data_11484 ####################### # 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 11484 _BMRB_flat_file_name bmr11484.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" 208 "13C chemical shifts" 145 "15N chemical shifts" 31 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 37 _Mol_residue_sequence ; GSSGSSGIKQHCRFCKKKYS DVKNLIKHIRDMHDPQD ; 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 ILE 9 9 LYS 10 10 GLN 11 11 HIS 12 12 CYS 13 13 ARG 14 14 PHE 15 15 CYS 16 16 LYS 17 17 LYS 18 18 LYS 19 19 TYR 20 20 SER 21 21 ASP 22 22 VAL 23 23 LYS 24 24 ASN 25 25 LEU 26 26 ILE 27 27 LYS 28 28 HIS 29 29 ILE 30 30 ARG 31 31 ASP 32 32 MET 33 33 HIS 34 34 ASP 35 35 PRO 36 36 GLN 37 37 ASP stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date 2015-08-19 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 BMRB 11476 protein 100.00 37 97.30 97.30 2.22e-16 PDB 2ELU "Solution Structure Of The 5th C2h2 Zinc Finger Of Human Zinc Finger Protein 406" 100.00 37 97.30 97.30 2.22e-16 PDB 2ELW "Solution Structure Of The 5th C2h2 Zinc Finger Of Mouse Zinc Finger Protein 406" 100.00 37 100.00 100.00 3.33e-17 PDB 2RUW "Solution Structures Of The Dna-binding Domain (zf5) Of Immune-related Zinc-finger Protein Zfat" 100.00 37 97.30 97.30 2.22e-16 PDB 2RV4 "Solution Structures Of The Dna-binding Domain (zf5) Of Mouse Immune- Related Zinc-finger Protein Zfat" 100.00 37 100.00 100.00 3.33e-17 GB AAH53930 "Zinc finger and AT hook domain containing [Mus musculus]" 81.08 1219 100.00 100.00 1.07e-10 GB ABY67968 "ZFAT [Mus musculus]" 81.08 1237 100.00 100.00 1.02e-10 GB EDL29394 "zinc finger protein 406, isoform CRA_a [Mus musculus]" 81.08 1289 100.00 100.00 9.40e-11 GB EDL29395 "zinc finger protein 406, isoform CRA_b, partial [Mus musculus]" 81.08 1272 100.00 100.00 9.37e-11 GB EDM16136 "zinc finger protein 406 (predicted), isoform CRA_a [Rattus norvegicus]" 81.08 979 100.00 100.00 2.81e-11 REF NP_001128429 "zinc finger protein ZFAT [Rattus norvegicus]" 81.08 1218 100.00 100.00 8.32e-11 REF NP_001139360 "zinc finger protein ZFAT isoform 1 [Mus musculus]" 81.08 1237 100.00 100.00 1.02e-10 REF NP_941046 "zinc finger protein ZFAT isoform 2 [Mus musculus]" 81.08 1219 100.00 100.00 1.07e-10 REF XP_005078763 "PREDICTED: LOW QUALITY PROTEIN: zinc finger protein ZFAT [Mesocricetus auratus]" 81.08 1210 100.00 100.00 7.84e-11 REF XP_006241774 "PREDICTED: zinc finger protein ZFAT isoform X1 [Rattus norvegicus]" 81.08 1243 100.00 100.00 7.04e-11 SP Q7TS63 "RecName: Full=Zinc finger protein ZFAT; AltName: Full=Zinc finger protein 406" 81.08 1237 100.00 100.00 1.02e-10 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 Mouse 10090 Eukaryota Metazoa Mus musculus 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 . P060718-11 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 1.09 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 7 7 GLY HA2 H 3.985 0.030 1 2 7 7 GLY HA3 H 3.985 0.030 1 3 7 7 GLY C C 174.007 0.300 1 4 7 7 GLY CA C 45.356 0.300 1 5 8 8 ILE H H 7.993 0.030 1 6 8 8 ILE HA H 4.160 0.030 1 7 8 8 ILE HB H 1.852 0.030 1 8 8 8 ILE HD1 H 0.849 0.030 1 9 8 8 ILE HG12 H 1.461 0.030 2 10 8 8 ILE HG13 H 1.173 0.030 2 11 8 8 ILE HG2 H 0.892 0.030 1 12 8 8 ILE C C 176.393 0.300 1 13 8 8 ILE CA C 61.210 0.300 1 14 8 8 ILE CB C 38.637 0.300 1 15 8 8 ILE CD1 C 12.931 0.300 1 16 8 8 ILE CG1 C 27.263 0.300 1 17 8 8 ILE CG2 C 17.536 0.300 1 18 8 8 ILE N N 120.382 0.300 1 19 9 9 LYS H H 8.395 0.030 1 20 9 9 LYS HA H 4.429 0.030 1 21 9 9 LYS HB2 H 1.681 0.030 1 22 9 9 LYS HB3 H 1.681 0.030 1 23 9 9 LYS HD2 H 1.573 0.030 2 24 9 9 LYS HD3 H 1.496 0.030 2 25 9 9 LYS HE2 H 2.931 0.030 1 26 9 9 LYS HE3 H 2.931 0.030 1 27 9 9 LYS HG2 H 1.446 0.030 2 28 9 9 LYS HG3 H 1.352 0.030 2 29 9 9 LYS C C 175.939 0.300 1 30 9 9 LYS CA C 55.921 0.300 1 31 9 9 LYS CB C 33.408 0.300 1 32 9 9 LYS CD C 29.269 0.300 1 33 9 9 LYS CE C 42.296 0.300 1 34 9 9 LYS CG C 25.160 0.300 1 35 9 9 LYS N N 124.991 0.300 1 36 10 10 GLN H H 8.497 0.030 1 37 10 10 GLN HA H 4.489 0.030 1 38 10 10 GLN HB2 H 2.187 0.030 2 39 10 10 GLN HB3 H 1.818 0.030 2 40 10 10 GLN HE21 H 7.419 0.030 2 41 10 10 GLN HE22 H 6.697 0.030 2 42 10 10 GLN HG2 H 2.312 0.030 2 43 10 10 GLN HG3 H 2.099 0.030 2 44 10 10 GLN C C 174.720 0.300 1 45 10 10 GLN CA C 54.765 0.300 1 46 10 10 GLN CB C 30.111 0.300 1 47 10 10 GLN CG C 33.477 0.300 1 48 10 10 GLN N N 119.537 0.300 1 49 10 10 GLN NE2 N 111.515 0.300 1 50 11 11 HIS H H 8.316 0.030 1 51 11 11 HIS HA H 5.135 0.030 1 52 11 11 HIS HB2 H 2.816 0.030 1 53 11 11 HIS HB3 H 2.816 0.030 1 54 11 11 HIS HD2 H 6.748 0.030 1 55 11 11 HIS C C 174.458 0.300 1 56 11 11 HIS CA C 54.939 0.300 1 57 11 11 HIS CB C 32.538 0.300 1 58 11 11 HIS CD2 C 121.782 0.300 1 59 11 11 HIS N N 119.321 0.300 1 60 12 12 CYS H H 8.982 0.030 1 61 12 12 CYS HA H 4.432 0.030 1 62 12 12 CYS HB2 H 3.363 0.030 2 63 12 12 CYS HB3 H 2.840 0.030 2 64 12 12 CYS C C 177.661 0.300 1 65 12 12 CYS CA C 59.996 0.300 1 66 12 12 CYS CB C 29.801 0.300 1 67 12 12 CYS N N 124.370 0.300 1 68 13 13 ARG H H 8.923 0.030 1 69 13 13 ARG HA H 4.148 0.030 1 70 13 13 ARG HB2 H 1.608 0.030 2 71 13 13 ARG HB3 H 1.555 0.030 2 72 13 13 ARG HD2 H 2.940 0.030 2 73 13 13 ARG HD3 H 2.858 0.030 2 74 13 13 ARG HG2 H 1.235 0.030 2 75 13 13 ARG HG3 H 0.561 0.030 2 76 13 13 ARG C C 176.038 0.300 1 77 13 13 ARG CA C 57.861 0.300 1 78 13 13 ARG CB C 29.269 0.300 1 79 13 13 ARG CD C 43.304 0.300 1 80 13 13 ARG CG C 25.974 0.300 1 81 13 13 ARG N N 129.717 0.300 1 82 14 14 PHE H H 9.093 0.030 1 83 14 14 PHE HA H 4.410 0.030 1 84 14 14 PHE HB2 H 2.515 0.030 2 85 14 14 PHE HB3 H 1.586 0.030 2 86 14 14 PHE HD1 H 7.106 0.030 1 87 14 14 PHE HD2 H 7.106 0.030 1 88 14 14 PHE HE1 H 7.312 0.030 1 89 14 14 PHE HE2 H 7.312 0.030 1 90 14 14 PHE HZ H 7.312 0.030 1 91 14 14 PHE C C 176.517 0.300 1 92 14 14 PHE CA C 59.862 0.300 1 93 14 14 PHE CB C 37.902 0.300 1 94 14 14 PHE CD1 C 131.728 0.300 1 95 14 14 PHE CD2 C 131.728 0.300 1 96 14 14 PHE CE1 C 131.266 0.300 1 97 14 14 PHE CE2 C 131.266 0.300 1 98 14 14 PHE CZ C 129.895 0.300 1 99 14 14 PHE N N 120.997 0.300 1 100 15 15 CYS H H 8.355 0.030 1 101 15 15 CYS HA H 5.173 0.030 1 102 15 15 CYS HB2 H 3.497 0.030 2 103 15 15 CYS HB3 H 3.046 0.030 2 104 15 15 CYS C C 175.226 0.300 1 105 15 15 CYS CA C 58.866 0.300 1 106 15 15 CYS CB C 31.664 0.300 1 107 15 15 CYS N N 117.766 0.300 1 108 16 16 LYS H H 8.265 0.030 1 109 16 16 LYS HA H 4.190 0.030 1 110 16 16 LYS HB2 H 2.187 0.030 2 111 16 16 LYS HB3 H 2.011 0.030 2 112 16 16 LYS HD2 H 1.620 0.030 2 113 16 16 LYS HD3 H 1.541 0.030 2 114 16 16 LYS HE2 H 2.919 0.030 1 115 16 16 LYS HE3 H 2.919 0.030 1 116 16 16 LYS HG2 H 1.369 0.030 2 117 16 16 LYS HG3 H 1.273 0.030 2 118 16 16 LYS C C 175.760 0.300 1 119 16 16 LYS CA C 58.293 0.300 1 120 16 16 LYS CB C 29.628 0.300 1 121 16 16 LYS CD C 28.867 0.300 1 122 16 16 LYS CE C 42.331 0.300 1 123 16 16 LYS CG C 25.379 0.300 1 124 16 16 LYS N N 116.878 0.300 1 125 17 17 LYS H H 8.090 0.030 1 126 17 17 LYS HA H 4.090 0.030 1 127 17 17 LYS HB2 H 1.693 0.030 2 128 17 17 LYS HB3 H 1.378 0.030 2 129 17 17 LYS HD2 H 1.571 0.030 2 130 17 17 LYS HD3 H 1.498 0.030 2 131 17 17 LYS HE2 H 2.924 0.030 1 132 17 17 LYS HE3 H 2.924 0.030 1 133 17 17 LYS HG2 H 1.493 0.030 2 134 17 17 LYS HG3 H 1.191 0.030 2 135 17 17 LYS C C 175.278 0.300 1 136 17 17 LYS CA C 58.406 0.300 1 137 17 17 LYS CB C 34.058 0.300 1 138 17 17 LYS CD C 29.279 0.300 1 139 17 17 LYS CE C 42.296 0.300 1 140 17 17 LYS CG C 26.163 0.300 1 141 17 17 LYS N N 123.023 0.300 1 142 18 18 LYS H H 8.047 0.030 1 143 18 18 LYS HA H 4.642 0.030 1 144 18 18 LYS HB2 H 1.447 0.030 1 145 18 18 LYS HB3 H 1.447 0.030 1 146 18 18 LYS HD2 H 1.505 0.030 1 147 18 18 LYS HD3 H 1.505 0.030 1 148 18 18 LYS HE2 H 2.862 0.030 1 149 18 18 LYS HE3 H 2.862 0.030 1 150 18 18 LYS HG2 H 1.217 0.030 2 151 18 18 LYS HG3 H 1.048 0.030 2 152 18 18 LYS C C 175.491 0.300 1 153 18 18 LYS CA C 55.801 0.300 1 154 18 18 LYS CB C 34.719 0.300 1 155 18 18 LYS CD C 29.429 0.300 1 156 18 18 LYS CE C 42.049 0.300 1 157 18 18 LYS CG C 24.876 0.300 1 158 18 18 LYS N N 121.811 0.300 1 159 19 19 TYR H H 8.505 0.030 1 160 19 19 TYR HA H 4.504 0.030 1 161 19 19 TYR HB2 H 3.061 0.030 2 162 19 19 TYR HB3 H 2.420 0.030 2 163 19 19 TYR HD1 H 6.988 0.030 1 164 19 19 TYR HD2 H 6.988 0.030 1 165 19 19 TYR HE1 H 6.208 0.030 1 166 19 19 TYR HE2 H 6.208 0.030 1 167 19 19 TYR C C 175.379 0.300 1 168 19 19 TYR CA C 58.266 0.300 1 169 19 19 TYR CB C 43.578 0.300 1 170 19 19 TYR CD1 C 132.964 0.300 1 171 19 19 TYR CD2 C 132.964 0.300 1 172 19 19 TYR CE1 C 117.435 0.300 1 173 19 19 TYR CE2 C 117.435 0.300 1 174 19 19 TYR N N 120.078 0.300 1 175 20 20 SER HA H 4.475 0.030 1 176 20 20 SER HB2 H 3.982 0.030 2 177 20 20 SER HB3 H 3.905 0.030 2 178 20 20 SER C C 173.387 0.300 1 179 20 20 SER CA C 59.898 0.300 1 180 20 20 SER CB C 63.779 0.300 1 181 21 21 ASP H H 7.791 0.030 1 182 21 21 ASP HA H 4.945 0.030 1 183 21 21 ASP HB2 H 2.945 0.030 2 184 21 21 ASP HB3 H 2.716 0.030 2 185 21 21 ASP C C 176.598 0.300 1 186 21 21 ASP CA C 52.783 0.300 1 187 21 21 ASP CB C 43.416 0.300 1 188 21 21 ASP N N 119.803 0.300 1 189 22 22 VAL H H 8.870 0.030 1 190 22 22 VAL HA H 3.763 0.030 1 191 22 22 VAL HB H 2.138 0.030 1 192 22 22 VAL HG1 H 1.077 0.030 1 193 22 22 VAL HG2 H 1.006 0.030 1 194 22 22 VAL C C 176.562 0.300 1 195 22 22 VAL CA C 65.526 0.300 1 196 22 22 VAL CB C 31.970 0.300 1 197 22 22 VAL CG1 C 22.126 0.300 2 198 22 22 VAL CG2 C 20.566 0.300 2 199 22 22 VAL N N 125.634 0.300 1 200 23 23 LYS H H 8.424 0.030 1 201 23 23 LYS HA H 3.969 0.030 1 202 23 23 LYS HB2 H 1.881 0.030 2 203 23 23 LYS HB3 H 1.751 0.030 2 204 23 23 LYS HD2 H 1.701 0.030 1 205 23 23 LYS HD3 H 1.701 0.030 1 206 23 23 LYS HE2 H 3.003 0.030 1 207 23 23 LYS HE3 H 3.003 0.030 1 208 23 23 LYS HG2 H 1.522 0.030 2 209 23 23 LYS HG3 H 1.382 0.030 2 210 23 23 LYS C C 180.041 0.300 1 211 23 23 LYS CA C 59.980 0.300 1 212 23 23 LYS CB C 31.641 0.300 1 213 23 23 LYS CD C 29.086 0.300 1 214 23 23 LYS CE C 41.834 0.300 1 215 23 23 LYS CG C 25.242 0.300 1 216 23 23 LYS N N 120.865 0.300 1 217 24 24 ASN H H 7.960 0.030 1 218 24 24 ASN HA H 4.498 0.030 1 219 24 24 ASN HB2 H 3.036 0.030 2 220 24 24 ASN HB3 H 2.766 0.030 2 221 24 24 ASN HD21 H 8.301 0.030 2 222 24 24 ASN HD22 H 7.182 0.030 2 223 24 24 ASN C C 177.485 0.300 1 224 24 24 ASN CA C 55.316 0.300 1 225 24 24 ASN CB C 38.291 0.300 1 226 24 24 ASN N N 117.377 0.300 1 227 24 24 ASN ND2 N 114.804 0.300 1 228 25 25 LEU H H 7.386 0.030 1 229 25 25 LEU HA H 3.383 0.030 1 230 25 25 LEU HB2 H 2.127 0.030 2 231 25 25 LEU HB3 H 1.222 0.030 2 232 25 25 LEU HD1 H 0.916 0.030 1 233 25 25 LEU HD2 H 0.960 0.030 1 234 25 25 LEU HG H 1.578 0.030 1 235 25 25 LEU C C 177.333 0.300 1 236 25 25 LEU CA C 58.113 0.300 1 237 25 25 LEU CB C 40.875 0.300 1 238 25 25 LEU CD1 C 26.346 0.300 2 239 25 25 LEU CD2 C 22.523 0.300 2 240 25 25 LEU CG C 27.293 0.300 1 241 25 25 LEU N N 124.002 0.300 1 242 26 26 ILE H H 8.430 0.030 1 243 26 26 ILE HA H 3.633 0.030 1 244 26 26 ILE HB H 1.856 0.030 1 245 26 26 ILE HD1 H 0.844 0.030 1 246 26 26 ILE HG12 H 1.685 0.030 2 247 26 26 ILE HG13 H 1.297 0.030 2 248 26 26 ILE HG2 H 0.924 0.030 1 249 26 26 ILE C C 178.584 0.300 1 250 26 26 ILE CA C 65.102 0.300 1 251 26 26 ILE CB C 37.719 0.300 1 252 26 26 ILE CD1 C 12.764 0.300 1 253 26 26 ILE CG1 C 29.080 0.300 1 254 26 26 ILE CG2 C 17.069 0.300 1 255 26 26 ILE N N 119.193 0.300 1 256 27 27 LYS H H 7.338 0.030 1 257 27 27 LYS HA H 3.939 0.030 1 258 27 27 LYS HB2 H 1.847 0.030 1 259 27 27 LYS HB3 H 1.847 0.030 1 260 27 27 LYS HD2 H 1.744 0.030 2 261 27 27 LYS HD3 H 1.661 0.030 2 262 27 27 LYS HE2 H 3.034 0.030 2 263 27 27 LYS HE3 H 3.009 0.030 2 264 27 27 LYS HG2 H 1.502 0.030 2 265 27 27 LYS HG3 H 1.423 0.030 2 266 27 27 LYS C C 177.017 0.300 1 267 27 27 LYS CA C 59.455 0.300 1 268 27 27 LYS CB C 32.619 0.300 1 269 27 27 LYS CD C 29.080 0.300 1 270 27 27 LYS CE C 42.313 0.300 1 271 27 27 LYS CG C 24.982 0.300 1 272 27 27 LYS N N 119.771 0.300 1 273 28 28 HIS H H 7.598 0.030 1 274 28 28 HIS HA H 4.294 0.030 1 275 28 28 HIS HB2 H 3.395 0.030 2 276 28 28 HIS HB3 H 3.017 0.030 2 277 28 28 HIS HD2 H 7.126 0.030 1 278 28 28 HIS HE1 H 8.000 0.030 1 279 28 28 HIS C C 176.708 0.300 1 280 28 28 HIS CA C 59.562 0.300 1 281 28 28 HIS CB C 27.500 0.300 1 282 28 28 HIS CD2 C 127.134 0.300 1 283 28 28 HIS CE1 C 139.122 0.300 1 284 28 28 HIS N N 118.036 0.300 1 285 29 29 ILE H H 8.558 0.030 1 286 29 29 ILE HA H 3.416 0.030 1 287 29 29 ILE HB H 2.001 0.030 1 288 29 29 ILE HD1 H 1.185 0.030 1 289 29 29 ILE HG12 H 2.276 0.030 2 290 29 29 ILE HG13 H 1.587 0.030 2 291 29 29 ILE HG2 H 1.082 0.030 1 292 29 29 ILE C C 178.430 0.300 1 293 29 29 ILE CA C 66.504 0.300 1 294 29 29 ILE CB C 38.297 0.300 1 295 29 29 ILE CD1 C 14.221 0.300 1 296 29 29 ILE CG1 C 31.256 0.300 1 297 29 29 ILE CG2 C 18.087 0.300 1 298 29 29 ILE N N 119.758 0.300 1 299 30 30 ARG H H 7.904 0.030 1 300 30 30 ARG HA H 4.060 0.030 1 301 30 30 ARG HB2 H 1.914 0.030 1 302 30 30 ARG HB3 H 1.914 0.030 1 303 30 30 ARG HD2 H 3.184 0.030 1 304 30 30 ARG HD3 H 3.184 0.030 1 305 30 30 ARG HG2 H 1.776 0.030 2 306 30 30 ARG HG3 H 1.663 0.030 2 307 30 30 ARG C C 178.006 0.300 1 308 30 30 ARG CA C 58.652 0.300 1 309 30 30 ARG CB C 29.860 0.300 1 310 30 30 ARG CD C 43.408 0.300 1 311 30 30 ARG CG C 27.138 0.300 1 312 30 30 ARG N N 119.874 0.300 1 313 31 31 ASP H H 8.311 0.030 1 314 31 31 ASP HA H 4.347 0.030 1 315 31 31 ASP HB2 H 2.635 0.030 2 316 31 31 ASP HB3 H 2.511 0.030 2 317 31 31 ASP C C 178.398 0.300 1 318 31 31 ASP CA C 56.669 0.300 1 319 31 31 ASP CB C 41.022 0.300 1 320 31 31 ASP N N 116.854 0.300 1 321 32 32 MET H H 8.057 0.030 1 322 32 32 MET HA H 4.483 0.030 1 323 32 32 MET HB2 H 1.115 0.030 2 324 32 32 MET HB3 H 0.772 0.030 2 325 32 32 MET HE H 2.051 0.030 1 326 32 32 MET HG2 H 2.378 0.030 2 327 32 32 MET HG3 H 2.213 0.030 2 328 32 32 MET C C 176.868 0.300 1 329 32 32 MET CA C 54.865 0.300 1 330 32 32 MET CB C 31.985 0.300 1 331 32 32 MET CE C 16.704 0.300 1 332 32 32 MET CG C 32.474 0.300 1 333 32 32 MET N N 112.866 0.300 1 334 33 33 HIS H H 7.809 0.030 1 335 33 33 HIS HA H 4.919 0.030 1 336 33 33 HIS HB2 H 2.580 0.030 2 337 33 33 HIS HB3 H 2.088 0.030 2 338 33 33 HIS HD2 H 6.599 0.030 1 339 33 33 HIS HE1 H 8.017 0.030 1 340 33 33 HIS C C 173.754 0.300 1 341 33 33 HIS CA C 54.125 0.300 1 342 33 33 HIS CB C 29.990 0.300 1 343 33 33 HIS CD2 C 128.650 0.300 1 344 33 33 HIS CE1 C 139.674 0.300 1 345 33 33 HIS N N 115.564 0.300 1 346 34 34 ASP H H 7.932 0.030 1 347 34 34 ASP HA H 4.798 0.030 1 348 34 34 ASP HB2 H 2.698 0.030 2 349 34 34 ASP HB3 H 2.470 0.030 2 350 34 34 ASP C C 173.641 0.300 1 351 34 34 ASP CA C 52.846 0.300 1 352 34 34 ASP CB C 41.123 0.300 1 353 34 34 ASP N N 120.168 0.300 1 354 35 35 PRO HA H 4.425 0.030 1 355 35 35 PRO HB2 H 2.234 0.030 2 356 35 35 PRO HB3 H 1.995 0.030 2 357 35 35 PRO HD2 H 3.662 0.030 2 358 35 35 PRO HD3 H 3.582 0.030 2 359 35 35 PRO HG2 H 2.009 0.030 2 360 35 35 PRO HG3 H 1.937 0.030 2 361 35 35 PRO CA C 63.480 0.300 1 362 35 35 PRO CB C 32.078 0.300 1 363 35 35 PRO CD C 50.558 0.300 1 364 35 35 PRO CG C 27.357 0.300 1 365 36 36 GLN H H 8.467 0.030 1 366 36 36 GLN HA H 4.304 0.030 1 367 36 36 GLN HB2 H 2.166 0.030 2 368 36 36 GLN HB3 H 1.936 0.030 2 369 36 36 GLN HE21 H 7.574 0.030 2 370 36 36 GLN HE22 H 6.775 0.030 2 371 36 36 GLN HG2 H 2.355 0.030 1 372 36 36 GLN HG3 H 2.355 0.030 1 373 36 36 GLN CA C 55.443 0.300 1 374 36 36 GLN CB C 29.773 0.300 1 375 36 36 GLN CG C 33.921 0.300 1 376 36 36 GLN N N 120.323 0.300 1 377 36 36 GLN NE2 N 113.752 0.300 1 378 37 37 ASP H H 7.943 0.030 1 379 37 37 ASP HA H 4.354 0.030 1 380 37 37 ASP HB2 H 2.640 0.030 2 381 37 37 ASP HB3 H 2.560 0.030 2 382 37 37 ASP CA C 55.951 0.300 1 383 37 37 ASP CB C 42.296 0.300 1 384 37 37 ASP N N 126.967 0.300 1 stop_ save_