data_16127 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Solution Structure of the SAP30 zinc finger motif ; _BMRB_accession_number 16127 _BMRB_flat_file_name bmr16127.str _Entry_type original _Submission_date 2009-01-21 _Accession_date 2009-01-21 _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 Radhakrishnan Ishwar . . 2 He Yuan . . 3 Imhoff Rebecca . . 4 Sahu Anirban . . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 385 "13C chemical shifts" 297 "15N chemical shifts" 78 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2010-06-02 update BMRB 'edit assembly name' 2009-04-30 update BMRB 'complete entry citation' 2009-02-23 original author 'original release' stop_ save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full . _Citation_title 'Solution Structure of a Novel Zinc Finger Motif in the SAP30 Polypeptide of the Sin3 Corepressor Complex and its Potential Role in Nucleic Acid Recognition' _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 19223330 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 He Yuan . . 2 Imhoff Rebecca . . 3 Sahu Anirban . . 4 Radhakrishnan Ishwar . . stop_ _Journal_abbreviation 'Nucleic Acids Res.' _Journal_name_full 'Nucleic acids research' _Journal_volume 37 _Journal_issue 7 _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 2145 _Page_last 2152 _Year 2009 _Details . save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name SAP30_ZnF _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label SAP30_ZnF $SAP30_ZnF '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_SAP30_ZnF _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common SAP30_ZnF _Molecular_mass . _Mol_thiol_state 'free and other bound' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 71 _Mol_residue_sequence ; SNAGQLCCLREDGERCGRAA GNASFSKRIQKSISQKKVKI ELDKSARHLYICDYHKNLIQ SVRNRRKRKGS ; loop_ _Residue_seq_code _Residue_author_seq_code _Residue_label 1 61 SER 2 62 ASN 3 63 ALA 4 64 GLY 5 65 GLN 6 66 LEU 7 67 CYS 8 68 CYS 9 69 LEU 10 70 ARG 11 71 GLU 12 72 ASP 13 73 GLY 14 74 GLU 15 75 ARG 16 76 CYS 17 77 GLY 18 78 ARG 19 79 ALA 20 80 ALA 21 81 GLY 22 82 ASN 23 83 ALA 24 84 SER 25 85 PHE 26 86 SER 27 87 LYS 28 88 ARG 29 89 ILE 30 90 GLN 31 91 LYS 32 92 SER 33 93 ILE 34 94 SER 35 95 GLN 36 96 LYS 37 97 LYS 38 98 VAL 39 99 LYS 40 100 ILE 41 101 GLU 42 102 LEU 43 103 ASP 44 104 LYS 45 105 SER 46 106 ALA 47 107 ARG 48 108 HIS 49 109 LEU 50 110 TYR 51 111 ILE 52 112 CYS 53 113 ASP 54 114 TYR 55 115 HIS 56 116 LYS 57 117 ASN 58 118 LEU 59 119 ILE 60 120 GLN 61 121 SER 62 122 VAL 63 123 ARG 64 124 ASN 65 125 ARG 66 126 ARG 67 127 LYS 68 128 ARG 69 129 LYS 70 130 GLY 71 131 SER 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 2KDP "Solution Structure Of The Sap30 Zinc Finger Motif" 100.00 71 100.00 100.00 1.08e-41 GB EDL87168 "rCG59146, isoform CRA_a [Rattus norvegicus]" 59.15 178 97.62 97.62 5.37e-18 GB EDL87169 "rCG59146, isoform CRA_b, partial [Rattus norvegicus]" 71.83 114 100.00 100.00 4.35e-29 GB EGV91759 "Histone deacetylase complex subunit SAP30 [Cricetulus griseus]" 95.77 220 100.00 100.00 7.10e-40 GB EHB04012 "Histone deacetylase complex subunit SAP30, partial [Heterocephalus glaber]" 91.55 154 98.46 98.46 3.62e-36 GB ELW67729 "N-acetylgalactosaminyltransferase 7 [Tupaia chinensis]" 71.83 606 100.00 100.00 1.64e-24 REF XP_003504367 "PREDICTED: histone deacetylase complex subunit SAP30 isoform X1 [Cricetulus griseus]" 95.77 220 100.00 100.00 7.10e-40 REF XP_004389012 "PREDICTED: histone deacetylase complex subunit SAP30 isoform X1 [Trichechus manatus latirostris]" 97.18 182 97.10 97.10 1.12e-38 REF XP_004395295 "PREDICTED: histone deacetylase complex subunit SAP30 isoform X2 [Odobenus rosmarus divergens]" 97.18 179 98.55 98.55 1.02e-39 REF XP_004433644 "PREDICTED: histone deacetylase complex subunit SAP30 [Ceratotherium simum simum]" 97.18 181 98.55 98.55 1.36e-39 REF XP_005075210 "PREDICTED: histone deacetylase complex subunit SAP30 [Mesocricetus auratus]" 95.77 225 100.00 100.00 6.37e-40 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 Nov 18 21:04:59 2008 ; 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 $SAP30_ZnF 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_name $SAP30_ZnF 'recombinant technology' . Escherichia coli . pMCSG7 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 $SAP30_ZnF 0.56 mM '[U-95% 13C; U-95% 15N]' TRIS 20 mM '[U-13C; U-15N]' 'acetic acid' 20 mM [U-13C] DTT 2 mM [U-2H] 'Sodium Azide' 0.2 % 'natural abundance' 'zinc chloride' 0.56 mM 'natural abundance' 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 $SAP30_ZnF 0.56 mM '[U-95% 13C; U-95% 15N]' TRIS 20 mM '[U-13C; U-15N]' 'acetic acid' 20 mM [U-13C] DTT 2 mM [U-2H] 'Sodium Azide' 0.2 % 'natural abundance' 'zinc chloride' 0.56 mM 'natural abundance' H2O 90 % 'natural abundance' D2O 10 % 'natural abundance' stop_ save_ ############################ # Computer software used # ############################ save_VNMRJ _Saveframe_category software _Name VNMRJ _Version . loop_ _Vendor _Address _Electronic_address Varian . . stop_ loop_ _Task collection stop_ _Details . save_ save_Felix _Saveframe_category software _Name FELIX _Version . loop_ _Vendor _Address _Electronic_address 'Accelrys Software Inc.' . . stop_ loop_ _Task 'data analysis' 'peak picking' processing stop_ _Details . save_ save_NMRView _Saveframe_category software _Name NMRView _Version . loop_ _Vendor _Address _Electronic_address 'Johnson, One Moon Scientific' . . stop_ loop_ _Task 'chemical shift assignment' 'chemical shift calculation' 'data analysis' stop_ _Details . save_ save_TALOS _Saveframe_category software _Name TALOS _Version . loop_ _Vendor _Address _Electronic_address 'Cornilescu, Delaglio and Bax' . . stop_ loop_ _Task 'structure solution' stop_ _Details . save_ save_ARIA _Saveframe_category software _Name ARIA _Version . loop_ _Vendor _Address _Electronic_address 'Linge, O'Donoghue and Nilges' . . stop_ loop_ _Task refinement 'structure solution' stop_ _Details . save_ save_CNS _Saveframe_category software _Name CNS _Version . loop_ _Vendor _Address _Electronic_address 'Brunger, Adams, Clore, Gros, Nilges and Read' . . stop_ loop_ _Task refinement 'structure solution' stop_ _Details . save_ save_Procheck _Saveframe_category software _Name Procheck _Version . loop_ _Vendor _Address _Electronic_address 'Laskowski, MacArthur, Smith, Jones, Hutchinson, Morris, Moss and Tho' . . stop_ loop_ _Task refinement stop_ _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Varian _Model INOVA _Field_strength 600 _Details . save_ ############################# # NMR applied experiments # ############################# save_2D_1H-15N_HSQC_1 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-15N HSQC' _Sample_label $sample_1 save_ save_2D_1H-13C_HSQC_2 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-13C HSQC' _Sample_label $sample_2 save_ save_3D_CBCA(CO)NH_3 _Saveframe_category NMR_applied_experiment _Experiment_name '3D CBCA(CO)NH' _Sample_label $sample_1 save_ save_3D_HNCO_4 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCO' _Sample_label $sample_1 save_ save_3D_HNCACB_5 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCACB' _Sample_label $sample_1 save_ save_3D_H(CCO)NH_6 _Saveframe_category NMR_applied_experiment _Experiment_name '3D H(CCO)NH' _Sample_label $sample_1 save_ save_3D_HCCH-TOCSY_7 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HCCH-TOCSY' _Sample_label $sample_2 save_ save_3D_HCCH-COSY_8 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HCCH-COSY' _Sample_label $sample_2 save_ save_3D_1H-15N_NOESY_9 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-15N NOESY' _Sample_label $sample_1 save_ save_3D_1H-13C_NOESY_10 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-13C NOESY' _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' 0.04 . M pH 6.0 . pH pressure 1 . atm temperature 298 . 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 _Indirect_shift_ratio_citation_label _Correction_value_citation_label DSS C 13 'methyl protons' ppm 0.00 . indirect . . . 0.251449530 $entry_citation $entry_citation DSS H 1 'methyl protons' ppm 0.00 internal direct . . . 1.000000000 $entry_citation $entry_citation DSS N 15 'methyl protons' ppm 0.00 . indirect . . . 0.101329118 $entry_citation $entry_citation 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_ _Experiment_label '3D HCCH-COSY' 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 SAP30_ZnF _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 61 1 SER HA H 4.45 0.03 1 2 61 1 SER HB2 H 3.82 0.03 2 3 61 1 SER HB3 H 3.86 0.03 2 4 61 1 SER CA C 58.33 0.20 1 5 61 1 SER CB C 64.19 0.20 1 6 62 2 ASN HA H 4.61 0.03 1 7 62 2 ASN HB3 H 2.57 0.03 2 8 62 2 ASN HD21 H 7.39 0.03 2 9 62 2 ASN HD22 H 6.76 0.03 2 10 62 2 ASN C C 174.76 0.20 1 11 62 2 ASN CA C 53.10 0.20 1 12 62 2 ASN CB C 38.79 0.20 1 13 62 2 ASN ND2 N 113.62 0.30 1 14 63 3 ALA H H 8.30 0.03 1 15 63 3 ALA HA H 4.20 0.03 1 16 63 3 ALA HB H 1.30 0.03 1 17 63 3 ALA C C 178.18 0.20 1 18 63 3 ALA CA C 53.07 0.20 1 19 63 3 ALA CB C 18.96 0.20 1 20 63 3 ALA N N 125.39 0.30 1 21 64 4 GLY H H 8.34 0.03 1 22 64 4 GLY HA2 H 3.80 0.03 2 23 64 4 GLY HA3 H 3.86 0.03 2 24 64 4 GLY C C 174.01 0.20 1 25 64 4 GLY CA C 45.35 0.20 1 26 64 4 GLY N N 109.30 0.30 1 27 65 5 GLN H H 7.95 0.03 1 28 65 5 GLN HA H 4.33 0.03 1 29 65 5 GLN HB3 H 1.62 0.03 2 30 65 5 GLN HE21 H 7.04 0.03 2 31 65 5 GLN HE22 H 6.46 0.03 2 32 65 5 GLN HG3 H 1.95 0.03 2 33 65 5 GLN C C 175.56 0.20 1 34 65 5 GLN CA C 55.40 0.20 1 35 65 5 GLN CB C 29.86 0.20 1 36 65 5 GLN CG C 33.74 0.20 1 37 65 5 GLN N N 119.54 0.30 1 38 65 5 GLN NE2 N 111.36 0.30 1 39 66 6 LEU H H 8.74 0.03 1 40 66 6 LEU HA H 4.61 0.03 1 41 66 6 LEU HB2 H 1.53 0.03 2 42 66 6 LEU HB3 H 1.66 0.03 2 43 66 6 LEU HD1 H 0.88 0.03 2 44 66 6 LEU HD2 H 0.66 0.03 2 45 66 6 LEU HG H 1.68 0.03 1 46 66 6 LEU C C 175.75 0.20 1 47 66 6 LEU CA C 54.01 0.20 1 48 66 6 LEU CB C 43.49 0.20 1 49 66 6 LEU CD1 C 25.34 0.20 2 50 66 6 LEU CD2 C 22.79 0.20 2 51 66 6 LEU CG C 27.15 0.20 1 52 66 6 LEU N N 126.12 0.30 1 53 67 7 CYS H H 8.47 0.03 1 54 67 7 CYS HA H 4.14 0.03 1 55 67 7 CYS HB2 H 2.92 0.03 2 56 67 7 CYS HB3 H 3.18 0.03 2 57 67 7 CYS C C 175.32 0.20 1 58 67 7 CYS CA C 60.78 0.20 1 59 67 7 CYS CB C 32.85 0.20 1 60 67 7 CYS N N 123.17 0.30 1 61 68 8 CYS H H 8.17 0.03 1 62 68 8 CYS HA H 4.28 0.03 1 63 68 8 CYS HB2 H 2.37 0.03 2 64 68 8 CYS HB3 H 2.80 0.03 2 65 68 8 CYS HG H 1.90 0.03 1 66 68 8 CYS C C 172.41 0.20 1 67 68 8 CYS CA C 58.92 0.20 1 68 68 8 CYS CB C 28.92 0.20 1 69 68 8 CYS N N 124.70 0.30 1 70 69 9 LEU H H 8.18 0.03 1 71 69 9 LEU HA H 4.58 0.03 1 72 69 9 LEU HB2 H 0.70 0.03 2 73 69 9 LEU HB3 H 1.56 0.03 2 74 69 9 LEU HD1 H 0.26 0.03 2 75 69 9 LEU HD2 H -0.12 0.03 2 76 69 9 LEU HG H 1.68 0.03 1 77 69 9 LEU C C 176.77 0.20 1 78 69 9 LEU CA C 54.76 0.20 1 79 69 9 LEU CB C 43.15 0.20 1 80 69 9 LEU CD1 C 25.97 0.20 2 81 69 9 LEU CD2 C 21.55 0.20 2 82 69 9 LEU CG C 26.00 0.20 1 83 69 9 LEU N N 122.65 0.30 1 84 70 10 ARG H H 8.88 0.03 1 85 70 10 ARG HA H 4.77 0.03 1 86 70 10 ARG HB2 H 1.23 0.03 2 87 70 10 ARG HB3 H 1.41 0.03 2 88 70 10 ARG HD2 H 2.83 0.03 2 89 70 10 ARG HD3 H 3.06 0.03 2 90 70 10 ARG HG2 H 1.11 0.03 2 91 70 10 ARG HG3 H 1.32 0.03 2 92 70 10 ARG C C 174.90 0.20 1 93 70 10 ARG CA C 54.71 0.20 1 94 70 10 ARG CB C 33.39 0.20 1 95 70 10 ARG CD C 43.62 0.20 1 96 70 10 ARG CG C 28.28 0.20 1 97 70 10 ARG N N 117.65 0.30 1 98 71 11 GLU H H 8.64 0.03 1 99 71 11 GLU HA H 5.09 0.03 1 100 71 11 GLU HB2 H 1.60 0.03 2 101 71 11 GLU HB3 H 2.13 0.03 2 102 71 11 GLU HG3 H 2.13 0.03 2 103 71 11 GLU C C 176.07 0.20 1 104 71 11 GLU CA C 54.27 0.20 1 105 71 11 GLU CB C 32.46 0.20 1 106 71 11 GLU CG C 35.92 0.20 1 107 71 11 GLU N N 123.91 0.30 1 108 72 12 ASP H H 9.51 0.03 1 109 72 12 ASP HA H 4.27 0.03 1 110 72 12 ASP HB2 H 2.59 0.03 2 111 72 12 ASP HB3 H 3.04 0.03 2 112 72 12 ASP C C 175.89 0.20 1 113 72 12 ASP CA C 55.88 0.20 1 114 72 12 ASP CB C 39.91 0.20 1 115 72 12 ASP N N 129.44 0.30 1 116 73 13 GLY H H 8.97 0.03 1 117 73 13 GLY HA2 H 3.52 0.03 2 118 73 13 GLY HA3 H 4.20 0.03 2 119 73 13 GLY C C 173.96 0.20 1 120 73 13 GLY CA C 45.35 0.20 1 121 73 13 GLY N N 103.50 0.30 1 122 74 14 GLU H H 7.66 0.03 1 123 74 14 GLU HA H 4.64 0.03 1 124 74 14 GLU HB2 H 1.87 0.03 2 125 74 14 GLU HB3 H 2.02 0.03 2 126 74 14 GLU HG2 H 2.15 0.03 2 127 74 14 GLU HG3 H 2.28 0.03 2 128 74 14 GLU C C 176.17 0.20 1 129 74 14 GLU CA C 54.46 0.20 1 130 74 14 GLU CB C 32.05 0.20 1 131 74 14 GLU CG C 35.67 0.20 1 132 74 14 GLU N N 121.33 0.30 1 133 75 15 ARG H H 9.00 0.03 1 134 75 15 ARG HA H 4.12 0.03 1 135 75 15 ARG HB2 H 1.63 0.03 2 136 75 15 ARG HB3 H 1.80 0.03 2 137 75 15 ARG HD2 H 3.19 0.03 2 138 75 15 ARG HD3 H 3.27 0.03 2 139 75 15 ARG HG3 H 1.78 0.03 2 140 75 15 ARG C C 175.23 0.20 1 141 75 15 ARG CA C 56.64 0.20 1 142 75 15 ARG CB C 29.72 0.20 1 143 75 15 ARG CD C 42.40 0.20 1 144 75 15 ARG CG C 26.45 0.20 1 145 75 15 ARG N N 127.99 0.30 1 146 76 16 CYS H H 8.87 0.03 1 147 76 16 CYS HA H 4.17 0.03 1 148 76 16 CYS HB2 H 2.84 0.03 2 149 76 16 CYS HB3 H 3.04 0.03 2 150 76 16 CYS CA C 61.84 0.20 1 151 76 16 CYS CB C 31.15 0.20 1 152 76 16 CYS N N 131.84 0.30 1 153 77 17 GLY H H 8.53 0.03 1 154 77 17 GLY HA2 H 3.68 0.03 2 155 77 17 GLY HA3 H 4.34 0.03 2 156 77 17 GLY C C 174.62 0.20 1 157 77 17 GLY CA C 45.11 0.20 1 158 77 17 GLY N N 111.93 0.30 1 159 78 18 ARG H H 8.96 0.03 1 160 78 18 ARG HA H 4.29 0.03 1 161 78 18 ARG HB2 H 1.76 0.03 2 162 78 18 ARG HB3 H 2.23 0.03 2 163 78 18 ARG HD2 H 3.07 0.03 2 164 78 18 ARG HD3 H 3.63 0.03 2 165 78 18 ARG HG2 H 1.46 0.03 2 166 78 18 ARG HG3 H 1.75 0.03 2 167 78 18 ARG C C 175.27 0.20 1 168 78 18 ARG CA C 56.35 0.20 1 169 78 18 ARG CB C 31.31 0.20 1 170 78 18 ARG CD C 44.42 0.20 1 171 78 18 ARG CG C 29.51 0.20 1 172 78 18 ARG N N 124.39 0.30 1 173 79 19 ALA H H 8.34 0.03 1 174 79 19 ALA HA H 4.17 0.03 1 175 79 19 ALA HB H 1.33 0.03 1 176 79 19 ALA C C 177.62 0.20 1 177 79 19 ALA CA C 52.71 0.20 1 178 79 19 ALA CB C 18.71 0.20 1 179 79 19 ALA N N 123.88 0.30 1 180 80 20 ALA H H 8.47 0.03 1 181 80 20 ALA HA H 3.54 0.03 1 182 80 20 ALA HB H 1.09 0.03 1 183 80 20 ALA C C 177.56 0.20 1 184 80 20 ALA CA C 52.84 0.20 1 185 80 20 ALA CB C 19.05 0.20 1 186 80 20 ALA N N 124.58 0.30 1 187 81 21 GLY H H 8.09 0.03 1 188 81 21 GLY HA2 H 3.80 0.03 2 189 81 21 GLY HA3 H 4.43 0.03 2 190 81 21 GLY C C 173.17 0.20 1 191 81 21 GLY CA C 44.39 0.20 1 192 81 21 GLY N N 114.00 0.30 1 193 82 22 ASN H H 8.69 0.03 1 194 82 22 ASN HA H 4.65 0.03 1 195 82 22 ASN HB2 H 2.74 0.03 2 196 82 22 ASN HB3 H 2.81 0.03 2 197 82 22 ASN HD21 H 7.48 0.03 2 198 82 22 ASN HD22 H 6.88 0.03 2 199 82 22 ASN C C 176.26 0.20 1 200 82 22 ASN CA C 53.58 0.20 1 201 82 22 ASN CB C 39.58 0.20 1 202 82 22 ASN N N 118.16 0.30 1 203 82 22 ASN ND2 N 113.20 0.30 1 204 83 23 ALA H H 8.72 0.03 1 205 83 23 ALA HA H 4.57 0.03 1 206 83 23 ALA HB H 1.48 0.03 1 207 83 23 ALA C C 175.91 0.20 1 208 83 23 ALA CA C 52.34 0.20 1 209 83 23 ALA CB C 19.37 0.20 1 210 83 23 ALA N N 125.18 0.30 1 211 84 24 SER H H 7.97 0.03 1 212 84 24 SER HA H 5.31 0.03 1 213 84 24 SER HB3 H 3.44 0.03 2 214 84 24 SER C C 174.62 0.20 1 215 84 24 SER CA C 56.55 0.20 1 216 84 24 SER CB C 66.42 0.20 1 217 84 24 SER N N 112.84 0.30 1 218 85 25 PHE H H 9.58 0.03 1 219 85 25 PHE HA H 4.32 0.03 1 220 85 25 PHE HB2 H 2.64 0.03 2 221 85 25 PHE HB3 H 3.00 0.03 2 222 85 25 PHE HD1 H 6.99 0.03 3 223 85 25 PHE HE1 H 7.09 0.03 3 224 85 25 PHE HZ H 7.16 0.03 1 225 85 25 PHE C C 173.43 0.20 1 226 85 25 PHE CA C 57.78 0.20 1 227 85 25 PHE CB C 38.78 0.20 1 228 85 25 PHE CD1 C 131.83 0.20 1 229 85 25 PHE CE1 C 131.60 0.20 1 230 85 25 PHE CZ C 129.50 0.20 1 231 85 25 PHE N N 125.52 0.30 1 232 86 26 SER H H 6.78 0.03 1 233 86 26 SER HA H 4.43 0.03 1 234 86 26 SER HB2 H 3.78 0.03 2 235 86 26 SER HB3 H 4.14 0.03 2 236 86 26 SER C C 174.20 0.20 1 237 86 26 SER CA C 56.61 0.20 1 238 86 26 SER CB C 66.01 0.20 1 239 86 26 SER N N 118.86 0.30 1 240 87 27 LYS H H 8.71 0.03 1 241 87 27 LYS HA H 3.85 0.03 1 242 87 27 LYS HB3 H 1.78 0.03 2 243 87 27 LYS HD3 H 1.66 0.03 2 244 87 27 LYS HE3 H 2.96 0.03 2 245 87 27 LYS HG2 H 1.41 0.03 2 246 87 27 LYS HG3 H 1.50 0.03 2 247 87 27 LYS C C 178.49 0.20 1 248 87 27 LYS CA C 59.39 0.20 1 249 87 27 LYS CB C 31.97 0.20 1 250 87 27 LYS CD C 29.04 0.20 1 251 87 27 LYS CE C 41.93 0.20 1 252 87 27 LYS CG C 25.30 0.20 1 253 87 27 LYS N N 121.79 0.30 1 254 88 28 ARG H H 8.01 0.03 1 255 88 28 ARG HA H 3.99 0.03 1 256 88 28 ARG HB2 H 1.70 0.03 2 257 88 28 ARG HB3 H 1.77 0.03 2 258 88 28 ARG HD3 H 3.15 0.03 2 259 88 28 ARG HG2 H 1.55 0.03 2 260 88 28 ARG HG3 H 1.61 0.03 2 261 88 28 ARG C C 178.89 0.20 1 262 88 28 ARG CA C 59.01 0.20 1 263 88 28 ARG CB C 30.12 0.20 1 264 88 28 ARG CD C 43.37 0.20 1 265 88 28 ARG CG C 27.37 0.20 1 266 88 28 ARG N N 119.52 0.30 1 267 89 29 ILE H H 7.35 0.03 1 268 89 29 ILE HA H 3.68 0.03 1 269 89 29 ILE HB H 1.74 0.03 1 270 89 29 ILE HD1 H 0.82 0.03 1 271 89 29 ILE HG12 H 1.24 0.03 2 272 89 29 ILE HG13 H 1.55 0.03 2 273 89 29 ILE HG2 H 0.82 0.03 1 274 89 29 ILE C C 177.62 0.20 1 275 89 29 ILE CA C 63.17 0.20 1 276 89 29 ILE CB C 36.90 0.20 1 277 89 29 ILE CD1 C 11.55 0.20 1 278 89 29 ILE CG1 C 28.80 0.20 1 279 89 29 ILE CG2 C 18.26 0.20 1 280 89 29 ILE N N 121.98 0.30 1 281 90 30 GLN H H 7.99 0.03 1 282 90 30 GLN HA H 3.63 0.03 1 283 90 30 GLN HB2 H 1.81 0.03 2 284 90 30 GLN HB3 H 2.02 0.03 2 285 90 30 GLN HE21 H 7.22 0.03 2 286 90 30 GLN HE22 H 6.94 0.03 2 287 90 30 GLN HG3 H 2.02 0.03 2 288 90 30 GLN C C 178.32 0.20 1 289 90 30 GLN CA C 59.20 0.20 1 290 90 30 GLN CB C 28.70 0.20 1 291 90 30 GLN CG C 34.04 0.20 1 292 90 30 GLN N N 121.02 0.30 1 293 90 30 GLN NE2 N 112.77 0.30 1 294 91 31 LYS H H 7.99 0.03 1 295 91 31 LYS HA H 4.09 0.03 1 296 91 31 LYS HB3 H 1.87 0.03 2 297 91 31 LYS HD3 H 1.64 0.03 2 298 91 31 LYS HE3 H 2.91 0.03 2 299 91 31 LYS HG2 H 1.40 0.03 2 300 91 31 LYS HG3 H 1.49 0.03 2 301 91 31 LYS C C 178.65 0.20 1 302 91 31 LYS CA C 58.72 0.20 1 303 91 31 LYS CB C 32.22 0.20 1 304 91 31 LYS CD C 29.05 0.20 1 305 91 31 LYS CE C 42.00 0.20 1 306 91 31 LYS CG C 25.06 0.20 1 307 91 31 LYS N N 119.52 0.30 1 308 92 32 SER H H 7.77 0.03 1 309 92 32 SER HA H 4.32 0.03 1 310 92 32 SER HB2 H 3.88 0.03 2 311 92 32 SER HB3 H 3.94 0.03 2 312 92 32 SER C C 176.11 0.20 1 313 92 32 SER CA C 61.26 0.20 1 314 92 32 SER CB C 63.61 0.20 1 315 92 32 SER N N 116.31 0.30 1 316 93 33 ILE H H 7.96 0.03 1 317 93 33 ILE HA H 3.92 0.03 1 318 93 33 ILE HB H 2.06 0.03 1 319 93 33 ILE HD1 H 0.88 0.03 1 320 93 33 ILE HG12 H 1.12 0.03 2 321 93 33 ILE HG13 H 1.67 0.03 2 322 93 33 ILE HG2 H 1.02 0.03 1 323 93 33 ILE C C 177.48 0.20 1 324 93 33 ILE CA C 63.61 0.20 1 325 93 33 ILE CB C 38.33 0.20 1 326 93 33 ILE CD1 C 14.50 0.20 1 327 93 33 ILE CG1 C 28.58 0.20 1 328 93 33 ILE CG2 C 18.03 0.20 1 329 93 33 ILE N N 119.95 0.30 1 330 94 34 SER H H 7.97 0.03 1 331 94 34 SER HA H 4.39 0.03 1 332 94 34 SER HB3 H 4.01 0.03 2 333 94 34 SER C C 176.49 0.20 1 334 94 34 SER CA C 60.56 0.20 1 335 94 34 SER CB C 63.13 0.20 1 336 94 34 SER N N 117.23 0.30 1 337 95 35 GLN H H 8.22 0.03 1 338 95 35 GLN HA H 4.26 0.03 1 339 95 35 GLN HB2 H 2.14 0.03 2 340 95 35 GLN HB3 H 2.23 0.03 2 341 95 35 GLN HE21 H 7.46 0.03 2 342 95 35 GLN HE22 H 6.86 0.03 2 343 95 35 GLN HG2 H 2.39 0.03 2 344 95 35 GLN HG3 H 2.49 0.03 2 345 95 35 GLN C C 177.05 0.20 1 346 95 35 GLN CA C 57.36 0.20 1 347 95 35 GLN CB C 28.90 0.20 1 348 95 35 GLN CG C 34.20 0.20 1 349 95 35 GLN N N 121.53 0.30 1 350 95 35 GLN NE2 N 112.48 0.30 1 351 96 36 LYS H H 7.87 0.03 1 352 96 36 LYS HA H 4.28 0.03 1 353 96 36 LYS HB2 H 1.82 0.03 2 354 96 36 LYS HB3 H 1.94 0.03 2 355 96 36 LYS HD3 H 1.64 0.03 2 356 96 36 LYS HE3 H 3.00 0.03 2 357 96 36 LYS HG2 H 1.45 0.03 2 358 96 36 LYS HG3 H 1.59 0.03 2 359 96 36 LYS C C 176.16 0.20 1 360 96 36 LYS CA C 56.57 0.20 1 361 96 36 LYS CB C 33.60 0.20 1 362 96 36 LYS CD C 29.04 0.20 1 363 96 36 LYS CE C 42.40 0.20 1 364 96 36 LYS CG C 25.80 0.20 1 365 96 36 LYS N N 118.55 0.30 1 366 97 37 LYS H H 8.11 0.03 1 367 97 37 LYS HA H 4.11 0.03 1 368 97 37 LYS HB3 H 1.92 0.03 2 369 97 37 LYS HD3 H 1.67 0.03 2 370 97 37 LYS HE3 H 2.98 0.03 2 371 97 37 LYS HG3 H 1.39 0.03 2 372 97 37 LYS C C 176.21 0.20 1 373 97 37 LYS CA C 57.23 0.20 1 374 97 37 LYS CB C 30.58 0.20 1 375 97 37 LYS CD C 29.08 0.20 1 376 97 37 LYS CE C 42.20 0.20 1 377 97 37 LYS CG C 25.00 0.20 1 378 97 37 LYS N N 117.68 0.30 1 379 98 38 VAL H H 7.43 0.03 1 380 98 38 VAL HA H 4.35 0.03 1 381 98 38 VAL HB H 2.06 0.03 1 382 98 38 VAL HG1 H 0.91 0.03 1 383 98 38 VAL HG2 H 0.91 0.03 1 384 98 38 VAL C C 175.83 0.20 1 385 98 38 VAL CA C 60.58 0.20 1 386 98 38 VAL CB C 33.41 0.20 1 387 98 38 VAL CG1 C 21.90 0.20 1 388 98 38 VAL CG2 C 20.72 0.20 1 389 98 38 VAL N N 115.86 0.30 1 390 99 39 LYS H H 8.96 0.03 1 391 99 39 LYS HA H 4.43 0.03 1 392 99 39 LYS HB3 H 1.89 0.03 2 393 99 39 LYS HD3 H 1.64 0.03 2 394 99 39 LYS HE3 H 2.93 0.03 2 395 99 39 LYS HG2 H 1.34 0.03 2 396 99 39 LYS HG3 H 1.43 0.03 2 397 99 39 LYS C C 175.70 0.20 1 398 99 39 LYS CA C 55.42 0.20 1 399 99 39 LYS CB C 30.58 0.20 1 400 99 39 LYS CD C 29.04 0.20 1 401 99 39 LYS CE C 42.17 0.20 1 402 99 39 LYS CG C 24.82 0.20 1 403 99 39 LYS N N 127.71 0.30 1 404 100 40 ILE H H 7.66 0.03 1 405 100 40 ILE HA H 5.02 0.03 1 406 100 40 ILE HB H 1.47 0.03 1 407 100 40 ILE HD1 H 0.68 0.03 1 408 100 40 ILE HG12 H 0.88 0.03 2 409 100 40 ILE HG13 H 1.48 0.03 2 410 100 40 ILE HG2 H 0.59 0.03 1 411 100 40 ILE C C 174.52 0.20 1 412 100 40 ILE CA C 59.37 0.20 1 413 100 40 ILE CB C 40.65 0.20 1 414 100 40 ILE CD1 C 13.34 0.20 1 415 100 40 ILE CG1 C 27.87 0.20 1 416 100 40 ILE CG2 C 19.43 0.20 1 417 100 40 ILE N N 123.14 0.30 1 418 101 41 GLU H H 8.49 0.03 1 419 101 41 GLU HA H 4.62 0.03 1 420 101 41 GLU HB2 H 1.77 0.03 2 421 101 41 GLU HB3 H 1.92 0.03 2 422 101 41 GLU HG2 H 1.88 0.03 2 423 101 41 GLU HG3 H 2.09 0.03 2 424 101 41 GLU C C 173.59 0.20 1 425 101 41 GLU CA C 53.74 0.20 1 426 101 41 GLU CB C 34.58 0.20 1 427 101 41 GLU CG C 36.08 0.20 1 428 101 41 GLU N N 123.46 0.30 1 429 102 42 LEU H H 8.49 0.03 1 430 102 42 LEU HA H 3.79 0.03 1 431 102 42 LEU HB2 H 0.89 0.03 2 432 102 42 LEU HB3 H 1.50 0.03 2 433 102 42 LEU HD1 H 0.68 0.03 2 434 102 42 LEU HD2 H 0.64 0.03 2 435 102 42 LEU HG H 1.06 0.03 1 436 102 42 LEU C C 176.44 0.20 1 437 102 42 LEU CA C 55.19 0.20 1 438 102 42 LEU CB C 43.10 0.20 1 439 102 42 LEU CD1 C 26.00 0.20 2 440 102 42 LEU CD2 C 24.27 0.20 2 441 102 42 LEU CG C 26.70 0.20 1 442 102 42 LEU N N 123.47 0.30 1 443 103 43 ASP H H 8.77 0.03 1 444 103 43 ASP HA H 4.52 0.03 1 445 103 43 ASP HB2 H 2.08 0.03 2 446 103 43 ASP HB3 H 2.82 0.03 2 447 103 43 ASP C C 177.60 0.20 1 448 103 43 ASP CA C 53.74 0.20 1 449 103 43 ASP CB C 41.88 0.20 1 450 103 43 ASP N N 127.21 0.30 1 451 104 44 LYS H H 8.91 0.03 1 452 104 44 LYS HA H 3.92 0.03 1 453 104 44 LYS HB2 H 1.77 0.03 2 454 104 44 LYS HB3 H 1.88 0.03 2 455 104 44 LYS HD3 H 1.66 0.03 2 456 104 44 LYS HE3 H 2.98 0.03 2 457 104 44 LYS HG2 H 1.40 0.03 2 458 104 44 LYS HG3 H 1.50 0.03 2 459 104 44 LYS C C 177.34 0.20 1 460 104 44 LYS CA C 58.93 0.20 1 461 104 44 LYS CB C 32.00 0.20 1 462 104 44 LYS CD C 29.04 0.20 1 463 104 44 LYS CE C 41.98 0.20 1 464 104 44 LYS CG C 25.65 0.20 1 465 104 44 LYS N N 129.08 0.30 1 466 105 45 SER H H 8.74 0.03 1 467 105 45 SER HA H 4.37 0.03 1 468 105 45 SER HB2 H 3.84 0.03 2 469 105 45 SER HB3 H 3.90 0.03 2 470 105 45 SER C C 175.04 0.20 1 471 105 45 SER CA C 59.15 0.20 1 472 105 45 SER CB C 63.83 0.20 1 473 105 45 SER N N 115.27 0.30 1 474 106 46 ALA H H 7.43 0.03 1 475 106 46 ALA HA H 4.15 0.03 1 476 106 46 ALA HB H 1.33 0.03 1 477 106 46 ALA CA C 53.30 0.20 1 478 106 46 ALA CB C 19.19 0.20 1 479 106 46 ALA N N 125.12 0.30 1 480 107 47 ARG HA H 4.28 0.03 1 481 107 47 ARG HB2 H 1.92 0.03 2 482 107 47 ARG HB3 H 2.15 0.03 2 483 107 47 ARG HD3 H 3.21 0.03 2 484 107 47 ARG HG2 H 1.61 0.03 2 485 107 47 ARG HG3 H 1.71 0.03 2 486 107 47 ARG CD C 43.28 0.20 1 487 107 47 ARG CG C 27.53 0.20 1 488 108 48 HIS HA H 4.65 0.03 1 489 108 48 HIS HB2 H 3.15 0.03 2 490 108 48 HIS HB3 H 3.21 0.03 2 491 108 48 HIS HD2 H 7.00 0.03 1 492 108 48 HIS HE1 H 8.06 0.03 1 493 108 48 HIS C C 173.16 0.20 1 494 108 48 HIS CA C 54.99 0.20 1 495 108 48 HIS CB C 33.40 0.20 1 496 108 48 HIS CD2 C 117.46 0.20 1 497 108 48 HIS CE1 C 140.40 0.20 1 498 108 48 HIS ND1 N 137.13 0.30 1 499 108 48 HIS NE2 N 164.74 0.30 1 500 109 49 LEU H H 8.03 0.03 1 501 109 49 LEU HA H 5.04 0.03 1 502 109 49 LEU HB2 H 1.28 0.03 2 503 109 49 LEU HB3 H 1.80 0.03 2 504 109 49 LEU HD1 H 0.82 0.03 2 505 109 49 LEU HD2 H 0.85 0.03 2 506 109 49 LEU HG H 1.39 0.03 1 507 109 49 LEU CA C 54.48 0.20 1 508 109 49 LEU CB C 43.01 0.20 1 509 109 49 LEU CD1 C 25.74 0.20 2 510 109 49 LEU CD2 C 24.35 0.20 2 511 109 49 LEU CG C 27.13 0.20 1 512 109 49 LEU N N 120.13 0.30 1 513 110 50 TYR HA H 5.02 0.03 1 514 110 50 TYR HB2 H 2.84 0.03 2 515 110 50 TYR HB3 H 3.21 0.03 2 516 110 50 TYR HD1 H 7.05 0.03 3 517 110 50 TYR HE1 H 6.79 0.03 3 518 110 50 TYR C C 176.96 0.20 1 519 110 50 TYR CA C 60.34 0.20 1 520 110 50 TYR CB C 39.21 0.20 1 521 110 50 TYR CD1 C 133.69 0.20 1 522 110 50 TYR CE1 C 117.71 0.20 1 523 111 51 ILE H H 8.51 0.03 1 524 111 51 ILE HA H 5.96 0.03 1 525 111 51 ILE HB H 2.05 0.03 1 526 111 51 ILE HD1 H 0.65 0.03 1 527 111 51 ILE HG12 H 0.89 0.03 2 528 111 51 ILE HG13 H 1.52 0.03 2 529 111 51 ILE HG2 H 0.92 0.03 1 530 111 51 ILE C C 177.90 0.20 1 531 111 51 ILE CA C 58.10 0.20 1 532 111 51 ILE CB C 41.37 0.20 1 533 111 51 ILE CD1 C 13.59 0.20 1 534 111 51 ILE CG1 C 25.28 0.20 1 535 111 51 ILE CG2 C 18.69 0.20 1 536 111 51 ILE N N 115.05 0.30 1 537 112 52 CYS H H 9.83 0.03 1 538 112 52 CYS HA H 5.00 0.03 1 539 112 52 CYS HB2 H 2.79 0.03 2 540 112 52 CYS HB3 H 3.38 0.03 2 541 112 52 CYS C C 175.42 0.20 1 542 112 52 CYS CA C 57.77 0.20 1 543 112 52 CYS CB C 33.12 0.20 1 544 112 52 CYS N N 125.82 0.30 1 545 113 53 ASP H H 9.00 0.03 1 546 113 53 ASP HA H 4.51 0.03 1 547 113 53 ASP HB3 H 2.63 0.03 2 548 113 53 ASP C C 178.14 0.20 1 549 113 53 ASP CA C 57.33 0.20 1 550 113 53 ASP CB C 39.73 0.20 1 551 113 53 ASP N N 121.96 0.30 1 552 114 54 TYR H H 8.22 0.03 1 553 114 54 TYR HA H 4.10 0.03 1 554 114 54 TYR HB2 H 2.98 0.03 2 555 114 54 TYR HB3 H 3.54 0.03 2 556 114 54 TYR HD1 H 6.31 0.03 3 557 114 54 TYR HE1 H 6.50 0.03 3 558 114 54 TYR C C 178.41 0.20 1 559 114 54 TYR CA C 61.97 0.20 1 560 114 54 TYR CB C 37.15 0.20 1 561 114 54 TYR CD1 C 132.65 0.20 1 562 114 54 TYR CE1 C 117.59 0.20 1 563 114 54 TYR N N 123.51 0.30 1 564 115 55 HIS H H 10.09 0.03 1 565 115 55 HIS HA H 4.04 0.03 1 566 115 55 HIS HB2 H 2.69 0.03 2 567 115 55 HIS HB3 H 3.75 0.03 2 568 115 55 HIS HD2 H 6.86 0.03 1 569 115 55 HIS HE1 H 8.31 0.03 1 570 115 55 HIS C C 177.24 0.20 1 571 115 55 HIS CA C 63.87 0.20 1 572 115 55 HIS CB C 29.60 0.20 1 573 115 55 HIS CD2 C 117.68 0.20 1 574 115 55 HIS CE1 C 139.76 0.20 1 575 115 55 HIS N N 124.83 0.30 1 576 115 55 HIS ND1 N 223.47 0.30 1 577 115 55 HIS NE2 N 172.13 0.30 1 578 116 56 LYS H H 8.83 0.03 1 579 116 56 LYS HA H 3.72 0.03 1 580 116 56 LYS HB2 H 1.89 0.03 2 581 116 56 LYS HB3 H 2.08 0.03 2 582 116 56 LYS HD2 H 1.64 0.03 2 583 116 56 LYS HD3 H 1.78 0.03 2 584 116 56 LYS HE3 H 2.91 0.03 2 585 116 56 LYS HG2 H 1.17 0.03 2 586 116 56 LYS HG3 H 1.41 0.03 2 587 116 56 LYS C C 178.14 0.20 1 588 116 56 LYS CA C 60.59 0.20 1 589 116 56 LYS CB C 32.23 0.20 1 590 116 56 LYS CD C 29.45 0.20 1 591 116 56 LYS CE C 41.93 0.20 1 592 116 56 LYS CG C 24.11 0.20 1 593 116 56 LYS N N 123.34 0.30 1 594 117 57 ASN H H 8.14 0.03 1 595 117 57 ASN HA H 4.34 0.03 1 596 117 57 ASN HB2 H 2.65 0.03 2 597 117 57 ASN HB3 H 2.74 0.03 2 598 117 57 ASN HD21 H 7.46 0.03 2 599 117 57 ASN HD22 H 6.92 0.03 2 600 117 57 ASN C C 177.57 0.20 1 601 117 57 ASN CA C 55.89 0.20 1 602 117 57 ASN CB C 38.07 0.20 1 603 117 57 ASN N N 116.92 0.30 1 604 117 57 ASN ND2 N 113.76 0.30 1 605 118 58 LEU H H 7.89 0.03 1 606 118 58 LEU HA H 3.93 0.03 1 607 118 58 LEU HB2 H 1.28 0.03 2 608 118 58 LEU HB3 H 1.58 0.03 2 609 118 58 LEU HD1 H 0.83 0.03 2 610 118 58 LEU HD2 H 0.78 0.03 2 611 118 58 LEU HG H 1.45 0.03 1 612 118 58 LEU C C 179.40 0.20 1 613 118 58 LEU CA C 58.42 0.20 1 614 118 58 LEU CB C 43.17 0.20 1 615 118 58 LEU CD1 C 25.79 0.20 2 616 118 58 LEU CD2 C 24.64 0.20 2 617 118 58 LEU CG C 27.40 0.20 1 618 118 58 LEU N N 123.59 0.30 1 619 119 59 ILE H H 8.36 0.03 1 620 119 59 ILE HA H 3.47 0.03 1 621 119 59 ILE HB H 1.87 0.03 1 622 119 59 ILE HD1 H 0.78 0.03 1 623 119 59 ILE HG12 H 0.87 0.03 2 624 119 59 ILE HG13 H 1.79 0.03 2 625 119 59 ILE HG2 H 0.87 0.03 1 626 119 59 ILE C C 177.29 0.20 1 627 119 59 ILE CA C 65.26 0.20 1 628 119 59 ILE CB C 38.33 0.20 1 629 119 59 ILE CD1 C 14.26 0.20 1 630 119 59 ILE CG1 C 30.21 0.20 1 631 119 59 ILE CG2 C 18.28 0.20 1 632 119 59 ILE N N 118.63 0.30 1 633 120 60 GLN H H 7.83 0.03 1 634 120 60 GLN HA H 4.13 0.03 1 635 120 60 GLN HB3 H 2.11 0.03 2 636 120 60 GLN HE21 H 7.35 0.03 2 637 120 60 GLN HE22 H 6.80 0.03 2 638 120 60 GLN HG2 H 2.35 0.03 2 639 120 60 GLN HG3 H 2.49 0.03 2 640 120 60 GLN C C 177.24 0.20 1 641 120 60 GLN CA C 57.75 0.20 1 642 120 60 GLN CB C 28.91 0.20 1 643 120 60 GLN CG C 34.43 0.20 1 644 120 60 GLN N N 117.84 0.30 1 645 120 60 GLN NE2 N 111.62 0.30 1 646 121 61 SER H H 7.79 0.03 1 647 121 61 SER HA H 4.30 0.03 1 648 121 61 SER HB3 H 3.94 0.03 2 649 121 61 SER C C 175.65 0.20 1 650 121 61 SER CA C 60.09 0.20 1 651 121 61 SER CB C 63.57 0.20 1 652 121 61 SER N N 115.46 0.30 1 653 122 62 VAL H H 8.02 0.03 1 654 122 62 VAL HA H 4.02 0.03 1 655 122 62 VAL HB H 2.15 0.03 1 656 122 62 VAL HG1 H 0.92 0.03 1 657 122 62 VAL HG2 H 0.96 0.03 1 658 122 62 VAL C C 176.96 0.20 1 659 122 62 VAL CA C 63.60 0.20 1 660 122 62 VAL CB C 32.30 0.20 1 661 122 62 VAL CG1 C 21.55 0.20 1 662 122 62 VAL CG2 C 21.20 0.20 1 663 122 62 VAL N N 121.60 0.30 1 664 123 63 ARG H H 8.13 0.03 1 665 123 63 ARG HA H 4.19 0.03 1 666 123 63 ARG HB2 H 1.76 0.03 2 667 123 63 ARG HB3 H 1.83 0.03 2 668 123 63 ARG HD3 H 3.14 0.03 2 669 123 63 ARG HG2 H 1.57 0.03 2 670 123 63 ARG HG3 H 1.69 0.03 2 671 123 63 ARG C C 176.49 0.20 1 672 123 63 ARG CA C 57.07 0.20 1 673 123 63 ARG CB C 30.78 0.20 1 674 123 63 ARG CD C 43.58 0.20 1 675 123 63 ARG CG C 27.40 0.20 1 676 123 63 ARG N N 122.77 0.30 1 677 124 64 ASN H H 8.21 0.03 1 678 124 64 ASN HA H 4.65 0.03 1 679 124 64 ASN HB2 H 2.74 0.03 2 680 124 64 ASN HB3 H 2.81 0.03 2 681 124 64 ASN HD21 H 7.56 0.03 2 682 124 64 ASN HD22 H 6.87 0.03 2 683 124 64 ASN C C 175.31 0.20 1 684 124 64 ASN CA C 53.50 0.20 1 685 124 64 ASN CB C 38.84 0.20 1 686 124 64 ASN N N 119.35 0.30 1 687 124 64 ASN ND2 N 113.05 0.30 1 688 125 65 ARG H H 8.10 0.03 1 689 125 65 ARG HA H 4.27 0.03 1 690 125 65 ARG HB2 H 1.77 0.03 2 691 125 65 ARG HB3 H 1.85 0.03 2 692 125 65 ARG HD3 H 3.17 0.03 2 693 125 65 ARG HG3 H 1.64 0.03 2 694 125 65 ARG C C 176.31 0.20 1 695 125 65 ARG CA C 56.58 0.20 1 696 125 65 ARG CB C 30.81 0.20 1 697 125 65 ARG CD C 43.57 0.20 1 698 125 65 ARG CG C 27.20 0.20 1 699 125 65 ARG N N 122.23 0.30 1 700 126 66 ARG H H 8.26 0.03 1 701 126 66 ARG HA H 4.27 0.03 1 702 126 66 ARG HB2 H 1.74 0.03 2 703 126 66 ARG HB3 H 1.80 0.03 2 704 126 66 ARG HD3 H 3.17 0.03 2 705 126 66 ARG HG3 H 1.61 0.03 2 706 126 66 ARG C C 176.21 0.20 1 707 126 66 ARG CA C 56.19 0.20 1 708 126 66 ARG CB C 30.81 0.20 1 709 126 66 ARG CD C 43.42 0.20 1 710 126 66 ARG CG C 27.18 0.20 1 711 126 66 ARG N N 122.76 0.30 1 712 127 67 LYS H H 8.27 0.03 1 713 127 67 LYS HA H 4.26 0.03 1 714 127 67 LYS HB3 H 1.76 0.03 2 715 127 67 LYS HD3 H 1.66 0.03 2 716 127 67 LYS HE3 H 2.96 0.03 2 717 127 67 LYS HG3 H 1.39 0.03 2 718 127 67 LYS C C 176.45 0.20 1 719 127 67 LYS CA C 56.32 0.20 1 720 127 67 LYS CB C 33.18 0.20 1 721 127 67 LYS CD C 29.25 0.20 1 722 127 67 LYS CE C 42.17 0.20 1 723 127 67 LYS CG C 24.82 0.20 1 724 127 67 LYS N N 123.62 0.30 1 725 128 68 ARG H H 8.34 0.03 1 726 128 68 ARG HA H 4.27 0.03 1 727 128 68 ARG HB3 H 1.76 0.03 2 728 128 68 ARG HD3 H 3.16 0.03 2 729 128 68 ARG HG3 H 1.59 0.03 2 730 128 68 ARG C C 176.25 0.20 1 731 128 68 ARG CA C 56.13 0.20 1 732 128 68 ARG CB C 31.06 0.20 1 733 128 68 ARG CD C 43.45 0.20 1 734 128 68 ARG CG C 27.04 0.20 1 735 128 68 ARG N N 123.75 0.30 1 736 129 69 LYS H H 8.45 0.03 1 737 129 69 LYS HA H 4.25 0.03 1 738 129 69 LYS HB3 H 1.78 0.03 2 739 129 69 LYS HD3 H 1.66 0.03 2 740 129 69 LYS HE3 H 2.96 0.03 2 741 129 69 LYS HG3 H 1.42 0.03 2 742 129 69 LYS C C 177.01 0.20 1 743 129 69 LYS CA C 57.00 0.20 1 744 129 69 LYS CB C 32.94 0.20 1 745 129 69 LYS CD C 29.15 0.20 1 746 129 69 LYS CE C 42.07 0.20 1 747 129 69 LYS CG C 24.90 0.20 1 748 129 69 LYS N N 124.58 0.30 1 749 130 70 GLY H H 8.50 0.03 1 750 130 70 GLY HA2 H 3.91 0.03 2 751 130 70 GLY HA3 H 4.01 0.03 2 752 130 70 GLY C C 173.36 0.20 1 753 130 70 GLY CA C 45.37 0.20 1 754 130 70 GLY N N 112.47 0.30 1 755 131 71 SER H H 7.85 0.03 1 756 131 71 SER HA H 4.25 0.03 1 757 131 71 SER HB3 H 3.81 0.03 2 758 131 71 SER CA C 59.94 0.20 1 759 131 71 SER CB C 64.98 0.20 1 760 131 71 SER N N 121.87 0.30 1 stop_ save_