 130.606 0.300 1 167 22 22 PHE HE2 H 6.848 0.030 1 168 22 22 PHE CZ C 128.720 0.300 1 169 22 22 PHE HZ H 6.186 0.030 1 170 22 22 PHE C C 175.213 0.300 1 171 22 22 PHE HB2 H 3.361 0.030 2 172 23 23 THR N N 113.904 0.300 1 173 23 23 THR H H 8.911 0.030 1 174 23 23 THR CA C 63.768 0.300 1 175 23 23 THR HA H 4.347 0.030 1 176 23 23 THR CB C 69.464 0.300 1 177 23 23 THR HB H 4.229 0.030 1 178 23 23 THR CG2 C 21.881 0.300 1 179 23 23 THR HG2 H 1.107 0.030 1 180 23 23 THR C C 174.304 0.300 1 181 24 24 HIS N N 118.243 0.300 1 182 24 24 HIS H H 7.673 0.030 1 183 24 24 HIS CA C 55.567 0.300 1 184 24 24 HIS HA H 4.801 0.030 1 185 24 24 HIS CB C 33.368 0.300 1 186 24 24 HIS HB3 H 3.008 0.030 2 187 24 24 HIS CD2 C 119.421 0.300 1 188 24 24 HIS HD2 H 7.166 0.030 1 189 24 24 HIS CE1 C 138.840 0.300 1 190 24 24 HIS HE1 H 7.806 0.030 1 191 24 24 HIS C C 175.494 0.300 1 192 24 24 HIS HB2 H 3.173 0.030 2 193 25 25 LYS N N 127.606 0.300 1 194 25 25 LYS H H 8.431 0.030 1 195 25 25 LYS CA C 59.580 0.300 1 196 25 25 LYS HA H 2.970 0.030 1 197 25 25 LYS CB C 31.932 0.300 1 198 25 25 LYS HB3 H 1.087 0.030 2 199 25 25 LYS CG C 24.892 0.300 1 200 25 25 LYS HG3 H 1.239 0.030 2 201 25 25 LYS CD C 29.206 0.300 1 202 25 25 LYS HD3 H 1.546 0.030 2 203 25 25 LYS CE C 42.078 0.300 1 204 25 25 LYS C C 178.019 0.300 1 205 25 25 LYS HB2 H 1.463 0.030 2 206 25 25 LYS HD2 H 1.585 0.030 2 207 25 25 LYS HE2 H 2.972 0.030 2 208 25 25 LYS HG2 H 1.007 0.030 2 209 26 26 THR N N 111.783 0.300 1 210 26 26 THR H H 8.670 0.030 1 211 26 26 THR CA C 65.774 0.300 1 212 26 26 THR HA H 3.753 0.030 1 213 26 26 THR CB C 68.322 0.300 1 214 26 26 THR HB H 4.004 0.030 1 215 26 26 THR CG2 C 22.261 0.300 1 216 26 26 THR HG2 H 1.207 0.030 1 217 26 26 THR C C 176.052 0.300 1 218 27 27 ASN N N 116.833 0.300 1 219 27 27 ASN H H 6.988 0.030 1 220 27 27 ASN CA C 55.638 0.300 1 221 27 27 ASN HA H 4.441 0.030 1 222 27 27 ASN CB C 38.215 0.300 1 223 27 27 ASN HB3 H 2.964 0.030 1 224 27 27 ASN ND2 N 113.074 0.300 1 225 27 27 ASN HD21 H 7.188 0.030 2 226 27 27 ASN HD22 H 8.049 0.030 2 227 27 27 ASN C C 177.347 0.300 1 228 27 27 ASN HB2 H 2.964 0.030 1 229 28 28 LEU N N 122.994 0.300 1 230 28 28 LEU H H 6.999 0.030 1 231 28 28 LEU CA C 57.966 0.300 1 232 28 28 LEU HA H 2.973 0.030 1 233 28 28 LEU CB C 40.441 0.300 1 234 28 28 LEU HB3 H 1.085 0.030 2 235 28 28 LEU CG C 27.444 0.300 1 236 28 28 LEU HG H 1.449 0.030 1 237 28 28 LEU CD1 C 26.586 0.300 2 238 28 28 LEU HD1 H 0.986 0.030 1 239 28 28 LEU CD2 C 22.992 0.300 2 240 28 28 LEU HD2 H 0.954 0.030 1 241 28 28 LEU C C 177.008 0.300 1 242 28 28 LEU HB2 H 1.997 0.030 2 243 29 29 ILE N N 119.568 0.300 1 244 29 29 ILE H H 7.936 0.030 1 245 29 29 ILE CA C 64.632 0.300 1 246 29 29 ILE HA H 3.709 0.030 1 247 29 29 ILE CB C 37.474 0.300 1 248 29 29 ILE HB H 1.865 0.030 1 249 29 29 ILE CG1 C 28.738 0.300 1 250 29 29 ILE HG13 H 1.533 0.030 2 251 29 29 ILE CG2 C 17.230 0.300 1 252 29 29 ILE HG2 H 0.869 0.030 1 253 29 29 ILE CD1 C 12.669 0.300 1 254 29 29 ILE HD1 H 0.762 0.030 1 255 29 29 ILE C C 179.171 0.300 1 256 29 29 ILE HG12 H 1.210 0.030 2 257 30 30 ILE N N 119.207 0.300 1 258 30 30 ILE H H 7.589 0.030 1 259 30 30 ILE CA C 64.891 0.300 1 260 30 30 ILE HA H 3.617 0.030 1 261 30 30 ILE CB C 38.513 0.300 1 262 30 30 ILE HB H 1.713 0.030 1 263 30 30 ILE CG1 C 29.171 0.300 1 264 30 30 ILE HG13 H 1.694 0.030 2 265 30 30 ILE CG2 C 17.260 0.300 1 266 30 30 ILE HG2 H 0.903 0.030 1 267 30 30 ILE CD1 C 12.966 0.300 1 268 30 30 ILE HD1 H 0.820 0.030 1 269 30 30 ILE C C 178.757 0.300 1 270 30 30 ILE HG12 H 1.157 0.030 2 271 31 31 HIS N N 119.828 0.300 1 272 31 31 HIS H H 7.534 0.030 1 273 31 31 HIS CA C 59.278 0.300 1 274 31 31 HIS HA H 4.193 0.030 1 275 31 31 HIS CB C 28.635 0.300 1 276 31 31 HIS HB3 H 3.152 0.030 2 277 31 31 HIS CD2 C 127.324 0.300 1 278 31 31 HIS HD2 H 6.944 0.030 1 279 31 31 HIS CE1 C 139.571 0.300 1 280 31 31 HIS HE1 H 8.048 0.030 1 281 31 31 HIS C C 176.316 0.300 1 282 31 31 HIS HB2 H 2.986 0.030 2 283 32 32 GLN N N 115.270 0.300 1 284 32 32 GLN H H 8.431 0.030 1 285 32 32 GLN CA C 59.504 0.300 1 286 32 32 GLN HA H 3.661 0.030 1 287 32 32 GLN CB C 28.316 0.300 1 288 32 32 GLN HB3 H 2.326 0.030 2 289 32 32 GLN CG C 35.648 0.300 1 290 32 32 GLN HG3 H 2.878 0.030 2 291 32 32 GLN NE2 N 111.775 0.300 1 292 32 32 GLN HE21 H 7.631 0.030 2 293 32 32 GLN HE22 H 6.913 0.030 2 294 32 32 GLN C C 177.585 0.300 1 295 32 32 GLN HB2 H 2.194 0.030 2 296 32 32 GLN HG2 H 2.798 0.030 2 297 33 33 LYS N N 117.874 0.300 1 298 33 33 LYS H H 7.208 0.030 1 299 33 33 LYS CA C 58.591 0.300 1 300 33 33 LYS HA H 4.110 0.030 1 301 33 33 LYS CB C 32.257 0.300 1 302 33 33 LYS HB3 H 1.839 0.030 1 303 33 33 LYS CG C 25.287 0.300 1 304 33 33 LYS HG3 H 1.673 0.030 2 305 33 33 LYS CD C 29.151 0.300 1 306 33 33 LYS HD3 H 1.686 0.030 1 307 33 33 LYS CE C 42.173 0.300 1 308 33 33 LYS HE3 H 2.924 0.030 2 309 33 33 LYS C C 178.936 0.300 1 310 33 33 LYS HB2 H 1.839 0.030 1 311 33 33 LYS HD2 H 1.686 0.030 1 312 33 33 LYS HE2 H 2.967 0.030 2 313 33 33 LYS HG2 H 1.476 0.030 2 314 34 34 ILE N N 116.468 0.300 1 315 34 34 ILE H H 7.885 0.030 1 316 34 34 ILE CA C 63.144 0.300 1 317 34 34 ILE HA H 3.968 0.030 1 318 34 34 ILE CB C 37.733 0.300 1 319 34 34 ILE HB H 1.673 0.030 1 320 34 34 ILE CG1 C 26.765 0.300 1 321 34 34 ILE HG13 H 0.933 0.030 2 322 34 34 ILE CG2 C 16.459 0.300 1 323 34 34 ILE HG2 H 0.579 0.030 1 324 34 34 ILE CD1 C 14.404 0.300 1 325 34 34 ILE HD1 H 0.710 0.030 1 326 34 34 ILE C C 177.569 0.300 1 327 34 34 ILE HG12 H 0.794 0.030 2 328 35 35 HIS N N 117.615 0.300 1 329 35 35 HIS H H 7.189 0.030 1 330 35 35 HIS CA C 55.293 0.300 1 331 35 35 HIS HA H 4.851 0.030 1 332 35 35 HIS CB C 28.494 0.300 1 333 35 35 HIS HB3 H 3.233 0.030 2 334 35 35 HIS CD2 C 127.636 0.300 1 335 35 35 HIS HD2 H 6.731 0.030 1 336 35 35 HIS CE1 C 140.126 0.300 1 337 35 35 HIS HE1 H 8.075 0.030 1 338 35 35 HIS C C 175.810 0.300 1 339 35 35 HIS HB2 H 3.350 0.030 2 340 36 36 THR N N 111.886 0.300 1 341 36 36 THR H H 7.768 0.030 1 342 36 36 THR CA C 62.648 0.300 1 343 36 36 THR HA H 4.341 0.030 1 344 36 36 THR CB C 69.832 0.300 1 345 36 36 THR HB H 4.325 0.030 1 346 36 36 THR CG2 C 21.628 0.300 1 347 36 36 THR HG2 H 1.240 0.030 1 348 36 36 THR C C 175.433 0.300 1 349 37 37 GLY N N 110.507 0.300 1 350 37 37 GLY H H 8.214 0.030 1 351 37 37 GLY CA C 45.365 0.300 1 352 37 37 GLY HA3 H 4.013 0.030 2 353 37 37 GLY C C 174.057 0.300 1 354 37 37 GLY HA2 H 3.972 0.030 2 355 38 38 GLU N N 120.478 0.300 1 356 38 38 GLU H H 8.114 0.030 1 357 38 38 GLU CA C 56.517 0.300 1 358 38 38 GLU HA H 4.258 0.030 1 359 38 38 GLU CB C 30.505 0.300 1 360 38 38 GLU HB3 H 1.924 0.030 2 361 38 38 GLU CG C 36.287 0.300 1 362 38 38 GLU HG3 H 2.218 0.030 2 363 38 38 GLU C C 176.260 0.300 1 364 38 38 GLU HB2 H 2.001 0.030 2 365 38 38 GLU HG2 H 2.279 0.030 2 366 39 39 ARG N N 123.108 0.300 1 367 39 39 ARG H H 8.347 0.030 1 368 39 39 ARG CA C 53.836 0.300 1 369 39 39 ARG HA H 4.641 0.030 1 370 39 39 ARG CB C 30.295 0.300 1 371 39 39 ARG HB3 H 1.838 0.030 2 372 39 39 ARG CG C 26.781 0.300 1 373 39 39 ARG HG3 H 1.669 0.030 1 374 39 39 ARG CD C 43.389 0.300 1 375 39 39 ARG HD3 H 3.208 0.030 1 376 39 39 ARG C C 174.196 0.300 1 377 39 39 ARG HB2 H 1.734 0.030 2 378 39 39 ARG HD2 H 3.208 0.030 1 379 39 39 ARG HG2 H 1.669 0.030 1 380 40 40 PRO CA C 63.247 0.300 1 381 40 40 PRO HA H 4.475 0.030 1 382 40 40 PRO CB C 32.174 0.300 1 383 40 40 PRO HB3 H 1.942 0.030 2 384 40 40 PRO CG C 27.367 0.300 1 385 40 40 PRO HG3 H 2.022 0.030 1 386 40 40 PRO CD C 50.675 0.300 1 387 40 40 PRO HD3 H 3.636 0.030 2 388 40 40 PRO HB2 H 2.315 0.030 2 389 40 40 PRO HD2 H 3.808 0.030 2 390 40 40 PRO HG2 H 2.022 0.030 1 391 41 41 SER N N 116.362 0.300 1 392 41 41 SER H H 8.471 0.030 1 393 41 41 SER CA C 58.579 0.300 1 394 41 41 SER HA H 4.503 0.030 1 395 41 41 SER CB C 63.945 0.300 1 396 41 41 SER HB3 H 3.902 0.030 1 397 41 41 SER HB2 H 3.902 0.030 1 398 42 42 GLY CA C 44.665 0.300 1 399 42 42 GLY HA3 H 4.158 0.030 2 400 42 42 GLY HA2 H 4.116 0.030 2 401 43 43 PRO CA C 63.255 0.300 1 402 43 43 PRO HA H 4.474 0.030 1 403 43 43 PRO CB C 32.218 0.300 1 404 43 43 PRO HB3 H 1.977 0.030 2 405 43 43 PRO CG C 27.152 0.300 1 406 43 43 PRO HG3 H 2.020 0.030 1 407 43 43 PRO CD C 49.807 0.300 1 408 43 43 PRO HD3 H 3.629 0.030 1 409 43 43 PRO HB2 H 2.300 0.030 2 410 43 43 PRO HD2 H 3.629 0.030 1 411 43 43 PRO HG2 H 2.020 0.030 1 412 45 45 SER CA C 58.342 0.300 1 413 45 45 SER HA H 4.495 0.030 1 414 45 45 SER CB C 63.915 0.300 1 415 45 45 SER C C 173.905 0.300 1 416 45 45 SER HB2 H 3.906 0.030 2 417 46 46 GLY N N 116.854 0.300 1 418 46 46 GLY H H 8.042 0.030 1 419 46 46 GLY CA C 46.219 0.300 1 420 46 46 GLY HA3 H 3.750 0.030 2 421 46 46 GLY C C 178.995 0.300 1 422 46 46 GLY HA2 H 3.798 0.030 2 stop_ save_