data_11481 ####################### # 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 11481 _BMRB_flat_file_name bmr11481.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" 192 "13C chemical shifts" 145 "15N chemical shifts" 30 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 ; GSSGSSGRAMKCPYCDFYFM KNGSDLQRHIWAHEGVK ; 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 ARG 9 9 ALA 10 10 MET 11 11 LYS 12 12 CYS 13 13 PRO 14 14 TYR 15 15 CYS 16 16 ASP 17 17 PHE 18 18 TYR 19 19 PHE 20 20 MET 21 21 LYS 22 22 ASN 23 23 GLY 24 24 SER 25 25 ASP 26 26 LEU 27 27 GLN 28 28 ARG 29 29 HIS 30 30 ILE 31 31 TRP 32 32 ALA 33 33 HIS 34 34 GLU 35 35 GLY 36 36 VAL 37 37 LYS 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 2ELP "Solution Structure Of The 13th C2h2 Zinc Finger Of Human Zinc Finger Protein 406" 100.00 37 100.00 100.00 1.12e-18 PDB 2RV1 "Solution Structures Of The Dna-binding Domain (zf13) Of Immune-related Zinc-finger Protein Zfat" 100.00 37 100.00 100.00 1.12e-18 DBJ BAA96009 "KIAA1485 protein [Homo sapiens]" 81.08 1104 100.00 100.00 1.87e-13 DBJ BAD12567 "ZFAT-1 [Homo sapiens]" 81.08 1243 100.00 100.00 1.43e-13 DBJ BAD12568 "ZFAT-2 [Homo sapiens]" 81.08 1231 100.00 100.00 1.58e-13 DBJ BAD12569 "ZFAT-3 [Homo sapiens]" 81.08 1231 100.00 100.00 1.58e-13 DBJ BAG72872 "zinc finger and AT hook domain containing protein [synthetic construct]" 81.08 1243 100.00 100.00 1.57e-13 GB AAH12989 "ZFAT protein, partial [Homo sapiens]" 81.08 1190 100.00 100.00 4.42e-13 GB AAH25423 "ZFAT protein, partial [Homo sapiens]" 81.08 1169 100.00 100.00 1.90e-13 GB AAH53930 "Zinc finger and AT hook domain containing [Mus musculus]" 81.08 1219 100.00 100.00 1.77e-13 GB AAH98405 "ZFAT protein, partial [Homo sapiens]" 81.08 1204 100.00 100.00 6.09e-13 GB AAI01767 "Zinc finger and AT hook domain containing [Homo sapiens]" 81.08 1243 100.00 100.00 1.51e-13 REF NP_001025110 "zinc finger protein ZFAT isoform 2 [Homo sapiens]" 81.08 1231 100.00 100.00 1.61e-13 REF NP_001128429 "zinc finger protein ZFAT [Rattus norvegicus]" 81.08 1218 100.00 100.00 1.67e-13 REF NP_001139360 "zinc finger protein ZFAT isoform 1 [Mus musculus]" 81.08 1237 100.00 100.00 1.85e-13 REF NP_001161055 "zinc finger protein ZFAT isoform 2 [Homo sapiens]" 81.08 1231 100.00 100.00 1.61e-13 REF NP_001167628 "zinc finger protein ZFAT isoform 3 [Homo sapiens]" 81.08 1181 100.00 100.00 1.75e-13 SP Q7TS63 "RecName: Full=Zinc finger protein ZFAT; AltName: Full=Zinc finger protein 406" 81.08 1237 100.00 100.00 1.85e-13 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 1.51e-13 TPG DAA22834 "TPA: zinc finger protein 406-like [Bos taurus]" 81.08 1519 100.00 100.00 4.99e-13 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 . P060718-07 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 1.12 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 3.967 0.030 1 2 7 7 GLY HA3 H 3.967 0.030 1 3 7 7 GLY C C 173.919 0.300 1 4 7 7 GLY CA C 45.461 0.300 1 5 8 8 ARG H H 8.088 0.030 1 6 8 8 ARG HA H 4.346 0.030 1 7 8 8 ARG HB2 H 1.834 0.030 2 8 8 8 ARG HB3 H 1.717 0.030 2 9 8 8 ARG HD2 H 3.149 0.030 1 10 8 8 ARG HD3 H 3.149 0.030 1 11 8 8 ARG HG2 H 1.590 0.030 1 12 8 8 ARG HG3 H 1.590 0.030 1 13 8 8 ARG C C 175.556 0.300 1 14 8 8 ARG CA C 55.791 0.300 1 15 8 8 ARG CB C 31.084 0.300 1 16 8 8 ARG CD C 43.407 0.300 1 17 8 8 ARG CG C 27.058 0.300 1 18 8 8 ARG N N 120.330 0.300 1 19 9 9 ALA H H 8.227 0.030 1 20 9 9 ALA HA H 4.503 0.030 1 21 9 9 ALA HB H 1.352 0.030 1 22 9 9 ALA C C 177.116 0.300 1 23 9 9 ALA CA C 52.349 0.300 1 24 9 9 ALA CB C 20.082 0.300 1 25 9 9 ALA N N 124.659 0.300 1 26 10 10 MET H H 8.758 0.030 1 27 10 10 MET HA H 4.627 0.030 1 28 10 10 MET HB2 H 2.027 0.030 2 29 10 10 MET HB3 H 1.953 0.030 2 30 10 10 MET HE H 2.043 0.030 1 31 10 10 MET HG2 H 2.496 0.030 1 32 10 10 MET HG3 H 2.496 0.030 1 33 10 10 MET C C 173.862 0.300 1 34 10 10 MET CA C 54.585 0.300 1 35 10 10 MET CB C 34.460 0.300 1 36 10 10 MET CE C 17.120 0.300 1 37 10 10 MET CG C 31.929 0.300 1 38 10 10 MET N N 119.911 0.300 1 39 11 11 LYS H H 8.270 0.030 1 40 11 11 LYS HA H 4.110 0.030 1 41 11 11 LYS HB2 H 1.419 0.030 2 42 11 11 LYS HB3 H 1.287 0.030 2 43 11 11 LYS HD2 H 1.659 0.030 2 44 11 11 LYS HD3 H 1.390 0.030 2 45 11 11 LYS HE2 H 2.895 0.030 1 46 11 11 LYS HE3 H 2.895 0.030 1 47 11 11 LYS HG2 H 0.641 0.030 2 48 11 11 LYS HG3 H 1.661 0.030 2 49 11 11 LYS C C 175.967 0.300 1 50 11 11 LYS CA C 55.051 0.300 1 51 11 11 LYS CB C 34.172 0.300 1 52 11 11 LYS CD C 28.937 0.300 1 53 11 11 LYS CE C 41.705 0.300 1 54 11 11 LYS CG C 23.224 0.300 1 55 11 11 LYS N N 124.179 0.300 1 56 12 12 CYS H H 8.751 0.030 1 57 12 12 CYS HA H 4.491 0.030 1 58 12 12 CYS HB2 H 3.460 0.030 2 59 12 12 CYS HB3 H 2.864 0.030 2 60 12 12 CYS C C 174.476 0.300 1 61 12 12 CYS CA C 57.759 0.300 1 62 12 12 CYS CB C 30.563 0.300 1 63 12 12 CYS N N 129.644 0.300 1 64 13 13 PRO HA H 4.292 0.030 1 65 13 13 PRO HB2 H 2.029 0.030 2 66 13 13 PRO HB3 H 0.982 0.030 2 67 13 13 PRO HD2 H 4.148 0.030 2 68 13 13 PRO HD3 H 3.801 0.030 2 69 13 13 PRO HG2 H 1.827 0.030 2 70 13 13 PRO HG3 H 1.442 0.030 2 71 13 13 PRO C C 177.422 0.300 1 72 13 13 PRO CA C 64.066 0.300 1 73 13 13 PRO CB C 31.739 0.300 1 74 13 13 PRO CD C 51.111 0.300 1 75 13 13 PRO CG C 26.533 0.300 1 76 14 14 TYR H H 9.659 0.030 1 77 14 14 TYR HA H 4.514 0.030 1 78 14 14 TYR HB2 H 2.571 0.030 2 79 14 14 TYR HB3 H 1.326 0.030 2 80 14 14 TYR HD1 H 6.884 0.030 1 81 14 14 TYR HD2 H 6.884 0.030 1 82 14 14 TYR HE1 H 6.809 0.030 1 83 14 14 TYR HE2 H 6.809 0.030 1 84 14 14 TYR C C 175.311 0.300 1 85 14 14 TYR CA C 57.819 0.300 1 86 14 14 TYR CB C 38.529 0.300 1 87 14 14 TYR CD1 C 132.720 0.300 1 88 14 14 TYR CD2 C 132.720 0.300 1 89 14 14 TYR CE1 C 118.079 0.300 1 90 14 14 TYR CE2 C 118.079 0.300 1 91 14 14 TYR N N 119.509 0.300 1 92 15 15 CYS H H 7.876 0.030 1 93 15 15 CYS HA H 5.009 0.030 1 94 15 15 CYS HB2 H 3.343 0.030 2 95 15 15 CYS HB3 H 3.119 0.030 2 96 15 15 CYS C C 172.904 0.300 1 97 15 15 CYS CA C 58.615 0.300 1 98 15 15 CYS CB C 30.542 0.300 1 99 15 15 CYS N N 120.172 0.300 1 100 16 16 ASP H H 8.063 0.030 1 101 16 16 ASP HA H 4.658 0.030 1 102 16 16 ASP HB2 H 2.864 0.030 2 103 16 16 ASP HB3 H 2.573 0.030 2 104 16 16 ASP C C 175.199 0.300 1 105 16 16 ASP CA C 54.767 0.300 1 106 16 16 ASP CB C 40.676 0.300 1 107 16 16 ASP N N 116.232 0.300 1 108 17 17 PHE H H 8.379 0.030 1 109 17 17 PHE HA H 4.414 0.030 1 110 17 17 PHE HB2 H 3.029 0.030 2 111 17 17 PHE HB3 H 2.547 0.030 2 112 17 17 PHE HD1 H 6.962 0.030 1 113 17 17 PHE HD2 H 6.962 0.030 1 114 17 17 PHE HE1 H 7.229 0.030 1 115 17 17 PHE HE2 H 7.229 0.030 1 116 17 17 PHE HZ H 7.279 0.030 1 117 17 17 PHE C C 173.818 0.300 1 118 17 17 PHE CA C 58.747 0.300 1 119 17 17 PHE CB C 40.863 0.300 1 120 17 17 PHE CD1 C 131.270 0.300 1 121 17 17 PHE CD2 C 131.270 0.300 1 122 17 17 PHE CE1 C 131.302 0.300 1 123 17 17 PHE CE2 C 131.302 0.300 1 124 17 17 PHE CZ C 129.653 0.300 1 125 17 17 PHE N N 122.993 0.300 1 126 18 18 TYR H H 7.781 0.030 1 127 18 18 TYR HA H 4.867 0.030 1 128 18 18 TYR HB2 H 2.536 0.030 2 129 18 18 TYR HB3 H 2.576 0.030 2 130 18 18 TYR HD1 H 6.882 0.030 1 131 18 18 TYR HD2 H 6.882 0.030 1 132 18 18 TYR HE1 H 6.707 0.030 1 133 18 18 TYR HE2 H 6.707 0.030 1 134 18 18 TYR C C 174.949 0.300 1 135 18 18 TYR CA C 57.041 0.300 1 136 18 18 TYR CB C 40.868 0.300 1 137 18 18 TYR CD1 C 132.882 0.300 1 138 18 18 TYR CD2 C 132.882 0.300 1 139 18 18 TYR CE1 C 117.932 0.300 1 140 18 18 TYR CE2 C 117.932 0.300 1 141 18 18 TYR N N 121.147 0.300 1 142 19 19 PHE H H 8.585 0.030 1 143 19 19 PHE HA H 4.555 0.030 1 144 19 19 PHE HB2 H 3.184 0.030 2 145 19 19 PHE HB3 H 2.701 0.030 2 146 19 19 PHE HD1 H 7.137 0.030 1 147 19 19 PHE HD2 H 7.137 0.030 1 148 19 19 PHE HE1 H 6.950 0.030 1 149 19 19 PHE HE2 H 6.950 0.030 1 150 19 19 PHE HZ H 6.753 0.030 1 151 19 19 PHE C C 175.190 0.300 1 152 19 19 PHE CA C 57.007 0.300 1 153 19 19 PHE CB C 42.298 0.300 1 154 19 19 PHE CD1 C 132.068 0.300 1 155 19 19 PHE CD2 C 132.068 0.300 1 156 19 19 PHE CE1 C 130.966 0.300 1 157 19 19 PHE CE2 C 130.966 0.300 1 158 19 19 PHE CZ C 129.167 0.300 1 159 19 19 PHE N N 120.134 0.300 1 160 20 20 MET H H 8.814 0.030 1 161 20 20 MET HA H 4.498 0.030 1 162 20 20 MET HB2 H 2.108 0.030 2 163 20 20 MET HB3 H 2.041 0.030 2 164 20 20 MET HE H 2.044 0.030 1 165 20 20 MET HG2 H 2.652 0.030 2 166 20 20 MET HG3 H 2.546 0.030 2 167 20 20 MET C C 176.594 0.300 1 168 20 20 MET CA C 55.853 0.300 1 169 20 20 MET CB C 32.920 0.300 1 170 20 20 MET CE C 17.203 0.300 1 171 20 20 MET CG C 32.329 0.300 1 172 20 20 MET N N 120.794 0.300 1 173 21 21 LYS H H 8.325 0.030 1 174 21 21 LYS HA H 4.282 0.030 1 175 21 21 LYS HB2 H 1.764 0.030 2 176 21 21 LYS HB3 H 1.860 0.030 2 177 21 21 LYS HD2 H 1.685 0.030 1 178 21 21 LYS HD3 H 1.685 0.030 1 179 21 21 LYS HE2 H 2.985 0.030 1 180 21 21 LYS HE3 H 2.985 0.030 1 181 21 21 LYS HG2 H 1.395 0.030 1 182 21 21 LYS HG3 H 1.395 0.030 1 183 21 21 LYS C C 176.135 0.300 1 184 21 21 LYS CA C 56.924 0.300 1 185 21 21 LYS CB C 33.572 0.300 1 186 21 21 LYS CD C 29.363 0.300 1 187 21 21 LYS CE C 42.161 0.300 1 188 21 21 LYS CG C 24.723 0.300 1 189 21 21 LYS N N 120.078 0.300 1 190 22 22 ASN HA H 4.690 0.030 1 191 22 22 ASN HB2 H 2.921 0.030 2 192 22 22 ASN HB3 H 2.858 0.030 2 193 22 22 ASN HD21 H 6.934 0.030 2 194 22 22 ASN HD22 H 7.637 0.030 2 195 22 22 ASN C C 175.373 0.300 1 196 22 22 ASN CA C 53.054 0.300 1 197 22 22 ASN CB C 38.263 0.300 1 198 22 22 ASN ND2 N 112.429 0.300 1 199 23 23 GLY H H 8.140 0.030 1 200 23 23 GLY CA C 45.558 0.300 1 201 23 23 GLY N N 109.019 0.300 1 202 24 24 SER HA H 4.300 0.030 1 203 24 24 SER HB2 H 3.947 0.030 2 204 24 24 SER HB3 H 3.901 0.030 2 205 24 24 SER C C 175.602 0.300 1 206 24 24 SER CA C 60.450 0.300 1 207 24 24 SER CB C 63.244 0.300 1 208 25 25 ASP H H 8.444 0.030 1 209 25 25 ASP HA H 4.428 0.030 1 210 25 25 ASP HB2 H 2.786 0.030 1 211 25 25 ASP HB3 H 2.786 0.030 1 212 25 25 ASP C C 177.952 0.300 1 213 25 25 ASP CA C 56.644 0.300 1 214 25 25 ASP CB C 40.468 0.300 1 215 25 25 ASP N N 121.491 0.300 1 216 26 26 LEU H H 7.986 0.030 1 217 26 26 LEU HA H 3.413 0.030 1 218 26 26 LEU HB2 H 1.716 0.030 2 219 26 26 LEU HB3 H 1.196 0.030 2 220 26 26 LEU HD1 H 0.662 0.030 1 221 26 26 LEU HD2 H 0.792 0.030 1 222 26 26 LEU HG H 1.291 0.030 1 223 26 26 LEU C C 177.644 0.300 1 224 26 26 LEU CA C 58.071 0.300 1 225 26 26 LEU CB C 41.015 0.300 1 226 26 26 LEU CD1 C 23.288 0.300 2 227 26 26 LEU CD2 C 26.084 0.300 2 228 26 26 LEU CG C 26.857 0.300 1 229 26 26 LEU N N 122.926 0.300 1 230 27 27 GLN H H 7.897 0.030 1 231 27 27 GLN HA H 3.636 0.030 1 232 27 27 GLN HB2 H 1.816 0.030 2 233 27 27 GLN HB3 H 1.670 0.030 2 234 27 27 GLN HE21 H 6.919 0.030 2 235 27 27 GLN HE22 H 6.748 0.030 2 236 27 27 GLN HG2 H 1.672 0.030 2 237 27 27 GLN HG3 H 1.554 0.030 2 238 27 27 GLN C C 177.794 0.300 1 239 27 27 GLN CA C 58.865 0.300 1 240 27 27 GLN CB C 28.110 0.300 1 241 27 27 GLN CG C 33.522 0.300 1 242 27 27 GLN N N 117.776 0.300 1 243 27 27 GLN NE2 N 112.991 0.300 1 244 28 28 ARG H H 7.985 0.030 1 245 28 28 ARG HA H 3.933 0.030 1 246 28 28 ARG HB2 H 1.867 0.030 1 247 28 28 ARG HB3 H 1.867 0.030 1 248 28 28 ARG HD2 H 3.243 0.030 1 249 28 28 ARG HD3 H 3.243 0.030 1 250 28 28 ARG HG2 H 1.806 0.030 2 251 28 28 ARG HG3 H 1.680 0.030 2 252 28 28 ARG C C 178.666 0.300 1 253 28 28 ARG CA C 59.174 0.300 1 254 28 28 ARG CB C 30.054 0.300 1 255 28 28 ARG CD C 43.375 0.300 1 256 28 28 ARG CG C 28.013 0.300 1 257 28 28 ARG N N 117.077 0.300 1 258 29 29 HIS H H 7.786 0.030 1 259 29 29 HIS HA H 4.106 0.030 1 260 29 29 HIS HB2 H 3.334 0.030 2 261 29 29 HIS HB3 H 2.991 0.030 2 262 29 29 HIS HD2 H 7.363 0.030 1 263 29 29 HIS HE1 H 7.452 0.030 1 264 29 29 HIS C C 177.338 0.300 1 265 29 29 HIS CA C 59.924 0.300 1 266 29 29 HIS CB C 28.311 0.300 1 267 29 29 HIS CD2 C 127.828 0.300 1 268 29 29 HIS CE1 C 139.030 0.300 1 269 29 29 HIS N N 119.964 0.300 1 270 30 30 ILE H H 8.542 0.030 1 271 30 30 ILE HA H 3.794 0.030 1 272 30 30 ILE HB H 1.936 0.030 1 273 30 30 ILE HD1 H 0.922 0.030 1 274 30 30 ILE HG12 H 2.031 0.030 2 275 30 30 ILE HG13 H 1.445 0.030 2 276 30 30 ILE HG2 H 1.074 0.030 1 277 30 30 ILE C C 178.930 0.300 1 278 30 30 ILE CA C 66.588 0.300 1 279 30 30 ILE CB C 37.842 0.300 1 280 30 30 ILE CD1 C 13.575 0.300 1 281 30 30 ILE CG1 C 30.144 0.300 1 282 30 30 ILE CG2 C 17.743 0.300 1 283 30 30 ILE N N 120.477 0.300 1 284 31 31 TRP H H 8.314 0.030 1 285 31 31 TRP HA H 4.576 0.030 1 286 31 31 TRP HB2 H 3.404 0.030 2 287 31 31 TRP HB3 H 3.278 0.030 2 288 31 31 TRP HD1 H 7.263 0.030 1 289 31 31 TRP HE1 H 10.055 0.030 1 290 31 31 TRP HE3 H 7.557 0.030 1 291 31 31 TRP HH2 H 7.164 0.030 1 292 31 31 TRP HZ2 H 7.426 0.030 1 293 31 31 TRP HZ3 H 7.079 0.030 1 294 31 31 TRP C C 178.522 0.300 1 295 31 31 TRP CA C 58.747 0.300 1 296 31 31 TRP CB C 28.577 0.300 1 297 31 31 TRP CD1 C 125.080 0.300 1 298 31 31 TRP CE3 C 120.673 0.300 1 299 31 31 TRP CH2 C 124.776 0.300 1 300 31 31 TRP CZ2 C 114.578 0.300 1 301 31 31 TRP CZ3 C 121.775 0.300 1 302 31 31 TRP N N 119.957 0.300 1 303 31 31 TRP NE1 N 128.263 0.300 1 304 32 32 ALA H H 7.709 0.030 1 305 32 32 ALA HA H 4.118 0.030 1 306 32 32 ALA HB H 1.296 0.030 1 307 32 32 ALA C C 180.317 0.300 1 308 32 32 ALA CA C 54.355 0.300 1 309 32 32 ALA CB C 17.583 0.300 1 310 32 32 ALA N N 120.934 0.300 1 311 33 33 HIS H H 7.409 0.030 1 312 33 33 HIS HA H 4.252 0.030 1 313 33 33 HIS HB2 H 3.182 0.030 2 314 33 33 HIS HB3 H 2.399 0.030 2 315 33 33 HIS HD2 H 6.702 0.030 1 316 33 33 HIS HE1 H 7.902 0.030 1 317 33 33 HIS C C 176.597 0.300 1 318 33 33 HIS CA C 58.189 0.300 1 319 33 33 HIS CB C 28.727 0.300 1 320 33 33 HIS CD2 C 128.419 0.300 1 321 33 33 HIS CE1 C 139.781 0.300 1 322 33 33 HIS N N 116.137 0.300 1 323 34 34 GLU H H 7.832 0.030 1 324 34 34 GLU HA H 4.097 0.030 1 325 34 34 GLU HB2 H 2.074 0.030 1 326 34 34 GLU HB3 H 2.074 0.030 1 327 34 34 GLU HG2 H 2.455 0.030 2 328 34 34 GLU HG3 H 2.189 0.030 2 329 34 34 GLU C C 177.053 0.300 1 330 34 34 GLU CA C 57.041 0.300 1 331 34 34 GLU CB C 30.423 0.300 1 332 34 34 GLU CG C 36.260 0.300 1 333 34 34 GLU N N 117.579 0.300 1 334 35 35 GLY H H 8.005 0.030 1 335 35 35 GLY HA2 H 3.794 0.030 1 336 35 35 GLY HA3 H 3.794 0.030 1 337 35 35 GLY C C 173.923 0.300 1 338 35 35 GLY CA C 45.516 0.300 1 339 35 35 GLY N N 108.199 0.300 1 340 36 36 VAL H H 7.718 0.030 1 341 36 36 VAL HA H 3.948 0.030 1 342 36 36 VAL HB H 1.890 0.030 1 343 36 36 VAL HG1 H 0.775 0.030 1 344 36 36 VAL HG2 H 0.661 0.030 1 345 36 36 VAL C C 175.153 0.300 1 346 36 36 VAL CA C 62.527 0.300 1 347 36 36 VAL CB C 32.580 0.300 1 348 36 36 VAL CG1 C 20.677 0.300 2 349 36 36 VAL CG2 C 20.911 0.300 2 350 36 36 VAL N N 119.952 0.300 1 351 37 37 LYS H H 7.843 0.030 1 352 37 37 LYS HA H 4.127 0.030 1 353 37 37 LYS HB2 H 1.643 0.030 2 354 37 37 LYS HB3 H 1.762 0.030 2 355 37 37 LYS HD2 H 1.585 0.030 1 356 37 37 LYS HD3 H 1.585 0.030 1 357 37 37 LYS HE2 H 2.896 0.030 1 358 37 37 LYS HE3 H 2.896 0.030 1 359 37 37 LYS HG2 H 1.310 0.030 1 360 37 37 LYS HG3 H 1.310 0.030 1 361 37 37 LYS C C 181.154 0.300 1 362 37 37 LYS CA C 57.434 0.300 1 363 37 37 LYS CB C 33.848 0.300 1 364 37 37 LYS CD C 29.012 0.300 1 365 37 37 LYS CE C 42.059 0.300 1 366 37 37 LYS CG C 24.592 0.300 1 367 37 37 LYS N N 130.526 0.300 1 stop_ save_