data_10156 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Solution structure of the C2H2 type zinc finger (region 715-747) of human Zinc finger protein 484 ; _BMRB_accession_number 10156 _BMRB_flat_file_name bmr10156.str _Entry_type original _Submission_date 2007-12-11 _Accession_date 2007-12-12 _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" 214 "13C chemical shifts" 148 "15N chemical shifts" 30 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2008-12-11 original author . stop_ _Original_release_date 2008-12-11 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 715-747) 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 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 ; GSSGSSGTGEKPYICNECGK SFIQKSHLNRHRRIHTGEKP 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 ILE 15 CYS 16 ASN 17 GLU 18 CYS 19 GLY 20 LYS 21 SER 22 PHE 23 ILE 24 GLN 25 LYS 26 SER 27 HIS 28 LEU 29 ASN 30 ARG 31 HIS 32 ARG 33 ARG 34 ILE 35 HIS 36 THR 37 GLY 38 GLU 39 LYS 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 2YTS "Solution Structure Of The C2h2 Type Zinc Finger (Region 715- 747) Of Human Zinc Finger Protein 484" 100.00 46 100.00 100.00 3.87e-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 P070207-02 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 45.332 0.300 1 2 9 9 GLY HA2 H 3.946 0.030 2 3 9 9 GLY HA3 H 3.973 0.030 2 4 10 10 GLU N N 120.577 0.300 1 5 10 10 GLU H H 8.220 0.030 1 6 10 10 GLU CA C 56.615 0.300 1 7 10 10 GLU HA H 4.230 0.030 1 8 10 10 GLU CB C 30.561 0.300 1 9 10 10 GLU HB2 H 2.008 0.030 2 10 10 10 GLU HB3 H 1.900 0.030 2 11 10 10 GLU CG C 36.269 0.300 1 12 10 10 GLU HG2 H 2.270 0.030 2 13 10 10 GLU HG3 H 2.219 0.030 2 14 11 11 LYS N N 122.715 0.300 1 15 11 11 LYS H H 8.255 0.030 1 16 11 11 LYS CA C 53.967 0.300 1 17 11 11 LYS HA H 4.542 0.030 1 18 11 11 LYS CB C 32.542 0.300 1 19 11 11 LYS HB2 H 1.614 0.030 1 20 11 11 LYS HB3 H 1.614 0.030 1 21 11 11 LYS CG C 24.756 0.300 1 22 11 11 LYS HG2 H 1.386 0.030 2 23 11 11 LYS HG3 H 1.291 0.030 2 24 11 11 LYS CD C 29.269 0.300 1 25 11 11 LYS HD2 H 1.591 0.030 2 26 11 11 LYS HD3 H 1.568 0.030 2 27 11 11 LYS CE C 42.060 0.300 1 28 11 11 LYS HE2 H 2.948 0.030 1 29 11 11 LYS HE3 H 2.948 0.030 1 30 12 12 PRO CA C 63.013 0.300 1 31 12 12 PRO HA H 4.338 0.030 1 32 12 12 PRO CB C 32.326 0.300 1 33 12 12 PRO HB2 H 1.471 0.030 2 34 12 12 PRO HB3 H 2.039 0.030 2 35 12 12 PRO CG C 26.855 0.300 1 36 12 12 PRO HG2 H 1.728 0.030 2 37 12 12 PRO HG3 H 1.864 0.030 2 38 12 12 PRO CD C 50.298 0.300 1 39 12 12 PRO HD2 H 3.683 0.030 2 40 12 12 PRO HD3 H 3.610 0.030 2 41 12 12 PRO C C 176.009 0.300 1 42 13 13 TYR N N 119.228 0.300 1 43 13 13 TYR H H 8.222 0.030 1 44 13 13 TYR CA C 57.803 0.300 1 45 13 13 TYR HA H 4.593 0.030 1 46 13 13 TYR CB C 38.831 0.300 1 47 13 13 TYR HB2 H 2.845 0.030 2 48 13 13 TYR HB3 H 2.996 0.030 2 49 13 13 TYR CD1 C 133.306 0.300 1 50 13 13 TYR HD1 H 7.038 0.030 1 51 13 13 TYR CD2 C 133.306 0.300 1 52 13 13 TYR HD2 H 7.038 0.030 1 53 13 13 TYR CE1 C 118.383 0.300 1 54 13 13 TYR HE1 H 6.896 0.030 1 55 13 13 TYR CE2 C 118.383 0.300 1 56 13 13 TYR HE2 H 6.896 0.030 1 57 13 13 TYR C C 174.614 0.300 1 58 14 14 ILE N N 124.244 0.300 1 59 14 14 ILE H H 8.484 0.030 1 60 14 14 ILE CA C 59.739 0.300 1 61 14 14 ILE HA H 4.668 0.030 1 62 14 14 ILE CB C 40.799 0.300 1 63 14 14 ILE HB H 1.671 0.030 1 64 14 14 ILE CG1 C 27.752 0.300 1 65 14 14 ILE HG12 H 0.984 0.030 2 66 14 14 ILE HG13 H 1.375 0.030 2 67 14 14 ILE CG2 C 17.041 0.300 1 68 14 14 ILE HG2 H 0.719 0.030 1 69 14 14 ILE CD1 C 12.985 0.300 1 70 14 14 ILE HD1 H 0.763 0.030 1 71 14 14 ILE C C 175.726 0.300 1 72 15 15 CYS N N 128.675 0.300 1 73 15 15 CYS H H 9.226 0.030 1 74 15 15 CYS CA C 59.812 0.300 1 75 15 15 CYS HA H 4.528 0.030 1 76 15 15 CYS CB C 29.505 0.300 1 77 15 15 CYS HB2 H 3.419 0.030 2 78 15 15 CYS HB3 H 2.880 0.030 2 79 15 15 CYS C C 176.706 0.300 1 80 16 16 ASN CA C 55.739 0.300 1 81 16 16 ASN HA H 4.510 0.030 1 82 16 16 ASN CB C 38.232 0.300 1 83 16 16 ASN HB2 H 2.895 0.030 1 84 16 16 ASN HB3 H 2.895 0.030 1 85 16 16 ASN ND2 N 113.460 0.300 1 86 16 16 ASN HD21 H 7.708 0.030 2 87 16 16 ASN HD22 H 6.997 0.030 2 88 16 16 ASN C C 175.263 0.300 1 89 17 17 GLU N N 120.356 0.300 1 90 17 17 GLU H H 8.711 0.030 1 91 17 17 GLU CA C 58.912 0.300 1 92 17 17 GLU HA H 4.219 0.030 1 93 17 17 GLU CB C 29.263 0.300 1 94 17 17 GLU HB2 H 1.288 0.030 1 95 17 17 GLU HB3 H 1.288 0.030 1 96 17 17 GLU CG C 36.556 0.300 1 97 17 17 GLU HG2 H 1.930 0.030 1 98 17 17 GLU HG3 H 1.930 0.030 1 99 17 17 GLU C C 177.266 0.300 1 100 18 18 CYS N N 114.672 0.300 1 101 18 18 CYS H H 7.905 0.030 1 102 18 18 CYS CA C 58.496 0.300 1 103 18 18 CYS HA H 5.190 0.030 1 104 18 18 CYS CB C 32.571 0.300 1 105 18 18 CYS HB2 H 2.872 0.030 2 106 18 18 CYS HB3 H 3.447 0.030 2 107 18 18 CYS C C 176.232 0.300 1 108 19 19 GLY N N 113.745 0.300 1 109 19 19 GLY H H 8.367 0.030 1 110 19 19 GLY CA C 46.162 0.300 1 111 19 19 GLY HA2 H 3.760 0.030 2 112 19 19 GLY HA3 H 4.235 0.030 2 113 19 19 GLY C C 173.727 0.300 1 114 20 20 LYS N N 122.843 0.300 1 115 20 20 LYS H H 7.974 0.030 1 116 20 20 LYS CA C 58.181 0.300 1 117 20 20 LYS HA H 4.028 0.030 1 118 20 20 LYS CB C 33.694 0.300 1 119 20 20 LYS HB2 H 1.289 0.030 2 120 20 20 LYS HB3 H 1.447 0.030 2 121 20 20 LYS CG C 26.442 0.300 1 122 20 20 LYS HG2 H 1.497 0.030 2 123 20 20 LYS HG3 H 1.155 0.030 2 124 20 20 LYS CD C 29.277 0.300 1 125 20 20 LYS HD2 H 1.555 0.030 2 126 20 20 LYS HD3 H 1.494 0.030 2 127 20 20 LYS CE C 42.239 0.300 1 128 20 20 LYS HE2 H 3.017 0.030 2 129 20 20 LYS HE3 H 2.952 0.030 2 130 20 20 LYS C C 173.876 0.300 1 131 21 21 SER N N 115.076 0.300 1 132 21 21 SER H H 7.770 0.030 1 133 21 21 SER CA C 56.403 0.300 1 134 21 21 SER HA H 5.275 0.030 1 135 21 21 SER CB C 66.263 0.300 1 136 21 21 SER HB2 H 3.608 0.030 2 137 21 21 SER HB3 H 3.578 0.030 2 138 21 21 SER C C 173.404 0.300 1 139 22 22 PHE N N 118.840 0.300 1 140 22 22 PHE H H 8.924 0.030 1 141 22 22 PHE CA C 57.316 0.300 1 142 22 22 PHE HA H 4.808 0.030 1 143 22 22 PHE CB C 43.905 0.300 1 144 22 22 PHE HB2 H 2.705 0.030 2 145 22 22 PHE HB3 H 3.455 0.030 2 146 22 22 PHE CD1 C 132.488 0.300 1 147 22 22 PHE HD1 H 7.277 0.030 1 148 22 22 PHE CD2 C 132.488 0.300 1 149 22 22 PHE HD2 H 7.277 0.030 1 150 22 22 PHE CE1 C 130.635 0.300 1 151 22 22 PHE HE1 H 6.853 0.030 1 152 22 22 PHE CE2 C 130.635 0.300 1 153 22 22 PHE HE2 H 6.853 0.030 1 154 22 22 PHE CZ C 128.662 0.300 1 155 22 22 PHE HZ H 6.174 0.030 1 156 22 22 PHE C C 175.257 0.300 1 157 23 23 ILE N N 119.405 0.300 1 158 23 23 ILE H H 9.109 0.030 1 159 23 23 ILE CA C 62.857 0.300 1 160 23 23 ILE HA H 4.343 0.030 1 161 23 23 ILE CB C 38.939 0.300 1 162 23 23 ILE HB H 2.052 0.030 1 163 23 23 ILE CG1 C 28.240 0.300 1 164 23 23 ILE HG12 H 1.622 0.030 2 165 23 23 ILE HG13 H 1.416 0.030 2 166 23 23 ILE CG2 C 18.016 0.300 1 167 23 23 ILE HG2 H 1.062 0.030 1 168 23 23 ILE CD1 C 13.206 0.300 1 169 23 23 ILE HD1 H 0.960 0.030 1 170 23 23 ILE C C 176.088 0.300 1 171 24 24 GLN N N 114.920 0.300 1 172 24 24 GLN H H 7.421 0.030 1 173 24 24 GLN CA C 53.880 0.300 1 174 24 24 GLN HA H 4.767 0.030 1 175 24 24 GLN CB C 31.063 0.300 1 176 24 24 GLN HB2 H 1.116 0.030 2 177 24 24 GLN HB3 H 1.951 0.030 2 178 24 24 GLN CG C 33.697 0.300 1 179 24 24 GLN HG2 H 2.185 0.030 2 180 24 24 GLN HG3 H 2.138 0.030 2 181 24 24 GLN NE2 N 111.791 0.300 1 182 24 24 GLN HE21 H 6.873 0.030 2 183 24 24 GLN HE22 H 7.352 0.030 2 184 24 24 GLN C C 176.179 0.300 1 185 25 25 LYS N N 127.347 0.300 1 186 25 25 LYS H H 8.616 0.030 1 187 25 25 LYS CA C 59.440 0.300 1 188 25 25 LYS HA H 2.991 0.030 1 189 25 25 LYS CB C 31.645 0.300 1 190 25 25 LYS HB2 H 1.483 0.030 2 191 25 25 LYS HB3 H 1.110 0.030 2 192 25 25 LYS CG C 24.739 0.300 1 193 25 25 LYS HG2 H 0.960 0.030 2 194 25 25 LYS HG3 H 1.170 0.030 2 195 25 25 LYS CD C 29.166 0.300 1 196 25 25 LYS HD2 H 1.569 0.030 2 197 25 25 LYS HD3 H 1.532 0.030 2 198 25 25 LYS CE C 42.029 0.300 1 199 25 25 LYS HE2 H 2.943 0.030 1 200 25 25 LYS HE3 H 2.943 0.030 1 201 25 25 LYS C C 178.388 0.300 1 202 26 26 SER CA C 60.966 0.300 1 203 26 26 SER HA H 4.070 0.030 1 204 26 26 SER CB C 61.804 0.300 1 205 26 26 SER HB2 H 3.887 0.030 1 206 26 26 SER HB3 H 3.887 0.030 1 207 26 26 SER C C 177.389 0.300 1 208 27 27 HIS N N 121.710 0.300 1 209 27 27 HIS H H 6.907 0.030 1 210 27 27 HIS CA C 57.311 0.300 1 211 27 27 HIS HA H 4.396 0.030 1 212 27 27 HIS CB C 31.623 0.300 1 213 27 27 HIS HB2 H 3.283 0.030 2 214 27 27 HIS HB3 H 3.450 0.030 2 215 27 27 HIS CD2 C 117.002 0.300 1 216 27 27 HIS HD2 H 6.980 0.030 1 217 27 27 HIS CE1 C 139.071 0.300 1 218 27 27 HIS HE1 H 7.813 0.030 1 219 27 27 HIS C C 178.263 0.300 1 220 28 28 LEU N N 122.374 0.300 1 221 28 28 LEU H H 7.041 0.030 1 222 28 28 LEU CA C 57.786 0.300 1 223 28 28 LEU HA H 3.137 0.030 1 224 28 28 LEU CB C 40.116 0.300 1 225 28 28 LEU HB2 H 1.232 0.030 2 226 28 28 LEU HB3 H 1.972 0.030 2 227 28 28 LEU CG C 27.651 0.300 1 228 28 28 LEU HG H 1.504 0.030 1 229 28 28 LEU CD1 C 22.765 0.300 2 230 28 28 LEU HD1 H 1.016 0.030 1 231 28 28 LEU CD2 C 26.716 0.300 2 232 28 28 LEU HD2 H 1.018 0.030 1 233 28 28 LEU C C 177.533 0.300 1 234 29 29 ASN N N 117.551 0.300 1 235 29 29 ASN H H 8.313 0.030 1 236 29 29 ASN CA C 56.172 0.300 1 237 29 29 ASN HA H 4.289 0.030 1 238 29 29 ASN CB C 37.474 0.300 1 239 29 29 ASN HB2 H 2.774 0.030 1 240 29 29 ASN HB3 H 2.774 0.030 1 241 29 29 ASN ND2 N 111.043 0.300 1 242 29 29 ASN HD21 H 7.567 0.030 2 243 29 29 ASN HD22 H 6.745 0.030 2 244 29 29 ASN C C 177.889 0.300 1 245 30 30 ARG N N 119.042 0.300 1 246 30 30 ARG H H 7.644 0.030 1 247 30 30 ARG CA C 59.123 0.300 1 248 30 30 ARG HA H 4.021 0.030 1 249 30 30 ARG CB C 30.220 0.300 1 250 30 30 ARG HB2 H 1.875 0.030 1 251 30 30 ARG HB3 H 1.875 0.030 1 252 30 30 ARG CG C 27.281 0.300 1 253 30 30 ARG HG2 H 1.744 0.030 2 254 30 30 ARG HG3 H 1.623 0.030 2 255 30 30 ARG CD C 43.507 0.300 1 256 30 30 ARG HD2 H 3.194 0.030 1 257 30 30 ARG HD3 H 3.194 0.030 1 258 30 30 ARG C C 178.562 0.300 1 259 31 31 HIS N N 119.736 0.300 1 260 31 31 HIS H H 7.693 0.030 1 261 31 31 HIS CA C 59.093 0.300 1 262 31 31 HIS HA H 4.219 0.030 1 263 31 31 HIS CB C 28.571 0.300 1 264 31 31 HIS HB2 H 2.945 0.030 2 265 31 31 HIS HB3 H 3.134 0.030 2 266 31 31 HIS CD2 C 127.413 0.300 1 267 31 31 HIS HD2 H 6.958 0.030 1 268 31 31 HIS CE1 C 139.617 0.300 1 269 31 31 HIS HE1 H 8.061 0.030 1 270 31 31 HIS C C 176.193 0.300 1 271 32 32 ARG N N 115.270 0.300 1 272 32 32 ARG H H 8.284 0.030 1 273 32 32 ARG CA C 59.938 0.300 1 274 32 32 ARG HA H 3.690 0.030 1 275 32 32 ARG CB C 29.938 0.300 1 276 32 32 ARG HB2 H 2.077 0.030 2 277 32 32 ARG HB3 H 1.971 0.030 2 278 32 32 ARG CG C 28.797 0.300 1 279 32 32 ARG HG2 H 2.148 0.030 1 280 32 32 ARG HG3 H 2.148 0.030 1 281 32 32 ARG CD C 43.591 0.300 1 282 32 32 ARG HD2 H 3.461 0.030 2 283 32 32 ARG HD3 H 3.346 0.030 2 284 32 32 ARG C C 177.517 0.300 1 285 33 33 ARG N N 117.230 0.300 1 286 33 33 ARG H H 7.078 0.030 1 287 33 33 ARG CA C 58.344 0.300 1 288 33 33 ARG HA H 4.161 0.030 1 289 33 33 ARG CB C 29.905 0.300 1 290 33 33 ARG HB2 H 1.893 0.030 2 291 33 33 ARG HB3 H 1.790 0.030 2 292 33 33 ARG CG C 27.447 0.300 1 293 33 33 ARG HG2 H 1.820 0.030 2 294 33 33 ARG HG3 H 1.685 0.030 2 295 33 33 ARG CD C 43.445 0.300 1 296 33 33 ARG HD2 H 3.199 0.030 1 297 33 33 ARG HD3 H 3.199 0.030 1 298 33 33 ARG C C 178.467 0.300 1 299 34 34 ILE N N 116.308 0.300 1 300 34 34 ILE H H 7.826 0.030 1 301 34 34 ILE CA C 63.103 0.300 1 302 34 34 ILE HA H 3.988 0.030 1 303 34 34 ILE CB C 37.701 0.300 1 304 34 34 ILE HB H 1.675 0.030 1 305 34 34 ILE CG1 C 26.691 0.300 1 306 34 34 ILE HG12 H 0.937 0.030 2 307 34 34 ILE HG13 H 0.754 0.030 2 308 34 34 ILE CG2 C 16.490 0.300 1 309 34 34 ILE HG2 H 0.576 0.030 1 310 34 34 ILE CD1 C 14.341 0.300 1 311 34 34 ILE HD1 H 0.713 0.030 1 312 34 34 ILE C C 177.295 0.300 1 313 35 35 HIS N N 117.638 0.300 1 314 35 35 HIS H H 7.284 0.030 1 315 35 35 HIS CA C 55.201 0.300 1 316 35 35 HIS HA H 4.868 0.030 1 317 35 35 HIS CB C 28.625 0.300 1 318 35 35 HIS HB2 H 3.372 0.030 2 319 35 35 HIS HB3 H 3.193 0.030 2 320 35 35 HIS CD2 C 127.882 0.300 1 321 35 35 HIS HD2 H 6.747 0.030 1 322 35 35 HIS CE1 C 140.104 0.300 1 323 35 35 HIS HE1 H 8.069 0.030 1 324 35 35 HIS C C 175.837 0.300 1 325 36 36 THR N N 111.405 0.300 1 326 36 36 THR H H 7.803 0.030 1 327 36 36 THR CA C 62.492 0.300 1 328 36 36 THR HA H 4.364 0.030 1 329 36 36 THR CB C 69.845 0.300 1 330 36 36 THR HB H 4.345 0.030 1 331 36 36 THR CG2 C 21.556 0.300 1 332 36 36 THR HG2 H 1.248 0.030 1 333 36 36 THR C C 175.507 0.300 1 334 37 37 GLY N N 110.690 0.300 1 335 37 37 GLY H H 8.232 0.030 1 336 37 37 GLY CA C 45.429 0.300 1 337 37 37 GLY HA2 H 3.946 0.030 2 338 37 37 GLY HA3 H 4.046 0.030 2 339 37 37 GLY C C 174.088 0.300 1 340 38 38 GLU N N 120.568 0.300 1 341 38 38 GLU H H 8.064 0.030 1 342 38 38 GLU CA C 56.499 0.300 1 343 38 38 GLU HA H 4.241 0.030 1 344 38 38 GLU CB C 30.568 0.300 1 345 38 38 GLU HB2 H 2.009 0.030 2 346 38 38 GLU HB3 H 1.898 0.030 2 347 38 38 GLU CG C 36.269 0.300 1 348 38 38 GLU HG2 H 2.224 0.030 2 349 38 38 GLU HG3 H 2.265 0.030 2 350 38 38 GLU C C 176.155 0.300 1 351 39 39 LYS N N 123.848 0.300 1 352 39 39 LYS H H 8.425 0.030 1 353 39 39 LYS CA C 54.028 0.300 1 354 39 39 LYS HA H 4.608 0.030 1 355 39 39 LYS CB C 32.467 0.300 1 356 39 39 LYS HB2 H 1.828 0.030 2 357 39 39 LYS HB3 H 1.740 0.030 2 358 39 39 LYS CG C 24.566 0.300 1 359 39 39 LYS HG2 H 1.482 0.030 1 360 39 39 LYS HG3 H 1.482 0.030 1 361 39 39 LYS CD C 29.157 0.300 1 362 39 39 LYS HD2 H 1.699 0.030 1 363 39 39 LYS HD3 H 1.699 0.030 1 364 39 39 LYS CE C 42.111 0.300 1 365 39 39 LYS HE2 H 2.935 0.030 1 366 39 39 LYS HE3 H 2.935 0.030 1 367 39 39 LYS C C 174.487 0.300 1 368 40 40 PRO CA C 63.260 0.300 1 369 40 40 PRO HA H 4.467 0.030 1 370 40 40 PRO CB C 32.180 0.300 1 371 40 40 PRO HB2 H 2.307 0.030 2 372 40 40 PRO HB3 H 1.957 0.030 2 373 40 40 PRO CG C 27.273 0.300 1 374 40 40 PRO HG2 H 2.041 0.030 2 375 40 40 PRO HG3 H 1.995 0.030 2 376 40 40 PRO CD C 50.660 0.300 1 377 40 40 PRO HD2 H 3.819 0.030 2 378 40 40 PRO HD3 H 3.656 0.030 2 379 42 42 GLY CA C 44.682 0.300 1 380 42 42 GLY HA2 H 4.145 0.030 1 381 42 42 GLY HA3 H 4.145 0.030 1 382 43 43 PRO CA C 63.122 0.300 1 383 43 43 PRO HA H 4.464 0.030 1 384 43 43 PRO CB C 32.215 0.300 1 385 43 43 PRO HB2 H 2.308 0.030 2 386 43 43 PRO HB3 H 1.970 0.030 2 387 43 43 PRO CG C 27.251 0.300 1 388 43 43 PRO HG2 H 2.022 0.030 1 389 43 43 PRO HG3 H 2.022 0.030 1 390 43 43 PRO CD C 49.804 0.300 1 391 43 43 PRO HD2 H 3.640 0.030 1 392 43 43 PRO HD3 H 3.640 0.030 1 stop_ save_