data_11480 ####################### # 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 11480 _BMRB_flat_file_name bmr11480.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" 185 "13C chemical shifts" 139 "15N chemical shifts" 28 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 ; GSSGSSGRSYSCPVCEKSFS EDRLIKSHIKTNHPEVS ; loop_ _Residue_seq_code _Residue_label 1 GLY 2 SER 3 SER 4 GLY 5 SER 6 SER 7 GLY 8 ARG 9 SER 10 TYR 11 SER 12 CYS 13 PRO 14 VAL 15 CYS 16 GLU 17 LYS 18 SER 19 PHE 20 SER 21 GLU 22 ASP 23 ARG 24 LEU 25 ILE 26 LYS 27 SER 28 HIS 29 ILE 30 LYS 31 THR 32 ASN 33 HIS 34 PRO 35 GLU 36 VAL 37 SER stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date 2015-07-08 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 2ELO "Solution Structure Of The 12th C2h2 Zinc Finger Of Human Zinc Finger Protein 406" 100.00 37 100.00 100.00 2.36e-16 PDB 2RV0 "Solution Structures Of The Dna-binding Domain (zf12) Of Immune-related Zinc-finger Protein Zfat" 100.00 37 100.00 100.00 2.36e-16 DBJ BAA96009 "KIAA1485 protein [Homo sapiens]" 81.08 1104 100.00 100.00 1.69e-10 DBJ BAD12567 "ZFAT-1 [Homo sapiens]" 81.08 1243 100.00 100.00 1.89e-10 DBJ BAD12568 "ZFAT-2 [Homo sapiens]" 81.08 1231 100.00 100.00 1.96e-10 DBJ BAD12569 "ZFAT-3 [Homo sapiens]" 81.08 1231 100.00 100.00 1.96e-10 DBJ BAG72872 "zinc finger and AT hook domain containing protein [synthetic construct]" 81.08 1243 100.00 100.00 1.80e-10 GB AAH12989 "ZFAT protein, partial [Homo sapiens]" 81.08 1190 100.00 100.00 2.33e-10 GB AAH25423 "ZFAT protein, partial [Homo sapiens]" 81.08 1169 100.00 100.00 1.79e-10 GB AAH53930 "Zinc finger and AT hook domain containing [Mus musculus]" 81.08 1219 100.00 100.00 2.23e-10 GB AAH98405 "ZFAT protein, partial [Homo sapiens]" 81.08 1204 100.00 100.00 2.50e-10 GB AAI01767 "Zinc finger and AT hook domain containing [Homo sapiens]" 81.08 1243 100.00 100.00 1.84e-10 REF NP_001025110 "zinc finger protein ZFAT isoform 2 [Homo sapiens]" 81.08 1231 100.00 100.00 1.92e-10 REF NP_001128429 "zinc finger protein ZFAT [Rattus norvegicus]" 81.08 1218 100.00 100.00 2.13e-10 REF NP_001139360 "zinc finger protein ZFAT isoform 1 [Mus musculus]" 81.08 1237 100.00 100.00 2.31e-10 REF NP_001161055 "zinc finger protein ZFAT isoform 2 [Homo sapiens]" 81.08 1231 100.00 100.00 1.92e-10 REF NP_001167628 "zinc finger protein ZFAT isoform 3 [Homo sapiens]" 81.08 1181 100.00 100.00 1.90e-10 SP Q7TS63 "RecName: Full=Zinc finger protein ZFAT; AltName: Full=Zinc finger protein 406" 81.08 1237 100.00 100.00 2.31e-10 SP Q9P243 "RecName: Full=Zinc finger protein ZFAT; AltName: Full=Zinc finger gene in AITD susceptibility region; AltName: Full=Zinc finger" 81.08 1243 100.00 100.00 1.84e-10 TPG DAA22834 "TPA: zinc finger protein 406-like [Bos taurus]" 81.08 1519 100.00 100.00 2.34e-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 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 . P060718-06 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 1.14 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 3.968 0.030 1 2 7 7 GLY HA3 H 3.968 0.030 1 3 7 7 GLY C C 173.773 0.300 1 4 7 7 GLY CA C 45.285 0.300 1 5 8 8 ARG H H 8.144 0.030 1 6 8 8 ARG HA H 4.327 0.030 1 7 8 8 ARG HB2 H 1.684 0.030 1 8 8 8 ARG HB3 H 1.684 0.030 1 9 8 8 ARG HD2 H 3.129 0.030 1 10 8 8 ARG HD3 H 3.129 0.030 1 11 8 8 ARG HG2 H 1.461 0.030 1 12 8 8 ARG HG3 H 1.461 0.030 1 13 8 8 ARG C C 175.337 0.300 1 14 8 8 ARG CA C 55.673 0.300 1 15 8 8 ARG CB C 31.140 0.300 1 16 8 8 ARG CD C 43.215 0.300 1 17 8 8 ARG CG C 26.740 0.300 1 18 8 8 ARG N N 120.679 0.300 1 19 9 9 SER H H 8.015 0.030 1 20 9 9 SER HA H 4.552 0.030 1 21 9 9 SER HB2 H 3.604 0.030 1 22 9 9 SER HB3 H 3.604 0.030 1 23 9 9 SER C C 172.949 0.300 1 24 9 9 SER CA C 57.621 0.300 1 25 9 9 SER CB C 64.513 0.300 1 26 9 9 SER N N 116.048 0.300 1 27 10 10 TYR H H 8.791 0.030 1 28 10 10 TYR HA H 4.713 0.030 1 29 10 10 TYR HB2 H 2.765 0.030 2 30 10 10 TYR HB3 H 3.028 0.030 2 31 10 10 TYR HD1 H 7.030 0.030 1 32 10 10 TYR HD2 H 7.030 0.030 1 33 10 10 TYR HE1 H 6.750 0.030 1 34 10 10 TYR HE2 H 6.750 0.030 1 35 10 10 TYR C C 175.200 0.300 1 36 10 10 TYR CA C 57.065 0.300 1 37 10 10 TYR CB C 39.827 0.300 1 38 10 10 TYR CD1 C 133.330 0.300 1 39 10 10 TYR CD2 C 133.330 0.300 1 40 10 10 TYR CE1 C 117.827 0.300 1 41 10 10 TYR CE2 C 117.827 0.300 1 42 10 10 TYR N N 122.610 0.300 1 43 11 11 SER H H 8.657 0.030 1 44 11 11 SER HA H 5.094 0.030 1 45 11 11 SER HB2 H 3.659 0.030 2 46 11 11 SER HB3 H 3.597 0.030 2 47 11 11 SER C C 173.887 0.300 1 48 11 11 SER CA C 57.188 0.300 1 49 11 11 SER CB C 64.838 0.300 1 50 11 11 SER N N 117.879 0.300 1 51 12 12 CYS H H 9.070 0.030 1 52 12 12 CYS HA H 4.711 0.030 1 53 12 12 CYS HB2 H 3.350 0.030 2 54 12 12 CYS HB3 H 2.836 0.030 2 55 12 12 CYS C C 175.605 0.300 1 56 12 12 CYS CA C 57.206 0.300 1 57 12 12 CYS CB C 30.138 0.300 1 58 12 12 CYS N N 128.132 0.300 1 59 13 13 PRO HA H 4.550 0.030 1 60 13 13 PRO HB2 H 2.385 0.030 2 61 13 13 PRO HB3 H 2.057 0.030 2 62 13 13 PRO HD2 H 4.407 0.030 2 63 13 13 PRO HD3 H 4.029 0.030 2 64 13 13 PRO HG2 H 2.224 0.030 2 65 13 13 PRO HG3 H 1.977 0.030 2 66 13 13 PRO C C 176.583 0.300 1 67 13 13 PRO CA C 64.136 0.300 1 68 13 13 PRO CB C 32.190 0.300 1 69 13 13 PRO CD C 51.566 0.300 1 70 13 13 PRO CG C 26.777 0.300 1 71 14 14 VAL H H 9.050 0.030 1 72 14 14 VAL HA H 3.917 0.030 1 73 14 14 VAL HB H 0.824 0.030 1 74 14 14 VAL HG1 H 0.624 0.030 1 75 14 14 VAL HG2 H 0.516 0.030 1 76 14 14 VAL C C 176.462 0.300 1 77 14 14 VAL CA C 64.422 0.300 1 78 14 14 VAL CB C 32.949 0.300 1 79 14 14 VAL CG1 C 21.387 0.300 2 80 14 14 VAL CG2 C 21.345 0.300 2 81 14 14 VAL N N 121.834 0.300 1 82 15 15 CYS H H 8.393 0.030 1 83 15 15 CYS HA H 5.185 0.030 1 84 15 15 CYS HB2 H 3.504 0.030 2 85 15 15 CYS HB3 H 2.919 0.030 2 86 15 15 CYS C C 175.067 0.300 1 87 15 15 CYS CA C 58.336 0.300 1 88 15 15 CYS CB C 32.018 0.300 1 89 15 15 CYS N N 118.913 0.300 1 90 16 16 GLU H H 8.160 0.030 1 91 16 16 GLU HA H 4.182 0.030 1 92 16 16 GLU HB2 H 2.245 0.030 1 93 16 16 GLU HB3 H 2.245 0.030 1 94 16 16 GLU HG2 H 2.143 0.030 1 95 16 16 GLU HG3 H 2.143 0.030 1 96 16 16 GLU C C 175.757 0.300 1 97 16 16 GLU CA C 58.475 0.300 1 98 16 16 GLU CB C 28.009 0.300 1 99 16 16 GLU CG C 36.788 0.300 1 100 16 16 GLU N N 116.514 0.300 1 101 17 17 LYS H H 8.020 0.030 1 102 17 17 LYS HA H 4.059 0.030 1 103 17 17 LYS HB2 H 1.509 0.030 2 104 17 17 LYS HB3 H 1.273 0.030 2 105 17 17 LYS HD2 H 1.568 0.030 2 106 17 17 LYS HD3 H 1.511 0.030 2 107 17 17 LYS HE2 H 3.003 0.030 2 108 17 17 LYS HE3 H 2.916 0.030 2 109 17 17 LYS HG2 H 1.469 0.030 2 110 17 17 LYS HG3 H 1.167 0.030 2 111 17 17 LYS C C 174.902 0.300 1 112 17 17 LYS CA C 58.050 0.300 1 113 17 17 LYS CB C 33.852 0.300 1 114 17 17 LYS CD C 29.280 0.300 1 115 17 17 LYS CE C 42.308 0.300 1 116 17 17 LYS CG C 26.162 0.300 1 117 17 17 LYS N N 123.151 0.300 1 118 18 18 SER H H 7.903 0.030 1 119 18 18 SER HA H 5.169 0.030 1 120 18 18 SER HB2 H 3.600 0.030 1 121 18 18 SER HB3 H 3.600 0.030 1 122 18 18 SER C C 173.274 0.300 1 123 18 18 SER CA C 57.216 0.300 1 124 18 18 SER CB C 65.465 0.300 1 125 18 18 SER N N 115.696 0.300 1 126 19 19 PHE H H 8.802 0.030 1 127 19 19 PHE HA H 4.849 0.030 1 128 19 19 PHE HB2 H 3.239 0.030 2 129 19 19 PHE HB3 H 2.658 0.030 2 130 19 19 PHE HD1 H 7.168 0.030 1 131 19 19 PHE HD2 H 7.168 0.030 1 132 19 19 PHE HE1 H 6.767 0.030 1 133 19 19 PHE HE2 H 6.767 0.030 1 134 19 19 PHE HZ H 6.345 0.030 1 135 19 19 PHE C C 176.042 0.300 1 136 19 19 PHE CA C 56.988 0.300 1 137 19 19 PHE CB C 44.851 0.300 1 138 19 19 PHE CD1 C 132.375 0.300 1 139 19 19 PHE CD2 C 132.375 0.300 1 140 19 19 PHE CE1 C 130.562 0.300 1 141 19 19 PHE CE2 C 130.562 0.300 1 142 19 19 PHE CZ C 128.591 0.300 1 143 19 19 PHE N N 119.011 0.300 1 144 20 20 SER HA H 4.754 0.030 1 145 20 20 SER HB2 H 4.166 0.030 2 146 20 20 SER HB3 H 3.965 0.030 2 147 20 20 SER C C 173.929 0.300 1 148 20 20 SER CA C 59.321 0.300 1 149 20 20 SER CB C 64.316 0.300 1 150 21 21 GLU H H 6.966 0.030 1 151 21 21 GLU HA H 4.742 0.030 1 152 21 21 GLU HB2 H 2.267 0.030 2 153 21 21 GLU HB3 H 1.732 0.030 2 154 21 21 GLU HG2 H 2.357 0.030 2 155 21 21 GLU HG3 H 2.268 0.030 2 156 21 21 GLU C C 175.983 0.300 1 157 21 21 GLU CA C 54.739 0.300 1 158 21 21 GLU CB C 34.512 0.300 1 159 21 21 GLU CG C 36.081 0.300 1 160 21 21 GLU N N 115.448 0.300 1 161 22 22 ASP H H 8.687 0.030 1 162 22 22 ASP HA H 3.696 0.030 1 163 22 22 ASP HB2 H 2.392 0.030 2 164 22 22 ASP HB3 H 2.333 0.030 2 165 22 22 ASP C C 178.305 0.300 1 166 22 22 ASP CA C 56.620 0.300 1 167 22 22 ASP CB C 41.226 0.300 1 168 22 22 ASP N N 126.148 0.300 1 169 23 23 ARG H H 8.776 0.030 1 170 23 23 ARG HA H 3.976 0.030 1 171 23 23 ARG HB2 H 1.890 0.030 2 172 23 23 ARG HB3 H 1.766 0.030 2 173 23 23 ARG HD2 H 3.190 0.030 2 174 23 23 ARG HD3 H 3.135 0.030 2 175 23 23 ARG HG2 H 1.513 0.030 2 176 23 23 ARG HG3 H 1.482 0.030 2 177 23 23 ARG C C 178.267 0.300 1 178 23 23 ARG CA C 58.810 0.300 1 179 23 23 ARG CB C 29.321 0.300 1 180 23 23 ARG CD C 43.246 0.300 1 181 23 23 ARG CG C 27.221 0.300 1 182 23 23 ARG N N 116.394 0.300 1 183 24 24 LEU H H 6.825 0.030 1 184 24 24 LEU HA H 4.148 0.030 1 185 24 24 LEU HB2 H 1.877 0.030 2 186 24 24 LEU HB3 H 1.450 0.030 2 187 24 24 LEU HD1 H 1.148 0.030 1 188 24 24 LEU HD2 H 0.889 0.030 1 189 24 24 LEU HG H 1.571 0.030 1 190 24 24 LEU C C 179.274 0.300 1 191 24 24 LEU CA C 56.290 0.300 1 192 24 24 LEU CB C 41.979 0.300 1 193 24 24 LEU CD1 C 26.012 0.300 2 194 24 24 LEU CD2 C 21.875 0.300 2 195 24 24 LEU CG C 27.455 0.300 1 196 24 24 LEU N N 116.910 0.300 1 197 25 25 ILE H H 7.325 0.030 1 198 25 25 ILE HA H 3.473 0.030 1 199 25 25 ILE HB H 1.766 0.030 1 200 25 25 ILE HD1 H 0.976 0.030 1 201 25 25 ILE HG12 H 1.233 0.030 2 202 25 25 ILE HG13 H 1.363 0.030 2 203 25 25 ILE HG2 H 1.066 0.030 1 204 25 25 ILE C C 176.680 0.300 1 205 25 25 ILE CA C 62.626 0.300 1 206 25 25 ILE CB C 36.830 0.300 1 207 25 25 ILE CD1 C 13.818 0.300 1 208 25 25 ILE CG1 C 29.692 0.300 1 209 25 25 ILE CG2 C 18.294 0.300 1 210 25 25 ILE N N 119.570 0.300 1 211 26 26 LYS H H 7.828 0.030 1 212 26 26 LYS HA H 3.894 0.030 1 213 26 26 LYS HB2 H 1.763 0.030 1 214 26 26 LYS HB3 H 1.763 0.030 1 215 26 26 LYS HD2 H 1.584 0.030 2 216 26 26 LYS HD3 H 1.539 0.030 2 217 26 26 LYS HE2 H 2.946 0.030 1 218 26 26 LYS HE3 H 2.946 0.030 1 219 26 26 LYS HG2 H 1.502 0.030 2 220 26 26 LYS HG3 H 1.381 0.030 2 221 26 26 LYS C C 179.695 0.300 1 222 26 26 LYS CA C 60.157 0.300 1 223 26 26 LYS CB C 32.040 0.300 1 224 26 26 LYS CD C 28.753 0.300 1 225 26 26 LYS CE C 42.013 0.300 1 226 26 26 LYS CG C 25.902 0.300 1 227 26 26 LYS N N 122.044 0.300 1 228 27 27 SER H H 7.577 0.030 1 229 27 27 SER HA H 4.182 0.030 1 230 27 27 SER HB2 H 3.893 0.030 2 231 27 27 SER HB3 H 3.841 0.030 2 232 27 27 SER C C 176.422 0.300 1 233 27 27 SER CA C 61.122 0.300 1 234 27 27 SER CB C 62.670 0.300 1 235 27 27 SER N N 113.029 0.300 1 236 28 28 HIS H H 7.687 0.030 1 237 28 28 HIS HA H 4.154 0.030 1 238 28 28 HIS HB2 H 3.226 0.030 2 239 28 28 HIS HB3 H 2.860 0.030 2 240 28 28 HIS HD2 H 7.280 0.030 1 241 28 28 HIS HE1 H 8.012 0.030 1 242 28 28 HIS C C 177.270 0.300 1 243 28 28 HIS CA C 59.726 0.300 1 244 28 28 HIS CB C 28.202 0.300 1 245 28 28 HIS CD2 C 127.918 0.300 1 246 28 28 HIS CE1 C 139.283 0.300 1 247 28 28 HIS N N 121.268 0.300 1 248 29 29 ILE H H 8.587 0.030 1 249 29 29 ILE HA H 3.440 0.030 1 250 29 29 ILE HB H 1.870 0.030 1 251 29 29 ILE HD1 H 1.039 0.030 1 252 29 29 ILE HG12 H 2.240 0.030 2 253 29 29 ILE HG13 H 1.405 0.030 2 254 29 29 ILE HG2 H 1.009 0.030 1 255 29 29 ILE C C 177.354 0.300 1 256 29 29 ILE CA C 66.473 0.300 1 257 29 29 ILE CB C 38.549 0.300 1 258 29 29 ILE CD1 C 14.492 0.300 1 259 29 29 ILE CG1 C 30.681 0.300 1 260 29 29 ILE CG2 C 17.716 0.300 1 261 29 29 ILE N N 120.671 0.300 1 262 30 30 LYS H H 7.484 0.030 1 263 30 30 LYS HA H 3.998 0.030 1 264 30 30 LYS HB2 H 1.882 0.030 1 265 30 30 LYS HB3 H 1.882 0.030 1 266 30 30 LYS HD2 H 1.676 0.030 1 267 30 30 LYS HD3 H 1.676 0.030 1 268 30 30 LYS HE2 H 2.950 0.030 1 269 30 30 LYS HE3 H 2.950 0.030 1 270 30 30 LYS HG2 H 1.487 0.030 2 271 30 30 LYS HG3 H 1.437 0.030 2 272 30 30 LYS C C 178.202 0.300 1 273 30 30 LYS CA C 58.845 0.300 1 274 30 30 LYS CB C 32.493 0.300 1 275 30 30 LYS CD C 28.968 0.300 1 276 30 30 LYS CE C 42.080 0.300 1 277 30 30 LYS CG C 24.778 0.300 1 278 30 30 LYS N N 117.511 0.300 1 279 31 31 THR H H 7.738 0.030 1 280 31 31 THR HA H 4.031 0.030 1 281 31 31 THR HB H 4.038 0.030 1 282 31 31 THR HG2 H 1.169 0.030 1 283 31 31 THR C C 175.808 0.300 1 284 31 31 THR CA C 64.454 0.300 1 285 31 31 THR CB C 69.748 0.300 1 286 31 31 THR CG2 C 21.473 0.300 1 287 31 31 THR N N 107.788 0.300 1 288 32 32 ASN H H 8.043 0.030 1 289 32 32 ASN HA H 4.465 0.030 1 290 32 32 ASN HB2 H 1.597 0.030 2 291 32 32 ASN HB3 H 1.380 0.030 2 292 32 32 ASN HD21 H 7.262 0.030 2 293 32 32 ASN HD22 H 7.054 0.030 2 294 32 32 ASN C C 174.316 0.300 1 295 32 32 ASN CA C 54.730 0.300 1 296 32 32 ASN CB C 38.590 0.300 1 297 32 32 ASN N N 116.765 0.300 1 298 32 32 ASN ND2 N 113.964 0.300 1 299 33 33 HIS H H 8.063 0.030 1 300 33 33 HIS HA H 5.552 0.030 1 301 33 33 HIS HB2 H 3.368 0.030 2 302 33 33 HIS HB3 H 3.051 0.030 2 303 33 33 HIS HD2 H 6.621 0.030 1 304 33 33 HIS HE1 H 8.082 0.030 1 305 33 33 HIS C C 172.182 0.300 1 306 33 33 HIS CA C 51.566 0.300 1 307 33 33 HIS CB C 28.621 0.300 1 308 33 33 HIS CD2 C 128.056 0.300 1 309 33 33 HIS CE1 C 139.365 0.300 1 310 33 33 HIS N N 116.383 0.300 1 311 34 34 PRO HA H 4.380 0.030 1 312 34 34 PRO HB2 H 2.354 0.030 2 313 34 34 PRO HB3 H 2.008 0.030 2 314 34 34 PRO HD2 H 3.648 0.030 2 315 34 34 PRO HD3 H 3.139 0.030 2 316 34 34 PRO HG2 H 1.966 0.030 1 317 34 34 PRO HG3 H 1.966 0.030 1 318 34 34 PRO C C 177.291 0.300 1 319 34 34 PRO CA C 64.478 0.300 1 320 34 34 PRO CB C 31.655 0.300 1 321 34 34 PRO CD C 50.418 0.300 1 322 34 34 PRO CG C 27.246 0.300 1 323 35 35 GLU H H 9.769 0.030 1 324 35 35 GLU HA H 4.294 0.030 1 325 35 35 GLU HB2 H 2.096 0.030 2 326 35 35 GLU HB3 H 2.022 0.030 2 327 35 35 GLU HG2 H 2.420 0.030 2 328 35 35 GLU HG3 H 2.185 0.030 2 329 35 35 GLU C C 176.923 0.300 1 330 35 35 GLU CA C 57.577 0.300 1 331 35 35 GLU CB C 28.394 0.300 1 332 35 35 GLU CG C 35.676 0.300 1 333 35 35 GLU N N 120.124 0.300 1 334 36 36 VAL H H 7.869 0.030 1 335 36 36 VAL HA H 4.225 0.030 1 336 36 36 VAL HB H 2.238 0.030 1 337 36 36 VAL HG1 H 0.930 0.030 1 338 36 36 VAL HG2 H 0.916 0.030 1 339 36 36 VAL C C 175.149 0.300 1 340 36 36 VAL CA C 62.282 0.300 1 341 36 36 VAL CB C 31.875 0.300 1 342 36 36 VAL CG1 C 21.443 0.300 2 343 36 36 VAL CG2 C 21.107 0.300 2 344 36 36 VAL N N 120.921 0.300 1 345 37 37 SER H H 7.836 0.030 1 346 37 37 SER HA H 4.247 0.030 1 347 37 37 SER HB2 H 3.833 0.030 1 348 37 37 SER HB3 H 3.833 0.030 1 349 37 37 SER C C 178.712 0.300 1 350 37 37 SER CA C 60.062 0.300 1 351 37 37 SER CB C 65.036 0.300 1 352 37 37 SER N N 125.324 0.300 1 stop_ save_