data_10171 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Solution structure of the C2H2 type zinc finger (region 311-343) of human Zinc finger protein 224 ; _BMRB_accession_number 10171 _BMRB_flat_file_name bmr10171.str _Entry_type original _Submission_date 2008-01-31 _Accession_date 2008-02-01 _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" 208 "13C chemical shifts" 154 "15N chemical shifts" 34 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2009-02-24 original author . stop_ _Original_release_date 2009-02-24 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 311-343) of human Zinc finger protein 224 ; _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 224' _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 ; GSSGSSGTAEKPFRCDTCDK SFRQRSALNSHRMIHTGEKP SGPSSG ; loop_ _Residue_seq_code _Residue_label 1 GLY 2 SER 3 SER 4 GLY 5 SER 6 SER 7 GLY 8 THR 9 ALA 10 GLU 11 LYS 12 PRO 13 PHE 14 ARG 15 CYS 16 ASP 17 THR 18 CYS 19 ASP 20 LYS 21 SER 22 PHE 23 ARG 24 GLN 25 ARG 26 SER 27 ALA 28 LEU 29 ASN 30 SER 31 HIS 32 ARG 33 MET 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 2ENA "Solution Structure Of The C2h2 Type Zinc Finger (Region 311- 343) Of Human Zinc Finger Protein 224" 100.00 46 100.00 100.00 1.19e-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 P061225-28 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 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 7 7 GLY CA C 45.410 0.300 1 2 7 7 GLY HA3 H 4.029 0.030 1 3 7 7 GLY C C 174.333 0.300 1 4 7 7 GLY HA2 H 4.029 0.030 1 5 8 8 THR N N 113.596 0.300 1 6 8 8 THR H H 8.037 0.030 1 7 8 8 THR CA C 61.631 0.300 1 8 8 8 THR HA H 4.339 0.030 1 9 8 8 THR CB C 70.027 0.300 1 10 8 8 THR HB H 4.250 0.030 1 11 8 8 THR CG2 C 21.603 0.300 1 12 8 8 THR HG2 H 1.188 0.030 1 13 8 8 THR C C 174.408 0.300 1 14 9 9 ALA N N 125.919 0.300 1 15 9 9 ALA H H 8.319 0.030 1 16 9 9 ALA CA C 52.725 0.300 1 17 9 9 ALA HA H 4.265 0.030 1 18 9 9 ALA CB C 19.143 0.300 1 19 9 9 ALA HB H 1.351 0.030 1 20 9 9 ALA C C 177.703 0.300 1 21 10 10 GLU N N 119.726 0.300 1 22 10 10 GLU H H 8.258 0.030 1 23 10 10 GLU CA C 57.161 0.300 1 24 10 10 GLU HA H 4.130 0.030 1 25 10 10 GLU CB C 30.255 0.300 1 26 10 10 GLU HB3 H 1.930 0.030 2 27 10 10 GLU CG C 36.379 0.300 1 28 10 10 GLU HG3 H 2.225 0.030 2 29 10 10 GLU C C 176.212 0.300 1 30 10 10 GLU HB2 H 1.975 0.030 2 31 10 10 GLU HG2 H 2.281 0.030 2 32 11 11 LYS N N 120.765 0.300 1 33 11 11 LYS H H 8.078 0.030 1 34 11 11 LYS CA C 53.786 0.300 1 35 11 11 LYS HA H 4.509 0.030 1 36 11 11 LYS CB C 32.725 0.300 1 37 11 11 LYS HB3 H 1.415 0.030 2 38 11 11 LYS CG C 24.981 0.300 1 39 11 11 LYS HG3 H 1.151 0.030 2 40 11 11 LYS CD C 29.546 0.300 1 41 11 11 LYS HD3 H 1.481 0.030 2 42 11 11 LYS CE C 42.129 0.300 1 43 11 11 LYS HE3 H 2.900 0.030 1 44 11 11 LYS C C 174.027 0.300 1 45 11 11 LYS HB2 H 1.597 0.030 2 46 11 11 LYS HD2 H 1.554 0.030 2 47 11 11 LYS HE2 H 2.900 0.030 1 48 11 11 LYS HG2 H 1.323 0.030 2 49 12 12 PRO CA C 63.494 0.300 1 50 12 12 PRO HA H 4.266 0.030 1 51 12 12 PRO CB C 32.363 0.300 1 52 12 12 PRO HB3 H 1.997 0.030 2 53 12 12 PRO CG C 26.603 0.300 1 54 12 12 PRO HG3 H 1.544 0.030 2 55 12 12 PRO CD C 50.329 0.300 1 56 12 12 PRO HD3 H 3.630 0.030 1 57 12 12 PRO C C 176.390 0.300 1 58 12 12 PRO HB2 H 1.244 0.030 2 59 12 12 PRO HD2 H 3.630 0.030 1 60 12 12 PRO HG2 H 1.801 0.030 2 61 13 13 PHE N N 118.125 0.300 1 62 13 13 PHE H H 7.951 0.030 1 63 13 13 PHE CA C 57.351 0.300 1 64 13 13 PHE HA H 4.712 0.030 1 65 13 13 PHE CB C 39.241 0.300 1 66 13 13 PHE HB3 H 3.076 0.030 2 67 13 13 PHE CD1 C 131.675 0.300 1 68 13 13 PHE HD1 H 7.124 0.030 1 69 13 13 PHE CD2 C 131.675 0.300 1 70 13 13 PHE HD2 H 7.124 0.030 1 71 13 13 PHE CE1 C 131.672 0.300 1 72 13 13 PHE HE1 H 7.438 0.030 1 73 13 13 PHE CE2 C 131.672 0.300 1 74 13 13 PHE HE2 H 7.438 0.030 1 75 13 13 PHE CZ C 130.143 0.300 1 76 13 13 PHE HZ H 7.397 0.030 1 77 13 13 PHE C C 174.556 0.300 1 78 13 13 PHE HB2 H 2.899 0.030 2 79 14 14 ARG N N 125.116 0.300 1 80 14 14 ARG H H 8.683 0.030 1 81 14 14 ARG CA C 55.114 0.300 1 82 14 14 ARG HA H 4.811 0.030 1 83 14 14 ARG CB C 32.743 0.300 1 84 14 14 ARG HB3 H 1.818 0.030 2 85 14 14 ARG CG C 27.343 0.300 1 86 14 14 ARG HG3 H 1.490 0.030 1 87 14 14 ARG CD C 43.246 0.300 1 88 14 14 ARG HD3 H 3.116 0.030 2 89 14 14 ARG C C 175.152 0.300 1 90 14 14 ARG HB2 H 1.665 0.030 2 91 14 14 ARG HD2 H 3.171 0.030 2 92 14 14 ARG HG2 H 1.490 0.030 1 93 15 15 CYS N N 126.627 0.300 1 94 15 15 CYS H H 8.950 0.030 1 95 15 15 CYS CA C 60.705 0.300 1 96 15 15 CYS HA H 4.445 0.030 1 97 15 15 CYS CB C 29.486 0.300 1 98 15 15 CYS HB3 H 3.440 0.030 2 99 15 15 CYS C C 175.282 0.300 1 100 15 15 CYS HB2 H 2.836 0.030 2 101 16 16 ASP N N 127.711 0.300 1 102 16 16 ASP H H 9.030 0.030 1 103 16 16 ASP CA C 55.559 0.300 1 104 16 16 ASP HA H 4.588 0.030 1 105 16 16 ASP CB C 40.455 0.300 1 106 16 16 ASP HB3 H 2.847 0.030 1 107 16 16 ASP C C 176.634 0.300 1 108 16 16 ASP HB2 H 2.847 0.030 1 109 17 17 THR N N 119.919 0.300 1 110 17 17 THR H H 9.285 0.030 1 111 17 17 THR CA C 65.157 0.300 1 112 17 17 THR HA H 4.191 0.030 1 113 17 17 THR CB C 69.826 0.300 1 114 17 17 THR HB H 3.194 0.030 1 115 17 17 THR CG2 C 21.137 0.300 1 116 17 17 THR HG2 H 0.685 0.030 1 117 17 17 THR C C 174.022 0.300 1 118 18 18 CYS N N 121.187 0.300 1 119 18 18 CYS H H 8.128 0.030 1 120 18 18 CYS CA C 58.215 0.300 1 121 18 18 CYS HA H 5.105 0.030 1 122 18 18 CYS CB C 31.519 0.300 1 123 18 18 CYS HB3 H 3.411 0.030 2 124 18 18 CYS C C 174.129 0.300 1 125 18 18 CYS HB2 H 2.875 0.030 2 126 19 19 ASP N N 118.150 0.300 1 127 19 19 ASP H H 8.128 0.030 1 128 19 19 ASP CA C 55.559 0.300 1 129 19 19 ASP HA H 4.588 0.030 1 130 19 19 ASP CB C 40.878 0.300 1 131 19 19 ASP HB3 H 2.857 0.030 2 132 19 19 ASP C C 175.850 0.300 1 133 19 19 ASP HB2 H 2.760 0.030 2 134 20 20 LYS N N 121.871 0.300 1 135 20 20 LYS H H 8.112 0.030 1 136 20 20 LYS CA C 57.660 0.300 1 137 20 20 LYS HA H 4.099 0.030 1 138 20 20 LYS CB C 34.026 0.300 1 139 20 20 LYS HB3 H 1.399 0.030 2 140 20 20 LYS CG C 26.264 0.300 1 141 20 20 LYS HG3 H 1.499 0.030 2 142 20 20 LYS CD C 28.985 0.300 1 143 20 20 LYS HD3 H 1.503 0.030 1 144 20 20 LYS CE C 42.331 0.300 1 145 20 20 LYS HE3 H 3.015 0.030 1 146 20 20 LYS C C 174.727 0.300 1 147 20 20 LYS HB2 H 1.247 0.030 2 148 20 20 LYS HD2 H 1.503 0.030 1 149 20 20 LYS HE2 H 3.015 0.030 1 150 20 20 LYS HG2 H 1.294 0.030 2 151 21 21 SER N N 114.588 0.300 1 152 21 21 SER H H 7.743 0.030 1 153 21 21 SER CA C 56.845 0.300 1 154 21 21 SER HA H 5.224 0.030 1 155 21 21 SER CB C 66.180 0.300 1 156 21 21 SER HB3 H 3.589 0.030 2 157 21 21 SER C C 172.795 0.300 1 158 21 21 SER HB2 H 3.618 0.030 2 159 22 22 PHE N N 117.192 0.300 1 160 22 22 PHE H H 8.783 0.030 1 161 22 22 PHE CA C 57.524 0.300 1 162 22 22 PHE HA H 4.727 0.030 1 163 22 22 PHE CB C 44.051 0.300 1 164 22 22 PHE HB3 H 3.462 0.030 2 165 22 22 PHE CD1 C 132.356 0.300 1 166 22 22 PHE HD1 H 7.248 0.030 1 167 22 22 PHE CD2 C 132.356 0.300 1 168 22 22 PHE HD2 H 7.248 0.030 1 169 22 22 PHE CE1 C 130.644 0.300 1 170 22 22 PHE HE1 H 6.877 0.030 1 171 22 22 PHE CE2 C 130.644 0.300 1 172 22 22 PHE HE2 H 6.877 0.030 1 173 22 22 PHE CZ C 129.000 0.300 1 174 22 22 PHE HZ H 6.257 0.030 1 175 22 22 PHE C C 175.101 0.300 1 176 22 22 PHE HB2 H 2.669 0.030 2 177 23 23 ARG N N 120.595 0.300 1 178 23 23 ARG H H 9.190 0.030 1 179 23 23 ARG CA C 58.140 0.300 1 180 23 23 ARG HA H 4.541 0.030 1 181 23 23 ARG CB C 31.352 0.300 1 182 23 23 ARG HB3 H 2.002 0.030 2 183 23 23 ARG CG C 28.318 0.300 1 184 23 23 ARG HG3 H 1.822 0.030 2 185 23 23 ARG CD C 43.363 0.300 1 186 23 23 ARG HD3 H 3.317 0.030 1 187 23 23 ARG C C 175.992 0.300 1 188 23 23 ARG HB2 H 2.119 0.030 2 189 23 23 ARG HD2 H 3.317 0.030 1 190 23 23 ARG HG2 H 1.875 0.030 2 191 24 24 GLN N N 113.055 0.300 1 192 24 24 GLN H H 7.538 0.030 1 193 24 24 GLN CA C 53.944 0.300 1 194 24 24 GLN HA H 4.792 0.030 1 195 24 24 GLN CB C 31.991 0.300 1 196 24 24 GLN HB3 H 2.264 0.030 2 197 24 24 GLN CG C 33.731 0.300 1 198 24 24 GLN HG3 H 2.428 0.030 1 199 24 24 GLN NE2 N 112.229 0.300 1 200 24 24 GLN HE21 H 6.956 0.030 2 201 24 24 GLN HE22 H 7.582 0.030 2 202 24 24 GLN C C 175.828 0.300 1 203 24 24 GLN HB2 H 1.978 0.030 2 204 24 24 GLN HG2 H 2.428 0.030 1 205 25 25 ARG N N 126.893 0.300 1 206 25 25 ARG H H 8.562 0.030 1 207 25 25 ARG CA C 59.274 0.300 1 208 25 25 ARG HA H 2.955 0.030 1 209 25 25 ARG CB C 29.418 0.300 1 210 25 25 ARG HB3 H 1.098 0.030 2 211 25 25 ARG CG C 27.194 0.300 1 212 25 25 ARG HG3 H 1.149 0.030 2 213 25 25 ARG CD C 43.020 0.300 1 214 25 25 ARG HD3 H 3.025 0.030 2 215 25 25 ARG C C 178.032 0.300 1 216 25 25 ARG HB2 H 1.428 0.030 2 217 25 25 ARG HD2 H 3.118 0.030 2 218 25 25 ARG HG2 H 1.280 0.030 2 219 26 26 SER CA C 60.900 0.300 1 220 26 26 SER HA H 3.990 0.030 1 221 26 26 SER CB C 61.349 0.300 1 222 26 26 SER HB3 H 3.849 0.030 1 223 26 26 SER C C 176.508 0.300 1 224 26 26 SER HB2 H 3.849 0.030 1 225 27 27 ALA N N 124.883 0.300 1 226 27 27 ALA H H 6.637 0.030 1 227 27 27 ALA CA C 54.234 0.300 1 228 27 27 ALA HA H 4.143 0.030 1 229 27 27 ALA CB C 19.102 0.300 1 230 27 27 ALA HB H 1.625 0.030 1 231 27 27 ALA C C 179.857 0.300 1 232 28 28 LEU N N 120.865 0.300 1 233 28 28 LEU H H 6.980 0.030 1 234 28 28 LEU CA C 57.651 0.300 1 235 28 28 LEU HA H 3.201 0.030 1 236 28 28 LEU CB C 40.193 0.300 1 237 28 28 LEU HB3 H 1.943 0.030 2 238 28 28 LEU CG C 27.679 0.300 1 239 28 28 LEU HG H 1.496 0.030 1 240 28 28 LEU CD1 C 22.543 0.300 2 241 28 28 LEU HD1 H 1.032 0.030 1 242 28 28 LEU CD2 C 26.619 0.300 2 243 28 28 LEU HD2 H 1.023 0.030 1 244 28 28 LEU C C 177.607 0.300 1 245 28 28 LEU HB2 H 1.273 0.030 2 246 29 29 ASN N N 117.824 0.300 1 247 29 29 ASN H H 8.364 0.030 1 248 29 29 ASN CA C 56.041 0.300 1 249 29 29 ASN HA H 4.291 0.030 1 250 29 29 ASN CB C 37.208 0.300 1 251 29 29 ASN HB3 H 2.776 0.030 1 252 29 29 ASN ND2 N 110.720 0.300 1 253 29 29 ASN HD21 H 7.602 0.030 2 254 29 29 ASN HD22 H 6.683 0.030 2 255 29 29 ASN C C 178.174 0.300 1 256 29 29 ASN HB2 H 2.776 0.030 1 257 30 30 SER N N 114.405 0.300 1 258 30 30 SER H H 7.817 0.030 1 259 30 30 SER CA C 61.429 0.300 1 260 30 30 SER HA H 4.211 0.030 1 261 30 30 SER CB C 62.626 0.300 1 262 30 30 SER HB3 H 3.847 0.030 1 263 30 30 SER C C 176.722 0.300 1 264 30 30 SER HB2 H 3.847 0.030 1 265 31 31 HIS N N 121.832 0.300 1 266 31 31 HIS H H 7.642 0.030 1 267 31 31 HIS CA C 59.238 0.300 1 268 31 31 HIS HA H 4.197 0.030 1 269 31 31 HIS CB C 28.523 0.300 1 270 31 31 HIS HB3 H 3.117 0.030 2 271 31 31 HIS CD2 C 127.215 0.300 1 272 31 31 HIS HD2 H 6.986 0.030 1 273 31 31 HIS CE1 C 139.570 0.300 1 274 31 31 HIS HE1 H 8.020 0.030 1 275 31 31 HIS C C 176.289 0.300 1 276 31 31 HIS HB2 H 2.909 0.030 2 277 32 32 ARG N N 115.403 0.300 1 278 32 32 ARG H H 8.369 0.030 1 279 32 32 ARG CA C 59.823 0.300 1 280 32 32 ARG HA H 3.681 0.030 1 281 32 32 ARG CB C 30.134 0.300 1 282 32 32 ARG HB3 H 1.986 0.030 2 283 32 32 ARG CG C 28.874 0.300 1 284 32 32 ARG HG3 H 2.114 0.030 1 285 32 32 ARG CD C 43.692 0.300 1 286 32 32 ARG HD3 H 3.340 0.030 2 287 32 32 ARG C C 177.770 0.300 1 288 32 32 ARG HB2 H 2.069 0.030 2 289 32 32 ARG HD2 H 3.416 0.030 2 290 32 32 ARG HG2 H 2.114 0.030 1 291 33 33 MET N N 116.194 0.300 1 292 33 33 MET H H 7.101 0.030 1 293 33 33 MET CA C 57.585 0.300 1 294 33 33 MET HA H 4.275 0.030 1 295 33 33 MET CB C 32.092 0.300 1 296 33 33 MET HB3 H 2.110 0.030 2 297 33 33 MET CG C 32.091 0.300 1 298 33 33 MET HG3 H 2.603 0.030 2 299 33 33 MET CE C 16.969 0.300 1 300 33 33 MET HE H 2.073 0.030 1 301 33 33 MET C C 178.400 0.300 1 302 33 33 MET HB2 H 2.074 0.030 2 303 33 33 MET HG2 H 2.801 0.030 2 304 34 34 ILE N N 116.686 0.300 1 305 34 34 ILE H H 7.842 0.030 1 306 34 34 ILE CA C 63.035 0.300 1 307 34 34 ILE HA H 4.015 0.030 1 308 34 34 ILE CB C 37.667 0.300 1 309 34 34 ILE HB H 1.716 0.030 1 310 34 34 ILE CG1 C 26.684 0.300 1 311 34 34 ILE HG13 H 0.966 0.030 2 312 34 34 ILE CG2 C 16.522 0.300 1 313 34 34 ILE HG2 H 0.584 0.030 1 314 34 34 ILE CD1 C 14.354 0.300 1 315 34 34 ILE HD1 H 0.720 0.030 1 316 34 34 ILE C C 177.407 0.300 1 317 34 34 ILE HG12 H 0.784 0.030 2 318 35 35 HIS N N 117.537 0.300 1 319 35 35 HIS H H 7.269 0.030 1 320 35 35 HIS CA C 55.138 0.300 1 321 35 35 HIS HA H 4.896 0.030 1 322 35 35 HIS CB C 28.592 0.300 1 323 35 35 HIS HB3 H 3.365 0.030 2 324 35 35 HIS CD2 C 127.905 0.300 1 325 35 35 HIS HD2 H 6.798 0.030 1 326 35 35 HIS CE1 C 140.194 0.300 1 327 35 35 HIS HE1 H 8.092 0.030 1 328 35 35 HIS C C 175.843 0.300 1 329 35 35 HIS HB2 H 3.285 0.030 2 330 36 36 THR N N 111.953 0.300 1 331 36 36 THR H H 7.782 0.030 1 332 36 36 THR CA C 62.695 0.300 1 333 36 36 THR HA H 4.338 0.030 1 334 36 36 THR CB C 69.805 0.300 1 335 36 36 THR HB H 4.337 0.030 1 336 36 36 THR CG2 C 21.583 0.300 1 337 36 36 THR HG2 H 1.259 0.030 1 338 36 36 THR C C 175.459 0.300 1 339 37 37 GLY N N 110.774 0.300 1 340 37 37 GLY H H 8.280 0.030 1 341 37 37 GLY CA C 45.403 0.300 1 342 37 37 GLY HA3 H 3.973 0.030 2 343 37 37 GLY C C 174.049 0.300 1 344 37 37 GLY HA2 H 4.038 0.030 2 345 38 38 GLU N N 120.547 0.300 1 346 38 38 GLU H H 8.047 0.030 1 347 38 38 GLU CA C 56.525 0.300 1 348 38 38 GLU HA H 4.258 0.030 1 349 38 38 GLU CB C 30.671 0.300 1 350 38 38 GLU HB3 H 1.933 0.030 2 351 38 38 GLU CG C 36.366 0.300 1 352 38 38 GLU HG3 H 2.280 0.030 2 353 38 38 GLU C C 176.086 0.300 1 354 38 38 GLU HB2 H 2.011 0.030 2 355 38 38 GLU HG2 H 2.229 0.030 2 356 39 39 LYS N N 123.461 0.300 1 357 39 39 LYS H H 8.380 0.030 1 358 39 39 LYS CA C 54.014 0.300 1 359 39 39 LYS HA H 4.634 0.030 1 360 39 39 LYS CB C 32.650 0.300 1 361 39 39 LYS HB3 H 1.822 0.030 2 362 39 39 LYS CG C 24.515 0.300 1 363 39 39 LYS HG3 H 1.473 0.030 1 364 39 39 LYS CD C 29.146 0.300 1 365 39 39 LYS HD3 H 1.710 0.030 1 366 39 39 LYS CE C 42.273 0.300 1 367 39 39 LYS HE3 H 2.995 0.030 1 368 39 39 LYS C C 174.430 0.300 1 369 39 39 LYS HB2 H 1.720 0.030 2 370 39 39 LYS HD2 H 1.710 0.030 1 371 39 39 LYS HE2 H 2.995 0.030 1 372 39 39 LYS HG2 H 1.473 0.030 1 373 40 40 PRO CA C 63.204 0.300 1 374 40 40 PRO HA H 4.473 0.030 1 375 40 40 PRO CB C 32.203 0.300 1 376 40 40 PRO HB3 H 2.320 0.030 2 377 40 40 PRO CG C 27.408 0.300 1 378 40 40 PRO HG3 H 2.028 0.030 1 379 40 40 PRO CD C 50.712 0.300 1 380 40 40 PRO HD3 H 3.652 0.030 2 381 40 40 PRO C C 176.955 0.300 1 382 40 40 PRO HB2 H 1.949 0.030 2 383 40 40 PRO HD2 H 3.836 0.030 2 384 40 40 PRO HG2 H 2.028 0.030 1 385 41 41 SER N N 116.471 0.300 1 386 41 41 SER H H 8.474 0.030 1 387 41 41 SER CA C 58.351 0.300 1 388 41 41 SER HA H 4.449 0.030 1 389 41 41 SER CB C 64.036 0.300 1 390 41 41 SER HB3 H 3.853 0.030 1 391 41 41 SER C C 174.649 0.300 1 392 41 41 SER HB2 H 3.853 0.030 1 393 42 42 GLY N N 110.620 0.300 1 394 42 42 GLY H H 8.230 0.030 1 395 42 42 GLY CA C 44.661 0.300 1 396 42 42 GLY C C 171.734 0.300 1 stop_ save_