data_19968 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; 1H, 13C, and 15N resonance assignments for the tandem PHD finger motifs of human CHD4 ; _BMRB_accession_number 19968 _BMRB_flat_file_name bmr19968.str _Entry_type original _Submission_date 2014-05-12 _Accession_date 2014-05-12 _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 Walport Louise J . 2 Morra Rosa . . 3 Mancini Erika . . 4 Redfield Christina . . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 698 "13C chemical shifts" 474 "15N chemical shifts" 128 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2016-10-06 original BMRB . stop_ _Original_release_date 2016-10-06 save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full . _Citation_title ; (1)H, (13)C, and (15)N resonance assignments for the tandem PHD finger motifs of human CHD4 ; _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 25326197 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Walport Louise J . 2 Morra Rosa . . 3 Mancini Erika . . 4 Redfield Christina . . stop_ _Journal_abbreviation 'Biomol. NMR Assign.' _Journal_volume 9 _Journal_issue 2 _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 239 _Page_last 242 _Year 2015 _Details . loop_ _Keyword 'Backbone resonance assignments' 'Heteronuclear NMR' Histone 'Human chromodomain helicase DNA binding protein 4' 'Plant homeodomain zinc finger' stop_ save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name 'tandem PHD fingers of CHD4' _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label dPHD $dPHD Zinc1 $entity_ZN Zinc2 $entity_ZN Zinc3 $entity_ZN Zinc4 $entity_ZN stop_ _System_molecular_weight 16900 _System_physical_state native _System_oligomer_state ? _System_paramagnetic no _System_thiol_state . _Database_query_date . _Details "Two PHDs connected by a long linker. Each PHD has two zincs bound in a 'standard' C4HC3 zinc finger cross-brace topology." save_ ######################## # Monomeric polymers # ######################## save_dPHD _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common dPHD _Molecular_mass . _Mol_thiol_state 'free and other bound' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 148 _Mol_residue_sequence ; METDHQDYCEVCQQGGEIIL CDTCPRAYHMVCLDPDMEKA PEGKWSCPHCEKEGIQWEAK EDNSEGEEILEEVGGDPEEE DDHHMEFCRVCKDGGELLCC DTCPSSYHIHCLNPPLPEIP NGEWLCPRCTCPALKGKKLE HHHHHHHH ; loop_ _Residue_seq_code _Residue_author_seq_code _Residue_label 1 1 MET 2 2 GLU 3 3 THR 4 4 ASP 5 5 HIS 6 6 GLN 7 7 ASP 8 8 TYR 9 9 CYS 10 10 GLU 11 11 VAL 12 12 CYS 13 13 GLN 14 14 GLN 15 15 GLY 16 16 GLY 17 17 GLU 18 18 ILE 19 19 ILE 20 20 LEU 21 21 CYS 22 22 ASP 23 23 THR 24 24 CYS 25 25 PRO 26 26 ARG 27 27 ALA 28 28 TYR 29 29 HIS 30 30 MET 31 31 VAL 32 32 CYS 33 33 LEU 34 34 ASP 35 35 PRO 36 36 ASP 37 37 MET 38 38 GLU 39 39 LYS 40 40 ALA 41 41 PRO 42 42 GLU 43 43 GLY 44 44 LYS 45 45 TRP 46 46 SER 47 47 CYS 48 48 PRO 49 49 HIS 50 50 CYS 51 51 GLU 52 52 LYS 53 53 GLU 54 54 GLY 55 55 ILE 56 56 GLN 57 57 TRP 58 58 GLU 59 59 ALA 60 60 LYS 61 61 GLU 62 62 ASP 63 63 ASN 64 64 SER 65 65 GLU 66 66 GLY 67 67 GLU 68 68 GLU 69 69 ILE 70 70 LEU 71 71 GLU 72 72 GLU 73 73 VAL 74 74 GLY 75 75 GLY 76 76 ASP 77 77 PRO 78 78 GLU 79 79 GLU 80 80 GLU 81 81 ASP 82 82 ASP 83 83 HIS 84 84 HIS 85 85 MET 86 86 GLU 87 87 PHE 88 88 CYS 89 89 ARG 90 90 VAL 91 91 CYS 92 92 LYS 93 93 ASP 94 94 GLY 95 95 GLY 96 96 GLU 97 97 LEU 98 98 LEU 99 99 CYS 100 100 CYS 101 101 ASP 102 102 THR 103 103 CYS 104 104 PRO 105 105 SER 106 106 SER 107 107 TYR 108 108 HIS 109 109 ILE 110 110 HIS 111 111 CYS 112 112 LEU 113 113 ASN 114 114 PRO 115 115 PRO 116 116 LEU 117 117 PRO 118 118 GLU 119 119 ILE 120 120 PRO 121 121 ASN 122 122 GLY 123 123 GLU 124 124 TRP 125 125 LEU 126 126 CYS 127 127 PRO 128 128 ARG 129 129 CYS 130 130 THR 131 131 CYS 132 132 PRO 133 133 ALA 134 134 LEU 135 135 LYS 136 136 GLY 137 137 LYS 138 138 LYS 139 139 LEU 140 140 GLU 141 141 HIS 142 142 HIS 143 143 HIS 144 144 HIS 145 145 HIS 146 146 HIS 147 147 HIS 148 148 HIS stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date . save_ ############# # Ligands # ############# save_ZN _Saveframe_category ligand _Mol_type "non-polymer (NON-POLYMER)" _Name_common 'ZINC ION' _BMRB_code ZN _PDB_code ZN _Molecular_mass 65.409 _Mol_charge 2 _Mol_paramagnetic . _Mol_aromatic no _Details . 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 $dPHD Human 9606 Eukaryota Metazoa Homo sapiens CHD4 stop_ save_ ######################### # Experimental source # ######################### save_experimental_source _Saveframe_category experimental_source loop_ _Mol_label _Production_method _Host_organism_name_common _Genus _Species _Strain _Variant _Vector_name $dPHD 'recombinant technology' . Escherichia coli BL21 'Rosetta (DE3)pLysS' pTriEx2 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 $dPHD 1 mM '[U-99% 15N]' 'sodium chloride' 200 mM 'natural abundance' DTT 10 mM 'natural abundance' TRIS 20 mM 'natural abundance' D2O 5 % 'natural abundance' H2O 95 % 'natural abundance' stop_ save_ save_sample_2 _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $dPHD 1 mM '[U-99% 13C; U-99% 15N]' DTT 10 mM 'natural abundance' 'sodium chloride' 200 mM 'natural abundance' TRIS 20 mM 'natural abundance' D2O 5 % 'natural abundance' H2O 95 % 'natural abundance' stop_ save_ ############################ # Computer software used # ############################ save_NMRPipe _Saveframe_category software _Name NMRPipe _Version 'June 2006 Sun Solaris' loop_ _Vendor _Address _Electronic_address 'Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax' . . stop_ loop_ _Task processing stop_ _Details . save_ save_Analysis _Saveframe_category software _Name Analysis _Version 2.1 loop_ _Vendor _Address _Electronic_address CCPN . . stop_ loop_ _Task 'chemical shift assignment' stop_ _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model Avance _Field_strength 500 _Details . save_ save_spectrometer_2 _Saveframe_category NMR_spectrometer _Manufacturer 'home built' _Model OMEGA _Field_strength 750 _Details 'home-built console base on the GE-Omega data acquisition system equipped with triple-axis gradient triple resonance probe' save_ save_spectrometer_3 _Saveframe_category NMR_spectrometer _Manufacturer 'home built' _Model OMEGA _Field_strength 950 _Details 'home-built console base on the GE-Omega data acquisition system equipped with triple-axis gradient triple resonance probe' 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_3D_1H-15N_NOESY_2 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-15N NOESY' _Sample_label $sample_1 save_ save_3D_1H-15N_TOCSY_3 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-15N TOCSY' _Sample_label $sample_1 save_ save_3D_HNCA_4 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCA' _Sample_label $sample_2 save_ save_3D_HN(CO)CA_5 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HN(CO)CA' _Sample_label $sample_2 save_ save_3D_CBCANH_6 _Saveframe_category NMR_applied_experiment _Experiment_name '3D CBCANH' _Sample_label $sample_2 save_ save_3D_CBCA(CO)NH_7 _Saveframe_category NMR_applied_experiment _Experiment_name '3D CBCA(CO)NH' _Sample_label $sample_2 save_ save_3D_HNCO_8 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCO' _Sample_label $sample_2 save_ save_3D_HCCH-TOCSY_9 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HCCH-TOCSY' _Sample_label $sample_2 save_ save_3D_HBHA(CO)NH_10 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HBHA(CO)NH' _Sample_label $sample_2 save_ save_3D_H(CCO)NH_11 _Saveframe_category NMR_applied_experiment _Experiment_name '3D H(CCO)NH' _Sample_label $sample_2 save_ save_3D_(H)C(CO)NH_12 _Saveframe_category NMR_applied_experiment _Experiment_name '3D (H)C(CO)NH' _Sample_label $sample_2 save_ save_3D_NH(CA)CO_13 _Saveframe_category NMR_applied_experiment _Experiment_name '3D NH(CA)CO' _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' 0.2 . M pH 7.5 . 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 water C 13 protons ppm 4.75 internal indirect . . . 0.251449530 water H 1 protons ppm 4.75 internal direct . . . 1.0 water N 15 protons ppm 4.75 internal 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_assigned_chem_shift_list_1 _Saveframe_category assigned_chemical_shifts _Details . loop_ _Software_label $NMRPipe $Analysis stop_ loop_ _Experiment_label '2D 1H-15N HSQC' '3D 1H-15N NOESY' '3D 1H-15N TOCSY' '3D HNCA' '3D HN(CO)CA' '3D CBCANH' '3D CBCA(CO)NH' '3D HNCO' '3D HCCH-TOCSY' '3D HBHA(CO)NH' '3D H(CCO)NH' '3D (H)C(CO)NH' '3D NH(CA)CO' stop_ loop_ _Sample_label $sample_1 $sample_2 stop_ _Sample_conditions_label $sample_conditions_1 _Chem_shift_reference_set_label $chemical_shift_reference_1 _Mol_system_component_name dPHD _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 2 2 GLU HA H 4.298 0.020 1 2 2 2 GLU HB2 H 1.892 0.020 2 3 2 2 GLU HB3 H 2.010 0.020 2 4 2 2 GLU HG3 H 2.219 0.020 1 5 2 2 GLU C C 175.544 0.200 1 6 2 2 GLU CA C 56.933 0.200 1 7 2 2 GLU CB C 30.355 0.200 1 8 2 2 GLU CG C 36.262 0.200 1 9 3 3 THR H H 7.992 0.020 1 10 3 3 THR HA H 4.275 0.020 1 11 3 3 THR HB H 4.134 0.020 1 12 3 3 THR HG2 H 0.982 0.020 1 13 3 3 THR C C 173.231 0.200 1 14 3 3 THR CA C 61.225 0.200 1 15 3 3 THR CB C 69.922 0.200 1 16 3 3 THR N N 112.835 0.200 1 17 4 4 ASP H H 8.159 0.020 1 18 4 4 ASP HA H 4.616 0.020 1 19 4 4 ASP HB2 H 2.572 0.020 2 20 4 4 ASP HB3 H 2.664 0.020 2 21 4 4 ASP C C 174.902 0.200 1 22 4 4 ASP CA C 54.486 0.200 1 23 4 4 ASP CB C 41.516 0.200 1 24 4 4 ASP N N 120.821 0.200 1 25 5 5 HIS H H 8.195 0.020 1 26 5 5 HIS HA H 4.907 0.020 1 27 5 5 HIS HB2 H 2.859 0.020 2 28 5 5 HIS HB3 H 3.307 0.020 2 29 5 5 HIS HD2 H 7.645 0.020 1 30 5 5 HIS HE1 H 8.774 0.020 1 31 5 5 HIS C C 174.741 0.200 1 32 5 5 HIS CA C 56.612 0.200 1 33 5 5 HIS CB C 32.733 0.200 1 34 5 5 HIS N N 115.418 0.200 1 35 6 6 GLN H H 8.598 0.020 1 36 6 6 GLN HA H 4.371 0.020 1 37 6 6 GLN HB2 H 1.630 0.020 2 38 6 6 GLN HB3 H 1.834 0.020 2 39 6 6 GLN HG2 H 2.408 0.020 2 40 6 6 GLN HG3 H 2.052 0.020 2 41 6 6 GLN HE21 H 7.266 0.020 1 42 6 6 GLN HE22 H 6.879 0.020 1 43 6 6 GLN C C 173.900 0.200 1 44 6 6 GLN CA C 54.741 0.200 1 45 6 6 GLN CB C 28.293 0.200 1 46 6 6 GLN CG C 32.482 0.200 1 47 6 6 GLN CD C 179.091 0.200 1 48 6 6 GLN N N 118.000 0.200 1 49 6 6 GLN NE2 N 108.717 0.200 1 50 7 7 ASP H H 7.975 0.020 1 51 7 7 ASP HA H 4.505 0.020 1 52 7 7 ASP HB2 H 2.573 0.020 2 53 7 7 ASP HB3 H 2.855 0.020 2 54 7 7 ASP C C 173.723 0.200 1 55 7 7 ASP CA C 52.605 0.200 1 56 7 7 ASP CB C 40.582 0.200 1 57 7 7 ASP N N 115.658 0.200 1 58 8 8 TYR H H 6.441 0.020 1 59 8 8 TYR HA H 4.473 0.020 1 60 8 8 TYR HB2 H 2.604 0.020 2 61 8 8 TYR HB3 H 2.259 0.020 2 62 8 8 TYR HD1 H 6.883 0.020 3 63 8 8 TYR HD2 H 6.883 0.020 3 64 8 8 TYR HE1 H 6.754 0.020 3 65 8 8 TYR HE2 H 6.754 0.020 3 66 8 8 TYR C C 171.281 0.200 1 67 8 8 TYR CA C 53.683 0.200 1 68 8 8 TYR CB C 40.650 0.200 1 69 8 8 TYR N N 111.698 0.200 1 70 9 9 CYS H H 8.342 0.020 1 71 9 9 CYS HA H 3.966 0.020 1 72 9 9 CYS HB2 H 1.742 0.020 2 73 9 9 CYS HB3 H 3.428 0.020 2 74 9 9 CYS C C 175.959 0.200 1 75 9 9 CYS CA C 57.222 0.200 1 76 9 9 CYS CB C 31.687 0.200 1 77 9 9 CYS N N 120.220 0.200 1 78 10 10 GLU H H 8.814 0.020 1 79 10 10 GLU HA H 4.125 0.020 1 80 10 10 GLU HB2 H 1.406 0.020 2 81 10 10 GLU HB3 H 1.657 0.020 2 82 10 10 GLU HG2 H 2.403 0.020 2 83 10 10 GLU HG3 H 2.397 0.020 2 84 10 10 GLU C C 175.901 0.200 1 85 10 10 GLU CA C 57.570 0.200 1 86 10 10 GLU CB C 31.625 0.200 1 87 10 10 GLU CG C 33.974 0.200 1 88 10 10 GLU N N 129.406 0.200 1 89 11 11 VAL H H 8.806 0.020 1 90 11 11 VAL HA H 4.001 0.020 1 91 11 11 VAL HB H 2.296 0.020 1 92 11 11 VAL HG1 H 1.138 0.020 2 93 11 11 VAL HG2 H 1.301 0.020 2 94 11 11 VAL C C 176.646 0.200 1 95 11 11 VAL CA C 65.421 0.200 1 96 11 11 VAL CB C 33.198 0.200 1 97 11 11 VAL CG1 C 20.840 0.200 2 98 11 11 VAL CG2 C 21.711 0.200 2 99 11 11 VAL N N 117.887 0.200 1 100 12 12 CYS H H 7.938 0.020 1 101 12 12 CYS HA H 5.022 0.020 1 102 12 12 CYS HB2 H 2.958 0.020 2 103 12 12 CYS HB3 H 3.378 0.020 2 104 12 12 CYS C C 175.293 0.200 1 105 12 12 CYS CA C 58.850 0.200 1 106 12 12 CYS CB C 31.688 0.200 1 107 12 12 CYS N N 115.567 0.200 1 108 13 13 GLN H H 8.438 0.020 1 109 13 13 GLN HA H 4.082 0.020 1 110 13 13 GLN HB2 H 2.157 0.020 2 111 13 13 GLN HB3 H 2.359 0.020 2 112 13 13 GLN HG2 H 2.120 0.020 2 113 13 13 GLN HG3 H 2.188 0.020 2 114 13 13 GLN HE21 H 7.137 0.020 1 115 13 13 GLN HE22 H 6.575 0.020 1 116 13 13 GLN C C 173.705 0.200 1 117 13 13 GLN CA C 58.353 0.200 1 118 13 13 GLN CB C 25.767 0.200 1 119 13 13 GLN CG C 34.666 0.200 1 120 13 13 GLN CD C 179.566 0.200 1 121 13 13 GLN N N 115.884 0.200 1 122 13 13 GLN NE2 N 111.542 0.200 1 123 14 14 GLN H H 8.403 0.020 1 124 14 14 GLN HA H 4.860 0.020 1 125 14 14 GLN HB2 H 2.447 0.020 2 126 14 14 GLN HB3 H 2.334 0.020 2 127 14 14 GLN HG2 H 2.506 0.020 2 128 14 14 GLN HG3 H 2.502 0.020 2 129 14 14 GLN HE21 H 6.908 0.020 1 130 14 14 GLN HE22 H 7.399 0.020 1 131 14 14 GLN C C 175.683 0.200 1 132 14 14 GLN CA C 54.348 0.200 1 133 14 14 GLN CB C 31.356 0.200 1 134 14 14 GLN CG C 33.998 0.200 1 135 14 14 GLN CD C 179.781 0.200 1 136 14 14 GLN N N 117.176 0.200 1 137 14 14 GLN NE2 N 111.886 0.200 1 138 15 15 GLY H H 8.570 0.020 1 139 15 15 GLY HA2 H 3.907 0.020 2 140 15 15 GLY HA3 H 4.448 0.020 2 141 15 15 GLY C C 173.581 0.200 1 142 15 15 GLY CA C 44.069 0.200 1 143 15 15 GLY N N 106.918 0.200 1 144 16 16 GLY H H 8.661 0.020 1 145 16 16 GLY HA2 H 4.597 0.020 2 146 16 16 GLY HA3 H 3.696 0.020 2 147 16 16 GLY C C 172.360 0.200 1 148 16 16 GLY CA C 44.813 0.200 1 149 16 16 GLY N N 109.543 0.200 1 150 17 17 GLU H H 8.887 0.020 1 151 17 17 GLU HA H 4.339 0.020 1 152 17 17 GLU HB2 H 2.032 0.020 2 153 17 17 GLU HB3 H 2.107 0.020 2 154 17 17 GLU HG2 H 2.233 0.020 2 155 17 17 GLU HG3 H 2.227 0.020 2 156 17 17 GLU C C 174.577 0.200 1 157 17 17 GLU CA C 56.629 0.200 1 158 17 17 GLU CB C 28.486 0.200 1 159 17 17 GLU CG C 36.303 0.200 1 160 17 17 GLU N N 124.437 0.200 1 161 18 18 ILE H H 7.901 0.020 1 162 18 18 ILE HA H 4.648 0.020 1 163 18 18 ILE HB H 1.445 0.020 1 164 18 18 ILE HG12 H 1.062 0.020 2 165 18 18 ILE HG13 H 1.176 0.020 2 166 18 18 ILE HG2 H 0.041 0.020 1 167 18 18 ILE HD1 H 0.390 0.020 1 168 18 18 ILE C C 174.207 0.200 1 169 18 18 ILE CA C 59.366 0.200 1 170 18 18 ILE CB C 40.834 0.200 1 171 18 18 ILE CG1 C 23.545 0.200 1 172 18 18 ILE CG2 C 17.392 0.200 1 173 18 18 ILE CD1 C 12.512 0.200 1 174 18 18 ILE N N 118.103 0.200 1 175 19 19 ILE H H 9.197 0.020 1 176 19 19 ILE HA H 4.337 0.020 1 177 19 19 ILE HB H 1.629 0.020 1 178 19 19 ILE HG12 H 0.990 0.020 2 179 19 19 ILE HG13 H 1.292 0.020 2 180 19 19 ILE HG2 H 0.552 0.020 1 181 19 19 ILE HD1 H 0.108 0.020 1 182 19 19 ILE C C 174.425 0.200 1 183 19 19 ILE CA C 59.772 0.200 1 184 19 19 ILE CB C 39.431 0.200 1 185 19 19 ILE CG1 C 26.586 0.200 1 186 19 19 ILE CG2 C 17.668 0.200 1 187 19 19 ILE CD1 C 13.125 0.200 1 188 19 19 ILE N N 120.199 0.200 1 189 20 20 LEU H H 8.452 0.020 1 190 20 20 LEU HA H 4.671 0.020 1 191 20 20 LEU HB2 H 0.313 0.020 2 192 20 20 LEU HB3 H 1.536 0.020 2 193 20 20 LEU HG H 1.546 0.020 1 194 20 20 LEU HD1 H 0.582 0.020 2 195 20 20 LEU HD2 H 0.547 0.020 2 196 20 20 LEU C C 175.880 0.200 1 197 20 20 LEU CA C 53.929 0.200 1 198 20 20 LEU CB C 41.332 0.200 1 199 20 20 LEU CG C 27.004 0.200 1 200 20 20 LEU CD1 C 24.712 0.200 2 201 20 20 LEU CD2 C 23.056 0.200 2 202 20 20 LEU N N 122.615 0.200 1 203 21 21 CYS H H 8.586 0.020 1 204 21 21 CYS HA H 4.613 0.020 1 205 21 21 CYS HB2 H 2.503 0.020 2 206 21 21 CYS HB3 H 3.662 0.020 2 207 21 21 CYS C C 176.021 0.200 1 208 21 21 CYS CA C 61.448 0.200 1 209 21 21 CYS CB C 30.301 0.200 1 210 21 21 CYS N N 124.310 0.200 1 211 22 22 ASP H H 9.134 0.020 1 212 22 22 ASP HA H 5.123 0.020 1 213 22 22 ASP HB2 H 2.819 0.020 2 214 22 22 ASP HB3 H 2.932 0.020 2 215 22 22 ASP C C 177.129 0.200 1 216 22 22 ASP CA C 58.079 0.200 1 217 22 22 ASP CB C 42.734 0.200 1 218 22 22 ASP N N 125.898 0.200 1 219 23 23 THR H H 10.101 0.020 1 220 23 23 THR HA H 4.562 0.020 1 221 23 23 THR HB H 4.747 0.020 1 222 23 23 THR HG2 H 1.038 0.020 1 223 23 23 THR C C 171.839 0.200 1 224 23 23 THR CA C 61.289 0.200 1 225 23 23 THR CB C 69.618 0.200 1 226 23 23 THR CG2 C 21.926 0.200 1 227 23 23 THR N N 112.530 0.200 1 228 24 24 CYS H H 8.038 0.020 1 229 24 24 CYS HA H 3.914 0.020 1 230 24 24 CYS HB2 H 2.908 0.020 2 231 24 24 CYS HB3 H 2.736 0.020 2 232 24 24 CYS C C 170.911 0.200 1 233 24 24 CYS CA C 58.917 0.200 1 234 24 24 CYS CB C 30.044 0.200 1 235 24 24 CYS N N 125.508 0.200 1 236 25 25 PRO HA H 4.275 0.020 1 237 25 25 PRO HB2 H 1.962 0.020 2 238 25 25 PRO HB3 H 2.239 0.020 2 239 25 25 PRO HG2 H 1.880 0.020 2 240 25 25 PRO HG3 H 1.851 0.020 2 241 25 25 PRO HD2 H 3.281 0.020 2 242 25 25 PRO HD3 H 3.342 0.020 2 243 25 25 PRO C C 175.750 0.200 1 244 25 25 PRO CA C 64.281 0.200 1 245 25 25 PRO CB C 32.004 0.200 1 246 25 25 PRO CG C 27.204 0.200 1 247 25 25 PRO CD C 50.268 0.200 1 248 26 26 ARG H H 9.149 0.020 1 249 26 26 ARG HA H 3.784 0.020 1 250 26 26 ARG HB2 H 1.820 0.020 2 251 26 26 ARG HB3 H 2.019 0.020 2 252 26 26 ARG HG2 H 1.420 0.020 2 253 26 26 ARG HG3 H 1.430 0.020 2 254 26 26 ARG C C 172.577 0.200 1 255 26 26 ARG CA C 58.371 0.200 1 256 26 26 ARG CB C 31.790 0.200 1 257 26 26 ARG CG C 29.695 0.200 1 258 26 26 ARG N N 120.266 0.200 1 259 27 27 ALA H H 7.028 0.020 1 260 27 27 ALA HA H 5.587 0.020 1 261 27 27 ALA HB H 1.064 0.020 1 262 27 27 ALA C C 174.834 0.200 1 263 27 27 ALA CA C 50.118 0.200 1 264 27 27 ALA CB C 24.484 0.200 1 265 27 27 ALA N N 118.478 0.200 1 266 28 28 TYR H H 8.877 0.020 1 267 28 28 TYR HA H 5.490 0.020 1 268 28 28 TYR HB2 H 3.021 0.020 2 269 28 28 TYR HB3 H 2.519 0.020 2 270 28 28 TYR HD1 H 7.094 0.020 3 271 28 28 TYR HD2 H 7.094 0.020 3 272 28 28 TYR HE1 H 6.907 0.020 3 273 28 28 TYR HE2 H 6.907 0.020 3 274 28 28 TYR C C 176.022 0.200 1 275 28 28 TYR CA C 57.434 0.200 1 276 28 28 TYR CB C 44.518 0.200 1 277 28 28 TYR N N 113.587 0.200 1 278 29 29 HIS H H 9.506 0.020 1 279 29 29 HIS HA H 4.970 0.020 1 280 29 29 HIS HB2 H 3.513 0.020 2 281 29 29 HIS HB3 H 3.764 0.020 2 282 29 29 HIS HD2 H 7.412 0.020 1 283 29 29 HIS HE1 H 7.412 0.020 1 284 29 29 HIS C C 176.604 0.200 1 285 29 29 HIS CA C 57.863 0.200 1 286 29 29 HIS CB C 31.390 0.200 1 287 29 29 HIS N N 119.280 0.200 1 288 30 30 MET H H 9.379 0.020 1 289 30 30 MET HA H 3.991 0.020 1 290 30 30 MET HB2 H 2.352 0.020 2 291 30 30 MET HB3 H 2.512 0.020 2 292 30 30 MET HG2 H 1.994 0.020 2 293 30 30 MET HG3 H 2.072 0.020 2 294 30 30 MET HE H 2.020 0.020 1 295 30 30 MET C C 177.661 0.200 1 296 30 30 MET CA C 60.478 0.200 1 297 30 30 MET CB C 32.711 0.200 1 298 30 30 MET CE C 17.393 0.200 1 299 30 30 MET N N 124.023 0.200 1 300 31 31 VAL H H 8.166 0.020 1 301 31 31 VAL HA H 4.049 0.020 1 302 31 31 VAL HB H 2.220 0.020 1 303 31 31 VAL HG1 H 1.018 0.020 2 304 31 31 VAL HG2 H 1.038 0.020 2 305 31 31 VAL C C 176.104 0.200 1 306 31 31 VAL CA C 64.201 0.200 1 307 31 31 VAL CB C 31.553 0.200 1 308 31 31 VAL CG1 C 20.100 0.200 2 309 31 31 VAL CG2 C 21.099 0.200 2 310 31 31 VAL N N 110.552 0.200 1 311 32 32 CYS H H 6.909 0.020 1 312 32 32 CYS HA H 4.218 0.020 1 313 32 32 CYS HB2 H 3.108 0.020 2 314 32 32 CYS HB3 H 3.138 0.020 2 315 32 32 CYS C C 175.446 0.200 1 316 32 32 CYS CA C 62.320 0.200 1 317 32 32 CYS CB C 29.722 0.200 1 318 32 32 CYS N N 117.603 0.200 1 319 33 33 LEU H H 7.473 0.020 1 320 33 33 LEU HA H 4.318 0.020 1 321 33 33 LEU HB2 H 1.991 0.020 2 322 33 33 LEU HB3 H 1.573 0.020 2 323 33 33 LEU HG H 1.689 0.020 1 324 33 33 LEU HD1 H 0.711 0.020 2 325 33 33 LEU HD2 H 0.699 0.020 2 326 33 33 LEU C C 176.568 0.200 1 327 33 33 LEU CA C 56.411 0.200 1 328 33 33 LEU CB C 43.226 0.200 1 329 33 33 LEU CG C 26.824 0.200 1 330 33 33 LEU CD1 C 25.150 0.200 2 331 33 33 LEU CD2 C 24.112 0.200 2 332 33 33 LEU N N 119.211 0.200 1 333 34 34 ASP H H 8.021 0.020 1 334 34 34 ASP HA H 4.792 0.020 1 335 34 34 ASP HB2 H 2.661 0.020 2 336 34 34 ASP HB3 H 2.774 0.020 2 337 34 34 ASP C C 173.617 0.200 1 338 34 34 ASP CA C 52.211 0.200 1 339 34 34 ASP CB C 42.459 0.200 1 340 34 34 ASP N N 115.939 0.200 1 341 35 35 PRO HA H 4.431 0.020 1 342 35 35 PRO HB2 H 1.989 0.020 2 343 35 35 PRO HB3 H 2.374 0.020 2 344 35 35 PRO HG2 H 2.013 0.020 2 345 35 35 PRO HG3 H 2.098 0.020 2 346 35 35 PRO HD2 H 3.749 0.020 2 347 35 35 PRO HD3 H 3.924 0.020 2 348 35 35 PRO C C 176.008 0.200 1 349 35 35 PRO CA C 64.490 0.200 1 350 35 35 PRO CB C 32.216 0.200 1 351 35 35 PRO CG C 27.174 0.200 1 352 35 35 PRO CD C 51.024 0.200 1 353 36 36 ASP H H 8.313 0.020 1 354 36 36 ASP HA H 4.728 0.020 1 355 36 36 ASP HB2 H 2.561 0.020 2 356 36 36 ASP HB3 H 2.773 0.020 2 357 36 36 ASP C C 175.462 0.200 1 358 36 36 ASP CA C 54.297 0.200 1 359 36 36 ASP CB C 41.350 0.200 1 360 36 36 ASP N N 115.453 0.200 1 361 37 37 MET H H 7.705 0.020 1 362 37 37 MET HA H 4.158 0.020 1 363 37 37 MET HB2 H 2.021 0.020 2 364 37 37 MET HB3 H 2.054 0.020 2 365 37 37 MET HG2 H 2.515 0.020 2 366 37 37 MET HG3 H 2.481 0.020 2 367 37 37 MET C C 174.878 0.200 1 368 37 37 MET CA C 57.070 0.200 1 369 37 37 MET CB C 33.283 0.200 1 370 37 37 MET CG C 32.125 0.200 1 371 37 37 MET N N 121.229 0.200 1 372 38 38 GLU H H 8.581 0.020 1 373 38 38 GLU HA H 4.258 0.020 1 374 38 38 GLU HB2 H 1.920 0.020 2 375 38 38 GLU HB3 H 2.011 0.020 2 376 38 38 GLU HG2 H 2.164 0.020 2 377 38 38 GLU HG3 H 2.250 0.020 2 378 38 38 GLU C C 175.032 0.200 1 379 38 38 GLU CA C 57.040 0.200 1 380 38 38 GLU CB C 31.637 0.200 1 381 38 38 GLU CG C 36.493 0.200 1 382 38 38 GLU N N 123.434 0.200 1 383 39 39 LYS H H 7.667 0.020 1 384 39 39 LYS HA H 4.365 0.020 1 385 39 39 LYS HB2 H 1.604 0.020 2 386 39 39 LYS HB3 H 1.742 0.020 2 387 39 39 LYS HG2 H 1.313 0.020 2 388 39 39 LYS HG3 H 1.292 0.020 2 389 39 39 LYS HD3 H 1.569 0.020 1 390 39 39 LYS HE3 H 2.888 0.020 1 391 39 39 LYS C C 173.632 0.200 1 392 39 39 LYS CA C 54.860 0.200 1 393 39 39 LYS CB C 34.698 0.200 1 394 39 39 LYS CG C 24.144 0.200 1 395 39 39 LYS CD C 29.147 0.200 1 396 39 39 LYS CE C 42.194 0.200 1 397 39 39 LYS N N 118.104 0.200 1 398 40 40 ALA H H 8.425 0.020 1 399 40 40 ALA HA H 4.279 0.020 1 400 40 40 ALA HB H 1.269 0.020 1 401 40 40 ALA C C 174.641 0.200 1 402 40 40 ALA CA C 50.789 0.200 1 403 40 40 ALA CB C 17.269 0.200 1 404 40 40 ALA N N 125.538 0.200 1 405 41 41 PRO HA H 4.224 0.020 1 406 41 41 PRO HB2 H 1.664 0.020 2 407 41 41 PRO HB3 H 2.153 0.020 2 408 41 41 PRO HG2 H 1.209 0.020 2 409 41 41 PRO HG3 H 1.350 0.020 2 410 41 41 PRO HD2 H 3.429 0.020 2 411 41 41 PRO HD3 H 3.225 0.020 2 412 41 41 PRO CA C 63.355 0.200 1 413 41 41 PRO CB C 32.278 0.200 1 414 41 41 PRO CG C 26.978 0.200 1 415 41 41 PRO CD C 50.200 0.200 1 416 42 42 GLU H H 8.368 0.020 1 417 42 42 GLU HA H 4.368 0.020 1 418 42 42 GLU HB2 H 1.915 0.020 2 419 42 42 GLU HB3 H 2.038 0.020 2 420 42 42 GLU HG3 H 2.251 0.020 1 421 42 42 GLU CA C 56.334 0.200 1 422 42 42 GLU CB C 30.925 0.200 1 423 42 42 GLU CG C 36.447 0.200 1 424 42 42 GLU N N 120.411 0.200 1 425 43 43 GLY H H 8.297 0.020 1 426 43 43 GLY HA2 H 3.910 0.020 2 427 43 43 GLY HA3 H 4.026 0.020 2 428 43 43 GLY C C 172.671 0.200 1 429 43 43 GLY CA C 44.786 0.200 1 430 43 43 GLY N N 109.655 0.200 1 431 44 44 LYS H H 8.158 0.020 1 432 44 44 LYS HA H 4.440 0.020 1 433 44 44 LYS HB2 H 1.660 0.020 2 434 44 44 LYS HB3 H 1.562 0.020 2 435 44 44 LYS HG2 H 1.289 0.020 2 436 44 44 LYS HG3 H 1.306 0.020 2 437 44 44 LYS HD3 H 1.459 0.020 1 438 44 44 LYS HE3 H 2.851 0.020 1 439 44 44 LYS C C 175.823 0.200 1 440 44 44 LYS CA C 56.272 0.200 1 441 44 44 LYS CB C 32.677 0.200 1 442 44 44 LYS CG C 24.728 0.200 1 443 44 44 LYS N N 120.471 0.200 1 444 45 45 TRP H H 9.974 0.020 1 445 45 45 TRP HA H 4.677 0.020 1 446 45 45 TRP HB2 H 2.949 0.020 2 447 45 45 TRP HB3 H 3.313 0.020 2 448 45 45 TRP HD1 H 7.291 0.020 1 449 45 45 TRP HE1 H 9.825 0.020 1 450 45 45 TRP HE3 H 7.569 0.020 1 451 45 45 TRP HZ2 H 7.086 0.020 1 452 45 45 TRP HZ3 H 6.623 0.020 1 453 45 45 TRP HH2 H 6.469 0.020 1 454 45 45 TRP C C 172.661 0.200 1 455 45 45 TRP CA C 59.095 0.200 1 456 45 45 TRP CB C 31.002 0.200 1 457 45 45 TRP N N 127.780 0.200 1 458 45 45 TRP NE1 N 128.289 0.200 1 459 46 46 SER H H 7.260 0.020 1 460 46 46 SER HA H 5.103 0.020 1 461 46 46 SER HB2 H 3.203 0.020 2 462 46 46 SER HB3 H 3.394 0.020 2 463 46 46 SER C C 171.762 0.200 1 464 46 46 SER CA C 57.009 0.200 1 465 46 46 SER CB C 65.214 0.200 1 466 46 46 SER N N 121.250 0.200 1 467 47 47 CYS H H 9.104 0.020 1 468 47 47 CYS HA H 3.445 0.020 1 469 47 47 CYS HB2 H 2.311 0.020 2 470 47 47 CYS HB3 H 3.089 0.020 2 471 47 47 CYS C C 172.374 0.200 1 472 47 47 CYS CA C 57.001 0.200 1 473 47 47 CYS CB C 31.196 0.200 1 474 47 47 CYS N N 127.578 0.200 1 475 48 48 PRO HA H 4.186 0.020 1 476 48 48 PRO HB2 H 2.374 0.020 2 477 48 48 PRO HB3 H 1.793 0.020 2 478 48 48 PRO HG2 H 1.813 0.020 2 479 48 48 PRO HG3 H 1.923 0.020 2 480 48 48 PRO C C 178.486 0.200 1 481 48 48 PRO CA C 65.394 0.200 1 482 48 48 PRO CB C 32.309 0.200 1 483 48 48 PRO CG C 28.102 0.200 1 484 49 49 HIS H H 8.174 0.020 1 485 49 49 HIS HA H 4.138 0.020 1 486 49 49 HIS HB2 H 3.150 0.020 2 487 49 49 HIS HB3 H 3.127 0.020 2 488 49 49 HIS C C 176.685 0.200 1 489 49 49 HIS CA C 60.883 0.200 1 490 49 49 HIS CB C 30.673 0.200 1 491 49 49 HIS N N 118.535 0.200 1 492 50 50 CYS H H 8.291 0.020 1 493 50 50 CYS HA H 3.772 0.020 1 494 50 50 CYS HB2 H 2.553 0.020 2 495 50 50 CYS HB3 H 3.015 0.020 2 496 50 50 CYS C C 178.026 0.200 1 497 50 50 CYS CA C 64.800 0.200 1 498 50 50 CYS CB C 28.279 0.200 1 499 50 50 CYS N N 123.017 0.200 1 500 51 51 GLU H H 8.263 0.020 1 501 51 51 GLU HA H 3.856 0.020 1 502 51 51 GLU HB2 H 1.856 0.020 2 503 51 51 GLU HB3 H 1.874 0.020 2 504 51 51 GLU HG2 H 2.117 0.020 2 505 51 51 GLU HG3 H 1.894 0.020 2 506 51 51 GLU C C 177.531 0.200 1 507 51 51 GLU CA C 59.217 0.200 1 508 51 51 GLU CB C 30.116 0.200 1 509 51 51 GLU CG C 36.629 0.200 1 510 51 51 GLU N N 117.125 0.200 1 511 52 52 LYS H H 7.507 0.020 1 512 52 52 LYS HA H 4.097 0.020 1 513 52 52 LYS HB2 H 1.793 0.020 2 514 52 52 LYS HB3 H 1.817 0.020 2 515 52 52 LYS HG2 H 1.372 0.020 2 516 52 52 LYS HG3 H 1.457 0.020 2 517 52 52 LYS HD3 H 1.577 0.020 1 518 52 52 LYS HE2 H 2.997 0.020 2 519 52 52 LYS HE3 H 2.941 0.020 2 520 52 52 LYS C C 177.206 0.200 1 521 52 52 LYS CA C 58.369 0.200 1 522 52 52 LYS CB C 33.218 0.200 1 523 52 52 LYS CG C 24.984 0.200 1 524 52 52 LYS CD C 29.221 0.200 1 525 52 52 LYS CE C 42.336 0.200 1 526 52 52 LYS N N 117.379 0.200 1 527 53 53 GLU H H 8.099 0.020 1 528 53 53 GLU HA H 4.242 0.020 1 529 53 53 GLU HB2 H 2.059 0.020 2 530 53 53 GLU HB3 H 1.597 0.020 2 531 53 53 GLU HG2 H 2.177 0.020 2 532 53 53 GLU HG3 H 1.948 0.020 2 533 53 53 GLU C C 176.416 0.200 1 534 53 53 GLU CA C 56.525 0.200 1 535 53 53 GLU CB C 30.370 0.200 1 536 53 53 GLU CG C 35.902 0.200 1 537 53 53 GLU N N 115.747 0.200 1 538 54 54 GLY H H 7.616 0.020 1 539 54 54 GLY HA2 H 3.773 0.020 2 540 54 54 GLY HA3 H 4.186 0.020 2 541 54 54 GLY C C 173.522 0.200 1 542 54 54 GLY CA C 44.921 0.200 1 543 54 54 GLY N N 107.955 0.200 1 544 55 55 ILE H H 7.782 0.020 1 545 55 55 ILE HA H 4.257 0.020 1 546 55 55 ILE HB H 1.875 0.020 1 547 55 55 ILE HG12 H 1.129 0.020 2 548 55 55 ILE HG13 H 1.302 0.020 2 549 55 55 ILE HG2 H 0.851 0.020 1 550 55 55 ILE HD1 H 0.814 0.020 1 551 55 55 ILE C C 175.001 0.200 1 552 55 55 ILE CA C 61.727 0.200 1 553 55 55 ILE CB C 38.890 0.200 1 554 55 55 ILE CG1 C 26.410 0.200 1 555 55 55 ILE CG2 C 17.768 0.200 1 556 55 55 ILE CD1 C 13.410 0.200 1 557 55 55 ILE N N 117.482 0.200 1 558 56 56 GLN H H 7.999 0.020 1 559 56 56 GLN HA H 4.392 0.020 1 560 56 56 GLN HB2 H 2.276 0.020 2 561 56 56 GLN HB3 H 1.845 0.020 2 562 56 56 GLN HG3 H 2.292 0.020 1 563 56 56 GLN HE21 H 7.519 0.020 1 564 56 56 GLN HE22 H 6.832 0.020 1 565 56 56 GLN C C 175.123 0.200 1 566 56 56 GLN CA C 56.193 0.200 1 567 56 56 GLN CB C 29.961 0.200 1 568 56 56 GLN CG C 34.158 0.200 1 569 56 56 GLN CD C 179.293 0.200 1 570 56 56 GLN N N 121.844 0.200 1 571 56 56 GLN NE2 N 110.955 0.200 1 572 57 57 TRP H H 8.148 0.020 1 573 57 57 TRP HA H 4.642 0.020 1 574 57 57 TRP HB2 H 3.126 0.020 2 575 57 57 TRP HB3 H 3.274 0.020 2 576 57 57 TRP HD1 H 7.131 0.020 1 577 57 57 TRP HE1 H 9.944 0.020 1 578 57 57 TRP HE3 H 7.466 0.020 1 579 57 57 TRP HZ2 H 7.177 0.020 1 580 57 57 TRP HZ3 H 7.033 0.020 1 581 57 57 TRP HH2 H 6.839 0.020 1 582 57 57 TRP C C 174.121 0.200 1 583 57 57 TRP CA C 56.666 0.200 1 584 57 57 TRP CB C 29.533 0.200 1 585 57 57 TRP N N 119.994 0.200 1 586 57 57 TRP NE1 N 128.663 0.200 1 587 58 58 GLU H H 8.060 0.020 1 588 58 58 GLU HA H 4.178 0.020 1 589 58 58 GLU HB2 H 1.793 0.020 2 590 58 58 GLU HB3 H 1.926 0.020 2 591 58 58 GLU HG2 H 2.147 0.020 2 592 58 58 GLU HG3 H 2.160 0.020 2 593 58 58 GLU C C 175.188 0.200 1 594 58 58 GLU CA C 56.173 0.200 1 595 58 58 GLU CB C 30.903 0.200 1 596 58 58 GLU CG C 36.290 0.200 1 597 58 58 GLU N N 119.334 0.200 1 598 59 59 ALA H H 8.303 0.020 1 599 59 59 ALA HA H 4.298 0.020 1 600 59 59 ALA HB H 1.353 0.020 1 601 59 59 ALA C C 176.001 0.200 1 602 59 59 ALA CA C 52.253 0.200 1 603 59 59 ALA CB C 19.170 0.200 1 604 59 59 ALA N N 124.374 0.200 1 605 60 60 LYS H H 8.376 0.020 1 606 60 60 LYS HA H 4.240 0.020 1 607 60 60 LYS HB2 H 1.733 0.020 2 608 60 60 LYS HB3 H 1.789 0.020 2 609 60 60 LYS HG2 H 1.402 0.020 2 610 60 60 LYS HG3 H 1.409 0.020 2 611 60 60 LYS N N 120.803 0.200 1 612 61 61 GLU H H 8.272 0.020 1 613 61 61 GLU HA H 4.289 0.020 1 614 61 61 GLU HB2 H 2.076 0.020 2 615 61 61 GLU HB3 H 1.912 0.020 2 616 61 61 GLU HG2 H 2.237 0.020 2 617 61 61 GLU HG3 H 2.241 0.020 2 618 61 61 GLU C C 175.290 0.200 1 619 61 61 GLU CA C 56.489 0.200 1 620 61 61 GLU CB C 30.590 0.200 1 621 61 61 GLU CG C 36.367 0.200 1 622 61 61 GLU N N 120.714 0.200 1 623 62 62 ASP H H 8.436 0.020 1 624 62 62 ASP HA H 4.613 0.020 1 625 62 62 ASP HB2 H 2.602 0.020 2 626 62 62 ASP HB3 H 2.710 0.020 2 627 62 62 ASP C C 175.183 0.200 1 628 62 62 ASP CA C 54.369 0.200 1 629 62 62 ASP CB C 41.443 0.200 1 630 62 62 ASP N N 120.832 0.200 1 631 63 63 ASN H H 8.469 0.020 1 632 63 63 ASN HA H 4.622 0.020 1 633 63 63 ASN HB2 H 2.792 0.020 2 634 63 63 ASN HB3 H 2.849 0.020 2 635 63 63 ASN HD21 H 7.585 0.020 1 636 63 63 ASN HD22 H 6.909 0.020 1 637 63 63 ASN C C 174.714 0.200 1 638 63 63 ASN CA C 53.434 0.200 1 639 63 63 ASN CB C 39.124 0.200 1 640 63 63 ASN N N 119.125 0.200 1 641 63 63 ASN ND2 N 111.900 0.200 1 642 64 64 SER H H 8.403 0.020 1 643 64 64 SER HA H 4.419 0.020 1 644 64 64 SER HB2 H 3.912 0.020 2 645 64 64 SER HB3 H 3.878 0.020 2 646 64 64 SER C C 174.025 0.200 1 647 64 64 SER CA C 58.971 0.200 1 648 64 64 SER CB C 63.856 0.200 1 649 64 64 SER N N 115.674 0.200 1 650 65 65 GLU H H 8.462 0.020 1 651 65 65 GLU HA H 4.315 0.020 1 652 65 65 GLU HB2 H 1.952 0.020 2 653 65 65 GLU HB3 H 2.092 0.020 2 654 65 65 GLU HG3 H 2.264 0.020 1 655 65 65 GLU C C 176.203 0.200 1 656 65 65 GLU CA C 56.941 0.200 1 657 65 65 GLU CB C 30.415 0.200 1 658 65 65 GLU CG C 36.420 0.200 1 659 65 65 GLU N N 121.557 0.200 1 660 66 66 GLY H H 8.345 0.020 1 661 66 66 GLY HA2 H 3.965 0.020 2 662 66 66 GLY HA3 H 3.960 0.020 2 663 66 66 GLY C C 173.210 0.200 1 664 66 66 GLY CA C 45.357 0.200 1 665 66 66 GLY N N 108.734 0.200 1 666 67 67 GLU H H 8.207 0.020 1 667 67 67 GLU HA H 4.307 0.020 1 668 67 67 GLU HB2 H 2.018 0.020 2 669 67 67 GLU HB3 H 2.037 0.020 2 670 67 67 GLU HG2 H 2.205 0.020 2 671 67 67 GLU HG3 H 2.219 0.020 2 672 67 67 GLU C C 175.614 0.200 1 673 67 67 GLU CA C 56.426 0.200 1 674 67 67 GLU CB C 30.857 0.200 1 675 67 67 GLU CG C 36.364 0.200 1 676 67 67 GLU N N 119.480 0.200 1 677 68 68 GLU H H 8.401 0.020 1 678 68 68 GLU HA H 4.272 0.020 1 679 68 68 GLU HB2 H 1.893 0.020 2 680 68 68 GLU HB3 H 2.028 0.020 2 681 68 68 GLU HG2 H 2.238 0.020 2 682 68 68 GLU HG3 H 2.245 0.020 2 683 68 68 GLU C C 175.279 0.200 1 684 68 68 GLU CA C 56.550 0.200 1 685 68 68 GLU CB C 30.671 0.200 1 686 68 68 GLU CG C 36.379 0.200 1 687 68 68 GLU N N 121.175 0.200 1 688 69 69 ILE H H 8.294 0.020 1 689 69 69 ILE HA H 4.145 0.020 1 690 69 69 ILE HB H 1.840 0.020 1 691 69 69 ILE HG12 H 1.171 0.020 2 692 69 69 ILE HG13 H 1.469 0.020 2 693 69 69 ILE HG2 H 0.873 0.020 1 694 69 69 ILE HD1 H 0.852 0.020 1 695 69 69 ILE C C 175.214 0.200 1 696 69 69 ILE CA C 60.838 0.200 1 697 69 69 ILE CB C 38.573 0.200 1 698 69 69 ILE CG1 C 27.271 0.200 1 699 69 69 ILE CG2 C 17.582 0.200 1 700 69 69 ILE CD1 C 12.749 0.200 1 701 69 69 ILE N N 122.780 0.200 1 702 70 70 LEU H H 8.380 0.020 1 703 70 70 LEU HA H 4.409 0.020 1 704 70 70 LEU HB2 H 1.628 0.020 2 705 70 70 LEU HB3 H 1.583 0.020 2 706 70 70 LEU HG H 1.565 0.020 1 707 70 70 LEU HD1 H 0.926 0.020 2 708 70 70 LEU HD2 H 0.861 0.020 2 709 70 70 LEU C C 176.216 0.200 1 710 70 70 LEU CA C 54.933 0.200 1 711 70 70 LEU CB C 42.584 0.200 1 712 70 70 LEU CG C 27.125 0.200 1 713 70 70 LEU CD1 C 24.783 0.200 2 714 70 70 LEU CD2 C 23.701 0.200 2 715 70 70 LEU N N 126.762 0.200 1 716 71 71 GLU H H 8.340 0.020 1 717 71 71 GLU HA H 4.272 0.020 1 718 71 71 GLU HB2 H 1.901 0.020 2 719 71 71 GLU HB3 H 1.986 0.020 2 720 71 71 GLU HG2 H 2.218 0.020 2 721 71 71 GLU HG3 H 2.222 0.020 2 722 71 71 GLU C C 175.350 0.200 1 723 71 71 GLU CA C 56.424 0.200 1 724 71 71 GLU CB C 30.782 0.200 1 725 71 71 GLU CG C 36.391 0.200 1 726 71 71 GLU N N 121.567 0.200 1 727 72 72 GLU H H 8.443 0.020 1 728 72 72 GLU HA H 4.303 0.020 1 729 72 72 GLU HB2 H 2.031 0.020 2 730 72 72 GLU HB3 H 1.916 0.020 2 731 72 72 GLU HG2 H 2.208 0.020 2 732 72 72 GLU HG3 H 2.216 0.020 2 733 72 72 GLU CA C 56.461 0.200 1 734 72 72 GLU CB C 30.619 0.200 1 735 72 72 GLU CG C 36.468 0.200 1 736 72 72 GLU N N 121.920 0.200 1 737 73 73 VAL H H 8.268 0.020 1 738 73 73 VAL HA H 4.159 0.020 1 739 73 73 VAL HB H 2.105 0.020 1 740 73 73 VAL HG1 H 0.942 0.020 2 741 73 73 VAL HG2 H 0.946 0.020 2 742 73 73 VAL C C 175.961 0.200 1 743 73 73 VAL CA C 62.402 0.200 1 744 73 73 VAL CB C 32.966 0.200 1 745 73 73 VAL CG1 C 20.470 0.200 2 746 73 73 VAL CG2 C 21.266 0.200 2 747 73 73 VAL N N 120.685 0.200 1 748 74 74 GLY H H 8.491 0.020 1 749 74 74 GLY HA2 H 3.983 0.020 2 750 74 74 GLY HA3 H 3.973 0.020 2 751 74 74 GLY C C 173.613 0.200 1 752 74 74 GLY CA C 45.496 0.200 1 753 74 74 GLY N N 111.433 0.200 1 754 75 75 GLY H H 8.212 0.020 1 755 75 75 GLY HA2 H 3.935 0.020 2 756 75 75 GLY HA3 H 3.994 0.020 2 757 75 75 GLY C C 172.733 0.200 1 758 75 75 GLY CA C 44.907 0.200 1 759 75 75 GLY N N 107.770 0.200 1 760 76 76 ASP H H 8.356 0.020 1 761 76 76 ASP HA H 4.892 0.020 1 762 76 76 ASP HB2 H 2.482 0.020 2 763 76 76 ASP HB3 H 2.720 0.020 2 764 76 76 ASP CA C 52.600 0.200 1 765 76 76 ASP CB C 41.052 0.200 1 766 76 76 ASP N N 120.680 0.200 1 767 77 77 PRO HA H 4.417 0.020 1 768 77 77 PRO HB2 H 1.943 0.020 2 769 77 77 PRO HB3 H 2.296 0.020 2 770 77 77 PRO HG2 H 2.022 0.020 2 771 77 77 PRO HG3 H 2.022 0.020 2 772 77 77 PRO HD2 H 3.858 0.020 2 773 77 77 PRO HD3 H 3.741 0.020 2 774 77 77 PRO C C 176.401 0.200 1 775 77 77 PRO CA C 63.404 0.200 1 776 77 77 PRO CB C 32.281 0.200 1 777 77 77 PRO CG C 27.339 0.200 1 778 77 77 PRO CD C 50.787 0.200 1 779 78 78 GLU H H 8.511 0.020 1 780 78 78 GLU HA H 4.233 0.020 1 781 78 78 GLU HB2 H 2.044 0.020 2 782 78 78 GLU HB3 H 1.912 0.020 2 783 78 78 GLU HG2 H 2.292 0.020 2 784 78 78 GLU HG3 H 2.234 0.020 2 785 78 78 GLU C C 175.943 0.200 1 786 78 78 GLU CA C 56.505 0.200 1 787 78 78 GLU CB C 33.371 0.200 1 788 78 78 GLU CG C 36.415 0.200 1 789 78 78 GLU N N 119.671 0.200 1 790 79 79 GLU H H 8.495 0.020 1 791 79 79 GLU HA H 4.277 0.020 1 792 79 79 GLU HB2 H 1.987 0.020 2 793 79 79 GLU HB3 H 1.911 0.020 2 794 79 79 GLU HG2 H 2.226 0.020 2 795 79 79 GLU HG3 H 2.233 0.020 2 796 79 79 GLU CA C 56.505 0.200 1 797 79 79 GLU CB C 30.594 0.200 1 798 79 79 GLU CG C 36.415 0.200 1 799 79 79 GLU N N 121.593 0.200 1 800 81 81 ASP HA H 4.562 0.020 1 801 81 81 ASP HB2 H 2.638 0.020 2 802 81 81 ASP HB3 H 2.591 0.020 2 803 82 82 ASP H H 8.290 0.020 1 804 82 82 ASP HA H 4.545 0.020 1 805 82 82 ASP HB2 H 2.647 0.020 2 806 82 82 ASP HB3 H 2.599 0.020 2 807 82 82 ASP CA C 54.281 0.200 1 808 82 82 ASP CB C 41.299 0.200 1 809 82 82 ASP N N 119.830 0.200 1 810 83 83 HIS H H 8.193 0.020 1 811 83 83 HIS HA H 4.613 0.020 1 812 83 83 HIS HB2 H 3.093 0.020 2 813 83 83 HIS HB3 H 3.160 0.020 2 814 83 83 HIS CA C 56.004 0.200 1 815 83 83 HIS CB C 30.160 0.200 1 816 83 83 HIS N N 118.209 0.200 1 817 84 84 HIS C C 176.500 0.200 1 818 84 84 HIS CA C 57.288 0.200 1 819 84 84 HIS CB C 30.258 0.200 1 820 85 85 MET H H 8.560 0.020 1 821 85 85 MET HA H 4.228 0.020 1 822 85 85 MET HB2 H 1.807 0.020 2 823 85 85 MET HB3 H 1.862 0.020 2 824 85 85 MET HG2 H 2.524 0.020 2 825 85 85 MET HG3 H 2.537 0.020 2 826 85 85 MET C C 175.936 0.200 1 827 85 85 MET CA C 56.059 0.200 1 828 85 85 MET CB C 33.449 0.200 1 829 85 85 MET CG C 31.851 0.200 1 830 85 85 MET N N 118.963 0.200 1 831 86 86 GLU H H 8.701 0.020 1 832 86 86 GLU HA H 4.121 0.020 1 833 86 86 GLU HB2 H 1.989 0.020 2 834 86 86 GLU HB3 H 1.777 0.020 2 835 86 86 GLU HG2 H 2.062 0.020 2 836 86 86 GLU HG3 H 2.164 0.020 2 837 86 86 GLU C C 173.259 0.200 1 838 86 86 GLU CA C 56.253 0.200 1 839 86 86 GLU CB C 29.762 0.200 1 840 86 86 GLU CG C 36.415 0.200 1 841 86 86 GLU N N 120.523 0.200 1 842 87 87 PHE H H 6.942 0.020 1 843 87 87 PHE HA H 4.474 0.020 1 844 87 87 PHE HB2 H 2.456 0.020 2 845 87 87 PHE HB3 H 2.702 0.020 2 846 87 87 PHE HD1 H 6.929 0.020 3 847 87 87 PHE HD2 H 6.929 0.020 3 848 87 87 PHE HE1 H 7.264 0.020 3 849 87 87 PHE HE2 H 7.264 0.020 3 850 87 87 PHE C C 171.278 0.200 1 851 87 87 PHE CA C 54.574 0.200 1 852 87 87 PHE CB C 41.373 0.200 1 853 87 87 PHE N N 114.419 0.200 1 854 88 88 CYS H H 8.252 0.020 1 855 88 88 CYS HA H 3.894 0.020 1 856 88 88 CYS HB2 H 1.865 0.020 2 857 88 88 CYS HB3 H 3.333 0.020 2 858 88 88 CYS C C 176.862 0.200 1 859 88 88 CYS CA C 57.622 0.200 1 860 88 88 CYS CB C 31.554 0.200 1 861 88 88 CYS N N 120.075 0.200 1 862 89 89 ARG H H 8.612 0.020 1 863 89 89 ARG HA H 3.918 0.020 1 864 89 89 ARG HB2 H 1.625 0.020 2 865 89 89 ARG HB3 H 1.459 0.020 2 866 89 89 ARG HG2 H 1.628 0.020 2 867 89 89 ARG HG3 H 1.700 0.020 2 868 89 89 ARG HD2 H 3.140 0.020 2 869 89 89 ARG HD3 H 3.251 0.020 2 870 89 89 ARG C C 175.967 0.200 1 871 89 89 ARG CA C 58.581 0.200 1 872 89 89 ARG CB C 30.990 0.200 1 873 89 89 ARG CG C 27.450 0.200 1 874 89 89 ARG CD C 43.674 0.200 1 875 89 89 ARG N N 127.580 0.200 1 876 90 90 VAL H H 8.862 0.020 1 877 90 90 VAL HA H 3.992 0.020 1 878 90 90 VAL HB H 2.284 0.020 1 879 90 90 VAL HG1 H 1.297 0.020 2 880 90 90 VAL HG2 H 1.125 0.020 2 881 90 90 VAL C C 176.308 0.200 1 882 90 90 VAL CA C 65.523 0.200 1 883 90 90 VAL CB C 33.294 0.200 1 884 90 90 VAL CG1 C 21.890 0.200 2 885 90 90 VAL CG2 C 20.696 0.200 2 886 90 90 VAL N N 119.342 0.200 1 887 91 91 CYS H H 8.081 0.020 1 888 91 91 CYS HA H 4.909 0.020 1 889 91 91 CYS HB2 H 3.376 0.020 2 890 91 91 CYS HB3 H 2.980 0.020 2 891 91 91 CYS C C 175.436 0.200 1 892 91 91 CYS CA C 59.395 0.200 1 893 91 91 CYS CB C 31.499 0.200 1 894 91 91 CYS N N 116.693 0.200 1 895 92 92 LYS H H 8.105 0.020 1 896 92 92 LYS HA H 4.155 0.020 1 897 92 92 LYS HB2 H 2.188 0.020 2 898 92 92 LYS HB3 H 1.815 0.020 2 899 92 92 LYS C C 173.638 0.200 1 900 92 92 LYS CA C 58.287 0.200 1 901 92 92 LYS CB C 28.919 0.200 1 902 92 92 LYS N N 115.695 0.200 1 903 93 93 ASP H H 8.570 0.020 1 904 93 93 ASP HA H 5.283 0.020 1 905 93 93 ASP HB2 H 2.985 0.020 2 906 93 93 ASP HB3 H 3.067 0.020 2 907 93 93 ASP C C 176.464 0.200 1 908 93 93 ASP CA C 53.317 0.200 1 909 93 93 ASP CB C 43.480 0.200 1 910 93 93 ASP N N 120.490 0.200 1 911 94 94 GLY H H 8.553 0.020 1 912 94 94 GLY HA2 H 4.492 0.020 2 913 94 94 GLY HA3 H 3.868 0.020 2 914 94 94 GLY C C 173.496 0.200 1 915 94 94 GLY CA C 44.011 0.200 1 916 94 94 GLY N N 106.781 0.200 1 917 95 95 GLY H H 8.598 0.020 1 918 95 95 GLY HA2 H 4.529 0.020 2 919 95 95 GLY HA3 H 3.655 0.020 2 920 95 95 GLY C C 171.766 0.200 1 921 95 95 GLY CA C 44.796 0.200 1 922 95 95 GLY N N 109.506 0.200 1 923 96 96 GLU H H 8.751 0.020 1 924 96 96 GLU HA H 4.192 0.020 1 925 96 96 GLU HB2 H 2.016 0.020 2 926 96 96 GLU HB3 H 2.068 0.020 2 927 96 96 GLU HG2 H 2.195 0.020 2 928 96 96 GLU HG3 H 2.190 0.020 2 929 96 96 GLU C C 174.252 0.200 1 930 96 96 GLU CA C 56.678 0.200 1 931 96 96 GLU CB C 29.262 0.200 1 932 96 96 GLU CG C 36.467 0.200 1 933 96 96 GLU N N 123.875 0.200 1 934 97 97 LEU H H 7.984 0.020 1 935 97 97 LEU HA H 4.350 0.020 1 936 97 97 LEU HB2 H 0.904 0.020 2 937 97 97 LEU HB3 H 1.454 0.020 2 938 97 97 LEU HG H 1.220 0.020 1 939 97 97 LEU HD1 H -0.149 0.020 2 940 97 97 LEU HD2 H 0.427 0.020 2 941 97 97 LEU C C 174.667 0.200 1 942 97 97 LEU CA C 53.639 0.200 1 943 97 97 LEU CB C 44.409 0.200 1 944 97 97 LEU CG C 25.755 0.200 1 945 97 97 LEU CD1 C 22.425 0.200 2 946 97 97 LEU CD2 C 25.556 0.200 2 947 97 97 LEU N N 123.540 0.200 1 948 98 98 LEU H H 8.989 0.020 1 949 98 98 LEU HA H 4.346 0.020 1 950 98 98 LEU HB2 H 0.803 0.020 2 951 98 98 LEU HB3 H 1.260 0.020 2 952 98 98 LEU HG H 0.659 0.020 1 953 98 98 LEU HD1 H 0.386 0.020 2 954 98 98 LEU HD2 H -0.589 0.020 2 955 98 98 LEU C C 174.693 0.200 1 956 98 98 LEU CA C 53.817 0.200 1 957 98 98 LEU CB C 43.482 0.200 1 958 98 98 LEU CG C 26.161 0.200 1 959 98 98 LEU CD1 C 23.316 0.200 2 960 98 98 LEU CD2 C 25.541 0.200 2 961 98 98 LEU N N 123.998 0.200 1 962 99 99 CYS H H 8.485 0.020 1 963 99 99 CYS HA H 4.945 0.020 1 964 99 99 CYS HB2 H 2.246 0.020 2 965 99 99 CYS HB3 H 2.427 0.020 2 966 99 99 CYS C C 173.329 0.200 1 967 99 99 CYS CA C 58.076 0.200 1 968 99 99 CYS CB C 28.834 0.200 1 969 99 99 CYS N N 123.327 0.200 1 970 100 100 CYS H H 8.627 0.020 1 971 100 100 CYS HA H 4.651 0.020 1 972 100 100 CYS HB2 H 3.825 0.020 2 973 100 100 CYS HB3 H 2.735 0.020 2 974 100 100 CYS C C 175.592 0.200 1 975 100 100 CYS CA C 61.119 0.200 1 976 100 100 CYS CB C 30.778 0.200 1 977 100 100 CYS N N 125.987 0.200 1 978 101 101 ASP H H 9.063 0.020 1 979 101 101 ASP HA H 4.849 0.020 1 980 101 101 ASP HB2 H 2.708 0.020 2 981 101 101 ASP HB3 H 2.787 0.020 2 982 101 101 ASP C C 177.464 0.200 1 983 101 101 ASP CA C 57.915 0.200 1 984 101 101 ASP CB C 43.013 0.200 1 985 101 101 ASP N N 126.576 0.200 1 986 102 102 THR H H 9.685 0.020 1 987 102 102 THR HA H 4.625 0.020 1 988 102 102 THR HB H 4.602 0.020 1 989 102 102 THR HG2 H 1.042 0.020 1 990 102 102 THR C C 172.828 0.200 1 991 102 102 THR CA C 62.125 0.200 1 992 102 102 THR CB C 69.988 0.200 1 993 102 102 THR CG2 C 21.949 0.200 1 994 102 102 THR N N 110.705 0.200 1 995 103 103 CYS H H 8.204 0.020 1 996 103 103 CYS HA H 5.022 0.020 1 997 103 103 CYS HB2 H 2.687 0.020 2 998 103 103 CYS HB3 H 3.229 0.020 2 999 103 103 CYS CA C 58.444 0.200 1 1000 103 103 CYS CB C 30.980 0.200 1 1001 103 103 CYS N N 125.527 0.200 1 1002 104 104 PRO HA H 4.474 0.020 1 1003 104 104 PRO HB2 H 1.905 0.020 2 1004 104 104 PRO HB3 H 2.127 0.020 2 1005 104 104 PRO HD2 H 3.471 0.020 2 1006 104 104 PRO HD3 H 3.680 0.020 2 1007 104 104 PRO C C 175.869 0.200 1 1008 104 104 PRO CA C 63.615 0.200 1 1009 104 104 PRO CB C 31.584 0.200 1 1010 104 104 PRO CG C 27.539 0.200 1 1011 105 105 SER H H 9.117 0.020 1 1012 105 105 SER HA H 4.386 0.020 1 1013 105 105 SER HB2 H 3.808 0.020 2 1014 105 105 SER HB3 H 4.244 0.020 2 1015 105 105 SER C C 171.596 0.200 1 1016 105 105 SER CA C 61.377 0.200 1 1017 105 105 SER CB C 65.156 0.200 1 1018 105 105 SER N N 117.990 0.200 1 1019 106 106 SER H H 7.820 0.020 1 1020 106 106 SER HA H 5.731 0.020 1 1021 106 106 SER HB2 H 3.359 0.020 2 1022 106 106 SER HB3 H 3.529 0.020 2 1023 106 106 SER C C 171.380 0.200 1 1024 106 106 SER CA C 56.835 0.200 1 1025 106 106 SER CB C 66.279 0.200 1 1026 106 106 SER N N 116.685 0.200 1 1027 107 107 TYR H H 9.094 0.020 1 1028 107 107 TYR HA H 5.532 0.020 1 1029 107 107 TYR HB2 H 2.368 0.020 2 1030 107 107 TYR HB3 H 2.974 0.020 2 1031 107 107 TYR HD1 H 7.112 0.020 3 1032 107 107 TYR HD2 H 7.112 0.020 3 1033 107 107 TYR HE1 H 6.873 0.020 3 1034 107 107 TYR HE2 H 6.873 0.020 3 1035 107 107 TYR C C 175.660 0.200 1 1036 107 107 TYR CA C 57.078 0.200 1 1037 107 107 TYR CB C 44.389 0.200 1 1038 107 107 TYR N N 118.005 0.200 1 1039 108 108 HIS H H 8.607 0.020 1 1040 108 108 HIS HA H 4.852 0.020 1 1041 108 108 HIS HB2 H 3.279 0.020 2 1042 108 108 HIS HB3 H 2.650 0.020 2 1043 108 108 HIS HD2 H 7.451 0.020 1 1044 108 108 HIS HE1 H 7.393 0.020 1 1045 108 108 HIS C C 178.224 0.200 1 1046 108 108 HIS CA C 57.684 0.200 1 1047 108 108 HIS CB C 31.194 0.200 1 1048 108 108 HIS N N 118.426 0.200 1 1049 109 109 ILE H H 9.202 0.020 1 1050 109 109 ILE HA H 3.853 0.020 1 1051 109 109 ILE HB H 2.078 0.020 1 1052 109 109 ILE HG12 H 1.463 0.020 2 1053 109 109 ILE HG13 H 1.289 0.020 2 1054 109 109 ILE HG2 H 0.786 0.020 1 1055 109 109 ILE HD1 H 0.650 0.020 1 1056 109 109 ILE C C 176.104 0.200 1 1057 109 109 ILE CA C 65.943 0.200 1 1058 109 109 ILE CB C 36.436 0.200 1 1059 109 109 ILE CG2 C 19.159 0.200 1 1060 109 109 ILE CD1 C 13.263 0.200 1 1061 109 109 ILE N N 116.799 0.200 1 1062 110 110 HIS H H 6.976 0.020 1 1063 110 110 HIS HA H 4.779 0.020 1 1064 110 110 HIS HB2 H 3.052 0.020 2 1065 110 110 HIS HB3 H 3.412 0.020 2 1066 110 110 HIS C C 175.550 0.200 1 1067 110 110 HIS CA C 56.615 0.200 1 1068 110 110 HIS CB C 30.158 0.200 1 1069 110 110 HIS N N 111.221 0.200 1 1070 111 111 CYS H H 7.349 0.020 1 1071 111 111 CYS HA H 4.431 0.020 1 1072 111 111 CYS HB2 H 2.838 0.020 2 1073 111 111 CYS HB3 H 3.257 0.020 2 1074 111 111 CYS C C 174.373 0.200 1 1075 111 111 CYS CA C 61.359 0.200 1 1076 111 111 CYS CB C 30.406 0.200 1 1077 111 111 CYS N N 120.219 0.200 1 1078 112 112 LEU H H 6.474 0.020 1 1079 112 112 LEU HA H 4.156 0.020 1 1080 112 112 LEU HB2 H 1.453 0.020 2 1081 112 112 LEU HB3 H 1.701 0.020 2 1082 112 112 LEU HG H 0.795 0.020 1 1083 112 112 LEU HD1 H 0.816 0.020 2 1084 112 112 LEU HD2 H 0.528 0.020 2 1085 112 112 LEU C C 173.926 0.200 1 1086 112 112 LEU CA C 54.736 0.200 1 1087 112 112 LEU CB C 44.442 0.200 1 1088 112 112 LEU CG C 26.919 0.200 1 1089 112 112 LEU CD1 C 27.072 0.200 2 1090 112 112 LEU CD2 C 23.158 0.200 2 1091 112 112 LEU N N 119.233 0.200 1 1092 113 113 ASN H H 8.280 0.020 1 1093 113 113 ASN HA H 4.983 0.020 1 1094 113 113 ASN HB2 H 2.607 0.020 2 1095 113 113 ASN HB3 H 2.892 0.020 2 1096 113 113 ASN HD21 H 6.867 0.020 1 1097 113 113 ASN HD22 H 7.564 0.020 1 1098 113 113 ASN C C 172.225 0.200 1 1099 113 113 ASN CA C 49.736 0.200 1 1100 113 113 ASN CB C 41.031 0.200 1 1101 113 113 ASN CG C 176.917 0.200 1 1102 113 113 ASN N N 115.542 0.200 1 1103 113 113 ASN ND2 N 110.945 0.200 1 1104 114 114 PRO HA H 5.075 0.020 1 1105 114 114 PRO HB2 H 2.073 0.020 2 1106 114 114 PRO HB3 H 2.446 0.020 2 1107 114 114 PRO HG3 H 1.944 0.020 1 1108 114 114 PRO HD2 H 3.794 0.020 2 1109 114 114 PRO HD3 H 3.678 0.020 2 1110 114 114 PRO CA C 62.116 0.200 1 1111 114 114 PRO CB C 33.004 0.200 1 1112 114 114 PRO CG C 25.066 0.200 1 1113 114 114 PRO CD C 50.217 0.200 1 1114 115 115 PRO HA H 4.426 0.020 1 1115 115 115 PRO HB2 H 1.950 0.020 2 1116 115 115 PRO HB3 H 2.295 0.020 2 1117 115 115 PRO HG3 H 2.030 0.020 1 1118 115 115 PRO HD2 H 3.772 0.020 2 1119 115 115 PRO HD3 H 3.874 0.020 2 1120 115 115 PRO C C 176.891 0.200 1 1121 115 115 PRO CA C 62.910 0.200 1 1122 115 115 PRO CB C 32.385 0.200 1 1123 115 115 PRO CG C 27.410 0.200 1 1124 115 115 PRO CD C 50.365 0.200 1 1125 116 116 LEU H H 7.552 0.020 1 1126 116 116 LEU HA H 4.816 0.020 1 1127 116 116 LEU HB2 H 1.437 0.020 2 1128 116 116 LEU HB3 H 1.531 0.020 2 1129 116 116 LEU HG H 1.737 0.020 1 1130 116 116 LEU HD1 H 0.690 0.020 2 1131 116 116 LEU HD2 H 0.917 0.020 2 1132 116 116 LEU C C 175.762 0.200 1 1133 116 116 LEU CA C 51.759 0.200 1 1134 116 116 LEU CB C 42.977 0.200 1 1135 116 116 LEU CD1 C 25.644 0.200 2 1136 116 116 LEU CD2 C 22.917 0.200 2 1137 116 116 LEU N N 120.339 0.200 1 1138 117 117 PRO HA H 4.378 0.020 1 1139 117 117 PRO HB2 H 2.013 0.020 2 1140 117 117 PRO HB3 H 2.246 0.020 2 1141 117 117 PRO HD2 H 3.884 0.020 2 1142 117 117 PRO HD3 H 3.780 0.020 2 1143 117 117 PRO C C 175.583 0.200 1 1144 117 117 PRO CA C 63.738 0.200 1 1145 117 117 PRO CB C 32.190 0.200 1 1146 117 117 PRO CD C 50.346 0.200 1 1147 118 118 GLU H H 6.972 0.020 1 1148 118 118 GLU HA H 4.392 0.020 1 1149 118 118 GLU HB2 H 1.820 0.020 2 1150 118 118 GLU HB3 H 2.024 0.020 2 1151 118 118 GLU C C 173.836 0.200 1 1152 118 118 GLU CA C 53.870 0.200 1 1153 118 118 GLU CB C 32.623 0.200 1 1154 118 118 GLU CG C 34.973 0.200 1 1155 118 118 GLU N N 111.872 0.200 1 1156 119 119 ILE H H 8.641 0.020 1 1157 119 119 ILE HA H 3.929 0.020 1 1158 119 119 ILE HB H 1.777 0.020 1 1159 119 119 ILE HG12 H 1.073 0.020 2 1160 119 119 ILE HG13 H 1.586 0.020 2 1161 119 119 ILE HG2 H 0.905 0.020 1 1162 119 119 ILE HD1 H 0.780 0.020 1 1163 119 119 ILE C C 173.539 0.200 1 1164 119 119 ILE CA C 59.764 0.200 1 1165 119 119 ILE CB C 38.129 0.200 1 1166 119 119 ILE CG2 C 16.767 0.200 1 1167 119 119 ILE CD1 C 12.724 0.200 1 1168 119 119 ILE N N 122.949 0.200 1 1169 120 120 PRO HA H 4.467 0.020 1 1170 120 120 PRO HB2 H 1.970 0.020 2 1171 120 120 PRO HB3 H 2.322 0.020 2 1172 120 120 PRO HG2 H 1.858 0.020 2 1173 120 120 PRO HG3 H 1.806 0.020 2 1174 120 120 PRO HD2 H 3.407 0.020 2 1175 120 120 PRO HD3 H 3.672 0.020 2 1176 120 120 PRO C C 175.242 0.200 1 1177 120 120 PRO CA C 62.905 0.200 1 1178 120 120 PRO CB C 32.352 0.200 1 1179 120 120 PRO CG C 27.083 0.200 1 1180 120 120 PRO CD C 51.282 0.200 1 1181 121 121 ASN H H 8.520 0.020 1 1182 121 121 ASN HA H 4.781 0.020 1 1183 121 121 ASN HB2 H 2.784 0.020 2 1184 121 121 ASN HB3 H 2.759 0.020 2 1185 121 121 ASN HD21 H 6.921 0.020 1 1186 121 121 ASN HD22 H 7.587 0.020 1 1187 121 121 ASN C C 174.811 0.200 1 1188 121 121 ASN CA C 53.096 0.200 1 1189 121 121 ASN CB C 39.412 0.200 1 1190 121 121 ASN N N 118.026 0.200 1 1191 121 121 ASN ND2 N 111.730 0.200 1 1192 122 122 GLY H H 8.071 0.020 1 1193 122 122 GLY HA2 H 4.019 0.020 2 1194 122 122 GLY HA3 H 3.962 0.020 2 1195 122 122 GLY CA C 44.844 0.200 1 1196 122 122 GLY N N 109.065 0.200 1 1197 123 123 GLU H H 8.362 0.020 1 1198 123 123 GLU HA H 4.354 0.020 1 1199 123 123 GLU HB2 H 1.889 0.020 2 1200 123 123 GLU HB3 H 1.967 0.020 2 1201 123 123 GLU HG3 H 2.225 0.020 1 1202 123 123 GLU C C 175.214 0.200 1 1203 123 123 GLU CA C 57.400 0.200 1 1204 123 123 GLU CB C 30.662 0.200 1 1205 123 123 GLU CG C 36.722 0.200 1 1206 123 123 GLU N N 120.480 0.200 1 1207 124 124 TRP H H 9.067 0.020 1 1208 124 124 TRP HA H 4.518 0.020 1 1209 124 124 TRP HB2 H 2.957 0.020 2 1210 124 124 TRP HB3 H 3.219 0.020 2 1211 124 124 TRP HD1 H 6.873 0.020 1 1212 124 124 TRP HE1 H 9.810 0.020 1 1213 124 124 TRP HE3 H 7.293 0.020 1 1214 124 124 TRP HZ2 H 7.119 0.020 1 1215 124 124 TRP HZ3 H 6.689 0.020 1 1216 124 124 TRP HH2 H 6.528 0.020 1 1217 124 124 TRP C C 171.609 0.200 1 1218 124 124 TRP CA C 59.983 0.200 1 1219 124 124 TRP CB C 30.530 0.200 1 1220 124 124 TRP N N 125.556 0.200 1 1221 124 124 TRP NE1 N 128.189 0.200 1 1222 125 125 LEU H H 6.803 0.020 1 1223 125 125 LEU HA H 4.892 0.020 1 1224 125 125 LEU HB2 H 0.878 0.020 2 1225 125 125 LEU HB3 H 1.154 0.020 2 1226 125 125 LEU HG H 1.566 0.020 1 1227 125 125 LEU HD1 H 0.740 0.020 2 1228 125 125 LEU HD2 H 0.811 0.020 2 1229 125 125 LEU C C 174.407 0.200 1 1230 125 125 LEU CA C 52.226 0.200 1 1231 125 125 LEU CB C 44.322 0.200 1 1232 125 125 LEU CG C 27.590 0.200 1 1233 125 125 LEU CD1 C 24.161 0.200 2 1234 125 125 LEU CD2 C 25.266 0.200 2 1235 125 125 LEU N N 125.887 0.200 1 1236 126 126 CYS H H 9.082 0.020 1 1237 126 126 CYS HA H 3.476 0.020 1 1238 126 126 CYS HB2 H 3.283 0.020 2 1239 126 126 CYS HB3 H 2.444 0.020 2 1240 126 126 CYS CA C 57.090 0.200 1 1241 126 126 CYS CB C 29.805 0.200 1 1242 126 126 CYS N N 125.705 0.200 1 1243 127 127 PRO HA H 4.173 0.020 1 1244 127 127 PRO HB2 H 2.391 0.020 2 1245 127 127 PRO HB3 H 1.816 0.020 2 1246 127 127 PRO C C 177.857 0.200 1 1247 127 127 PRO CA C 65.302 0.200 1 1248 127 127 PRO CB C 32.365 0.200 1 1249 128 128 ARG H H 8.331 0.020 1 1250 128 128 ARG HA H 4.140 0.020 1 1251 128 128 ARG HB3 H 1.887 0.020 1 1252 128 128 ARG HG2 H 1.772 0.020 2 1253 128 128 ARG HG3 H 1.629 0.020 2 1254 128 128 ARG C C 177.427 0.200 1 1255 128 128 ARG CA C 58.337 0.200 1 1256 128 128 ARG CB C 30.899 0.200 1 1257 128 128 ARG CG C 28.108 0.200 1 1258 128 128 ARG CD C 43.532 0.200 1 1259 128 128 ARG N N 117.036 0.200 1 1260 129 129 CYS H H 7.999 0.020 1 1261 129 129 CYS HA H 4.002 0.020 1 1262 129 129 CYS HB2 H 2.815 0.020 2 1263 129 129 CYS HB3 H 2.619 0.020 2 1264 129 129 CYS C C 175.656 0.200 1 1265 129 129 CYS CA C 63.140 0.200 1 1266 129 129 CYS CB C 30.052 0.200 1 1267 129 129 CYS N N 120.915 0.200 1 1268 130 130 THR H H 7.618 0.020 1 1269 130 130 THR HA H 3.986 0.020 1 1270 130 130 THR HB H 4.043 0.020 1 1271 130 130 THR HG2 H 0.992 0.020 1 1272 130 130 THR C C 173.275 0.200 1 1273 130 130 THR CA C 62.956 0.200 1 1274 130 130 THR CB C 69.449 0.200 1 1275 130 130 THR N N 110.343 0.200 1 1276 131 131 CYS H H 7.553 0.020 1 1277 131 131 CYS HA H 4.574 0.020 1 1278 131 131 CYS HB2 H 2.765 0.020 2 1279 131 131 CYS HB3 H 2.910 0.020 2 1280 131 131 CYS CB C 27.599 0.200 1 1281 131 131 CYS N N 121.503 0.200 1 1282 132 132 PRO C C 175.865 0.200 1 1283 132 132 PRO CA C 62.874 0.200 1 1284 132 132 PRO CB C 32.138 0.200 1 1285 132 132 PRO CG C 27.269 0.200 1 1286 133 133 ALA H H 8.218 0.020 1 1287 133 133 ALA HA H 4.263 0.020 1 1288 133 133 ALA HB H 1.379 0.020 1 1289 133 133 ALA CA C 52.669 0.200 1 1290 133 133 ALA CB C 19.240 0.200 1 1291 133 133 ALA N N 122.344 0.200 1 1292 134 134 LEU H H 7.999 0.020 1 1293 134 134 LEU HA H 4.271 0.020 1 1294 134 134 LEU HB2 H 1.598 0.020 2 1295 134 134 LEU HB3 H 1.671 0.020 2 1296 134 134 LEU HD2 H 0.896 0.020 1 1297 134 134 LEU N N 118.876 0.200 1 1298 135 135 LYS H H 8.047 0.020 1 1299 135 135 LYS HA H 4.226 0.020 1 1300 135 135 LYS N N 119.992 0.200 1 stop_ save_