data_11343 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Solution structure of the RING domain of the RING finger and CHY zinc finger domain-containing protein 1 from Mus musculus ; _BMRB_accession_number 11343 _BMRB_flat_file_name bmr11343.str _Entry_type original _Submission_date 2010-08-10 _Accession_date 2010-08-10 _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 Miyamoto K. . . 2 Yoneyama M. . . 3 Koshiba S. . . 4 Watanabe S. . . 5 Harada T. . . 6 Kigawa T. . . 7 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" 284 "13C chemical shifts" 221 "15N chemical shifts" 46 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2011-08-19 original author . stop_ _Original_release_date 2011-08-19 save_ ############################# # Citation for this entry # ############################# save_citation_1 _Saveframe_category entry_citation _Citation_full . _Citation_title ; Solution structure of the RING domain of the RING finger and CHY zinc finger domain-containing protein 1 from Mus musculus ; _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 Miyamoto K. . . 2 Yoneyama M. . . 3 Koshiba S. . . 4 Watanabe S. . . 5 Harada T. . . 6 Kigawa T. . . 7 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 'RING finger and CHY zinc finger domain-containing protein 1' _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label 'RING domain' $entity_1 'ZINC ION no.1' $ZN 'ZINC ION no.2' $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 'RING domain' _Molecular_mass . _Mol_thiol_state 'all other bound' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 55 _Mol_residue_sequence ; GSSGSSGCPICLEDIHTSRV VAHVLPCGHLLHRTCYEEML KEGYRCPLCSGPSSG ; loop_ _Residue_seq_code _Residue_label 1 GLY 2 SER 3 SER 4 GLY 5 SER 6 SER 7 GLY 8 CYS 9 PRO 10 ILE 11 CYS 12 LEU 13 GLU 14 ASP 15 ILE 16 HIS 17 THR 18 SER 19 ARG 20 VAL 21 VAL 22 ALA 23 HIS 24 VAL 25 LEU 26 PRO 27 CYS 28 GLY 29 HIS 30 LEU 31 LEU 32 HIS 33 ARG 34 THR 35 CYS 36 TYR 37 GLU 38 GLU 39 MET 40 LEU 41 LYS 42 GLU 43 GLY 44 TYR 45 ARG 46 CYS 47 PRO 48 LEU 49 CYS 50 SER 51 GLY 52 PRO 53 SER 54 SER 55 GLY stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date 2015-09-23 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 2ECM "Solution Structure Of The Ring Domain Of The Ring Finger And Chy Zinc Finger Domain-Containing Protein 1 From Mus Musculus" 100.00 55 100.00 100.00 1.10e-29 REF XP_003479597 "PREDICTED: RING finger and CHY zinc finger domain-containing protein 1 [Cavia porcellus]" 76.36 171 100.00 100.00 9.33e-20 REF XP_006142996 "PREDICTED: RING finger and CHY zinc finger domain-containing protein 1 [Tupaia chinensis]" 76.36 261 97.62 100.00 6.18e-18 REF XP_013965461 "PREDICTED: RING finger and CHY zinc finger domain-containing protein 1 isoform X3 [Canis lupus familiaris]" 67.27 266 97.30 100.00 2.96e-16 REF XP_013965464 "PREDICTED: RING finger and CHY zinc finger domain-containing protein 1 isoform X7 [Canis lupus familiaris]" 67.27 244 97.30 100.00 4.03e-14 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 'house mouse' 10090 Eukaryota Metazoa Mus musculus stop_ save_ ######################### # Experimental source # ######################### save_experimental_source _Saveframe_category experimental_source loop_ _Mol_label _Production_method _Host_organism_name_common _Genus _Species _Strain _Vector_type _Vector_name $entity_1 'cell free synthesis' 'E. coli' Escherichia coli . plasmid P060911-23 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Saveframe_category sample _Sample_type solution _Details ; 1.13mM RING domain {U-13C,15N;} 20mM {d-Tris-HCl(pH7.0);} 100mM {NaCl;} 1mM {d-DTT;} 0.02% {NaN3;} 0.05mM {ZNCl2;} 1.0mM {IDA;} 90% H2O, 10% D2O ; loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $entity_1 1.13 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 1.0 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 20031121 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 296 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 'RING domain' _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 4 4 GLY HA2 H 4.006 0.030 1 2 4 4 GLY HA3 H 4.006 0.030 1 3 4 4 GLY C C 174.214 0.300 1 4 4 4 GLY CA C 45.404 0.300 1 5 5 5 SER H H 8.232 0.030 1 6 5 5 SER HA H 4.597 0.030 1 7 5 5 SER HB2 H 3.823 0.030 1 8 5 5 SER HB3 H 3.823 0.030 1 9 5 5 SER C C 174.510 0.300 1 10 5 5 SER CA C 58.231 0.300 1 11 5 5 SER CB C 63.964 0.300 1 12 5 5 SER N N 115.834 0.300 1 13 6 6 SER H H 8.451 0.030 1 14 6 6 SER HA H 4.552 0.030 1 15 6 6 SER HB2 H 3.845 0.030 1 16 6 6 SER HB3 H 3.845 0.030 1 17 6 6 SER C C 173.971 0.300 1 18 6 6 SER CA C 58.156 0.300 1 19 6 6 SER CB C 64.015 0.300 1 20 6 6 SER N N 117.814 0.300 1 21 7 7 GLY H H 8.297 0.030 1 22 7 7 GLY HA2 H 3.530 0.030 2 23 7 7 GLY HA3 H 4.120 0.030 2 24 7 7 GLY C C 173.477 0.300 1 25 7 7 GLY CA C 44.654 0.300 1 26 7 7 GLY N N 109.877 0.300 1 27 8 8 CYS H H 8.464 0.030 1 28 8 8 CYS HA H 4.755 0.030 1 29 8 8 CYS HB2 H 3.616 0.030 2 30 8 8 CYS HB3 H 2.458 0.030 2 31 8 8 CYS C C 176.154 0.300 1 32 8 8 CYS CA C 56.448 0.300 1 33 8 8 CYS CB C 31.645 0.300 1 34 8 8 CYS N N 127.024 0.300 1 35 9 9 PRO HA H 4.478 0.030 1 36 9 9 PRO HB2 H 1.916 0.030 2 37 9 9 PRO HB3 H 2.177 0.030 2 38 9 9 PRO HD2 H 3.994 0.030 2 39 9 9 PRO HD3 H 4.460 0.030 2 40 9 9 PRO HG2 H 1.939 0.030 2 41 9 9 PRO HG3 H 1.794 0.030 2 42 9 9 PRO C C 175.602 0.300 1 43 9 9 PRO CA C 63.846 0.300 1 44 9 9 PRO CB C 32.259 0.300 1 45 9 9 PRO CD C 51.007 0.300 1 46 9 9 PRO CG C 27.241 0.300 1 47 10 10 ILE H H 8.504 0.030 1 48 10 10 ILE HA H 4.158 0.030 1 49 10 10 ILE HB H 2.149 0.030 1 50 10 10 ILE HD1 H 0.903 0.030 1 51 10 10 ILE HG12 H 1.483 0.030 1 52 10 10 ILE HG13 H 1.483 0.030 1 53 10 10 ILE HG2 H 1.000 0.030 1 54 10 10 ILE C C 175.960 0.300 1 55 10 10 ILE CA C 62.474 0.300 1 56 10 10 ILE CB C 37.136 0.300 1 57 10 10 ILE CD1 C 12.052 0.300 1 58 10 10 ILE CG1 C 28.348 0.300 1 59 10 10 ILE CG2 C 16.415 0.300 1 60 10 10 ILE N N 121.135 0.300 1 61 11 11 CYS H H 7.530 0.030 1 62 11 11 CYS HA H 4.833 0.030 1 63 11 11 CYS HB2 H 2.939 0.030 2 64 11 11 CYS HB3 H 3.242 0.030 2 65 11 11 CYS C C 175.806 0.300 1 66 11 11 CYS CA C 58.362 0.300 1 67 11 11 CYS CB C 31.547 0.300 1 68 11 11 CYS N N 116.085 0.300 1 69 12 12 LEU H H 7.945 0.030 1 70 12 12 LEU HA H 4.231 0.030 1 71 12 12 LEU HB2 H 1.649 0.030 2 72 12 12 LEU HB3 H 2.198 0.030 2 73 12 12 LEU HD1 H 0.874 0.030 1 74 12 12 LEU HD2 H 0.804 0.030 1 75 12 12 LEU HG H 1.407 0.030 1 76 12 12 LEU C C 176.629 0.300 1 77 12 12 LEU CA C 57.133 0.300 1 78 12 12 LEU CB C 38.276 0.300 1 79 12 12 LEU CD1 C 25.166 0.300 2 80 12 12 LEU CD2 C 22.658 0.300 2 81 12 12 LEU CG C 27.405 0.300 1 82 12 12 LEU N N 118.266 0.300 1 83 13 13 GLU H H 8.570 0.030 1 84 13 13 GLU HA H 4.653 0.030 1 85 13 13 GLU HB2 H 2.218 0.030 1 86 13 13 GLU HB3 H 2.218 0.030 1 87 13 13 GLU HG2 H 2.400 0.030 2 88 13 13 GLU HG3 H 2.286 0.030 2 89 13 13 GLU C C 176.640 0.300 1 90 13 13 GLU CA C 55.490 0.300 1 91 13 13 GLU CB C 31.346 0.300 1 92 13 13 GLU CG C 36.156 0.300 1 93 13 13 GLU N N 120.741 0.300 1 94 14 14 ASP H H 8.733 0.030 1 95 14 14 ASP HA H 4.507 0.030 1 96 14 14 ASP HB2 H 2.535 0.030 2 97 14 14 ASP HB3 H 2.424 0.030 2 98 14 14 ASP C C 176.979 0.300 1 99 14 14 ASP CA C 55.403 0.300 1 100 14 14 ASP CB C 41.625 0.300 1 101 14 14 ASP N N 121.194 0.300 1 102 15 15 ILE H H 8.665 0.030 1 103 15 15 ILE HA H 3.922 0.030 1 104 15 15 ILE HB H 1.525 0.030 1 105 15 15 ILE HD1 H 0.312 0.030 1 106 15 15 ILE HG12 H 1.208 0.030 2 107 15 15 ILE HG13 H 0.125 0.030 2 108 15 15 ILE HG2 H 0.505 0.030 1 109 15 15 ILE C C 175.500 0.300 1 110 15 15 ILE CA C 60.970 0.300 1 111 15 15 ILE CB C 38.873 0.300 1 112 15 15 ILE CD1 C 13.479 0.300 1 113 15 15 ILE CG1 C 27.593 0.300 1 114 15 15 ILE CG2 C 17.412 0.300 1 115 15 15 ILE N N 122.887 0.300 1 116 16 16 HIS H H 8.455 0.030 1 117 16 16 HIS HA H 4.767 0.030 1 118 16 16 HIS HB2 H 3.151 0.030 1 119 16 16 HIS HB3 H 3.151 0.030 1 120 16 16 HIS HD2 H 7.093 0.030 1 121 16 16 HIS HE1 H 7.856 0.030 1 122 16 16 HIS C C 176.429 0.300 1 123 16 16 HIS CA C 56.505 0.300 1 124 16 16 HIS CB C 30.410 0.300 1 125 16 16 HIS CD2 C 119.253 0.300 1 126 16 16 HIS CE1 C 138.533 0.300 1 127 16 16 HIS N N 124.407 0.300 1 128 17 17 THR H H 8.099 0.030 1 129 17 17 THR HA H 4.335 0.030 1 130 17 17 THR HB H 4.393 0.030 1 131 17 17 THR HG2 H 1.205 0.030 1 132 17 17 THR C C 174.923 0.300 1 133 17 17 THR CA C 63.091 0.300 1 134 17 17 THR CB C 68.960 0.300 1 135 17 17 THR CG2 C 21.976 0.300 1 136 17 17 THR N N 114.571 0.300 1 137 18 18 SER H H 8.012 0.030 1 138 18 18 SER HA H 4.468 0.030 1 139 18 18 SER HB2 H 4.031 0.030 2 140 18 18 SER HB3 H 3.946 0.030 2 141 18 18 SER C C 175.049 0.300 1 142 18 18 SER CA C 59.105 0.300 1 143 18 18 SER CB C 63.667 0.300 1 144 19 19 ARG H H 8.322 0.030 1 145 19 19 ARG HA H 4.368 0.030 1 146 19 19 ARG HB2 H 1.859 0.030 2 147 19 19 ARG HB3 H 1.969 0.030 2 148 19 19 ARG HD2 H 3.178 0.030 1 149 19 19 ARG HD3 H 3.178 0.030 1 150 19 19 ARG HG2 H 1.637 0.030 1 151 19 19 ARG HG3 H 1.637 0.030 1 152 19 19 ARG C C 176.137 0.300 1 153 19 19 ARG CA C 57.194 0.300 1 154 19 19 ARG CB C 31.072 0.300 1 155 19 19 ARG CD C 43.246 0.300 1 156 19 19 ARG CG C 27.451 0.300 1 157 19 19 ARG N N 120.678 0.300 1 158 20 20 VAL H H 7.833 0.030 1 159 20 20 VAL HA H 4.382 0.030 1 160 20 20 VAL HB H 2.169 0.030 1 161 20 20 VAL HG1 H 1.052 0.030 1 162 20 20 VAL HG2 H 0.982 0.030 1 163 20 20 VAL C C 175.230 0.300 1 164 20 20 VAL CA C 61.273 0.300 1 165 20 20 VAL CB C 33.760 0.300 1 166 20 20 VAL CG1 C 21.617 0.300 2 167 20 20 VAL CG2 C 20.541 0.300 2 168 20 20 VAL N N 117.095 0.300 1 169 21 21 VAL H H 8.105 0.030 1 170 21 21 VAL HA H 4.161 0.030 1 171 21 21 VAL HB H 2.176 0.030 1 172 21 21 VAL HG1 H 1.045 0.030 1 173 21 21 VAL HG2 H 1.040 0.030 1 174 21 21 VAL C C 175.745 0.300 1 175 21 21 VAL CA C 62.603 0.300 1 176 21 21 VAL CB C 32.199 0.300 1 177 21 21 VAL CG1 C 20.889 0.300 2 178 21 21 VAL CG2 C 21.473 0.300 2 179 21 21 VAL N N 121.552 0.300 1 180 22 22 ALA H H 8.499 0.030 1 181 22 22 ALA HA H 4.660 0.030 1 182 22 22 ALA HB H 1.283 0.030 1 183 22 22 ALA C C 176.190 0.300 1 184 22 22 ALA CA C 51.502 0.300 1 185 22 22 ALA CB C 20.900 0.300 1 186 22 22 ALA N N 128.665 0.300 1 187 23 23 HIS H H 9.046 0.030 1 188 23 23 HIS HA H 4.513 0.030 1 189 23 23 HIS HB2 H 2.480 0.030 2 190 23 23 HIS HB3 H 2.653 0.030 2 191 23 23 HIS HD2 H 5.762 0.030 1 192 23 23 HIS HE1 H 7.476 0.030 1 193 23 23 HIS C C 172.982 0.300 1 194 23 23 HIS CA C 56.256 0.300 1 195 23 23 HIS CB C 33.752 0.300 1 196 23 23 HIS CD2 C 117.544 0.300 1 197 23 23 HIS CE1 C 138.648 0.300 1 198 23 23 HIS N N 121.310 0.300 1 199 24 24 VAL H H 7.529 0.030 1 200 24 24 VAL HA H 4.158 0.030 1 201 24 24 VAL HB H 1.693 0.030 1 202 24 24 VAL HG1 H 0.785 0.030 1 203 24 24 VAL HG2 H 0.755 0.030 1 204 24 24 VAL C C 175.820 0.300 1 205 24 24 VAL CA C 61.016 0.300 1 206 24 24 VAL CB C 32.017 0.300 1 207 24 24 VAL CG1 C 20.624 0.300 2 208 24 24 VAL CG2 C 20.631 0.300 2 209 24 24 VAL N N 126.808 0.300 1 210 25 25 LEU H H 8.403 0.030 1 211 25 25 LEU HA H 4.449 0.030 1 212 25 25 LEU HB2 H 1.915 0.030 2 213 25 25 LEU HB3 H 2.369 0.030 2 214 25 25 LEU HD1 H 1.093 0.030 1 215 25 25 LEU HD2 H 1.134 0.030 1 216 25 25 LEU HG H 1.748 0.030 1 217 25 25 LEU C C 177.840 0.300 1 218 25 25 LEU CA C 54.655 0.300 1 219 25 25 LEU CB C 43.903 0.300 1 220 25 25 LEU CD1 C 26.194 0.300 2 221 25 25 LEU CD2 C 23.592 0.300 2 222 25 25 LEU CG C 28.300 0.300 1 223 25 25 LEU N N 127.526 0.300 1 224 26 26 PRO HA H 4.297 0.030 1 225 26 26 PRO HB2 H 1.970 0.030 2 226 26 26 PRO HB3 H 2.440 0.030 2 227 26 26 PRO HD2 H 3.889 0.030 2 228 26 26 PRO HD3 H 4.027 0.030 2 229 26 26 PRO HG2 H 2.089 0.030 2 230 26 26 PRO HG3 H 2.208 0.030 2 231 26 26 PRO C C 176.511 0.300 1 232 26 26 PRO CA C 65.546 0.300 1 233 26 26 PRO CB C 31.660 0.300 1 234 26 26 PRO CD C 50.590 0.300 1 235 26 26 PRO CG C 27.989 0.300 1 236 27 27 CYS H H 7.281 0.030 1 237 27 27 CYS HA H 4.416 0.030 1 238 27 27 CYS HB2 H 2.821 0.030 2 239 27 27 CYS HB3 H 2.924 0.030 2 240 27 27 CYS C C 176.022 0.300 1 241 27 27 CYS CA C 57.105 0.300 1 242 27 27 CYS CB C 31.789 0.300 1 243 27 27 CYS N N 111.426 0.300 1 244 28 28 GLY H H 8.235 0.030 1 245 28 28 GLY HA2 H 3.333 0.030 2 246 28 28 GLY HA3 H 4.111 0.030 2 247 28 28 GLY C C 173.933 0.300 1 248 28 28 GLY CA C 44.755 0.300 1 249 28 28 GLY N N 111.442 0.300 1 250 29 29 HIS H H 8.018 0.030 1 251 29 29 HIS HA H 4.624 0.030 1 252 29 29 HIS HB2 H 2.907 0.030 2 253 29 29 HIS HB3 H 3.295 0.030 2 254 29 29 HIS HD2 H 7.308 0.030 1 255 29 29 HIS HE1 H 7.802 0.030 1 256 29 29 HIS C C 173.092 0.300 1 257 29 29 HIS CA C 59.618 0.300 1 258 29 29 HIS CB C 30.960 0.300 1 259 29 29 HIS CD2 C 118.978 0.300 1 260 29 29 HIS CE1 C 137.874 0.300 1 261 29 29 HIS N N 121.889 0.300 1 262 30 30 LEU H H 8.174 0.030 1 263 30 30 LEU HA H 5.004 0.030 1 264 30 30 LEU HB2 H 1.295 0.030 2 265 30 30 LEU HB3 H 1.548 0.030 2 266 30 30 LEU HD1 H 0.735 0.030 1 267 30 30 LEU HD2 H 0.837 0.030 1 268 30 30 LEU HG H 1.558 0.030 1 269 30 30 LEU C C 175.619 0.300 1 270 30 30 LEU CA C 54.679 0.300 1 271 30 30 LEU CB C 45.129 0.300 1 272 30 30 LEU CD1 C 25.610 0.300 2 273 30 30 LEU CD2 C 25.200 0.300 2 274 30 30 LEU CG C 27.998 0.300 1 275 30 30 LEU N N 121.119 0.300 1 276 31 31 LEU H H 8.518 0.030 1 277 31 31 LEU HA H 5.158 0.030 1 278 31 31 LEU HB2 H 1.624 0.030 2 279 31 31 LEU HB3 H 1.916 0.030 2 280 31 31 LEU HD1 H 1.027 0.030 1 281 31 31 LEU HD2 H 1.082 0.030 1 282 31 31 LEU HG H 1.898 0.030 1 283 31 31 LEU C C 178.009 0.300 1 284 31 31 LEU CA C 53.451 0.300 1 285 31 31 LEU CB C 47.146 0.300 1 286 31 31 LEU CD1 C 26.480 0.300 2 287 31 31 LEU CD2 C 26.074 0.300 2 288 31 31 LEU CG C 28.707 0.300 1 289 31 31 LEU N N 119.068 0.300 1 290 32 32 HIS H H 7.667 0.030 1 291 32 32 HIS HA H 4.653 0.030 1 292 32 32 HIS HB2 H 3.659 0.030 2 293 32 32 HIS HB3 H 3.901 0.030 2 294 32 32 HIS HD2 H 7.249 0.030 1 295 32 32 HIS HE1 H 7.413 0.030 1 296 32 32 HIS C C 177.062 0.300 1 297 32 32 HIS CA C 59.961 0.300 1 298 32 32 HIS CB C 31.243 0.300 1 299 32 32 HIS CD2 C 117.641 0.300 1 300 32 32 HIS CE1 C 139.356 0.300 1 301 32 32 HIS N N 117.431 0.300 1 302 33 33 ARG H H 9.536 0.030 1 303 33 33 ARG HA H 4.054 0.030 1 304 33 33 ARG HB2 H 2.045 0.030 2 305 33 33 ARG HB3 H 1.944 0.030 2 306 33 33 ARG HD2 H 3.270 0.030 1 307 33 33 ARG HD3 H 3.270 0.030 1 308 33 33 ARG HG2 H 1.821 0.030 2 309 33 33 ARG HG3 H 1.733 0.030 2 310 33 33 ARG C C 178.295 0.300 1 311 33 33 ARG CA C 60.707 0.300 1 312 33 33 ARG CB C 29.341 0.300 1 313 33 33 ARG CD C 43.045 0.300 1 314 33 33 ARG CG C 27.206 0.300 1 315 33 33 ARG N N 125.068 0.300 1 316 34 34 THR H H 8.421 0.030 1 317 34 34 THR HA H 4.083 0.030 1 318 34 34 THR HB H 4.247 0.030 1 319 34 34 THR HG2 H 1.330 0.030 1 320 34 34 THR C C 177.356 0.300 1 321 34 34 THR CA C 65.124 0.300 1 322 34 34 THR CB C 67.692 0.300 1 323 34 34 THR CG2 C 22.854 0.300 1 324 34 34 THR N N 109.952 0.300 1 325 35 35 CYS H H 6.832 0.030 1 326 35 35 CYS HA H 4.053 0.030 1 327 35 35 CYS HB2 H 2.926 0.030 2 328 35 35 CYS HB3 H 3.101 0.030 2 329 35 35 CYS C C 176.673 0.300 1 330 35 35 CYS CA C 63.433 0.300 1 331 35 35 CYS CB C 28.701 0.300 1 332 35 35 CYS N N 122.750 0.300 1 333 36 36 TYR H H 8.450 0.030 1 334 36 36 TYR HA H 4.189 0.030 1 335 36 36 TYR HB2 H 2.897 0.030 2 336 36 36 TYR HB3 H 3.105 0.030 2 337 36 36 TYR HD1 H 6.726 0.030 1 338 36 36 TYR HD2 H 6.726 0.030 1 339 36 36 TYR HE1 H 6.534 0.030 1 340 36 36 TYR HE2 H 6.534 0.030 1 341 36 36 TYR C C 176.086 0.300 1 342 36 36 TYR CA C 60.324 0.300 1 343 36 36 TYR CB C 37.653 0.300 1 344 36 36 TYR CD1 C 132.483 0.300 1 345 36 36 TYR CD2 C 132.483 0.300 1 346 36 36 TYR CE1 C 117.935 0.300 1 347 36 36 TYR CE2 C 117.935 0.300 1 348 36 36 TYR N N 119.933 0.300 1 349 37 37 GLU H H 8.015 0.030 1 350 37 37 GLU HA H 3.529 0.030 1 351 37 37 GLU HB2 H 1.975 0.030 2 352 37 37 GLU HB3 H 2.149 0.030 2 353 37 37 GLU HG2 H 2.543 0.030 2 354 37 37 GLU HG3 H 2.237 0.030 2 355 37 37 GLU C C 179.650 0.300 1 356 37 37 GLU CA C 59.606 0.300 1 357 37 37 GLU CB C 28.956 0.300 1 358 37 37 GLU CG C 36.779 0.300 1 359 37 37 GLU N N 117.360 0.300 1 360 38 38 GLU H H 7.662 0.030 1 361 38 38 GLU HA H 4.031 0.030 1 362 38 38 GLU HB2 H 2.154 0.030 1 363 38 38 GLU HB3 H 2.154 0.030 1 364 38 38 GLU HG2 H 2.293 0.030 2 365 38 38 GLU HG3 H 2.375 0.030 2 366 38 38 GLU C C 177.833 0.300 1 367 38 38 GLU CA C 58.950 0.300 1 368 38 38 GLU CB C 29.303 0.300 1 369 38 38 GLU CG C 35.953 0.300 1 370 38 38 GLU N N 119.414 0.300 1 371 39 39 MET H H 7.955 0.030 1 372 39 39 MET HA H 3.663 0.030 1 373 39 39 MET HB2 H 1.916 0.030 2 374 39 39 MET HB3 H 2.198 0.030 2 375 39 39 MET HE H 2.086 0.030 1 376 39 39 MET HG2 H 2.228 0.030 2 377 39 39 MET HG3 H 1.924 0.030 2 378 39 39 MET C C 178.305 0.300 1 379 39 39 MET CA C 58.371 0.300 1 380 39 39 MET CB C 32.344 0.300 1 381 39 39 MET CE C 18.020 0.300 1 382 39 39 MET CG C 32.673 0.300 1 383 39 39 MET N N 121.010 0.300 1 384 40 40 LEU H H 8.031 0.030 1 385 40 40 LEU HA H 3.856 0.030 1 386 40 40 LEU HB2 H 1.403 0.030 2 387 40 40 LEU HB3 H 1.281 0.030 2 388 40 40 LEU HD1 H 0.567 0.030 1 389 40 40 LEU HD2 H 0.666 0.030 1 390 40 40 LEU HG H 1.181 0.030 1 391 40 40 LEU C C 179.596 0.300 1 392 40 40 LEU CA C 57.015 0.300 1 393 40 40 LEU CB C 41.849 0.300 1 394 40 40 LEU CD1 C 24.579 0.300 2 395 40 40 LEU CD2 C 23.053 0.300 2 396 40 40 LEU CG C 26.135 0.300 1 397 40 40 LEU N N 119.190 0.300 1 398 41 41 LYS H H 7.570 0.030 1 399 41 41 LYS HA H 3.945 0.030 1 400 41 41 LYS HB2 H 1.883 0.030 1 401 41 41 LYS HB3 H 1.883 0.030 1 402 41 41 LYS HD2 H 1.656 0.030 1 403 41 41 LYS HD3 H 1.656 0.030 1 404 41 41 LYS HE2 H 2.913 0.030 1 405 41 41 LYS HE3 H 2.913 0.030 1 406 41 41 LYS HG2 H 1.359 0.030 2 407 41 41 LYS HG3 H 1.498 0.030 2 408 41 41 LYS C C 178.271 0.300 1 409 41 41 LYS CA C 58.863 0.300 1 410 41 41 LYS CB C 32.673 0.300 1 411 41 41 LYS CD C 29.238 0.300 1 412 41 41 LYS CE C 42.042 0.300 1 413 41 41 LYS CG C 24.848 0.300 1 414 41 41 LYS N N 119.630 0.300 1 415 42 42 GLU H H 7.927 0.030 1 416 42 42 GLU HA H 4.246 0.030 1 417 42 42 GLU HB2 H 1.730 0.030 2 418 42 42 GLU HB3 H 2.092 0.030 2 419 42 42 GLU HG2 H 2.257 0.030 2 420 42 42 GLU HG3 H 2.391 0.030 2 421 42 42 GLU C C 177.758 0.300 1 422 42 42 GLU CA C 56.804 0.300 1 423 42 42 GLU CB C 30.501 0.300 1 424 42 42 GLU CG C 36.256 0.300 1 425 42 42 GLU N N 116.547 0.300 1 426 43 43 GLY H H 7.988 0.030 1 427 43 43 GLY HA2 H 3.764 0.030 2 428 43 43 GLY HA3 H 4.059 0.030 2 429 43 43 GLY C C 174.196 0.300 1 430 43 43 GLY CA C 45.994 0.300 1 431 43 43 GLY N N 107.857 0.300 1 432 44 44 TYR H H 7.270 0.030 1 433 44 44 TYR HA H 4.726 0.030 1 434 44 44 TYR HB2 H 3.113 0.030 2 435 44 44 TYR HB3 H 3.030 0.030 2 436 44 44 TYR HD1 H 7.092 0.030 1 437 44 44 TYR HD2 H 7.092 0.030 1 438 44 44 TYR HE1 H 6.752 0.030 1 439 44 44 TYR HE2 H 6.752 0.030 1 440 44 44 TYR C C 174.700 0.300 1 441 44 44 TYR CA C 56.163 0.300 1 442 44 44 TYR CB C 38.905 0.300 1 443 44 44 TYR CD1 C 133.277 0.300 1 444 44 44 TYR CD2 C 133.277 0.300 1 445 44 44 TYR CE1 C 118.099 0.300 1 446 44 44 TYR CE2 C 118.099 0.300 1 447 44 44 TYR N N 117.758 0.300 1 448 45 45 ARG H H 8.001 0.030 1 449 45 45 ARG HA H 4.386 0.030 1 450 45 45 ARG HB2 H 1.819 0.030 2 451 45 45 ARG HB3 H 1.651 0.030 2 452 45 45 ARG HD2 H 3.173 0.030 1 453 45 45 ARG HD3 H 3.173 0.030 1 454 45 45 ARG HG2 H 1.597 0.030 1 455 45 45 ARG HG3 H 1.597 0.030 1 456 45 45 ARG C C 174.989 0.300 1 457 45 45 ARG CA C 54.748 0.300 1 458 45 45 ARG CB C 31.937 0.300 1 459 45 45 ARG CD C 43.335 0.300 1 460 45 45 ARG CG C 27.286 0.300 1 461 45 45 ARG N N 120.697 0.300 1 462 46 46 CYS H H 8.671 0.030 1 463 46 46 CYS HA H 4.258 0.030 1 464 46 46 CYS HB2 H 3.070 0.030 2 465 46 46 CYS HB3 H 2.964 0.030 2 466 46 46 CYS C C 176.678 0.300 1 467 46 46 CYS CA C 57.686 0.300 1 468 46 46 CYS CB C 30.728 0.300 1 469 46 46 CYS N N 123.482 0.300 1 470 47 47 PRO HA H 4.452 0.030 1 471 47 47 PRO HB2 H 1.861 0.030 2 472 47 47 PRO HB3 H 2.421 0.030 2 473 47 47 PRO HD2 H 3.718 0.030 2 474 47 47 PRO HD3 H 4.180 0.030 2 475 47 47 PRO HG2 H 2.026 0.030 2 476 47 47 PRO HG3 H 1.841 0.030 2 477 47 47 PRO C C 178.105 0.300 1 478 47 47 PRO CA C 64.276 0.300 1 479 47 47 PRO CB C 32.675 0.300 1 480 47 47 PRO CD C 51.502 0.300 1 481 47 47 PRO CG C 27.720 0.300 1 482 48 48 LEU H H 8.368 0.030 1 483 48 48 LEU HA H 4.237 0.030 1 484 48 48 LEU HB2 H 0.796 0.030 2 485 48 48 LEU HB3 H 0.738 0.030 2 486 48 48 LEU HD1 H 0.618 0.030 1 487 48 48 LEU HD2 H 0.735 0.030 1 488 48 48 LEU HG H 1.250 0.030 1 489 48 48 LEU C C 178.889 0.300 1 490 48 48 LEU CA C 56.117 0.300 1 491 48 48 LEU CB C 41.405 0.300 1 492 48 48 LEU CD1 C 25.207 0.300 2 493 48 48 LEU CD2 C 22.425 0.300 2 494 48 48 LEU CG C 27.271 0.300 1 495 48 48 LEU N N 120.091 0.300 1 496 49 49 CYS H H 8.057 0.030 1 497 49 49 CYS HA H 4.384 0.030 1 498 49 49 CYS HB2 H 2.866 0.030 2 499 49 49 CYS HB3 H 3.065 0.030 2 500 49 49 CYS C C 176.384 0.300 1 501 49 49 CYS CA C 62.988 0.300 1 502 49 49 CYS CB C 30.380 0.300 1 503 49 49 CYS N N 122.457 0.300 1 504 50 50 SER H H 7.904 0.030 1 505 50 50 SER HA H 4.439 0.030 1 506 50 50 SER HB2 H 3.870 0.030 1 507 50 50 SER HB3 H 3.870 0.030 1 508 50 50 SER C C 174.477 0.300 1 509 50 50 SER CA C 58.972 0.300 1 510 50 50 SER CB C 63.786 0.300 1 511 50 50 SER N N 114.280 0.300 1 512 51 51 GLY H H 8.002 0.030 1 513 51 51 GLY HA2 H 4.064 0.030 2 514 51 51 GLY HA3 H 4.182 0.030 2 515 51 51 GLY C C 171.724 0.300 1 516 51 51 GLY CA C 44.769 0.300 1 517 51 51 GLY N N 110.349 0.300 1 518 52 52 PRO HA H 4.476 0.030 1 519 52 52 PRO HB2 H 1.997 0.030 2 520 52 52 PRO HB3 H 2.297 0.030 2 521 52 52 PRO HD2 H 3.630 0.030 1 522 52 52 PRO HD3 H 3.630 0.030 1 523 52 52 PRO HG2 H 2.014 0.030 1 524 52 52 PRO HG3 H 2.014 0.030 1 525 52 52 PRO C C 177.460 0.300 1 526 52 52 PRO CA C 63.248 0.300 1 527 52 52 PRO CB C 32.213 0.300 1 528 52 52 PRO CD C 49.797 0.300 1 529 52 52 PRO CG C 27.092 0.300 1 530 53 53 SER H H 8.541 0.030 1 531 53 53 SER HA H 4.490 0.030 1 532 53 53 SER HB2 H 3.896 0.030 1 533 53 53 SER HB3 H 3.896 0.030 1 534 53 53 SER C C 174.681 0.300 1 535 53 53 SER CA C 58.411 0.300 1 536 53 53 SER CB C 63.632 0.300 1 537 53 53 SER N N 116.214 0.300 1 538 54 54 SER H H 8.289 0.030 1 539 54 54 SER HA H 4.495 0.030 1 540 54 54 SER HB2 H 3.883 0.030 1 541 54 54 SER HB3 H 3.883 0.030 1 542 54 54 SER C C 173.918 0.300 1 543 54 54 SER CA C 58.361 0.300 1 544 54 54 SER CB C 64.004 0.300 1 545 54 54 SER N N 117.689 0.300 1 546 55 55 GLY H H 8.066 0.030 1 547 55 55 GLY HA2 H 3.767 0.030 1 548 55 55 GLY HA3 H 3.767 0.030 1 549 55 55 GLY C C 179.009 0.300 1 550 55 55 GLY CA C 46.215 0.300 1 551 55 55 GLY N N 116.834 0.300 1 stop_ save_