data_11380 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Solution structure of the 4th zinc finger domain of Zinc finger protein 278 ; _BMRB_accession_number 11380 _BMRB_flat_file_name bmr11380.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 Tanabe W. . . 2 Suzuki S. . . 3 Muto Y. . . 4 Inoue M. . . 5 Kigawa T. . . 6 Terada T. . . 7 Shirouzu M. . . 8 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" 259 "13C chemical shifts" 190 "15N chemical shifts" 44 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 4th zinc finger domain of Zinc finger protein 278' _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 Tanabe W. . . 2 Suzuki S. . . 3 Muto Y. . . 4 Inoue M. . . 5 Kigawa T. . . 6 Terada T. . . 7 Shirouzu M. . . 8 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 'POZ-, AT hook-, and zinc finger-containing protein 1' _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label 'zinc finger domain, UNP residues 408-448' $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 'zinc finger domain, UNP residues 408-448' _Molecular_mass . _Mol_thiol_state 'free and other bound' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 54 _Mol_residue_sequence ; GSSGSSGSVGKPYICQSCGK GFSRPDHLNGHIKQVHTSER PHKCQVWVSGPSSG ; loop_ _Residue_seq_code _Residue_label 1 GLY 2 SER 3 SER 4 GLY 5 SER 6 SER 7 GLY 8 SER 9 VAL 10 GLY 11 LYS 12 PRO 13 TYR 14 ILE 15 CYS 16 GLN 17 SER 18 CYS 19 GLY 20 LYS 21 GLY 22 PHE 23 SER 24 ARG 25 PRO 26 ASP 27 HIS 28 LEU 29 ASN 30 GLY 31 HIS 32 ILE 33 LYS 34 GLN 35 VAL 36 HIS 37 THR 38 SER 39 GLU 40 ARG 41 PRO 42 HIS 43 LYS 44 CYS 45 GLN 46 VAL 47 TRP 48 VAL 49 SER 50 GLY 51 PRO 52 SER 53 SER 54 GLY stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date 2015-01-31 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 2EPS "Solution Structure Of The 4th Zinc Finger Domain Of Zinc Finger Protein 278" 100.00 54 100.00 100.00 3.92e-29 GB AAG09036 "EWS/ZSG fusion protein long A isoform [Homo sapiens]" 74.07 713 97.50 97.50 2.25e-18 GB AAG09037 "EWS/ZSG fusion protein long B isoform [Homo sapiens]" 74.07 609 97.50 97.50 2.10e-18 GB KFQ43058 "POZ-, AT hook-, and zinc finger-containing protein 1, partial [Nestor notabilis]" 74.07 94 97.50 97.50 3.93e-19 REF XP_004934428 "PREDICTED: POZ-, AT hook-, and zinc finger-containing protein 1 isoform X4 [Gallus gallus]" 74.07 714 97.50 97.50 3.93e-18 REF XP_004934429 "PREDICTED: POZ-, AT hook-, and zinc finger-containing protein 1 isoform X5 [Gallus gallus]" 74.07 713 97.50 97.50 3.97e-18 REF XP_004934430 "PREDICTED: POZ-, AT hook-, and zinc finger-containing protein 1 isoform X6 [Gallus gallus]" 74.07 713 97.50 97.50 3.97e-18 REF XP_004934431 "PREDICTED: POZ-, AT hook-, and zinc finger-containing protein 1 isoform X7 [Gallus gallus]" 74.07 712 97.50 97.50 3.96e-18 REF XP_004934432 "PREDICTED: POZ-, AT hook-, and zinc finger-containing protein 1 isoform X8 [Gallus gallus]" 74.07 564 97.50 97.50 3.39e-18 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_type _Vector_name $entity_1 'cell free synthesis' 'E. coli' Escherichia coli . plasmid P061204-08 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Saveframe_category sample _Sample_type solution _Details ; 1.08mM 13C-15N {PROTEIN;} 20mM {d-Tris-HCl(pH7.0);} 100mM {NaCl;} 1mM {d-DTT;} 0.02% {NaN3;} 0.05mM ZnCl2+1mM {IDA;} 90% H2O, 10% D2O ; loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $entity_1 1.08 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' ZnCl2 0.05 mM 'natural abundance' IDA 1 mM '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 20060702 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 2.1 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_15N-separated_NOESY_1 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 15N-separated NOESY' _Sample_label $sample_1 save_ save_3D_13C-separated_NOESY_2 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 13C-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 15N-separated NOESY' '3D 13C-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 'zinc finger domain, UNP residues 408-448' _Text_data_format . _Text_data . loop_ _Atom_shift_assign_ID _Residue_author_seq_code _Residue_seq_code _Residue_label _Atom_name _Atom_type _Chem_shift_value _Chem_shift_value_error _Chem_shift_ambiguity_code 1 8 8 SER HA H 4.455 0.030 1 2 8 8 SER HB2 H 3.799 0.030 2 3 8 8 SER C C 174.591 0.300 1 4 8 8 SER CA C 58.058 0.300 1 5 8 8 SER CB C 63.870 0.300 1 6 9 9 VAL H H 8.102 0.030 1 7 9 9 VAL HA H 4.066 0.030 1 8 9 9 VAL HB H 2.059 0.030 1 9 9 9 VAL HG1 H 0.907 0.030 1 10 9 9 VAL HG2 H 0.894 0.030 1 11 9 9 VAL C C 176.650 0.300 1 12 9 9 VAL CA C 62.592 0.300 1 13 9 9 VAL CB C 32.550 0.300 1 14 9 9 VAL CG1 C 20.457 0.300 2 15 9 9 VAL CG2 C 21.026 0.300 2 16 9 9 VAL N N 121.664 0.300 1 17 10 10 GLY H H 8.425 0.030 1 18 10 10 GLY HA2 H 3.838 0.030 2 19 10 10 GLY HA3 H 3.875 0.030 2 20 10 10 GLY C C 173.832 0.300 1 21 10 10 GLY CA C 45.223 0.300 1 22 10 10 GLY N N 112.178 0.300 1 23 11 11 LYS H H 7.981 0.030 1 24 11 11 LYS HA H 4.438 0.030 1 25 11 11 LYS HB2 H 1.469 0.030 2 26 11 11 LYS HB3 H 1.371 0.030 2 27 11 11 LYS HD2 H 1.358 0.030 2 28 11 11 LYS HD3 H 1.464 0.030 2 29 11 11 LYS HE2 H 2.853 0.030 1 30 11 11 LYS HE3 H 2.853 0.030 1 31 11 11 LYS HG2 H 1.235 0.030 2 32 11 11 LYS HG3 H 1.086 0.030 2 33 11 11 LYS C C 174.108 0.300 1 34 11 11 LYS CA C 53.549 0.300 1 35 11 11 LYS CB C 32.611 0.300 1 36 11 11 LYS CD C 29.288 0.300 1 37 11 11 LYS CE C 42.129 0.300 1 38 11 11 LYS CG C 24.759 0.300 1 39 11 11 LYS N N 120.742 0.300 1 40 12 12 PRO HA H 4.264 0.030 1 41 12 12 PRO HB2 H 1.968 0.030 2 42 12 12 PRO HB3 H 1.317 0.030 2 43 12 12 PRO HD2 H 3.589 0.030 2 44 12 12 PRO HD3 H 3.547 0.030 2 45 12 12 PRO HG2 H 1.566 0.030 2 46 12 12 PRO HG3 H 1.836 0.030 2 47 12 12 PRO C C 176.373 0.300 1 48 12 12 PRO CA C 63.498 0.300 1 49 12 12 PRO CB C 32.031 0.300 1 50 12 12 PRO CD C 50.089 0.300 1 51 12 12 PRO CG C 26.576 0.300 1 52 13 13 TYR H H 7.839 0.030 1 53 13 13 TYR HA H 4.533 0.030 1 54 13 13 TYR HB2 H 2.875 0.030 2 55 13 13 TYR HB3 H 2.756 0.030 2 56 13 13 TYR HD1 H 6.989 0.030 1 57 13 13 TYR HD2 H 6.989 0.030 1 58 13 13 TYR HE1 H 6.811 0.030 1 59 13 13 TYR HE2 H 6.811 0.030 1 60 13 13 TYR C C 174.353 0.300 1 61 13 13 TYR CA C 57.745 0.300 1 62 13 13 TYR CB C 37.788 0.300 1 63 13 13 TYR CD1 C 133.185 0.300 1 64 13 13 TYR CD2 C 133.185 0.300 1 65 13 13 TYR CE1 C 118.213 0.300 1 66 13 13 TYR CE2 C 118.213 0.300 1 67 13 13 TYR N N 119.092 0.300 1 68 14 14 ILE H H 8.350 0.030 1 69 14 14 ILE HA H 4.565 0.030 1 70 14 14 ILE HB H 1.649 0.030 1 71 14 14 ILE HD1 H 0.687 0.030 1 72 14 14 ILE HG12 H 1.328 0.030 2 73 14 14 ILE HG13 H 1.031 0.030 2 74 14 14 ILE HG2 H 0.619 0.030 1 75 14 14 ILE C C 175.822 0.300 1 76 14 14 ILE CA C 59.436 0.300 1 77 14 14 ILE CB C 39.789 0.300 1 78 14 14 ILE CD1 C 12.116 0.300 1 79 14 14 ILE CG1 C 27.470 0.300 1 80 14 14 ILE CG2 C 16.987 0.300 1 81 14 14 ILE N N 125.308 0.300 1 82 15 15 CYS H H 9.167 0.030 1 83 15 15 CYS HA H 4.482 0.030 1 84 15 15 CYS HB2 H 3.335 0.030 2 85 15 15 CYS HB3 H 2.857 0.030 2 86 15 15 CYS C C 177.416 0.300 1 87 15 15 CYS CA C 59.996 0.300 1 88 15 15 CYS CB C 29.374 0.300 1 89 15 15 CYS N N 129.557 0.300 1 90 16 16 GLN H H 9.619 0.030 1 91 16 16 GLN HA H 4.114 0.030 1 92 16 16 GLN HB2 H 2.197 0.030 2 93 16 16 GLN HB3 H 2.062 0.030 2 94 16 16 GLN HE21 H 6.916 0.030 2 95 16 16 GLN HE22 H 7.426 0.030 2 96 16 16 GLN HG2 H 2.488 0.030 1 97 16 16 GLN HG3 H 2.488 0.030 1 98 16 16 GLN C C 176.472 0.300 1 99 16 16 GLN CA C 57.727 0.300 1 100 16 16 GLN CB C 28.533 0.300 1 101 16 16 GLN CG C 34.083 0.300 1 102 16 16 GLN N N 131.731 0.300 1 103 16 16 GLN NE2 N 112.852 0.300 1 104 17 17 SER H H 8.734 0.030 1 105 17 17 SER HA H 4.371 0.030 1 106 17 17 SER HB2 H 3.100 0.030 2 107 17 17 SER HB3 H 2.757 0.030 2 108 17 17 SER C C 174.756 0.300 1 109 17 17 SER CA C 61.274 0.300 1 110 17 17 SER CB C 62.046 0.300 1 111 17 17 SER N N 116.303 0.300 1 112 18 18 CYS H H 8.083 0.030 1 113 18 18 CYS HA H 5.178 0.030 1 114 18 18 CYS HB2 H 3.410 0.030 2 115 18 18 CYS HB3 H 2.914 0.030 2 116 18 18 CYS C C 175.965 0.300 1 117 18 18 CYS CA C 58.708 0.300 1 118 18 18 CYS CB C 32.658 0.300 1 119 18 18 CYS N N 117.056 0.300 1 120 19 19 GLY H H 8.243 0.030 1 121 19 19 GLY HA2 H 4.149 0.030 2 122 19 19 GLY HA3 H 3.664 0.030 2 123 19 19 GLY C C 173.441 0.300 1 124 19 19 GLY CA C 46.088 0.300 1 125 19 19 GLY N N 113.725 0.300 1 126 20 20 LYS H H 7.918 0.030 1 127 20 20 LYS HA H 3.933 0.030 1 128 20 20 LYS HB2 H 1.463 0.030 2 129 20 20 LYS HB3 H 1.229 0.030 2 130 20 20 LYS HD2 H 1.503 0.030 2 131 20 20 LYS HD3 H 1.403 0.030 2 132 20 20 LYS HE2 H 2.917 0.030 2 133 20 20 LYS HE3 H 2.858 0.030 2 134 20 20 LYS HG2 H 1.001 0.030 2 135 20 20 LYS HG3 H 1.365 0.030 2 136 20 20 LYS C C 174.588 0.300 1 137 20 20 LYS CA C 58.058 0.300 1 138 20 20 LYS CB C 33.801 0.300 1 139 20 20 LYS CD C 29.369 0.300 1 140 20 20 LYS CE C 42.253 0.300 1 141 20 20 LYS CG C 26.116 0.300 1 142 20 20 LYS N N 123.036 0.300 1 143 21 21 GLY H H 7.932 0.030 1 144 21 21 GLY HA2 H 4.915 0.030 2 145 21 21 GLY HA3 H 3.249 0.030 2 146 21 21 GLY C C 172.562 0.300 1 147 21 21 GLY CA C 44.174 0.300 1 148 21 21 GLY N N 108.569 0.300 1 149 22 22 PHE H H 8.788 0.030 1 150 22 22 PHE HA H 4.768 0.030 1 151 22 22 PHE HB2 H 3.447 0.030 2 152 22 22 PHE HB3 H 2.825 0.030 2 153 22 22 PHE HD1 H 7.320 0.030 1 154 22 22 PHE HD2 H 7.320 0.030 1 155 22 22 PHE HE1 H 6.797 0.030 1 156 22 22 PHE HE2 H 6.797 0.030 1 157 22 22 PHE HZ H 6.165 0.030 1 158 22 22 PHE C C 175.578 0.300 1 159 22 22 PHE CA C 57.246 0.300 1 160 22 22 PHE CB C 43.805 0.300 1 161 22 22 PHE CD1 C 132.480 0.300 1 162 22 22 PHE CD2 C 132.480 0.300 1 163 22 22 PHE CE1 C 130.772 0.300 1 164 22 22 PHE CE2 C 130.772 0.300 1 165 22 22 PHE CZ C 128.615 0.300 1 166 22 22 PHE N N 117.851 0.300 1 167 23 23 SER H H 9.774 0.030 1 168 23 23 SER HA H 4.711 0.030 1 169 23 23 SER HB2 H 4.114 0.030 2 170 23 23 SER HB3 H 4.058 0.030 2 171 23 23 SER C C 173.960 0.300 1 172 23 23 SER CA C 60.148 0.300 1 173 23 23 SER CB C 64.490 0.300 1 174 23 23 SER N N 116.001 0.300 1 175 24 24 ARG H H 7.192 0.030 1 176 24 24 ARG HA H 4.738 0.030 1 177 24 24 ARG HB2 H 1.873 0.030 2 178 24 24 ARG HB3 H 0.877 0.030 2 179 24 24 ARG HD2 H 2.780 0.030 2 180 24 24 ARG HD3 H 3.079 0.030 2 181 24 24 ARG HG2 H 1.344 0.030 2 182 24 24 ARG HG3 H 1.525 0.030 2 183 24 24 ARG C C 174.855 0.300 1 184 24 24 ARG CA C 52.650 0.300 1 185 24 24 ARG CB C 33.486 0.300 1 186 24 24 ARG CD C 43.439 0.300 1 187 24 24 ARG CG C 26.275 0.300 1 188 24 24 ARG N N 117.224 0.300 1 189 25 25 PRO HA H 3.470 0.030 1 190 25 25 PRO HB2 H 1.752 0.030 1 191 25 25 PRO HB3 H 1.752 0.030 1 192 25 25 PRO HD2 H 3.032 0.030 2 193 25 25 PRO HD3 H 3.533 0.030 2 194 25 25 PRO HG2 H 1.876 0.030 2 195 25 25 PRO HG3 H 1.514 0.030 2 196 25 25 PRO C C 178.102 0.300 1 197 25 25 PRO CA C 64.466 0.300 1 198 25 25 PRO CB C 31.083 0.300 1 199 25 25 PRO CD C 50.083 0.300 1 200 25 25 PRO CG C 26.538 0.300 1 201 26 26 ASP H H 8.618 0.030 1 202 26 26 ASP HA H 4.287 0.030 1 203 26 26 ASP HB2 H 2.500 0.030 2 204 26 26 ASP HB3 H 2.666 0.030 2 205 26 26 ASP C C 179.416 0.300 1 206 26 26 ASP CA C 56.125 0.300 1 207 26 26 ASP CB C 38.236 0.300 1 208 26 26 ASP N N 116.090 0.300 1 209 27 27 HIS H H 7.029 0.030 1 210 27 27 HIS HA H 4.498 0.030 1 211 27 27 HIS HB2 H 3.282 0.030 1 212 27 27 HIS HB3 H 3.282 0.030 1 213 27 27 HIS HD2 H 6.855 0.030 1 214 27 27 HIS HE1 H 7.773 0.030 1 215 27 27 HIS C C 178.172 0.300 1 216 27 27 HIS CA C 56.808 0.300 1 217 27 27 HIS CB C 31.689 0.300 1 218 27 27 HIS CD2 C 116.577 0.300 1 219 27 27 HIS CE1 C 139.024 0.300 1 220 27 27 HIS N N 121.052 0.300 1 221 28 28 LEU H H 6.877 0.030 1 222 28 28 LEU HA H 3.169 0.030 1 223 28 28 LEU HB2 H 1.892 0.030 2 224 28 28 LEU HB3 H 1.257 0.030 2 225 28 28 LEU HD1 H 0.993 0.030 1 226 28 28 LEU HD2 H 1.037 0.030 1 227 28 28 LEU HG H 1.572 0.030 1 228 28 28 LEU C C 177.189 0.300 1 229 28 28 LEU CA C 57.896 0.300 1 230 28 28 LEU CB C 39.999 0.300 1 231 28 28 LEU CD1 C 26.373 0.300 2 232 28 28 LEU CD2 C 22.519 0.300 2 233 28 28 LEU CG C 27.538 0.300 1 234 28 28 LEU N N 121.115 0.300 1 235 29 29 ASN H H 8.203 0.030 1 236 29 29 ASN HA H 4.339 0.030 1 237 29 29 ASN HB2 H 2.710 0.030 1 238 29 29 ASN HB3 H 2.710 0.030 1 239 29 29 ASN HD21 H 7.576 0.030 2 240 29 29 ASN HD22 H 6.863 0.030 2 241 29 29 ASN C C 178.239 0.300 1 242 29 29 ASN CA C 56.678 0.300 1 243 29 29 ASN CB C 37.934 0.300 1 244 29 29 ASN N N 117.764 0.300 1 245 29 29 ASN ND2 N 112.209 0.300 1 246 30 30 GLY H H 8.137 0.030 1 247 30 30 GLY HA2 H 3.856 0.030 2 248 30 30 GLY HA3 H 3.764 0.030 2 249 30 30 GLY C C 175.359 0.300 1 250 30 30 GLY CA C 47.072 0.300 1 251 30 30 GLY N N 106.979 0.300 1 252 31 31 HIS H H 7.483 0.030 1 253 31 31 HIS HA H 4.294 0.030 1 254 31 31 HIS HB2 H 3.237 0.030 2 255 31 31 HIS HB3 H 2.817 0.030 2 256 31 31 HIS HD2 H 7.127 0.030 1 257 31 31 HIS HE1 H 8.038 0.030 1 258 31 31 HIS C C 176.286 0.300 1 259 31 31 HIS CA C 59.285 0.300 1 260 31 31 HIS CB C 28.316 0.300 1 261 31 31 HIS CD2 C 127.949 0.300 1 262 31 31 HIS CE1 C 139.387 0.300 1 263 31 31 HIS N N 121.817 0.300 1 264 32 32 ILE H H 8.468 0.030 1 265 32 32 ILE HA H 3.371 0.030 1 266 32 32 ILE HB H 1.898 0.030 1 267 32 32 ILE HD1 H 1.051 0.030 1 268 32 32 ILE HG12 H 1.393 0.030 2 269 32 32 ILE HG13 H 2.111 0.030 2 270 32 32 ILE HG2 H 0.949 0.030 1 271 32 32 ILE C C 178.635 0.300 1 272 32 32 ILE CA C 66.696 0.300 1 273 32 32 ILE CB C 38.528 0.300 1 274 32 32 ILE CD1 C 14.251 0.300 1 275 32 32 ILE CG1 C 30.504 0.300 1 276 32 32 ILE CG2 C 17.415 0.300 1 277 32 32 ILE N N 120.253 0.300 1 278 33 33 LYS H H 7.594 0.030 1 279 33 33 LYS HA H 3.975 0.030 1 280 33 33 LYS HB2 H 1.825 0.030 1 281 33 33 LYS HB3 H 1.825 0.030 1 282 33 33 LYS HD2 H 1.606 0.030 1 283 33 33 LYS HD3 H 1.606 0.030 1 284 33 33 LYS HE2 H 2.905 0.030 1 285 33 33 LYS HE3 H 2.905 0.030 1 286 33 33 LYS HG2 H 1.459 0.030 2 287 33 33 LYS HG3 H 1.376 0.030 2 288 33 33 LYS C C 177.827 0.300 1 289 33 33 LYS CA C 58.576 0.300 1 290 33 33 LYS CB C 32.530 0.300 1 291 33 33 LYS CD C 29.089 0.300 1 292 33 33 LYS CE C 42.051 0.300 1 293 33 33 LYS CG C 24.986 0.300 1 294 33 33 LYS N N 117.438 0.300 1 295 34 34 GLN H H 7.781 0.030 1 296 34 34 GLN HA H 4.052 0.030 1 297 34 34 GLN HB2 H 2.040 0.030 2 298 34 34 GLN HB3 H 2.006 0.030 2 299 34 34 GLN HE21 H 7.346 0.030 2 300 34 34 GLN HE22 H 6.780 0.030 2 301 34 34 GLN HG2 H 2.397 0.030 2 302 34 34 GLN HG3 H 2.263 0.030 2 303 34 34 GLN C C 177.633 0.300 1 304 34 34 GLN CA C 58.102 0.300 1 305 34 34 GLN CB C 29.767 0.300 1 306 34 34 GLN CG C 33.918 0.300 1 307 34 34 GLN N N 115.939 0.300 1 308 34 34 GLN NE2 N 111.654 0.300 1 309 35 35 VAL H H 8.109 0.030 1 310 35 35 VAL HA H 3.923 0.030 1 311 35 35 VAL HB H 0.900 0.030 1 312 35 35 VAL HG1 H 0.517 0.030 1 313 35 35 VAL HG2 H 0.371 0.030 1 314 35 35 VAL C C 176.343 0.300 1 315 35 35 VAL CA C 63.693 0.300 1 316 35 35 VAL CB C 33.241 0.300 1 317 35 35 VAL CG1 C 21.746 0.300 2 318 35 35 VAL CG2 C 21.184 0.300 2 319 35 35 VAL N N 114.240 0.300 1 320 36 36 HIS H H 7.584 0.030 1 321 36 36 HIS HA H 5.185 0.030 1 322 36 36 HIS HB2 H 3.165 0.030 2 323 36 36 HIS HB3 H 3.347 0.030 2 324 36 36 HIS HD2 H 6.608 0.030 1 325 36 36 HIS HE1 H 7.978 0.030 1 326 36 36 HIS C C 175.233 0.300 1 327 36 36 HIS CA C 54.276 0.300 1 328 36 36 HIS CB C 28.843 0.300 1 329 36 36 HIS CD2 C 127.725 0.300 1 330 36 36 HIS CE1 C 139.769 0.300 1 331 36 36 HIS N N 116.690 0.300 1 332 37 37 THR H H 7.642 0.030 1 333 37 37 THR HA H 4.341 0.030 1 334 37 37 THR HB H 4.263 0.030 1 335 37 37 THR HG2 H 1.170 0.030 1 336 37 37 THR C C 174.555 0.300 1 337 37 37 THR CA C 62.746 0.300 1 338 37 37 THR CB C 69.655 0.300 1 339 37 37 THR CG2 C 21.663 0.300 1 340 37 37 THR N N 113.465 0.300 1 341 38 38 SER H H 8.360 0.030 1 342 38 38 SER HA H 4.441 0.030 1 343 38 38 SER HB2 H 3.870 0.030 2 344 38 38 SER HB3 H 3.815 0.030 2 345 38 38 SER C C 174.311 0.300 1 346 38 38 SER CA C 58.398 0.300 1 347 38 38 SER CB C 63.817 0.300 1 348 38 38 SER N N 117.878 0.300 1 349 39 39 GLU H H 8.287 0.030 1 350 39 39 GLU HA H 4.248 0.030 1 351 39 39 GLU HB2 H 2.001 0.030 2 352 39 39 GLU HB3 H 1.909 0.030 2 353 39 39 GLU HG2 H 2.240 0.030 2 354 39 39 GLU HG3 H 2.197 0.030 2 355 39 39 GLU C C 176.118 0.300 1 356 39 39 GLU CA C 56.464 0.300 1 357 39 39 GLU CB C 30.282 0.300 1 358 39 39 GLU CG C 36.244 0.300 1 359 39 39 GLU N N 122.619 0.300 1 360 40 40 ARG H H 8.309 0.030 1 361 40 40 ARG HA H 4.573 0.030 1 362 40 40 ARG HB2 H 1.678 0.030 2 363 40 40 ARG HB3 H 1.789 0.030 2 364 40 40 ARG HD2 H 3.160 0.030 1 365 40 40 ARG HD3 H 3.160 0.030 1 366 40 40 ARG HG2 H 1.611 0.030 1 367 40 40 ARG HG3 H 1.611 0.030 1 368 40 40 ARG C C 174.012 0.300 1 369 40 40 ARG CA C 53.787 0.300 1 370 40 40 ARG CB C 30.106 0.300 1 371 40 40 ARG CD C 43.378 0.300 1 372 40 40 ARG CG C 26.767 0.300 1 373 40 40 ARG N N 122.964 0.300 1 374 41 41 PRO HA H 4.365 0.030 1 375 41 41 PRO HB2 H 2.229 0.030 2 376 41 41 PRO HB3 H 1.800 0.030 2 377 41 41 PRO HD2 H 3.565 0.030 2 378 41 41 PRO HD3 H 3.740 0.030 2 379 41 41 PRO HG2 H 1.954 0.030 1 380 41 41 PRO HG3 H 1.954 0.030 1 381 41 41 PRO C C 176.405 0.300 1 382 41 41 PRO CA C 63.143 0.300 1 383 41 41 PRO CB C 32.116 0.300 1 384 41 41 PRO CD C 50.568 0.300 1 385 41 41 PRO CG C 27.397 0.300 1 386 42 42 HIS H H 8.501 0.030 1 387 42 42 HIS HA H 4.538 0.030 1 388 42 42 HIS HB2 H 3.063 0.030 1 389 42 42 HIS HB3 H 3.063 0.030 1 390 42 42 HIS CA C 56.290 0.300 1 391 42 42 HIS CB C 30.792 0.300 1 392 42 42 HIS N N 120.736 0.300 1 393 43 43 LYS H H 8.057 0.030 1 394 43 43 LYS HA H 4.335 0.030 1 395 43 43 LYS HB2 H 1.626 0.030 2 396 43 43 LYS HB3 H 1.534 0.030 2 397 43 43 LYS HD2 H 1.595 0.030 1 398 43 43 LYS HD3 H 1.595 0.030 1 399 43 43 LYS HE2 H 2.888 0.030 1 400 43 43 LYS HE3 H 2.888 0.030 1 401 43 43 LYS HG2 H 1.294 0.030 2 402 43 43 LYS HG3 H 1.209 0.030 2 403 43 43 LYS CA C 54.931 0.300 1 404 43 43 LYS CB C 33.780 0.300 1 405 43 43 LYS CD C 29.051 0.300 1 406 43 43 LYS CE C 42.064 0.300 1 407 43 43 LYS CG C 24.538 0.300 1 408 43 43 LYS N N 121.316 0.300 1 409 45 45 GLN H H 8.369 0.030 1 410 45 45 GLN HA H 4.229 0.030 1 411 45 45 GLN HB2 H 1.873 0.030 1 412 45 45 GLN HB3 H 1.873 0.030 1 413 45 45 GLN HE21 H 7.376 0.030 2 414 45 45 GLN HE22 H 6.818 0.030 2 415 45 45 GLN HG2 H 2.178 0.030 1 416 45 45 GLN HG3 H 2.178 0.030 1 417 45 45 GLN C C 175.314 0.300 1 418 45 45 GLN CA C 55.868 0.300 1 419 45 45 GLN CB C 29.671 0.300 1 420 45 45 GLN CG C 33.712 0.300 1 421 45 45 GLN N N 121.279 0.300 1 422 45 45 GLN NE2 N 112.327 0.300 1 423 46 46 VAL H H 8.051 0.030 1 424 46 46 VAL HA H 4.032 0.030 1 425 46 46 VAL HB H 1.915 0.030 1 426 46 46 VAL HG1 H 0.788 0.030 1 427 46 46 VAL C C 175.442 0.300 1 428 46 46 VAL CA C 62.172 0.300 1 429 46 46 VAL CB C 32.861 0.300 1 430 46 46 VAL CG1 C 20.565 0.300 1 431 46 46 VAL N N 120.954 0.300 1 432 47 47 TRP H H 8.179 0.030 1 433 47 47 TRP HA H 4.659 0.030 1 434 47 47 TRP HB2 H 3.176 0.030 2 435 47 47 TRP HB3 H 3.068 0.030 2 436 47 47 TRP HD1 H 7.120 0.030 1 437 47 47 TRP HE1 H 10.008 0.030 1 438 47 47 TRP HE3 H 7.508 0.030 1 439 47 47 TRP HH2 H 7.149 0.030 1 440 47 47 TRP HZ2 H 7.402 0.030 1 441 47 47 TRP HZ3 H 7.075 0.030 1 442 47 47 TRP C C 175.723 0.300 1 443 47 47 TRP CA C 57.106 0.300 1 444 47 47 TRP CB C 29.822 0.300 1 445 47 47 TRP CD1 C 126.996 0.300 1 446 47 47 TRP CE3 C 120.870 0.300 1 447 47 47 TRP CH2 C 124.469 0.300 1 448 47 47 TRP CZ2 C 114.472 0.300 1 449 47 47 TRP CZ3 C 121.934 0.300 1 450 47 47 TRP N N 125.087 0.300 1 451 47 47 TRP NE1 N 129.279 0.300 1 452 48 48 VAL H H 7.896 0.030 1 453 48 48 VAL HA H 4.032 0.030 1 454 48 48 VAL HB H 1.921 0.030 1 455 48 48 VAL HG1 H 0.811 0.030 1 456 48 48 VAL HG2 H 0.753 0.030 1 457 48 48 VAL C C 175.477 0.300 1 458 48 48 VAL CA C 62.305 0.300 1 459 48 48 VAL CB C 33.103 0.300 1 460 48 48 VAL CG1 C 20.976 0.300 2 461 48 48 VAL CG2 C 20.996 0.300 2 462 48 48 VAL N N 122.528 0.300 1 463 49 49 SER H H 8.133 0.030 1 464 49 49 SER HA H 4.283 0.030 1 465 49 49 SER HB2 H 3.765 0.030 1 466 49 49 SER HB3 H 3.765 0.030 1 467 49 49 SER C C 174.406 0.300 1 468 49 49 SER CA C 58.153 0.300 1 469 49 49 SER CB C 64.013 0.300 1 470 49 49 SER N N 118.775 0.300 1 471 50 50 GLY H H 8.115 0.030 1 472 50 50 GLY HA2 H 4.061 0.030 2 473 50 50 GLY HA3 H 4.010 0.030 2 474 50 50 GLY C C 171.651 0.300 1 475 50 50 GLY CA C 44.643 0.300 1 476 50 50 GLY N N 110.717 0.300 1 477 51 51 PRO HA H 4.377 0.030 1 478 51 51 PRO HB2 H 2.225 0.030 2 479 51 51 PRO HB3 H 1.919 0.030 2 480 51 51 PRO HD2 H 3.542 0.030 1 481 51 51 PRO HD3 H 3.542 0.030 1 482 51 51 PRO HG2 H 1.951 0.030 1 483 51 51 PRO HG3 H 1.951 0.030 1 484 51 51 PRO C C 177.290 0.300 1 485 51 51 PRO CA C 63.150 0.300 1 486 51 51 PRO CB C 32.144 0.300 1 487 51 51 PRO CD C 49.755 0.300 1 488 51 51 PRO CG C 27.268 0.300 1 489 52 52 SER H H 8.452 0.030 1 490 52 52 SER C C 174.614 0.300 1 491 52 52 SER CA C 58.391 0.300 1 492 52 52 SER CB C 64.042 0.300 1 493 52 52 SER N N 116.292 0.300 1 stop_ save_