data_10200 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Solution structure of the C2H2 type zinc finger (region 342-372) of human Zinc finger protein 473 ; _BMRB_accession_number 10200 _BMRB_flat_file_name bmr10200.str _Entry_type original _Submission_date 2008-03-05 _Accession_date 2008-03-05 _Entry_origination author _NMR_STAR_version 2.1.1 _Experimental_method NMR _Details . loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Tomizawa T. . . 2 Tochio N. . . 3 Abe H. . . 4 Saito K. . . 5 Li H. . . 6 Sato M. . . 7 Koshiba S. . . 8 Kobayashi N. . . 9 Kigawa T. . . 10 Yokoyama S. . . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 214 "13C chemical shifts" 156 "15N chemical shifts" 32 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2009-03-05 original author . stop_ _Original_release_date 2009-03-05 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 342-372) 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 $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 44 _Mol_residue_sequence ; GSSGSSGHTRKRYECSKCQA TFNLRKHLIQHQKTHAAKSG PSSG ; loop_ _Residue_seq_code _Residue_label 1 GLY 2 SER 3 SER 4 GLY 5 SER 6 SER 7 GLY 8 HIS 9 THR 10 ARG 11 LYS 12 ARG 13 TYR 14 GLU 15 CYS 16 SER 17 LYS 18 CYS 19 GLN 20 ALA 21 THR 22 PHE 23 ASN 24 LEU 25 ARG 26 LYS 27 HIS 28 LEU 29 ILE 30 GLN 31 HIS 32 GLN 33 LYS 34 THR 35 HIS 36 ALA 37 ALA 38 LYS 39 SER 40 GLY 41 PRO 42 SER 43 SER 44 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 2EMB "Solution Structure Of The C2h2 Type Zinc Finger (Region 342- 372) Of Human Zinc Finger Protein 473" 100.00 44 100.00 100.00 6.38e-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 P070115-24 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $entity_1 1.0 mM '[U-13C; U-15N]' d-Tris-HCl 20 mM . NaCl 100 mM . ZnCl2 0.05 mM . IDA 1 mM . d-DTT 1 mM . NaN3 0.02 % . H2O 90 % . D2O 10 % . stop_ save_ ############################ # Computer software used # ############################ save_software_1 _Saveframe_category software _Name xwinnmr _Version 3.5 loop_ _Vendor _Address _Electronic_address Bruker . . stop_ loop_ _Task collection stop_ _Details . save_ save_software_2 _Saveframe_category software _Name NMRPipe _Version 20030801 loop_ _Vendor _Address _Electronic_address 'Delaglio, F.' . . stop_ loop_ _Task processing stop_ _Details . save_ save_software_3 _Saveframe_category software _Name NMRView _Version 5.0.4 loop_ _Vendor _Address _Electronic_address 'Johnson, B.A.' . . stop_ loop_ _Task 'data analysis' stop_ _Details . save_ save_software_4 _Saveframe_category software _Name Kujira _Version 0.9820 loop_ _Vendor _Address _Electronic_address 'Kobayashi, N.' . . stop_ loop_ _Task 'data analysis' stop_ _Details . save_ save_software_5 _Saveframe_category software _Name CYANA _Version 2.0.17 loop_ _Vendor _Address _Electronic_address 'Guntert, P.' . . stop_ loop_ _Task refinement 'structure solution' stop_ _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model AVANCE _Field_strength 800 _Details . save_ ############################# # NMR applied experiments # ############################# save_3D_13C-separated_NOESY_1 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 13C-separated NOESY' _Sample_label $sample_1 save_ save_3D_15N-separated_NOESY_2 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 15N-separated NOESY' _Sample_label $sample_1 save_ ####################### # Sample conditions # ####################### save_condition_1 _Saveframe_category sample_conditions _Details . loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units 'ionic strength' 120 0.1 mM pH 7.0 0.05 pH pressure 1 0.001 atm temperature 298 0.1 K stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_reference_1 _Saveframe_category chemical_shift_reference _Details ; Chemical shift reference of 1H was based on the proton of water (4.784ppm at 298K) and then those of 15N and 13C were calculated based on their gyromagnetic ratios. ; loop_ _Mol_common_name _Atom_type _Atom_isotope_number _Atom_group _Chem_shift_units _Chem_shift_value _Reference_method _Reference_type _External_reference_sample_geometry _External_reference_location _External_reference_axis _Indirect_shift_ratio DSS C 13 'methyl protons' ppm 0.0 . indirect . . . 0.251449530 DSS H 1 'methyl protons' ppm 0.0 . indirect . . . 1.0 DSS N 15 'methyl protons' ppm 0.0 . indirect . . . 0.101329118 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_chemical_shift_1 _Saveframe_category assigned_chemical_shifts _Details . loop_ _Experiment_label '3D 13C-separated NOESY' '3D 15N-separated NOESY' stop_ loop_ _Sample_label $sample_1 stop_ _Sample_conditions_label $condition_1 _Chem_shift_reference_set_label $reference_1 _Mol_system_component_name zf-C2H2 _Text_data_format . _Text_data . loop_ _Atom_shift_assign_ID _Residue_author_seq_code _Residue_seq_code _Residue_label _Atom_name _Atom_type _Chem_shift_value _Chem_shift_value_error _Chem_shift_ambiguity_code 1 8 8 HIS CA C 56.286 0.300 1 2 8 8 HIS HA H 4.631 0.030 1 3 8 8 HIS CB C 30.954 0.300 1 4 8 8 HIS HB3 H 3.075 0.030 2 5 8 8 HIS CD2 C 119.683 0.300 1 6 8 8 HIS HD2 H 6.932 0.030 1 7 8 8 HIS CE1 C 138.433 0.300 1 8 8 8 HIS HE1 H 7.775 0.030 1 9 8 8 HIS HB2 H 3.004 0.030 2 10 9 9 THR CA C 61.910 0.300 1 11 9 9 THR HA H 4.231 0.030 1 12 9 9 THR CB C 69.722 0.300 1 13 9 9 THR HB H 4.100 0.030 1 14 9 9 THR CG2 C 21.541 0.300 1 15 9 9 THR HG2 H 1.090 0.030 1 16 9 9 THR C C 174.222 0.300 1 17 10 10 ARG N N 124.169 0.300 1 18 10 10 ARG H H 8.328 0.030 1 19 10 10 ARG CA C 56.013 0.300 1 20 10 10 ARG HA H 4.251 0.030 1 21 10 10 ARG CB C 30.838 0.300 1 22 10 10 ARG HB3 H 1.764 0.030 2 23 10 10 ARG CG C 27.047 0.300 1 24 10 10 ARG HG3 H 1.549 0.030 1 25 10 10 ARG CD C 43.307 0.300 1 26 10 10 ARG HD3 H 3.118 0.030 1 27 10 10 ARG C C 175.968 0.300 1 28 10 10 ARG HB2 H 1.666 0.030 2 29 10 10 ARG HD2 H 3.118 0.030 1 30 10 10 ARG HG2 H 1.549 0.030 1 31 11 11 LYS N N 123.653 0.300 1 32 11 11 LYS H H 8.339 0.030 1 33 11 11 LYS CA C 56.035 0.300 1 34 11 11 LYS HA H 4.174 0.030 1 35 11 11 LYS CB C 32.967 0.300 1 36 11 11 LYS HB3 H 1.572 0.030 1 37 11 11 LYS CG C 24.934 0.300 1 38 11 11 LYS HG3 H 1.233 0.030 1 39 11 11 LYS CD C 28.950 0.300 1 40 11 11 LYS HD3 H 1.510 0.030 1 41 11 11 LYS CE C 42.117 0.300 1 42 11 11 LYS C C 175.763 0.300 1 43 11 11 LYS HB2 H 1.572 0.030 1 44 11 11 LYS HD2 H 1.510 0.030 1 45 11 11 LYS HE2 H 2.838 0.030 2 46 11 11 LYS HG2 H 1.233 0.030 1 47 12 12 ARG N N 120.724 0.300 1 48 12 12 ARG H H 8.016 0.030 1 49 12 12 ARG CA C 56.275 0.300 1 50 12 12 ARG HA H 4.204 0.030 1 51 12 12 ARG CB C 31.979 0.300 1 52 12 12 ARG HB3 H 1.532 0.030 1 53 12 12 ARG CG C 27.096 0.300 1 54 12 12 ARG HG3 H 1.331 0.030 2 55 12 12 ARG CD C 43.333 0.300 1 56 12 12 ARG HD3 H 3.006 0.030 1 57 12 12 ARG C C 175.087 0.300 1 58 12 12 ARG HB2 H 1.532 0.030 1 59 12 12 ARG HD2 H 3.006 0.030 1 60 12 12 ARG HG2 H 1.251 0.030 2 61 13 13 TYR N N 119.605 0.300 1 62 13 13 TYR H H 8.559 0.030 1 63 13 13 TYR CA C 57.661 0.300 1 64 13 13 TYR HA H 4.601 0.030 1 65 13 13 TYR CB C 39.557 0.300 1 66 13 13 TYR HB3 H 2.728 0.030 2 67 13 13 TYR CD1 C 133.097 0.300 1 68 13 13 TYR HD1 H 6.936 0.030 1 69 13 13 TYR CD2 C 133.097 0.300 1 70 13 13 TYR HD2 H 6.936 0.030 1 71 13 13 TYR CE1 C 118.154 0.300 1 72 13 13 TYR HE1 H 6.784 0.030 1 73 13 13 TYR CE2 C 118.154 0.300 1 74 13 13 TYR HE2 H 6.784 0.030 1 75 13 13 TYR C C 174.706 0.300 1 76 13 13 TYR HB2 H 2.986 0.030 2 77 14 14 GLU N N 123.907 0.300 1 78 14 14 GLU H H 8.787 0.030 1 79 14 14 GLU CA C 54.868 0.300 1 80 14 14 GLU HA H 4.858 0.030 1 81 14 14 GLU CB C 32.614 0.300 1 82 14 14 GLU HB3 H 1.796 0.030 2 83 14 14 GLU CG C 36.185 0.300 1 84 14 14 GLU HG3 H 1.986 0.030 1 85 14 14 GLU C C 175.009 0.300 1 86 14 14 GLU HB2 H 1.951 0.030 2 87 14 14 GLU HG2 H 1.986 0.030 1 88 15 15 CYS N N 126.801 0.300 1 89 15 15 CYS H H 8.846 0.030 1 90 15 15 CYS CA C 59.805 0.300 1 91 15 15 CYS HA H 4.477 0.030 1 92 15 15 CYS CB C 29.783 0.300 1 93 15 15 CYS HB3 H 3.345 0.030 2 94 15 15 CYS C C 176.142 0.300 1 95 15 15 CYS HB2 H 2.735 0.030 2 96 16 16 SER CA C 60.236 0.300 1 97 16 16 SER HA H 4.429 0.030 1 98 16 16 SER CB C 63.380 0.300 1 99 16 16 SER HB3 H 3.972 0.030 2 100 16 16 SER C C 174.975 0.300 1 101 16 16 SER HB2 H 4.025 0.030 2 102 17 17 LYS N N 123.704 0.300 1 103 17 17 LYS H H 9.085 0.030 1 104 17 17 LYS CA C 56.964 0.300 1 105 17 17 LYS HA H 4.309 0.030 1 106 17 17 LYS CB C 33.110 0.300 1 107 17 17 LYS HB3 H 0.896 0.030 2 108 17 17 LYS CG C 25.032 0.300 1 109 17 17 LYS HG3 H 1.145 0.030 2 110 17 17 LYS CD C 28.549 0.300 1 111 17 17 LYS HD3 H 1.299 0.030 1 112 17 17 LYS CE C 42.174 0.300 1 113 17 17 LYS HE3 H 2.837 0.030 1 114 17 17 LYS C C 176.454 0.300 1 115 17 17 LYS HB2 H 1.223 0.030 2 116 17 17 LYS HD2 H 1.299 0.030 1 117 17 17 LYS HE2 H 2.837 0.030 1 118 17 17 LYS HG2 H 1.065 0.030 2 119 18 18 CYS N N 117.611 0.300 1 120 18 18 CYS H H 7.842 0.030 1 121 18 18 CYS CA C 58.533 0.300 1 122 18 18 CYS HA H 4.959 0.030 1 123 18 18 CYS CB C 31.098 0.300 1 124 18 18 CYS HB3 H 2.932 0.030 2 125 18 18 CYS C C 174.286 0.300 1 126 18 18 CYS HB2 H 3.351 0.030 2 127 19 19 GLN N N 115.380 0.300 1 128 19 19 GLN H H 8.099 0.030 1 129 19 19 GLN CA C 58.073 0.300 1 130 19 19 GLN HA H 4.196 0.030 1 131 19 19 GLN CB C 27.004 0.300 1 132 19 19 GLN HB3 H 2.236 0.030 1 133 19 19 GLN CG C 34.992 0.300 1 134 19 19 GLN HG3 H 2.270 0.030 1 135 19 19 GLN NE2 N 112.709 0.300 1 136 19 19 GLN HE21 H 6.560 0.030 2 137 19 19 GLN HE22 H 7.491 0.030 2 138 19 19 GLN C C 175.057 0.300 1 139 19 19 GLN HB2 H 2.236 0.030 1 140 19 19 GLN HG2 H 2.270 0.030 1 141 20 20 ALA N N 125.831 0.300 1 142 20 20 ALA H H 8.504 0.030 1 143 20 20 ALA CA C 53.802 0.300 1 144 20 20 ALA HA H 4.022 0.030 1 145 20 20 ALA CB C 19.769 0.300 1 146 20 20 ALA HB H 0.904 0.030 1 147 20 20 ALA C C 176.208 0.300 1 148 21 21 THR N N 110.430 0.300 1 149 21 21 THR H H 7.487 0.030 1 150 21 21 THR CA C 59.643 0.300 1 151 21 21 THR HA H 5.057 0.030 1 152 21 21 THR CB C 71.992 0.300 1 153 21 21 THR HB H 3.796 0.030 1 154 21 21 THR CG2 C 21.670 0.300 1 155 21 21 THR HG2 H 1.045 0.030 1 156 21 21 THR C C 172.921 0.300 1 157 22 22 PHE N N 117.143 0.300 1 158 22 22 PHE H H 8.666 0.030 1 159 22 22 PHE CA C 57.117 0.300 1 160 22 22 PHE HA H 4.827 0.030 1 161 22 22 PHE CB C 44.378 0.300 1 162 22 22 PHE HB3 H 3.556 0.030 2 163 22 22 PHE CD1 C 132.354 0.300 1 164 22 22 PHE HD1 H 7.135 0.030 1 165 22 22 PHE CD2 C 132.354 0.300 1 166 22 22 PHE HD2 H 7.135 0.030 1 167 22 22 PHE CE1 C 130.705 0.300 1 168 22 22 PHE HE1 H 6.798 0.030 1 169 22 22 PHE CE2 C 130.705 0.300 1 170 22 22 PHE HE2 H 6.798 0.030 1 171 22 22 PHE CZ C 129.518 0.300 1 172 22 22 PHE HZ H 6.293 0.030 1 173 22 22 PHE C C 174.912 0.300 1 174 22 22 PHE HB2 H 2.532 0.030 2 175 23 23 ASN CA C 54.423 0.300 1 176 23 23 ASN HA H 5.038 0.030 1 177 23 23 ASN CB C 39.624 0.300 1 178 23 23 ASN HB3 H 2.917 0.030 1 179 23 23 ASN ND2 N 113.236 0.300 1 180 23 23 ASN HD21 H 7.053 0.030 2 181 23 23 ASN HD22 H 7.707 0.030 2 182 23 23 ASN C C 174.719 0.300 1 183 23 23 ASN HB2 H 2.917 0.030 1 184 24 24 LEU N N 116.814 0.300 1 185 24 24 LEU H H 7.520 0.030 1 186 24 24 LEU CA C 53.161 0.300 1 187 24 24 LEU HA H 4.774 0.030 1 188 24 24 LEU CB C 44.687 0.300 1 189 24 24 LEU HB3 H 1.115 0.030 2 190 24 24 LEU CG C 26.946 0.300 1 191 24 24 LEU HG H 1.522 0.030 1 192 24 24 LEU CD1 C 25.193 0.300 2 193 24 24 LEU HD1 H 0.709 0.030 1 194 24 24 LEU CD2 C 23.389 0.300 2 195 24 24 LEU HD2 H 0.836 0.030 1 196 24 24 LEU C C 177.051 0.300 1 197 24 24 LEU HB2 H 1.284 0.030 2 198 25 25 ARG N N 127.581 0.300 1 199 25 25 ARG H H 8.517 0.030 1 200 25 25 ARG CA C 59.593 0.300 1 201 25 25 ARG HA H 2.822 0.030 1 202 25 25 ARG CB C 29.135 0.300 1 203 25 25 ARG HB3 H 1.045 0.030 2 204 25 25 ARG CG C 27.668 0.300 1 205 25 25 ARG HG3 H 1.114 0.030 2 206 25 25 ARG CD C 43.114 0.300 1 207 25 25 ARG HD3 H 3.012 0.030 1 208 25 25 ARG C C 178.315 0.300 1 209 25 25 ARG HB2 H 1.426 0.030 2 210 25 25 ARG HD2 H 3.012 0.030 1 211 25 25 ARG HG2 H 1.264 0.030 2 212 26 26 LYS N N 115.815 0.300 1 213 26 26 LYS H H 8.495 0.030 1 214 26 26 LYS CA C 59.134 0.300 1 215 26 26 LYS HA H 3.842 0.030 1 216 26 26 LYS CB C 31.632 0.300 1 217 26 26 LYS HB3 H 1.482 0.030 2 218 26 26 LYS CG C 24.112 0.300 1 219 26 26 LYS HG3 H 1.030 0.030 2 220 26 26 LYS CD C 29.404 0.300 1 221 26 26 LYS HD3 H 1.508 0.030 1 222 26 26 LYS CE C 41.901 0.300 1 223 26 26 LYS HE3 H 2.768 0.030 1 224 26 26 LYS C C 178.251 0.300 1 225 26 26 LYS HB2 H 1.735 0.030 2 226 26 26 LYS HD2 H 1.508 0.030 1 227 26 26 LYS HE2 H 2.768 0.030 1 228 26 26 LYS HG2 H 1.061 0.030 2 229 27 27 HIS N N 117.633 0.300 1 230 27 27 HIS H H 6.643 0.030 1 231 27 27 HIS CA C 56.893 0.300 1 232 27 27 HIS HA H 4.395 0.030 1 233 27 27 HIS CB C 31.346 0.300 1 234 27 27 HIS HB3 H 3.077 0.030 2 235 27 27 HIS CD2 C 116.323 0.300 1 236 27 27 HIS HD2 H 6.902 0.030 1 237 27 27 HIS CE1 C 139.158 0.300 1 238 27 27 HIS HE1 H 7.812 0.030 1 239 27 27 HIS C C 178.052 0.300 1 240 27 27 HIS HB2 H 3.244 0.030 2 241 28 28 LEU N N 122.685 0.300 1 242 28 28 LEU H H 6.932 0.030 1 243 28 28 LEU CA C 57.937 0.300 1 244 28 28 LEU HA H 3.236 0.030 1 245 28 28 LEU CB C 40.257 0.300 1 246 28 28 LEU HB3 H 1.170 0.030 2 247 28 28 LEU CG C 27.469 0.300 1 248 28 28 LEU HG H 1.457 0.030 1 249 28 28 LEU CD1 C 26.339 0.300 2 250 28 28 LEU HD1 H 0.970 0.030 1 251 28 28 LEU CD2 C 22.628 0.300 2 252 28 28 LEU HD2 H 0.962 0.030 1 253 28 28 LEU C C 177.710 0.300 1 254 28 28 LEU HB2 H 1.984 0.030 2 255 29 29 ILE N N 119.595 0.300 1 256 29 29 ILE H H 8.045 0.030 1 257 29 29 ILE CA C 64.337 0.300 1 258 29 29 ILE HA H 3.654 0.030 1 259 29 29 ILE CB C 37.272 0.300 1 260 29 29 ILE HB H 1.735 0.030 1 261 29 29 ILE CG1 C 28.480 0.300 1 262 29 29 ILE HG13 H 1.411 0.030 2 263 29 29 ILE CG2 C 17.061 0.300 1 264 29 29 ILE HG2 H 0.813 0.030 1 265 29 29 ILE CD1 C 11.885 0.300 1 266 29 29 ILE HD1 H 0.664 0.030 1 267 29 29 ILE C C 179.315 0.300 1 268 29 29 ILE HG12 H 1.160 0.030 2 269 30 30 GLN N N 118.156 0.300 1 270 30 30 GLN H H 7.507 0.030 1 271 30 30 GLN CA C 58.708 0.300 1 272 30 30 GLN HA H 3.924 0.030 1 273 30 30 GLN CB C 28.351 0.300 1 274 30 30 GLN HB3 H 1.977 0.030 2 275 30 30 GLN CG C 33.423 0.300 1 276 30 30 GLN HG3 H 2.394 0.030 1 277 30 30 GLN NE2 N 112.015 0.300 1 278 30 30 GLN HE21 H 6.890 0.030 2 279 30 30 GLN HE22 H 7.450 0.030 2 280 30 30 GLN C C 178.602 0.300 1 281 30 30 GLN HB2 H 2.044 0.030 2 282 30 30 GLN HG2 H 2.394 0.030 1 283 31 31 HIS N N 118.789 0.300 1 284 31 31 HIS H H 7.691 0.030 1 285 31 31 HIS CA C 59.054 0.300 1 286 31 31 HIS HA H 4.208 0.030 1 287 31 31 HIS CB C 28.726 0.300 1 288 31 31 HIS HB3 H 2.880 0.030 2 289 31 31 HIS CD2 C 126.957 0.300 1 290 31 31 HIS HD2 H 6.968 0.030 1 291 31 31 HIS CE1 C 139.795 0.300 1 292 31 31 HIS HE1 H 7.845 0.030 1 293 31 31 HIS C C 177.945 0.300 1 294 31 31 HIS HB2 H 3.113 0.030 2 295 32 32 GLN N N 119.822 0.300 1 296 32 32 GLN H H 8.680 0.030 1 297 32 32 GLN CA C 59.589 0.300 1 298 32 32 GLN HA H 3.710 0.030 1 299 32 32 GLN CB C 27.916 0.300 1 300 32 32 GLN HB3 H 2.127 0.030 2 301 32 32 GLN CG C 35.027 0.300 1 302 32 32 GLN HG3 H 2.755 0.030 1 303 32 32 GLN NE2 N 111.696 0.300 1 304 32 32 GLN HE21 H 7.398 0.030 2 305 32 32 GLN HE22 H 6.983 0.030 2 306 32 32 GLN C C 178.170 0.300 1 307 32 32 GLN HB2 H 2.304 0.030 2 308 32 32 GLN HG2 H 2.755 0.030 1 309 33 33 LYS N N 118.224 0.300 1 310 33 33 LYS H H 7.248 0.030 1 311 33 33 LYS CA C 58.912 0.300 1 312 33 33 LYS HA H 4.050 0.030 1 313 33 33 LYS CB C 32.160 0.300 1 314 33 33 LYS HB3 H 1.819 0.030 2 315 33 33 LYS CG C 25.282 0.300 1 316 33 33 LYS HG3 H 1.599 0.030 2 317 33 33 LYS CD C 29.211 0.300 1 318 33 33 LYS HD3 H 1.631 0.030 1 319 33 33 LYS CE C 42.199 0.300 1 320 33 33 LYS C C 178.506 0.300 1 321 33 33 LYS HB2 H 1.865 0.030 2 322 33 33 LYS HD2 H 1.631 0.030 1 323 33 33 LYS HE2 H 2.881 0.030 2 324 33 33 LYS HG2 H 1.426 0.030 2 325 34 34 THR N N 109.843 0.300 1 326 34 34 THR H H 7.690 0.030 1 327 34 34 THR CA C 63.891 0.300 1 328 34 34 THR HA H 4.047 0.030 1 329 34 34 THR CB C 69.205 0.300 1 330 34 34 THR HB H 3.940 0.030 1 331 34 34 THR CG2 C 20.813 0.300 1 332 34 34 THR HG2 H 1.073 0.030 1 333 34 34 THR C C 175.352 0.300 1 334 35 35 HIS N N 117.905 0.300 1 335 35 35 HIS H H 6.998 0.030 1 336 35 35 HIS CA C 55.067 0.300 1 337 35 35 HIS HA H 4.763 0.030 1 338 35 35 HIS CB C 28.672 0.300 1 339 35 35 HIS HB3 H 3.054 0.030 2 340 35 35 HIS CD2 C 126.957 0.300 1 341 35 35 HIS HD2 H 6.524 0.030 1 342 35 35 HIS CE1 C 140.127 0.300 1 343 35 35 HIS HE1 H 7.938 0.030 1 344 35 35 HIS C C 174.592 0.300 1 345 35 35 HIS HB2 H 3.191 0.030 2 346 36 36 ALA N N 123.690 0.300 1 347 36 36 ALA H H 7.542 0.030 1 348 36 36 ALA CA C 52.507 0.300 1 349 36 36 ALA HA H 4.247 0.030 1 350 36 36 ALA CB C 19.368 0.300 1 351 36 36 ALA HB H 1.371 0.030 1 352 36 36 ALA C C 177.263 0.300 1 353 37 37 ALA N N 123.646 0.300 1 354 37 37 ALA H H 8.194 0.030 1 355 37 37 ALA CA C 52.517 0.300 1 356 37 37 ALA HA H 4.244 0.030 1 357 37 37 ALA CB C 19.181 0.300 1 358 37 37 ALA HB H 1.345 0.030 1 359 37 37 ALA C C 177.787 0.300 1 360 38 38 LYS N N 120.872 0.300 1 361 38 38 LYS H H 8.304 0.030 1 362 38 38 LYS CA C 56.161 0.300 1 363 38 38 LYS HA H 4.304 0.030 1 364 38 38 LYS CB C 33.014 0.300 1 365 38 38 LYS HB3 H 1.722 0.030 2 366 38 38 LYS CG C 24.660 0.300 1 367 38 38 LYS HG3 H 1.411 0.030 1 368 38 38 LYS CD C 29.016 0.300 1 369 38 38 LYS HD3 H 1.632 0.030 1 370 38 38 LYS CE C 42.140 0.300 1 371 38 38 LYS HE3 H 2.948 0.030 1 372 38 38 LYS C C 176.530 0.300 1 373 38 38 LYS HB2 H 1.817 0.030 2 374 38 38 LYS HD2 H 1.632 0.030 1 375 38 38 LYS HE2 H 2.948 0.030 1 376 38 38 LYS HG2 H 1.411 0.030 1 377 40 40 GLY CA C 44.610 0.300 1 378 40 40 GLY HA3 H 4.091 0.030 1 379 40 40 GLY HA2 H 4.091 0.030 1 380 41 41 PRO CA C 63.260 0.300 1 381 41 41 PRO HA H 4.424 0.030 1 382 41 41 PRO CB C 32.165 0.300 1 383 41 41 PRO HB3 H 2.243 0.030 2 384 41 41 PRO CG C 27.097 0.300 1 385 41 41 PRO HG3 H 1.968 0.030 1 386 41 41 PRO CD C 49.750 0.300 1 387 41 41 PRO HD3 H 3.578 0.030 1 388 41 41 PRO HB2 H 1.925 0.030 2 389 41 41 PRO HD2 H 3.578 0.030 1 390 41 41 PRO HG2 H 1.968 0.030 1 391 43 43 SER CA C 58.325 0.300 1 392 43 43 SER HA H 4.444 0.030 1 393 43 43 SER CB C 64.067 0.300 1 394 43 43 SER HB3 H 3.814 0.030 2 395 43 43 SER C C 173.889 0.300 1 396 43 43 SER HB2 H 3.857 0.030 2 397 44 44 GLY N N 116.837 0.300 1 398 44 44 GLY H H 8.022 0.030 1 399 44 44 GLY CA C 46.190 0.300 1 400 44 44 GLY HA3 H 3.747 0.030 2 401 44 44 GLY C C 178.974 0.300 1 402 44 44 GLY HA2 H 3.693 0.030 2 stop_ save_