data_11369 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Solution structure of the C2H2 type zinc finger (region 507-539) of human Zinc finger protein 224 ; _BMRB_accession_number 11369 _BMRB_flat_file_name bmr11369.str _Entry_type original _Submission_date 2010-09-08 _Accession_date 2010-09-08 _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 Takahashi M. . . 2 Kuwasako K. . . 3 Tsuda K. . . 4 Tanabe W. . . 5 Harada T. . . 6 Watanabe S. . . 7 Tochio N. . . 8 Muto Y. . . 9 Kigawa T. . . 10 Yokoyama S. . . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 233 "13C chemical shifts" 166 "15N chemical shifts" 38 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2011-09-07 original author . stop_ _Original_release_date 2011-09-07 save_ ############################# # Citation for this entry # ############################# save_citation_1 _Saveframe_category entry_citation _Citation_full . _Citation_title ; Solution structure of the C2H2 type zinc finger (region 507-539)of human Zinc finger protein 224 ; _Citation_status 'in preparation' _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID ? loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Takahashi M. . . 2 Kuwasako K. . . 3 Tsuda K. . . 4 Tanabe W. . . 5 Harada T. . . 6 Watanabe S. . . 7 Tochio N. . . 8 Muto Y. . . 9 Kigawa T. . . 10 Yokoyama S. . . stop_ _Journal_abbreviation . _Journal_volume . _Journal_issue . _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first . _Page_last . _Year . _Details . save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name 'Zinc finger protein 224' _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label ZF-C2H2 $entity_1 'ZINC ION' $ZN stop_ _System_molecular_weight . _System_physical_state native _System_oligomer_state ? _System_paramagnetic no _System_thiol_state . _Database_query_date . _Details . save_ ######################## # Monomeric polymers # ######################## save_entity_1 _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common ZF-C2H2 _Molecular_mass . _Mol_thiol_state 'all other bound' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 46 _Mol_residue_sequence ; GSSGSSGTGEKPYKCEKCGK GYNSKFNLDMHQKVHTGERP SGPSSG ; loop_ _Residue_seq_code _Residue_label 1 GLY 2 SER 3 SER 4 GLY 5 SER 6 SER 7 GLY 8 THR 9 GLY 10 GLU 11 LYS 12 PRO 13 TYR 14 LYS 15 CYS 16 GLU 17 LYS 18 CYS 19 GLY 20 LYS 21 GLY 22 TYR 23 ASN 24 SER 25 LYS 26 PHE 27 ASN 28 LEU 29 ASP 30 MET 31 HIS 32 GLN 33 LYS 34 VAL 35 HIS 36 THR 37 GLY 38 GLU 39 ARG 40 PRO 41 SER 42 GLY 43 PRO 44 SER 45 SER 46 GLY stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date 2014-05-12 loop_ _Database_name _Database_accession_code _Database_entry_mol_name _Sequence_query_to_submitted_percentage _Sequence_subject_length _Sequence_identity _Sequence_positive _Sequence_homology_expectation_value PDB 2YSP "Solution Structure Of The C2h2 Type Zinc Finger (Region 507- 539) Of Human Zinc Finger Protein 224" 100.00 46 100.00 100.00 2.48e-23 stop_ save_ ############# # Ligands # ############# save_ZN _Saveframe_category ligand _Mol_type non-polymer _Name_common "ZN (ZINC ION)" _BMRB_code . _PDB_code ZN _Molecular_mass 65.409 _Mol_charge 2 _Mol_paramagnetic . _Mol_aromatic no _Details ; Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Tue Jun 9 16:52:42 2009 ; 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 $entity_1 human 9606 Eukaryota Metazoa Homo sapiens stop_ save_ ######################### # Experimental source # ######################### save_experimental_source _Saveframe_category experimental_source loop_ _Mol_label _Production_method _Host_organism_name_common _Genus _Species _Strain _Vector_name $entity_1 'cell free synthesis' 'E. coli' Escherichia coli . P061225-43 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Saveframe_category sample _Sample_type solution _Details ; about 1.0mM sample {U-15N,13C;} 20mM {d-Tris-HCl;} 100mM {NaCl;} 1mM {d-DTT;} 0.02% {NaN3;} 90% H2O, 10% D2O ; loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $entity_1 1.0 mM '[U-13C; U-15N]' d-Tris-HCl 20 mM 'natural abundance' NaCl 100 mM 'natural abundance' d-DTT 1 mM 'natural abundance' NaN3 0.02 % 'natural abundance' H2O 90 % . D2O 10 % . stop_ save_ ############################ # Computer software used # ############################ save_XWINNMR _Saveframe_category software _Name xwinnmr _Version 3.5 loop_ _Vendor _Address _Electronic_address Bruker . . stop_ loop_ _Task collection stop_ _Details . save_ save_NMRPipe _Saveframe_category software _Name NMRPipe _Version 20030801 loop_ _Vendor _Address _Electronic_address 'Delaglio, F.' . . stop_ loop_ _Task processing stop_ _Details . save_ save_NMRVIEW _Saveframe_category software _Name NMRView _Version 5.0.4 loop_ _Vendor _Address _Electronic_address 'Johnson, B.A.' . . stop_ loop_ _Task 'data analysis' stop_ _Details . save_ save_Kujira _Saveframe_category software _Name Kujira _Version 0.9820 loop_ _Vendor _Address _Electronic_address 'Kobayashi, N.' . . stop_ loop_ _Task 'data analysis' stop_ _Details . save_ save_CYANA _Saveframe_category software _Name CYANA _Version 2.0.17 loop_ _Vendor _Address _Electronic_address 'Guntert, P.' . . stop_ loop_ _Task refinement 'structure solution' stop_ _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model AVANCE _Field_strength 800 _Details . save_ ############################# # NMR applied experiments # ############################# save_3D_13C-separated_NOESY_1 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 13C-separated NOESY' _Sample_label $sample_1 save_ save_3D_15N-separated_NOESY_2 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 15N-separated NOESY' _Sample_label $sample_1 save_ ####################### # Sample conditions # ####################### save_condition_1 _Saveframe_category sample_conditions _Details . loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units 'ionic strength' 120 0.1 mM pH 7.0 0.05 pH pressure 1 0.001 atm temperature 298 0.1 K stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_reference_1 _Saveframe_category chemical_shift_reference _Details ; Chemical shift reference of 1H was based on the proton of water (4.784ppm at 298K) and then those of 15N and 13C were calculated based on their gyromagnetic ratios. ; loop_ _Mol_common_name _Atom_type _Atom_isotope_number _Atom_group _Chem_shift_units _Chem_shift_value _Reference_method _Reference_type _External_reference_sample_geometry _External_reference_location _External_reference_axis _Indirect_shift_ratio DSS C 13 'methyl protons' ppm 0.0 . indirect . . . 0.251449530 DSS H 1 'methyl protons' ppm 0.0 . indirect . . . 1.0 DSS N 15 'methyl protons' ppm 0.0 . indirect . . . 0.101329118 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_chemical_shift_1 _Saveframe_category assigned_chemical_shifts _Details . loop_ _Software_label $XWINNMR $NMRPipe $NMRVIEW $Kujira $CYANA stop_ loop_ _Experiment_label '3D 13C-separated NOESY' '3D 15N-separated NOESY' stop_ loop_ _Sample_label $sample_1 stop_ _Sample_conditions_label $condition_1 _Chem_shift_reference_set_label $reference_1 _Mol_system_component_name ZF-C2H2 _Text_data_format . _Text_data . loop_ _Atom_shift_assign_ID _Residue_author_seq_code _Residue_seq_code _Residue_label _Atom_name _Atom_type _Chem_shift_value _Chem_shift_value_error _Chem_shift_ambiguity_code 1 7 7 GLY C C 174.491 0.300 1 2 7 7 GLY CA C 45.410 0.300 1 3 8 8 THR H H 8.112 0.030 1 4 8 8 THR HA H 4.347 0.030 1 5 8 8 THR HB H 4.276 0.030 1 6 8 8 THR HG2 H 1.180 0.030 1 7 8 8 THR C C 175.264 0.300 1 8 8 8 THR CA C 61.915 0.300 1 9 8 8 THR CB C 69.730 0.300 1 10 8 8 THR CG2 C 21.538 0.300 1 11 8 8 THR N N 112.805 0.300 1 12 9 9 GLY H H 8.396 0.030 1 13 9 9 GLY HA2 H 3.920 0.030 1 14 9 9 GLY HA3 H 3.920 0.030 1 15 9 9 GLY CA C 45.217 0.300 1 16 9 9 GLY N N 111.016 0.300 1 17 10 10 GLU H H 8.149 0.030 1 18 10 10 GLU HA H 4.234 0.030 1 19 10 10 GLU HB2 H 1.952 0.030 2 20 10 10 GLU HB3 H 1.865 0.030 2 21 10 10 GLU HG2 H 2.227 0.030 2 22 10 10 GLU HG3 H 2.181 0.030 2 23 10 10 GLU CA C 56.438 0.300 1 24 10 10 GLU CB C 30.458 0.300 1 25 10 10 GLU CG C 36.148 0.300 1 26 10 10 GLU N N 120.371 0.300 1 27 11 11 LYS H H 8.391 0.030 1 28 11 11 LYS HA H 4.367 0.030 1 29 11 11 LYS HB2 H 1.503 0.030 1 30 11 11 LYS HB3 H 1.503 0.030 1 31 11 11 LYS HD2 H 1.458 0.030 2 32 11 11 LYS HD3 H 1.335 0.030 2 33 11 11 LYS HE2 H 2.886 0.030 1 34 11 11 LYS HE3 H 2.886 0.030 1 35 11 11 LYS HG2 H 1.291 0.030 2 36 11 11 LYS HG3 H 1.201 0.030 2 37 11 11 LYS CA C 54.042 0.300 1 38 11 11 LYS CB C 32.245 0.300 1 39 11 11 LYS CD C 29.219 0.300 1 40 11 11 LYS CE C 42.376 0.300 1 41 11 11 LYS CG C 25.106 0.300 1 42 11 11 LYS N N 122.470 0.300 1 43 12 12 PRO HA H 4.213 0.030 1 44 12 12 PRO HB2 H 2.048 0.030 2 45 12 12 PRO HB3 H 1.373 0.030 2 46 12 12 PRO HD2 H 3.774 0.030 2 47 12 12 PRO HD3 H 3.655 0.030 2 48 12 12 PRO HG2 H 1.977 0.030 2 49 12 12 PRO HG3 H 1.873 0.030 2 50 12 12 PRO C C 176.375 0.300 1 51 12 12 PRO CA C 63.976 0.300 1 52 12 12 PRO CB C 31.967 0.300 1 53 12 12 PRO CD C 50.624 0.300 1 54 12 12 PRO CG C 27.025 0.300 1 55 13 13 TYR H H 7.739 0.030 1 56 13 13 TYR HA H 4.618 0.030 1 57 13 13 TYR HB2 H 2.890 0.030 2 58 13 13 TYR HB3 H 2.720 0.030 2 59 13 13 TYR HD1 H 6.979 0.030 1 60 13 13 TYR HD2 H 6.979 0.030 1 61 13 13 TYR HE1 H 6.825 0.030 1 62 13 13 TYR HE2 H 6.825 0.030 1 63 13 13 TYR C C 174.353 0.300 1 64 13 13 TYR CA C 57.360 0.300 1 65 13 13 TYR CB C 38.550 0.300 1 66 13 13 TYR CD1 C 133.021 0.300 1 67 13 13 TYR CD2 C 133.021 0.300 1 68 13 13 TYR CE1 C 118.167 0.300 1 69 13 13 TYR CE2 C 118.167 0.300 1 70 13 13 TYR N N 117.888 0.300 1 71 14 14 LYS H H 8.501 0.030 1 72 14 14 LYS HA H 4.973 0.030 1 73 14 14 LYS HB2 H 1.611 0.030 2 74 14 14 LYS HB3 H 1.559 0.030 2 75 14 14 LYS HD2 H 1.566 0.030 1 76 14 14 LYS HD3 H 1.566 0.030 1 77 14 14 LYS HE2 H 2.925 0.030 1 78 14 14 LYS HE3 H 2.925 0.030 1 79 14 14 LYS HG2 H 1.217 0.030 2 80 14 14 LYS HG3 H 1.132 0.030 2 81 14 14 LYS C C 175.403 0.300 1 82 14 14 LYS CA C 54.865 0.300 1 83 14 14 LYS CB C 35.100 0.300 1 84 14 14 LYS CD C 29.218 0.300 1 85 14 14 LYS CE C 41.970 0.300 1 86 14 14 LYS CG C 24.622 0.300 1 87 14 14 LYS N N 124.097 0.300 1 88 15 15 CYS H H 9.096 0.030 1 89 15 15 CYS HA H 4.480 0.030 1 90 15 15 CYS HB2 H 3.393 0.030 2 91 15 15 CYS HB3 H 2.878 0.030 2 92 15 15 CYS C C 177.423 0.300 1 93 15 15 CYS CA C 59.760 0.300 1 94 15 15 CYS CB C 29.631 0.300 1 95 15 15 CYS N N 126.282 0.300 1 96 16 16 GLU H H 9.681 0.030 1 97 16 16 GLU HA H 4.179 0.030 1 98 16 16 GLU HB2 H 2.162 0.030 2 99 16 16 GLU HB3 H 2.087 0.030 2 100 16 16 GLU HG2 H 2.428 0.030 2 101 16 16 GLU HG3 H 2.310 0.030 2 102 16 16 GLU C C 176.722 0.300 1 103 16 16 GLU CA C 58.660 0.300 1 104 16 16 GLU CB C 29.442 0.300 1 105 16 16 GLU CG C 36.224 0.300 1 106 16 16 GLU N N 132.599 0.300 1 107 17 17 LYS H H 8.663 0.030 1 108 17 17 LYS HA H 4.226 0.030 1 109 17 17 LYS HB2 H 1.206 0.030 2 110 17 17 LYS HB3 H 1.123 0.030 2 111 17 17 LYS HD2 H 1.355 0.030 1 112 17 17 LYS HD3 H 1.355 0.030 1 113 17 17 LYS HE2 H 2.894 0.030 1 114 17 17 LYS HE3 H 2.894 0.030 1 115 17 17 LYS HG2 H 1.192 0.030 2 116 17 17 LYS HG3 H 1.104 0.030 2 117 17 17 LYS C C 177.401 0.300 1 118 17 17 LYS CA C 57.907 0.300 1 119 17 17 LYS CB C 32.302 0.300 1 120 17 17 LYS CD C 28.559 0.300 1 121 17 17 LYS CE C 42.210 0.300 1 122 17 17 LYS CG C 25.270 0.300 1 123 17 17 LYS N N 120.287 0.300 1 124 18 18 CYS H H 7.947 0.030 1 125 18 18 CYS HA H 5.149 0.030 1 126 18 18 CYS HB2 H 3.416 0.030 2 127 18 18 CYS HB3 H 2.844 0.030 2 128 18 18 CYS C C 176.183 0.300 1 129 18 18 CYS CA C 58.494 0.300 1 130 18 18 CYS CB C 32.419 0.300 1 131 18 18 CYS N N 115.102 0.300 1 132 19 19 GLY H H 8.174 0.030 1 133 19 19 GLY HA2 H 4.240 0.030 2 134 19 19 GLY HA3 H 3.774 0.030 2 135 19 19 GLY C C 173.624 0.300 1 136 19 19 GLY CA C 46.210 0.300 1 137 19 19 GLY N N 113.299 0.300 1 138 20 20 LYS H H 7.863 0.030 1 139 20 20 LYS HA H 3.986 0.030 1 140 20 20 LYS HB2 H 1.465 0.030 2 141 20 20 LYS HB3 H 1.357 0.030 2 142 20 20 LYS HD2 H 1.527 0.030 1 143 20 20 LYS HD3 H 1.527 0.030 1 144 20 20 LYS HE2 H 2.933 0.030 1 145 20 20 LYS HE3 H 2.933 0.030 1 146 20 20 LYS HG2 H 1.502 0.030 2 147 20 20 LYS HG3 H 1.214 0.030 2 148 20 20 LYS C C 175.075 0.300 1 149 20 20 LYS CA C 58.430 0.300 1 150 20 20 LYS CB C 33.781 0.300 1 151 20 20 LYS CD C 29.216 0.300 1 152 20 20 LYS CE C 42.318 0.300 1 153 20 20 LYS CG C 26.393 0.300 1 154 20 20 LYS N N 122.842 0.300 1 155 21 21 GLY H H 7.914 0.030 1 156 21 21 GLY HA2 H 4.931 0.030 2 157 21 21 GLY HA3 H 3.326 0.030 2 158 21 21 GLY C C 172.238 0.300 1 159 21 21 GLY CA C 44.275 0.300 1 160 21 21 GLY N N 107.845 0.300 1 161 22 22 TYR H H 8.721 0.030 1 162 22 22 TYR HA H 4.602 0.030 1 163 22 22 TYR HB2 H 3.269 0.030 2 164 22 22 TYR HB3 H 2.649 0.030 2 165 22 22 TYR HD1 H 7.063 0.030 1 166 22 22 TYR HD2 H 7.063 0.030 1 167 22 22 TYR HE1 H 6.241 0.030 1 168 22 22 TYR HE2 H 6.241 0.030 1 169 22 22 TYR C C 174.929 0.300 1 170 22 22 TYR CA C 58.165 0.300 1 171 22 22 TYR CB C 43.852 0.300 1 172 22 22 TYR CD1 C 132.959 0.300 1 173 22 22 TYR CD2 C 132.959 0.300 1 174 22 22 TYR CE1 C 117.690 0.300 1 175 22 22 TYR CE2 C 117.690 0.300 1 176 22 22 TYR N N 118.089 0.300 1 177 23 23 ASN HA H 4.934 0.030 1 178 23 23 ASN HB2 H 3.054 0.030 2 179 23 23 ASN HB3 H 2.992 0.030 2 180 23 23 ASN HD21 H 7.655 0.030 2 181 23 23 ASN HD22 H 6.963 0.030 2 182 23 23 ASN C C 174.696 0.300 1 183 23 23 ASN CA C 54.109 0.300 1 184 23 23 ASN CB C 39.410 0.300 1 185 23 23 ASN ND2 N 111.991 0.300 1 186 24 24 SER H H 7.545 0.030 1 187 24 24 SER HA H 4.643 0.030 1 188 24 24 SER HB2 H 4.072 0.030 2 189 24 24 SER HB3 H 3.912 0.030 2 190 24 24 SER C C 172.996 0.300 1 191 24 24 SER CA C 55.943 0.300 1 192 24 24 SER CB C 66.347 0.300 1 193 24 24 SER N N 111.773 0.300 1 194 25 25 LYS H H 8.281 0.030 1 195 25 25 LYS HA H 3.228 0.030 1 196 25 25 LYS HB2 H 1.547 0.030 2 197 25 25 LYS HB3 H 1.274 0.030 2 198 25 25 LYS HD2 H 1.726 0.030 2 199 25 25 LYS HD3 H 1.485 0.030 2 200 25 25 LYS HE2 H 3.024 0.030 1 201 25 25 LYS HE3 H 3.024 0.030 1 202 25 25 LYS HG2 H 1.309 0.030 2 203 25 25 LYS HG3 H 1.197 0.030 2 204 25 25 LYS C C 177.277 0.300 1 205 25 25 LYS CA C 58.406 0.300 1 206 25 25 LYS CB C 31.896 0.300 1 207 25 25 LYS CD C 28.651 0.300 1 208 25 25 LYS CE C 42.287 0.300 1 209 25 25 LYS CG C 24.736 0.300 1 210 25 25 LYS N N 125.696 0.300 1 211 26 26 PHE H H 8.138 0.030 1 212 26 26 PHE HA H 4.200 0.030 1 213 26 26 PHE HB2 H 3.152 0.030 2 214 26 26 PHE HB3 H 2.751 0.030 2 215 26 26 PHE HD1 H 7.186 0.030 1 216 26 26 PHE HD2 H 7.186 0.030 1 217 26 26 PHE HE1 H 7.328 0.030 1 218 26 26 PHE HE2 H 7.328 0.030 1 219 26 26 PHE HZ H 7.296 0.030 1 220 26 26 PHE C C 177.313 0.300 1 221 26 26 PHE CA C 61.011 0.300 1 222 26 26 PHE CB C 39.177 0.300 1 223 26 26 PHE CD1 C 131.819 0.300 1 224 26 26 PHE CD2 C 131.819 0.300 1 225 26 26 PHE CE1 C 131.398 0.300 1 226 26 26 PHE CE2 C 131.398 0.300 1 227 26 26 PHE CZ C 130.109 0.300 1 228 26 26 PHE N N 118.351 0.300 1 229 27 27 ASN H H 7.608 0.030 1 230 27 27 ASN HA H 4.267 0.030 1 231 27 27 ASN HB2 H 2.780 0.030 2 232 27 27 ASN HB3 H 2.751 0.030 2 233 27 27 ASN HD21 H 7.853 0.030 2 234 27 27 ASN HD22 H 7.058 0.030 2 235 27 27 ASN C C 178.042 0.300 1 236 27 27 ASN CA C 55.445 0.300 1 237 27 27 ASN CB C 37.672 0.300 1 238 27 27 ASN N N 116.278 0.300 1 239 27 27 ASN ND2 N 112.090 0.300 1 240 28 28 LEU H H 7.434 0.030 1 241 28 28 LEU HA H 3.515 0.030 1 242 28 28 LEU HB2 H 1.979 0.030 2 243 28 28 LEU HB3 H 1.343 0.030 2 244 28 28 LEU HD1 H 1.020 0.030 1 245 28 28 LEU HD2 H 1.024 0.030 1 246 28 28 LEU HG H 1.634 0.030 1 247 28 28 LEU C C 177.766 0.300 1 248 28 28 LEU CA C 58.209 0.300 1 249 28 28 LEU CB C 40.554 0.300 1 250 28 28 LEU CD1 C 26.693 0.300 2 251 28 28 LEU CD2 C 22.770 0.300 2 252 28 28 LEU CG C 27.432 0.300 1 253 28 28 LEU N N 123.655 0.300 1 254 29 29 ASP H H 8.751 0.030 1 255 29 29 ASP HA H 4.236 0.030 1 256 29 29 ASP HB2 H 2.646 0.030 2 257 29 29 ASP HB3 H 2.393 0.030 2 258 29 29 ASP C C 179.757 0.300 1 259 29 29 ASP CA C 57.487 0.300 1 260 29 29 ASP CB C 39.513 0.300 1 261 29 29 ASP N N 121.274 0.300 1 262 30 30 MET H H 7.737 0.030 1 263 30 30 MET HA H 4.088 0.030 1 264 30 30 MET HB2 H 1.847 0.030 2 265 30 30 MET HB3 H 1.809 0.030 2 266 30 30 MET HE H 1.914 0.030 1 267 30 30 MET HG2 H 2.312 0.030 2 268 30 30 MET HG3 H 1.989 0.030 2 269 30 30 MET C C 179.041 0.300 1 270 30 30 MET CA C 57.356 0.300 1 271 30 30 MET CB C 32.254 0.300 1 272 30 30 MET CE C 17.422 0.300 1 273 30 30 MET CG C 32.063 0.300 1 274 30 30 MET N N 117.956 0.300 1 275 31 31 HIS H H 7.484 0.030 1 276 31 31 HIS HA H 4.223 0.030 1 277 31 31 HIS HB2 H 3.221 0.030 2 278 31 31 HIS HB3 H 2.867 0.030 2 279 31 31 HIS HD2 H 6.817 0.030 1 280 31 31 HIS HE1 H 7.826 0.030 1 281 31 31 HIS C C 176.128 0.300 1 282 31 31 HIS CA C 58.642 0.300 1 283 31 31 HIS CB C 27.685 0.300 1 284 31 31 HIS CD2 C 126.418 0.300 1 285 31 31 HIS CE1 C 139.384 0.300 1 286 31 31 HIS N N 119.906 0.300 1 287 32 32 GLN H H 8.113 0.030 1 288 32 32 GLN HA H 3.617 0.030 1 289 32 32 GLN HB2 H 2.219 0.030 1 290 32 32 GLN HB3 H 2.219 0.030 1 291 32 32 GLN HE21 H 7.341 0.030 1 292 32 32 GLN HE22 H 7.341 0.030 1 293 32 32 GLN HG2 H 2.821 0.030 1 294 32 32 GLN HG3 H 2.821 0.030 1 295 32 32 GLN C C 177.415 0.300 1 296 32 32 GLN CA C 59.215 0.300 1 297 32 32 GLN CB C 28.017 0.300 1 298 32 32 GLN CG C 35.068 0.300 1 299 32 32 GLN N N 114.499 0.300 1 300 32 32 GLN NE2 N 113.547 0.300 1 301 33 33 LYS H H 7.058 0.030 1 302 33 33 LYS HA H 4.070 0.030 1 303 33 33 LYS HB2 H 1.812 0.030 2 304 33 33 LYS HB3 H 1.744 0.030 2 305 33 33 LYS HD2 H 1.651 0.030 1 306 33 33 LYS HD3 H 1.651 0.030 1 307 33 33 LYS HE2 H 2.943 0.030 1 308 33 33 LYS HE3 H 2.943 0.030 1 309 33 33 LYS HG2 H 1.560 0.030 2 310 33 33 LYS HG3 H 1.438 0.030 2 311 33 33 LYS C C 178.677 0.300 1 312 33 33 LYS CA C 58.642 0.300 1 313 33 33 LYS CB C 32.260 0.300 1 314 33 33 LYS CD C 29.103 0.300 1 315 33 33 LYS CE C 42.138 0.300 1 316 33 33 LYS CG C 25.080 0.300 1 317 33 33 LYS N N 117.603 0.300 1 318 34 34 VAL H H 7.866 0.030 1 319 34 34 VAL HA H 3.921 0.030 1 320 34 34 VAL HB H 1.909 0.030 1 321 34 34 VAL HG1 H 0.488 0.030 1 322 34 34 VAL HG2 H 0.640 0.030 1 323 34 34 VAL C C 177.313 0.300 1 324 34 34 VAL CA C 63.894 0.300 1 325 34 34 VAL CB C 31.112 0.300 1 326 34 34 VAL CG1 C 19.647 0.300 2 327 34 34 VAL CG2 C 19.914 0.300 2 328 34 34 VAL N N 115.892 0.300 1 329 35 35 HIS H H 7.214 0.030 1 330 35 35 HIS HA H 4.849 0.030 1 331 35 35 HIS HB2 H 3.256 0.030 2 332 35 35 HIS HB3 H 3.199 0.030 2 333 35 35 HIS HD2 H 6.664 0.030 1 334 35 35 HIS HE1 H 8.036 0.030 1 335 35 35 HIS C C 175.673 0.300 1 336 35 35 HIS CA C 55.209 0.300 1 337 35 35 HIS CB C 28.593 0.300 1 338 35 35 HIS CD2 C 127.567 0.300 1 339 35 35 HIS CE1 C 140.170 0.300 1 340 35 35 HIS N N 116.839 0.300 1 341 36 36 THR H H 7.679 0.030 1 342 36 36 THR HA H 4.291 0.030 1 343 36 36 THR HB H 4.276 0.030 1 344 36 36 THR HG2 H 1.223 0.030 1 345 36 36 THR C C 175.272 0.300 1 346 36 36 THR CA C 62.881 0.300 1 347 36 36 THR CB C 69.726 0.300 1 348 36 36 THR CG2 C 21.601 0.300 1 349 36 36 THR N N 113.089 0.300 1 350 37 37 GLY H H 8.285 0.030 1 351 37 37 GLY HA2 H 3.975 0.030 1 352 37 37 GLY HA3 H 3.975 0.030 1 353 37 37 GLY C C 174.076 0.300 1 354 37 37 GLY CA C 45.310 0.300 1 355 37 37 GLY N N 110.927 0.300 1 356 38 38 GLU H H 7.975 0.030 1 357 38 38 GLU HA H 4.244 0.030 1 358 38 38 GLU HB2 H 2.005 0.030 2 359 38 38 GLU HB3 H 1.931 0.030 2 360 38 38 GLU HG2 H 2.227 0.030 1 361 38 38 GLU HG3 H 2.227 0.030 1 362 38 38 GLU C C 176.226 0.300 1 363 38 38 GLU CA C 56.481 0.300 1 364 38 38 GLU CB C 30.520 0.300 1 365 38 38 GLU CG C 36.221 0.300 1 366 38 38 GLU N N 120.420 0.300 1 367 39 39 ARG H H 8.360 0.030 1 368 39 39 ARG HA H 4.626 0.030 1 369 39 39 ARG HB2 H 1.834 0.030 2 370 39 39 ARG HB3 H 1.712 0.030 2 371 39 39 ARG HD2 H 3.206 0.030 1 372 39 39 ARG HD3 H 3.206 0.030 1 373 39 39 ARG HG2 H 1.666 0.030 1 374 39 39 ARG HG3 H 1.666 0.030 1 375 39 39 ARG C C 174.156 0.300 1 376 39 39 ARG CA C 53.847 0.300 1 377 39 39 ARG CB C 30.322 0.300 1 378 39 39 ARG CD C 43.406 0.300 1 379 39 39 ARG CG C 26.779 0.300 1 380 39 39 ARG N N 123.007 0.300 1 381 40 40 PRO HA H 4.452 0.030 1 382 40 40 PRO HB2 H 1.952 0.030 1 383 40 40 PRO HB3 H 1.952 0.030 1 384 40 40 PRO HD2 H 3.806 0.030 2 385 40 40 PRO HD3 H 3.629 0.030 2 386 40 40 PRO HG2 H 2.025 0.030 2 387 40 40 PRO HG3 H 1.991 0.030 2 388 40 40 PRO C C 177.335 0.300 1 389 40 40 PRO CA C 63.257 0.300 1 390 40 40 PRO CB C 32.203 0.300 1 391 40 40 PRO CD C 50.652 0.300 1 392 40 40 PRO CG C 27.406 0.300 1 393 41 41 SER H H 8.500 0.030 1 394 41 41 SER HA H 4.458 0.030 1 395 41 41 SER HB2 H 3.841 0.030 2 396 41 41 SER C C 174.594 0.300 1 397 41 41 SER CA C 58.335 0.300 1 398 41 41 SER CB C 63.764 0.300 1 399 41 41 SER N N 116.396 0.300 1 400 42 42 GLY H H 8.177 0.030 1 401 42 42 GLY HA2 H 4.129 0.030 1 402 42 42 GLY HA3 H 4.129 0.030 1 403 42 42 GLY C C 171.721 0.300 1 404 42 42 GLY CA C 44.645 0.300 1 405 42 42 GLY N N 110.583 0.300 1 406 43 43 PRO HA H 4.469 0.030 1 407 43 43 PRO HB2 H 2.303 0.030 2 408 43 43 PRO HB3 H 1.949 0.030 2 409 43 43 PRO HD2 H 3.620 0.030 1 410 43 43 PRO HD3 H 3.620 0.030 1 411 43 43 PRO HG2 H 2.011 0.030 1 412 43 43 PRO HG3 H 2.011 0.030 1 413 43 43 PRO C C 176.898 0.300 1 414 43 43 PRO CA C 63.254 0.300 1 415 43 43 PRO CB C 32.129 0.300 1 416 43 43 PRO CD C 49.810 0.300 1 417 43 43 PRO CG C 27.155 0.300 1 418 44 44 SER H H 8.425 0.030 1 419 44 44 SER HA H 4.470 0.030 1 420 44 44 SER HB2 H 3.868 0.030 2 421 44 44 SER C C 174.587 0.300 1 422 44 44 SER CA C 58.573 0.300 1 423 44 44 SER CB C 63.534 0.300 1 424 44 44 SER N N 116.286 0.300 1 425 45 45 SER H H 8.285 0.030 1 426 45 45 SER HA H 4.444 0.030 1 427 45 45 SER HB2 H 3.830 0.030 2 428 45 45 SER C C 173.871 0.300 1 429 45 45 SER CA C 58.320 0.300 1 430 45 45 SER CB C 64.081 0.300 1 431 45 45 SER N N 117.797 0.300 1 432 46 46 GLY H H 8.013 0.030 1 433 46 46 GLY HA2 H 4.038 0.030 2 434 46 46 GLY HA3 H 4.006 0.030 2 435 46 46 GLY C C 178.910 0.300 1 436 46 46 GLY CA C 45.957 0.300 1 437 46 46 GLY N N 116.817 0.300 1 stop_ save_