data_34233 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Solution structure of p300Taz2-p73TA1 ; _BMRB_accession_number 34233 _BMRB_flat_file_name bmr34233.str _Entry_type original _Submission_date 2018-01-11 _Accession_date 2018-01-11 _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 Gebel J. . . 2 Kazemi S. . . 3 Lohr F. . . 4 Guntert P. . . 5 Dotsch V. . . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 647 "13C chemical shifts" 402 "15N chemical shifts" 129 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2018-05-24 original BMRB . stop_ _Original_release_date 2018-05-21 save_ ############################# # Citation for this entry # ############################# save_citation_1 _Saveframe_category entry_citation _Citation_full . _Citation_title ; The regulation of the transcriptional activity in the p53 protein family depends on the organization of the transactivation domain ; _Citation_status 'in preparation' _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID ? loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Krauskopf K. . . 2 Gebel J. . . 3 Kazemi S. . . 4 Tuppi M. . . 5 Lohr F. . . 6 Schafer B. . . 7 Koch J. . . 8 Guntert P. . . 9 Dotsch V. . . 10 Kehrloesser S. . . stop_ _Journal_abbreviation Structure _Journal_volume . _Journal_issue . _Journal_ASTM STRUE6 _Journal_ISSN 0969-2126 _Journal_CSD 2005 _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first . _Page_last . _Year 2018 _Details . save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name 'Histone acetyltransferase p300,Tumor protein p73 (E.C.2.3.1.48,2.3.1.-)' _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label entity_1 $entity_1 'entity_2, 1' $entity_ZN 'entity_2, 2' $entity_ZN 'entity_2, 3' $entity_ZN stop_ _System_molecular_weight . _System_oligomer_state ? _System_paramagnetic no _System_thiol_state . _Database_query_date . _Details . save_ ######################## # Monomeric polymers # ######################## save_entity_1 _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common entity_1 _Molecular_mass 13867.793 _Mol_thiol_state . _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 130 _Mol_residue_sequence ; ATQSPGDSRRLSIQRAIQSL VHAAQCRNANCSLPSCQKMK RVVQHTKGCKRKTNGGCPIC KQLIALAAYHAKHCQENKCP VPFCLNIKQKGGSGGGTGGG SGTIEGRGDGGTTFEHLWSS LEPDSTYFDL ; loop_ _Residue_seq_code _Residue_label 1 ALA 2 THR 3 GLN 4 SER 5 PRO 6 GLY 7 ASP 8 SER 9 ARG 10 ARG 11 LEU 12 SER 13 ILE 14 GLN 15 ARG 16 ALA 17 ILE 18 GLN 19 SER 20 LEU 21 VAL 22 HIS 23 ALA 24 ALA 25 GLN 26 CYS 27 ARG 28 ASN 29 ALA 30 ASN 31 CYS 32 SER 33 LEU 34 PRO 35 SER 36 CYS 37 GLN 38 LYS 39 MET 40 LYS 41 ARG 42 VAL 43 VAL 44 GLN 45 HIS 46 THR 47 LYS 48 GLY 49 CYS 50 LYS 51 ARG 52 LYS 53 THR 54 ASN 55 GLY 56 GLY 57 CYS 58 PRO 59 ILE 60 CYS 61 LYS 62 GLN 63 LEU 64 ILE 65 ALA 66 LEU 67 ALA 68 ALA 69 TYR 70 HIS 71 ALA 72 LYS 73 HIS 74 CYS 75 GLN 76 GLU 77 ASN 78 LYS 79 CYS 80 PRO 81 VAL 82 PRO 83 PHE 84 CYS 85 LEU 86 ASN 87 ILE 88 LYS 89 GLN 90 LYS 91 GLY 92 GLY 93 SER 94 GLY 95 GLY 96 GLY 97 THR 98 GLY 99 GLY 100 GLY 101 SER 102 GLY 103 THR 104 ILE 105 GLU 106 GLY 107 ARG 108 GLY 109 ASP 110 GLY 111 GLY 112 THR 113 THR 114 PHE 115 GLU 116 HIS 117 LEU 118 TRP 119 SER 120 SER 121 LEU 122 GLU 123 PRO 124 ASP 125 SER 126 THR 127 TYR 128 PHE 129 ASP 130 LEU 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 "entity_ZN (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 $entity_1 Human 9606 Eukaryota Metazoa Homo sapiens 'EP300, P300, TP73, P73' stop_ save_ ######################### # Experimental source # ######################### save_experimental_source _Saveframe_category experimental_source loop_ _Mol_label _Production_method _Host_organism_name_common _Genus _Species _Strain _Vector_name $entity_1 'recombinant technology' . . . . . stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Saveframe_category sample _Sample_type solution _Details ; 700 uM [U-13C; U-15N] Fusion construct of p300 Taz2 and the transactivation domain 1 of p73, 25 mM MES, 50 mM NaCl, 0.5 mM TCEP, 95% H2O/5% D2O ; loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $entity_1 700 uM '[U-13C; U-15N]' MES 25 mM 'natural abundance' NaCl 50 mM 'natural abundance' TCEP 0.5 mM 'natural abundance' stop_ save_ ############################ # Computer software used # ############################ save_software_1 _Saveframe_category software _Name SPARKY _Version 3.114 loop_ _Vendor _Address _Electronic_address 'T. D. Goddard and D. G. Kneller' . . stop_ loop_ _Task 'chemical shift assignment' stop_ _Details . save_ save_software_2 _Saveframe_category software _Name CYANA _Version 3.9 loop_ _Vendor _Address _Electronic_address 'Guntert, Mumenthaler and Wuthrich' . . stop_ loop_ _Task 'structure calculation' stop_ _Details . save_ save_software_3 _Saveframe_category software _Name OPAL _Version . loop_ _Vendor _Address _Electronic_address 'Luginbuhl, Guntert, Billeter and Wuthrich' . . stop_ loop_ _Task refinement stop_ _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_NMR_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model 'AVNCE III' _Field_strength 600 _Details . save_ save_NMR_spectrometer_2 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model 'AVANCE III HD' _Field_strength 700 _Details . save_ save_NMR_spectrometer_3 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model 'AVANCE II' _Field_strength 950 _Details . save_ save_NMR_spectrometer_4 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model 'AVANCE III HD' _Field_strength 800 _Details . save_ ############################# # NMR applied experiments # ############################# save_3D_1H-15N_NOESY_1 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-15N NOESY' _Sample_label $sample_1 save_ save_3D_1H-13C_NOESY_aliphatic_2 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-13C NOESY aliphatic' _Sample_label $sample_1 save_ save_3D_1H-13C_NOESY_aromatic_3 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-13C NOESY aromatic' _Sample_label $sample_1 save_ save_3D_HNCACB_4 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCACB' _Sample_label $sample_1 save_ save_3D_HN(COCA)CB_5 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HN(COCA)CB' _Sample_label $sample_1 save_ save_[13Cmethyl,1H]-SOFAST-HMQC-NOESY-[13Carom,1H]-HMQC_6 _Saveframe_category NMR_applied_experiment _Experiment_name [13Cmethyl,1H]-SOFAST-HMQC-NOESY-[13Carom,1H]-HMQC _Sample_label $sample_1 save_ save_2D_1H-13C_HSQC_aromatic_7 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-13C HSQC aromatic' _Sample_label $sample_1 save_ save_2D_1H-13C_HSQC_aliphatic_8 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-13C HSQC aliphatic' _Sample_label $sample_1 save_ save_2D_1H-15N_HSQC_9 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-15N HSQC' _Sample_label $sample_1 save_ save_3D_C(CO)NH_10 _Saveframe_category NMR_applied_experiment _Experiment_name '3D C(CO)NH' _Sample_label $sample_1 save_ save_3D_H(CCO)NH_11 _Saveframe_category NMR_applied_experiment _Experiment_name '3D H(CCO)NH' _Sample_label $sample_1 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' 50 . mM pH 6.3 . pH pressure 1 . mbar temperature 303 . K stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chem_shift_reference_1 _Saveframe_category chemical_shift_reference _Details . loop_ _Mol_common_name _Atom_type _Atom_isotope_number _Atom_group _Chem_shift_units _Chem_shift_value _Reference_method _Reference_type _External_reference_sample_geometry _External_reference_location _External_reference_axis _Indirect_shift_ratio DSS H 1 'methyl protons' ppm 0 internal direct . . . 1 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_chemical_shifts_1 _Saveframe_category assigned_chemical_shifts _Details . loop_ _Experiment_label '3D 1H-15N NOESY' '3D 1H-13C NOESY aliphatic' '3D 1H-13C NOESY aromatic' '3D HNCACB' '3D HN(COCA)CB' [13Cmethyl,1H]-SOFAST-HMQC-NOESY-[13Carom,1H]-HMQC '2D 1H-13C HSQC aromatic' '2D 1H-13C HSQC aliphatic' '2D 1H-15N HSQC' '3D C(CO)NH' '3D H(CCO)NH' stop_ loop_ _Sample_label $sample_1 stop_ _Sample_conditions_label $sample_conditions_1 _Chem_shift_reference_set_label $chem_shift_reference_1 _Mol_system_component_name entity_1 _Text_data_format . _Text_data . loop_ _Atom_shift_assign_ID _Residue_author_seq_code _Residue_seq_code _Residue_label _Atom_name _Atom_type _Chem_shift_value _Chem_shift_value_error _Chem_shift_ambiguity_code 1 1 1 ALA H H 8.552 0.020 1 2 1 1 ALA HA H 4.436 0.020 1 3 1 1 ALA HB H 1.439 0.020 1 4 1 1 ALA CA C 52.798 0.400 1 5 1 1 ALA CB C 19.285 0.400 1 6 1 1 ALA N N 126.203 0.400 1 7 2 2 THR H H 8.118 0.020 1 8 2 2 THR HA H 4.329 0.020 1 9 2 2 THR HB H 4.220 0.020 1 10 2 2 THR HG2 H 1.208 0.020 1 11 2 2 THR CA C 61.856 0.400 1 12 2 2 THR CB C 69.823 0.400 1 13 2 2 THR CG2 C 21.648 0.400 1 14 2 2 THR N N 113.232 0.400 1 15 3 3 GLN H H 8.330 0.020 1 16 3 3 GLN HA H 4.438 0.020 1 17 3 3 GLN HB2 H 2.124 0.020 2 18 3 3 GLN HB3 H 2.000 0.020 2 19 3 3 GLN HG2 H 2.375 0.020 2 20 3 3 GLN HG3 H 2.375 0.020 2 21 3 3 GLN CA C 55.665 0.400 1 22 3 3 GLN CB C 29.925 0.400 1 23 3 3 GLN CG C 33.882 0.400 1 24 3 3 GLN N N 122.795 0.400 1 25 4 4 SER H H 8.588 0.020 1 26 4 4 SER CA C 56.422 0.400 1 27 4 4 SER CB C 63.403 0.400 1 28 4 4 SER N N 119.289 0.400 1 29 5 5 PRO HA H 4.450 0.020 1 30 5 5 PRO HB2 H 2.341 0.020 2 31 5 5 PRO HB3 H 2.341 0.020 2 32 5 5 PRO HG2 H 2.066 0.020 2 33 5 5 PRO HG3 H 1.990 0.020 2 34 5 5 PRO HD2 H 3.844 0.020 2 35 5 5 PRO HD3 H 3.809 0.020 2 36 5 5 PRO CA C 64.087 0.400 1 37 5 5 PRO CB C 32.038 0.400 1 38 5 5 PRO CG C 27.503 0.400 1 39 5 5 PRO CD C 50.820 0.400 1 40 6 6 GLY H H 8.453 0.020 1 41 6 6 GLY HA2 H 3.949 0.020 2 42 6 6 GLY HA3 H 3.949 0.020 2 43 6 6 GLY CA C 45.762 0.400 1 44 6 6 GLY N N 108.250 0.400 1 45 7 7 ASP H H 8.098 0.020 1 46 7 7 ASP HA H 4.624 0.020 1 47 7 7 ASP HB2 H 2.746 0.020 2 48 7 7 ASP HB3 H 2.746 0.020 2 49 7 7 ASP CA C 55.197 0.400 1 50 7 7 ASP CB C 41.326 0.400 1 51 7 7 ASP N N 121.227 0.400 1 52 8 8 SER H H 8.386 0.020 1 53 8 8 SER HA H 4.285 0.020 1 54 8 8 SER HB2 H 3.970 0.020 2 55 8 8 SER HB3 H 3.970 0.020 2 56 8 8 SER CA C 60.404 0.400 1 57 8 8 SER CB C 63.242 0.400 1 58 8 8 SER N N 116.864 0.400 1 59 9 9 ARG H H 8.294 0.020 1 60 9 9 ARG HA H 4.192 0.020 1 61 9 9 ARG HB2 H 1.863 0.020 2 62 9 9 ARG HB3 H 1.863 0.020 2 63 9 9 ARG HG2 H 1.655 0.020 2 64 9 9 ARG HG3 H 1.551 0.020 2 65 9 9 ARG HD2 H 3.123 0.020 2 66 9 9 ARG HD3 H 3.123 0.020 2 67 9 9 ARG CA C 58.318 0.400 1 68 9 9 ARG CB C 29.986 0.400 1 69 9 9 ARG CG C 27.381 0.400 1 70 9 9 ARG CD C 43.284 0.400 1 71 9 9 ARG N N 122.998 0.400 1 72 10 10 ARG H H 7.998 0.020 1 73 10 10 ARG HA H 4.041 0.020 1 74 10 10 ARG HB2 H 1.866 0.020 2 75 10 10 ARG HB3 H 1.866 0.020 2 76 10 10 ARG HG2 H 1.662 0.020 2 77 10 10 ARG HG3 H 1.536 0.020 2 78 10 10 ARG HD2 H 3.185 0.020 2 79 10 10 ARG HD3 H 3.185 0.020 2 80 10 10 ARG CA C 58.697 0.400 1 81 10 10 ARG CB C 30.207 0.400 1 82 10 10 ARG CG C 27.643 0.400 1 83 10 10 ARG CD C 43.328 0.400 1 84 10 10 ARG N N 119.619 0.400 1 85 11 11 LEU H H 8.131 0.020 1 86 11 11 LEU HA H 4.207 0.020 1 87 11 11 LEU HB2 H 1.760 0.020 2 88 11 11 LEU HB3 H 1.760 0.020 2 89 11 11 LEU HG H 1.669 0.020 1 90 11 11 LEU HD1 H 0.891 0.020 2 91 11 11 LEU HD2 H 0.891 0.020 2 92 11 11 LEU CA C 57.163 0.400 1 93 11 11 LEU CB C 41.921 0.400 1 94 11 11 LEU CG C 27.113 0.400 1 95 11 11 LEU CD1 C 24.743 0.400 2 96 11 11 LEU CD2 C 23.683 0.400 2 97 11 11 LEU N N 120.632 0.400 1 98 12 12 SER H H 8.123 0.020 1 99 12 12 SER HA H 4.283 0.020 1 100 12 12 SER HB2 H 4.108 0.020 2 101 12 12 SER HB3 H 4.007 0.020 2 102 12 12 SER CA C 61.076 0.400 1 103 12 12 SER CB C 63.160 0.400 1 104 12 12 SER N N 116.206 0.400 1 105 13 13 ILE H H 8.128 0.020 1 106 13 13 ILE HA H 4.170 0.020 1 107 13 13 ILE HB H 1.756 0.020 1 108 13 13 ILE HG12 H 1.466 0.020 2 109 13 13 ILE HG13 H 0.785 0.020 2 110 13 13 ILE HG2 H 0.524 0.020 1 111 13 13 ILE HD1 H 0.530 0.020 1 112 13 13 ILE CA C 64.876 0.400 1 113 13 13 ILE CB C 37.668 0.400 1 114 13 13 ILE CG1 C 29.192 0.400 1 115 13 13 ILE CG2 C 17.123 0.400 1 116 13 13 ILE CD1 C 13.099 0.400 1 117 13 13 ILE N N 123.223 0.400 1 118 14 14 GLN H H 8.097 0.020 1 119 14 14 GLN HA H 3.990 0.020 1 120 14 14 GLN HB2 H 2.194 0.020 2 121 14 14 GLN HB3 H 2.194 0.020 2 122 14 14 GLN HG2 H 2.487 0.020 2 123 14 14 GLN HG3 H 2.450 0.020 2 124 14 14 GLN CA C 59.479 0.400 1 125 14 14 GLN CB C 28.259 0.400 1 126 14 14 GLN CG C 34.075 0.400 1 127 14 14 GLN N N 118.904 0.400 1 128 15 15 ARG H H 8.195 0.020 1 129 15 15 ARG HA H 4.125 0.020 1 130 15 15 ARG HB2 H 1.951 0.020 2 131 15 15 ARG HB3 H 1.850 0.020 2 132 15 15 ARG HG2 H 1.663 0.020 2 133 15 15 ARG HG3 H 1.663 0.020 2 134 15 15 ARG HD2 H 3.235 0.020 2 135 15 15 ARG HD3 H 3.235 0.020 2 136 15 15 ARG CA C 59.370 0.400 1 137 15 15 ARG CB C 30.221 0.400 1 138 15 15 ARG CG C 27.958 0.400 1 139 15 15 ARG CD C 43.535 0.400 1 140 15 15 ARG N N 119.078 0.400 1 141 16 16 ALA H H 8.088 0.020 1 142 16 16 ALA HA H 4.155 0.020 1 143 16 16 ALA HB H 1.485 0.020 1 144 16 16 ALA CA C 55.480 0.400 1 145 16 16 ALA CB C 18.571 0.400 1 146 16 16 ALA N N 123.986 0.400 1 147 17 17 ILE H H 8.566 0.020 1 148 17 17 ILE HA H 3.670 0.020 1 149 17 17 ILE HB H 2.107 0.020 1 150 17 17 ILE HG12 H 1.224 0.020 2 151 17 17 ILE HG13 H 1.224 0.020 2 152 17 17 ILE HG2 H 1.073 0.020 1 153 17 17 ILE HD1 H 0.940 0.020 1 154 17 17 ILE CA C 65.211 0.400 1 155 17 17 ILE CB C 37.516 0.400 1 156 17 17 ILE CG1 C 29.566 0.400 1 157 17 17 ILE CG2 C 18.407 0.400 1 158 17 17 ILE CD1 C 14.383 0.400 1 159 17 17 ILE N N 118.206 0.400 1 160 18 18 GLN H H 8.173 0.020 1 161 18 18 GLN HA H 4.077 0.020 1 162 18 18 GLN HB2 H 2.286 0.020 2 163 18 18 GLN HB3 H 2.196 0.020 2 164 18 18 GLN HG2 H 2.619 0.020 2 165 18 18 GLN HG3 H 2.501 0.020 2 166 18 18 GLN CA C 59.298 0.400 1 167 18 18 GLN CB C 28.130 0.400 1 168 18 18 GLN CG C 34.160 0.400 1 169 18 18 GLN N N 118.811 0.400 1 170 19 19 SER H H 8.191 0.020 1 171 19 19 SER HA H 4.381 0.020 1 172 19 19 SER CA C 61.931 0.400 1 173 19 19 SER CB C 62.986 0.400 1 174 19 19 SER N N 116.044 0.400 1 175 20 20 LEU H H 8.250 0.020 1 176 20 20 LEU HA H 4.027 0.020 1 177 20 20 LEU HB2 H 2.091 0.020 2 178 20 20 LEU HB3 H 1.640 0.020 2 179 20 20 LEU HG H 1.495 0.020 1 180 20 20 LEU HD1 H 0.834 0.020 2 181 20 20 LEU HD2 H 0.891 0.020 2 182 20 20 LEU CA C 58.652 0.400 1 183 20 20 LEU CB C 42.266 0.400 1 184 20 20 LEU CG C 27.289 0.400 1 185 20 20 LEU CD1 C 25.975 0.400 2 186 20 20 LEU CD2 C 23.465 0.400 2 187 20 20 LEU N N 125.406 0.400 1 188 21 21 VAL H H 8.519 0.020 1 189 21 21 VAL HA H 3.276 0.020 1 190 21 21 VAL HB H 2.097 0.020 1 191 21 21 VAL HG1 H 0.920 0.020 2 192 21 21 VAL HG2 H 0.920 0.020 2 193 21 21 VAL CA C 66.910 0.400 1 194 21 21 VAL CB C 31.772 0.400 1 195 21 21 VAL CG1 C 23.343 0.400 2 196 21 21 VAL CG2 C 21.025 0.400 2 197 21 21 VAL N N 118.544 0.400 1 198 22 22 HIS H H 7.932 0.020 1 199 22 22 HIS HA H 4.197 0.020 1 200 22 22 HIS HB2 H 3.281 0.020 2 201 22 22 HIS HB3 H 3.281 0.020 2 202 22 22 HIS HD2 H 7.181 0.020 1 203 22 22 HIS HE1 H 7.950 0.020 1 204 22 22 HIS CA C 60.178 0.400 1 205 22 22 HIS CB C 27.803 0.400 1 206 22 22 HIS CD2 C 129.630 0.400 1 207 22 22 HIS CE1 C 139.492 0.400 1 208 22 22 HIS N N 115.729 0.400 1 209 22 22 HIS ND1 N 172.448 0.400 1 210 22 22 HIS NE2 N 218.406 0.400 1 211 23 23 ALA H H 8.607 0.020 1 212 23 23 ALA HA H 4.150 0.020 1 213 23 23 ALA HB H 1.561 0.020 1 214 23 23 ALA CA C 55.146 0.400 1 215 23 23 ALA CB C 19.809 0.400 1 216 23 23 ALA N N 121.252 0.400 1 217 24 24 ALA H H 8.230 0.020 1 218 24 24 ALA HA H 4.047 0.020 1 219 24 24 ALA HB H 1.373 0.020 1 220 24 24 ALA CA C 53.993 0.400 1 221 24 24 ALA CB C 18.553 0.400 1 222 24 24 ALA N N 116.504 0.400 1 223 25 25 GLN H H 7.208 0.020 1 224 25 25 GLN HA H 4.481 0.020 1 225 25 25 GLN HB2 H 2.163 0.020 2 226 25 25 GLN HB3 H 1.994 0.020 2 227 25 25 GLN HG2 H 2.467 0.020 2 228 25 25 GLN HG3 H 2.280 0.020 2 229 25 25 GLN CA C 54.508 0.400 1 230 25 25 GLN CB C 30.772 0.400 1 231 25 25 GLN CG C 33.456 0.400 1 232 25 25 GLN N N 111.802 0.400 1 233 26 26 CYS H H 7.275 0.020 1 234 26 26 CYS HA H 3.887 0.020 1 235 26 26 CYS HB2 H 2.538 0.020 2 236 26 26 CYS HB3 H 2.057 0.020 2 237 26 26 CYS CA C 60.864 0.400 1 238 26 26 CYS CB C 29.208 0.400 1 239 26 26 CYS N N 124.314 0.400 1 240 27 27 ARG H H 8.879 0.020 1 241 27 27 ARG HA H 4.593 0.020 1 242 27 27 ARG HB2 H 2.139 0.020 2 243 27 27 ARG HB3 H 2.139 0.020 2 244 27 27 ARG HG2 H 1.627 0.020 2 245 27 27 ARG HG3 H 1.627 0.020 2 246 27 27 ARG HD2 H 3.179 0.020 2 247 27 27 ARG HD3 H 3.179 0.020 2 248 27 27 ARG CA C 54.645 0.400 1 249 27 27 ARG CB C 30.103 0.400 1 250 27 27 ARG CG C 26.934 0.400 1 251 27 27 ARG CD C 43.207 0.400 1 252 27 27 ARG N N 129.562 0.400 1 253 28 28 ASN H H 7.898 0.020 1 254 28 28 ASN HA H 4.840 0.020 1 255 28 28 ASN HB2 H 2.975 0.020 2 256 28 28 ASN HB3 H 2.853 0.020 2 257 28 28 ASN CA C 51.843 0.400 1 258 28 28 ASN CB C 39.070 0.400 1 259 28 28 ASN N N 120.386 0.400 1 260 29 29 ALA H H 9.147 0.020 1 261 29 29 ALA HA H 4.085 0.020 1 262 29 29 ALA HB H 1.431 0.020 1 263 29 29 ALA CA C 54.436 0.400 1 264 29 29 ALA CB C 18.462 0.400 1 265 29 29 ALA N N 130.376 0.400 1 266 30 30 ASN H H 8.071 0.020 1 267 30 30 ASN HA H 4.847 0.020 1 268 30 30 ASN HB2 H 2.950 0.020 2 269 30 30 ASN HB3 H 2.607 0.020 2 270 30 30 ASN CA C 51.892 0.400 1 271 30 30 ASN CB C 38.859 0.400 1 272 30 30 ASN N N 114.063 0.400 1 273 31 31 CYS H H 7.163 0.020 1 274 31 31 CYS HA H 4.026 0.020 1 275 31 31 CYS HB2 H 3.003 0.020 2 276 31 31 CYS HB3 H 3.003 0.020 2 277 31 31 CYS CA C 61.743 0.400 1 278 31 31 CYS CB C 29.996 0.400 1 279 31 31 CYS N N 123.084 0.400 1 280 32 32 SER H H 8.798 0.020 1 281 32 32 SER HA H 4.588 0.020 1 282 32 32 SER HB2 H 4.119 0.020 2 283 32 32 SER HB3 H 3.868 0.020 2 284 32 32 SER CA C 57.941 0.400 1 285 32 32 SER CB C 64.049 0.400 1 286 32 32 SER N N 124.349 0.400 1 287 33 33 LEU H H 8.506 0.020 1 288 33 33 LEU CA C 54.281 0.400 1 289 33 33 LEU CB C 40.925 0.400 1 290 33 33 LEU N N 128.674 0.400 1 291 34 34 PRO HA H 4.317 0.020 1 292 34 34 PRO HB2 H 2.397 0.020 2 293 34 34 PRO HB3 H 2.177 0.020 2 294 34 34 PRO HG2 H 2.061 0.020 2 295 34 34 PRO HG3 H 2.003 0.020 2 296 34 34 PRO HD2 H 4.205 0.020 2 297 34 34 PRO HD3 H 3.767 0.020 2 298 34 34 PRO CA C 65.368 0.400 1 299 34 34 PRO CB C 31.904 0.400 1 300 34 34 PRO CG C 27.823 0.400 1 301 34 34 PRO CD C 51.035 0.400 1 302 35 35 SER H H 8.358 0.020 1 303 35 35 SER HA H 4.263 0.020 1 304 35 35 SER HB2 H 4.086 0.020 2 305 35 35 SER HB3 H 3.998 0.020 2 306 35 35 SER CA C 60.465 0.400 1 307 35 35 SER CB C 63.041 0.400 1 308 35 35 SER N N 111.823 0.400 1 309 36 36 CYS H H 7.496 0.020 1 310 36 36 CYS CA C 63.938 0.400 1 311 36 36 CYS CB C 29.775 0.400 1 312 36 36 CYS N N 125.600 0.400 1 313 37 37 GLN H H 8.174 0.020 1 314 37 37 GLN HA H 3.964 0.020 1 315 37 37 GLN HB2 H 2.183 0.020 2 316 37 37 GLN HB3 H 2.129 0.020 2 317 37 37 GLN HG2 H 2.532 0.020 2 318 37 37 GLN HG3 H 2.475 0.020 2 319 37 37 GLN CA C 59.877 0.400 1 320 37 37 GLN CB C 28.166 0.400 1 321 37 37 GLN CG C 34.121 0.400 1 322 37 37 GLN N N 115.935 0.400 1 323 38 38 LYS H H 7.957 0.020 1 324 38 38 LYS HA H 4.045 0.020 1 325 38 38 LYS HB2 H 1.818 0.020 2 326 38 38 LYS HB3 H 1.818 0.020 2 327 38 38 LYS HG2 H 1.376 0.020 2 328 38 38 LYS HG3 H 1.376 0.020 2 329 38 38 LYS HD2 H 1.646 0.020 2 330 38 38 LYS HD3 H 1.538 0.020 2 331 38 38 LYS HE2 H 2.912 0.020 2 332 38 38 LYS HE3 H 2.912 0.020 2 333 38 38 LYS CA C 59.608 0.400 1 334 38 38 LYS CB C 32.700 0.400 1 335 38 38 LYS CG C 25.288 0.400 1 336 38 38 LYS CD C 29.549 0.400 1 337 38 38 LYS CE C 42.196 0.400 1 338 38 38 LYS N N 117.232 0.400 1 339 39 39 MET H H 8.283 0.020 1 340 39 39 MET HA H 4.557 0.020 1 341 39 39 MET HB2 H 2.321 0.020 2 342 39 39 MET HB3 H 1.863 0.020 2 343 39 39 MET HG2 H 2.701 0.020 2 344 39 39 MET HG3 H 2.531 0.020 2 345 39 39 MET HE H 1.931 0.020 1 346 39 39 MET CA C 56.699 0.400 1 347 39 39 MET CB C 31.780 0.400 1 348 39 39 MET CG C 33.442 0.400 1 349 39 39 MET CE C 17.236 0.400 1 350 39 39 MET N N 118.055 0.400 1 351 40 40 LYS H H 9.517 0.020 1 352 40 40 LYS HA H 3.808 0.020 1 353 40 40 LYS HB2 H 2.126 0.020 2 354 40 40 LYS HB3 H 1.971 0.020 2 355 40 40 LYS HG2 H 1.374 0.020 2 356 40 40 LYS HG3 H 1.374 0.020 2 357 40 40 LYS HD2 H 1.837 0.020 2 358 40 40 LYS HD3 H 1.671 0.020 2 359 40 40 LYS HE2 H 3.262 0.020 2 360 40 40 LYS HE3 H 3.126 0.020 2 361 40 40 LYS CA C 61.442 0.400 1 362 40 40 LYS CB C 32.770 0.400 1 363 40 40 LYS CG C 27.407 0.400 1 364 40 40 LYS CD C 30.110 0.400 1 365 40 40 LYS CE C 42.954 0.400 1 366 40 40 LYS N N 121.877 0.400 1 367 41 41 ARG H H 7.555 0.020 1 368 41 41 ARG HA H 4.167 0.020 1 369 41 41 ARG HB2 H 2.138 0.020 2 370 41 41 ARG HB3 H 1.979 0.020 2 371 41 41 ARG HG2 H 1.708 0.020 2 372 41 41 ARG HG3 H 1.708 0.020 2 373 41 41 ARG HD2 H 3.262 0.020 2 374 41 41 ARG HD3 H 3.262 0.020 2 375 41 41 ARG CA C 59.615 0.400 1 376 41 41 ARG CB C 29.990 0.400 1 377 41 41 ARG CG C 27.940 0.400 1 378 41 41 ARG CD C 43.679 0.400 1 379 41 41 ARG N N 117.991 0.400 1 380 42 42 VAL H H 7.619 0.020 1 381 42 42 VAL HA H 3.720 0.020 1 382 42 42 VAL HB H 2.405 0.020 1 383 42 42 VAL HG1 H 1.044 0.020 2 384 42 42 VAL HG2 H 0.914 0.020 2 385 42 42 VAL CA C 66.664 0.400 1 386 42 42 VAL CB C 31.448 0.400 1 387 42 42 VAL CG1 C 22.846 0.400 2 388 42 42 VAL N N 121.670 0.400 1 389 43 43 VAL H H 8.437 0.020 1 390 43 43 VAL HA H 3.490 0.020 1 391 43 43 VAL HB H 2.216 0.020 1 392 43 43 VAL HG1 H 0.945 0.020 2 393 43 43 VAL HG2 H 0.945 0.020 2 394 43 43 VAL CA C 67.376 0.400 1 395 43 43 VAL CB C 31.553 0.400 1 396 43 43 VAL CG1 C 23.148 0.400 2 397 43 43 VAL CG2 C 21.453 0.400 2 398 43 43 VAL N N 120.504 0.400 1 399 44 44 GLN H H 8.386 0.020 1 400 44 44 GLN HA H 3.972 0.020 1 401 44 44 GLN HB2 H 2.205 0.020 2 402 44 44 GLN HB3 H 2.167 0.020 2 403 44 44 GLN HG2 H 2.494 0.020 2 404 44 44 GLN HG3 H 2.494 0.020 2 405 44 44 GLN CA C 58.886 0.400 1 406 44 44 GLN CB C 28.087 0.400 1 407 44 44 GLN CG C 33.711 0.400 1 408 44 44 GLN N N 119.114 0.400 1 409 45 45 HIS H H 8.132 0.020 1 410 45 45 HIS HA H 4.251 0.020 1 411 45 45 HIS HB2 H 3.896 0.020 2 412 45 45 HIS HB3 H 3.363 0.020 2 413 45 45 HIS HD2 H 6.928 0.020 1 414 45 45 HIS HE1 H 8.083 0.020 1 415 45 45 HIS CA C 59.897 0.400 1 416 45 45 HIS CB C 27.193 0.400 1 417 45 45 HIS CD2 C 128.953 0.400 1 418 45 45 HIS CE1 C 140.118 0.400 1 419 45 45 HIS N N 119.095 0.400 1 420 45 45 HIS ND1 N 173.060 0.400 1 421 45 45 HIS NE2 N 220.253 0.400 1 422 46 46 THR H H 7.850 0.020 1 423 46 46 THR HA H 3.830 0.020 1 424 46 46 THR HB H 4.212 0.020 1 425 46 46 THR HG2 H 1.652 0.020 1 426 46 46 THR CA C 65.725 0.400 1 427 46 46 THR CB C 69.530 0.400 1 428 46 46 THR CG2 C 22.148 0.400 1 429 46 46 THR N N 110.370 0.400 1 430 47 47 LYS H H 7.329 0.020 1 431 47 47 LYS HA H 4.064 0.020 1 432 47 47 LYS HB2 H 1.866 0.020 2 433 47 47 LYS HB3 H 1.866 0.020 2 434 47 47 LYS HG2 H 1.429 0.020 2 435 47 47 LYS HG3 H 1.429 0.020 2 436 47 47 LYS HD2 H 1.638 0.020 2 437 47 47 LYS HD3 H 1.638 0.020 2 438 47 47 LYS HE2 H 2.883 0.020 2 439 47 47 LYS HE3 H 2.883 0.020 2 440 47 47 LYS CA C 58.672 0.400 1 441 47 47 LYS CB C 32.118 0.400 1 442 47 47 LYS CG C 25.312 0.400 1 443 47 47 LYS CD C 29.172 0.400 1 444 47 47 LYS CE C 42.265 0.400 1 445 47 47 LYS N N 120.287 0.400 1 446 48 48 GLY H H 7.152 0.020 1 447 48 48 GLY HA2 H 4.373 0.020 2 448 48 48 GLY HA3 H 3.625 0.020 2 449 48 48 GLY CA C 44.684 0.400 1 450 48 48 GLY N N 103.909 0.400 1 451 49 49 CYS H H 6.912 0.020 1 452 49 49 CYS HA H 3.969 0.020 1 453 49 49 CYS HB2 H 2.708 0.020 2 454 49 49 CYS HB3 H 2.043 0.020 2 455 49 49 CYS CA C 61.154 0.400 1 456 49 49 CYS CB C 29.811 0.400 1 457 49 49 CYS N N 123.256 0.400 1 458 50 50 LYS H H 8.994 0.020 1 459 50 50 LYS HA H 4.506 0.020 1 460 50 50 LYS HB2 H 2.062 0.020 2 461 50 50 LYS HB3 H 1.832 0.020 2 462 50 50 LYS HG2 H 1.613 0.020 2 463 50 50 LYS HG3 H 1.528 0.020 2 464 50 50 LYS HD2 H 1.721 0.020 2 465 50 50 LYS HD3 H 1.721 0.020 2 466 50 50 LYS HE2 H 3.054 0.020 2 467 50 50 LYS HE3 H 3.054 0.020 2 468 50 50 LYS CA C 56.595 0.400 1 469 50 50 LYS CB C 32.840 0.400 1 470 50 50 LYS CG C 25.039 0.400 1 471 50 50 LYS CD C 28.882 0.400 1 472 50 50 LYS CE C 42.327 0.400 1 473 50 50 LYS N N 128.150 0.400 1 474 51 51 ARG H H 8.517 0.020 1 475 51 51 ARG HA H 4.393 0.020 1 476 51 51 ARG HB2 H 1.797 0.020 2 477 51 51 ARG HB3 H 1.797 0.020 2 478 51 51 ARG HG2 H 1.852 0.020 2 479 51 51 ARG HG3 H 1.852 0.020 2 480 51 51 ARG HD2 H 3.283 0.020 2 481 51 51 ARG HD3 H 3.283 0.020 2 482 51 51 ARG CA C 57.674 0.400 1 483 51 51 ARG CB C 31.658 0.400 1 484 51 51 ARG CG C 27.736 0.400 1 485 51 51 ARG CD C 43.718 0.400 1 486 51 51 ARG N N 122.401 0.400 1 487 52 52 LYS H H 8.468 0.020 1 488 52 52 LYS HA H 4.517 0.020 1 489 52 52 LYS HB2 H 2.299 0.020 2 490 52 52 LYS HB3 H 2.055 0.020 2 491 52 52 LYS HG2 H 1.376 0.020 2 492 52 52 LYS HG3 H 1.376 0.020 2 493 52 52 LYS HD2 H 1.774 0.020 2 494 52 52 LYS HD3 H 1.610 0.020 2 495 52 52 LYS HE2 H 3.161 0.020 2 496 52 52 LYS HE3 H 3.161 0.020 2 497 52 52 LYS CA C 57.716 0.400 1 498 52 52 LYS CB C 32.282 0.400 1 499 52 52 LYS CG C 24.844 0.400 1 500 52 52 LYS CD C 29.754 0.400 1 501 52 52 LYS CE C 42.712 0.400 1 502 52 52 LYS N N 118.753 0.400 1 503 53 53 THR H H 7.766 0.020 1 504 53 53 THR CA C 63.878 0.400 1 505 53 53 THR CB C 68.821 0.400 1 506 53 53 THR N N 112.969 0.400 1 507 54 54 ASN HA H 4.714 0.020 1 508 54 54 ASN HB2 H 2.870 0.020 2 509 54 54 ASN HB3 H 2.870 0.020 2 510 54 54 ASN CA C 53.812 0.400 1 511 54 54 ASN CB C 38.287 0.400 1 512 55 55 GLY H H 7.968 0.020 1 513 55 55 GLY HA2 H 3.977 0.020 2 514 55 55 GLY HA3 H 3.977 0.020 2 515 55 55 GLY CA C 45.809 0.400 1 516 55 55 GLY N N 107.378 0.400 1 517 56 56 GLY H H 7.796 0.020 1 518 56 56 GLY HA2 H 3.990 0.020 2 519 56 56 GLY HA3 H 3.876 0.020 2 520 56 56 GLY CA C 45.548 0.400 1 521 56 56 GLY N N 107.056 0.400 1 522 57 57 CYS H H 8.013 0.020 1 523 57 57 CYS CA C 55.625 0.400 1 524 57 57 CYS CB C 30.728 0.400 1 525 57 57 CYS N N 122.484 0.400 1 526 58 58 PRO HA H 4.300 0.020 1 527 58 58 PRO HB2 H 2.341 0.020 2 528 58 58 PRO HB3 H 2.341 0.020 2 529 58 58 PRO HG2 H 2.083 0.020 2 530 58 58 PRO HG3 H 1.902 0.020 2 531 58 58 PRO HD2 H 4.042 0.020 2 532 58 58 PRO HD3 H 4.042 0.020 2 533 58 58 PRO CA C 65.027 0.400 1 534 58 58 PRO CB C 32.457 0.400 1 535 58 58 PRO CG C 27.357 0.400 1 536 58 58 PRO CD C 51.532 0.400 1 537 59 59 ILE H H 7.811 0.020 1 538 59 59 ILE HA H 3.740 0.020 1 539 59 59 ILE HB H 1.483 0.020 1 540 59 59 ILE HG12 H 0.900 0.020 2 541 59 59 ILE HG13 H 0.900 0.020 2 542 59 59 ILE HG2 H 0.705 0.020 1 543 59 59 ILE HD1 H 0.422 0.020 1 544 59 59 ILE CA C 64.847 0.400 1 545 59 59 ILE CB C 39.013 0.400 1 546 59 59 ILE CG1 C 27.934 0.400 1 547 59 59 ILE CG2 C 18.336 0.400 1 548 59 59 ILE CD1 C 12.701 0.400 1 549 59 59 ILE N N 121.297 0.400 1 550 60 60 CYS H H 8.888 0.020 1 551 60 60 CYS CA C 66.369 0.400 1 552 60 60 CYS CB C 29.283 0.400 1 553 60 60 CYS N N 123.650 0.400 1 554 61 61 LYS HA H 3.848 0.020 1 555 61 61 LYS HB2 H 1.832 0.020 2 556 61 61 LYS HB3 H 1.752 0.020 2 557 61 61 LYS HG2 H 1.327 0.020 2 558 61 61 LYS HG3 H 1.327 0.020 2 559 61 61 LYS HE2 H 2.877 0.020 2 560 61 61 LYS HE3 H 2.877 0.020 2 561 61 61 LYS CA C 60.127 0.400 1 562 61 61 LYS CB C 32.653 0.400 1 563 61 61 LYS CG C 25.477 0.400 1 564 61 61 LYS CD C 29.503 0.400 1 565 61 61 LYS CE C 41.948 0.400 1 566 62 62 GLN H H 7.304 0.020 1 567 62 62 GLN HA H 4.151 0.020 1 568 62 62 GLN HB2 H 2.339 0.020 2 569 62 62 GLN HB3 H 2.339 0.020 2 570 62 62 GLN HG2 H 2.231 0.020 2 571 62 62 GLN HG3 H 2.231 0.020 2 572 62 62 GLN CA C 58.641 0.400 1 573 62 62 GLN CB C 28.855 0.400 1 574 62 62 GLN CG C 34.264 0.400 1 575 62 62 GLN N N 117.651 0.400 1 576 63 63 LEU H H 8.169 0.020 1 577 63 63 LEU HB2 H 1.917 0.020 2 578 63 63 LEU HB3 H 1.917 0.020 2 579 63 63 LEU HG H 2.006 0.020 1 580 63 63 LEU HD1 H 1.040 0.020 2 581 63 63 LEU HD2 H 1.040 0.020 2 582 63 63 LEU CA C 58.016 0.400 1 583 63 63 LEU CB C 41.831 0.400 1 584 63 63 LEU CG C 27.536 0.400 1 585 63 63 LEU CD1 C 25.162 0.400 2 586 63 63 LEU N N 120.151 0.400 1 587 64 64 ILE H H 8.533 0.020 1 588 64 64 ILE HA H 3.549 0.020 1 589 64 64 ILE HB H 1.431 0.020 1 590 64 64 ILE HG12 H 1.074 0.020 2 591 64 64 ILE HG13 H 1.074 0.020 2 592 64 64 ILE HG2 H 0.768 0.020 1 593 64 64 ILE HD1 H 0.371 0.020 1 594 64 64 ILE CA C 65.457 0.400 1 595 64 64 ILE CB C 37.346 0.400 1 596 64 64 ILE CG1 C 30.018 0.400 1 597 64 64 ILE CG2 C 17.213 0.400 1 598 64 64 ILE CD1 C 13.492 0.400 1 599 64 64 ILE N N 120.188 0.400 1 600 65 65 ALA H H 7.341 0.020 1 601 65 65 ALA HA H 4.111 0.020 1 602 65 65 ALA HB H 1.514 0.020 1 603 65 65 ALA CA C 55.217 0.400 1 604 65 65 ALA CB C 18.236 0.400 1 605 65 65 ALA N N 122.175 0.400 1 606 66 66 LEU H H 7.809 0.020 1 607 66 66 LEU HA H 4.113 0.020 1 608 66 66 LEU HB2 H 1.917 0.020 2 609 66 66 LEU HB3 H 1.917 0.020 2 610 66 66 LEU HG H 1.827 0.020 1 611 66 66 LEU HD1 H 0.789 0.020 2 612 66 66 LEU HD2 H 0.751 0.020 2 613 66 66 LEU CA C 57.917 0.400 1 614 66 66 LEU CB C 42.354 0.400 1 615 66 66 LEU CG C 26.580 0.400 1 616 66 66 LEU CD1 C 25.522 0.400 2 617 66 66 LEU CD2 C 24.412 0.400 2 618 66 66 LEU N N 117.844 0.400 1 619 67 67 ALA H H 8.927 0.020 1 620 67 67 ALA HA H 3.916 0.020 1 621 67 67 ALA HB H 1.679 0.020 1 622 67 67 ALA CA C 55.855 0.400 1 623 67 67 ALA CB C 19.090 0.400 1 624 67 67 ALA N N 121.590 0.400 1 625 68 68 ALA H H 8.652 0.020 1 626 68 68 ALA HA H 4.108 0.020 1 627 68 68 ALA HB H 1.512 0.020 1 628 68 68 ALA CA C 55.499 0.400 1 629 68 68 ALA CB C 18.113 0.400 1 630 68 68 ALA N N 119.817 0.400 1 631 69 69 TYR H H 7.693 0.020 1 632 69 69 TYR HD1 H 7.109 0.020 1 633 69 69 TYR HD2 H 7.109 0.020 1 634 69 69 TYR HE1 H 6.813 0.020 1 635 69 69 TYR HE2 H 6.813 0.020 1 636 69 69 TYR CA C 61.436 0.400 1 637 69 69 TYR CB C 38.477 0.400 1 638 69 69 TYR CD1 C 133.223 0.400 3 639 69 69 TYR CD2 C 133.187 0.400 3 640 69 69 TYR CE1 C 118.209 0.400 3 641 69 69 TYR CE2 C 118.236 0.400 3 642 69 69 TYR N N 118.611 0.400 1 643 70 70 HIS HA H 4.379 0.020 1 644 70 70 HIS HB2 H 3.558 0.020 2 645 70 70 HIS HB3 H 3.204 0.020 2 646 70 70 HIS HD2 H 7.285 0.020 1 647 70 70 HIS HE1 H 8.050 0.020 1 648 70 70 HIS CA C 58.837 0.400 1 649 70 70 HIS CB C 27.799 0.400 1 650 70 70 HIS CD2 C 129.304 0.400 1 651 70 70 HIS CE1 C 140.238 0.400 1 652 70 70 HIS ND1 N 172.548 0.400 1 653 70 70 HIS NE2 N 221.200 0.400 1 654 71 71 ALA H H 9.236 0.020 1 655 71 71 ALA HA H 3.924 0.020 1 656 71 71 ALA HB H 1.590 0.020 1 657 71 71 ALA CA C 54.779 0.400 1 658 71 71 ALA CB C 19.803 0.400 1 659 71 71 ALA N N 122.206 0.400 1 660 72 72 LYS H H 6.938 0.020 1 661 72 72 LYS HA H 3.831 0.020 1 662 72 72 LYS HB2 H 1.573 0.020 2 663 72 72 LYS HB3 H 1.416 0.020 2 664 72 72 LYS HG2 H 1.274 0.020 2 665 72 72 LYS HG3 H 1.165 0.020 2 666 72 72 LYS HD2 H 1.548 0.020 2 667 72 72 LYS HD3 H 1.548 0.020 2 668 72 72 LYS HE2 H 2.863 0.020 2 669 72 72 LYS HE3 H 2.863 0.020 2 670 72 72 LYS CA C 58.208 0.400 1 671 72 72 LYS CB C 32.520 0.400 1 672 72 72 LYS CG C 24.478 0.400 1 673 72 72 LYS CD C 29.001 0.400 1 674 72 72 LYS CE C 42.119 0.400 1 675 72 72 LYS N N 114.437 0.400 1 676 73 73 HIS H H 7.080 0.020 1 677 73 73 HIS HA H 4.811 0.020 1 678 73 73 HIS HB2 H 3.413 0.020 2 679 73 73 HIS HB3 H 2.892 0.020 2 680 73 73 HIS HD2 H 7.083 0.020 1 681 73 73 HIS HE1 H 8.019 0.020 1 682 73 73 HIS CA C 54.325 0.400 1 683 73 73 HIS CB C 30.317 0.400 1 684 73 73 HIS CD2 C 121.169 0.400 1 685 73 73 HIS CE1 C 137.490 0.400 1 686 73 73 HIS N N 112.718 0.400 1 687 73 73 HIS ND1 N 184.086 0.400 1 688 73 73 HIS NE2 N 196.528 0.400 1 689 74 74 CYS H H 6.990 0.020 1 690 74 74 CYS HA H 4.112 0.020 1 691 74 74 CYS HB2 H 2.452 0.020 2 692 74 74 CYS HB3 H 1.761 0.020 2 693 74 74 CYS CA C 60.103 0.400 1 694 74 74 CYS CB C 30.127 0.400 1 695 74 74 CYS N N 123.370 0.400 1 696 75 75 GLN H H 9.125 0.020 1 697 75 75 GLN HA H 4.662 0.020 1 698 75 75 GLN HB2 H 1.835 0.020 2 699 75 75 GLN HB3 H 1.835 0.020 2 700 75 75 GLN HG2 H 2.326 0.020 2 701 75 75 GLN HG3 H 2.326 0.020 2 702 75 75 GLN CA C 54.626 0.400 1 703 75 75 GLN CB C 29.358 0.400 1 704 75 75 GLN CG C 33.758 0.400 1 705 75 75 GLN N N 128.641 0.400 1 706 76 76 GLU H H 8.234 0.020 1 707 76 76 GLU HA H 4.384 0.020 1 708 76 76 GLU HB2 H 1.996 0.020 2 709 76 76 GLU HB3 H 1.947 0.020 2 710 76 76 GLU HG2 H 2.359 0.020 2 711 76 76 GLU HG3 H 2.359 0.020 2 712 76 76 GLU CA C 55.860 0.400 1 713 76 76 GLU CB C 30.404 0.400 1 714 76 76 GLU CG C 35.797 0.400 1 715 76 76 GLU N N 122.786 0.400 1 716 77 77 ASN H H 8.907 0.020 1 717 77 77 ASN HA H 4.498 0.020 1 718 77 77 ASN HB2 H 2.825 0.020 2 719 77 77 ASN HB3 H 2.825 0.020 2 720 77 77 ASN CA C 55.191 0.400 1 721 77 77 ASN CB C 38.486 0.400 1 722 77 77 ASN N N 125.654 0.400 1 723 78 78 LYS H H 8.748 0.020 1 724 78 78 LYS HA H 4.424 0.020 1 725 78 78 LYS HB2 H 1.917 0.020 2 726 78 78 LYS HB3 H 1.917 0.020 2 727 78 78 LYS HG2 H 1.333 0.020 2 728 78 78 LYS HG3 H 1.333 0.020 2 729 78 78 LYS HD2 H 1.655 0.020 2 730 78 78 LYS HD3 H 1.655 0.020 2 731 78 78 LYS HE2 H 2.979 0.020 2 732 78 78 LYS HE3 H 2.979 0.020 2 733 78 78 LYS CA C 54.570 0.400 1 734 78 78 LYS CB C 30.975 0.400 1 735 78 78 LYS CG C 24.712 0.400 1 736 78 78 LYS CD C 29.146 0.400 1 737 78 78 LYS CE C 42.217 0.400 1 738 78 78 LYS N N 120.741 0.400 1 739 79 79 CYS H H 6.933 0.020 1 740 79 79 CYS CA C 57.842 0.400 1 741 79 79 CYS CB C 30.709 0.400 1 742 79 79 CYS N N 123.810 0.400 1 743 80 80 PRO HA H 4.676 0.020 1 744 80 80 PRO HG2 H 2.094 0.020 2 745 80 80 PRO HG3 H 2.044 0.020 2 746 80 80 PRO HD2 H 4.146 0.020 2 747 80 80 PRO HD3 H 3.849 0.020 2 748 80 80 PRO CA C 62.901 0.400 1 749 80 80 PRO CB C 32.067 0.400 1 750 80 80 PRO CG C 26.480 0.400 1 751 80 80 PRO CD C 51.375 0.400 1 752 81 81 VAL H H 9.044 0.020 1 753 81 81 VAL HA H 3.527 0.020 1 754 81 81 VAL HB H 2.211 0.020 1 755 81 81 VAL HG1 H 0.408 0.020 2 756 81 81 VAL HG2 H 0.690 0.020 2 757 81 81 VAL CA C 62.499 0.400 1 758 81 81 VAL CB C 31.578 0.400 1 759 81 81 VAL CG1 C 24.089 0.400 2 760 81 81 VAL CG2 C 19.705 0.400 2 761 81 81 VAL N N 127.833 0.400 1 762 82 82 PRO HA H 3.982 0.020 1 763 82 82 PRO HB2 H 1.673 0.020 2 764 82 82 PRO HB3 H 1.673 0.020 2 765 82 82 PRO HG2 H 1.953 0.020 2 766 82 82 PRO HG3 H 1.897 0.020 2 767 82 82 PRO HD2 H 4.000 0.020 2 768 82 82 PRO HD3 H 3.400 0.020 2 769 82 82 PRO CA C 64.188 0.400 1 770 82 82 PRO CB C 31.550 0.400 1 771 82 82 PRO CG C 28.453 0.400 1 772 82 82 PRO CD C 50.473 0.400 1 773 83 83 PHE H H 7.966 0.020 1 774 83 83 PHE HA H 4.199 0.020 1 775 83 83 PHE HB2 H 3.545 0.020 2 776 83 83 PHE HB3 H 3.213 0.020 2 777 83 83 PHE HD1 H 7.096 0.020 1 778 83 83 PHE HD2 H 7.096 0.020 1 779 83 83 PHE HE1 H 7.353 0.020 1 780 83 83 PHE HE2 H 7.353 0.020 1 781 83 83 PHE HZ H 7.388 0.020 1 782 83 83 PHE CA C 60.914 0.400 1 783 83 83 PHE CB C 37.271 0.400 1 784 83 83 PHE CD1 C 131.854 0.400 3 785 83 83 PHE CD2 C 131.948 0.400 3 786 83 83 PHE CE1 C 131.107 0.400 3 787 83 83 PHE CE2 C 131.107 0.400 3 788 83 83 PHE CZ C 129.194 0.400 1 789 83 83 PHE N N 111.249 0.400 1 790 84 84 CYS H H 7.775 0.020 1 791 84 84 CYS HA H 3.979 0.020 1 792 84 84 CYS HB2 H 3.240 0.020 2 793 84 84 CYS HB3 H 2.766 0.020 2 794 84 84 CYS CA C 64.947 0.400 1 795 84 84 CYS CB C 29.852 0.400 1 796 84 84 CYS N N 124.158 0.400 1 797 85 85 LEU H H 8.221 0.020 1 798 85 85 LEU HA H 4.020 0.020 1 799 85 85 LEU HB2 H 1.759 0.020 2 800 85 85 LEU HB3 H 1.759 0.020 2 801 85 85 LEU HG H 1.540 0.020 1 802 85 85 LEU HD1 H 0.943 0.020 2 803 85 85 LEU HD2 H 0.943 0.020 2 804 85 85 LEU CA C 58.341 0.400 1 805 85 85 LEU CB C 41.075 0.400 1 806 85 85 LEU CG C 27.124 0.400 1 807 85 85 LEU CD1 C 24.920 0.400 2 808 85 85 LEU CD2 C 24.111 0.400 2 809 85 85 LEU N N 114.545 0.400 1 810 86 86 ASN H H 7.735 0.020 1 811 86 86 ASN HA H 4.385 0.020 1 812 86 86 ASN HB2 H 2.831 0.020 2 813 86 86 ASN HB3 H 2.831 0.020 2 814 86 86 ASN CA C 56.541 0.400 1 815 86 86 ASN CB C 38.812 0.400 1 816 86 86 ASN N N 115.544 0.400 1 817 87 87 ILE H H 8.409 0.020 1 818 87 87 ILE HA H 4.218 0.020 1 819 87 87 ILE HG2 H 0.835 0.020 1 820 87 87 ILE HD1 H 0.766 0.020 1 821 87 87 ILE CA C 64.596 0.400 1 822 87 87 ILE CB C 38.006 0.400 1 823 87 87 ILE CG2 C 17.768 0.400 1 824 87 87 ILE CD1 C 13.524 0.400 1 825 87 87 ILE N N 120.924 0.400 1 826 88 88 LYS H H 8.541 0.020 1 827 88 88 LYS HA H 4.008 0.020 1 828 88 88 LYS HG2 H 1.446 0.020 2 829 88 88 LYS HG3 H 1.446 0.020 2 830 88 88 LYS HD2 H 1.991 0.020 2 831 88 88 LYS HD3 H 1.991 0.020 2 832 88 88 LYS CA C 60.050 0.400 1 833 88 88 LYS CB C 32.637 0.400 1 834 88 88 LYS CG C 26.000 0.400 1 835 88 88 LYS CD C 30.536 0.400 1 836 88 88 LYS CE C 42.343 0.400 1 837 88 88 LYS N N 120.144 0.400 1 838 89 89 GLN H H 8.033 0.020 1 839 89 89 GLN HA H 4.214 0.020 1 840 89 89 GLN HB2 H 2.178 0.020 2 841 89 89 GLN HB3 H 2.178 0.020 2 842 89 89 GLN HG2 H 2.575 0.020 2 843 89 89 GLN HG3 H 2.436 0.020 2 844 89 89 GLN CA C 57.320 0.400 1 845 89 89 GLN CB C 28.851 0.400 1 846 89 89 GLN CG C 34.196 0.400 1 847 89 89 GLN N N 117.129 0.400 1 848 90 90 LYS H H 7.853 0.020 1 849 90 90 LYS HA H 4.297 0.020 1 850 90 90 LYS HB2 H 1.928 0.020 2 851 90 90 LYS HB3 H 1.928 0.020 2 852 90 90 LYS HG2 H 1.508 0.020 2 853 90 90 LYS HG3 H 1.508 0.020 2 854 90 90 LYS HD2 H 1.683 0.020 2 855 90 90 LYS HD3 H 1.683 0.020 2 856 90 90 LYS HE2 H 2.988 0.020 2 857 90 90 LYS HE3 H 2.988 0.020 2 858 90 90 LYS CA C 56.944 0.400 1 859 90 90 LYS CB C 32.538 0.400 1 860 90 90 LYS CG C 24.842 0.400 1 861 90 90 LYS CD C 29.061 0.400 1 862 90 90 LYS CE C 42.267 0.400 1 863 90 90 LYS N N 119.383 0.400 1 864 91 91 GLY H H 8.151 0.020 1 865 91 91 GLY CA C 45.648 0.400 1 866 91 91 GLY N N 108.202 0.400 1 867 92 92 GLY H H 8.290 0.020 1 868 92 92 GLY HA2 H 4.026 0.020 2 869 92 92 GLY HA3 H 4.026 0.020 2 870 92 92 GLY CA C 45.319 0.400 1 871 92 92 GLY N N 108.623 0.400 1 872 93 93 SER H H 8.337 0.020 1 873 93 93 SER HA H 4.486 0.020 1 874 93 93 SER HB2 H 3.901 0.020 2 875 93 93 SER HB3 H 3.901 0.020 2 876 93 93 SER CA C 58.672 0.400 1 877 93 93 SER CB C 63.867 0.400 1 878 93 93 SER N N 115.680 0.400 1 879 94 94 GLY H H 8.503 0.020 1 880 94 94 GLY HA2 H 3.998 0.020 2 881 94 94 GLY HA3 H 3.998 0.020 2 882 94 94 GLY CA C 45.448 0.400 1 883 94 94 GLY N N 110.823 0.400 1 884 95 95 GLY H H 8.317 0.020 1 885 95 95 GLY CA C 45.340 0.400 1 886 95 95 GLY N N 108.800 0.400 1 887 96 96 GLY HA2 H 4.049 0.020 2 888 96 96 GLY HA3 H 4.049 0.020 2 889 96 96 GLY CA C 45.341 0.400 1 890 97 97 THR H H 8.165 0.020 1 891 97 97 THR HA H 4.396 0.020 1 892 97 97 THR HB H 4.313 0.020 1 893 97 97 THR HG2 H 1.201 0.020 1 894 97 97 THR CA C 61.955 0.400 1 895 97 97 THR CB C 69.817 0.400 1 896 97 97 THR CG2 C 21.584 0.400 1 897 97 97 THR N N 112.759 0.400 1 898 98 98 GLY H H 8.512 0.020 1 899 98 98 GLY CA C 45.528 0.400 1 900 98 98 GLY N N 111.233 0.400 1 901 99 99 GLY HA2 H 4.012 0.020 2 902 99 99 GLY HA3 H 4.012 0.020 2 903 99 99 GLY CA C 45.658 0.400 1 904 100 100 GLY H H 8.207 0.020 1 905 100 100 GLY HA2 H 4.024 0.020 2 906 100 100 GLY HA3 H 4.024 0.020 2 907 100 100 GLY CA C 45.430 0.400 1 908 100 100 GLY N N 108.429 0.400 1 909 101 101 SER H H 8.301 0.020 1 910 101 101 SER CA C 58.551 0.400 1 911 101 101 SER CB C 63.944 0.400 1 912 101 101 SER N N 115.461 0.400 1 913 102 102 GLY HA2 H 4.020 0.020 2 914 102 102 GLY HA3 H 4.020 0.020 2 915 102 102 GLY CA C 45.464 0.400 1 916 103 103 THR H H 8.018 0.020 1 917 103 103 THR HA H 4.398 0.020 1 918 103 103 THR HB H 4.216 0.020 1 919 103 103 THR HG2 H 1.176 0.020 1 920 103 103 THR CA C 61.805 0.400 1 921 103 103 THR CB C 70.095 0.400 1 922 103 103 THR CG2 C 21.644 0.400 1 923 103 103 THR N N 113.757 0.400 1 924 104 104 ILE H H 8.226 0.020 1 925 104 104 ILE HA H 4.165 0.020 1 926 104 104 ILE HB H 1.853 0.020 1 927 104 104 ILE HG12 H 1.464 0.020 2 928 104 104 ILE HG13 H 1.171 0.020 2 929 104 104 ILE HG2 H 0.888 0.020 1 930 104 104 ILE HD1 H 0.834 0.020 1 931 104 104 ILE CA C 61.441 0.400 1 932 104 104 ILE CB C 38.724 0.400 1 933 104 104 ILE CG1 C 27.418 0.400 1 934 104 104 ILE CG2 C 17.602 0.400 1 935 104 104 ILE CD1 C 13.039 0.400 1 936 104 104 ILE N N 122.790 0.400 1 937 105 105 GLU H H 8.522 0.020 1 938 105 105 GLU HA H 4.266 0.020 1 939 105 105 GLU HB2 H 2.039 0.020 2 940 105 105 GLU HB3 H 1.966 0.020 2 941 105 105 GLU HG2 H 2.271 0.020 2 942 105 105 GLU HG3 H 2.271 0.020 2 943 105 105 GLU CA C 56.980 0.400 1 944 105 105 GLU CB C 30.206 0.400 1 945 105 105 GLU CG C 36.315 0.400 1 946 105 105 GLU N N 124.605 0.400 1 947 106 106 GLY H H 8.397 0.020 1 948 106 106 GLY HA2 H 3.959 0.020 2 949 106 106 GLY HA3 H 3.959 0.020 2 950 106 106 GLY CA C 45.508 0.400 1 951 106 106 GLY N N 110.009 0.400 1 952 107 107 ARG H H 8.170 0.020 1 953 107 107 ARG HA H 4.383 0.020 1 954 107 107 ARG HB2 H 1.909 0.020 2 955 107 107 ARG HB3 H 1.781 0.020 2 956 107 107 ARG HG2 H 1.638 0.020 2 957 107 107 ARG HG3 H 1.638 0.020 2 958 107 107 ARG HD2 H 3.189 0.020 2 959 107 107 ARG HD3 H 3.189 0.020 2 960 107 107 ARG CA C 56.171 0.400 1 961 107 107 ARG CB C 30.981 0.400 1 962 107 107 ARG CG C 27.166 0.400 1 963 107 107 ARG CD C 43.431 0.400 1 964 107 107 ARG N N 120.136 0.400 1 965 108 108 GLY H H 8.463 0.020 1 966 108 108 GLY HA2 H 3.980 0.020 2 967 108 108 GLY HA3 H 3.980 0.020 2 968 108 108 GLY CA C 45.474 0.400 1 969 108 108 GLY N N 109.759 0.400 1 970 109 109 ASP H H 8.258 0.020 1 971 109 109 ASP HA H 4.637 0.020 1 972 109 109 ASP HB2 H 2.732 0.020 2 973 109 109 ASP HB3 H 2.703 0.020 2 974 109 109 ASP CA C 54.178 0.400 1 975 109 109 ASP CB C 41.394 0.400 1 976 109 109 ASP N N 120.158 0.400 1 977 110 110 GLY H H 8.485 0.020 1 978 110 110 GLY HA2 H 3.971 0.020 2 979 110 110 GLY HA3 H 3.971 0.020 2 980 110 110 GLY CA C 45.748 0.400 1 981 110 110 GLY N N 109.348 0.400 1 982 111 111 GLY H H 8.380 0.020 1 983 111 111 GLY HA2 H 4.003 0.020 2 984 111 111 GLY HA3 H 4.003 0.020 2 985 111 111 GLY CA C 45.553 0.400 1 986 111 111 GLY N N 108.746 0.400 1 987 112 112 THR H H 8.082 0.020 1 988 112 112 THR HA H 4.379 0.020 1 989 112 112 THR HB H 4.210 0.020 1 990 112 112 THR HG2 H 1.146 0.020 1 991 112 112 THR CA C 62.172 0.400 1 992 112 112 THR CB C 69.811 0.400 1 993 112 112 THR CG2 C 21.661 0.400 1 994 112 112 THR N N 113.656 0.400 1 995 113 113 THR H H 8.147 0.020 1 996 113 113 THR HA H 4.277 0.020 1 997 113 113 THR HG2 H 1.147 0.020 1 998 113 113 THR CA C 62.412 0.400 1 999 113 113 THR CB C 69.806 0.400 1 1000 113 113 THR CG2 C 21.761 0.400 1 1001 113 113 THR N N 115.936 0.400 1 1002 114 114 PHE H H 8.330 0.020 1 1003 114 114 PHE HA H 4.389 0.020 1 1004 114 114 PHE HB2 H 3.003 0.020 2 1005 114 114 PHE HB3 H 3.003 0.020 2 1006 114 114 PHE HD1 H 7.133 0.020 1 1007 114 114 PHE HD2 H 7.133 0.020 1 1008 114 114 PHE HE1 H 7.192 0.020 1 1009 114 114 PHE HE2 H 7.192 0.020 1 1010 114 114 PHE HZ H 7.079 0.020 1 1011 114 114 PHE CA C 59.234 0.400 1 1012 114 114 PHE CB C 39.097 0.400 1 1013 114 114 PHE CD1 C 131.854 0.400 3 1014 114 114 PHE CD2 C 131.854 0.400 3 1015 114 114 PHE CE1 C 131.214 0.400 3 1016 114 114 PHE CE2 C 131.186 0.400 3 1017 114 114 PHE CZ C 129.563 0.400 1 1018 114 114 PHE N N 120.906 0.400 1 1019 115 115 GLU H H 8.313 0.020 1 1020 115 115 GLU HA H 3.854 0.020 1 1021 115 115 GLU HG2 H 2.172 0.020 2 1022 115 115 GLU HG3 H 2.172 0.020 2 1023 115 115 GLU CA C 58.478 0.400 1 1024 115 115 GLU CB C 29.637 0.400 1 1025 115 115 GLU CG C 36.363 0.400 1 1026 115 115 GLU N N 119.813 0.400 1 1027 116 116 HIS H H 8.105 0.020 1 1028 116 116 HIS HA H 4.455 0.020 1 1029 116 116 HIS HB2 H 3.067 0.020 2 1030 116 116 HIS HB3 H 3.067 0.020 2 1031 116 116 HIS HD2 H 7.027 0.020 1 1032 116 116 HIS HE1 H 8.050 0.020 1 1033 116 116 HIS CA C 57.029 0.400 1 1034 116 116 HIS CB C 29.646 0.400 1 1035 116 116 HIS CD2 C 119.638 0.400 1 1036 116 116 HIS CE1 C 137.991 0.400 1 1037 116 116 HIS N N 117.783 0.400 1 1038 116 116 HIS ND1 N 176.543 0.400 1 1039 116 116 HIS NE2 N 209.292 0.400 1 1040 117 117 LEU H H 7.850 0.020 1 1041 117 117 LEU HA H 4.080 0.020 1 1042 117 117 LEU HB2 H 1.522 0.020 2 1043 117 117 LEU HB3 H 1.358 0.020 2 1044 117 117 LEU HG H 1.358 0.020 1 1045 117 117 LEU HD1 H 0.757 0.020 2 1046 117 117 LEU HD2 H 0.718 0.020 2 1047 117 117 LEU CA C 56.686 0.400 1 1048 117 117 LEU CB C 42.088 0.400 1 1049 117 117 LEU CG C 26.801 0.400 1 1050 117 117 LEU CD1 C 25.074 0.400 2 1051 117 117 LEU CD2 C 23.987 0.400 2 1052 117 117 LEU N N 121.366 0.400 1 1053 118 118 TRP H H 7.944 0.020 1 1054 118 118 TRP HA H 4.512 0.020 1 1055 118 118 TRP HB2 H 3.210 0.020 2 1056 118 118 TRP HB3 H 3.117 0.020 2 1057 118 118 TRP HD1 H 7.099 0.020 1 1058 118 118 TRP HE1 H 10.038 0.020 1 1059 118 118 TRP HE3 H 7.429 0.020 1 1060 118 118 TRP HZ2 H 7.330 0.020 1 1061 118 118 TRP HZ3 H 6.984 0.020 1 1062 118 118 TRP HH2 H 7.047 0.020 1 1063 118 118 TRP CA C 58.094 0.400 1 1064 118 118 TRP CB C 29.241 0.400 1 1065 118 118 TRP CD1 C 127.164 0.400 1 1066 118 118 TRP CE3 C 120.743 0.400 1 1067 118 118 TRP CZ2 C 114.446 0.400 1 1068 118 118 TRP CZ3 C 121.777 0.400 1 1069 118 118 TRP CH2 C 124.291 0.400 1 1070 118 118 TRP N N 118.267 0.400 1 1071 118 118 TRP NE1 N 129.004 0.400 1 1072 119 119 SER H H 7.874 0.020 1 1073 119 119 SER HA H 4.300 0.020 1 1074 119 119 SER HB2 H 3.895 0.020 2 1075 119 119 SER HB3 H 3.777 0.020 2 1076 119 119 SER CA C 59.694 0.400 1 1077 119 119 SER CB C 63.539 0.400 1 1078 119 119 SER N N 114.542 0.400 1 1079 120 120 SER H H 7.909 0.020 1 1080 120 120 SER HA H 4.425 0.020 1 1081 120 120 SER HB2 H 3.886 0.020 2 1082 120 120 SER HB3 H 3.849 0.020 2 1083 120 120 SER CA C 58.959 0.400 1 1084 120 120 SER CB C 63.773 0.400 1 1085 120 120 SER N N 116.196 0.400 1 1086 121 121 LEU H H 7.686 0.020 1 1087 121 121 LEU HA H 4.304 0.020 1 1088 121 121 LEU HB2 H 1.608 0.020 2 1089 121 121 LEU HB3 H 1.608 0.020 2 1090 121 121 LEU HG H 1.521 0.020 1 1091 121 121 LEU HD1 H 0.775 0.020 2 1092 121 121 LEU HD2 H 0.775 0.020 2 1093 121 121 LEU CA C 55.085 0.400 1 1094 121 121 LEU CB C 42.557 0.400 1 1095 121 121 LEU CG C 26.724 0.400 1 1096 121 121 LEU CD1 C 25.325 0.400 2 1097 121 121 LEU CD2 C 23.782 0.400 2 1098 121 121 LEU N N 122.446 0.400 1 1099 122 122 GLU H H 8.198 0.020 1 1100 122 122 GLU CA C 54.401 0.400 1 1101 122 122 GLU CB C 29.764 0.400 1 1102 122 122 GLU N N 122.105 0.400 1 1103 123 123 PRO HA H 4.285 0.020 1 1104 123 123 PRO HB2 H 2.128 0.020 2 1105 123 123 PRO HB3 H 2.128 0.020 2 1106 123 123 PRO HG2 H 1.944 0.020 2 1107 123 123 PRO HG3 H 1.874 0.020 2 1108 123 123 PRO HD2 H 3.694 0.020 2 1109 123 123 PRO HD3 H 3.694 0.020 2 1110 123 123 PRO CA C 63.802 0.400 1 1111 123 123 PRO CB C 32.000 0.400 1 1112 123 123 PRO CG C 27.451 0.400 1 1113 123 123 PRO CD C 50.534 0.400 1 1114 124 124 ASP H H 8.342 0.020 1 1115 124 124 ASP HA H 4.636 0.020 1 1116 124 124 ASP HB2 H 2.716 0.020 2 1117 124 124 ASP HB3 H 2.716 0.020 2 1118 124 124 ASP CA C 54.131 0.400 1 1119 124 124 ASP CB C 41.096 0.400 1 1120 124 124 ASP N N 118.817 0.400 1 1121 125 125 SER H H 8.102 0.020 1 1122 125 125 SER HA H 4.348 0.020 1 1123 125 125 SER HB2 H 3.947 0.020 2 1124 125 125 SER HB3 H 3.780 0.020 2 1125 125 125 SER CA C 59.145 0.400 1 1126 125 125 SER CB C 63.793 0.400 1 1127 125 125 SER N N 115.875 0.400 1 1128 126 126 THR H H 8.199 0.020 1 1129 126 126 THR HA H 4.202 0.020 1 1130 126 126 THR HB H 4.082 0.020 1 1131 126 126 THR HG2 H 1.044 0.020 1 1132 126 126 THR CA C 62.974 0.400 1 1133 126 126 THR CB C 69.380 0.400 1 1134 126 126 THR CG2 C 21.594 0.400 1 1135 126 126 THR N N 115.679 0.400 1 1136 127 127 TYR H H 7.891 0.020 1 1137 127 127 TYR HA H 4.310 0.020 1 1138 127 127 TYR HB2 H 2.740 0.020 2 1139 127 127 TYR HB3 H 2.693 0.020 2 1140 127 127 TYR HD1 H 6.829 0.020 1 1141 127 127 TYR HD2 H 6.829 0.020 1 1142 127 127 TYR HE1 H 6.694 0.020 1 1143 127 127 TYR HE2 H 6.694 0.020 1 1144 127 127 TYR CA C 58.900 0.400 1 1145 127 127 TYR CB C 38.821 0.400 1 1146 127 127 TYR CD1 C 132.975 0.400 3 1147 127 127 TYR CD2 C 132.895 0.400 3 1148 127 127 TYR CE1 C 118.218 0.400 3 1149 127 127 TYR CE2 C 118.256 0.400 3 1150 127 127 TYR N N 120.976 0.400 1 1151 128 128 PHE H H 7.838 0.020 1 1152 128 128 PHE HA H 4.556 0.020 1 1153 128 128 PHE HB2 H 3.175 0.020 2 1154 128 128 PHE HB3 H 2.912 0.020 2 1155 128 128 PHE HD1 H 7.227 0.020 1 1156 128 128 PHE HD2 H 7.227 0.020 1 1157 128 128 PHE HE1 H 7.282 0.020 1 1158 128 128 PHE HE2 H 7.282 0.020 1 1159 128 128 PHE HZ H 7.140 0.020 1 1160 128 128 PHE CA C 57.242 0.400 1 1161 128 128 PHE CB C 39.643 0.400 1 1162 128 128 PHE CD1 C 131.980 0.400 3 1163 128 128 PHE CD2 C 131.977 0.400 3 1164 128 128 PHE CE1 C 131.192 0.400 3 1165 128 128 PHE CE2 C 131.206 0.400 3 1166 128 128 PHE CZ C 129.256 0.400 1 1167 128 128 PHE N N 117.628 0.400 1 1168 129 129 ASP H H 8.128 0.020 1 1169 129 129 ASP HA H 4.656 0.020 1 1170 129 129 ASP HB2 H 2.744 0.020 2 1171 129 129 ASP HB3 H 2.561 0.020 2 1172 129 129 ASP CA C 54.260 0.400 1 1173 129 129 ASP CB C 40.891 0.400 1 1174 129 129 ASP N N 121.406 0.400 1 1175 130 130 LEU H H 7.575 0.020 1 1176 130 130 LEU CA C 56.651 0.400 1 1177 130 130 LEU CB C 43.776 0.400 1 1178 130 130 LEU N N 127.202 0.400 1 stop_ save_