data_11328 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Solution structure of the B-box domain of the zinc finger FYVE domain-containing protein 19 from Mus musculus ; _BMRB_accession_number 11328 _BMRB_flat_file_name bmr11328.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 Sato M. . . 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" 317 "13C chemical shifts" 232 "15N chemical shifts" 53 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 zinc finger FYVE domain-containing protein 19 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 Kigawa T. . . 3 Sato M. . . 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 'Zinc finger FYVE domain-containing protein 19' _Enzyme_commission_number . 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 'free and other bound' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 67 _Mol_residue_sequence ; GSSGSSGLPWCCICNEDATL RCAGCDGDLYCARCFREGHD NFDLKEHQTSPYHPRRPCQE HSGPSSG ; loop_ _Residue_seq_code _Residue_label 1 GLY 2 SER 3 SER 4 GLY 5 SER 6 SER 7 GLY 8 LEU 9 PRO 10 TRP 11 CYS 12 CYS 13 ILE 14 CYS 15 ASN 16 GLU 17 ASP 18 ALA 19 THR 20 LEU 21 ARG 22 CYS 23 ALA 24 GLY 25 CYS 26 ASP 27 GLY 28 ASP 29 LEU 30 TYR 31 CYS 32 ALA 33 ARG 34 CYS 35 PHE 36 ARG 37 GLU 38 GLY 39 HIS 40 ASP 41 ASN 42 PHE 43 ASP 44 LEU 45 LYS 46 GLU 47 HIS 48 GLN 49 THR 50 SER 51 PRO 52 TYR 53 HIS 54 PRO 55 ARG 56 ARG 57 PRO 58 CYS 59 GLN 60 GLU 61 HIS 62 SER 63 GLY 64 PRO 65 SER 66 SER 67 GLY stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date 2015-07-08 loop_ _Database_name _Database_accession_code _Database_entry_mol_name _Sequence_query_to_submitted_percentage _Sequence_subject_length _Sequence_identity _Sequence_positive _Sequence_homology_expectation_value PDB 2D8V "Solution Structure Of The B-Box Domain Of The Zinc Finger Fyve Domain-Containing Protein 19 From Mus Musculus" 100.00 67 100.00 100.00 1.71e-40 DBJ BAB23993 "unnamed protein product [Mus musculus]" 80.60 389 100.00 100.00 5.88e-33 GB AAH18420 "Zinc finger, FYVE domain containing 19 [Mus musculus]" 80.60 389 100.00 100.00 5.31e-33 GB EDL27942 "zinc finger, FYVE domain containing 19, isoform CRA_a, partial [Mus musculus]" 80.60 399 100.00 100.00 5.56e-33 GB EDL27943 "zinc finger, FYVE domain containing 19, isoform CRA_b [Mus musculus]" 80.60 251 100.00 100.00 8.01e-34 REF NP_082330 "abscission/NoCut checkpoint regulator isoform 1 [Mus musculus]" 80.60 389 100.00 100.00 6.19e-33 REF XP_005603199 "PREDICTED: zinc finger FYVE domain-containing protein 19 [Equus caballus]" 70.15 390 97.87 97.87 4.34e-26 REF XP_006500266 "PREDICTED: abscission/NoCut checkpoint regulator isoform X1 [Mus musculus]" 80.60 396 100.00 100.00 5.99e-33 REF XP_006500267 "PREDICTED: abscission/NoCut checkpoint regulator isoform X3 [Mus musculus]" 80.60 394 100.00 100.00 6.70e-33 REF XP_006500268 "PREDICTED: abscission/NoCut checkpoint regulator isoform X4 [Mus musculus]" 80.60 390 100.00 100.00 6.06e-33 SP Q9DAZ9 "RecName: Full=Abscission/NoCut checkpoint regulator; Short=ANCHR; AltName: Full=Zinc finger FYVE domain-containing protein 19" 80.60 389 100.00 100.00 6.19e-33 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 P050322-02 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Saveframe_category sample _Sample_type solution _Details ; 1.08mM 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 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 1.0 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 900 _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 H H 8.317 0.030 1 2 7 7 GLY HA2 H 3.906 0.030 2 3 7 7 GLY HA3 H 3.857 0.030 2 4 7 7 GLY CA C 45.349 0.300 1 5 7 7 GLY N N 110.501 0.300 1 6 8 8 LEU H H 7.869 0.030 1 7 8 8 LEU HA H 4.301 0.030 1 8 8 8 LEU HB2 H 1.344 0.030 2 9 8 8 LEU HB3 H 0.763 0.030 2 10 8 8 LEU HD1 H 0.805 0.030 1 11 8 8 LEU HD2 H 0.740 0.030 1 12 8 8 LEU HG H 1.448 0.030 1 13 8 8 LEU C C 176.614 0.300 1 14 8 8 LEU CA C 52.390 0.300 1 15 8 8 LEU CB C 40.900 0.300 1 16 8 8 LEU CD1 C 25.156 0.300 2 17 8 8 LEU CD2 C 22.716 0.300 2 18 8 8 LEU CG C 26.959 0.300 1 19 8 8 LEU N N 122.372 0.300 1 20 9 9 PRO HA H 4.388 0.030 1 21 9 9 PRO HB2 H 1.777 0.030 2 22 9 9 PRO HB3 H 2.059 0.030 2 23 9 9 PRO HD2 H 3.370 0.030 2 24 9 9 PRO HD3 H 2.673 0.030 2 25 9 9 PRO HG2 H 1.125 0.030 2 26 9 9 PRO HG3 H 1.691 0.030 2 27 9 9 PRO C C 174.952 0.300 1 28 9 9 PRO CA C 63.256 0.300 1 29 9 9 PRO CB C 30.262 0.300 1 30 9 9 PRO CD C 49.562 0.300 1 31 9 9 PRO CG C 26.434 0.300 1 32 10 10 TRP H H 7.103 0.030 1 33 10 10 TRP HA H 5.015 0.030 1 34 10 10 TRP HB2 H 2.894 0.030 2 35 10 10 TRP HB3 H 3.171 0.030 2 36 10 10 TRP HD1 H 6.949 0.030 1 37 10 10 TRP HE1 H 10.048 0.030 1 38 10 10 TRP HE3 H 7.443 0.030 1 39 10 10 TRP HH2 H 7.181 0.030 1 40 10 10 TRP HZ2 H 7.408 0.030 1 41 10 10 TRP HZ3 H 7.123 0.030 1 42 10 10 TRP C C 174.539 0.300 1 43 10 10 TRP CA C 54.194 0.300 1 44 10 10 TRP CB C 31.389 0.300 1 45 10 10 TRP CD1 C 125.502 0.300 1 46 10 10 TRP CE3 C 121.141 0.300 1 47 10 10 TRP CH2 C 124.584 0.300 1 48 10 10 TRP CZ2 C 114.588 0.300 1 49 10 10 TRP CZ3 C 121.830 0.300 1 50 10 10 TRP N N 119.826 0.300 1 51 10 10 TRP NE1 N 128.749 0.300 1 52 11 11 CYS H H 9.433 0.030 1 53 11 11 CYS HA H 3.739 0.030 1 54 11 11 CYS HB2 H 2.647 0.030 2 55 11 11 CYS HB3 H 3.217 0.030 2 56 11 11 CYS C C 177.331 0.300 1 57 11 11 CYS CA C 60.130 0.300 1 58 11 11 CYS CB C 30.531 0.300 1 59 11 11 CYS N N 122.118 0.300 1 60 12 12 CYS H H 9.008 0.030 1 61 12 12 CYS HA H 4.399 0.030 1 62 12 12 CYS HB2 H 2.863 0.030 2 63 12 12 CYS HB3 H 3.174 0.030 2 64 12 12 CYS C C 174.112 0.300 1 65 12 12 CYS CA C 60.255 0.300 1 66 12 12 CYS CB C 27.576 0.300 1 67 12 12 CYS N N 128.164 0.300 1 68 13 13 ILE H H 9.029 0.030 1 69 13 13 ILE HA H 4.335 0.030 1 70 13 13 ILE HB H 2.874 0.030 1 71 13 13 ILE HD1 H 0.862 0.030 1 72 13 13 ILE HG12 H 1.763 0.030 2 73 13 13 ILE HG13 H 1.834 0.030 2 74 13 13 ILE HG2 H 0.941 0.030 1 75 13 13 ILE C C 177.539 0.300 1 76 13 13 ILE CA C 61.972 0.300 1 77 13 13 ILE CB C 36.527 0.300 1 78 13 13 ILE CD1 C 10.293 0.300 1 79 13 13 ILE CG1 C 27.428 0.300 1 80 13 13 ILE CG2 C 17.752 0.300 1 81 13 13 ILE N N 126.802 0.300 1 82 14 14 CYS H H 8.177 0.030 1 83 14 14 CYS HA H 4.844 0.030 1 84 14 14 CYS HB2 H 2.584 0.030 2 85 14 14 CYS HB3 H 3.255 0.030 2 86 14 14 CYS C C 176.305 0.300 1 87 14 14 CYS CA C 59.436 0.300 1 88 14 14 CYS CB C 33.155 0.300 1 89 14 14 CYS N N 118.675 0.300 1 90 15 15 ASN H H 7.830 0.030 1 91 15 15 ASN HA H 4.376 0.030 1 92 15 15 ASN HB2 H 2.418 0.030 2 93 15 15 ASN HB3 H 2.725 0.030 2 94 15 15 ASN HD21 H 6.560 0.030 2 95 15 15 ASN HD22 H 6.998 0.030 2 96 15 15 ASN C C 173.859 0.300 1 97 15 15 ASN CA C 55.364 0.300 1 98 15 15 ASN CB C 37.990 0.300 1 99 15 15 ASN N N 116.679 0.300 1 100 15 15 ASN ND2 N 110.954 0.300 1 101 16 16 GLU H H 8.727 0.030 1 102 16 16 GLU HA H 4.454 0.030 1 103 16 16 GLU HB2 H 2.260 0.030 2 104 16 16 GLU HB3 H 2.147 0.030 2 105 16 16 GLU HG2 H 2.534 0.030 2 106 16 16 GLU HG3 H 2.285 0.030 2 107 16 16 GLU C C 175.167 0.300 1 108 16 16 GLU CA C 56.366 0.300 1 109 16 16 GLU CB C 29.682 0.300 1 110 16 16 GLU CG C 37.457 0.300 1 111 16 16 GLU N N 120.249 0.300 1 112 17 17 ASP H H 8.429 0.030 1 113 17 17 ASP HA H 4.568 0.030 1 114 17 17 ASP HB2 H 2.662 0.030 2 115 17 17 ASP HB3 H 2.587 0.030 2 116 17 17 ASP C C 175.794 0.300 1 117 17 17 ASP CA C 56.627 0.300 1 118 17 17 ASP CB C 40.649 0.300 1 119 17 17 ASP N N 118.895 0.300 1 120 18 18 ALA H H 8.439 0.030 1 121 18 18 ALA HA H 4.079 0.030 1 122 18 18 ALA HB H 1.031 0.030 1 123 18 18 ALA C C 177.002 0.300 1 124 18 18 ALA CA C 51.521 0.300 1 125 18 18 ALA CB C 21.868 0.300 1 126 18 18 ALA N N 122.830 0.300 1 127 19 19 THR H H 8.274 0.030 1 128 19 19 THR HA H 4.990 0.030 1 129 19 19 THR HB H 4.505 0.030 1 130 19 19 THR HG2 H 1.255 0.030 1 131 19 19 THR C C 175.510 0.300 1 132 19 19 THR CA C 61.627 0.300 1 133 19 19 THR CB C 70.307 0.300 1 134 19 19 THR CG2 C 22.574 0.300 1 135 19 19 THR N N 106.035 0.300 1 136 20 20 LEU H H 8.680 0.030 1 137 20 20 LEU HA H 5.061 0.030 1 138 20 20 LEU HB2 H 1.112 0.030 2 139 20 20 LEU HB3 H 1.510 0.030 2 140 20 20 LEU HD1 H 0.370 0.030 1 141 20 20 LEU HD2 H 0.484 0.030 1 142 20 20 LEU HG H 1.539 0.030 1 143 20 20 LEU C C 174.022 0.300 1 144 20 20 LEU CA C 54.523 0.300 1 145 20 20 LEU CB C 46.928 0.300 1 146 20 20 LEU CD1 C 25.657 0.300 2 147 20 20 LEU CD2 C 24.000 0.300 2 148 20 20 LEU CG C 25.551 0.300 1 149 20 20 LEU N N 125.017 0.300 1 150 21 21 ARG H H 8.949 0.030 1 151 21 21 ARG HA H 4.862 0.030 1 152 21 21 ARG HB2 H 1.363 0.030 2 153 21 21 ARG HB3 H 1.644 0.030 2 154 21 21 ARG HD2 H 3.008 0.030 2 155 21 21 ARG HD3 H 3.189 0.030 2 156 21 21 ARG HG2 H 1.116 0.030 2 157 21 21 ARG HG3 H 1.441 0.030 2 158 21 21 ARG C C 175.812 0.300 1 159 21 21 ARG CA C 54.643 0.300 1 160 21 21 ARG CB C 32.985 0.300 1 161 21 21 ARG CD C 43.698 0.300 1 162 21 21 ARG CG C 27.356 0.300 1 163 21 21 ARG N N 120.754 0.300 1 164 22 22 CYS H H 9.079 0.030 1 165 22 22 CYS HA H 4.800 0.030 1 166 22 22 CYS HB2 H 2.739 0.030 2 167 22 22 CYS HB3 H 3.442 0.030 2 168 22 22 CYS C C 177.109 0.300 1 169 22 22 CYS CA C 58.710 0.300 1 170 22 22 CYS CB C 30.812 0.300 1 171 22 22 CYS N N 127.638 0.300 1 172 23 23 ALA H H 9.141 0.030 1 173 23 23 ALA HA H 4.162 0.030 1 174 23 23 ALA HB H 1.511 0.030 1 175 23 23 ALA C C 180.134 0.300 1 176 23 23 ALA CA C 54.922 0.300 1 177 23 23 ALA CB C 18.909 0.300 1 178 23 23 ALA N N 133.399 0.300 1 179 24 24 GLY H H 8.656 0.030 1 180 24 24 GLY HA2 H 2.517 0.030 2 181 24 24 GLY HA3 H 3.910 0.030 2 182 24 24 GLY C C 174.587 0.300 1 183 24 24 GLY CA C 45.585 0.300 1 184 24 24 GLY N N 109.270 0.300 1 185 25 25 CYS H H 7.416 0.030 1 186 25 25 CYS HA H 4.727 0.030 1 187 25 25 CYS HB2 H 2.948 0.030 2 188 25 25 CYS HB3 H 3.949 0.030 2 189 25 25 CYS C C 174.993 0.300 1 190 25 25 CYS CA C 59.520 0.300 1 191 25 25 CYS CB C 29.069 0.300 1 192 25 25 CYS N N 123.919 0.300 1 193 26 26 ASP H H 7.753 0.030 1 194 26 26 ASP HA H 4.290 0.030 1 195 26 26 ASP HB2 H 2.554 0.030 2 196 26 26 ASP HB3 H 2.983 0.030 2 197 26 26 ASP C C 175.758 0.300 1 198 26 26 ASP CA C 55.544 0.300 1 199 26 26 ASP CB C 39.770 0.300 1 200 26 26 ASP N N 116.069 0.300 1 201 27 27 GLY H H 8.155 0.030 1 202 27 27 GLY HA2 H 3.215 0.030 2 203 27 27 GLY HA3 H 4.115 0.030 2 204 27 27 GLY C C 173.982 0.300 1 205 27 27 GLY CA C 45.531 0.300 1 206 27 27 GLY N N 103.806 0.300 1 207 28 28 ASP H H 7.298 0.030 1 208 28 28 ASP HA H 4.420 0.030 1 209 28 28 ASP HB2 H 2.711 0.030 1 210 28 28 ASP HB3 H 2.711 0.030 1 211 28 28 ASP C C 174.447 0.300 1 212 28 28 ASP CA C 55.534 0.300 1 213 28 28 ASP CB C 41.553 0.300 1 214 28 28 ASP N N 121.343 0.300 1 215 29 29 LEU H H 8.091 0.030 1 216 29 29 LEU HA H 5.047 0.030 1 217 29 29 LEU HB2 H 0.700 0.030 2 218 29 29 LEU HB3 H 1.610 0.030 2 219 29 29 LEU HD1 H 0.234 0.030 1 220 29 29 LEU HD2 H 0.182 0.030 1 221 29 29 LEU HG H 1.491 0.030 1 222 29 29 LEU C C 176.801 0.300 1 223 29 29 LEU CA C 52.925 0.300 1 224 29 29 LEU CB C 43.110 0.300 1 225 29 29 LEU CD1 C 25.304 0.300 2 226 29 29 LEU CD2 C 22.845 0.300 2 227 29 29 LEU CG C 26.417 0.300 1 228 29 29 LEU N N 118.520 0.300 1 229 30 30 TYR H H 9.101 0.030 1 230 30 30 TYR HA H 6.195 0.030 1 231 30 30 TYR HB2 H 2.487 0.030 2 232 30 30 TYR HB3 H 3.926 0.030 2 233 30 30 TYR HD1 H 7.074 0.030 1 234 30 30 TYR HD2 H 7.074 0.030 1 235 30 30 TYR HE1 H 6.812 0.030 1 236 30 30 TYR HE2 H 6.812 0.030 1 237 30 30 TYR C C 177.381 0.300 1 238 30 30 TYR CA C 57.293 0.300 1 239 30 30 TYR CB C 45.963 0.300 1 240 30 30 TYR CD1 C 133.372 0.300 1 241 30 30 TYR CD2 C 133.372 0.300 1 242 30 30 TYR CE1 C 119.216 0.300 1 243 30 30 TYR CE2 C 119.216 0.300 1 244 30 30 TYR N N 117.442 0.300 1 245 31 31 CYS H H 9.496 0.030 1 246 31 31 CYS HA H 5.253 0.030 1 247 31 31 CYS HB2 H 3.167 0.030 2 248 31 31 CYS HB3 H 3.539 0.030 2 249 31 31 CYS C C 175.562 0.300 1 250 31 31 CYS CA C 57.967 0.300 1 251 31 31 CYS CB C 31.276 0.300 1 252 31 31 CYS N N 118.998 0.300 1 253 32 32 ALA H H 8.743 0.030 1 254 32 32 ALA HA H 3.939 0.030 1 255 32 32 ALA HB H 1.455 0.030 1 256 32 32 ALA C C 180.204 0.300 1 257 32 32 ALA CA C 56.062 0.300 1 258 32 32 ALA CB C 18.297 0.300 1 259 32 32 ALA N N 122.627 0.300 1 260 33 33 ARG H H 8.347 0.030 1 261 33 33 ARG HA H 4.052 0.030 1 262 33 33 ARG HB2 H 1.972 0.030 2 263 33 33 ARG HB3 H 2.178 0.030 2 264 33 33 ARG HD2 H 3.217 0.030 2 265 33 33 ARG HD3 H 3.070 0.030 2 266 33 33 ARG HE H 7.440 0.030 1 267 33 33 ARG HG2 H 1.810 0.030 2 268 33 33 ARG HG3 H 1.491 0.030 2 269 33 33 ARG C C 178.848 0.300 1 270 33 33 ARG CA C 59.800 0.300 1 271 33 33 ARG CB C 29.315 0.300 1 272 33 33 ARG CD C 42.583 0.300 1 273 33 33 ARG CG C 26.383 0.300 1 274 33 33 ARG N N 120.352 0.300 1 275 33 33 ARG NE N 84.903 0.300 1 276 34 34 CYS H H 9.232 0.030 1 277 34 34 CYS HA H 3.968 0.030 1 278 34 34 CYS HB2 H 3.236 0.030 2 279 34 34 CYS HB3 H 3.175 0.030 2 280 34 34 CYS C C 179.893 0.300 1 281 34 34 CYS CA C 64.304 0.300 1 282 34 34 CYS CB C 30.642 0.300 1 283 34 34 CYS N N 123.391 0.300 1 284 35 35 PHE H H 8.746 0.030 1 285 35 35 PHE HA H 3.256 0.030 1 286 35 35 PHE HB2 H 2.794 0.030 2 287 35 35 PHE HB3 H 2.918 0.030 2 288 35 35 PHE HD1 H 6.361 0.030 1 289 35 35 PHE HD2 H 6.361 0.030 1 290 35 35 PHE HE1 H 6.912 0.030 1 291 35 35 PHE HE2 H 6.912 0.030 1 292 35 35 PHE HZ H 6.834 0.030 1 293 35 35 PHE C C 177.728 0.300 1 294 35 35 PHE CA C 63.162 0.300 1 295 35 35 PHE CB C 39.339 0.300 1 296 35 35 PHE CD1 C 130.218 0.300 1 297 35 35 PHE CD2 C 130.218 0.300 1 298 35 35 PHE CE1 C 131.517 0.300 1 299 35 35 PHE CE2 C 131.517 0.300 1 300 35 35 PHE CZ C 130.310 0.300 1 301 35 35 PHE N N 119.737 0.300 1 302 36 36 ARG H H 7.812 0.030 1 303 36 36 ARG HA H 3.822 0.030 1 304 36 36 ARG HB2 H 2.015 0.030 1 305 36 36 ARG HB3 H 2.015 0.030 1 306 36 36 ARG HD2 H 3.257 0.030 1 307 36 36 ARG HD3 H 3.257 0.030 1 308 36 36 ARG HG2 H 1.688 0.030 2 309 36 36 ARG HG3 H 1.784 0.030 2 310 36 36 ARG C C 178.895 0.300 1 311 36 36 ARG CA C 59.239 0.300 1 312 36 36 ARG CB C 29.857 0.300 1 313 36 36 ARG CD C 43.355 0.300 1 314 36 36 ARG CG C 27.195 0.300 1 315 36 36 ARG N N 119.301 0.300 1 316 37 37 GLU H H 8.110 0.030 1 317 37 37 GLU HA H 3.981 0.030 1 318 37 37 GLU HB2 H 1.928 0.030 2 319 37 37 GLU HB3 H 2.006 0.030 2 320 37 37 GLU HG2 H 2.469 0.030 2 321 37 37 GLU HG3 H 2.240 0.030 2 322 37 37 GLU C C 178.678 0.300 1 323 37 37 GLU CA C 58.781 0.300 1 324 37 37 GLU CB C 29.763 0.300 1 325 37 37 GLU CG C 36.645 0.300 1 326 37 37 GLU N N 116.713 0.300 1 327 38 38 GLY H H 7.754 0.030 1 328 38 38 GLY HA2 H 3.474 0.030 2 329 38 38 GLY HA3 H 4.051 0.030 2 330 38 38 GLY C C 174.005 0.300 1 331 38 38 GLY CA C 45.300 0.300 1 332 38 38 GLY N N 103.860 0.300 1 333 39 39 HIS H H 7.089 0.030 1 334 39 39 HIS HA H 4.009 0.030 1 335 39 39 HIS HB2 H 1.881 0.030 2 336 39 39 HIS HB3 H 2.770 0.030 2 337 39 39 HIS HD2 H 5.988 0.030 1 338 39 39 HIS HE1 H 6.578 0.030 1 339 39 39 HIS C C 174.149 0.300 1 340 39 39 HIS CA C 56.010 0.300 1 341 39 39 HIS CB C 27.315 0.300 1 342 39 39 HIS CD2 C 125.449 0.300 1 343 39 39 HIS CE1 C 137.734 0.300 1 344 39 39 HIS N N 116.223 0.300 1 345 40 40 ASP H H 7.532 0.030 1 346 40 40 ASP HA H 4.460 0.030 1 347 40 40 ASP HB2 H 2.607 0.030 2 348 40 40 ASP HB3 H 2.532 0.030 2 349 40 40 ASP C C 176.193 0.300 1 350 40 40 ASP CA C 55.321 0.300 1 351 40 40 ASP CB C 40.828 0.300 1 352 40 40 ASP N N 120.750 0.300 1 353 41 41 ASN H H 8.015 0.030 1 354 41 41 ASN HA H 4.588 0.030 1 355 41 41 ASN HB2 H 2.671 0.030 2 356 41 41 ASN HB3 H 2.548 0.030 2 357 41 41 ASN HD21 H 6.708 0.030 2 358 41 41 ASN HD22 H 7.403 0.030 2 359 41 41 ASN C C 175.139 0.300 1 360 41 41 ASN CA C 53.341 0.300 1 361 41 41 ASN CB C 39.070 0.300 1 362 41 41 ASN N N 116.123 0.300 1 363 41 41 ASN ND2 N 113.316 0.300 1 364 42 42 PHE H H 7.896 0.030 1 365 42 42 PHE HA H 4.563 0.030 1 366 42 42 PHE HB2 H 2.808 0.030 2 367 42 42 PHE HB3 H 2.964 0.030 2 368 42 42 PHE HD1 H 6.896 0.030 1 369 42 42 PHE HD2 H 6.896 0.030 1 370 42 42 PHE HE1 H 7.156 0.030 1 371 42 42 PHE HE2 H 7.156 0.030 1 372 42 42 PHE HZ H 7.209 0.030 1 373 42 42 PHE C C 175.557 0.300 1 374 42 42 PHE CA C 57.533 0.300 1 375 42 42 PHE CB C 39.785 0.300 1 376 42 42 PHE CD1 C 131.041 0.300 1 377 42 42 PHE CD2 C 131.041 0.300 1 378 42 42 PHE CE1 C 131.260 0.300 1 379 42 42 PHE CE2 C 131.260 0.300 1 380 42 42 PHE CZ C 129.836 0.300 1 381 42 42 PHE N N 118.763 0.300 1 382 43 43 ASP H H 8.429 0.030 1 383 43 43 ASP HA H 4.595 0.030 1 384 43 43 ASP HB2 H 2.604 0.030 2 385 43 43 ASP HB3 H 2.791 0.030 2 386 43 43 ASP C C 177.739 0.300 1 387 43 43 ASP CA C 54.719 0.300 1 388 43 43 ASP CB C 40.851 0.300 1 389 43 43 ASP N N 119.003 0.300 1 390 44 44 LEU H H 8.418 0.030 1 391 44 44 LEU HA H 4.017 0.030 1 392 44 44 LEU HB2 H 1.592 0.030 2 393 44 44 LEU HB3 H 1.453 0.030 2 394 44 44 LEU HD1 H 0.741 0.030 1 395 44 44 LEU HD2 H 0.867 0.030 1 396 44 44 LEU HG H 1.704 0.030 1 397 44 44 LEU C C 178.611 0.300 1 398 44 44 LEU CA C 56.726 0.300 1 399 44 44 LEU CB C 41.297 0.300 1 400 44 44 LEU CD1 C 22.845 0.300 2 401 44 44 LEU CD2 C 25.302 0.300 2 402 44 44 LEU CG C 27.137 0.300 1 403 44 44 LEU N N 123.907 0.300 1 404 45 45 LYS H H 8.162 0.030 1 405 45 45 LYS HA H 4.110 0.030 1 406 45 45 LYS HB2 H 1.940 0.030 2 407 45 45 LYS HB3 H 1.857 0.030 2 408 45 45 LYS HD2 H 1.684 0.030 1 409 45 45 LYS HD3 H 1.684 0.030 1 410 45 45 LYS HE2 H 2.980 0.030 1 411 45 45 LYS HE3 H 2.980 0.030 1 412 45 45 LYS HG2 H 1.450 0.030 1 413 45 45 LYS HG3 H 1.450 0.030 1 414 45 45 LYS C C 177.921 0.300 1 415 45 45 LYS CA C 58.857 0.300 1 416 45 45 LYS CB C 31.952 0.300 1 417 45 45 LYS CD C 29.128 0.300 1 418 45 45 LYS CE C 41.956 0.300 1 419 45 45 LYS CG C 24.924 0.300 1 420 45 45 LYS N N 118.892 0.300 1 421 46 46 GLU H H 7.894 0.030 1 422 46 46 GLU HA H 4.362 0.030 1 423 46 46 GLU HB2 H 2.029 0.030 2 424 46 46 GLU HB3 H 2.235 0.030 2 425 46 46 GLU HG2 H 2.148 0.030 2 426 46 46 GLU HG3 H 2.304 0.030 2 427 46 46 GLU C C 177.262 0.300 1 428 46 46 GLU CA C 56.344 0.300 1 429 46 46 GLU CB C 29.957 0.300 1 430 46 46 GLU CG C 36.317 0.300 1 431 46 46 GLU N N 116.576 0.300 1 432 47 47 HIS H H 8.154 0.030 1 433 47 47 HIS HA H 4.265 0.030 1 434 47 47 HIS HB2 H 3.058 0.030 2 435 47 47 HIS HB3 H 3.541 0.030 2 436 47 47 HIS HD2 H 7.368 0.030 1 437 47 47 HIS HE1 H 7.758 0.030 1 438 47 47 HIS C C 173.541 0.300 1 439 47 47 HIS CA C 56.175 0.300 1 440 47 47 HIS CB C 31.117 0.300 1 441 47 47 HIS CD2 C 119.058 0.300 1 442 47 47 HIS CE1 C 140.759 0.300 1 443 47 47 HIS N N 121.973 0.300 1 444 48 48 GLN H H 8.025 0.030 1 445 48 48 GLN HA H 4.422 0.030 1 446 48 48 GLN HB2 H 2.099 0.030 2 447 48 48 GLN HB3 H 1.951 0.030 2 448 48 48 GLN HE21 H 7.624 0.030 2 449 48 48 GLN HE22 H 6.906 0.030 2 450 48 48 GLN HG2 H 2.406 0.030 1 451 48 48 GLN HG3 H 2.406 0.030 1 452 48 48 GLN C C 175.916 0.300 1 453 48 48 GLN CA C 55.592 0.300 1 454 48 48 GLN CB C 29.889 0.300 1 455 48 48 GLN CG C 34.063 0.300 1 456 48 48 GLN N N 120.436 0.300 1 457 48 48 GLN NE2 N 113.752 0.300 1 458 49 49 THR H H 8.296 0.030 1 459 49 49 THR HA H 5.462 0.030 1 460 49 49 THR HB H 3.814 0.030 1 461 49 49 THR HG2 H 0.458 0.030 1 462 49 49 THR C C 174.613 0.300 1 463 49 49 THR CA C 59.305 0.300 1 464 49 49 THR CB C 72.049 0.300 1 465 49 49 THR CG2 C 23.317 0.300 1 466 49 49 THR N N 113.240 0.300 1 467 50 50 SER H H 8.500 0.030 1 468 50 50 SER HA H 4.958 0.030 1 469 50 50 SER HB2 H 3.872 0.030 2 470 50 50 SER HB3 H 3.785 0.030 2 471 50 50 SER C C 171.269 0.300 1 472 50 50 SER CA C 55.659 0.300 1 473 50 50 SER CB C 64.731 0.300 1 474 50 50 SER N N 113.893 0.300 1 475 51 51 PRO HA H 4.526 0.030 1 476 51 51 PRO HB2 H 1.672 0.030 2 477 51 51 PRO HB3 H 2.294 0.030 2 478 51 51 PRO HD2 H 3.653 0.030 2 479 51 51 PRO HD3 H 3.816 0.030 2 480 51 51 PRO HG2 H 2.083 0.030 2 481 51 51 PRO HG3 H 1.978 0.030 2 482 51 51 PRO C C 176.041 0.300 1 483 51 51 PRO CA C 62.961 0.300 1 484 51 51 PRO CB C 32.279 0.300 1 485 51 51 PRO CD C 50.670 0.300 1 486 51 51 PRO CG C 27.634 0.300 1 487 52 52 TYR H H 7.820 0.030 1 488 52 52 TYR HA H 4.421 0.030 1 489 52 52 TYR HB2 H 2.188 0.030 2 490 52 52 TYR HB3 H 2.398 0.030 2 491 52 52 TYR HD1 H 6.764 0.030 1 492 52 52 TYR HD2 H 6.764 0.030 1 493 52 52 TYR HE1 H 6.615 0.030 1 494 52 52 TYR HE2 H 6.615 0.030 1 495 52 52 TYR C C 173.133 0.300 1 496 52 52 TYR CA C 57.194 0.300 1 497 52 52 TYR CB C 40.751 0.300 1 498 52 52 TYR CD1 C 132.920 0.300 1 499 52 52 TYR CD2 C 132.920 0.300 1 500 52 52 TYR CE1 C 118.317 0.300 1 501 52 52 TYR CE2 C 118.317 0.300 1 502 52 52 TYR N N 124.116 0.300 1 503 53 53 HIS H H 7.666 0.030 1 504 53 53 HIS HA H 4.764 0.030 1 505 53 53 HIS HB2 H 2.886 0.030 2 506 53 53 HIS HB3 H 2.756 0.030 2 507 53 53 HIS HD2 H 6.906 0.030 1 508 53 53 HIS HE1 H 7.857 0.030 1 509 53 53 HIS C C 172.233 0.300 1 510 53 53 HIS CA C 52.919 0.300 1 511 53 53 HIS CB C 30.861 0.300 1 512 53 53 HIS CD2 C 120.265 0.300 1 513 53 53 HIS CE1 C 137.907 0.300 1 514 53 53 HIS N N 125.831 0.300 1 515 54 54 PRO HA H 4.193 0.030 1 516 54 54 PRO HB2 H 1.854 0.030 2 517 54 54 PRO HB3 H 2.267 0.030 2 518 54 54 PRO HD2 H 3.421 0.030 2 519 54 54 PRO HD3 H 3.482 0.030 2 520 54 54 PRO HG2 H 2.014 0.030 2 521 54 54 PRO HG3 H 1.916 0.030 2 522 54 54 PRO C C 176.628 0.300 1 523 54 54 PRO CA C 62.881 0.300 1 524 54 54 PRO CB C 32.199 0.300 1 525 54 54 PRO CD C 50.756 0.300 1 526 54 54 PRO CG C 27.290 0.300 1 527 55 55 ARG H H 8.440 0.030 1 528 55 55 ARG HA H 4.261 0.030 1 529 55 55 ARG HB2 H 1.789 0.030 2 530 55 55 ARG HB3 H 1.714 0.030 2 531 55 55 ARG HD2 H 3.151 0.030 1 532 55 55 ARG HD3 H 3.151 0.030 1 533 55 55 ARG HG2 H 1.590 0.030 2 534 55 55 ARG HG3 H 1.554 0.030 2 535 55 55 ARG C C 175.940 0.300 1 536 55 55 ARG CA C 55.970 0.300 1 537 55 55 ARG CB C 30.557 0.300 1 538 55 55 ARG CD C 43.288 0.300 1 539 55 55 ARG CG C 27.243 0.300 1 540 55 55 ARG N N 120.927 0.300 1 541 56 56 ARG H H 8.327 0.030 1 542 56 56 ARG HA H 4.608 0.030 1 543 56 56 ARG HB2 H 1.826 0.030 2 544 56 56 ARG HB3 H 1.680 0.030 2 545 56 56 ARG HD2 H 3.151 0.030 1 546 56 56 ARG HD3 H 3.151 0.030 1 547 56 56 ARG HG2 H 1.619 0.030 1 548 56 56 ARG HG3 H 1.619 0.030 1 549 56 56 ARG CA C 53.702 0.300 1 550 56 56 ARG CB C 30.385 0.300 1 551 56 56 ARG CD C 43.380 0.300 1 552 56 56 ARG CG C 26.924 0.300 1 553 56 56 ARG N N 123.800 0.300 1 554 57 57 PRO HB2 H 1.962 0.030 2 555 57 57 PRO HB3 H 2.260 0.030 2 556 57 57 PRO HD2 H 3.625 0.030 2 557 57 57 PRO HD3 H 3.769 0.030 2 558 57 57 PRO HG2 H 1.673 0.030 2 559 57 57 PRO HG3 H 1.852 0.030 2 560 57 57 PRO CA C 63.000 0.300 1 561 57 57 PRO CB C 32.310 0.300 1 562 57 57 PRO CD C 50.631 0.300 1 563 57 57 PRO CG C 27.621 0.300 1 564 58 58 CYS HA H 4.431 0.030 1 565 58 58 CYS HB2 H 2.932 0.030 1 566 58 58 CYS HB3 H 2.932 0.030 1 567 58 58 CYS CA C 58.786 0.300 1 568 58 58 CYS CB C 28.033 0.300 1 569 59 59 GLN HA H 4.312 0.030 1 570 59 59 GLN HB2 H 1.984 0.030 2 571 59 59 GLN HB3 H 2.118 0.030 2 572 59 59 GLN HE21 H 6.875 0.030 2 573 59 59 GLN HE22 H 7.548 0.030 2 574 59 59 GLN HG2 H 2.344 0.030 1 575 59 59 GLN HG3 H 2.344 0.030 1 576 59 59 GLN CA C 55.970 0.300 1 577 59 59 GLN CB C 29.133 0.300 1 578 59 59 GLN CG C 33.909 0.300 1 579 59 59 GLN NE2 N 112.634 0.300 1 580 60 60 GLU HA H 4.214 0.030 1 581 60 60 GLU HB2 H 1.927 0.030 2 582 60 60 GLU HB3 H 1.651 0.030 2 583 60 60 GLU HG2 H 2.183 0.030 2 584 60 60 GLU HG3 H 2.023 0.030 2 585 60 60 GLU CA C 56.726 0.300 1 586 60 60 GLU CB C 30.004 0.300 1 587 60 60 GLU CG C 36.212 0.300 1 588 61 61 HIS HA H 4.689 0.030 1 589 61 61 HIS HB2 H 3.081 0.030 2 590 61 61 HIS HB3 H 3.157 0.030 2 591 61 61 HIS HD2 H 7.038 0.030 1 592 61 61 HIS HE1 H 7.900 0.030 1 593 61 61 HIS CA C 56.203 0.300 1 594 61 61 HIS CB C 30.702 0.300 1 595 61 61 HIS CD2 C 119.937 0.300 1 596 61 61 HIS CE1 C 138.154 0.300 1 597 62 62 SER HA H 4.490 0.030 1 598 62 62 SER HB2 H 3.881 0.030 1 599 62 62 SER HB3 H 3.881 0.030 1 600 62 62 SER C C 174.497 0.300 1 601 62 62 SER CA C 58.287 0.300 1 602 62 62 SER CB C 63.762 0.300 1 stop_ save_