data_10201 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Solution structure of the C2H2 type zinc finger (region 641-673) of human Zinc finger protein 473 ; _BMRB_accession_number 10201 _BMRB_flat_file_name bmr10201.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" 219 "13C chemical shifts" 160 "15N chemical shifts" 35 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 641-673) 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 46 _Mol_residue_sequence ; GSSGSSGTKEHPFKCNECGK TFSHSAHLSKHQLIHAGENP SGPSSG ; loop_ _Residue_seq_code _Residue_label 1 GLY 2 SER 3 SER 4 GLY 5 SER 6 SER 7 GLY 8 THR 9 LYS 10 GLU 11 HIS 12 PRO 13 PHE 14 LYS 15 CYS 16 ASN 17 GLU 18 CYS 19 GLY 20 LYS 21 THR 22 PHE 23 SER 24 HIS 25 SER 26 ALA 27 HIS 28 LEU 29 SER 30 LYS 31 HIS 32 GLN 33 LEU 34 ILE 35 HIS 36 ALA 37 GLY 38 GLU 39 ASN 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 2EMC "Solution Structure Of The C2h2 Type Zinc Finger (Region 641- 673) Of Human Zinc Finger Protein 473" 100.00 46 100.00 100.00 1.92e-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 P070115-30 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 TOPSPIN _Version 1.3 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 II' _Field_strength 900 _Details . save_ ############################# # NMR applied experiments # ############################# save_3D_13C-separated_NOESY_1 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 13C-separated NOESY' _Sample_label $sample_1 save_ save_3D_15N-separated_NOESY_2 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 15N-separated NOESY' _Sample_label $sample_1 save_ ####################### # Sample conditions # ####################### save_condition_1 _Saveframe_category sample_conditions _Details . loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units 'ionic strength' 120 0.1 mM pH 7.0 0.05 pH pressure 1 0.001 atm temperature 296 0.1 K stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_reference_1 _Saveframe_category chemical_shift_reference _Details ; Chemical shift reference of 1H was based on the proton of water (4.784ppm at 298K) and then those of 15N and 13C were calculated based on their gyromagnetic ratios. ; loop_ _Mol_common_name _Atom_type _Atom_isotope_number _Atom_group _Chem_shift_units _Chem_shift_value _Reference_method _Reference_type _External_reference_sample_geometry _External_reference_location _External_reference_axis _Indirect_shift_ratio DSS C 13 'methyl protons' ppm 0.0 . indirect . . . 0.251449530 DSS H 1 'methyl protons' ppm 0.0 . indirect . . . 1.0 DSS N 15 'methyl protons' ppm 0.0 . indirect . . . 0.101329118 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_chemical_shift_1 _Saveframe_category assigned_chemical_shifts _Details . loop_ _Experiment_label '3D 13C-separated NOESY' '3D 15N-separated NOESY' stop_ loop_ _Sample_label $sample_1 stop_ _Sample_conditions_label $condition_1 _Chem_shift_reference_set_label $reference_1 _Mol_system_component_name zf-C2H2 _Text_data_format . _Text_data . loop_ _Atom_shift_assign_ID _Residue_author_seq_code _Residue_seq_code _Residue_label _Atom_name _Atom_type _Chem_shift_value _Chem_shift_value_error _Chem_shift_ambiguity_code 1 1 1 GLY CA C 43.752 0.300 1 2 1 1 GLY HA2 H 3.869 0.030 2 3 7 7 GLY CA C 45.395 0.300 1 4 7 7 GLY HA3 H 4.028 0.030 1 5 7 7 GLY C C 174.345 0.300 1 6 7 7 GLY HA2 H 4.028 0.030 1 7 8 8 THR N N 114.076 0.300 1 8 8 8 THR H H 8.041 0.030 1 9 8 8 THR CA C 61.746 0.300 1 10 8 8 THR HA H 4.321 0.030 1 11 8 8 THR CB C 69.981 0.300 1 12 8 8 THR HB H 4.202 0.030 1 13 8 8 THR CG2 C 21.630 0.300 1 14 8 8 THR HG2 H 1.163 0.030 1 15 8 8 THR C C 174.522 0.300 1 16 9 9 LYS N N 123.558 0.300 1 17 9 9 LYS H H 8.347 0.030 1 18 9 9 LYS CA C 56.456 0.300 1 19 9 9 LYS HA H 4.243 0.030 1 20 9 9 LYS CB C 32.910 0.300 1 21 9 9 LYS HB3 H 1.750 0.030 2 22 9 9 LYS CG C 24.664 0.300 1 23 9 9 LYS HG3 H 1.364 0.030 1 24 9 9 LYS CD C 29.035 0.300 1 25 9 9 LYS HD3 H 1.652 0.030 1 26 9 9 LYS CE C 42.117 0.300 1 27 9 9 LYS C C 176.303 0.300 1 28 9 9 LYS HB2 H 1.699 0.030 2 29 9 9 LYS HD2 H 1.652 0.030 1 30 9 9 LYS HE2 H 2.931 0.030 2 31 9 9 LYS HG2 H 1.364 0.030 1 32 10 10 GLU N N 121.405 0.300 1 33 10 10 GLU H H 8.292 0.030 1 34 10 10 GLU CA C 56.554 0.300 1 35 10 10 GLU HA H 4.132 0.030 1 36 10 10 GLU CB C 30.305 0.300 1 37 10 10 GLU HB3 H 1.890 0.030 2 38 10 10 GLU CG C 36.239 0.300 1 39 10 10 GLU HG3 H 2.196 0.030 2 40 10 10 GLU C C 176.024 0.300 1 41 10 10 GLU HB2 H 1.819 0.030 2 42 10 10 GLU HG2 H 2.129 0.030 2 43 11 11 HIS N N 121.270 0.300 1 44 11 11 HIS H H 8.258 0.030 1 45 11 11 HIS CA C 53.734 0.300 1 46 11 11 HIS HA H 4.831 0.030 1 47 11 11 HIS CB C 31.178 0.300 1 48 11 11 HIS HB3 H 2.974 0.030 2 49 11 11 HIS CD2 C 119.177 0.300 1 50 11 11 HIS HD2 H 6.885 0.030 1 51 11 11 HIS CE1 C 138.338 0.300 1 52 11 11 HIS HE1 H 7.787 0.030 1 53 11 11 HIS C C 174.107 0.300 1 54 11 11 HIS HB2 H 2.860 0.030 2 55 12 12 PRO CA C 63.651 0.300 1 56 12 12 PRO HA H 4.301 0.030 1 57 12 12 PRO CB C 32.098 0.300 1 58 12 12 PRO HB3 H 2.022 0.030 2 59 12 12 PRO CG C 26.859 0.300 1 60 12 12 PRO HG3 H 1.844 0.030 2 61 12 12 PRO CD C 50.769 0.300 1 62 12 12 PRO HD3 H 3.749 0.030 2 63 12 12 PRO C C 176.381 0.300 1 64 12 12 PRO HB2 H 1.160 0.030 2 65 12 12 PRO HD2 H 3.643 0.030 2 66 12 12 PRO HG2 H 1.656 0.030 2 67 13 13 PHE N N 116.995 0.300 1 68 13 13 PHE H H 7.836 0.030 1 69 13 13 PHE CA C 57.114 0.300 1 70 13 13 PHE HA H 4.804 0.030 1 71 13 13 PHE CB C 39.642 0.300 1 72 13 13 PHE HB3 H 3.019 0.030 1 73 13 13 PHE CD1 C 131.695 0.300 1 74 13 13 PHE HD1 H 7.131 0.030 1 75 13 13 PHE CD2 C 131.695 0.300 1 76 13 13 PHE HD2 H 7.131 0.030 1 77 13 13 PHE CE1 C 131.568 0.300 1 78 13 13 PHE HE1 H 7.365 0.030 1 79 13 13 PHE CE2 C 131.568 0.300 1 80 13 13 PHE HE2 H 7.365 0.030 1 81 13 13 PHE CZ C 130.228 0.300 1 82 13 13 PHE HZ H 7.357 0.030 1 83 13 13 PHE C C 174.042 0.300 1 84 13 13 PHE HB2 H 3.019 0.030 1 85 14 14 LYS N N 124.716 0.300 1 86 14 14 LYS H H 8.671 0.030 1 87 14 14 LYS CA C 55.018 0.300 1 88 14 14 LYS HA H 4.973 0.030 1 89 14 14 LYS CB C 36.127 0.300 1 90 14 14 LYS HB3 H 1.748 0.030 2 91 14 14 LYS CG C 24.362 0.300 1 92 14 14 LYS HG3 H 1.114 0.030 1 93 14 14 LYS CD C 29.623 0.300 1 94 14 14 LYS HD3 H 1.584 0.030 1 95 14 14 LYS CE C 42.047 0.300 1 96 14 14 LYS HE3 H 2.930 0.030 1 97 14 14 LYS C C 174.476 0.300 1 98 14 14 LYS HB2 H 1.567 0.030 2 99 14 14 LYS HD2 H 1.584 0.030 1 100 14 14 LYS HE2 H 2.930 0.030 1 101 14 14 LYS HG2 H 1.114 0.030 1 102 15 15 CYS N N 127.379 0.300 1 103 15 15 CYS H H 9.267 0.030 1 104 15 15 CYS CA C 59.230 0.300 1 105 15 15 CYS HA H 4.592 0.030 1 106 15 15 CYS CB C 29.614 0.300 1 107 15 15 CYS HB3 H 3.420 0.030 2 108 15 15 CYS C C 176.798 0.300 1 109 15 15 CYS HB2 H 2.859 0.030 2 110 16 16 ASN N N 130.287 0.300 1 111 16 16 ASN H H 9.447 0.030 1 112 16 16 ASN CA C 55.588 0.300 1 113 16 16 ASN HA H 4.548 0.030 1 114 16 16 ASN CB C 38.414 0.300 1 115 16 16 ASN HB3 H 2.893 0.030 1 116 16 16 ASN ND2 N 113.396 0.300 1 117 16 16 ASN HD21 H 7.705 0.030 2 118 16 16 ASN HD22 H 6.989 0.030 2 119 16 16 ASN C C 175.463 0.300 1 120 16 16 ASN HB2 H 2.893 0.030 1 121 17 17 GLU N N 120.826 0.300 1 122 17 17 GLU H H 8.704 0.030 1 123 17 17 GLU CA C 58.511 0.300 1 124 17 17 GLU HA H 4.227 0.030 1 125 17 17 GLU CB C 29.478 0.300 1 126 17 17 GLU HB3 H 1.380 0.030 1 127 17 17 GLU CG C 35.763 0.300 1 128 17 17 GLU HG3 H 1.915 0.030 2 129 17 17 GLU C C 177.096 0.300 1 130 17 17 GLU HB2 H 1.380 0.030 1 131 17 17 GLU HG2 H 1.808 0.030 2 132 18 18 CYS N N 114.551 0.300 1 133 18 18 CYS H H 7.945 0.030 1 134 18 18 CYS CA C 58.357 0.300 1 135 18 18 CYS HA H 5.196 0.030 1 136 18 18 CYS CB C 32.462 0.300 1 137 18 18 CYS HB3 H 3.458 0.030 2 138 18 18 CYS C C 176.232 0.300 1 139 18 18 CYS HB2 H 2.898 0.030 2 140 19 19 GLY N N 113.587 0.300 1 141 19 19 GLY H H 8.233 0.030 1 142 19 19 GLY CA C 46.310 0.300 1 143 19 19 GLY HA3 H 4.284 0.030 2 144 19 19 GLY C C 173.663 0.300 1 145 19 19 GLY HA2 H 3.758 0.030 2 146 20 20 LYS N N 122.684 0.300 1 147 20 20 LYS H H 7.972 0.030 1 148 20 20 LYS CA C 58.156 0.300 1 149 20 20 LYS HA H 4.078 0.030 1 150 20 20 LYS CB C 33.727 0.300 1 151 20 20 LYS HB3 H 1.428 0.030 2 152 20 20 LYS CG C 26.457 0.300 1 153 20 20 LYS HG3 H 1.527 0.030 2 154 20 20 LYS CD C 29.258 0.300 1 155 20 20 LYS HD3 H 1.569 0.030 2 156 20 20 LYS CE C 42.243 0.300 1 157 20 20 LYS HE3 H 3.029 0.030 2 158 20 20 LYS C C 174.656 0.300 1 159 20 20 LYS HB2 H 1.297 0.030 2 160 20 20 LYS HD2 H 1.509 0.030 2 161 20 20 LYS HE2 H 2.959 0.030 2 162 20 20 LYS HG2 H 1.182 0.030 2 163 21 21 THR N N 110.579 0.300 1 164 21 21 THR H H 7.609 0.030 1 165 21 21 THR CA C 59.691 0.300 1 166 21 21 THR HA H 5.205 0.030 1 167 21 21 THR CB C 71.137 0.300 1 168 21 21 THR HB H 4.152 0.030 1 169 21 21 THR CG2 C 21.584 0.300 1 170 21 21 THR HG2 H 1.086 0.030 1 171 21 21 THR C C 173.496 0.300 1 172 22 22 PHE N N 116.127 0.300 1 173 22 22 PHE H H 8.683 0.030 1 174 22 22 PHE CA C 56.997 0.300 1 175 22 22 PHE HA H 4.759 0.030 1 176 22 22 PHE CB C 44.522 0.300 1 177 22 22 PHE HB3 H 3.489 0.030 2 178 22 22 PHE CD1 C 132.336 0.300 1 179 22 22 PHE HD1 H 7.179 0.030 1 180 22 22 PHE CD2 C 132.336 0.300 1 181 22 22 PHE HD2 H 7.179 0.030 1 182 22 22 PHE CE1 C 130.799 0.300 1 183 22 22 PHE HE1 H 6.855 0.030 1 184 22 22 PHE CE2 C 130.799 0.300 1 185 22 22 PHE HE2 H 6.855 0.030 1 186 22 22 PHE CZ C 128.761 0.300 1 187 22 22 PHE HZ H 6.062 0.030 1 188 22 22 PHE C C 175.274 0.300 1 189 22 22 PHE HB2 H 2.617 0.030 2 190 23 23 SER N N 115.350 0.300 1 191 23 23 SER H H 9.509 0.030 1 192 23 23 SER CA C 60.097 0.300 1 193 23 23 SER HA H 4.455 0.030 1 194 23 23 SER CB C 64.104 0.300 1 195 23 23 SER HB3 H 3.751 0.030 2 196 23 23 SER HB2 H 4.066 0.030 2 197 24 24 HIS N N 117.610 0.300 1 198 24 24 HIS H H 7.093 0.030 1 199 24 24 HIS CA C 55.771 0.300 1 200 24 24 HIS HA H 4.570 0.030 1 201 24 24 HIS CB C 33.304 0.300 1 202 24 24 HIS HB3 H 2.116 0.030 2 203 24 24 HIS CD2 C 118.667 0.300 1 204 24 24 HIS HD2 H 6.983 0.030 1 205 24 24 HIS CE1 C 139.517 0.300 1 206 24 24 HIS HE1 H 7.726 0.030 1 207 24 24 HIS HB2 H 2.587 0.030 2 208 25 25 SER H H 7.251 0.030 1 209 25 25 SER CA C 61.178 0.300 1 210 25 25 SER HA H 2.986 0.030 1 211 25 25 SER CB C 61.917 0.300 1 212 25 25 SER HB3 H 3.511 0.030 2 213 25 25 SER HB2 H 3.300 0.030 2 214 26 26 ALA CA C 54.851 0.300 1 215 26 26 ALA HA H 4.129 0.030 1 216 26 26 ALA CB C 18.182 0.300 1 217 26 26 ALA HB H 1.349 0.030 1 218 26 26 ALA C C 180.317 0.300 1 219 27 27 HIS N N 116.106 0.300 1 220 27 27 HIS H H 6.999 0.030 1 221 27 27 HIS CA C 56.588 0.300 1 222 27 27 HIS HA H 4.470 0.030 1 223 27 27 HIS CB C 31.665 0.300 1 224 27 27 HIS HB3 H 3.359 0.030 2 225 27 27 HIS CD2 C 116.686 0.300 1 226 27 27 HIS HD2 H 6.906 0.030 1 227 27 27 HIS CE1 C 138.830 0.300 1 228 27 27 HIS HE1 H 7.674 0.030 1 229 27 27 HIS C C 178.498 0.300 1 230 27 27 HIS HB2 H 3.325 0.030 2 231 28 28 LEU N N 121.252 0.300 1 232 28 28 LEU H H 6.954 0.030 1 233 28 28 LEU CA C 57.761 0.300 1 234 28 28 LEU HA H 3.160 0.030 1 235 28 28 LEU CB C 40.366 0.300 1 236 28 28 LEU HB3 H 1.938 0.030 2 237 28 28 LEU CG C 27.492 0.300 1 238 28 28 LEU HG H 1.514 0.030 1 239 28 28 LEU CD1 C 26.541 0.300 2 240 28 28 LEU HD1 H 1.058 0.030 1 241 28 28 LEU CD2 C 23.078 0.300 2 242 28 28 LEU HD2 H 0.988 0.030 1 243 28 28 LEU C C 177.469 0.300 1 244 28 28 LEU HB2 H 1.138 0.030 2 245 29 29 SER N N 114.613 0.300 1 246 29 29 SER H H 8.258 0.030 1 247 29 29 SER CA C 62.389 0.300 1 248 29 29 SER HA H 3.861 0.030 1 249 29 29 SER CB C 62.209 0.300 1 250 29 29 SER HB3 H 4.230 0.030 1 251 29 29 SER C C 176.889 0.300 1 252 29 29 SER HB2 H 4.230 0.030 1 253 30 30 LYS N N 120.296 0.300 1 254 30 30 LYS H H 7.420 0.030 1 255 30 30 LYS CA C 58.898 0.300 1 256 30 30 LYS HA H 4.064 0.030 1 257 30 30 LYS CB C 32.454 0.300 1 258 30 30 LYS HB3 H 1.874 0.030 2 259 30 30 LYS CG C 24.942 0.300 1 260 30 30 LYS HG3 H 1.502 0.030 2 261 30 30 LYS CD C 29.090 0.300 1 262 30 30 LYS HD3 H 1.679 0.030 1 263 30 30 LYS CE C 42.238 0.300 1 264 30 30 LYS HE3 H 2.960 0.030 1 265 30 30 LYS C C 178.850 0.300 1 266 30 30 LYS HB2 H 1.834 0.030 2 267 30 30 LYS HD2 H 1.679 0.030 1 268 30 30 LYS HE2 H 2.960 0.030 1 269 30 30 LYS HG2 H 1.441 0.030 2 270 31 31 HIS N N 119.097 0.300 1 271 31 31 HIS H H 7.585 0.030 1 272 31 31 HIS CA C 59.221 0.300 1 273 31 31 HIS HA H 4.186 0.030 1 274 31 31 HIS CB C 28.480 0.300 1 275 31 31 HIS HB3 H 3.109 0.030 2 276 31 31 HIS CD2 C 127.152 0.300 1 277 31 31 HIS HD2 H 6.924 0.030 1 278 31 31 HIS CE1 C 139.573 0.300 1 279 31 31 HIS HE1 H 8.058 0.030 1 280 31 31 HIS C C 176.309 0.300 1 281 31 31 HIS HB2 H 2.878 0.030 2 282 32 32 GLN N N 115.041 0.300 1 283 32 32 GLN H H 8.315 0.030 1 284 32 32 GLN CA C 59.416 0.300 1 285 32 32 GLN HA H 3.715 0.030 1 286 32 32 GLN CB C 28.247 0.300 1 287 32 32 GLN HB3 H 2.311 0.030 2 288 32 32 GLN CG C 35.452 0.300 1 289 32 32 GLN HG3 H 2.807 0.030 1 290 32 32 GLN NE2 N 112.498 0.300 1 291 32 32 GLN HE21 H 7.049 0.030 2 292 32 32 GLN HE22 H 7.623 0.030 2 293 32 32 GLN C C 177.758 0.300 1 294 32 32 GLN HB2 H 2.210 0.030 2 295 32 32 GLN HG2 H 2.807 0.030 1 296 33 33 LEU N N 118.894 0.300 1 297 33 33 LEU H H 7.181 0.030 1 298 33 33 LEU CA C 57.476 0.300 1 299 33 33 LEU HA H 4.056 0.030 1 300 33 33 LEU CB C 41.570 0.300 1 301 33 33 LEU HB3 H 1.806 0.030 2 302 33 33 LEU CG C 26.648 0.300 1 303 33 33 LEU HG H 1.888 0.030 1 304 33 33 LEU CD1 C 25.288 0.300 2 305 33 33 LEU HD1 H 0.966 0.030 1 306 33 33 LEU CD2 C 22.494 0.300 2 307 33 33 LEU HD2 H 0.866 0.030 1 308 33 33 LEU C C 179.710 0.300 1 309 33 33 LEU HB2 H 1.506 0.030 2 310 34 34 ILE N N 116.556 0.300 1 311 34 34 ILE H H 7.824 0.030 1 312 34 34 ILE CA C 63.328 0.300 1 313 34 34 ILE HA H 3.939 0.030 1 314 34 34 ILE CB C 37.595 0.300 1 315 34 34 ILE HB H 1.678 0.030 1 316 34 34 ILE CG1 C 26.844 0.300 1 317 34 34 ILE HG13 H 0.952 0.030 2 318 34 34 ILE CG2 C 16.482 0.300 1 319 34 34 ILE HG2 H 0.599 0.030 1 320 34 34 ILE CD1 C 14.270 0.300 1 321 34 34 ILE HD1 H 0.714 0.030 1 322 34 34 ILE C C 177.765 0.300 1 323 34 34 ILE HG12 H 0.839 0.030 2 324 35 35 HIS N N 117.319 0.300 1 325 35 35 HIS H H 7.053 0.030 1 326 35 35 HIS CA C 55.162 0.300 1 327 35 35 HIS HA H 4.793 0.030 1 328 35 35 HIS CB C 28.486 0.300 1 329 35 35 HIS HB3 H 3.385 0.030 2 330 35 35 HIS CD2 C 127.616 0.300 1 331 35 35 HIS HD2 H 6.755 0.030 1 332 35 35 HIS CE1 C 140.032 0.300 1 333 35 35 HIS HE1 H 8.066 0.030 1 334 35 35 HIS C C 175.328 0.300 1 335 35 35 HIS HB2 H 3.133 0.030 2 336 36 36 ALA N N 122.453 0.300 1 337 36 36 ALA H H 7.546 0.030 1 338 36 36 ALA CA C 53.295 0.300 1 339 36 36 ALA HA H 4.340 0.030 1 340 36 36 ALA CB C 19.226 0.300 1 341 36 36 ALA HB H 1.476 0.030 1 342 36 36 ALA C C 178.109 0.300 1 343 37 37 GLY N N 107.129 0.300 1 344 37 37 GLY H H 8.129 0.030 1 345 37 37 GLY CA C 45.268 0.300 1 346 37 37 GLY HA3 H 3.998 0.030 2 347 37 37 GLY C C 174.043 0.300 1 348 37 37 GLY HA2 H 3.954 0.030 2 349 38 38 GLU N N 119.932 0.300 1 350 38 38 GLU H H 8.057 0.030 1 351 38 38 GLU CA C 56.397 0.300 1 352 38 38 GLU HA H 4.284 0.030 1 353 38 38 GLU CB C 30.566 0.300 1 354 38 38 GLU HB3 H 2.035 0.030 2 355 38 38 GLU CG C 36.277 0.300 1 356 38 38 GLU HG3 H 2.298 0.030 2 357 38 38 GLU C C 176.062 0.300 1 358 38 38 GLU HB2 H 1.955 0.030 2 359 38 38 GLU HG2 H 2.230 0.030 2 360 39 39 ASN N N 120.263 0.300 1 361 39 39 ASN H H 8.524 0.030 1 362 39 39 ASN CA C 51.432 0.300 1 363 39 39 ASN HA H 4.986 0.030 1 364 39 39 ASN CB C 39.023 0.300 1 365 39 39 ASN HB3 H 2.834 0.030 2 366 39 39 ASN ND2 N 113.405 0.300 1 367 39 39 ASN HD21 H 7.641 0.030 2 368 39 39 ASN HD22 H 6.950 0.030 2 369 39 39 ASN C C 173.352 0.300 1 370 39 39 ASN HB2 H 2.693 0.030 2 371 40 40 PRO CA C 63.132 0.300 1 372 40 40 PRO HA H 4.437 0.030 1 373 40 40 PRO CB C 32.192 0.300 1 374 40 40 PRO HB3 H 1.993 0.030 2 375 40 40 PRO CG C 27.253 0.300 1 376 40 40 PRO HG3 H 2.028 0.030 1 377 40 40 PRO CD C 50.769 0.300 1 378 40 40 PRO HD3 H 3.788 0.030 2 379 40 40 PRO HB2 H 2.305 0.030 2 380 40 40 PRO HD2 H 3.748 0.030 2 381 40 40 PRO HG2 H 2.028 0.030 1 382 41 41 SER N N 116.490 0.300 1 383 41 41 SER H H 8.541 0.030 1 384 41 41 SER CA C 58.569 0.300 1 385 41 41 SER CB C 64.089 0.300 1 386 42 42 GLY HA2 H 4.122 0.030 2 387 43 43 PRO CA C 63.258 0.300 1 388 43 43 PRO HA H 4.490 0.030 1 389 43 43 PRO CB C 32.196 0.300 1 390 43 43 PRO HB3 H 1.990 0.030 2 391 43 43 PRO CG C 27.239 0.300 1 392 43 43 PRO HG3 H 2.026 0.030 1 393 43 43 PRO CD C 49.839 0.300 1 394 43 43 PRO HD3 H 3.636 0.030 1 395 43 43 PRO HB2 H 2.306 0.030 2 396 43 43 PRO HD2 H 3.636 0.030 1 397 43 43 PRO HG2 H 2.026 0.030 1 398 44 44 SER N N 115.698 0.300 1 399 44 44 SER H H 8.413 0.030 1 400 44 44 SER CA C 58.408 0.300 1 401 44 44 SER HA H 4.489 0.030 1 402 44 44 SER CB C 63.941 0.300 1 403 44 44 SER HB2 H 3.900 0.030 2 404 45 45 SER CA C 58.456 0.300 1 405 45 45 SER HA H 4.490 0.030 1 406 45 45 SER CB C 64.115 0.300 1 407 45 45 SER HB3 H 3.856 0.030 1 408 45 45 SER C C 173.910 0.300 1 409 45 45 SER HB2 H 3.856 0.030 1 410 46 46 GLY N N 116.881 0.300 1 411 46 46 GLY H H 8.057 0.030 1 412 46 46 GLY CA C 46.222 0.300 1 413 46 46 GLY C C 178.969 0.300 1 414 46 46 GLY HA2 H 3.785 0.030 2 stop_ save_