data_11483 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Solution structures of the DNA-binding domains of immune-related zinc-finger protein ZFAT ; _BMRB_accession_number 11483 _BMRB_flat_file_name bmr11483.str _Entry_type original _Submission_date 2012-03-06 _Accession_date 2012-03-06 _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 Naoya . . 2 Umehara Takashi . . 3 Kigawa Takanori . . 4 Yokoyama Shigeyuki . . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 173 "13C chemical shifts" 128 "15N chemical shifts" 24 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2015-01-20 original author . stop_ _Original_release_date 2015-01-20 save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full . _Citation_title 'Solution structures of the DNA-binding domains of immune-related zinc-finger protein ZFAT' _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 Naoya . . 2 Umehara Takashi . . 3 Kigawa Takanori . . 4 Yokoyama Shigeyuki . . stop_ _Journal_abbreviation 'Not known' _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 protein _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label protein $protein 'ZINC ION' $entity_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_protein _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common protein _Molecular_mass . _Mol_thiol_state 'all other bound' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 36 _Mol_residue_sequence ; GSSGSSGKTHLCDMCGKKFK SKGTLKSHKLLHTADG ; loop_ _Residue_seq_code _Residue_author_seq_code _Residue_label 1 1 GLY 2 2 SER 3 3 SER 4 4 GLY 5 5 SER 6 6 SER 7 7 GLY 8 8 LYS 9 9 THR 10 10 HIS 11 11 LEU 12 12 CYS 13 13 ASP 14 14 MET 15 15 CYS 16 16 GLY 17 17 LYS 18 18 LYS 19 19 PHE 20 20 LYS 21 21 SER 22 22 LYS 23 23 GLY 24 24 THR 25 25 LEU 26 26 LYS 27 27 SER 28 28 HIS 29 29 LYS 30 30 LEU 31 31 LEU 32 32 HIS 33 33 THR 34 34 ALA 35 35 ASP 36 36 GLY stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date 2015-04-26 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 2ELR "Solution Structure Of The 15th C2h2 Zinc Finger Of Human Zinc Finger Protein 406" 100.00 36 100.00 100.00 4.26e-14 PDB 2RV3 "Solution Structures Of The Dna-binding Domain (zf15) Of Immune-related Zinc-finger Protein Zfat" 100.00 36 100.00 100.00 4.26e-14 stop_ save_ ############# # Ligands # ############# save_ZN _Saveframe_category ligand _Mol_type "non-polymer (NON-POLYMER)" _Name_common 'ZINC ION' _BMRB_code ZN _PDB_code ZN _Molecular_mass 65.409 _Mol_charge 2 _Mol_paramagnetic . _Mol_aromatic no _Details . loop_ _Atom_name _PDB_atom_name _Atom_type _Atom_chirality _Atom_charge _Atom_oxidation_number _Atom_unpaired_electrons ZN ZN ZN . 2 . ? stop_ _Mol_thiol_state . _Sequence_homology_query_date . save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species $protein Human 9606 Eukaryota Metazoa Homo sapiens stop_ save_ ######################### # Experimental source # ######################### save_experimental_source _Saveframe_category experimental_source loop_ _Mol_label _Production_method _Host_organism_name_common _Genus _Species _Strain _Vector_name $protein 'cell free synthesis' 'E. coli' Escherichia coli . P060718-09 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 $protein 0.11 mM '[U-13C; U-15N]' TRIS 20 mM [U-2H] 'sodium chloride' 100 mM 'natural abundance' DTT 1 mM [U-2H] 'sodium azide' 0.02 % 'natural abundance' 'zinc chloride' 50 uM 'natural abundance' H2O 90 % . D2O 10 % . stop_ save_ ############################ # Computer software used # ############################ save_xwinnmr _Saveframe_category software _Name xwinnmr _Version . loop_ _Vendor _Address _Electronic_address 'Bruker Biospin' . . stop_ loop_ _Task collection stop_ _Details . save_ save_NMRPipe _Saveframe_category software _Name NMRPipe _Version . loop_ _Vendor _Address _Electronic_address 'Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax' . . stop_ loop_ _Task processing stop_ _Details . save_ save_NMRView _Saveframe_category software _Name NMRView _Version . loop_ _Vendor _Address _Electronic_address 'Johnson, One Moon Scientific' . . stop_ loop_ _Task 'data analysis' stop_ _Details . save_ save_Kujira _Saveframe_category software _Name Kujira _Version . loop_ _Vendor _Address _Electronic_address 'N. Kobayashi' . . stop_ loop_ _Task 'data analysis' stop_ _Details . save_ save_CYANA _Saveframe_category software _Name CYANA _Version . loop_ _Vendor _Address _Electronic_address 'Guntert, Mumenthaler and Wuthrich' . . stop_ loop_ _Task 'structure solution' stop_ _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model Avance _Field_strength 800 _Details . save_ ############################# # NMR applied experiments # ############################# save_3D_1H-15N_NOESY_1 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-15N NOESY' _Sample_label $sample_1 save_ save_3D_1H-13C_NOESY_2 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-13C NOESY' _Sample_label $sample_1 save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Saveframe_category sample_conditions _Details . loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units 'ionic strength' 120 . mM pH 7.0 . pH pressure 1 . atm temperature 296 . K stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference_1 _Saveframe_category chemical_shift_reference _Details ; Chemical shift reference of 1H was based on the proton of water 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 water C 13 protons ppm 4.792 internal indirect . . . 0.251449530 water H 1 protons ppm 4.792 internal direct . . . 1 water N 15 protons ppm 4.792 internal 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_assigned_chem_shift_list_1 _Saveframe_category assigned_chemical_shifts _Details . loop_ _Experiment_label '3D 1H-15N NOESY' '3D 1H-13C NOESY' stop_ loop_ _Sample_label $sample_1 stop_ _Sample_conditions_label $sample_conditions_1 _Chem_shift_reference_set_label $chemical_shift_reference_1 _Mol_system_component_name protein _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 LYS HA H 4.321 0.030 1 2 8 8 LYS HB2 H 1.658 0.030 1 3 8 8 LYS HB3 H 1.658 0.030 1 4 8 8 LYS HD2 H 1.619 0.030 1 5 8 8 LYS HD3 H 1.619 0.030 1 6 8 8 LYS HE2 H 2.942 0.030 1 7 8 8 LYS HE3 H 2.942 0.030 1 8 8 8 LYS HG2 H 1.323 0.030 2 9 8 8 LYS HG3 H 1.231 0.030 2 10 8 8 LYS C C 176.024 0.300 1 11 8 8 LYS CA C 56.044 0.300 1 12 8 8 LYS CB C 33.063 0.300 1 13 8 8 LYS CD C 29.145 0.300 1 14 8 8 LYS CE C 42.257 0.300 1 15 8 8 LYS CG C 24.872 0.300 1 16 9 9 THR H H 7.861 0.030 1 17 9 9 THR HA H 4.373 0.030 1 18 9 9 THR HB H 3.958 0.030 1 19 9 9 THR HG2 H 1.036 0.030 1 20 9 9 THR C C 173.462 0.300 1 21 9 9 THR CA C 61.301 0.300 1 22 9 9 THR CB C 70.567 0.300 1 23 9 9 THR CG2 C 21.749 0.300 1 24 9 9 THR N N 114.115 0.300 1 25 10 10 HIS H H 8.663 0.030 1 26 10 10 HIS HA H 4.604 0.030 1 27 10 10 HIS HB2 H 2.856 0.030 1 28 10 10 HIS HB3 H 2.856 0.030 1 29 10 10 HIS HD2 H 6.580 0.030 1 30 10 10 HIS HE1 H 7.675 0.030 1 31 10 10 HIS C C 174.331 0.300 1 32 10 10 HIS CA C 55.617 0.300 1 33 10 10 HIS CB C 31.765 0.300 1 34 10 10 HIS CD2 C 119.183 0.300 1 35 10 10 HIS CE1 C 138.356 0.300 1 36 10 10 HIS N N 123.605 0.300 1 37 11 11 LEU H H 8.565 0.030 1 38 11 11 LEU HA H 4.814 0.030 1 39 11 11 LEU HB2 H 1.589 0.030 2 40 11 11 LEU HB3 H 1.442 0.030 2 41 11 11 LEU HD1 H 0.803 0.030 1 42 11 11 LEU HD2 H 0.756 0.030 1 43 11 11 LEU HG H 1.335 0.030 1 44 11 11 LEU C C 176.303 0.300 1 45 11 11 LEU CA C 54.520 0.300 1 46 11 11 LEU CB C 45.211 0.300 1 47 11 11 LEU CD1 C 25.532 0.300 2 48 11 11 LEU CD2 C 24.808 0.300 2 49 11 11 LEU CG C 27.173 0.300 1 50 11 11 LEU N N 126.379 0.300 1 51 12 12 CYS H H 9.231 0.030 1 52 12 12 CYS HA H 4.517 0.030 1 53 12 12 CYS HB2 H 3.450 0.030 2 54 12 12 CYS HB3 H 2.808 0.030 2 55 12 12 CYS C C 176.205 0.300 1 56 12 12 CYS CA C 60.231 0.300 1 57 12 12 CYS CB C 29.512 0.300 1 58 12 12 CYS N N 126.233 0.300 1 59 13 13 ASP HA H 4.374 0.030 1 60 13 13 ASP HB2 H 2.774 0.030 1 61 13 13 ASP HB3 H 2.774 0.030 1 62 13 13 ASP C C 175.923 0.300 1 63 13 13 ASP CA C 55.701 0.300 1 64 13 13 ASP CB C 39.736 0.300 1 65 14 14 MET H H 8.863 0.030 1 66 14 14 MET HA H 4.397 0.030 1 67 14 14 MET HB2 H 1.440 0.030 2 68 14 14 MET HB3 H 1.308 0.030 2 69 14 14 MET HE H 1.989 0.030 1 70 14 14 MET HG2 H 2.396 0.030 2 71 14 14 MET HG3 H 2.297 0.030 2 72 14 14 MET C C 176.998 0.300 1 73 14 14 MET CA C 57.341 0.300 1 74 14 14 MET CB C 32.730 0.300 1 75 14 14 MET CE C 17.518 0.300 1 76 14 14 MET CG C 32.593 0.300 1 77 14 14 MET N N 120.633 0.300 1 78 15 15 CYS H H 8.014 0.030 1 79 15 15 CYS HA H 5.168 0.030 1 80 15 15 CYS HB2 H 3.440 0.030 2 81 15 15 CYS HB3 H 2.915 0.030 2 82 15 15 CYS C C 176.183 0.300 1 83 15 15 CYS CA C 58.610 0.300 1 84 15 15 CYS CB C 32.404 0.300 1 85 15 15 CYS N N 115.489 0.300 1 86 16 16 GLY H H 8.325 0.030 1 87 16 16 GLY HA2 H 4.217 0.030 2 88 16 16 GLY HA3 H 3.845 0.030 2 89 16 16 GLY C C 173.669 0.300 1 90 16 16 GLY CA C 46.324 0.300 1 91 16 16 GLY N N 113.286 0.300 1 92 17 17 LYS H H 7.905 0.030 1 93 17 17 LYS HA H 4.082 0.030 1 94 17 17 LYS HB2 H 1.484 0.030 2 95 17 17 LYS HB3 H 1.352 0.030 2 96 17 17 LYS HD2 H 1.608 0.030 2 97 17 17 LYS HD3 H 1.555 0.030 2 98 17 17 LYS HE2 H 3.007 0.030 1 99 17 17 LYS HE3 H 3.007 0.030 1 100 17 17 LYS HG2 H 1.623 0.030 2 101 17 17 LYS HG3 H 1.226 0.030 2 102 17 17 LYS C C 173.998 0.300 1 103 17 17 LYS CA C 57.834 0.300 1 104 17 17 LYS CB C 34.260 0.300 1 105 17 17 LYS CD C 29.438 0.300 1 106 17 17 LYS CE C 42.288 0.300 1 107 17 17 LYS CG C 26.846 0.300 1 108 17 17 LYS N N 121.534 0.300 1 109 18 18 LYS H H 7.743 0.030 1 110 18 18 LYS HA H 4.862 0.030 1 111 18 18 LYS HB2 H 1.482 0.030 2 112 18 18 LYS HB3 H 1.455 0.030 2 113 18 18 LYS HD2 H 1.574 0.030 1 114 18 18 LYS HD3 H 1.574 0.030 1 115 18 18 LYS HE2 H 2.887 0.030 1 116 18 18 LYS HE3 H 2.887 0.030 1 117 18 18 LYS HG2 H 1.344 0.030 2 118 18 18 LYS HG3 H 1.139 0.030 2 119 18 18 LYS C C 175.772 0.300 1 120 18 18 LYS CA C 55.261 0.300 1 121 18 18 LYS CB C 35.370 0.300 1 122 18 18 LYS CD C 29.487 0.300 1 123 18 18 LYS CE C 42.105 0.300 1 124 18 18 LYS CG C 25.530 0.300 1 125 18 18 LYS N N 118.732 0.300 1 126 19 19 PHE H H 8.760 0.030 1 127 19 19 PHE HA H 4.611 0.030 1 128 19 19 PHE HB2 H 3.482 0.030 2 129 19 19 PHE HB3 H 2.638 0.030 2 130 19 19 PHE HD1 H 7.191 0.030 1 131 19 19 PHE HD2 H 7.191 0.030 1 132 19 19 PHE HE1 H 6.723 0.030 1 133 19 19 PHE HE2 H 6.723 0.030 1 134 19 19 PHE HZ H 5.959 0.030 1 135 19 19 PHE C C 176.083 0.300 1 136 19 19 PHE CA C 57.728 0.300 1 137 19 19 PHE CB C 43.096 0.300 1 138 19 19 PHE CD1 C 132.060 0.300 1 139 19 19 PHE CD2 C 132.060 0.300 1 140 19 19 PHE CE1 C 130.652 0.300 1 141 19 19 PHE CE2 C 130.652 0.300 1 142 19 19 PHE CZ C 128.348 0.300 1 143 19 19 PHE N N 118.981 0.300 1 144 20 20 LYS HA H 4.518 0.030 1 145 20 20 LYS HB2 H 2.029 0.030 2 146 20 20 LYS HB3 H 1.946 0.030 2 147 20 20 LYS HD2 H 1.733 0.030 1 148 20 20 LYS HD3 H 1.733 0.030 1 149 20 20 LYS HE2 H 3.002 0.030 1 150 20 20 LYS HE3 H 3.002 0.030 1 151 20 20 LYS HG2 H 1.538 0.030 1 152 20 20 LYS HG3 H 1.538 0.030 1 153 20 20 LYS CA C 57.376 0.300 1 154 20 20 LYS CB C 33.199 0.300 1 155 20 20 LYS CD C 29.237 0.300 1 156 20 20 LYS CE C 42.043 0.300 1 157 20 20 LYS CG C 25.121 0.300 1 158 21 21 SER H H 7.503 0.030 1 159 21 21 SER HA H 4.607 0.030 1 160 21 21 SER HB2 H 4.143 0.030 2 161 21 21 SER HB3 H 3.929 0.030 2 162 21 21 SER CA C 55.873 0.300 1 163 21 21 SER CB C 66.710 0.300 1 164 21 21 SER N N 109.947 0.300 1 165 22 22 LYS H H 8.726 0.030 1 166 22 22 LYS HA H 3.509 0.030 1 167 22 22 LYS HB2 H 1.646 0.030 1 168 22 22 LYS HB3 H 1.646 0.030 1 169 22 22 LYS HD2 H 1.672 0.030 1 170 22 22 LYS HD3 H 1.672 0.030 1 171 22 22 LYS HE2 H 3.003 0.030 1 172 22 22 LYS HE3 H 3.003 0.030 1 173 22 22 LYS HG2 H 1.297 0.030 2 174 22 22 LYS HG3 H 1.230 0.030 2 175 22 22 LYS CA C 59.217 0.300 1 176 22 22 LYS CB C 32.151 0.300 1 177 22 22 LYS CD C 29.387 0.300 1 178 22 22 LYS CE C 41.956 0.300 1 179 22 22 LYS CG C 25.342 0.300 1 180 22 22 LYS N N 122.299 0.300 1 181 23 23 GLY HA2 H 3.912 0.030 2 182 23 23 GLY HA3 H 3.770 0.030 2 183 23 23 GLY C C 176.767 0.300 1 184 23 23 GLY CA C 47.047 0.300 1 185 24 24 THR H H 7.642 0.030 1 186 24 24 THR HA H 4.129 0.030 1 187 24 24 THR HB H 4.269 0.030 1 188 24 24 THR HG2 H 1.357 0.030 1 189 24 24 THR C C 177.678 0.300 1 190 24 24 THR CA C 64.849 0.300 1 191 24 24 THR CB C 68.551 0.300 1 192 24 24 THR CG2 C 23.716 0.300 1 193 24 24 THR N N 115.535 0.300 1 194 25 25 LEU H H 7.407 0.030 1 195 25 25 LEU HA H 3.271 0.030 1 196 25 25 LEU HB2 H 1.950 0.030 2 197 25 25 LEU HB3 H 1.301 0.030 2 198 25 25 LEU HD1 H 0.991 0.030 1 199 25 25 LEU HD2 H 0.909 0.030 1 200 25 25 LEU HG H 1.512 0.030 1 201 25 25 LEU C C 177.230 0.300 1 202 25 25 LEU CA C 58.063 0.300 1 203 25 25 LEU CB C 40.799 0.300 1 204 25 25 LEU CD1 C 26.909 0.300 2 205 25 25 LEU CD2 C 22.929 0.300 2 206 25 25 LEU CG C 27.332 0.300 1 207 25 25 LEU N N 124.259 0.300 1 208 26 26 LYS H H 8.155 0.030 1 209 26 26 LYS HA H 3.834 0.030 1 210 26 26 LYS HB2 H 1.903 0.030 1 211 26 26 LYS HB3 H 1.903 0.030 1 212 26 26 LYS HD2 H 1.663 0.030 1 213 26 26 LYS HD3 H 1.663 0.030 1 214 26 26 LYS HE2 H 2.949 0.030 1 215 26 26 LYS HE3 H 2.949 0.030 1 216 26 26 LYS HG2 H 1.500 0.030 2 217 26 26 LYS HG3 H 1.326 0.030 2 218 26 26 LYS C C 179.247 0.300 1 219 26 26 LYS CA C 60.161 0.300 1 220 26 26 LYS CB C 32.115 0.300 1 221 26 26 LYS CD C 29.475 0.300 1 222 26 26 LYS CE C 42.090 0.300 1 223 26 26 LYS CG C 24.907 0.300 1 224 26 26 LYS N N 119.316 0.300 1 225 27 27 SER H H 7.700 0.030 1 226 27 27 SER HA H 4.110 0.030 1 227 27 27 SER HB2 H 3.838 0.030 1 228 27 27 SER HB3 H 3.838 0.030 1 229 27 27 SER C C 176.600 0.300 1 230 27 27 SER CA C 61.571 0.300 1 231 27 27 SER CB C 62.554 0.300 1 232 27 27 SER N N 113.190 0.300 1 233 28 28 HIS H H 7.648 0.030 1 234 28 28 HIS HA H 4.130 0.030 1 235 28 28 HIS HB2 H 2.966 0.030 2 236 28 28 HIS HB3 H 2.652 0.030 2 237 28 28 HIS HD2 H 6.810 0.030 1 238 28 28 HIS HE1 H 7.991 0.030 1 239 28 28 HIS C C 176.824 0.300 1 240 28 28 HIS CA C 59.191 0.300 1 241 28 28 HIS CB C 27.687 0.300 1 242 28 28 HIS CD2 C 127.495 0.300 1 243 28 28 HIS CE1 C 138.974 0.300 1 244 28 28 HIS N N 121.808 0.300 1 245 29 29 LYS H H 8.385 0.030 1 246 29 29 LYS HA H 3.660 0.030 1 247 29 29 LYS HB2 H 1.943 0.030 1 248 29 29 LYS HB3 H 1.943 0.030 1 249 29 29 LYS HD2 H 1.884 0.030 2 250 29 29 LYS HD3 H 1.827 0.030 2 251 29 29 LYS HE2 H 3.200 0.030 2 252 29 29 LYS HE3 H 3.094 0.030 2 253 29 29 LYS HG2 H 1.985 0.030 2 254 29 29 LYS HG3 H 1.773 0.030 2 255 29 29 LYS C C 178.954 0.300 1 256 29 29 LYS CA C 60.443 0.300 1 257 29 29 LYS CB C 31.801 0.300 1 258 29 29 LYS CD C 29.641 0.300 1 259 29 29 LYS CE C 41.926 0.300 1 260 29 29 LYS CG C 27.024 0.300 1 261 29 29 LYS N N 117.220 0.300 1 262 30 30 LEU H H 7.227 0.030 1 263 30 30 LEU HA H 4.121 0.030 1 264 30 30 LEU HB2 H 1.786 0.030 2 265 30 30 LEU HB3 H 1.502 0.030 2 266 30 30 LEU HD1 H 0.922 0.030 1 267 30 30 LEU HD2 H 0.858 0.030 1 268 30 30 LEU HG H 1.829 0.030 1 269 30 30 LEU C C 178.991 0.300 1 270 30 30 LEU CA C 57.031 0.300 1 271 30 30 LEU CB C 41.639 0.300 1 272 30 30 LEU CD1 C 25.199 0.300 2 273 30 30 LEU CD2 C 22.753 0.300 2 274 30 30 LEU CG C 26.635 0.300 1 275 30 30 LEU N N 118.406 0.300 1 276 31 31 LEU H H 7.687 0.030 1 277 31 31 LEU HA H 4.066 0.030 1 278 31 31 LEU HB2 H 1.445 0.030 2 279 31 31 LEU HB3 H 1.266 0.030 2 280 31 31 LEU HD1 H 0.826 0.030 1 281 31 31 LEU HD2 H 0.759 0.030 1 282 31 31 LEU HG H 1.618 0.030 1 283 31 31 LEU C C 178.992 0.300 1 284 31 31 LEU CA C 56.195 0.300 1 285 31 31 LEU CB C 41.121 0.300 1 286 31 31 LEU CD1 C 25.196 0.300 2 287 31 31 LEU CD2 C 22.756 0.300 2 288 31 31 LEU CG C 26.705 0.300 1 289 31 31 LEU N N 117.712 0.300 1 290 32 32 HIS H H 7.315 0.030 1 291 32 32 HIS HA H 4.724 0.030 1 292 32 32 HIS HB2 H 3.242 0.030 1 293 32 32 HIS HB3 H 3.242 0.030 1 294 32 32 HIS HD2 H 6.598 0.030 1 295 32 32 HIS HE1 H 8.019 0.030 1 296 32 32 HIS C C 175.636 0.300 1 297 32 32 HIS CA C 56.036 0.300 1 298 32 32 HIS CB C 29.068 0.300 1 299 32 32 HIS CD2 C 127.259 0.300 1 300 32 32 HIS CE1 C 139.915 0.300 1 301 32 32 HIS N N 115.827 0.300 1 302 33 33 THR H H 7.811 0.030 1 303 33 33 THR HA H 4.369 0.030 1 304 33 33 THR HB H 4.307 0.030 1 305 33 33 THR HG2 H 1.220 0.030 1 306 33 33 THR C C 174.380 0.300 1 307 33 33 THR CA C 62.047 0.300 1 308 33 33 THR CB C 69.859 0.300 1 309 33 33 THR CG2 C 21.583 0.300 1 310 33 33 THR N N 113.102 0.300 1 311 34 34 ALA H H 8.213 0.030 1 312 34 34 ALA HA H 4.365 0.030 1 313 34 34 ALA HB H 1.409 0.030 1 314 34 34 ALA C C 177.416 0.300 1 315 34 34 ALA CA C 52.811 0.300 1 316 34 34 ALA CB C 19.272 0.300 1 317 34 34 ALA N N 125.704 0.300 1 318 35 35 ASP H H 8.191 0.030 1 319 35 35 ASP HA H 4.627 0.030 1 320 35 35 ASP HB2 H 2.726 0.030 2 321 35 35 ASP HB3 H 2.603 0.030 2 322 35 35 ASP C C 175.646 0.300 1 323 35 35 ASP CA C 54.450 0.300 1 324 35 35 ASP CB C 41.384 0.300 1 325 35 35 ASP N N 119.361 0.300 1 stop_ save_