data_11327 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Solution structure of the B-box domain of the human tripartite motif-containing 63 protein ; _BMRB_accession_number 11327 _BMRB_flat_file_name bmr11327.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 Kigawa T. . . 3 Tomizawa T. . . 4 Koshiba S. . . 5 Inoue M. . . 6 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" 327 "13C chemical shifts" 243 "15N chemical shifts" 54 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 B-box domain of the human tripartite motif-containing 63 protein ; _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 Kigawa T. . . 3 Tomizawa T. . . 4 Koshiba S. . . 5 Inoue M. . . 6 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 'Ubiquitin ligase TRIM63' _Enzyme_commission_number E.C.6.3.2.- loop_ _Mol_system_component_name _Mol_label 'zf-B box' $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 'zf-B box' _Molecular_mass . _Mol_thiol_state 'all other bound' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 64 _Mol_residue_sequence ; GSSGSSGHPMCKEHEDEKIN IYCLTCEVPTCSMCKVFGIH KACEVAPLQSVFQGQKTESG PSSG ; loop_ _Residue_seq_code _Residue_label 1 GLY 2 SER 3 SER 4 GLY 5 SER 6 SER 7 GLY 8 HIS 9 PRO 10 MET 11 CYS 12 LYS 13 GLU 14 HIS 15 GLU 16 ASP 17 GLU 18 LYS 19 ILE 20 ASN 21 ILE 22 TYR 23 CYS 24 LEU 25 THR 26 CYS 27 GLU 28 VAL 29 PRO 30 THR 31 CYS 32 SER 33 MET 34 CYS 35 LYS 36 VAL 37 PHE 38 GLY 39 ILE 40 HIS 41 LYS 42 ALA 43 CYS 44 GLU 45 VAL 46 ALA 47 PRO 48 LEU 49 GLN 50 SER 51 VAL 52 PHE 53 GLN 54 GLY 55 GLN 56 LYS 57 THR 58 GLU 59 SER 60 GLY 61 PRO 62 SER 63 SER 64 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 2D8U "Solution Structure Of The B-Box Domain Of The Human Tripartite Motif-Containing 63 Protein" 100.00 64 100.00 100.00 1.62e-37 DBJ BAB71318 "unnamed protein product [Homo sapiens]" 79.69 353 100.00 100.00 5.05e-28 DBJ BAG60157 "unnamed protein product [Homo sapiens]" 62.50 325 97.50 100.00 1.58e-18 EMBL CAC33173 "ring finger protein 28 [Homo sapiens]" 79.69 340 100.00 100.00 5.39e-28 EMBL CAC81706 "muscle specific RING finger 2 (MURF2) [Homo sapiens]" 79.69 353 100.00 100.00 5.05e-28 GB AAH80529 "Tripartite motif-containing 63 [Homo sapiens]" 79.69 353 100.00 100.00 5.05e-28 GB AAI12722 "Tripartite motif-containing 63 [Bos taurus]" 79.69 355 98.04 98.04 6.08e-27 GB AAK39519 "iris ring finger protein [Homo sapiens]" 79.69 353 100.00 100.00 5.05e-28 GB AAP36037 "ring finger protein 28 [Homo sapiens]" 81.25 346 98.08 98.08 3.54e-28 GB AAP36890 "Homo sapiens ring finger protein 28 [synthetic construct]" 81.25 347 98.08 98.08 3.30e-28 REF NP_001039760 "E3 ubiquitin-protein ligase TRIM63 [Bos taurus]" 79.69 355 98.04 98.04 6.08e-27 REF NP_001171685 "E3 ubiquitin-protein ligase TRIM63 [Sus scrofa]" 79.69 354 98.04 98.04 3.44e-27 REF NP_115977 "E3 ubiquitin-protein ligase TRIM63 [Homo sapiens]" 79.69 353 100.00 100.00 5.05e-28 REF XP_002811293 "PREDICTED: E3 ubiquitin-protein ligase TRIM63 isoform X1 [Pongo abelii]" 79.69 353 100.00 100.00 7.94e-28 REF XP_002811294 "PREDICTED: E3 ubiquitin-protein ligase TRIM63 isoform X2 [Pongo abelii]" 62.50 325 97.50 100.00 2.26e-18 SP Q969Q1 "RecName: Full=E3 ubiquitin-protein ligase TRIM63; AltName: Full=Iris RING finger protein; AltName: Full=Muscle-specific RING fi" 79.69 353 100.00 100.00 5.05e-28 TPG DAA32118 "TPA: tripartite motif-containing 63 [Bos taurus]" 79.69 355 98.04 98.04 6.08e-27 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 P050302-45 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Saveframe_category sample _Sample_type solution _Details ; 2.09mM zf-B_box 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 2.09 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 0.9321 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 700 _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 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 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 'zf-B box' _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 3.921 0.030 1 2 7 7 GLY HA3 H 3.921 0.030 1 3 7 7 GLY C C 173.480 0.300 1 4 7 7 GLY CA C 45.064 0.300 1 5 8 8 HIS H H 8.125 0.030 1 6 8 8 HIS HA H 4.805 0.030 1 7 8 8 HIS HB2 H 2.995 0.030 2 8 8 8 HIS HB3 H 3.100 0.030 2 9 8 8 HIS HD2 H 7.188 0.030 1 10 8 8 HIS HE1 H 7.954 0.030 1 11 8 8 HIS C C 173.586 0.300 1 12 8 8 HIS CA C 54.624 0.300 1 13 8 8 HIS CB C 30.907 0.300 1 14 8 8 HIS CD2 C 121.245 0.300 1 15 8 8 HIS CE1 C 138.556 0.300 1 16 8 8 HIS N N 121.217 0.300 1 17 9 9 PRO HA H 4.454 0.030 1 18 9 9 PRO HB2 H 1.912 0.030 2 19 9 9 PRO HB3 H 2.306 0.030 2 20 9 9 PRO HD2 H 3.765 0.030 2 21 9 9 PRO HD3 H 3.430 0.030 2 22 9 9 PRO HG2 H 2.012 0.030 1 23 9 9 PRO HG3 H 2.012 0.030 1 24 9 9 PRO C C 175.926 0.300 1 25 9 9 PRO CA C 63.336 0.300 1 26 9 9 PRO CB C 32.151 0.300 1 27 9 9 PRO CD C 50.718 0.300 1 28 9 9 PRO CG C 27.402 0.300 1 29 10 10 MET H H 8.305 0.030 1 30 10 10 MET HA H 5.282 0.030 1 31 10 10 MET HB2 H 1.834 0.030 2 32 10 10 MET HB3 H 2.111 0.030 2 33 10 10 MET HE H 1.938 0.030 1 34 10 10 MET HG2 H 2.715 0.030 1 35 10 10 MET HG3 H 2.715 0.030 1 36 10 10 MET C C 176.375 0.300 1 37 10 10 MET CA C 52.581 0.300 1 38 10 10 MET CB C 32.887 0.300 1 39 10 10 MET CE C 16.674 0.300 1 40 10 10 MET CG C 32.329 0.300 1 41 10 10 MET N N 120.246 0.300 1 42 11 11 CYS H H 8.760 0.030 1 43 11 11 CYS HA H 4.063 0.030 1 44 11 11 CYS HB2 H 3.692 0.030 2 45 11 11 CYS HB3 H 2.742 0.030 2 46 11 11 CYS C C 176.027 0.300 1 47 11 11 CYS CA C 60.529 0.300 1 48 11 11 CYS CB C 28.493 0.300 1 49 11 11 CYS N N 125.140 0.300 1 50 12 12 LYS H H 8.490 0.030 1 51 12 12 LYS HA H 4.094 0.030 1 52 12 12 LYS HB2 H 1.882 0.030 1 53 12 12 LYS HB3 H 1.882 0.030 1 54 12 12 LYS HD2 H 1.727 0.030 1 55 12 12 LYS HD3 H 1.727 0.030 1 56 12 12 LYS HE2 H 3.028 0.030 1 57 12 12 LYS HE3 H 3.028 0.030 1 58 12 12 LYS HG2 H 1.510 0.030 2 59 12 12 LYS HG3 H 1.569 0.030 2 60 12 12 LYS C C 177.514 0.300 1 61 12 12 LYS CA C 58.508 0.300 1 62 12 12 LYS CB C 32.660 0.300 1 63 12 12 LYS CD C 28.968 0.300 1 64 12 12 LYS CE C 41.853 0.300 1 65 12 12 LYS CG C 25.159 0.300 1 66 12 12 LYS N N 127.057 0.300 1 67 13 13 GLU H H 8.942 0.030 1 68 13 13 GLU HA H 4.149 0.030 1 69 13 13 GLU HB2 H 1.467 0.030 2 70 13 13 GLU HB3 H 1.575 0.030 2 71 13 13 GLU HG2 H 1.826 0.030 2 72 13 13 GLU HG3 H 1.935 0.030 2 73 13 13 GLU C C 176.251 0.300 1 74 13 13 GLU CA C 57.026 0.300 1 75 13 13 GLU CB C 30.667 0.300 1 76 13 13 GLU CG C 35.511 0.300 1 77 13 13 GLU N N 121.302 0.300 1 78 14 14 HIS H H 8.020 0.030 1 79 14 14 HIS HA H 4.691 0.030 1 80 14 14 HIS HB2 H 3.475 0.030 2 81 14 14 HIS HB3 H 3.131 0.030 2 82 14 14 HIS HD2 H 7.269 0.030 1 83 14 14 HIS HE1 H 8.084 0.030 1 84 14 14 HIS C C 174.329 0.300 1 85 14 14 HIS CA C 56.269 0.300 1 86 14 14 HIS CB C 29.928 0.300 1 87 14 14 HIS CD2 C 119.236 0.300 1 88 14 14 HIS CE1 C 138.554 0.300 1 89 14 14 HIS N N 122.943 0.300 1 90 15 15 GLU H H 8.127 0.030 1 91 15 15 GLU HA H 4.326 0.030 1 92 15 15 GLU HB2 H 1.976 0.030 2 93 15 15 GLU HB3 H 2.043 0.030 2 94 15 15 GLU HG2 H 2.236 0.030 1 95 15 15 GLU HG3 H 2.236 0.030 1 96 15 15 GLU C C 176.097 0.300 1 97 15 15 GLU CA C 58.965 0.300 1 98 15 15 GLU CB C 29.600 0.300 1 99 15 15 GLU CG C 36.377 0.300 1 100 15 15 GLU N N 118.420 0.300 1 101 16 16 ASP H H 8.585 0.030 1 102 16 16 ASP HA H 4.707 0.030 1 103 16 16 ASP HB2 H 2.720 0.030 1 104 16 16 ASP HB3 H 2.720 0.030 1 105 16 16 ASP C C 175.715 0.300 1 106 16 16 ASP CA C 53.568 0.300 1 107 16 16 ASP CB C 41.128 0.300 1 108 16 16 ASP N N 116.218 0.300 1 109 17 17 GLU H H 8.563 0.030 1 110 17 17 GLU HA H 4.659 0.030 1 111 17 17 GLU HB2 H 2.163 0.030 2 112 17 17 GLU HB3 H 2.347 0.030 2 113 17 17 GLU HG2 H 2.177 0.030 1 114 17 17 GLU HG3 H 2.177 0.030 1 115 17 17 GLU C C 174.731 0.300 1 116 17 17 GLU CA C 54.430 0.300 1 117 17 17 GLU CB C 31.833 0.300 1 118 17 17 GLU CG C 34.721 0.300 1 119 17 17 GLU N N 123.096 0.300 1 120 18 18 LYS H H 8.414 0.030 1 121 18 18 LYS HA H 4.759 0.030 1 122 18 18 LYS HB2 H 1.680 0.030 2 123 18 18 LYS HB3 H 1.610 0.030 2 124 18 18 LYS HD2 H 1.470 0.030 1 125 18 18 LYS HD3 H 1.470 0.030 1 126 18 18 LYS HE2 H 2.844 0.030 1 127 18 18 LYS HE3 H 2.844 0.030 1 128 18 18 LYS HG2 H 1.509 0.030 2 129 18 18 LYS HG3 H 1.568 0.030 2 130 18 18 LYS C C 176.878 0.300 1 131 18 18 LYS CA C 56.513 0.300 1 132 18 18 LYS CB C 33.691 0.300 1 133 18 18 LYS CD C 29.397 0.300 1 134 18 18 LYS CE C 41.796 0.300 1 135 18 18 LYS CG C 25.229 0.300 1 136 18 18 LYS N N 124.241 0.300 1 137 19 19 ILE H H 7.920 0.030 1 138 19 19 ILE HA H 3.867 0.030 1 139 19 19 ILE HB H 1.891 0.030 1 140 19 19 ILE HD1 H 0.712 0.030 1 141 19 19 ILE HG12 H 1.098 0.030 2 142 19 19 ILE HG13 H 1.389 0.030 2 143 19 19 ILE HG2 H 0.984 0.030 1 144 19 19 ILE C C 176.814 0.300 1 145 19 19 ILE CA C 60.444 0.300 1 146 19 19 ILE CB C 35.626 0.300 1 147 19 19 ILE CD1 C 10.655 0.300 1 148 19 19 ILE CG1 C 26.933 0.300 1 149 19 19 ILE CG2 C 17.560 0.300 1 150 19 19 ILE N N 119.821 0.300 1 151 20 20 ASN H H 8.158 0.030 1 152 20 20 ASN HA H 4.790 0.030 1 153 20 20 ASN HB2 H 2.634 0.030 2 154 20 20 ASN HB3 H 3.181 0.030 2 155 20 20 ASN HD21 H 7.530 0.030 2 156 20 20 ASN HD22 H 6.935 0.030 2 157 20 20 ASN C C 175.202 0.300 1 158 20 20 ASN CA C 52.781 0.300 1 159 20 20 ASN CB C 38.893 0.300 1 160 20 20 ASN N N 125.795 0.300 1 161 21 21 ILE H H 8.540 0.030 1 162 21 21 ILE HA H 4.904 0.030 1 163 21 21 ILE HB H 1.774 0.030 1 164 21 21 ILE HD1 H 0.527 0.030 1 165 21 21 ILE HG12 H 0.946 0.030 1 166 21 21 ILE HG13 H 0.946 0.030 1 167 21 21 ILE HG2 H 0.900 0.030 1 168 21 21 ILE C C 172.360 0.300 1 169 21 21 ILE CA C 59.674 0.300 1 170 21 21 ILE CB C 43.331 0.300 1 171 21 21 ILE CD1 C 14.415 0.300 1 172 21 21 ILE CG1 C 26.412 0.300 1 173 21 21 ILE CG2 C 19.284 0.300 1 174 21 21 ILE N N 117.108 0.300 1 175 22 22 TYR H H 9.498 0.030 1 176 22 22 TYR HA H 4.642 0.030 1 177 22 22 TYR HB2 H 2.576 0.030 2 178 22 22 TYR HB3 H 2.681 0.030 2 179 22 22 TYR HD1 H 6.576 0.030 1 180 22 22 TYR HD2 H 6.576 0.030 1 181 22 22 TYR HE1 H 6.600 0.030 1 182 22 22 TYR HE2 H 6.600 0.030 1 183 22 22 TYR C C 173.660 0.300 1 184 22 22 TYR CA C 57.148 0.300 1 185 22 22 TYR CB C 42.468 0.300 1 186 22 22 TYR CD1 C 132.329 0.300 1 187 22 22 TYR CD2 C 132.329 0.300 1 188 22 22 TYR CE1 C 117.556 0.300 1 189 22 22 TYR CE2 C 117.556 0.300 1 190 22 22 TYR N N 122.953 0.300 1 191 23 23 CYS H H 8.438 0.030 1 192 23 23 CYS HA H 4.523 0.030 1 193 23 23 CYS HB2 H 2.635 0.030 2 194 23 23 CYS HB3 H 1.662 0.030 2 195 23 23 CYS C C 175.994 0.300 1 196 23 23 CYS CA C 59.702 0.300 1 197 23 23 CYS CB C 28.330 0.300 1 198 23 23 CYS N N 129.171 0.300 1 199 24 24 LEU H H 9.094 0.030 1 200 24 24 LEU HA H 4.083 0.030 1 201 24 24 LEU HB2 H 1.693 0.030 2 202 24 24 LEU HB3 H 1.566 0.030 2 203 24 24 LEU HD1 H 0.976 0.030 1 204 24 24 LEU HD2 H 0.889 0.030 1 205 24 24 LEU HG H 1.697 0.030 1 206 24 24 LEU C C 178.463 0.300 1 207 24 24 LEU CA C 57.242 0.300 1 208 24 24 LEU CB C 42.035 0.300 1 209 24 24 LEU CD1 C 23.539 0.300 2 210 24 24 LEU CD2 C 26.002 0.300 2 211 24 24 LEU CG C 27.842 0.300 1 212 24 24 LEU N N 130.074 0.300 1 213 25 25 THR H H 8.285 0.030 1 214 25 25 THR HA H 4.002 0.030 1 215 25 25 THR HB H 4.339 0.030 1 216 25 25 THR HG2 H 1.402 0.030 1 217 25 25 THR C C 176.631 0.300 1 218 25 25 THR CA C 67.168 0.300 1 219 25 25 THR CB C 70.416 0.300 1 220 25 25 THR CG2 C 23.289 0.300 1 221 25 25 THR N N 120.858 0.300 1 222 26 26 CYS H H 10.188 0.030 1 223 26 26 CYS HA H 4.056 0.030 1 224 26 26 CYS HB2 H 3.187 0.030 2 225 26 26 CYS HB3 H 2.765 0.030 2 226 26 26 CYS C C 174.807 0.300 1 227 26 26 CYS CA C 61.282 0.300 1 228 26 26 CYS CB C 32.019 0.300 1 229 26 26 CYS N N 124.286 0.300 1 230 27 27 GLU H H 7.770 0.030 1 231 27 27 GLU HA H 3.761 0.030 1 232 27 27 GLU HB2 H 2.288 0.030 2 233 27 27 GLU HB3 H 2.121 0.030 2 234 27 27 GLU HG2 H 2.146 0.030 1 235 27 27 GLU HG3 H 2.146 0.030 1 236 27 27 GLU C C 175.349 0.300 1 237 27 27 GLU CA C 57.117 0.300 1 238 27 27 GLU CB C 26.597 0.300 1 239 27 27 GLU CG C 36.863 0.300 1 240 27 27 GLU N N 117.453 0.300 1 241 28 28 VAL H H 6.745 0.030 1 242 28 28 VAL HA H 4.916 0.030 1 243 28 28 VAL HB H 2.049 0.030 1 244 28 28 VAL HG1 H 0.848 0.030 1 245 28 28 VAL HG2 H 0.772 0.030 1 246 28 28 VAL C C 171.982 0.300 1 247 28 28 VAL CA C 57.592 0.300 1 248 28 28 VAL CB C 35.341 0.300 1 249 28 28 VAL CG1 C 21.860 0.300 2 250 28 28 VAL CG2 C 19.246 0.300 2 251 28 28 VAL N N 111.105 0.300 1 252 29 29 PRO HA H 4.982 0.030 1 253 29 29 PRO HB2 H 2.300 0.030 2 254 29 29 PRO HB3 H 1.982 0.030 2 255 29 29 PRO HD2 H 3.733 0.030 2 256 29 29 PRO HD3 H 4.000 0.030 2 257 29 29 PRO HG2 H 2.023 0.030 2 258 29 29 PRO HG3 H 2.240 0.030 2 259 29 29 PRO C C 175.889 0.300 1 260 29 29 PRO CA C 62.052 0.300 1 261 29 29 PRO CB C 32.483 0.300 1 262 29 29 PRO CD C 51.503 0.300 1 263 29 29 PRO CG C 27.816 0.300 1 264 30 30 THR H H 9.170 0.030 1 265 30 30 THR HA H 4.826 0.030 1 266 30 30 THR HB H 3.830 0.030 1 267 30 30 THR HG2 H 0.487 0.030 1 268 30 30 THR C C 171.287 0.300 1 269 30 30 THR CA C 59.825 0.300 1 270 30 30 THR CB C 68.559 0.300 1 271 30 30 THR CG2 C 17.038 0.300 1 272 30 30 THR N N 120.186 0.300 1 273 31 31 CYS H H 8.970 0.030 1 274 31 31 CYS HA H 6.018 0.030 1 275 31 31 CYS HB2 H 2.660 0.030 2 276 31 31 CYS HB3 H 3.867 0.030 2 277 31 31 CYS C C 176.973 0.300 1 278 31 31 CYS CA C 54.950 0.300 1 279 31 31 CYS CB C 35.838 0.300 1 280 31 31 CYS N N 121.919 0.300 1 281 32 32 SER H H 9.455 0.030 1 282 32 32 SER HA H 3.503 0.030 1 283 32 32 SER HB2 H 3.768 0.030 2 284 32 32 SER HB3 H 3.971 0.030 2 285 32 32 SER CA C 62.304 0.300 1 286 32 32 SER CB C 62.304 0.300 1 287 32 32 SER N N 117.052 0.300 1 288 33 33 MET H H 9.054 0.030 1 289 33 33 MET HA H 4.190 0.030 1 290 33 33 MET HB2 H 1.251 0.030 2 291 33 33 MET HB3 H 0.853 0.030 2 292 33 33 MET HE H 2.085 0.030 1 293 33 33 MET HG2 H 2.393 0.030 1 294 33 33 MET HG3 H 2.393 0.030 1 295 33 33 MET C C 179.133 0.300 1 296 33 33 MET CA C 58.066 0.300 1 297 33 33 MET CB C 30.667 0.300 1 298 33 33 MET CE C 17.896 0.300 1 299 33 33 MET CG C 33.176 0.300 1 300 33 33 MET N N 126.905 0.300 1 301 34 34 CYS H H 8.826 0.030 1 302 34 34 CYS HA H 4.193 0.030 1 303 34 34 CYS HB2 H 3.009 0.030 2 304 34 34 CYS HB3 H 3.965 0.030 2 305 34 34 CYS C C 177.670 0.300 1 306 34 34 CYS CA C 65.946 0.300 1 307 34 34 CYS CB C 30.266 0.300 1 308 34 34 CYS N N 125.188 0.300 1 309 35 35 LYS H H 7.075 0.030 1 310 35 35 LYS HA H 4.041 0.030 1 311 35 35 LYS HB2 H 1.920 0.030 2 312 35 35 LYS HB3 H 1.333 0.030 2 313 35 35 LYS HD2 H 2.142 0.030 1 314 35 35 LYS HD3 H 2.142 0.030 1 315 35 35 LYS HE2 H 2.936 0.030 2 316 35 35 LYS HE3 H 2.784 0.030 2 317 35 35 LYS HG2 H 1.369 0.030 2 318 35 35 LYS HG3 H 2.137 0.030 2 319 35 35 LYS C C 174.481 0.300 1 320 35 35 LYS CA C 56.555 0.300 1 321 35 35 LYS CB C 31.640 0.300 1 322 35 35 LYS CD C 28.649 0.300 1 323 35 35 LYS CE C 42.609 0.300 1 324 35 35 LYS CG C 28.400 0.300 1 325 35 35 LYS N N 118.348 0.300 1 326 36 36 VAL H H 7.844 0.030 1 327 36 36 VAL HA H 3.262 0.030 1 328 36 36 VAL HB H 1.246 0.030 1 329 36 36 VAL HG1 H -0.471 0.030 1 330 36 36 VAL HG2 H 0.673 0.030 1 331 36 36 VAL C C 176.718 0.300 1 332 36 36 VAL CA C 66.632 0.300 1 333 36 36 VAL CB C 32.639 0.300 1 334 36 36 VAL CG1 C 22.380 0.300 2 335 36 36 VAL CG2 C 24.104 0.300 2 336 36 36 VAL N N 117.305 0.300 1 337 37 37 PHE H H 7.958 0.030 1 338 37 37 PHE HA H 5.031 0.030 1 339 37 37 PHE HB2 H 3.524 0.030 2 340 37 37 PHE HB3 H 2.696 0.030 2 341 37 37 PHE HD1 H 7.321 0.030 1 342 37 37 PHE HD2 H 7.321 0.030 1 343 37 37 PHE HE1 H 7.182 0.030 1 344 37 37 PHE HE2 H 7.182 0.030 1 345 37 37 PHE HZ H 6.637 0.030 1 346 37 37 PHE C C 177.046 0.300 1 347 37 37 PHE CA C 57.102 0.300 1 348 37 37 PHE CB C 42.756 0.300 1 349 37 37 PHE CD1 C 132.626 0.300 1 350 37 37 PHE CD2 C 132.626 0.300 1 351 37 37 PHE CE1 C 131.096 0.300 1 352 37 37 PHE CE2 C 131.096 0.300 1 353 37 37 PHE CZ C 128.675 0.300 1 354 37 37 PHE N N 110.463 0.300 1 355 38 38 GLY H H 6.923 0.030 1 356 38 38 GLY HA2 H 4.740 0.030 2 357 38 38 GLY HA3 H 4.320 0.030 2 358 38 38 GLY C C 176.935 0.300 1 359 38 38 GLY CA C 45.801 0.300 1 360 38 38 GLY N N 108.191 0.300 1 361 39 39 ILE H H 8.937 0.030 1 362 39 39 ILE HA H 4.018 0.030 1 363 39 39 ILE HB H 1.797 0.030 1 364 39 39 ILE HD1 H 0.747 0.030 1 365 39 39 ILE HG12 H 1.137 0.030 2 366 39 39 ILE HG13 H 0.607 0.030 2 367 39 39 ILE HG2 H 0.767 0.030 1 368 39 39 ILE C C 177.287 0.300 1 369 39 39 ILE CA C 63.724 0.300 1 370 39 39 ILE CB C 38.413 0.300 1 371 39 39 ILE CD1 C 14.229 0.300 1 372 39 39 ILE CG1 C 26.369 0.300 1 373 39 39 ILE CG2 C 17.276 0.300 1 374 39 39 ILE N N 117.711 0.300 1 375 40 40 HIS H H 7.408 0.030 1 376 40 40 HIS HA H 6.147 0.030 1 377 40 40 HIS HB2 H 3.401 0.030 2 378 40 40 HIS HB3 H 2.014 0.030 2 379 40 40 HIS HD2 H 7.124 0.030 1 380 40 40 HIS HE1 H 7.796 0.030 1 381 40 40 HIS C C 176.126 0.300 1 382 40 40 HIS CA C 56.041 0.300 1 383 40 40 HIS CB C 29.810 0.300 1 384 40 40 HIS CD2 C 121.885 0.300 1 385 40 40 HIS CE1 C 140.485 0.300 1 386 40 40 HIS N N 118.554 0.300 1 387 41 41 LYS H H 7.391 0.030 1 388 41 41 LYS HA H 4.913 0.030 1 389 41 41 LYS HB2 H 1.883 0.030 2 390 41 41 LYS HB3 H 1.697 0.030 2 391 41 41 LYS HD2 H 1.654 0.030 1 392 41 41 LYS HD3 H 1.654 0.030 1 393 41 41 LYS HE2 H 2.846 0.030 2 394 41 41 LYS HE3 H 3.029 0.030 2 395 41 41 LYS HG2 H 1.374 0.030 2 396 41 41 LYS HG3 H 1.515 0.030 2 397 41 41 LYS C C 179.056 0.300 1 398 41 41 LYS CA C 59.563 0.300 1 399 41 41 LYS CB C 32.857 0.300 1 400 41 41 LYS CD C 29.872 0.300 1 401 41 41 LYS CE C 41.869 0.300 1 402 41 41 LYS CG C 24.116 0.300 1 403 41 41 LYS N N 120.447 0.300 1 404 42 42 ALA H H 8.778 0.030 1 405 42 42 ALA HA H 4.615 0.030 1 406 42 42 ALA HB H 1.419 0.030 1 407 42 42 ALA C C 177.758 0.300 1 408 42 42 ALA CA C 51.579 0.300 1 409 42 42 ALA CB C 19.026 0.300 1 410 42 42 ALA N N 121.730 0.300 1 411 43 43 CYS H H 7.529 0.030 1 412 43 43 CYS HA H 4.096 0.030 1 413 43 43 CYS HB2 H 2.966 0.030 2 414 43 43 CYS HB3 H 3.578 0.030 2 415 43 43 CYS C C 175.870 0.300 1 416 43 43 CYS CA C 61.105 0.300 1 417 43 43 CYS CB C 35.006 0.300 1 418 43 43 CYS N N 121.579 0.300 1 419 44 44 GLU H H 8.437 0.030 1 420 44 44 GLU HA H 4.525 0.030 1 421 44 44 GLU HB2 H 2.061 0.030 2 422 44 44 GLU HB3 H 1.887 0.030 2 423 44 44 GLU HG2 H 2.224 0.030 2 424 44 44 GLU HG3 H 2.342 0.030 2 425 44 44 GLU C C 175.277 0.300 1 426 44 44 GLU CA C 55.448 0.300 1 427 44 44 GLU CB C 30.434 0.300 1 428 44 44 GLU CG C 36.233 0.300 1 429 44 44 GLU N N 122.858 0.300 1 430 45 45 VAL H H 8.378 0.030 1 431 45 45 VAL HA H 5.537 0.030 1 432 45 45 VAL HB H 2.025 0.030 1 433 45 45 VAL HG1 H 0.745 0.030 1 434 45 45 VAL HG2 H 0.571 0.030 1 435 45 45 VAL C C 174.385 0.300 1 436 45 45 VAL CA C 58.486 0.300 1 437 45 45 VAL CB C 35.315 0.300 1 438 45 45 VAL CG1 C 21.187 0.300 2 439 45 45 VAL CG2 C 18.688 0.300 2 440 45 45 VAL N N 114.010 0.300 1 441 46 46 ALA H H 9.213 0.030 1 442 46 46 ALA HA H 5.139 0.030 1 443 46 46 ALA HB H 1.428 0.030 1 444 46 46 ALA C C 173.776 0.300 1 445 46 46 ALA CA C 49.871 0.300 1 446 46 46 ALA CB C 21.667 0.300 1 447 46 46 ALA N N 122.854 0.300 1 448 47 47 PRO HA H 4.461 0.030 1 449 47 47 PRO HB2 H 2.160 0.030 2 450 47 47 PRO HB3 H 1.722 0.030 2 451 47 47 PRO HD2 H 3.467 0.030 1 452 47 47 PRO HD3 H 3.467 0.030 1 453 47 47 PRO HG2 H 1.060 0.030 2 454 47 47 PRO HG3 H 1.790 0.030 2 455 47 47 PRO C C 177.207 0.300 1 456 47 47 PRO CA C 63.067 0.300 1 457 47 47 PRO CB C 31.682 0.300 1 458 47 47 PRO CD C 50.578 0.300 1 459 47 47 PRO CG C 27.635 0.300 1 460 48 48 LEU H H 7.828 0.030 1 461 48 48 LEU HA H 4.040 0.030 1 462 48 48 LEU HB2 H 1.624 0.030 2 463 48 48 LEU HB3 H 1.061 0.030 2 464 48 48 LEU HD1 H 0.888 0.030 1 465 48 48 LEU HD2 H 0.853 0.030 1 466 48 48 LEU HG H 1.450 0.030 1 467 48 48 LEU C C 177.083 0.300 1 468 48 48 LEU CA C 56.959 0.300 1 469 48 48 LEU CB C 42.609 0.300 1 470 48 48 LEU CD1 C 24.217 0.300 2 471 48 48 LEU CD2 C 25.924 0.300 2 472 48 48 LEU CG C 26.904 0.300 1 473 48 48 LEU N N 125.192 0.300 1 474 49 49 GLN H H 8.676 0.030 1 475 49 49 GLN HA H 4.246 0.030 1 476 49 49 GLN HB2 H 2.069 0.030 2 477 49 49 GLN HB3 H 1.952 0.030 2 478 49 49 GLN HE21 H 6.867 0.030 2 479 49 49 GLN HE22 H 7.524 0.030 2 480 49 49 GLN HG2 H 2.345 0.030 1 481 49 49 GLN HG3 H 2.345 0.030 1 482 49 49 GLN C C 176.204 0.300 1 483 49 49 GLN CA C 56.575 0.300 1 484 49 49 GLN CB C 28.652 0.300 1 485 49 49 GLN CG C 33.769 0.300 1 486 49 49 GLN N N 118.539 0.300 1 487 49 49 GLN NE2 N 112.330 0.300 1 488 50 50 SER H H 7.887 0.030 1 489 50 50 SER HA H 4.363 0.030 1 490 50 50 SER HB2 H 3.836 0.030 1 491 50 50 SER HB3 H 3.836 0.030 1 492 50 50 SER C C 174.436 0.300 1 493 50 50 SER CA C 59.116 0.300 1 494 50 50 SER CB C 63.845 0.300 1 495 50 50 SER N N 114.864 0.300 1 496 51 51 VAL H H 7.555 0.030 1 497 51 51 VAL HA H 3.995 0.030 1 498 51 51 VAL HB H 1.739 0.030 1 499 51 51 VAL HG1 H 0.440 0.030 1 500 51 51 VAL HG2 H 0.586 0.030 1 501 51 51 VAL C C 175.898 0.300 1 502 51 51 VAL CA C 62.448 0.300 1 503 51 51 VAL CB C 32.674 0.300 1 504 51 51 VAL CG1 C 20.606 0.300 2 505 51 51 VAL CG2 C 20.136 0.300 2 506 51 51 VAL N N 119.696 0.300 1 507 52 52 PHE H H 8.087 0.030 1 508 52 52 PHE HA H 4.565 0.030 1 509 52 52 PHE HB2 H 3.065 0.030 2 510 52 52 PHE HB3 H 2.908 0.030 2 511 52 52 PHE HD1 H 7.161 0.030 1 512 52 52 PHE HD2 H 7.161 0.030 1 513 52 52 PHE HE1 H 7.227 0.030 1 514 52 52 PHE HE2 H 7.227 0.030 1 515 52 52 PHE HZ H 7.201 0.030 1 516 52 52 PHE C C 175.718 0.300 1 517 52 52 PHE CA C 57.624 0.300 1 518 52 52 PHE CB C 39.208 0.300 1 519 52 52 PHE CD1 C 131.635 0.300 1 520 52 52 PHE CD2 C 131.635 0.300 1 521 52 52 PHE CE1 C 131.637 0.300 1 522 52 52 PHE CE2 C 131.637 0.300 1 523 52 52 PHE CZ C 129.677 0.300 1 524 52 52 PHE N N 122.444 0.300 1 525 53 53 GLN H H 8.182 0.030 1 526 53 53 GLN HA H 4.232 0.030 1 527 53 53 GLN HB2 H 1.880 0.030 2 528 53 53 GLN HB3 H 2.064 0.030 2 529 53 53 GLN HE21 H 7.432 0.030 2 530 53 53 GLN HE22 H 6.777 0.030 2 531 53 53 GLN HG2 H 2.225 0.030 1 532 53 53 GLN HG3 H 2.225 0.030 1 533 53 53 GLN C C 176.132 0.300 1 534 53 53 GLN CA C 55.956 0.300 1 535 53 53 GLN CB C 29.397 0.300 1 536 53 53 GLN CG C 33.737 0.300 1 537 53 53 GLN N N 122.123 0.300 1 538 53 53 GLN NE2 N 112.154 0.300 1 539 54 54 GLY H H 7.924 0.030 1 540 54 54 GLY HA2 H 3.877 0.030 1 541 54 54 GLY HA3 H 3.877 0.030 1 542 54 54 GLY C C 173.869 0.300 1 543 54 54 GLY CA C 45.264 0.300 1 544 54 54 GLY N N 109.125 0.300 1 545 55 55 GLN H H 8.193 0.030 1 546 55 55 GLN HA H 4.332 0.030 1 547 55 55 GLN HB2 H 1.971 0.030 2 548 55 55 GLN HB3 H 2.087 0.030 2 549 55 55 GLN HE21 H 6.870 0.030 2 550 55 55 GLN HE22 H 7.535 0.030 2 551 55 55 GLN HG2 H 2.344 0.030 1 552 55 55 GLN HG3 H 2.344 0.030 1 553 55 55 GLN C C 175.962 0.300 1 554 55 55 GLN CA C 55.805 0.300 1 555 55 55 GLN CB C 29.688 0.300 1 556 55 55 GLN CG C 33.696 0.300 1 557 55 55 GLN N N 119.791 0.300 1 558 55 55 GLN NE2 N 112.377 0.300 1 559 56 56 LYS H H 8.472 0.030 1 560 56 56 LYS HA H 4.400 0.030 1 561 56 56 LYS HB2 H 1.763 0.030 2 562 56 56 LYS HB3 H 1.845 0.030 2 563 56 56 LYS HD2 H 1.664 0.030 1 564 56 56 LYS HD3 H 1.664 0.030 1 565 56 56 LYS HE2 H 2.971 0.030 1 566 56 56 LYS HE3 H 2.971 0.030 1 567 56 56 LYS HG2 H 1.407 0.030 1 568 56 56 LYS HG3 H 1.407 0.030 1 569 56 56 LYS C C 176.680 0.300 1 570 56 56 LYS CA C 56.326 0.300 1 571 56 56 LYS CB C 33.136 0.300 1 572 56 56 LYS CD C 29.049 0.300 1 573 56 56 LYS CE C 42.127 0.300 1 574 56 56 LYS CG C 24.690 0.300 1 575 56 56 LYS N N 123.242 0.300 1 576 57 57 THR H H 8.268 0.030 1 577 57 57 THR HA H 4.344 0.030 1 578 57 57 THR HB H 4.196 0.030 1 579 57 57 THR HG2 H 1.187 0.030 1 580 57 57 THR C C 174.527 0.300 1 581 57 57 THR CA C 61.849 0.300 1 582 57 57 THR CB C 69.910 0.300 1 583 57 57 THR CG2 C 21.659 0.300 1 584 57 57 THR N N 116.240 0.300 1 585 58 58 GLU H H 8.520 0.030 1 586 58 58 GLU HA H 4.375 0.030 1 587 58 58 GLU HB2 H 1.945 0.030 2 588 58 58 GLU HB3 H 2.089 0.030 2 589 58 58 GLU HG2 H 2.263 0.030 1 590 58 58 GLU HG3 H 2.263 0.030 1 591 58 58 GLU C C 176.382 0.300 1 592 58 58 GLU CA C 56.570 0.300 1 593 58 58 GLU CB C 30.368 0.300 1 594 58 58 GLU CG C 36.287 0.300 1 595 58 58 GLU N N 123.531 0.300 1 596 59 59 SER H H 8.420 0.030 1 597 59 59 SER HA H 4.506 0.030 1 598 59 59 SER HB2 H 3.873 0.030 1 599 59 59 SER HB3 H 3.873 0.030 1 600 59 59 SER C C 174.551 0.300 1 601 59 59 SER CA C 58.277 0.300 1 602 59 59 SER CB C 63.918 0.300 1 603 59 59 SER N N 117.105 0.300 1 604 60 60 GLY H H 8.275 0.030 1 605 60 60 GLY HA2 H 4.167 0.030 2 606 60 60 GLY HA3 H 4.081 0.030 2 607 60 60 GLY C C 171.777 0.300 1 608 60 60 GLY CA C 44.646 0.300 1 609 60 60 GLY N N 110.787 0.300 1 610 61 61 PRO HA H 4.479 0.030 1 611 61 61 PRO HB2 H 1.966 0.030 2 612 61 61 PRO HB3 H 2.290 0.030 2 613 61 61 PRO HD2 H 3.628 0.030 1 614 61 61 PRO HD3 H 3.628 0.030 1 615 61 61 PRO HG2 H 2.017 0.030 1 616 61 61 PRO HG3 H 2.017 0.030 1 617 61 61 PRO C C 177.398 0.300 1 618 61 61 PRO CA C 63.130 0.300 1 619 61 61 PRO CB C 32.160 0.300 1 620 61 61 PRO CD C 49.795 0.300 1 621 61 61 PRO CG C 27.153 0.300 1 622 62 62 SER H H 8.530 0.030 1 623 62 62 SER C C 174.692 0.300 1 624 62 62 SER N N 116.451 0.300 1 stop_ save_