data_16402 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Solution structure of SCA7 zinc finger domain from human Ataxin-7-L3 protein ; _BMRB_accession_number 16402 _BMRB_flat_file_name bmr16402.str _Entry_type original _Submission_date 2009-07-10 _Accession_date 2009-07-10 _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 Wang Ying-Hui . . 2 Atkinson Andrew R. . 3 Bonnet Jacques . . 4 Romier Christophe . . 5 Kieffer Bruno . . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 476 "13C chemical shifts" 328 "15N chemical shifts" 91 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2010-10-18 original author . stop_ _Original_release_date 2010-10-18 save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full . _Citation_title 'The structural plasticity of SCA7 domains defines their differential nucleosome-binding properties.' _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 20634802 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Bonnet Jacques . . 2 Wang Ying-Hui . . 3 Spedale Gianpiero . . 4 Atkinson 'R. Andrew' . . 5 Romier Christophe . . 6 Hamiche Ali . . 7 Pijnappel 'W. W M Pim' . . 8 Timmers 'H. Th Marc' . . 9 Tora Laszlo . . 10 Devys Didier . . 11 Kieffer Bruno . . stop_ _Journal_abbreviation 'EMBO Rep.' _Journal_name_full 'EMBO reports' _Journal_volume 11 _Journal_issue 8 _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 612 _Page_last 618 _Year 2010 _Details . save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name 'human Ataxin-7-L3' _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label SCA7 $entity_1 'ZINC ION' $ZN stop_ _System_molecular_weight . _System_physical_state native _System_oligomer_state ? _System_paramagnetic no _System_thiol_state . _Database_query_date . _Details . save_ ######################## # Monomeric polymers # ######################## save_entity_1 _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common SCA7 _Molecular_mass . _Mol_thiol_state 'all other bound' loop_ _Biological_function 'HISTONE DEUBIQUITINATION' stop_ _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 82 _Mol_residue_sequence ; HMGPEELRSLLTTQCGVISE HTKKMCTRSLRCPQHTDEQR RTVRIYFLGPSAVLPEVESS LDNDSFDMTDSQALISRLQW DG ; loop_ _Residue_seq_code _Residue_author_seq_code _Residue_label 1 -1 HIS 2 0 MET 3 1 GLY 4 2 PRO 5 3 GLU 6 4 GLU 7 5 LEU 8 6 ARG 9 7 SER 10 8 LEU 11 9 LEU 12 10 THR 13 11 THR 14 12 GLN 15 13 CYS 16 14 GLY 17 15 VAL 18 16 ILE 19 17 SER 20 18 GLU 21 19 HIS 22 20 THR 23 21 LYS 24 22 LYS 25 23 MET 26 24 CYS 27 25 THR 28 26 ARG 29 27 SER 30 28 LEU 31 29 ARG 32 30 CYS 33 31 PRO 34 32 GLN 35 33 HIS 36 34 THR 37 35 ASP 38 36 GLU 39 37 GLN 40 38 ARG 41 39 ARG 42 40 THR 43 41 VAL 44 42 ARG 45 43 ILE 46 44 TYR 47 45 PHE 48 46 LEU 49 47 GLY 50 48 PRO 51 49 SER 52 50 ALA 53 51 VAL 54 52 LEU 55 53 PRO 56 54 GLU 57 55 VAL 58 56 GLU 59 57 SER 60 58 SER 61 59 LEU 62 60 ASP 63 61 ASN 64 62 ASP 65 63 SER 66 64 PHE 67 65 ASP 68 66 MET 69 67 THR 70 68 ASP 71 69 SER 72 70 GLN 73 71 ALA 74 72 LEU 75 73 ILE 76 74 SER 77 75 ARG 78 76 LEU 79 77 GLN 80 78 TRP 81 79 ASP 82 80 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 2KKT "Solution Structure Of The Sca7 Domain Of Human Ataxin-7-L3 P" 100.00 84 98.78 100.00 8.52e-53 DBJ BAB71070 "unnamed protein product [Homo sapiens]" 98.78 222 98.77 100.00 1.18e-51 DBJ BAC41186 "unnamed protein product [Mus musculus]" 98.78 308 97.53 98.77 3.24e-49 DBJ BAG59283 "unnamed protein product [Homo sapiens]" 70.73 129 100.00 100.00 1.29e-34 EMBL CAB99093 "hypothetical protein [Homo sapiens]" 98.78 187 98.77 100.00 9.67e-52 GB AAH37418 "ATXN7L3 protein, partial [Homo sapiens]" 98.78 353 98.77 100.00 2.74e-49 GB AAI13596 "ATXN7L3 protein [Homo sapiens]" 98.78 347 98.77 100.00 1.70e-49 GB AAI26114 "ATXN7L3 protein [Homo sapiens]" 98.78 347 98.77 100.00 1.70e-49 GB ADR82942 "ataxin 7-like 3 (ATXN7L3), transcript variant 2 [synthetic construct]" 98.78 347 98.77 100.00 1.70e-49 GB AIC51952 "ATXN7L3, partial [synthetic construct]" 98.78 347 98.77 100.00 1.70e-49 REF NP_001092303 "ataxin-7-like protein 3 isoform b [Homo sapiens]" 98.78 347 98.77 100.00 1.70e-49 REF NP_001092306 "ataxin-7-like protein 3 isoform a [Mus musculus]" 98.78 354 97.53 98.77 1.06e-48 REF NP_001092307 "ataxin-7-like protein 3 isoform b [Mus musculus]" 98.78 347 97.53 98.77 6.39e-49 REF NP_001179537 "ataxin-7-like protein 3 [Bos taurus]" 98.78 347 97.53 98.77 3.51e-48 REF NP_064603 "ataxin-7-like protein 3 isoform a [Homo sapiens]" 98.78 354 98.77 100.00 2.69e-49 SP A2AWT3 "RecName: Full=Ataxin-7-like protein 3; AltName: Full=SAGA-associated factor 11 homolog" 98.78 347 97.53 98.77 6.39e-49 SP Q14CW9 "RecName: Full=Ataxin-7-like protein 3; AltName: Full=SAGA-associated factor 11 homolog" 98.78 347 98.77 100.00 1.70e-49 TPG DAA18386 "TPA: ataxin 7-like 3-like [Bos taurus]" 98.78 347 97.53 98.77 3.51e-48 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 _Gene_mnemonic $entity_1 Human 9606 Eukaryota Metazoa Homo sapiens ATXN7L3 stop_ save_ ######################### # Experimental source # ######################### save_experimental_source _Saveframe_category experimental_source loop_ _Mol_label _Production_method _Host_organism_name_common _Genus _Species _Strain _Vector_name $entity_1 'recombinant technology' . Escherichia coli 'BL21 [DE3]' pGEX-4T1 $ZN 'recombinant technology' . Escherichia coli 'BL21 [DE3]' pGEX-4T1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling 'sodium phosphate' 50 mM 'natural abundance' 'sodium chloride' 200 mM 'natural abundance' DTT 2 mM 'natural abundance' $entity_1 0.3 mM '[U-99% 13C; U-99% 15N]' H2O 90 % 'natural abundance' D2O 10 % 'natural abundance' stop_ save_ save_sample_2 _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling 'sodium phosphate' 50 mM 'natural abundance' 'sodium chloride' 200 mM 'natural abundance' DTT 2 mM 'natural abundance' $entity_1 0.6 mM 'natural abundance' H2O 90 % 'natural abundance' D2O 10 % 'natural abundance' stop_ save_ ############################ # Computer software used # ############################ save_X-PLOR_NIH _Saveframe_category software _Name 'X-PLOR NIH' _Version . loop_ _Vendor _Address _Electronic_address 'Schwieters, Kuszewski, Tjandra and Clore' . . stop_ loop_ _Task refinement 'structure solution' stop_ _Details ATNOS/CANDID save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model DRX _Field_strength 600 _Details . save_ save_spectrometer_2 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model Avance _Field_strength 950 _Details . save_ ############################# # NMR applied experiments # ############################# save_3D_HNCO_1 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCO' _Sample_label $sample_1 save_ save_3D_HNCA_2 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCA' _Sample_label $sample_1 save_ save_3D_HNCACB_3 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCACB' _Sample_label $sample_1 save_ save_3D_HN(CO)CA_4 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HN(CO)CA' _Sample_label $sample_1 save_ save_3D_HCCH-TOCSY_5 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HCCH-TOCSY' _Sample_label $sample_1 save_ save_2D_1H-1H_NOESY_6 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-1H NOESY' _Sample_label $sample_2 save_ save_2D_1H-1H_TOCSY_7 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-1H TOCSY' _Sample_label $sample_2 save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Saveframe_category sample_conditions _Details . loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units 'ionic strength' 0.3 0.03 M pH 7.1 0.1 pH pressure 1 . atm temperature 295 0.4 K stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference_1 _Saveframe_category chemical_shift_reference _Details . 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 H 1 'methyl protons' ppm 0.000 external direct . . . 1.0000 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_assigned_chem_shift_list_1 _Saveframe_category assigned_chemical_shifts _Details . loop_ _Software_label $X-PLOR_NIH stop_ loop_ _Experiment_label '2D 1H-1H NOESY' '2D 1H-1H TOCSY' stop_ loop_ _Sample_label $sample_2 stop_ _Sample_conditions_label $sample_conditions_1 _Chem_shift_reference_set_label $chemical_shift_reference_1 _Mol_system_component_name SCA7 _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 -1 1 HIS HA H 4.724 0.020 1 2 -1 1 HIS HB2 H 3.184 0.020 2 3 -1 1 HIS HB3 H 3.122 0.020 2 4 -1 1 HIS HD2 H 7.111 0.020 1 5 -1 1 HIS HE1 H 8.083 0.020 1 6 -1 1 HIS C C 174.724 0.300 1 7 -1 1 HIS CA C 55.967 0.300 1 8 -1 1 HIS CB C 30.467 0.300 1 9 -1 1 HIS CD2 C 120.271 0.300 1 10 -1 1 HIS CE1 C 137.739 0.300 1 11 -1 1 HIS ND1 N 216.441 0.300 1 12 -1 1 HIS NE2 N 181.848 0.300 1 13 0 2 MET H H 8.376 0.020 1 14 0 2 MET HE H 1.960 0.020 . 15 0 2 MET C C 175.609 0.300 1 16 0 2 MET CA C 55.622 0.300 1 17 0 2 MET CB C 33.910 0.300 1 18 0 2 MET CE C 17.289 0.300 1 19 0 2 MET N N 123.557 0.300 1 20 1 3 GLY H H 8.630 0.020 1 21 1 3 GLY HA2 H 4.020 0.020 . 22 1 3 GLY HA3 H 4.424 0.020 2 23 1 3 GLY CA C 44.398 0.300 1 24 1 3 GLY N N 111.903 0.300 1 25 2 4 PRO HA H 4.213 0.020 1 26 2 4 PRO HB2 H 2.412 0.020 2 27 2 4 PRO HB3 H 2.023 0.020 2 28 2 4 PRO HD2 H 3.848 0.020 2 29 2 4 PRO HD3 H 3.760 0.020 2 30 2 4 PRO HG2 H 2.209 0.020 2 31 2 4 PRO HG3 H 2.139 0.020 2 32 2 4 PRO C C 178.994 0.300 1 33 2 4 PRO CA C 65.461 0.300 1 34 2 4 PRO CB C 31.646 0.300 1 35 2 4 PRO CD C 49.592 0.300 1 36 2 4 PRO CG C 27.545 0.300 1 37 3 5 GLU H H 8.736 0.020 1 38 3 5 GLU HA H 4.098 0.020 1 39 3 5 GLU HB2 H 2.042 0.020 2 40 3 5 GLU HB3 H 2.042 0.020 2 41 3 5 GLU HG2 H 2.361 0.020 2 42 3 5 GLU HG3 H 2.361 0.020 2 43 3 5 GLU C C 179.162 0.300 1 44 3 5 GLU CA C 59.332 0.300 1 45 3 5 GLU CB C 28.522 0.300 1 46 3 5 GLU CG C 36.311 0.300 1 47 3 5 GLU N N 118.500 0.300 1 48 4 6 GLU H H 8.027 0.020 1 49 4 6 GLU HA H 4.078 0.020 1 50 4 6 GLU HB2 H 2.183 0.020 2 51 4 6 GLU HB3 H 2.014 0.020 2 52 4 6 GLU HG2 H 2.423 0.020 2 53 4 6 GLU HG3 H 2.302 0.020 2 54 4 6 GLU C C 179.162 0.300 1 55 4 6 GLU CA C 59.487 0.300 1 56 4 6 GLU CB C 29.615 0.300 1 57 4 6 GLU CG C 36.576 0.300 1 58 4 6 GLU N N 122.240 0.300 1 59 5 7 LEU H H 8.189 0.020 1 60 5 7 LEU HA H 3.911 0.020 1 61 5 7 LEU HB2 H 1.600 0.020 2 62 5 7 LEU HB3 H 1.297 0.020 2 63 5 7 LEU HD1 H 0.521 0.020 . 64 5 7 LEU HD2 H 0.404 0.020 . 65 5 7 LEU HG H 1.358 0.020 1 66 5 7 LEU C C 178.078 0.300 1 67 5 7 LEU CA C 57.869 0.300 1 68 5 7 LEU CB C 42.033 0.300 1 69 5 7 LEU CD1 C 24.624 0.300 2 70 5 7 LEU CD2 C 24.092 0.300 2 71 5 7 LEU CG C 27.014 0.300 1 72 5 7 LEU N N 121.927 0.300 1 73 6 8 ARG H H 8.196 0.020 1 74 6 8 ARG HA H 3.797 0.020 1 75 6 8 ARG HB2 H 1.925 0.020 2 76 6 8 ARG HB3 H 1.892 0.020 2 77 6 8 ARG HD2 H 3.275 0.020 2 78 6 8 ARG HD3 H 3.203 0.020 2 79 6 8 ARG HE H 7.573 0.020 1 80 6 8 ARG HG2 H 1.739 0.020 2 81 6 8 ARG HG3 H 1.547 0.020 2 82 6 8 ARG C C 179.184 0.300 1 83 6 8 ARG CA C 60.079 0.300 1 84 6 8 ARG CB C 29.615 0.300 1 85 6 8 ARG CD C 42.951 0.300 1 86 6 8 ARG CG C 27.811 0.300 1 87 6 8 ARG N N 118.731 0.300 1 88 7 9 SER H H 7.813 0.020 1 89 7 9 SER HA H 4.239 0.020 1 90 7 9 SER HB2 H 3.993 0.020 2 91 7 9 SER HB3 H 3.993 0.020 2 92 7 9 SER C C 177.989 0.300 1 93 7 9 SER CA C 61.510 0.300 1 94 7 9 SER CB C 62.416 0.300 1 95 7 9 SER N N 114.029 0.300 1 96 8 10 LEU H H 8.145 0.020 1 97 8 10 LEU HA H 4.058 0.020 1 98 8 10 LEU HB2 H 1.772 0.020 2 99 8 10 LEU HB3 H 1.609 0.020 2 100 8 10 LEU HD1 H 0.808 0.020 . 101 8 10 LEU HD2 H 0.750 0.020 . 102 8 10 LEU HG H 1.628 0.020 1 103 8 10 LEU C C 178.815 0.300 1 104 8 10 LEU CA C 58.772 0.300 1 105 8 10 LEU CB C 42.111 0.300 1 106 8 10 LEU CD1 C 25.686 0.300 2 107 8 10 LEU CD2 C 24.538 0.300 2 108 8 10 LEU CG C 26.749 0.300 1 109 8 10 LEU N N 125.756 0.300 1 110 9 11 LEU H H 8.090 0.020 1 111 9 11 LEU HA H 4.366 0.020 1 112 9 11 LEU HB2 H 1.922 0.020 2 113 9 11 LEU HB3 H 1.540 0.020 2 114 9 11 LEU HD1 H 0.860 0.020 . 115 9 11 LEU HD2 H 0.826 0.020 . 116 9 11 LEU HG H 1.808 0.020 1 117 9 11 LEU C C 178.025 0.300 1 118 9 11 LEU CA C 55.598 0.300 1 119 9 11 LEU CB C 40.861 0.300 1 120 9 11 LEU N N 116.128 0.300 1 121 10 12 THR H H 7.780 0.020 1 122 10 12 THR HA H 4.255 0.020 1 123 10 12 THR HB H 4.443 0.020 1 124 10 12 THR HG2 H 1.419 0.020 . 125 10 12 THR C C 175.461 0.300 1 126 10 12 THR CA C 65.399 0.300 1 127 10 12 THR CB C 69.289 0.300 1 128 10 12 THR CG2 C 21.702 0.300 1 129 10 12 THR N N 113.498 0.300 1 130 11 13 THR H H 7.269 0.020 1 131 11 13 THR HA H 4.604 0.020 1 132 11 13 THR HB H 4.358 0.020 1 133 11 13 THR HG2 H 1.224 0.020 . 134 11 13 THR C C 174.034 0.300 1 135 11 13 THR CA C 61.883 0.300 1 136 11 13 THR CB C 70.929 0.300 1 137 11 13 THR CG2 C 21.436 0.300 1 138 11 13 THR N N 107.390 0.300 1 139 12 14 GLN H H 8.155 0.020 1 140 12 14 GLN HA H 5.003 0.020 1 141 12 14 GLN HB2 H 2.065 0.020 2 142 12 14 GLN HB3 H 1.876 0.020 2 143 12 14 GLN HE21 H 6.922 0.020 2 144 12 14 GLN HE22 H 6.668 0.020 2 145 12 14 GLN HG2 H 2.359 0.020 2 146 12 14 GLN HG3 H 2.237 0.020 2 147 12 14 GLN C C 173.565 0.300 1 148 12 14 GLN CA C 53.825 0.300 1 149 12 14 GLN CB C 30.865 0.300 1 150 12 14 GLN N N 122.840 0.300 1 151 12 14 GLN NE2 N 109.240 0.300 1 152 13 15 CYS H H 8.510 0.020 1 153 13 15 CYS HA H 3.615 0.020 1 154 13 15 CYS HB2 H 3.277 0.020 2 155 13 15 CYS HB3 H 2.650 0.020 2 156 13 15 CYS C C 177.042 0.300 1 157 13 15 CYS CA C 63.750 0.300 1 158 13 15 CYS CB C 30.318 0.300 1 159 13 15 CYS N N 123.589 0.300 1 160 14 16 GLY H H 8.306 0.020 1 161 14 16 GLY HA2 H 3.466 0.020 . 162 14 16 GLY HA3 H 3.920 0.020 2 163 14 16 GLY C C 171.054 0.300 1 164 14 16 GLY CA C 45.984 0.300 1 165 14 16 GLY N N 129.641 0.300 1 166 15 17 VAL H H 7.014 0.020 1 167 15 17 VAL HA H 3.168 0.020 1 168 15 17 VAL HB H 0.544 0.020 1 169 15 17 VAL HG1 H 0.802 0.020 . 170 15 17 VAL HG2 H 0.491 0.020 . 171 15 17 VAL C C 176.129 0.300 1 172 15 17 VAL CA C 64.995 0.300 1 173 15 17 VAL CB C 31.568 0.300 1 174 15 17 VAL CG1 C 25.155 0.300 2 175 15 17 VAL CG2 C 20.905 0.300 2 176 15 17 VAL N N 118.868 0.300 1 177 16 18 ILE H H 8.120 0.020 1 178 16 18 ILE HA H 3.937 0.020 1 179 16 18 ILE HB H 1.577 0.020 1 180 16 18 ILE HD1 H 0.782 0.020 . 181 16 18 ILE HG12 H 1.731 0.020 2 182 16 18 ILE HG13 H 0.922 0.020 2 183 16 18 ILE HG2 H 0.611 0.020 . 184 16 18 ILE C C 176.603 0.300 1 185 16 18 ILE CA C 61.261 0.300 1 186 16 18 ILE CB C 37.972 0.300 1 187 16 18 ILE CD1 C 12.936 0.300 1 188 16 18 ILE CG1 C 28.077 0.300 1 189 16 18 ILE CG2 C 17.186 0.300 1 190 16 18 ILE N N 129.409 0.300 1 191 17 19 SER H H 8.150 0.020 1 192 17 19 SER HA H 4.561 0.020 1 193 17 19 SER HB2 H 4.229 0.020 2 194 17 19 SER HB3 H 4.180 0.020 2 195 17 19 SER C C 176.497 0.300 1 196 17 19 SER CA C 57.589 0.300 1 197 17 19 SER CB C 63.509 0.300 1 198 17 19 SER N N 124.135 0.300 1 199 18 20 GLU H H 9.367 0.020 1 200 18 20 GLU HA H 4.048 0.020 1 201 18 20 GLU HB2 H 1.911 0.020 2 202 18 20 GLU HB3 H 1.911 0.020 2 203 18 20 GLU HG2 H 2.163 0.020 2 204 18 20 GLU HG3 H 2.163 0.020 2 205 18 20 GLU C C 176.884 0.300 1 206 18 20 GLU CA C 58.492 0.300 1 207 18 20 GLU CB C 29.303 0.300 1 208 18 20 GLU CG C 35.780 0.300 1 209 18 20 GLU N N 129.205 0.300 1 210 19 21 HIS H H 8.337 0.020 1 211 19 21 HIS HA H 4.650 0.020 1 212 19 21 HIS HB2 H 3.261 0.020 2 213 19 21 HIS HB3 H 3.160 0.020 2 214 19 21 HIS HD2 H 7.139 0.020 1 215 19 21 HIS HE1 H 7.979 0.020 1 216 19 21 HIS CA C 58.119 0.300 1 217 19 21 HIS CB C 30.865 0.300 1 218 19 21 HIS CD2 C 119.440 0.300 1 219 19 21 HIS CE1 C 138.413 0.300 1 220 19 21 HIS N N 117.018 0.300 1 221 19 21 HIS ND1 N 227.972 0.300 1 222 19 21 HIS NE2 N 176.313 0.300 1 223 20 22 THR C C 175.216 0.300 1 224 20 22 THR CA C 61.510 0.300 1 225 20 22 THR CB C 70.304 0.300 1 226 21 23 LYS H H 7.965 0.020 1 227 21 23 LYS HA H 3.956 0.020 1 228 21 23 LYS HB2 H 2.155 0.020 2 229 21 23 LYS HB3 H 2.021 0.020 2 230 21 23 LYS HD2 H 1.668 0.020 2 231 21 23 LYS HD3 H 1.578 0.020 2 232 21 23 LYS HE2 H 3.004 0.020 2 233 21 23 LYS HE3 H 2.987 0.020 2 234 21 23 LYS HG2 H 1.383 0.020 2 235 21 23 LYS HG3 H 1.294 0.020 2 236 21 23 LYS C C 175.128 0.300 1 237 21 23 LYS CA C 57.216 0.300 1 238 21 23 LYS CB C 29.147 0.300 1 239 21 23 LYS CD C 28.874 0.300 1 240 21 23 LYS CE C 42.420 0.300 1 241 21 23 LYS CG C 24.624 0.300 1 242 21 23 LYS N N 115.951 0.300 1 243 22 24 LYS H H 7.733 0.020 1 244 22 24 LYS HA H 4.605 0.020 1 245 22 24 LYS HB2 H 1.843 0.020 2 246 22 24 LYS HB3 H 1.651 0.020 2 247 22 24 LYS HD2 H 1.706 0.020 2 248 22 24 LYS HD3 H 1.685 0.020 2 249 22 24 LYS HE2 H 3.047 0.020 2 250 22 24 LYS HE3 H 3.032 0.020 2 251 22 24 LYS HG2 H 1.475 0.020 2 252 22 24 LYS HG3 H 1.398 0.020 2 253 22 24 LYS C C 176.849 0.300 1 254 22 24 LYS CA C 54.851 0.300 1 255 22 24 LYS CB C 34.379 0.300 1 256 22 24 LYS CD C 28.874 0.300 1 257 22 24 LYS CE C 42.154 0.300 1 258 22 24 LYS CG C 25.155 0.300 1 259 22 24 LYS N N 118.404 0.300 1 260 23 25 MET H H 8.584 0.020 1 261 23 25 MET HA H 3.883 0.020 1 262 23 25 MET HB2 H 1.797 0.020 2 263 23 25 MET HB3 H 1.772 0.020 2 264 23 25 MET HE H 1.865 0.020 . 265 23 25 MET HG2 H 2.650 0.020 2 266 23 25 MET HG3 H 2.535 0.020 2 267 23 25 MET C C 176.304 0.300 1 268 23 25 MET CA C 56.500 0.300 1 269 23 25 MET CB C 35.082 0.300 1 270 23 25 MET CE C 17.150 0.300 1 271 23 25 MET CG C 31.795 0.300 1 272 23 25 MET N N 122.704 0.300 1 273 24 26 CYS H H 8.460 0.020 1 274 24 26 CYS HA H 4.234 0.020 1 275 24 26 CYS HB2 H 3.085 0.020 2 276 24 26 CYS HB3 H 2.769 0.020 2 277 24 26 CYS C C 177.709 0.300 1 278 24 26 CYS CA C 61.261 0.300 1 279 24 26 CYS CB C 29.693 0.300 1 280 24 26 CYS N N 127.119 0.300 1 281 25 27 THR H H 8.490 0.020 1 282 25 27 THR HA H 4.558 0.020 1 283 25 27 THR HB H 4.647 0.020 1 284 25 27 THR HG2 H 1.290 0.020 . 285 25 27 THR C C 175.514 0.300 1 286 25 27 THR CA C 61.448 0.300 1 287 25 27 THR CB C 68.664 0.300 1 288 25 27 THR CG2 C 21.702 0.300 1 289 25 27 THR N N 120.727 0.300 1 290 26 28 ARG H H 8.527 0.020 1 291 26 28 ARG HA H 4.500 0.020 1 292 26 28 ARG HB2 H 2.380 0.020 2 293 26 28 ARG HB3 H 2.261 0.020 2 294 26 28 ARG HD2 H 3.589 0.020 2 295 26 28 ARG HD3 H 3.553 0.020 2 296 26 28 ARG HG2 H 2.085 0.020 2 297 26 28 ARG HG3 H 1.807 0.020 2 298 26 28 ARG C C 174.408 0.300 1 299 26 28 ARG CA C 57.216 0.300 1 300 26 28 ARG CB C 30.474 0.300 1 301 26 28 ARG CD C 43.483 0.300 1 302 26 28 ARG CG C 29.405 0.300 1 303 26 28 ARG N N 123.903 0.300 1 304 27 29 SER H H 8.206 0.020 1 305 27 29 SER HA H 4.706 0.020 1 306 27 29 SER HB2 H 4.118 0.020 2 307 27 29 SER HB3 H 4.118 0.020 2 308 27 29 SER C C 174.057 0.300 1 309 27 29 SER CA C 58.585 0.300 1 310 27 29 SER CB C 64.993 0.300 1 311 27 29 SER N N 114.833 0.300 1 312 28 30 LEU H H 7.921 0.020 1 313 28 30 LEU HA H 3.833 0.020 1 314 28 30 LEU HB2 H 1.677 0.020 2 315 28 30 LEU HB3 H 1.590 0.020 2 316 28 30 LEU HD1 H 0.896 0.020 . 317 28 30 LEU HD2 H 0.636 0.020 . 318 28 30 LEU HG H 1.537 0.020 1 319 28 30 LEU C C 177.042 0.300 1 320 28 30 LEU CA C 57.247 0.300 1 321 28 30 LEU CB C 40.861 0.300 1 322 28 30 LEU CD1 C 24.889 0.300 2 323 28 30 LEU CD2 C 23.030 0.300 2 324 28 30 LEU CG C 27.811 0.300 1 325 28 30 LEU N N 116.632 0.300 1 326 29 31 ARG H H 7.738 0.020 1 327 29 31 ARG HA H 4.379 0.020 1 328 29 31 ARG HB2 H 2.061 0.020 2 329 29 31 ARG HB3 H 1.487 0.020 2 330 29 31 ARG HD2 H 3.203 0.020 2 331 29 31 ARG HD3 H 3.180 0.020 2 332 29 31 ARG HG2 H 1.635 0.020 2 333 29 31 ARG HG3 H 1.557 0.020 2 334 29 31 ARG C C 174.338 0.300 1 335 29 31 ARG CA C 54.260 0.300 1 336 29 31 ARG CB C 28.834 0.300 1 337 29 31 ARG CD C 42.686 0.300 1 338 29 31 ARG CG C 27.280 0.300 1 339 29 31 ARG N N 115.665 0.300 1 340 30 32 CYS H H 7.422 0.020 1 341 30 32 CYS HA H 4.435 0.020 1 342 30 32 CYS HB2 H 3.464 0.020 2 343 30 32 CYS HB3 H 3.083 0.020 2 344 30 32 CYS CA C 56.688 0.300 1 345 30 32 CYS CB C 30.552 0.300 1 346 30 32 CYS N N 127.324 0.300 1 347 31 33 PRO HA H 4.768 0.020 1 348 31 33 PRO HB2 H 2.242 0.020 2 349 31 33 PRO HB3 H 2.099 0.020 2 350 31 33 PRO HD2 H 3.938 0.020 2 351 31 33 PRO HD3 H 3.844 0.020 2 352 31 33 PRO HG2 H 2.149 0.020 2 353 31 33 PRO HG3 H 1.954 0.020 2 354 31 33 PRO C C 177.534 0.300 1 355 31 33 PRO CA C 63.128 0.300 1 356 31 33 PRO CB C 31.802 0.300 1 357 31 33 PRO CD C 51.185 0.300 1 358 32 34 GLN H H 8.753 0.020 1 359 32 34 GLN HA H 4.046 0.020 1 360 32 34 GLN HB2 H 1.529 0.020 2 361 32 34 GLN HB3 H 1.425 0.020 2 362 32 34 GLN HE21 H 7.482 0.020 2 363 32 34 GLN HE22 H 6.890 0.020 2 364 32 34 GLN HG2 H 2.088 0.020 2 365 32 34 GLN HG3 H 1.999 0.020 2 366 32 34 GLN C C 175.128 0.300 1 367 32 34 GLN CA C 57.092 0.300 1 368 32 34 GLN CB C 29.771 0.300 1 369 32 34 GLN CG C 33.920 0.300 1 370 32 34 GLN N N 123.753 0.300 1 371 32 34 GLN NE2 N 112.368 0.300 1 372 33 35 HIS H H 7.573 0.020 1 373 33 35 HIS HA H 5.301 0.020 1 374 33 35 HIS HB2 H 3.086 0.020 2 375 33 35 HIS HB3 H 2.867 0.020 2 376 33 35 HIS HD2 H 7.272 0.020 1 377 33 35 HIS HE1 H 7.912 0.020 1 378 33 35 HIS C C 174.057 0.300 1 379 33 35 HIS CA C 55.816 0.300 1 380 33 35 HIS CB C 33.832 0.300 1 381 33 35 HIS CD2 C 120.022 0.300 1 382 33 35 HIS CE1 C 137.866 0.300 1 383 33 35 HIS N N 119.249 0.300 1 384 33 35 HIS ND1 N 223.202 0.300 1 385 33 35 HIS NE2 N 170.003 0.300 1 386 34 36 THR H H 9.036 0.020 1 387 34 36 THR HA H 4.686 0.020 1 388 34 36 THR HB H 4.878 0.020 1 389 34 36 THR HG2 H 1.334 0.020 . 390 34 36 THR C C 176.322 0.300 1 391 34 36 THR CA C 59.767 0.300 1 392 34 36 THR CB C 71.788 0.300 1 393 34 36 THR CG2 C 21.702 0.300 1 394 34 36 THR N N 112.053 0.300 1 395 35 37 ASP H H 9.082 0.020 1 396 35 37 ASP HA H 4.523 0.020 1 397 35 37 ASP HB2 H 2.768 0.020 2 398 35 37 ASP HB3 H 2.742 0.020 2 399 35 37 ASP C C 179.272 0.300 1 400 35 37 ASP CA C 57.496 0.300 1 401 35 37 ASP CB C 39.533 0.300 1 402 35 37 ASP N N 121.600 0.300 1 403 36 38 GLU H H 8.611 0.020 1 404 36 38 GLU HA H 4.197 0.020 1 405 36 38 GLU HB2 H 2.158 0.020 2 406 36 38 GLU HB3 H 1.976 0.020 2 407 36 38 GLU HG2 H 2.372 0.020 2 408 36 38 GLU HG3 H 2.311 0.020 2 409 36 38 GLU C C 179.184 0.300 1 410 36 38 GLU CA C 59.736 0.300 1 411 36 38 GLU CB C 29.068 0.300 1 412 36 38 GLU CG C 33.920 0.300 1 413 36 38 GLU N N 122.485 0.300 1 414 37 39 GLN H H 8.076 0.020 1 415 37 39 GLN HA H 4.074 0.020 1 416 37 39 GLN HB2 H 2.436 0.020 2 417 37 39 GLN HB3 H 2.302 0.020 2 418 37 39 GLN HE21 H 7.735 0.020 2 419 37 39 GLN HE22 H 7.177 0.020 2 420 37 39 GLN HG2 H 2.617 0.020 2 421 37 39 GLN HG3 H 2.519 0.020 2 422 37 39 GLN C C 175.157 0.300 1 423 37 39 GLN CA C 59.332 0.300 1 424 37 39 GLN CB C 29.248 0.300 1 425 37 39 GLN N N 121.232 0.300 1 426 37 39 GLN NE2 N 112.684 0.300 1 427 38 40 ARG H H 8.356 0.020 1 428 38 40 ARG HA H 4.385 0.020 1 429 38 40 ARG HB2 H 2.424 0.020 2 430 38 40 ARG HB3 H 2.424 0.020 2 431 38 40 ARG HD2 H 3.261 0.020 2 432 38 40 ARG HD3 H 3.261 0.020 2 433 38 40 ARG HE H 7.602 0.020 1 434 38 40 ARG HG2 H 1.917 0.020 2 435 38 40 ARG HG3 H 1.890 0.020 2 436 38 40 ARG C C 179.465 0.300 1 437 38 40 ARG CA C 60.483 0.300 1 438 38 40 ARG CB C 30.048 0.300 1 439 38 40 ARG CZ C 159.318 0.300 1 440 38 40 ARG N N 121.658 0.300 1 441 38 40 ARG NE N 110.252 0.300 1 442 39 41 ARG H H 8.619 0.020 1 443 39 41 ARG HA H 4.141 0.020 1 444 39 41 ARG HB2 H 2.054 0.020 2 445 39 41 ARG HB3 H 2.054 0.020 2 446 39 41 ARG HD2 H 3.286 0.020 2 447 39 41 ARG HD3 H 3.263 0.020 2 448 39 41 ARG HE H 7.694 0.020 1 449 39 41 ARG HG2 H 1.801 0.020 2 450 39 41 ARG HG3 H 1.596 0.020 2 451 39 41 ARG C C 178.675 0.300 1 452 39 41 ARG CA C 60.048 0.300 1 453 39 41 ARG CB C 30.084 0.300 1 454 39 41 ARG CD C 43.217 0.300 1 455 39 41 ARG CG C 27.811 0.300 1 456 39 41 ARG N N 123.685 0.300 1 457 40 42 THR H H 8.443 0.020 1 458 40 42 THR HA H 3.883 0.020 1 459 40 42 THR HB H 4.296 0.020 1 460 40 42 THR HG2 H 1.258 0.020 . 461 40 42 THR C C 177.147 0.300 1 462 40 42 THR CA C 66.893 0.300 1 463 40 42 THR CB C 68.430 0.300 1 464 40 42 THR CG2 C 21.702 0.300 1 465 40 42 THR N N 116.700 0.300 1 466 41 43 VAL H H 7.945 0.020 1 467 41 43 VAL HA H 4.208 0.020 1 468 41 43 VAL HB H 2.197 0.020 1 469 41 43 VAL HG1 H 1.303 0.020 . 470 41 43 VAL HG2 H 1.172 0.020 . 471 41 43 VAL C C 176.445 0.300 1 472 41 43 VAL CA C 65.088 0.300 1 473 41 43 VAL CB C 31.177 0.300 1 474 41 43 VAL CG1 C 23.396 0.300 2 475 41 43 VAL CG2 C 20.374 0.300 2 476 41 43 VAL N N 122.036 0.300 1 477 42 44 ARG H H 7.061 0.020 1 478 42 44 ARG HA H 4.073 0.020 1 479 42 44 ARG HB2 H 1.836 0.020 2 480 42 44 ARG HB3 H 1.836 0.020 2 481 42 44 ARG HD2 H 3.364 0.020 2 482 42 44 ARG HD3 H 3.196 0.020 2 483 42 44 ARG HE H 7.327 0.020 1 484 42 44 ARG HG2 H 2.010 0.020 2 485 42 44 ARG HG3 H 2.010 0.020 2 486 42 44 ARG C C 177.797 0.300 1 487 42 44 ARG CA C 60.794 0.300 1 488 42 44 ARG CB C 28.209 0.300 1 489 42 44 ARG CZ C 158.950 0.300 1 490 42 44 ARG N N 122.881 0.300 1 491 42 44 ARG NE N 111.221 0.300 1 492 43 45 ILE H H 8.094 0.020 1 493 43 45 ILE HA H 3.737 0.020 1 494 43 45 ILE HB H 2.144 0.020 1 495 43 45 ILE HG12 H 1.072 0.020 . 496 43 45 ILE HG13 H 1.072 0.020 . 497 43 45 ILE HG2 H 0.891 0.020 . 498 43 45 ILE C C 179.011 0.300 1 499 43 45 ILE CA C 65.928 0.300 1 500 43 45 ILE CB C 31.530 0.300 1 501 43 45 ILE CG1 C 23.030 0.300 1 502 43 45 ILE CG2 C 21.171 0.300 1 503 43 45 ILE N N 121.531 0.300 1 504 44 46 TYR H H 7.997 0.020 1 505 44 46 TYR HA H 4.091 0.020 1 506 44 46 TYR HB2 H 3.044 0.020 2 507 44 46 TYR HB3 H 2.980 0.020 2 508 44 46 TYR HD1 H 6.317 0.020 3 509 44 46 TYR HD2 H 6.317 0.020 3 510 44 46 TYR HE1 H 6.500 0.020 3 511 44 46 TYR HE2 H 6.500 0.020 3 512 44 46 TYR C C 177.340 0.300 1 513 44 46 TYR CA C 61.199 0.300 1 514 44 46 TYR CB C 37.737 0.300 1 515 44 46 TYR CD1 C 132.863 0.300 3 516 44 46 TYR CD2 C 132.863 0.300 3 517 44 46 TYR CE1 C 118.238 0.300 3 518 44 46 TYR CE2 C 118.238 0.300 3 519 44 46 TYR N N 121.313 0.300 1 520 45 47 PHE H H 7.981 0.020 1 521 45 47 PHE HA H 4.453 0.020 1 522 45 47 PHE HB2 H 3.112 0.020 2 523 45 47 PHE HB3 H 2.799 0.020 2 524 45 47 PHE HD1 H 7.379 0.020 3 525 45 47 PHE HD2 H 7.379 0.020 3 526 45 47 PHE HE1 H 7.342 0.020 3 527 45 47 PHE HE2 H 7.342 0.020 3 528 45 47 PHE HZ H 7.384 0.020 1 529 45 47 PHE C C 177.393 0.300 1 530 45 47 PHE CA C 60.763 0.300 1 531 45 47 PHE CB C 40.783 0.300 1 532 45 47 PHE N N 114.383 0.300 1 533 46 48 LEU H H 8.649 0.020 1 534 46 48 LEU HA H 4.602 0.020 1 535 46 48 LEU HB2 H 2.017 0.020 2 536 46 48 LEU HB3 H 1.675 0.020 2 537 46 48 LEU HD1 H 0.951 0.020 . 538 46 48 LEU HD2 H 0.853 0.020 . 539 46 48 LEU HG H 1.575 0.020 1 540 46 48 LEU C C 178.008 0.300 1 541 46 48 LEU CA C 54.696 0.300 1 542 46 48 LEU CB C 42.423 0.300 1 543 46 48 LEU N N 117.232 0.300 1 544 47 49 GLY H H 7.884 0.020 1 545 47 49 GLY HA2 H 4.070 0.020 . 546 47 49 GLY HA3 H 4.370 0.020 2 547 47 49 GLY CA C 44.771 0.300 1 548 47 49 GLY N N 110.688 0.300 1 549 48 50 PRO HA H 4.392 0.020 1 550 48 50 PRO HB2 H 2.335 0.020 2 551 48 50 PRO HB3 H 2.335 0.020 2 552 48 50 PRO HD2 H 3.761 0.020 2 553 48 50 PRO HD3 H 3.656 0.020 2 554 48 50 PRO HG2 H 2.061 0.020 2 555 48 50 PRO HG3 H 2.035 0.020 2 556 48 50 PRO C C 177.762 0.300 1 557 48 50 PRO CA C 64.279 0.300 1 558 48 50 PRO CB C 31.802 0.300 1 559 48 50 PRO CD C 49.592 0.300 1 560 48 50 PRO CG C 27.280 0.300 1 561 49 51 SER H H 8.353 0.020 1 562 49 51 SER HA H 4.454 0.020 1 563 49 51 SER HB2 H 3.935 0.020 2 564 49 51 SER HB3 H 3.935 0.020 2 565 49 51 SER C C 174.302 0.300 1 566 49 51 SER CA C 58.554 0.300 1 567 49 51 SER CB C 63.041 0.300 1 568 49 51 SER N N 114.683 0.300 1 569 50 52 ALA H H 7.808 0.020 1 570 50 52 ALA HA H 4.176 0.020 1 571 50 52 ALA HB H 1.346 0.020 . 572 50 52 ALA C C 177.200 0.300 1 573 50 52 ALA CA C 52.922 0.300 1 574 50 52 ALA CB C 19.931 0.300 1 575 50 52 ALA N N 125.443 0.300 1 576 51 53 VAL H H 7.815 0.020 1 577 51 53 VAL HA H 4.225 0.020 1 578 51 53 VAL HB H 2.110 0.020 1 579 51 53 VAL HG1 H 0.923 0.020 . 580 51 53 VAL HG2 H 0.923 0.020 . 581 51 53 VAL C C 175.620 0.300 1 582 51 53 VAL CA C 61.323 0.300 1 583 51 53 VAL CB C 32.973 0.300 1 584 51 53 VAL CG1 C 20.905 0.300 2 585 51 53 VAL CG2 C 20.905 0.300 2 586 51 53 VAL N N 118.118 0.300 1 587 52 54 LEU H H 8.315 0.020 1 588 52 54 LEU HA H 4.659 0.020 1 589 52 54 LEU HB2 H 1.624 0.020 2 590 52 54 LEU HB3 H 1.624 0.020 2 591 52 54 LEU HD1 H 0.964 0.020 . 592 52 54 LEU HD2 H 0.922 0.020 . 593 52 54 LEU HG H 1.713 0.020 1 594 52 54 LEU CA C 52.768 0.300 1 595 52 54 LEU CB C 41.408 0.300 1 596 52 54 LEU CD1 C 23.561 0.300 2 597 52 54 LEU CD2 C 25.421 0.300 2 598 52 54 LEU CG C 27.280 0.300 1 599 52 54 LEU N N 127.596 0.300 1 600 53 55 PRO HA H 4.452 0.020 1 601 53 55 PRO HB2 H 2.333 0.020 2 602 53 55 PRO HB3 H 1.922 0.020 2 603 53 55 PRO HD2 H 3.879 0.020 2 604 53 55 PRO HD3 H 3.640 0.020 2 605 53 55 PRO HG2 H 2.066 0.020 2 606 53 55 PRO HG3 H 2.035 0.020 2 607 53 55 PRO C C 176.515 0.300 1 608 53 55 PRO CA C 63.035 0.300 1 609 53 55 PRO CB C 31.958 0.300 1 610 53 55 PRO CD C 50.389 0.300 1 611 53 55 PRO CG C 27.280 0.300 1 612 54 56 GLU H H 8.505 0.020 1 613 54 56 GLU HA H 4.301 0.020 1 614 54 56 GLU HB2 H 2.050 0.020 2 615 54 56 GLU HB3 H 1.949 0.020 2 616 54 56 GLU HG2 H 2.328 0.020 2 617 54 56 GLU HG3 H 2.247 0.020 2 618 54 56 GLU C C 176.585 0.300 1 619 54 56 GLU CA C 56.500 0.300 1 620 54 56 GLU CB C 30.240 0.300 1 621 54 56 GLU CG C 36.311 0.300 1 622 54 56 GLU N N 121.518 0.300 1 623 55 57 VAL H H 8.203 0.020 1 624 55 57 VAL HA H 4.150 0.020 1 625 55 57 VAL HB H 2.095 0.020 1 626 55 57 VAL HG1 H 0.951 0.020 . 627 55 57 VAL HG2 H 0.951 0.020 . 628 55 57 VAL C C 176.129 0.300 1 629 55 57 VAL CA C 62.101 0.300 1 630 55 57 VAL CB C 32.895 0.300 1 631 55 57 VAL CG1 C 20.905 0.300 2 632 55 57 VAL CG2 C 20.905 0.300 2 633 55 57 VAL N N 121.722 0.300 1 634 56 58 GLU H H 8.559 0.020 1 635 56 58 GLU HA H 4.327 0.020 1 636 56 58 GLU HB2 H 2.090 0.020 2 637 56 58 GLU HB3 H 1.984 0.020 2 638 56 58 GLU HG2 H 2.308 0.020 2 639 56 58 GLU HG3 H 2.275 0.020 2 640 56 58 GLU C C 176.498 0.300 1 641 56 58 GLU CA C 56.718 0.300 1 642 56 58 GLU CB C 30.240 0.300 1 643 56 58 GLU CG C 36.311 0.300 1 644 56 58 GLU N N 125.511 0.300 1 645 57 59 SER H H 8.412 0.020 1 646 57 59 SER HA H 4.500 0.020 1 647 57 59 SER HB2 H 3.920 0.020 2 648 57 59 SER HB3 H 3.876 0.020 2 649 57 59 SER C C 174.583 0.300 1 650 57 59 SER CA C 58.367 0.300 1 651 57 59 SER CB C 63.666 0.300 1 652 57 59 SER N N 117.954 0.300 1 653 58 60 SER H H 8.446 0.020 1 654 58 60 SER HA H 4.501 0.020 1 655 58 60 SER HB2 H 3.888 0.020 2 656 58 60 SER HB3 H 3.936 0.020 2 657 58 60 SER C C 174.531 0.300 1 658 58 60 SER CA C 58.336 0.300 1 659 58 60 SER CB C 63.569 0.300 1 660 58 60 SER N N 118.881 0.300 1 661 59 61 LEU H H 8.277 0.020 1 662 59 61 LEU HA H 4.383 0.020 1 663 59 61 LEU HB2 H 1.663 0.020 2 664 59 61 LEU HB3 H 1.611 0.020 2 665 59 61 LEU HD1 H 0.940 0.020 . 666 59 61 LEU HD2 H 0.889 0.020 . 667 59 61 LEU HG H 1.640 0.020 1 668 59 61 LEU C C 177.112 0.300 1 669 59 61 LEU CA C 55.256 0.300 1 670 59 61 LEU CB C 42.267 0.300 1 671 59 61 LEU CD1 C 25.686 0.300 2 672 59 61 LEU CD2 C 24.358 0.300 2 673 59 61 LEU CG C 26.749 0.300 1 674 59 61 LEU N N 124.516 0.300 1 675 60 62 ASP H H 8.282 0.020 1 676 60 62 ASP HA H 4.615 0.020 1 677 60 62 ASP HB2 H 2.743 0.020 2 678 60 62 ASP HB3 H 2.622 0.020 2 679 60 62 ASP C C 176.006 0.300 1 680 60 62 ASP CA C 54.291 0.300 1 681 60 62 ASP CB C 40.939 0.300 1 682 60 62 ASP N N 121.286 0.300 1 683 61 63 ASN H H 8.308 0.020 1 684 61 63 ASN HA H 4.705 0.020 1 685 61 63 ASN HB2 H 2.845 0.020 2 686 61 63 ASN HB3 H 2.768 0.020 2 687 61 63 ASN HD21 H 7.632 0.020 2 688 61 63 ASN HD22 H 6.918 0.020 2 689 61 63 ASN C C 180.050 0.300 1 690 61 63 ASN CA C 53.482 0.300 1 691 61 63 ASN CB C 38.987 0.300 1 692 61 63 ASN N N 119.808 0.300 1 693 61 63 ASN ND2 N 113.636 0.300 1 694 62 64 ASP H H 8.391 0.020 1 695 62 64 ASP HA H 4.628 0.020 1 696 62 64 ASP HB2 H 2.677 0.020 2 697 62 64 ASP HB3 H 2.677 0.020 2 698 62 64 ASP C C 176.339 0.300 1 699 62 64 ASP CA C 54.602 0.300 1 700 62 64 ASP CB C 40.939 0.300 1 701 62 64 ASP N N 121.395 0.300 1 702 63 65 SER H H 8.131 0.020 1 703 63 65 SER HA H 4.419 0.020 1 704 63 65 SER HB2 H 3.825 0.020 2 705 63 65 SER HB3 H 3.825 0.020 2 706 63 65 SER C C 174.267 0.300 1 707 63 65 SER CA C 58.461 0.300 1 708 63 65 SER CB C 63.588 0.300 1 709 63 65 SER N N 116.142 0.300 1 710 64 66 PHE H H 8.179 0.020 1 711 64 66 PHE HA H 4.622 0.020 1 712 64 66 PHE HB2 H 3.170 0.020 2 713 64 66 PHE HB3 H 3.053 0.020 2 714 64 66 PHE HD1 H 7.258 0.020 3 715 64 66 PHE HD2 H 7.258 0.020 3 716 64 66 PHE HE1 H 7.357 0.020 3 717 64 66 PHE HE2 H 7.357 0.020 3 718 64 66 PHE HZ H 7.302 0.020 1 719 64 66 PHE C C 175.216 0.300 1 720 64 66 PHE CA C 57.745 0.300 1 721 64 66 PHE CB C 39.377 0.300 1 722 64 66 PHE N N 122.731 0.300 1 723 65 67 ASP H H 8.312 0.020 1 724 65 67 ASP HA H 4.604 0.020 1 725 65 67 ASP HB2 H 2.734 0.020 2 726 65 67 ASP HB3 H 2.604 0.020 2 727 65 67 ASP C C 176.162 0.300 1 728 65 67 ASP CA C 54.105 0.300 1 729 65 67 ASP CB C 41.017 0.300 1 730 65 67 ASP N N 122.663 0.300 1 731 66 68 MET H H 8.375 0.020 1 732 66 68 MET HA H 4.535 0.020 1 733 66 68 MET HB2 H 2.183 0.020 2 734 66 68 MET HB3 H 2.051 0.020 2 735 66 68 MET HE H 2.115 0.020 . 736 66 68 MET HG2 H 2.650 0.020 2 737 66 68 MET HG3 H 2.565 0.020 2 738 66 68 MET C C 176.726 0.300 1 739 66 68 MET CA C 55.629 0.300 1 740 66 68 MET CB C 32.661 0.300 1 741 66 68 MET CE C 17.046 0.300 1 742 66 68 MET CG C 32.061 0.300 1 743 66 68 MET N N 122.431 0.300 1 744 67 69 THR H H 8.292 0.020 1 745 67 69 THR HA H 4.265 0.020 1 746 67 69 THR HB H 4.277 0.020 1 747 67 69 THR HG2 H 1.246 0.020 . 748 67 69 THR C C 174.742 0.300 1 749 67 69 THR CA C 62.848 0.300 1 750 67 69 THR CB C 69.523 0.300 1 751 67 69 THR CG2 C 21.436 0.300 1 752 67 69 THR N N 115.515 0.300 1 753 68 70 ASP H H 8.360 0.020 1 754 68 70 ASP HA H 4.659 0.020 1 755 68 70 ASP HB2 H 2.788 0.020 2 756 68 70 ASP HB3 H 2.671 0.020 2 757 68 70 ASP C C 176.884 0.300 1 758 68 70 ASP CA C 54.602 0.300 1 759 68 70 ASP CB C 40.939 0.300 1 760 68 70 ASP N N 123.290 0.300 1 761 69 71 SER H H 8.334 0.020 1 762 69 71 SER HA H 4.339 0.020 1 763 69 71 SER HB2 H 3.961 0.020 2 764 69 71 SER HB3 H 3.917 0.020 2 765 69 71 SER C C 175.542 0.300 1 766 69 71 SER CA C 59.705 0.300 1 767 69 71 SER CB C 63.197 0.300 1 768 69 71 SER N N 117.586 0.300 1 769 70 72 GLN H H 8.365 0.020 1 770 70 72 GLN HA H 4.237 0.020 1 771 70 72 GLN HB2 H 2.171 0.020 2 772 70 72 GLN HB3 H 2.089 0.020 2 773 70 72 GLN HE21 H 7.596 0.020 2 774 70 72 GLN HE22 H 6.880 0.020 2 775 70 72 GLN HG2 H 2.432 0.020 2 776 70 72 GLN HG3 H 2.394 0.020 2 777 70 72 GLN C C 176.638 0.300 1 778 70 72 GLN CA C 56.749 0.300 1 779 70 72 GLN CB C 28.912 0.300 1 780 70 72 GLN CG C 33.920 0.300 1 781 70 72 GLN N N 122.186 0.300 1 782 70 72 GLN NE2 N 113.328 0.300 1 783 71 73 ALA H H 8.085 0.020 1 784 71 73 ALA HA H 4.245 0.020 1 785 71 73 ALA HB H 1.440 0.020 . 786 71 73 ALA C C 178.341 0.300 1 787 71 73 ALA CA C 53.327 0.300 1 788 71 73 ALA CB C 18.838 0.300 1 789 71 73 ALA N N 124.148 0.300 1 790 72 74 LEU H H 7.977 0.020 1 791 72 74 LEU HA H 4.263 0.020 1 792 72 74 LEU HB2 H 1.719 0.020 2 793 72 74 LEU HB3 H 1.655 0.020 2 794 72 74 LEU HD1 H 0.931 0.020 . 795 72 74 LEU HD2 H 0.880 0.020 . 796 72 74 LEU HG H 1.646 0.020 1 797 72 74 LEU C C 177.955 0.300 1 798 72 74 LEU CA C 56.034 0.300 1 799 72 74 LEU CB C 42.033 0.300 1 800 72 74 LEU N N 120.591 0.300 1 801 73 75 ILE H H 7.944 0.020 1 802 73 75 ILE HA H 4.074 0.020 1 803 73 75 ILE HB H 1.925 0.020 1 804 73 75 ILE HD1 H 0.863 0.020 . 805 73 75 ILE HG12 H 1.549 0.020 2 806 73 75 ILE HG13 H 1.223 0.020 2 807 73 75 ILE HG2 H 0.933 0.020 . 808 73 75 ILE C C 176.901 0.300 1 809 73 75 ILE CA C 62.039 0.300 1 810 73 75 ILE CB C 38.284 0.300 1 811 73 75 ILE CD1 C 12.936 0.300 1 812 73 75 ILE CG1 C 27.811 0.300 1 813 73 75 ILE CG2 C 17.452 0.300 1 814 73 75 ILE N N 120.782 0.300 1 815 74 76 SER H H 8.211 0.020 1 816 74 76 SER HA H 4.421 0.020 1 817 74 76 SER HB2 H 3.913 0.020 2 818 74 76 SER HB3 H 3.913 0.020 2 819 74 76 SER C C 174.864 0.300 1 820 74 76 SER CA C 59.052 0.300 1 821 74 76 SER CB C 63.353 0.300 1 822 74 76 SER N N 118.799 0.300 1 823 75 77 ARG H H 8.118 0.020 1 824 75 77 ARG HA H 4.300 0.020 1 825 75 77 ARG HB2 H 1.898 0.020 2 826 75 77 ARG HB3 H 1.795 0.020 2 827 75 77 ARG HD2 H 3.134 0.020 2 828 75 77 ARG HD3 H 3.134 0.020 2 829 75 77 ARG HG2 H 1.653 0.020 2 830 75 77 ARG HG3 H 1.601 0.020 2 831 75 77 ARG C C 176.410 0.300 1 832 75 77 ARG CA C 56.469 0.300 1 833 75 77 ARG CB C 30.630 0.300 1 834 75 77 ARG CD C 43.217 0.300 1 835 75 77 ARG CG C 27.014 0.300 1 836 75 77 ARG N N 122.976 0.300 1 837 76 78 LEU H H 8.053 0.020 1 838 76 78 LEU HA H 4.295 0.020 1 839 76 78 LEU HB2 H 1.664 0.020 2 840 76 78 LEU HB3 H 1.489 0.020 2 841 76 78 LEU HD1 H 0.919 0.020 . 842 76 78 LEU HD2 H 0.864 0.020 . 843 76 78 LEU HG H 1.601 0.020 1 844 76 78 LEU C C 177.253 0.300 1 845 76 78 LEU CA C 55.474 0.300 1 846 76 78 LEU CB C 42.111 0.300 1 847 76 78 LEU CD1 C 24.624 0.300 2 848 76 78 LEU CD2 C 23.561 0.300 2 849 76 78 LEU CG C 27.014 0.300 1 850 76 78 LEU N N 122.554 0.300 1 851 77 79 GLN H H 8.123 0.020 1 852 77 79 GLN HA H 4.306 0.020 1 853 77 79 GLN HB2 H 2.037 0.020 2 854 77 79 GLN HB3 H 1.957 0.020 2 855 77 79 GLN HE21 H 7.532 0.020 2 856 77 79 GLN HE22 H 6.840 0.020 2 857 77 79 GLN HG2 H 2.270 0.020 2 858 77 79 GLN HG3 H 2.270 0.020 2 859 77 79 GLN C C 175.492 0.300 1 860 77 79 GLN CA C 55.754 0.300 1 861 77 79 GLN CB C 29.303 0.300 1 862 77 79 GLN CG C 33.655 0.300 1 863 77 79 GLN N N 120.400 0.300 1 864 77 79 GLN NE2 N 113.162 0.300 1 865 78 80 TRP H H 8.168 0.020 1 866 78 80 TRP HA H 4.730 0.020 1 867 78 80 TRP HB2 H 3.336 0.020 2 868 78 80 TRP HB3 H 3.242 0.020 2 869 78 80 TRP HD1 H 7.269 0.020 1 870 78 80 TRP HE1 H 10.131 0.020 1 871 78 80 TRP HE3 H 7.654 0.020 1 872 78 80 TRP HH2 H 7.215 0.020 1 873 78 80 TRP HZ2 H 7.483 0.020 1 874 78 80 TRP HZ3 H 7.149 0.020 1 875 78 80 TRP C C 175.690 0.300 1 876 78 80 TRP CA C 57.309 0.300 1 877 78 80 TRP CB C 29.693 0.300 1 878 78 80 TRP CE3 C 120.945 0.300 1 879 78 80 TRP CH2 C 124.771 0.300 1 880 78 80 TRP CZ2 C 114.801 0.300 1 881 78 80 TRP N N 123.112 0.300 1 882 78 80 TRP NE1 N 130.152 0.300 1 883 79 81 ASP H H 8.228 0.020 1 884 79 81 ASP HA H 4.622 0.020 1 885 79 81 ASP HB2 H 2.551 0.020 2 886 79 81 ASP HB3 H 2.505 0.020 2 887 79 81 ASP C C 175.163 0.300 1 888 79 81 ASP CA C 53.949 0.300 1 889 79 81 ASP CB C 41.017 0.300 1 890 79 81 ASP N N 123.917 0.300 1 891 80 82 GLY H H 7.113 0.020 1 892 80 82 GLY HA2 H 3.571 0.020 2 893 80 82 GLY HA3 H 3.571 0.020 2 894 80 82 GLY CA C 46.140 0.300 1 895 80 82 GLY N N 115.065 0.300 1 stop_ save_