data_11171 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Solution structure of the C2H2 type zinc finger (region 659-691) of human Zinc finger protein 484 ; _BMRB_accession_number 11171 _BMRB_flat_file_name bmr11171.str _Entry_type original _Submission_date 2010-04-15 _Accession_date 2010-04-15 _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" 197 "13C chemical shifts" 143 "15N chemical shifts" 30 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2011-05-05 original author . stop_ _Original_release_date 2011-05-05 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 659-691) 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 ; GSSGSSGTGEKPYKCSDCGK AFTRKSGLHIHQQSHTGERH 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 LYS 15 CYS 16 SER 17 ASP 18 CYS 19 GLY 20 LYS 21 ALA 22 PHE 23 THR 24 ARG 25 LYS 26 SER 27 GLY 28 LEU 29 HIS 30 ILE 31 HIS 32 GLN 33 GLN 34 SER 35 HIS 36 THR 37 GLY 38 GLU 39 ARG 40 HIS 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 2YTO "Solution Structure Of The C2h2 Type Zinc Finger (region 659- 691) Of Human Zinc Finger Protein 484" 100.00 46 100.00 100.00 2.14e-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 no _Details ; Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Tue Jun 9 16:52:42 2009 ; loop_ _Atom_name _PDB_atom_name _Atom_type _Atom_chirality _Atom_charge _Atom_oxidation_number _Atom_unpaired_electrons ZN ZN ZN . 2 . ? stop_ _Mol_thiol_state . _Sequence_homology_query_date . save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species $entity_1 human 9606 Eukaryota Metazoa Homo sapiens stop_ save_ ######################### # Experimental source # ######################### save_experimental_source _Saveframe_category experimental_source loop_ _Mol_label _Production_method _Host_organism_name_common _Genus _Species _Strain _Vector_name $entity_1 'cell free synthesis' . Escherichia coli . P070115-48 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Saveframe_category sample _Sample_type solution _Details ; about 1.0mM sample {U-15N,13C;} 20mM {d-Tris-HCl;} 100mM {NaCl;} 0.05mM {ZnCl2;} 1mM {IDA;} 1mM {d-DTT;} 0.02% {NaN3;} 90% H2O, 10% D2O ; loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $entity_1 1.0 mM '[U-13C; U-15N]' d-Tris-HCl 20 mM 'natural abundance' NaCl 100 mM 'natural abundance' ZnCl2 0.05 mM 'natural abundance' IDA 1 mM 'natural abundance' d-DTT 1 mM 'natural abundance' NaN3 0.02 % 'natural abundance' H2O 90 % . D2O 10 % . stop_ save_ ############################ # Computer software used # ############################ save_XWINNMR _Saveframe_category software _Name xwinnmr _Version 3.5 loop_ _Vendor _Address _Electronic_address Bruker . . stop_ loop_ _Task collection stop_ _Details . save_ save_NMRPipe _Saveframe_category software _Name NMRPipe _Version 20030801 loop_ _Vendor _Address _Electronic_address 'Delaglio, F.' . . stop_ loop_ _Task processing stop_ _Details . save_ save_NMRVIEW _Saveframe_category software _Name NMRView _Version 5.0.4 loop_ _Vendor _Address _Electronic_address 'Johnson, B.A.' . . stop_ loop_ _Task 'data analysis' stop_ _Details . save_ save_Kujira _Saveframe_category software _Name Kujira _Version 0.9820 loop_ _Vendor _Address _Electronic_address 'Kobayashi, N.' . . stop_ loop_ _Task 'data analysis' stop_ _Details . save_ save_CYANA _Saveframe_category software _Name CYANA _Version 2.0.17 loop_ _Vendor _Address _Electronic_address 'Guntert, P.' . . stop_ loop_ _Task 'structure solution' stop_ _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model AVANCE _Field_strength 700 _Details . save_ ############################# # NMR applied experiments # ############################# save_3D_13C-separated_NOESY_1 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 13C-separated NOESY' _Sample_label $sample_1 save_ save_3D_15N-separated_NOESY_2 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 15N-separated NOESY' _Sample_label $sample_1 save_ ####################### # Sample conditions # ####################### save_condition_1 _Saveframe_category sample_conditions _Details . loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units 'ionic strength' 120 0.1 mM pH 7.0 0.05 pH pressure 1 0.001 atm temperature 298 0.1 K stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_reference_1 _Saveframe_category chemical_shift_reference _Details ; Chemical shift reference of 1H was based on the proton of water (4.784ppm at 298K) and then those of 15N and 13C were calculated based on their gyromagnetic ratios. ; loop_ _Mol_common_name _Atom_type _Atom_isotope_number _Atom_group _Chem_shift_units _Chem_shift_value _Reference_method _Reference_type _External_reference_sample_geometry _External_reference_location _External_reference_axis _Indirect_shift_ratio DSS C 13 'methyl protons' ppm 0.0 . indirect . . . 0.251449530 DSS H 1 'methyl protons' ppm 0.0 . indirect . . . 1.0 DSS N 15 'methyl protons' ppm 0.0 . indirect . . . 0.101329118 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_chemical_shift_1 _Saveframe_category assigned_chemical_shifts _Details . loop_ _Software_label $XWINNMR $NMRPipe $NMRVIEW $Kujira $CYANA stop_ loop_ _Experiment_label '3D 13C-separated NOESY' '3D 15N-separated NOESY' stop_ loop_ _Sample_label $sample_1 stop_ _Sample_conditions_label $condition_1 _Chem_shift_reference_set_label $reference_1 _Mol_system_component_name zf-C2H2 _Text_data_format . _Text_data . loop_ _Atom_shift_assign_ID _Residue_author_seq_code _Residue_seq_code _Residue_label _Atom_name _Atom_type _Chem_shift_value _Chem_shift_value_error _Chem_shift_ambiguity_code 1 8 8 THR HA H 4.328 0.030 1 2 8 8 THR HB H 4.257 0.030 1 3 8 8 THR HG2 H 1.153 0.030 1 4 8 8 THR CA C 61.882 0.300 1 5 8 8 THR CB C 69.726 0.300 1 6 8 8 THR CG2 C 21.487 0.300 1 7 9 9 GLY HA2 H 3.898 0.030 1 8 9 9 GLY HA3 H 3.898 0.030 1 9 9 9 GLY CA C 45.174 0.300 1 10 10 10 GLU H H 8.180 0.030 1 11 10 10 GLU HA H 4.151 0.030 1 12 10 10 GLU HB2 H 1.933 0.030 2 13 10 10 GLU HB3 H 1.865 0.030 2 14 10 10 GLU HG2 H 2.210 0.030 1 15 10 10 GLU HG3 H 2.210 0.030 1 16 10 10 GLU C C 176.478 0.300 1 17 10 10 GLU CA C 56.690 0.300 1 18 10 10 GLU CB C 30.246 0.300 1 19 10 10 GLU CG C 36.213 0.300 1 20 10 10 GLU N N 120.432 0.300 1 21 11 11 LYS H H 8.294 0.030 1 22 11 11 LYS HA H 4.461 0.030 1 23 11 11 LYS HB2 H 1.516 0.030 2 24 11 11 LYS HB3 H 1.350 0.030 2 25 11 11 LYS HD2 H 1.427 0.030 1 26 11 11 LYS HD3 H 1.427 0.030 1 27 11 11 LYS HE2 H 2.848 0.030 1 28 11 11 LYS HE3 H 2.848 0.030 1 29 11 11 LYS HG2 H 1.267 0.030 2 30 11 11 LYS HG3 H 1.157 0.030 2 31 11 11 LYS C C 176.113 0.300 1 32 11 11 LYS CA C 53.895 0.300 1 33 11 11 LYS CB C 33.130 0.300 1 34 11 11 LYS CD C 29.510 0.300 1 35 11 11 LYS CE C 42.000 0.300 1 36 11 11 LYS CG C 24.846 0.300 1 37 11 11 LYS N N 122.148 0.300 1 38 12 12 PRO HA H 4.198 0.030 1 39 12 12 PRO HB2 H 1.097 0.030 2 40 12 12 PRO HB3 H 1.976 0.030 2 41 12 12 PRO HD2 H 3.625 0.030 1 42 12 12 PRO HD3 H 3.625 0.030 1 43 12 12 PRO HG2 H 1.534 0.030 2 44 12 12 PRO HG3 H 1.750 0.030 2 45 12 12 PRO C C 176.560 0.300 1 46 12 12 PRO CA C 63.536 0.300 1 47 12 12 PRO CB C 32.262 0.300 1 48 12 12 PRO CD C 50.352 0.300 1 49 12 12 PRO CG C 26.606 0.300 1 50 13 13 TYR H H 7.711 0.030 1 51 13 13 TYR HA H 4.624 0.030 1 52 13 13 TYR HB2 H 2.929 0.030 2 53 13 13 TYR HB3 H 2.793 0.030 2 54 13 13 TYR HD1 H 6.973 0.030 1 55 13 13 TYR HD2 H 6.973 0.030 1 56 13 13 TYR HE1 H 6.867 0.030 1 57 13 13 TYR HE2 H 6.867 0.030 1 58 13 13 TYR C C 174.525 0.300 1 59 13 13 TYR CA C 57.598 0.300 1 60 13 13 TYR CB C 38.446 0.300 1 61 13 13 TYR CD1 C 133.309 0.300 1 62 13 13 TYR CD2 C 133.309 0.300 1 63 13 13 TYR CE1 C 118.443 0.300 1 64 13 13 TYR CE2 C 118.443 0.300 1 65 13 13 TYR N N 118.191 0.300 1 66 14 14 LYS H H 8.607 0.030 1 67 14 14 LYS HA H 4.936 0.030 1 68 14 14 LYS HB2 H 1.605 0.030 1 69 14 14 LYS HB3 H 1.605 0.030 1 70 14 14 LYS HD2 H 1.604 0.030 2 71 14 14 LYS HD3 H 1.539 0.030 2 72 14 14 LYS HE2 H 2.887 0.030 2 73 14 14 LYS HE3 H 2.933 0.030 2 74 14 14 LYS HG2 H 1.160 0.030 2 75 14 14 LYS HG3 H 1.201 0.030 2 76 14 14 LYS C C 175.378 0.300 1 77 14 14 LYS CA C 55.192 0.300 1 78 14 14 LYS CB C 35.204 0.300 1 79 14 14 LYS CD C 29.328 0.300 1 80 14 14 LYS CE C 42.038 0.300 1 81 14 14 LYS CG C 24.846 0.300 1 82 14 14 LYS N N 124.787 0.300 1 83 15 15 CYS H H 9.259 0.030 1 84 15 15 CYS HA H 4.511 0.030 1 85 15 15 CYS HB2 H 3.414 0.030 2 86 15 15 CYS HB3 H 2.875 0.030 2 87 15 15 CYS C C 177.614 0.300 1 88 15 15 CYS CA C 59.703 0.300 1 89 15 15 CYS CB C 29.836 0.300 1 90 15 15 CYS N N 127.128 0.300 1 91 16 16 SER HA H 4.237 0.030 1 92 16 16 SER HB2 H 4.006 0.030 2 93 16 16 SER HB3 H 3.947 0.030 2 94 16 16 SER C C 174.393 0.300 1 95 16 16 SER CA C 61.008 0.300 1 96 16 16 SER CB C 63.066 0.300 1 97 17 17 ASP H H 8.733 0.030 1 98 17 17 ASP HA H 4.545 0.030 1 99 17 17 ASP HB2 H 1.939 0.030 2 100 17 17 ASP HB3 H 1.842 0.030 2 101 17 17 ASP C C 176.831 0.300 1 102 17 17 ASP CA C 56.892 0.300 1 103 17 17 ASP CB C 41.532 0.300 1 104 17 17 ASP N N 123.166 0.300 1 105 18 18 CYS H H 7.939 0.030 1 106 18 18 CYS HA H 5.114 0.030 1 107 18 18 CYS HB2 H 2.864 0.030 2 108 18 18 CYS HB3 H 3.376 0.030 2 109 18 18 CYS C C 176.196 0.300 1 110 18 18 CYS CA C 58.632 0.300 1 111 18 18 CYS CB C 32.302 0.300 1 112 18 18 CYS N N 115.052 0.300 1 113 19 19 GLY H H 8.166 0.030 1 114 19 19 GLY HA2 H 3.776 0.030 2 115 19 19 GLY HA3 H 4.236 0.030 2 116 19 19 GLY C C 173.706 0.300 1 117 19 19 GLY CA C 46.179 0.300 1 118 19 19 GLY N N 113.008 0.300 1 119 20 20 LYS H H 8.064 0.030 1 120 20 20 LYS HA H 3.919 0.030 1 121 20 20 LYS HB2 H 1.223 0.030 2 122 20 20 LYS HB3 H 1.401 0.030 2 123 20 20 LYS HD2 H 1.399 0.030 2 124 20 20 LYS HD3 H 1.467 0.030 2 125 20 20 LYS HE2 H 2.933 0.030 2 126 20 20 LYS HE3 H 2.855 0.030 2 127 20 20 LYS HG2 H 1.407 0.030 2 128 20 20 LYS HG3 H 1.081 0.030 2 129 20 20 LYS C C 173.760 0.300 1 130 20 20 LYS CA C 58.422 0.300 1 131 20 20 LYS CB C 33.590 0.300 1 132 20 20 LYS CD C 29.306 0.300 1 133 20 20 LYS CE C 42.188 0.300 1 134 20 20 LYS CG C 26.237 0.300 1 135 20 20 LYS N N 123.467 0.300 1 136 21 21 ALA H H 7.795 0.030 1 137 21 21 ALA HA H 5.184 0.030 1 138 21 21 ALA HB H 1.171 0.030 1 139 21 21 ALA C C 176.098 0.300 1 140 21 21 ALA CA C 50.432 0.300 1 141 21 21 ALA CB C 22.514 0.300 1 142 21 21 ALA N N 124.254 0.300 1 143 22 22 PHE H H 8.720 0.030 1 144 22 22 PHE HA H 4.619 0.030 1 145 22 22 PHE HB2 H 2.626 0.030 2 146 22 22 PHE HB3 H 3.543 0.030 2 147 22 22 PHE HD1 H 7.230 0.030 1 148 22 22 PHE HD2 H 7.230 0.030 1 149 22 22 PHE HE1 H 6.806 0.030 1 150 22 22 PHE HE2 H 6.806 0.030 1 151 22 22 PHE HZ H 6.286 0.030 1 152 22 22 PHE C C 175.403 0.300 1 153 22 22 PHE CA C 57.821 0.300 1 154 22 22 PHE CB C 43.282 0.300 1 155 22 22 PHE CD1 C 131.922 0.300 1 156 22 22 PHE CD2 C 131.922 0.300 1 157 22 22 PHE CE1 C 130.851 0.300 1 158 22 22 PHE CE2 C 130.851 0.300 1 159 22 22 PHE CZ C 128.790 0.300 1 160 22 22 PHE N N 117.270 0.300 1 161 23 23 THR H H 8.822 0.030 1 162 23 23 THR HA H 4.339 0.030 1 163 23 23 THR HB H 4.329 0.030 1 164 23 23 THR HG2 H 1.374 0.030 1 165 23 23 THR C C 174.468 0.300 1 166 23 23 THR CA C 64.872 0.300 1 167 23 23 THR CB C 69.637 0.300 1 168 23 23 THR CG2 C 22.688 0.300 1 169 23 23 THR N N 115.322 0.300 1 170 24 24 ARG H H 7.982 0.030 1 171 24 24 ARG HA H 4.853 0.030 1 172 24 24 ARG HB2 H 1.784 0.030 2 173 24 24 ARG HB3 H 1.982 0.030 2 174 24 24 ARG HD2 H 3.249 0.030 2 175 24 24 ARG HD3 H 3.190 0.030 2 176 24 24 ARG HG2 H 1.709 0.030 1 177 24 24 ARG HG3 H 1.709 0.030 1 178 24 24 ARG C C 176.383 0.300 1 179 24 24 ARG CA C 54.108 0.300 1 180 24 24 ARG CB C 33.453 0.300 1 181 24 24 ARG CD C 43.326 0.300 1 182 24 24 ARG CG C 27.190 0.300 1 183 24 24 ARG N N 117.405 0.300 1 184 25 25 LYS H H 8.476 0.030 1 185 25 25 LYS HA H 2.902 0.030 1 186 25 25 LYS HB2 H 1.342 0.030 2 187 25 25 LYS HB3 H 1.093 0.030 2 188 25 25 LYS HD2 H 0.824 0.030 1 189 25 25 LYS HD3 H 0.824 0.030 1 190 25 25 LYS HE2 H 2.880 0.030 1 191 25 25 LYS HE3 H 2.880 0.030 1 192 25 25 LYS HG2 H 1.505 0.030 1 193 25 25 LYS HG3 H 1.505 0.030 1 194 25 25 LYS C C 178.231 0.300 1 195 25 25 LYS CA C 59.641 0.300 1 196 25 25 LYS CB C 31.626 0.300 1 197 25 25 LYS CD C 24.930 0.300 1 198 25 25 LYS CE C 41.902 0.300 1 199 25 25 LYS CG C 29.276 0.300 1 200 25 25 LYS N N 126.598 0.300 1 201 26 26 SER HA H 4.012 0.030 1 202 26 26 SER HB2 H 3.838 0.030 2 203 26 26 SER HB3 H 3.798 0.030 2 204 26 26 SER C C 176.846 0.300 1 205 26 26 SER CA C 60.553 0.300 1 206 26 26 SER CB C 61.702 0.300 1 207 27 27 GLY H H 6.950 0.030 1 208 27 27 GLY HA2 H 3.724 0.030 2 209 27 27 GLY HA3 H 3.992 0.030 2 210 27 27 GLY C C 176.057 0.300 1 211 27 27 GLY CA C 46.562 0.300 1 212 27 27 GLY N N 109.129 0.300 1 213 28 28 LEU H H 6.947 0.030 1 214 28 28 LEU HA H 3.097 0.030 1 215 28 28 LEU HB2 H 1.171 0.030 2 216 28 28 LEU HB3 H 1.850 0.030 2 217 28 28 LEU HD1 H 0.970 0.030 1 218 28 28 LEU HD2 H 0.941 0.030 1 219 28 28 LEU HG H 1.460 0.030 1 220 28 28 LEU C C 177.423 0.300 1 221 28 28 LEU CA C 57.468 0.300 1 222 28 28 LEU CB C 40.352 0.300 1 223 28 28 LEU CD1 C 22.696 0.300 2 224 28 28 LEU CD2 C 26.364 0.300 2 225 28 28 LEU CG C 27.460 0.300 1 226 28 28 LEU N N 123.401 0.300 1 227 29 29 HIS H H 8.249 0.030 1 228 29 29 HIS HA H 4.358 0.030 1 229 29 29 HIS HB2 H 3.066 0.030 1 230 29 29 HIS HB3 H 3.066 0.030 1 231 29 29 HIS HD2 H 6.822 0.030 1 232 29 29 HIS C C 178.461 0.300 1 233 29 29 HIS CA C 59.182 0.300 1 234 29 29 HIS CB C 30.198 0.300 1 235 29 29 HIS CD2 C 119.513 0.300 1 236 29 29 HIS N N 118.865 0.300 1 237 30 30 ILE H H 7.710 0.030 1 238 30 30 ILE HA H 3.664 0.030 1 239 30 30 ILE HB H 1.754 0.030 1 240 30 30 ILE HD1 H 0.798 0.030 1 241 30 30 ILE HG12 H 1.652 0.030 2 242 30 30 ILE HG13 H 1.217 0.030 2 243 30 30 ILE HG2 H 0.862 0.030 1 244 30 30 ILE C C 179.241 0.300 1 245 30 30 ILE CA C 64.084 0.300 1 246 30 30 ILE CB C 37.990 0.300 1 247 30 30 ILE CD1 C 12.447 0.300 1 248 30 30 ILE CG1 C 29.093 0.300 1 249 30 30 ILE CG2 C 17.122 0.300 1 250 30 30 ILE N N 118.634 0.300 1 251 31 31 HIS H H 7.479 0.030 1 252 31 31 HIS HA H 4.179 0.030 1 253 31 31 HIS HB2 H 2.979 0.030 2 254 31 31 HIS HB3 H 2.874 0.030 2 255 31 31 HIS HD2 H 6.910 0.030 1 256 31 31 HIS HE1 H 7.954 0.030 1 257 31 31 HIS C C 178.127 0.300 1 258 31 31 HIS CA C 59.399 0.300 1 259 31 31 HIS CB C 28.764 0.300 1 260 31 31 HIS CD2 C 127.283 0.300 1 261 31 31 HIS CE1 C 139.730 0.300 1 262 31 31 HIS N N 120.249 0.300 1 263 32 32 GLN H H 8.896 0.030 1 264 32 32 GLN HA H 3.699 0.030 1 265 32 32 GLN HB2 H 2.118 0.030 2 266 32 32 GLN HB3 H 2.314 0.030 2 267 32 32 GLN HE21 H 7.654 0.030 2 268 32 32 GLN HE22 H 6.978 0.030 2 269 32 32 GLN HG2 H 2.754 0.030 1 270 32 32 GLN HG3 H 2.754 0.030 1 271 32 32 GLN C C 177.992 0.300 1 272 32 32 GLN CA C 59.665 0.300 1 273 32 32 GLN CB C 28.086 0.300 1 274 32 32 GLN CG C 35.442 0.300 1 275 32 32 GLN N N 119.754 0.300 1 276 32 32 GLN NE2 N 112.596 0.300 1 277 33 33 GLN H H 7.292 0.030 1 278 33 33 GLN HA H 4.037 0.030 1 279 33 33 GLN HB2 H 2.085 0.030 2 280 33 33 GLN HB3 H 2.041 0.030 2 281 33 33 GLN HE21 H 7.173 0.030 2 282 33 33 GLN HE22 H 6.785 0.030 2 283 33 33 GLN HG2 H 2.451 0.030 2 284 33 33 GLN HG3 H 2.343 0.030 2 285 33 33 GLN C C 177.571 0.300 1 286 33 33 GLN CA C 57.690 0.300 1 287 33 33 GLN CB C 27.955 0.300 1 288 33 33 GLN CG C 33.702 0.300 1 289 33 33 GLN N N 117.356 0.300 1 290 33 33 GLN NE2 N 111.675 0.300 1 291 34 34 SER H H 7.774 0.030 1 292 34 34 SER HA H 4.186 0.030 1 293 34 34 SER HB2 H 3.757 0.030 2 294 34 34 SER HB3 H 3.670 0.030 2 295 34 34 SER C C 174.910 0.300 1 296 34 34 SER CA C 60.285 0.300 1 297 34 34 SER CB C 63.261 0.300 1 298 34 34 SER N N 113.787 0.300 1 299 35 35 HIS H H 7.227 0.030 1 300 35 35 HIS HA H 4.847 0.030 1 301 35 35 HIS HB2 H 3.193 0.030 2 302 35 35 HIS HB3 H 3.134 0.030 2 303 35 35 HIS HD2 H 6.715 0.030 1 304 35 35 HIS HE1 H 7.950 0.030 1 305 35 35 HIS C C 175.558 0.300 1 306 35 35 HIS CA C 55.599 0.300 1 307 35 35 HIS CB C 28.766 0.300 1 308 35 35 HIS CD2 C 127.363 0.300 1 309 35 35 HIS CE1 C 139.730 0.300 1 310 35 35 HIS N N 119.371 0.300 1 311 36 36 THR H H 7.762 0.030 1 312 36 36 THR HA H 4.281 0.030 1 313 36 36 THR HB H 4.258 0.030 1 314 36 36 THR HG2 H 1.191 0.030 1 315 36 36 THR C C 175.317 0.300 1 316 36 36 THR CA C 62.639 0.300 1 317 36 36 THR CB C 69.709 0.300 1 318 36 36 THR CG2 C 21.515 0.300 1 319 36 36 THR N N 112.989 0.300 1 320 37 37 GLY H H 8.373 0.030 1 321 37 37 GLY HA2 H 3.963 0.030 1 322 37 37 GLY HA3 H 3.963 0.030 1 323 37 37 GLY C C 174.207 0.300 1 324 37 37 GLY CA C 45.355 0.300 1 325 37 37 GLY N N 110.889 0.300 1 326 38 38 GLU H H 8.134 0.030 1 327 38 38 GLU HA H 4.205 0.030 1 328 38 38 GLU HB2 H 1.961 0.030 2 329 38 38 GLU HB3 H 1.888 0.030 2 330 38 38 GLU HG2 H 2.210 0.030 1 331 38 38 GLU HG3 H 2.210 0.030 1 332 38 38 GLU C C 176.344 0.300 1 333 38 38 GLU CA C 56.552 0.300 1 334 38 38 GLU CB C 30.363 0.300 1 335 38 38 GLU CG C 36.211 0.300 1 336 38 38 GLU N N 120.595 0.300 1 337 39 39 ARG H H 8.308 0.030 1 338 39 39 ARG HA H 4.274 0.030 1 339 39 39 ARG HB2 H 1.755 0.030 2 340 39 39 ARG HB3 H 1.683 0.030 2 341 39 39 ARG HD2 H 3.131 0.030 1 342 39 39 ARG HD3 H 3.131 0.030 1 343 39 39 ARG HG2 H 1.536 0.030 1 344 39 39 ARG HG3 H 1.536 0.030 1 345 39 39 ARG C C 174.070 0.300 1 346 39 39 ARG CA C 55.943 0.300 1 347 39 39 ARG CB C 30.667 0.300 1 348 39 39 ARG CD C 43.277 0.300 1 349 39 39 ARG CG C 26.895 0.300 1 350 39 39 ARG N N 121.749 0.300 1 351 40 40 HIS HD2 H 7.064 0.030 1 352 40 40 HIS CD2 C 120.029 0.300 1 353 42 42 GLY HA2 H 4.101 0.030 1 354 42 42 GLY HA3 H 4.101 0.030 1 355 42 42 GLY CA C 44.589 0.300 1 356 43 43 PRO HA H 4.456 0.030 1 357 43 43 PRO HB2 H 1.952 0.030 2 358 43 43 PRO HB3 H 2.271 0.030 2 359 43 43 PRO HD2 H 3.608 0.030 1 360 43 43 PRO HD3 H 3.608 0.030 1 361 43 43 PRO HG2 H 1.990 0.030 1 362 43 43 PRO HG3 H 1.990 0.030 1 363 43 43 PRO C C 177.402 0.300 1 364 43 43 PRO CA C 63.265 0.300 1 365 43 43 PRO CB C 32.162 0.300 1 366 43 43 PRO CD C 49.763 0.300 1 367 43 43 PRO CG C 27.150 0.300 1 368 44 44 SER H H 8.532 0.030 1 369 44 44 SER C C 174.648 0.300 1 370 44 44 SER N N 116.488 0.300 1 stop_ save_