data_10209 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Solution structure of the C2H2 type zinc finger (region 809-841) of human Zinc finger protein 473 ; _BMRB_accession_number 10209 _BMRB_flat_file_name bmr10209.str _Entry_type original _Submission_date 2008-03-18 _Accession_date 2008-03-18 _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" 201 "13C chemical shifts" 152 "15N chemical shifts" 35 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2009-03-18 original author . stop_ _Original_release_date 2009-03-18 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 809-841) of human Zinc finger protein 473 ; _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 473' _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 'all other bound' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 46 _Mol_residue_sequence ; GSSGSSGTGEKPYSCNVCGK AFVLSAHLNQHLRVHTQETL 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 LYS 12 PRO 13 TYR 14 SER 15 CYS 16 ASN 17 VAL 18 CYS 19 GLY 20 LYS 21 ALA 22 PHE 23 VAL 24 LEU 25 SER 26 ALA 27 HIS 28 LEU 29 ASN 30 GLN 31 HIS 32 LEU 33 ARG 34 VAL 35 HIS 36 THR 37 GLN 38 GLU 39 THR 40 LEU 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 2EOZ "Solution Structure Of The C2h2 Type Zinc Finger (Region 809- 841) Of Human Zinc Finger Protein 473" 100.00 46 100.00 100.00 2.02e-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 P070115-36 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 'Guentert, 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 9 9 GLY CA C 45.305 0.300 1 2 9 9 GLY HA2 H 3.909 0.030 2 3 9 9 GLY HA3 H 3.977 0.030 2 4 9 9 GLY C C 174.027 0.300 1 5 10 10 GLU N N 120.322 0.300 1 6 10 10 GLU H H 8.205 0.030 1 7 10 10 GLU CA C 56.946 0.300 1 8 10 10 GLU HA H 4.186 0.030 1 9 10 10 GLU CB C 30.386 0.300 1 10 10 10 GLU HB2 H 1.989 0.030 2 11 10 10 GLU HB3 H 1.910 0.030 2 12 10 10 GLU CG C 36.269 0.300 1 13 10 10 GLU HG2 H 2.258 0.030 2 14 10 10 GLU HG3 H 2.220 0.030 2 15 10 10 GLU C C 176.270 0.300 1 16 11 11 LYS N N 121.346 0.300 1 17 11 11 LYS H H 8.235 0.030 1 18 11 11 LYS CA C 53.873 0.300 1 19 11 11 LYS HA H 4.584 0.030 1 20 11 11 LYS CB C 33.141 0.300 1 21 11 11 LYS HB2 H 1.618 0.030 2 22 11 11 LYS HB3 H 1.487 0.030 2 23 11 11 LYS CG C 29.584 0.300 1 24 11 11 LYS HG2 H 1.508 0.030 1 25 11 11 LYS HG3 H 1.508 0.030 1 26 11 11 LYS CD C 24.914 0.300 1 27 11 11 LYS HD2 H 1.340 0.030 2 28 11 11 LYS HD3 H 1.217 0.030 2 29 11 11 LYS CE C 42.216 0.300 1 30 11 11 LYS HE2 H 2.904 0.030 1 31 11 11 LYS HE3 H 2.904 0.030 1 32 11 11 LYS C C 174.194 0.300 1 33 12 12 PRO CA C 63.602 0.300 1 34 12 12 PRO HA H 4.297 0.030 1 35 12 12 PRO CB C 32.253 0.300 1 36 12 12 PRO HB2 H 1.291 0.030 2 37 12 12 PRO HB3 H 2.045 0.030 2 38 12 12 PRO CG C 26.781 0.300 1 39 12 12 PRO HG2 H 1.838 0.030 2 40 12 12 PRO HG3 H 1.758 0.030 2 41 12 12 PRO CD C 50.481 0.300 1 42 12 12 PRO HD2 H 3.780 0.030 2 43 12 12 PRO HD3 H 3.717 0.030 2 44 12 12 PRO C C 176.307 0.300 1 45 13 13 TYR N N 118.127 0.300 1 46 13 13 TYR H H 7.888 0.030 1 47 13 13 TYR CA C 57.331 0.300 1 48 13 13 TYR HA H 4.744 0.030 1 49 13 13 TYR CB C 39.167 0.300 1 50 13 13 TYR HB2 H 2.802 0.030 2 51 13 13 TYR HB3 H 3.031 0.030 2 52 13 13 TYR CD1 C 133.443 0.300 1 53 13 13 TYR HD1 H 7.028 0.030 1 54 13 13 TYR CD2 C 133.443 0.300 1 55 13 13 TYR HD2 H 7.028 0.030 1 56 13 13 TYR CE1 C 118.390 0.300 1 57 13 13 TYR HE1 H 6.926 0.030 1 58 13 13 TYR CE2 C 118.390 0.300 1 59 13 13 TYR HE2 H 6.926 0.030 1 60 13 13 TYR C C 175.007 0.300 1 61 14 14 SER N N 117.730 0.300 1 62 14 14 SER H H 8.673 0.030 1 63 14 14 SER CA C 57.166 0.300 1 64 14 14 SER HA H 5.308 0.030 1 65 14 14 SER CB C 65.510 0.300 1 66 14 14 SER HB2 H 3.621 0.030 1 67 14 14 SER HB3 H 3.621 0.030 1 68 14 14 SER C C 173.013 0.300 1 69 15 15 CYS N N 125.795 0.300 1 70 15 15 CYS H H 9.205 0.030 1 71 15 15 CYS CA C 59.676 0.300 1 72 15 15 CYS HA H 4.541 0.030 1 73 15 15 CYS CB C 29.996 0.300 1 74 15 15 CYS HB2 H 2.902 0.030 2 75 15 15 CYS HB3 H 3.392 0.030 2 76 15 15 CYS C C 177.406 0.300 1 77 16 16 ASN N N 130.048 0.300 1 78 16 16 ASN H H 9.338 0.030 1 79 16 16 ASN CA C 55.280 0.300 1 80 16 16 ASN HA H 4.549 0.030 1 81 16 16 ASN CB C 37.925 0.300 1 82 16 16 ASN HB2 H 2.968 0.030 2 83 16 16 ASN HB3 H 2.897 0.030 2 84 16 16 ASN ND2 N 112.445 0.300 1 85 16 16 ASN HD21 H 7.632 0.030 2 86 16 16 ASN HD22 H 6.888 0.030 2 87 16 16 ASN C C 174.862 0.300 1 88 17 17 VAL N N 123.044 0.300 1 89 17 17 VAL H H 9.097 0.030 1 90 17 17 VAL CA C 65.187 0.300 1 91 17 17 VAL HA H 3.802 0.030 1 92 17 17 VAL CB C 32.789 0.300 1 93 17 17 VAL HB H 1.226 0.030 1 94 17 17 VAL CG1 C 20.302 0.300 2 95 17 17 VAL HG1 H 0.316 0.030 1 96 17 17 VAL CG2 C 20.932 0.300 2 97 17 17 VAL HG2 H 0.762 0.030 1 98 17 17 VAL C C 177.200 0.300 1 99 18 18 CYS N N 116.865 0.300 1 100 18 18 CYS H H 8.480 0.030 1 101 18 18 CYS CA C 58.318 0.300 1 102 18 18 CYS HA H 5.171 0.030 1 103 18 18 CYS CB C 32.802 0.300 1 104 18 18 CYS HB2 H 2.806 0.030 2 105 18 18 CYS HB3 H 3.479 0.030 2 106 18 18 CYS C C 176.592 0.300 1 107 19 19 GLY N N 113.414 0.300 1 108 19 19 GLY H H 8.031 0.030 1 109 19 19 GLY CA C 46.207 0.300 1 110 19 19 GLY HA2 H 3.888 0.030 2 111 19 19 GLY HA3 H 4.255 0.030 2 112 19 19 GLY C C 174.005 0.300 1 113 20 20 LYS N N 124.005 0.300 1 114 20 20 LYS H H 7.996 0.030 1 115 20 20 LYS CA C 58.589 0.300 1 116 20 20 LYS HA H 3.899 0.030 1 117 20 20 LYS CB C 33.573 0.300 1 118 20 20 LYS HB2 H 1.177 0.030 2 119 20 20 LYS HB3 H 1.453 0.030 2 120 20 20 LYS CG C 26.087 0.300 1 121 20 20 LYS HG2 H 0.999 0.030 2 122 20 20 LYS HG3 H 1.373 0.030 2 123 20 20 LYS CD C 29.350 0.300 1 124 20 20 LYS HD2 H 1.396 0.030 2 125 20 20 LYS HD3 H 1.484 0.030 2 126 20 20 LYS CE C 42.147 0.300 1 127 20 20 LYS HE2 H 2.966 0.030 2 128 20 20 LYS HE3 H 2.891 0.030 2 129 20 20 LYS C C 173.550 0.300 1 130 21 21 ALA N N 124.604 0.300 1 131 21 21 ALA H H 7.779 0.030 1 132 21 21 ALA CA C 50.576 0.300 1 133 21 21 ALA HA H 5.141 0.030 1 134 21 21 ALA CB C 22.100 0.300 1 135 21 21 ALA HB H 1.229 0.030 1 136 21 21 ALA C C 176.396 0.300 1 137 22 22 PHE N N 116.766 0.300 1 138 22 22 PHE H H 8.741 0.030 1 139 22 22 PHE CA C 57.289 0.300 1 140 22 22 PHE HA H 4.820 0.030 1 141 22 22 PHE CB C 44.102 0.300 1 142 22 22 PHE HB2 H 2.669 0.030 2 143 22 22 PHE HB3 H 3.501 0.030 2 144 22 22 PHE CD1 C 132.498 0.300 1 145 22 22 PHE HD1 H 7.284 0.030 1 146 22 22 PHE CD2 C 132.498 0.300 1 147 22 22 PHE HD2 H 7.284 0.030 1 148 22 22 PHE CE1 C 130.701 0.300 1 149 22 22 PHE HE1 H 6.886 0.030 1 150 22 22 PHE CE2 C 130.701 0.300 1 151 22 22 PHE HE2 H 6.886 0.030 1 152 22 22 PHE CZ C 128.726 0.300 1 153 22 22 PHE HZ H 6.276 0.030 1 154 22 22 PHE C C 174.919 0.300 1 155 23 23 VAL N N 120.073 0.300 1 156 23 23 VAL H H 9.112 0.030 1 157 23 23 VAL CA C 65.090 0.300 1 158 23 23 VAL HA H 4.199 0.030 1 159 23 23 VAL CB C 32.938 0.300 1 160 23 23 VAL HB H 2.243 0.030 1 161 23 23 VAL CG1 C 22.226 0.300 2 162 23 23 VAL HG1 H 1.192 0.030 1 163 23 23 VAL CG2 C 21.605 0.300 2 164 23 23 VAL HG2 H 1.116 0.030 1 165 23 23 VAL C C 175.563 0.300 1 166 24 24 LEU N N 115.397 0.300 1 167 24 24 LEU H H 7.329 0.030 1 168 24 24 LEU CA C 52.640 0.300 1 169 24 24 LEU HA H 4.798 0.030 1 170 24 24 LEU CB C 43.962 0.300 1 171 24 24 LEU HB2 H 0.813 0.030 2 172 24 24 LEU HB3 H 1.330 0.030 2 173 24 24 LEU CG C 26.678 0.300 1 174 24 24 LEU HG H 1.482 0.030 1 175 24 24 LEU CD1 C 22.992 0.300 2 176 24 24 LEU HD1 H 0.904 0.030 1 177 24 24 LEU CD2 C 24.889 0.300 2 178 24 24 LEU HD2 H 0.661 0.030 1 179 24 24 LEU C C 177.817 0.300 1 180 25 25 SER N N 121.327 0.300 1 181 25 25 SER H H 8.467 0.030 1 182 25 25 SER CA C 60.968 0.300 1 183 25 25 SER HA H 3.074 0.030 1 184 25 25 SER CB C 61.619 0.300 1 185 25 25 SER HB2 H 3.117 0.030 2 186 25 25 SER HB3 H 3.364 0.030 2 187 25 25 SER C C 177.184 0.300 1 188 26 26 ALA CA C 55.062 0.300 1 189 26 26 ALA HA H 4.055 0.030 1 190 26 26 ALA CB C 18.357 0.300 1 191 26 26 ALA HB H 1.309 0.030 1 192 26 26 ALA C C 180.290 0.300 1 193 27 27 HIS N N 115.252 0.300 1 194 27 27 HIS H H 6.767 0.030 1 195 27 27 HIS CA C 56.633 0.300 1 196 27 27 HIS HA H 4.410 0.030 1 197 27 27 HIS CB C 31.638 0.300 1 198 27 27 HIS HB2 H 3.183 0.030 2 199 27 27 HIS HB3 H 3.434 0.030 2 200 27 27 HIS CD2 C 115.882 0.300 1 201 27 27 HIS HD2 H 6.862 0.030 1 202 27 27 HIS CE1 C 139.416 0.300 1 203 27 27 HIS HE1 H 7.878 0.030 1 204 27 27 HIS C C 178.478 0.300 1 205 28 28 LEU N N 122.106 0.300 1 206 28 28 LEU H H 6.996 0.030 1 207 28 28 LEU CA C 57.746 0.300 1 208 28 28 LEU HA H 3.230 0.030 1 209 28 28 LEU CB C 39.918 0.300 1 210 28 28 LEU HB2 H 1.234 0.030 2 211 28 28 LEU HB3 H 1.935 0.030 2 212 28 28 LEU CG C 27.699 0.300 1 213 28 28 LEU HG H 1.576 0.030 1 214 28 28 LEU CD1 C 22.610 0.300 2 215 28 28 LEU HD1 H 1.044 0.030 1 216 28 28 LEU CD2 C 26.328 0.300 2 217 28 28 LEU HD2 H 1.056 0.030 1 218 28 28 LEU C C 177.325 0.300 1 219 29 29 ASN N N 116.979 0.300 1 220 29 29 ASN H H 8.235 0.030 1 221 29 29 ASN CA C 56.666 0.300 1 222 29 29 ASN HA H 4.311 0.030 1 223 29 29 ASN CB C 37.848 0.300 1 224 29 29 ASN HB2 H 2.735 0.030 1 225 29 29 ASN HB3 H 2.735 0.030 1 226 29 29 ASN ND2 N 111.766 0.300 1 227 29 29 ASN HD21 H 7.429 0.030 2 228 29 29 ASN HD22 H 6.815 0.030 2 229 29 29 ASN C C 177.975 0.300 1 230 30 30 GLN N N 117.598 0.300 1 231 30 30 GLN H H 7.545 0.030 1 232 30 30 GLN CA C 58.522 0.300 1 233 30 30 GLN HA H 4.017 0.030 1 234 30 30 GLN CB C 28.526 0.300 1 235 30 30 GLN HB2 H 2.094 0.030 2 236 30 30 GLN HB3 H 2.062 0.030 2 237 30 30 GLN CG C 33.649 0.300 1 238 30 30 GLN HG2 H 2.482 0.030 2 239 30 30 GLN HG3 H 2.423 0.030 2 240 30 30 GLN NE2 N 112.354 0.300 1 241 30 30 GLN HE21 H 7.532 0.030 2 242 30 30 GLN HE22 H 6.843 0.030 2 243 30 30 GLN C C 178.093 0.300 1 244 31 31 HIS N N 120.149 0.300 1 245 31 31 HIS H H 7.634 0.030 1 246 31 31 HIS CA C 59.164 0.300 1 247 31 31 HIS HA H 4.230 0.030 1 248 31 31 HIS CB C 28.669 0.300 1 249 31 31 HIS HB2 H 2.917 0.030 2 250 31 31 HIS HB3 H 3.238 0.030 2 251 31 31 HIS CD2 C 127.155 0.300 1 252 31 31 HIS HD2 H 7.022 0.030 1 253 31 31 HIS CE1 C 139.781 0.300 1 254 31 31 HIS HE1 H 8.026 0.030 1 255 31 31 HIS C C 176.050 0.300 1 256 32 32 LEU N N 117.026 0.300 1 257 32 32 LEU H H 8.303 0.030 1 258 32 32 LEU CA C 58.266 0.300 1 259 32 32 LEU HA H 3.824 0.030 1 260 32 32 LEU CB C 42.032 0.300 1 261 32 32 LEU HB2 H 1.580 0.030 2 262 32 32 LEU HB3 H 1.901 0.030 2 263 32 32 LEU CG C 27.088 0.300 1 264 32 32 LEU HG H 2.066 0.030 1 265 32 32 LEU CD1 C 25.620 0.300 2 266 32 32 LEU HD1 H 1.050 0.030 1 267 32 32 LEU CD2 C 24.669 0.300 2 268 32 32 LEU HD2 H 1.297 0.030 1 269 32 32 LEU C C 178.896 0.300 1 270 33 33 ARG N N 116.212 0.300 1 271 33 33 ARG H H 7.064 0.030 1 272 33 33 ARG CA C 58.296 0.300 1 273 33 33 ARG HA H 4.101 0.030 1 274 33 33 ARG CB C 29.962 0.300 1 275 33 33 ARG HB2 H 1.918 0.030 2 276 33 33 ARG HB3 H 1.823 0.030 2 277 33 33 ARG CG C 27.367 0.300 1 278 33 33 ARG HG2 H 1.787 0.030 2 279 33 33 ARG HG3 H 1.686 0.030 2 280 33 33 ARG CD C 43.405 0.300 1 281 33 33 ARG HD2 H 3.215 0.030 1 282 33 33 ARG HD3 H 3.215 0.030 1 283 33 33 ARG C C 178.559 0.300 1 284 34 34 VAL N N 116.383 0.300 1 285 34 34 VAL H H 7.963 0.030 1 286 34 34 VAL CA C 64.107 0.300 1 287 34 34 VAL HA H 3.911 0.030 1 288 34 34 VAL CB C 31.048 0.300 1 289 34 34 VAL HB H 1.949 0.030 1 290 34 34 VAL CG1 C 19.988 0.300 2 291 34 34 VAL HG1 H 0.682 0.030 1 292 34 34 VAL CG2 C 19.614 0.300 2 293 34 34 VAL HG2 H 0.508 0.030 1 294 34 34 VAL C C 177.493 0.300 1 295 35 35 HIS N N 116.627 0.300 1 296 35 35 HIS H H 7.182 0.030 1 297 35 35 HIS CA C 55.246 0.300 1 298 35 35 HIS HA H 4.912 0.030 1 299 35 35 HIS CB C 28.593 0.300 1 300 35 35 HIS HB2 H 3.222 0.030 2 301 35 35 HIS HB3 H 3.402 0.030 2 302 35 35 HIS CD2 C 127.575 0.300 1 303 35 35 HIS HD2 H 6.722 0.030 1 304 35 35 HIS CE1 C 140.213 0.300 1 305 35 35 HIS HE1 H 8.097 0.030 1 306 35 35 HIS C C 175.599 0.300 1 307 36 36 THR N N 113.157 0.300 1 308 36 36 THR H H 7.751 0.030 1 309 36 36 THR CA C 62.698 0.300 1 310 36 36 THR HA H 4.345 0.030 1 311 36 36 THR CB C 69.800 0.300 1 312 36 36 THR HB H 4.294 0.030 1 313 36 36 THR CG2 C 21.695 0.300 1 314 36 36 THR HG2 H 1.249 0.030 1 315 36 36 THR C C 174.754 0.300 1 316 37 37 GLN N N 121.531 0.300 1 317 37 37 GLN H H 8.263 0.030 1 318 37 37 GLN CA C 56.362 0.300 1 319 37 37 GLN HA H 4.337 0.030 1 320 37 37 GLN CB C 29.282 0.300 1 321 37 37 GLN HB2 H 2.165 0.030 2 322 37 37 GLN HB3 H 2.059 0.030 2 323 37 37 GLN CG C 33.918 0.300 1 324 37 37 GLN HG2 H 2.397 0.030 1 325 37 37 GLN HG3 H 2.397 0.030 1 326 37 37 GLN NE2 N 111.600 0.300 1 327 37 37 GLN HE21 H 6.849 0.030 2 328 37 37 GLN HE22 H 7.439 0.030 2 329 37 37 GLN C C 176.193 0.300 1 330 38 38 GLU N N 121.589 0.300 1 331 38 38 GLU H H 8.347 0.030 1 332 38 38 GLU CA C 57.138 0.300 1 333 38 38 GLU HA H 4.312 0.030 1 334 38 38 GLU CB C 30.433 0.300 1 335 38 38 GLU HB2 H 2.070 0.030 2 336 38 38 GLU HB3 H 2.031 0.030 2 337 38 38 GLU CG C 36.396 0.300 1 338 38 38 GLU HG2 H 2.332 0.030 2 339 38 38 GLU HG3 H 2.269 0.030 2 340 38 38 GLU C C 176.848 0.300 1 341 39 39 THR N N 115.160 0.300 1 342 39 39 THR H H 8.173 0.030 1 343 39 39 THR CA C 61.834 0.300 1 344 39 39 THR HA H 4.376 0.030 1 345 39 39 THR CB C 69.909 0.300 1 346 39 39 THR HB H 4.225 0.030 1 347 39 39 THR CG2 C 21.511 0.300 1 348 39 39 THR HG2 H 1.207 0.030 1 349 39 39 THR C C 174.596 0.300 1 350 40 40 LEU N N 124.714 0.300 1 351 40 40 LEU H H 8.266 0.030 1 352 40 40 LEU CA C 55.357 0.300 1 353 40 40 LEU HA H 4.415 0.030 1 354 40 40 LEU CB C 42.326 0.300 1 355 40 40 LEU HB2 H 1.703 0.030 2 356 40 40 LEU HB3 H 1.622 0.030 2 357 40 40 LEU CG C 26.960 0.300 1 358 40 40 LEU HG H 1.658 0.030 1 359 40 40 LEU CD1 C 25.066 0.300 2 360 40 40 LEU HD1 H 0.917 0.030 1 361 40 40 LEU CD2 C 23.418 0.300 2 362 40 40 LEU HD2 H 0.869 0.030 1 363 40 40 LEU C C 177.381 0.300 1 364 41 41 SER N N 116.335 0.300 1 365 41 41 SER H H 8.278 0.030 1 366 41 41 SER CA C 58.331 0.300 1 367 41 41 SER HA H 4.514 0.030 1 368 41 41 SER CB C 63.988 0.300 1 369 41 41 SER HB2 H 3.894 0.030 1 370 41 41 SER HB3 H 3.894 0.030 1 371 41 41 SER C C 174.478 0.300 1 372 42 42 GLY N N 110.674 0.300 1 373 42 42 GLY H H 8.181 0.030 1 374 42 42 GLY CA C 44.661 0.300 1 375 42 42 GLY HA2 H 4.176 0.030 2 376 42 42 GLY HA3 H 4.100 0.030 2 377 42 42 GLY C C 171.721 0.300 1 378 43 43 PRO CA C 63.345 0.300 1 379 43 43 PRO HA H 4.491 0.030 1 380 43 43 PRO CB C 32.228 0.300 1 381 43 43 PRO HB2 H 2.308 0.030 1 382 43 43 PRO HB3 H 2.308 0.030 1 383 43 43 PRO CG C 27.209 0.300 1 384 43 43 PRO HG2 H 2.026 0.030 1 385 43 43 PRO HG3 H 2.026 0.030 1 386 43 43 PRO CD C 49.804 0.300 1 387 43 43 PRO HD2 H 3.639 0.030 1 388 43 43 PRO HD3 H 3.639 0.030 1 stop_ save_