data_10190 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Solution structure of the C2H2 type zinc finger (region 425-457) of human Zinc finger protein 95 homolog ; _BMRB_accession_number 10190 _BMRB_flat_file_name bmr10190.str _Entry_type original _Submission_date 2008-02-19 _Accession_date 2008-02-19 _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" 219 "13C chemical shifts" 157 "15N chemical shifts" 34 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2009-02-27 original author . stop_ _Original_release_date 2009-02-27 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 425-457) 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 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 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 ; GSSGSSGSGERPYGCNECGK NFGRHSHLIEHLKRHFREKS SGPSSG ; loop_ _Residue_seq_code _Residue_label 1 GLY 2 SER 3 SER 4 GLY 5 SER 6 SER 7 GLY 8 SER 9 GLY 10 GLU 11 ARG 12 PRO 13 TYR 14 GLY 15 CYS 16 ASN 17 GLU 18 CYS 19 GLY 20 LYS 21 ASN 22 PHE 23 GLY 24 ARG 25 HIS 26 SER 27 HIS 28 LEU 29 ILE 30 GLU 31 HIS 32 LEU 33 LYS 34 ARG 35 HIS 36 PHE 37 ARG 38 GLU 39 LYS 40 SER 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 2EOO "Solution Structure Of The C2h2 Type Zinc Finger (Region 425- 457) Of Human Zinc Finger Protein 95 Homolog" 100.00 46 100.00 100.00 3.71e-22 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 P061225-13 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 _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 CA C 58.454 0.300 1 2 8 8 SER HA H 4.440 0.030 1 3 8 8 SER CB C 63.904 0.300 1 4 8 8 SER HB3 H 3.856 0.030 1 5 8 8 SER C C 175.126 0.300 1 6 8 8 SER HB2 H 3.856 0.030 1 7 9 9 GLY N N 110.864 0.300 1 8 9 9 GLY H H 8.493 0.030 1 9 9 9 GLY CA C 45.376 0.300 1 10 9 9 GLY C C 174.128 0.300 1 11 9 9 GLY HA2 H 3.960 0.030 2 12 10 10 GLU N N 120.050 0.300 1 13 10 10 GLU H H 8.255 0.030 1 14 10 10 GLU CA C 56.893 0.300 1 15 10 10 GLU HA H 4.236 0.030 1 16 10 10 GLU CB C 30.417 0.300 1 17 10 10 GLU HB3 H 2.034 0.030 2 18 10 10 GLU CG C 36.351 0.300 1 19 10 10 GLU HG3 H 2.274 0.030 2 20 10 10 GLU C C 176.477 0.300 1 21 10 10 GLU HB2 H 1.922 0.030 2 22 10 10 GLU HG2 H 2.244 0.030 2 23 11 11 ARG N N 121.287 0.300 1 24 11 11 ARG H H 8.311 0.030 1 25 11 11 ARG CA C 53.586 0.300 1 26 11 11 ARG HA H 4.588 0.030 1 27 11 11 ARG CB C 30.618 0.300 1 28 11 11 ARG HB3 H 1.465 0.030 2 29 11 11 ARG CG C 26.813 0.300 1 30 11 11 ARG HG3 H 1.386 0.030 2 31 11 11 ARG CD C 43.539 0.300 1 32 11 11 ARG HD3 H 3.077 0.030 1 33 11 11 ARG C C 173.631 0.300 1 34 11 11 ARG HB2 H 1.597 0.030 2 35 11 11 ARG HD2 H 3.077 0.030 1 36 11 11 ARG HG2 H 1.510 0.030 2 37 12 12 PRO CA C 63.542 0.300 1 38 12 12 PRO HA H 4.349 0.030 1 39 12 12 PRO CB C 32.216 0.300 1 40 12 12 PRO HB3 H 2.017 0.030 2 41 12 12 PRO CG C 26.534 0.300 1 42 12 12 PRO HG3 H 1.502 0.030 2 43 12 12 PRO CD C 50.192 0.300 1 44 12 12 PRO HD3 H 3.575 0.030 1 45 12 12 PRO C C 176.387 0.300 1 46 12 12 PRO HB2 H 1.384 0.030 2 47 12 12 PRO HD2 H 3.575 0.030 1 48 12 12 PRO HG2 H 1.802 0.030 2 49 13 13 TYR N N 119.060 0.300 1 50 13 13 TYR H H 8.102 0.030 1 51 13 13 TYR CA C 56.965 0.300 1 52 13 13 TYR HA H 4.754 0.030 1 53 13 13 TYR CB C 38.432 0.300 1 54 13 13 TYR HB3 H 2.942 0.030 2 55 13 13 TYR CD1 C 133.127 0.300 1 56 13 13 TYR HD1 H 7.068 0.030 1 57 13 13 TYR CD2 C 133.127 0.300 1 58 13 13 TYR HD2 H 7.068 0.030 1 59 13 13 TYR CE1 C 118.432 0.300 1 60 13 13 TYR HE1 H 6.847 0.030 1 61 13 13 TYR CE2 C 118.432 0.300 1 62 13 13 TYR HE2 H 6.847 0.030 1 63 13 13 TYR C C 175.135 0.300 1 64 13 13 TYR HB2 H 3.065 0.030 2 65 14 14 GLY N N 111.562 0.300 1 66 14 14 GLY H H 8.513 0.030 1 67 14 14 GLY CA C 45.058 0.300 1 68 14 14 GLY HA3 H 4.932 0.030 2 69 14 14 GLY C C 172.508 0.300 1 70 14 14 GLY HA2 H 3.638 0.030 2 71 15 15 CYS N N 124.194 0.300 1 72 15 15 CYS H H 9.008 0.030 1 73 15 15 CYS CA C 58.959 0.300 1 74 15 15 CYS HA H 4.695 0.030 1 75 15 15 CYS CB C 30.119 0.300 1 76 15 15 CYS HB3 H 3.392 0.030 2 77 15 15 CYS C C 177.447 0.300 1 78 15 15 CYS HB2 H 2.817 0.030 2 79 16 16 ASN N N 129.997 0.300 1 80 16 16 ASN H H 9.480 0.030 1 81 16 16 ASN CA C 55.267 0.300 1 82 16 16 ASN HA H 4.625 0.030 1 83 16 16 ASN CB C 38.516 0.300 1 84 16 16 ASN HB3 H 2.915 0.030 1 85 16 16 ASN ND2 N 113.191 0.300 1 86 16 16 ASN HD21 H 7.703 0.030 2 87 16 16 ASN HD22 H 6.997 0.030 2 88 16 16 ASN C C 175.463 0.300 1 89 16 16 ASN HB2 H 2.915 0.030 1 90 17 17 GLU N N 121.690 0.300 1 91 17 17 GLU H H 9.024 0.030 1 92 17 17 GLU CA C 58.253 0.300 1 93 17 17 GLU HA H 4.239 0.030 1 94 17 17 GLU CB C 29.490 0.300 1 95 17 17 GLU HB3 H 1.371 0.030 2 96 17 17 GLU CG C 35.473 0.300 1 97 17 17 GLU HG3 H 1.842 0.030 2 98 17 17 GLU C C 177.355 0.300 1 99 17 17 GLU HB2 H 1.439 0.030 2 100 17 17 GLU HG2 H 1.885 0.030 2 101 18 18 CYS N N 115.999 0.300 1 102 18 18 CYS H H 8.351 0.030 1 103 18 18 CYS CA C 58.536 0.300 1 104 18 18 CYS HA H 5.170 0.030 1 105 18 18 CYS CB C 32.295 0.300 1 106 18 18 CYS HB3 H 3.419 0.030 2 107 18 18 CYS C C 176.224 0.300 1 108 18 18 CYS HB2 H 2.904 0.030 2 109 19 19 GLY N N 112.718 0.300 1 110 19 19 GLY H H 8.032 0.030 1 111 19 19 GLY CA C 46.253 0.300 1 112 19 19 GLY HA3 H 4.228 0.030 2 113 19 19 GLY C C 174.201 0.300 1 114 19 19 GLY HA2 H 3.901 0.030 2 115 20 20 LYS N N 122.353 0.300 1 116 20 20 LYS H H 7.856 0.030 1 117 20 20 LYS CA C 57.657 0.300 1 118 20 20 LYS HA H 4.043 0.030 1 119 20 20 LYS CB C 34.015 0.300 1 120 20 20 LYS HB3 H 1.388 0.030 2 121 20 20 LYS CG C 26.261 0.300 1 122 20 20 LYS HG3 H 1.159 0.030 2 123 20 20 LYS CD C 29.225 0.300 1 124 20 20 LYS HD3 H 1.534 0.030 1 125 20 20 LYS CE C 42.261 0.300 1 126 20 20 LYS HE3 H 2.944 0.030 2 127 20 20 LYS C C 173.954 0.300 1 128 20 20 LYS HB2 H 1.237 0.030 2 129 20 20 LYS HD2 H 1.534 0.030 1 130 20 20 LYS HE2 H 2.997 0.030 2 131 20 20 LYS HG2 H 1.464 0.030 2 132 21 21 ASN N N 117.851 0.300 1 133 21 21 ASN H H 7.905 0.030 1 134 21 21 ASN CA C 51.903 0.300 1 135 21 21 ASN HA H 5.337 0.030 1 136 21 21 ASN CB C 41.671 0.300 1 137 21 21 ASN HB3 H 2.498 0.030 2 138 21 21 ASN ND2 N 112.750 0.300 1 139 21 21 ASN HD21 H 7.304 0.030 2 140 21 21 ASN HD22 H 6.761 0.030 2 141 21 21 ASN C C 174.118 0.300 1 142 21 21 ASN HB2 H 2.622 0.030 2 143 22 22 PHE N N 117.132 0.300 1 144 22 22 PHE H H 8.604 0.030 1 145 22 22 PHE CA C 57.519 0.300 1 146 22 22 PHE HA H 4.753 0.030 1 147 22 22 PHE CB C 43.604 0.300 1 148 22 22 PHE HB3 H 3.478 0.030 2 149 22 22 PHE CD1 C 132.208 0.300 1 150 22 22 PHE HD1 H 7.316 0.030 1 151 22 22 PHE CD2 C 132.208 0.300 1 152 22 22 PHE HD2 H 7.316 0.030 1 153 22 22 PHE CE1 C 130.654 0.300 1 154 22 22 PHE HE1 H 6.823 0.030 1 155 22 22 PHE CE2 C 130.654 0.300 1 156 22 22 PHE HE2 H 6.823 0.030 1 157 22 22 PHE CZ C 128.660 0.300 1 158 22 22 PHE HZ H 6.114 0.030 1 159 22 22 PHE C C 175.478 0.300 1 160 22 22 PHE HB2 H 2.894 0.030 2 161 23 23 GLY CA C 45.805 0.300 1 162 23 23 GLY HA3 H 4.493 0.030 2 163 23 23 GLY HA2 H 4.065 0.030 2 164 24 24 ARG N N 115.504 0.300 1 165 24 24 ARG H H 7.280 0.030 1 166 24 24 ARG CA C 53.903 0.300 1 167 24 24 ARG HA H 4.647 0.030 1 168 24 24 ARG CB C 33.063 0.300 1 169 24 24 ARG HB3 H 0.961 0.030 2 170 24 24 ARG CG C 26.699 0.300 1 171 24 24 ARG HG3 H 1.460 0.030 1 172 24 24 ARG CD C 43.218 0.300 1 173 24 24 ARG HD3 H 2.899 0.030 2 174 24 24 ARG HB2 H 1.642 0.030 2 175 24 24 ARG HD2 H 2.980 0.030 2 176 24 24 ARG HG2 H 1.460 0.030 1 177 25 25 HIS N N 112.630 0.300 1 178 25 25 HIS H H 8.702 0.030 1 179 25 25 HIS CA C 60.282 0.300 1 180 25 25 HIS HA H 3.275 0.030 1 181 25 25 HIS CB C 30.569 0.300 1 182 25 25 HIS HB3 H 2.479 0.030 2 183 25 25 HIS CD2 C 118.432 0.300 1 184 25 25 HIS HD2 H 6.844 0.030 1 185 25 25 HIS CE1 C 138.215 0.300 1 186 25 25 HIS HE1 H 7.697 0.030 1 187 25 25 HIS HB2 H 2.798 0.030 2 188 26 26 SER CA C 61.201 0.300 1 189 26 26 SER HA H 3.832 0.030 1 190 26 26 SER CB C 61.402 0.300 1 191 26 26 SER HB3 H 3.871 0.030 1 192 26 26 SER C C 176.998 0.300 1 193 26 26 SER HB2 H 3.871 0.030 1 194 27 27 HIS N N 120.791 0.300 1 195 27 27 HIS H H 6.716 0.030 1 196 27 27 HIS CA C 56.885 0.300 1 197 27 27 HIS HA H 4.438 0.030 1 198 27 27 HIS CB C 31.710 0.300 1 199 27 27 HIS HB3 H 3.359 0.030 2 200 27 27 HIS CD2 C 116.802 0.300 1 201 27 27 HIS HD2 H 6.967 0.030 1 202 27 27 HIS CE1 C 139.025 0.300 1 203 27 27 HIS HE1 H 7.831 0.030 1 204 27 27 HIS C C 178.259 0.300 1 205 27 27 HIS HB2 H 3.175 0.030 2 206 28 28 LEU N N 121.891 0.300 1 207 28 28 LEU H H 7.048 0.030 1 208 28 28 LEU CA C 57.858 0.300 1 209 28 28 LEU HA H 3.316 0.030 1 210 28 28 LEU CB C 40.235 0.300 1 211 28 28 LEU HB3 H 2.031 0.030 2 212 28 28 LEU CG C 27.815 0.300 1 213 28 28 LEU HG H 1.498 0.030 1 214 28 28 LEU CD1 C 22.622 0.300 2 215 28 28 LEU HD1 H 0.997 0.030 1 216 28 28 LEU CD2 C 26.290 0.300 2 217 28 28 LEU HD2 H 1.090 0.030 1 218 28 28 LEU C C 177.276 0.300 1 219 28 28 LEU HB2 H 1.322 0.030 2 220 29 29 ILE N N 118.247 0.300 1 221 29 29 ILE H H 7.890 0.030 1 222 29 29 ILE CA C 63.737 0.300 1 223 29 29 ILE HA H 3.547 0.030 1 224 29 29 ILE CB C 36.186 0.300 1 225 29 29 ILE HB H 1.846 0.030 1 226 29 29 ILE CG1 C 27.282 0.300 1 227 29 29 ILE HG13 H 1.145 0.030 2 228 29 29 ILE CG2 C 17.276 0.300 1 229 29 29 ILE HG2 H 0.814 0.030 1 230 29 29 ILE CD1 C 10.226 0.300 1 231 29 29 ILE HD1 H 0.540 0.030 1 232 29 29 ILE C C 178.830 0.300 1 233 29 29 ILE HG12 H 0.970 0.030 2 234 30 30 GLU N N 117.991 0.300 1 235 30 30 GLU H H 7.499 0.030 1 236 30 30 GLU CA C 59.104 0.300 1 237 30 30 GLU HA H 3.959 0.030 1 238 30 30 GLU CB C 29.435 0.300 1 239 30 30 GLU HB3 H 1.985 0.030 1 240 30 30 GLU CG C 35.642 0.300 1 241 30 30 GLU HG3 H 2.325 0.030 1 242 30 30 GLU C C 178.622 0.300 1 243 30 30 GLU HB2 H 1.985 0.030 1 244 30 30 GLU HG2 H 2.325 0.030 1 245 31 31 HIS N N 119.737 0.300 1 246 31 31 HIS H H 7.541 0.030 1 247 31 31 HIS CA C 59.599 0.300 1 248 31 31 HIS HA H 4.113 0.030 1 249 31 31 HIS CB C 28.503 0.300 1 250 31 31 HIS HB3 H 3.208 0.030 2 251 31 31 HIS CD2 C 127.288 0.300 1 252 31 31 HIS HD2 H 7.001 0.030 1 253 31 31 HIS CE1 C 138.978 0.300 1 254 31 31 HIS HE1 H 7.995 0.030 1 255 31 31 HIS C C 177.036 0.300 1 256 31 31 HIS HB2 H 2.762 0.030 2 257 32 32 LEU N N 118.963 0.300 1 258 32 32 LEU H H 8.669 0.030 1 259 32 32 LEU CA C 58.231 0.300 1 260 32 32 LEU HA H 3.868 0.030 1 261 32 32 LEU CB C 41.914 0.300 1 262 32 32 LEU HB3 H 1.979 0.030 2 263 32 32 LEU CG C 27.018 0.300 1 264 32 32 LEU HG H 2.034 0.030 1 265 32 32 LEU CD1 C 25.799 0.300 2 266 32 32 LEU HD1 H 1.030 0.030 1 267 32 32 LEU CD2 C 24.563 0.300 2 268 32 32 LEU HD2 H 1.299 0.030 1 269 32 32 LEU C C 179.605 0.300 1 270 32 32 LEU HB2 H 1.556 0.030 2 271 33 33 LYS N N 117.980 0.300 1 272 33 33 LYS H H 7.426 0.030 1 273 33 33 LYS CA C 59.259 0.300 1 274 33 33 LYS HA H 3.964 0.030 1 275 33 33 LYS CB C 32.436 0.300 1 276 33 33 LYS HB3 H 1.870 0.030 1 277 33 33 LYS CG C 25.671 0.300 1 278 33 33 LYS HG3 H 1.402 0.030 2 279 33 33 LYS CD C 29.690 0.300 1 280 33 33 LYS HD3 H 1.675 0.030 1 281 33 33 LYS CE C 42.194 0.300 1 282 33 33 LYS HE3 H 2.838 0.030 2 283 33 33 LYS C C 178.878 0.300 1 284 33 33 LYS HB2 H 1.870 0.030 1 285 33 33 LYS HD2 H 1.675 0.030 1 286 33 33 LYS HE2 H 2.924 0.030 2 287 33 33 LYS HG2 H 1.673 0.030 2 288 34 34 ARG N N 117.379 0.300 1 289 34 34 ARG H H 7.659 0.030 1 290 34 34 ARG CA C 57.923 0.300 1 291 34 34 ARG HA H 4.030 0.030 1 292 34 34 ARG CB C 29.157 0.300 1 293 34 34 ARG HB3 H 1.589 0.030 2 294 34 34 ARG CG C 27.134 0.300 1 295 34 34 ARG HG3 H 1.493 0.030 2 296 34 34 ARG CD C 43.422 0.300 1 297 34 34 ARG HD3 H 3.075 0.030 1 298 34 34 ARG C C 178.055 0.300 1 299 34 34 ARG HB2 H 1.692 0.030 2 300 34 34 ARG HD2 H 3.075 0.030 1 301 34 34 ARG HG2 H 1.539 0.030 2 302 35 35 HIS N N 115.913 0.300 1 303 35 35 HIS H H 7.257 0.030 1 304 35 35 HIS CA C 56.578 0.300 1 305 35 35 HIS HA H 4.629 0.030 1 306 35 35 HIS CB C 28.654 0.300 1 307 35 35 HIS HB3 H 3.057 0.030 1 308 35 35 HIS CD2 C 127.061 0.300 1 309 35 35 HIS HD2 H 6.641 0.030 1 310 35 35 HIS CE1 C 139.771 0.300 1 311 35 35 HIS HE1 H 7.990 0.030 1 312 35 35 HIS C C 175.953 0.300 1 313 35 35 HIS HB2 H 3.057 0.030 1 314 36 36 PHE N N 119.384 0.300 1 315 36 36 PHE H H 7.760 0.030 1 316 36 36 PHE CA C 58.890 0.300 1 317 36 36 PHE HA H 4.543 0.030 1 318 36 36 PHE CB C 39.026 0.300 1 319 36 36 PHE HB3 H 3.134 0.030 2 320 36 36 PHE CD1 C 131.712 0.300 1 321 36 36 PHE HD1 H 7.278 0.030 1 322 36 36 PHE CD2 C 131.712 0.300 1 323 36 36 PHE HD2 H 7.278 0.030 1 324 36 36 PHE CE1 C 131.712 0.300 1 325 36 36 PHE HE1 H 7.349 0.030 1 326 36 36 PHE CE2 C 131.712 0.300 1 327 36 36 PHE HE2 H 7.349 0.030 1 328 36 36 PHE CZ C 129.919 0.300 1 329 36 36 PHE HZ H 7.307 0.030 1 330 36 36 PHE C C 176.549 0.300 1 331 36 36 PHE HB2 H 3.221 0.030 2 332 37 37 ARG N N 121.608 0.300 1 333 37 37 ARG H H 8.099 0.030 1 334 37 37 ARG CA C 56.871 0.300 1 335 37 37 ARG HA H 4.231 0.030 1 336 37 37 ARG CB C 30.858 0.300 1 337 37 37 ARG HB3 H 1.832 0.030 2 338 37 37 ARG CG C 27.188 0.300 1 339 37 37 ARG HG3 H 1.646 0.030 2 340 37 37 ARG CD C 43.415 0.300 1 341 37 37 ARG HD3 H 3.208 0.030 1 342 37 37 ARG C C 176.808 0.300 1 343 37 37 ARG HB2 H 1.868 0.030 2 344 37 37 ARG HD2 H 3.208 0.030 1 345 37 37 ARG HG2 H 1.698 0.030 2 346 38 38 GLU N N 120.749 0.300 1 347 38 38 GLU H H 8.205 0.030 1 348 38 38 GLU CA C 57.166 0.300 1 349 38 38 GLU HA H 4.194 0.030 1 350 38 38 GLU CB C 30.047 0.300 1 351 38 38 GLU HB3 H 2.069 0.030 1 352 38 38 GLU CG C 36.378 0.300 1 353 38 38 GLU HG3 H 2.309 0.030 2 354 38 38 GLU C C 176.985 0.300 1 355 38 38 GLU HB2 H 2.069 0.030 1 356 38 38 GLU HG2 H 2.384 0.030 2 357 39 39 LYS N N 121.011 0.300 1 358 39 39 LYS H H 8.130 0.030 1 359 39 39 LYS CA C 56.734 0.300 1 360 39 39 LYS HA H 4.315 0.030 1 361 39 39 LYS CB C 32.934 0.300 1 362 39 39 LYS HB3 H 1.798 0.030 2 363 39 39 LYS CG C 24.792 0.300 1 364 39 39 LYS HG3 H 1.463 0.030 2 365 39 39 LYS CD C 29.226 0.300 1 366 39 39 LYS HD3 H 1.670 0.030 1 367 39 39 LYS CE C 42.111 0.300 1 368 39 39 LYS HE3 H 2.879 0.030 2 369 39 39 LYS C C 176.838 0.300 1 370 39 39 LYS HB2 H 1.881 0.030 2 371 39 39 LYS HD2 H 1.670 0.030 1 372 39 39 LYS HE2 H 2.978 0.030 2 373 39 39 LYS HG2 H 1.508 0.030 2 374 40 40 SER N N 116.295 0.300 1 375 40 40 SER H H 8.203 0.030 1 376 40 40 SER CA C 58.413 0.300 1 377 40 40 SER HA H 4.474 0.030 1 378 40 40 SER CB C 63.797 0.300 1 379 40 40 SER HB3 H 3.909 0.030 1 380 40 40 SER C C 174.559 0.300 1 381 40 40 SER HB2 H 3.909 0.030 1 382 41 41 SER N N 117.522 0.300 1 383 41 41 SER H H 8.267 0.030 1 384 41 41 SER CA C 58.400 0.300 1 385 41 41 SER HA H 4.488 0.030 1 386 41 41 SER CB C 64.016 0.300 1 387 41 41 SER HB3 H 3.863 0.030 2 388 41 41 SER C C 174.474 0.300 1 389 41 41 SER HB2 H 3.863 0.030 2 390 42 42 GLY N N 110.551 0.300 1 391 42 42 GLY H H 8.215 0.030 1 392 42 42 GLY CA C 44.645 0.300 1 393 42 42 GLY HA3 H 4.143 0.030 1 394 42 42 GLY C C 171.741 0.300 1 395 42 42 GLY HA2 H 4.143 0.030 1 396 43 43 PRO CA C 63.271 0.300 1 397 43 43 PRO HA H 4.488 0.030 1 398 43 43 PRO CB C 32.184 0.300 1 399 43 43 PRO HB3 H 2.309 0.030 2 400 43 43 PRO CG C 27.094 0.300 1 401 43 43 PRO HG3 H 2.027 0.030 1 402 43 43 PRO CD C 49.806 0.300 1 403 43 43 PRO HD3 H 3.642 0.030 1 404 43 43 PRO C C 177.380 0.300 1 405 43 43 PRO HB2 H 1.994 0.030 2 406 43 43 PRO HD2 H 3.642 0.030 1 407 43 43 PRO HG2 H 2.027 0.030 1 408 44 44 SER N N 116.453 0.300 1 409 44 44 SER H H 8.540 0.030 1 410 44 44 SER C C 174.602 0.300 1 stop_ save_