data_18166 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Solution NMR Structure of Stress-induced-phosphoprotein 1 STI1 from Homo sapiens, Northeast Structural Genomics Consortium Target HR4403E ; _BMRB_accession_number 18166 _BMRB_flat_file_name bmr18166.str _Entry_type original _Submission_date 2011-12-28 _Accession_date 2011-12-28 _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 Tang Yuefeng . . 2 Liu Gaohua . . 3 Hamilton Keith . . 4 Ciccosanti Colleen . . 5 Shastry Ritu . . 6 Rost Burkhard . . 7 Acton Tom B. . 8 Xiao Rong . . 9 Everett John K. . 10 Montelione Gaetano T. . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 791 "13C chemical shifts" 560 "15N chemical shifts" 141 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2012-02-17 original author . stop_ loop_ _Related_BMRB_accession_number _Relationship 18145 OR135 18161 OR134 stop_ _Original_release_date 2012-02-17 save_ ############################# # Citation for this entry # ############################# save_citations _Saveframe_category entry_citation _Citation_full . _Citation_title 'Northeast Structural Genomics Consortium Target HR4403E' _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 Tang Yuefeng . . 2 Liu Gaohua . . 3 Hamilton Keith . . 4 Ciccosanti Colleen . . 5 Shastry Ritu . . 6 Rost Burkhard . . 7 Acton Tom B. . 8 Xiao Rong . . 9 Everett John K. . 10 Montelione Gaetano T. . stop_ _Journal_abbreviation 'To be published' _Journal_volume . _Journal_issue . _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first . _Page_last . _Year . _Details . save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name HR4403E _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label HR4403E $HR4403E stop_ _System_molecular_weight . _System_physical_state native _System_oligomer_state ? _System_paramagnetic no _System_thiol_state . _Database_query_date . _Details . save_ ######################## # Monomeric polymers # ######################## save_HR4403E _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common HR4403E _Molecular_mass 15365.743 _Mol_thiol_state 'all free' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 133 _Mol_residue_sequence ; MGHHHHHHSHMNPDLALMVK NKGNECFQKGDYPQAMKHYT EAIKRNPKDAKLYSNRAACY TKLLEFQLALKDCEECIQLE PTFIKGYTRKAAALEAMKDY TKAMDVYQKALDLDSSCKEA ADGYQRCMMAQYN ; loop_ _Residue_seq_code _Residue_label 1 MET 2 GLY 3 HIS 4 HIS 5 HIS 6 HIS 7 HIS 8 HIS 9 SER 10 HIS 11 MET 12 ASN 13 PRO 14 ASP 15 LEU 16 ALA 17 LEU 18 MET 19 VAL 20 LYS 21 ASN 22 LYS 23 GLY 24 ASN 25 GLU 26 CYS 27 PHE 28 GLN 29 LYS 30 GLY 31 ASP 32 TYR 33 PRO 34 GLN 35 ALA 36 MET 37 LYS 38 HIS 39 TYR 40 THR 41 GLU 42 ALA 43 ILE 44 LYS 45 ARG 46 ASN 47 PRO 48 LYS 49 ASP 50 ALA 51 LYS 52 LEU 53 TYR 54 SER 55 ASN 56 ARG 57 ALA 58 ALA 59 CYS 60 TYR 61 THR 62 LYS 63 LEU 64 LEU 65 GLU 66 PHE 67 GLN 68 LEU 69 ALA 70 LEU 71 LYS 72 ASP 73 CYS 74 GLU 75 GLU 76 CYS 77 ILE 78 GLN 79 LEU 80 GLU 81 PRO 82 THR 83 PHE 84 ILE 85 LYS 86 GLY 87 TYR 88 THR 89 ARG 90 LYS 91 ALA 92 ALA 93 ALA 94 LEU 95 GLU 96 ALA 97 MET 98 LYS 99 ASP 100 TYR 101 THR 102 LYS 103 ALA 104 MET 105 ASP 106 VAL 107 TYR 108 GLN 109 LYS 110 ALA 111 LEU 112 ASP 113 LEU 114 ASP 115 SER 116 SER 117 CYS 118 LYS 119 GLU 120 ALA 121 ALA 122 ASP 123 GLY 124 TYR 125 GLN 126 ARG 127 CYS 128 MET 129 MET 130 ALA 131 GLN 132 TYR 133 ASN stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date 2014-05-12 loop_ _Database_name _Database_accession_code _Database_entry_mol_name _Sequence_query_to_submitted_percentage _Sequence_subject_length _Sequence_identity _Sequence_positive _Sequence_homology_expectation_value PDB 2LNI "Solution Nmr Structure Of Stress-Induced-Phosphoprotein 1 Sti1 From Homo Sapiens, Northeast Structural Genomics Consortium Targ" 100.00 133 100.00 100.00 3.34e-93 stop_ 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 $HR4403E Human 9606 Eukaryota Metazoa Homo sapiens STIP1 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 $HR4403E 'recombinant technology' . Escherichia coli BL21(DE3)pMgK HR4403E-356-477-14.2 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Saveframe_category sample _Sample_type solution _Details '0.807 mM [U-100% 13C; U-100% 15N] HR4403E, 95% H2O/5% D2O' loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $HR4403E 0.807 mM '[U-100% 13C; U-100% 15N]' H2O 95 % 'natural abundance' D2O 5 % 'natural abundance' stop_ save_ save_sample_2 _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $HR4403E 0.763 mM '[U-5% 13C; U-100% 15N]' H2O 95 % 'natural abundance' D2O 5 % 'natural abundance' stop_ save_ save_sample_3 _Saveframe_category sample _Sample_type solution _Details '0.4 mM [U-100% 13C; U-100% 15N] HR4403E, 100% D2O' loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $HR4403E 0.4 mM '[U-100% 13C; U-100% 15N]' D2O 100 % 'natural abundance' stop_ save_ ############################ # Computer software used # ############################ save_CNS _Saveframe_category software _Name CNS _Version . loop_ _Vendor _Address _Electronic_address 'Brunger, Adams, Clore, Gros, Nilges and Read' . . stop_ loop_ _Task 'refinemen,structure solution,geometry optimization' stop_ _Details . save_ save_CYANA _Saveframe_category software _Name CYANA _Version 3.0 loop_ _Vendor _Address _Electronic_address 'Guntert, Mumenthaler and Wuthrich' . . stop_ loop_ _Task 'refinement,geometry optimization,structure solution' stop_ _Details . save_ save_AutoStructure _Saveframe_category software _Name AutoStruct _Version 2.1 loop_ _Vendor _Address _Electronic_address 'Huang, Tejero, Powers and Montelione' . . stop_ loop_ _Task 'data analysis,refinement' stop_ _Details . save_ save_AutoAssign _Saveframe_category software _Name AutoAssign _Version 2.1 loop_ _Vendor _Address _Electronic_address 'Zimmerman, Moseley, Kulikowski and Montelione' . . stop_ loop_ _Task 'data analysis,chemical shift assignment' stop_ _Details . save_ save_NMRPipe _Saveframe_category software _Name NMRPipe _Version . loop_ _Vendor _Address _Electronic_address 'Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax' . . stop_ loop_ _Task processing stop_ _Details . save_ save_XEASY _Saveframe_category software _Name XEASY _Version . loop_ _Vendor _Address _Electronic_address 'Bartels et al.' . . stop_ loop_ _Task 'data analysis,peak picking,chemical shift assignment' stop_ _Details . save_ save_TOPSPIN _Saveframe_category software _Name TOPSPIN _Version . loop_ _Vendor _Address _Electronic_address 'Bruker Biospin' . . stop_ loop_ _Task collection stop_ _Details . save_ save_VNMRJ _Saveframe_category software _Name VNMRJ _Version . loop_ _Vendor _Address _Electronic_address Varian . . stop_ loop_ _Task collection stop_ _Details . save_ save_PINE _Saveframe_category software _Name PINE _Version . loop_ _Vendor _Address _Electronic_address 'Bahrami, Markley, Assadi, and Eghbalnia' . . stop_ loop_ _Task 'chemical shift assignment' stop_ _Details . save_ save_SPARKY _Saveframe_category software _Name SPARKY _Version . loop_ _Vendor _Address _Electronic_address Goddard . . stop_ loop_ _Task 'data analysis' stop_ _Details . save_ save_TALOS+ _Saveframe_category software _Name TALOS+ _Version . loop_ _Vendor _Address _Electronic_address 'Shen, Cornilescu, Delaglio and Bax' . . stop_ loop_ _Task 'geometry optimization' stop_ _Details . save_ save_PALES _Saveframe_category software _Name PALES _Version . loop_ _Vendor _Address _Electronic_address 'PALES (Zweckstetter, Bax)' . . stop_ loop_ _Task 'geometry optimization' stop_ _Details . save_ save_REDCAT _Saveframe_category software _Name REDCAT _Version . loop_ _Vendor _Address _Electronic_address 'Valafar, Prestegard' . . stop_ loop_ _Task 'geometry optimization' stop_ _Details . save_ save_PSVS _Saveframe_category software _Name PSVS _Version . loop_ _Vendor _Address _Electronic_address 'Bhattacharya, Montelione' . . stop_ loop_ _Task 'structure validation' stop_ _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model Avance _Field_strength 800 _Details . save_ ############################# # NMR applied experiments # ############################# save_2D_1H-15N_HSQC_1 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-15N HSQC' _Sample_label $sample_1 save_ save_2D_1H-13C_HSQC_2 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-13C HSQC' _Sample_label $sample_1 save_ save_3D_HNCO_3 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCO' _Sample_label $sample_1 save_ save_3D_CBCA(CO)NH_4 _Saveframe_category NMR_applied_experiment _Experiment_name '3D CBCA(CO)NH' _Sample_label $sample_1 save_ save_3D_HNCACB_5 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCACB' _Sample_label $sample_1 save_ save_3D_1H-13C_arom_NOESY_6 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-13C arom NOESY' _Sample_label $sample_1 save_ save_3D_simutaneous_13C-aromatic,13C-aliphatic,15N_edited_1H-1H_NOESY_7 _Saveframe_category NMR_applied_experiment _Experiment_name '3D simutaneous 13C-aromatic,13C-aliphatic,15N edited 1H-1H NOESY' _Sample_label $sample_1 save_ save_2D_1H-13C_HSQC_8 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-13C HSQC' _Sample_label $sample_2 save_ save_2D_1H-13C_HSQC_aromatic_9 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-13C HSQC aromatic' _Sample_label $sample_3 save_ save_3D_HCCH-TOCSY_10 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HCCH-TOCSY' _Sample_label $sample_1 save_ save_3D_HCCH-COSY_11 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HCCH-COSY' _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 pH 4.5 . pH pressure 1 . atm temperature 293 . K stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference_1 _Saveframe_category chemical_shift_reference _Details . loop_ _Mol_common_name _Atom_type _Atom_isotope_number _Atom_group _Chem_shift_units _Chem_shift_value _Reference_method _Reference_type _External_reference_sample_geometry _External_reference_location _External_reference_axis _Indirect_shift_ratio DSS C 13 'methyl protons' ppm 0.00 na indirect . . . 0.251449530 DSS H 1 'methyl protons' ppm 0.00 internal direct . . . 1.000000000 DSS N 15 'methyl protons' ppm 0.00 na 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_ _Experiment_label '2D 1H-15N HSQC' '2D 1H-13C HSQC' '3D HNCO' '3D CBCA(CO)NH' '3D HNCACB' '3D simutaneous 13C-aromatic,13C-aliphatic,15N edited 1H-1H NOESY' '3D HCCH-TOCSY' '3D HCCH-COSY' 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 HR4403E _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 MET C C 178.093 0.400 1 2 2 2 GLY C C 174.129 0.400 1 3 2 2 GLY H H 8.520 0.020 1 4 2 2 GLY HA2 H 3.887 0.020 1 5 2 2 GLY HA3 H 3.887 0.020 1 6 2 2 GLY CA C 44.810 0.400 1 7 2 2 GLY N N 109.986 0.400 1 8 3 3 HIS C C 174.443 0.400 1 9 3 3 HIS H H 8.406 0.020 1 10 3 3 HIS HA H 4.620 0.020 1 11 3 3 HIS HB2 H 3.027 0.020 1 12 3 3 HIS HB3 H 3.026 0.020 1 13 3 3 HIS CB C 28.428 0.400 1 14 3 3 HIS N N 117.442 0.400 1 15 4 4 HIS C C 174.194 0.400 1 16 4 4 HIS H H 8.552 0.020 1 17 4 4 HIS HA H 4.628 0.020 1 18 4 4 HIS HB2 H 3.164 0.020 2 19 4 4 HIS HB3 H 3.174 0.020 2 20 4 4 HIS CA C 54.907 0.400 1 21 4 4 HIS CB C 28.198 0.400 1 22 4 4 HIS N N 118.932 0.400 1 23 5 5 HIS C C 174.067 0.400 1 24 5 5 HIS H H 8.615 0.020 1 25 5 5 HIS HA H 4.648 0.020 1 26 5 5 HIS HB2 H 3.203 0.020 2 27 5 5 HIS HB3 H 3.077 0.020 2 28 5 5 HIS CA C 55.133 0.400 1 29 5 5 HIS CB C 28.761 0.400 1 30 5 5 HIS N N 119.580 0.400 1 31 6 6 HIS C C 174.200 0.400 1 32 6 6 HIS H H 8.732 0.020 1 33 6 6 HIS HA H 4.648 0.020 1 34 6 6 HIS HB2 H 3.087 0.020 2 35 6 6 HIS HB3 H 3.156 0.020 2 36 6 6 HIS CA C 54.949 0.400 1 37 6 6 HIS CB C 29.100 0.400 1 38 6 6 HIS N N 121.369 0.400 1 39 7 7 HIS C C 174.257 0.400 1 40 7 7 HIS H H 8.708 0.020 1 41 7 7 HIS HA H 4.642 0.020 1 42 7 7 HIS HB2 H 3.151 0.020 2 43 7 7 HIS HB3 H 3.077 0.020 2 44 7 7 HIS CA C 55.147 0.400 1 45 7 7 HIS CB C 28.825 0.400 1 46 7 7 HIS N N 120.276 0.400 1 47 8 8 HIS C C 174.181 0.400 1 48 8 8 HIS H H 8.708 0.020 1 49 8 8 HIS HA H 4.696 0.020 1 50 8 8 HIS HB2 H 3.184 0.020 2 51 8 8 HIS HB3 H 3.070 0.020 2 52 8 8 HIS HD2 H 7.080 0.020 1 53 8 8 HIS CA C 54.861 0.400 1 54 8 8 HIS CB C 28.696 0.400 1 55 8 8 HIS N N 120.007 0.400 1 56 9 9 SER C C 174.175 0.400 1 57 9 9 SER H H 8.535 0.020 1 58 9 9 SER HA H 4.404 0.020 1 59 9 9 SER HB2 H 3.808 0.020 2 60 9 9 SER HB3 H 3.806 0.020 2 61 9 9 SER CA C 57.718 0.400 1 62 9 9 SER CB C 63.246 0.400 1 63 9 9 SER N N 117.977 0.400 1 64 10 10 HIS C C 174.146 0.400 1 65 10 10 HIS H H 8.744 0.020 1 66 10 10 HIS HA H 4.695 0.020 1 67 10 10 HIS HB2 H 3.164 0.020 2 68 10 10 HIS HB3 H 3.239 0.020 2 69 10 10 HIS N N 120.441 0.400 1 70 11 11 MET C C 175.470 0.400 1 71 11 11 MET H H 8.443 0.020 1 72 11 11 MET HA H 4.427 0.020 1 73 11 11 MET HB2 H 1.983 0.020 2 74 11 11 MET HB3 H 1.917 0.020 2 75 11 11 MET HG2 H 2.464 0.020 2 76 11 11 MET HG3 H 2.505 0.020 2 77 11 11 MET CA C 54.665 0.400 1 78 11 11 MET CB C 32.913 0.400 1 79 11 11 MET CG C 31.340 0.400 1 80 11 11 MET N N 122.004 0.400 1 81 12 12 ASN H H 8.631 0.020 1 82 12 12 ASN HA H 4.937 0.020 1 83 12 12 ASN HB2 H 2.854 0.020 2 84 12 12 ASN HB3 H 2.711 0.020 2 85 12 12 ASN HD21 H 7.708 0.020 2 86 12 12 ASN HD22 H 7.061 0.020 2 87 12 12 ASN CA C 51.380 0.400 1 88 12 12 ASN CB C 38.313 0.400 1 89 12 12 ASN N N 121.852 0.400 1 90 12 12 ASN ND2 N 113.047 0.400 1 91 13 13 PRO C C 176.648 0.400 1 92 13 13 PRO HA H 4.360 0.020 1 93 13 13 PRO HB2 H 2.250 0.020 2 94 13 13 PRO HB3 H 1.892 0.020 2 95 13 13 PRO HG2 H 1.992 0.020 1 96 13 13 PRO HG3 H 1.992 0.020 1 97 13 13 PRO HD2 H 3.796 0.020 2 98 13 13 PRO HD3 H 3.764 0.020 2 99 13 13 PRO CA C 63.149 0.400 1 100 13 13 PRO CB C 31.752 0.400 1 101 13 13 PRO CG C 26.914 0.400 1 102 13 13 PRO CD C 50.189 0.400 1 103 14 14 ASP C C 176.987 0.400 1 104 14 14 ASP H H 8.344 0.020 1 105 14 14 ASP HA H 4.543 0.020 1 106 14 14 ASP HB2 H 2.611 0.020 2 107 14 14 ASP HB3 H 2.770 0.020 2 108 14 14 ASP CA C 54.028 0.400 1 109 14 14 ASP CB C 39.762 0.400 1 110 14 14 ASP N N 119.643 0.400 1 111 15 15 LEU C C 178.242 0.400 1 112 15 15 LEU H H 8.119 0.020 1 113 15 15 LEU HA H 4.149 0.020 1 114 15 15 LEU HB2 H 1.678 0.020 2 115 15 15 LEU HB3 H 1.555 0.020 2 116 15 15 LEU HG H 1.644 0.020 1 117 15 15 LEU HD1 H 0.922 0.020 2 118 15 15 LEU HD2 H 0.922 0.020 2 119 15 15 LEU CA C 56.443 0.400 1 120 15 15 LEU CB C 41.376 0.400 1 121 15 15 LEU CG C 26.926 0.400 1 122 15 15 LEU CD1 C 24.875 0.400 1 123 15 15 LEU CD2 C 22.923 0.400 1 124 15 15 LEU N N 123.333 0.400 1 125 16 16 ALA C C 178.667 0.400 1 126 16 16 ALA H H 8.212 0.020 1 127 16 16 ALA HA H 4.114 0.020 1 128 16 16 ALA HB H 1.411 0.020 1 129 16 16 ALA CA C 53.370 0.400 1 130 16 16 ALA CB C 18.048 0.400 1 131 16 16 ALA N N 121.879 0.400 1 132 17 17 LEU C C 177.944 0.400 1 133 17 17 LEU H H 7.719 0.020 1 134 17 17 LEU HA H 4.139 0.020 1 135 17 17 LEU HB2 H 1.644 0.020 1 136 17 17 LEU HB3 H 1.645 0.020 1 137 17 17 LEU HG H 1.595 0.020 1 138 17 17 LEU HD1 H 0.917 0.020 2 139 17 17 LEU HD2 H 0.851 0.020 2 140 17 17 LEU CA C 56.109 0.400 1 141 17 17 LEU CB C 41.376 0.400 1 142 17 17 LEU CG C 26.764 0.400 1 143 17 17 LEU CD1 C 24.371 0.400 1 144 17 17 LEU CD2 C 23.699 0.400 1 145 17 17 LEU N N 118.990 0.400 1 146 18 18 MET C C 177.802 0.400 1 147 18 18 MET H H 7.996 0.020 1 148 18 18 MET HA H 4.274 0.020 1 149 18 18 MET HB2 H 2.079 0.020 1 150 18 18 MET HB3 H 2.080 0.020 1 151 18 18 MET HG2 H 2.627 0.020 2 152 18 18 MET HG3 H 2.487 0.020 2 153 18 18 MET HE H 2.052 0.020 1 154 18 18 MET CA C 56.497 0.400 1 155 18 18 MET CB C 31.787 0.400 1 156 18 18 MET CG C 31.596 0.400 1 157 18 18 MET CE C 16.383 0.400 1 158 18 18 MET N N 118.534 0.400 1 159 19 19 VAL C C 177.088 0.400 1 160 19 19 VAL H H 7.915 0.020 1 161 19 19 VAL HA H 3.833 0.020 1 162 19 19 VAL HB H 2.086 0.020 1 163 19 19 VAL HG1 H 0.956 0.020 2 164 19 19 VAL HG2 H 0.975 0.020 2 165 19 19 VAL CA C 63.734 0.400 1 166 19 19 VAL CB C 31.656 0.400 1 167 19 19 VAL CG1 C 21.602 0.400 1 168 19 19 VAL CG2 C 21.176 0.400 1 169 19 19 VAL N N 119.243 0.400 1 170 20 20 LYS C C 177.014 0.400 1 171 20 20 LYS H H 8.139 0.020 1 172 20 20 LYS HA H 3.977 0.020 1 173 20 20 LYS HB2 H 1.793 0.020 2 174 20 20 LYS HB3 H 1.888 0.020 2 175 20 20 LYS HG2 H 1.434 0.020 2 176 20 20 LYS HG3 H 1.348 0.020 2 177 20 20 LYS HD2 H 1.670 0.020 1 178 20 20 LYS HD3 H 1.669 0.020 1 179 20 20 LYS HE2 H 2.901 0.020 2 180 20 20 LYS HE3 H 2.905 0.020 2 181 20 20 LYS CA C 58.343 0.400 1 182 20 20 LYS CB C 31.996 0.400 1 183 20 20 LYS CG C 24.781 0.400 1 184 20 20 LYS CD C 28.951 0.400 1 185 20 20 LYS CE C 41.604 0.400 1 186 20 20 LYS N N 123.321 0.400 1 187 21 21 ASN C C 176.939 0.400 1 188 21 21 ASN H H 8.349 0.020 1 189 21 21 ASN HA H 4.578 0.020 1 190 21 21 ASN HB2 H 2.833 0.020 2 191 21 21 ASN HB3 H 2.845 0.020 2 192 21 21 ASN HD21 H 7.684 0.020 2 193 21 21 ASN HD22 H 6.826 0.020 2 194 21 21 ASN CA C 54.240 0.400 1 195 21 21 ASN CB C 37.739 0.400 1 196 21 21 ASN N N 118.732 0.400 1 197 21 21 ASN ND2 N 112.265 0.400 1 198 22 22 LYS C C 178.850 0.400 1 199 22 22 LYS H H 8.185 0.020 1 200 22 22 LYS HA H 4.024 0.020 1 201 22 22 LYS HB2 H 1.301 0.020 2 202 22 22 LYS HB3 H 1.166 0.020 2 203 22 22 LYS HG2 H 1.263 0.020 2 204 22 22 LYS HG3 H 1.164 0.020 2 205 22 22 LYS HD2 H 1.422 0.020 2 206 22 22 LYS HD3 H 1.425 0.020 2 207 22 22 LYS HE2 H 2.805 0.020 2 208 22 22 LYS HE3 H 2.811 0.020 2 209 22 22 LYS CA C 58.310 0.400 1 210 22 22 LYS CB C 31.519 0.400 1 211 22 22 LYS CG C 24.258 0.400 1 212 22 22 LYS CD C 28.471 0.400 1 213 22 22 LYS CE C 41.676 0.400 1 214 22 22 LYS N N 121.941 0.400 1 215 23 23 GLY C C 174.154 0.400 1 216 23 23 GLY H H 8.336 0.020 1 217 23 23 GLY HA2 H 3.345 0.020 2 218 23 23 GLY HA3 H 3.108 0.020 2 219 23 23 GLY CA C 47.766 0.400 1 220 23 23 GLY N N 107.792 0.400 1 221 24 24 ASN C C 177.343 0.400 1 222 24 24 ASN H H 8.337 0.020 1 223 24 24 ASN HA H 4.584 0.020 1 224 24 24 ASN HB2 H 2.981 0.020 2 225 24 24 ASN HB3 H 2.899 0.020 2 226 24 24 ASN HD21 H 7.918 0.020 2 227 24 24 ASN HD22 H 6.949 0.020 2 228 24 24 ASN CA C 55.201 0.400 1 229 24 24 ASN CB C 37.570 0.400 1 230 24 24 ASN N N 120.049 0.400 1 231 24 24 ASN ND2 N 112.631 0.400 1 232 25 25 GLU C C 178.990 0.400 1 233 25 25 GLU H H 8.366 0.020 1 234 25 25 GLU HA H 4.047 0.020 1 235 25 25 GLU HB2 H 2.092 0.020 1 236 25 25 GLU HB3 H 2.091 0.020 1 237 25 25 GLU HG2 H 2.374 0.020 2 238 25 25 GLU HG3 H 2.201 0.020 2 239 25 25 GLU CA C 58.976 0.400 1 240 25 25 GLU CB C 29.103 0.400 1 241 25 25 GLU CG C 35.360 0.400 1 242 25 25 GLU N N 121.510 0.400 1 243 26 26 CYS C C 175.996 0.400 1 244 26 26 CYS H H 8.092 0.020 1 245 26 26 CYS HA H 4.102 0.020 1 246 26 26 CYS HB2 H 3.097 0.020 2 247 26 26 CYS HB3 H 2.783 0.020 2 248 26 26 CYS CA C 63.004 0.400 1 249 26 26 CYS CB C 26.256 0.400 1 250 26 26 CYS N N 116.512 0.400 1 251 27 27 PHE C C 178.549 0.400 1 252 27 27 PHE H H 8.756 0.020 1 253 27 27 PHE HA H 3.752 0.020 1 254 27 27 PHE HB2 H 3.189 0.020 2 255 27 27 PHE HB3 H 3.377 0.020 2 256 27 27 PHE HD1 H 7.314 0.020 1 257 27 27 PHE HD2 H 7.315 0.020 1 258 27 27 PHE HE1 H 7.089 0.020 1 259 27 27 PHE HE2 H 7.075 0.020 1 260 27 27 PHE CA C 61.480 0.400 1 261 27 27 PHE CB C 39.902 0.400 1 262 27 27 PHE CD1 C 131.438 0.400 1 263 27 27 PHE CD2 C 131.330 0.400 1 264 27 27 PHE CE1 C 132.359 0.400 1 265 27 27 PHE CE2 C 132.240 0.400 1 266 27 27 PHE N N 122.066 0.400 1 267 28 28 GLN C C 177.254 0.400 1 268 28 28 GLN H H 8.574 0.020 1 269 28 28 GLN HA H 4.016 0.020 1 270 28 28 GLN HB2 H 2.197 0.020 1 271 28 28 GLN HB3 H 2.196 0.020 1 272 28 28 GLN HG2 H 2.548 0.020 2 273 28 28 GLN HG3 H 2.561 0.020 2 274 28 28 GLN HE21 H 7.521 0.020 2 275 28 28 GLN HE22 H 6.902 0.020 2 276 28 28 GLN CA C 58.125 0.400 1 277 28 28 GLN CB C 28.210 0.400 1 278 28 28 GLN CG C 33.457 0.400 1 279 28 28 GLN N N 119.430 0.400 1 280 28 28 GLN NE2 N 111.511 0.400 1 281 29 29 LYS C C 176.583 0.400 1 282 29 29 LYS H H 7.410 0.020 1 283 29 29 LYS HA H 4.244 0.020 1 284 29 29 LYS HB2 H 1.863 0.020 2 285 29 29 LYS HB3 H 1.794 0.020 2 286 29 29 LYS HG2 H 1.500 0.020 2 287 29 29 LYS HG3 H 1.497 0.020 2 288 29 29 LYS HD2 H 1.638 0.020 2 289 29 29 LYS HD3 H 1.635 0.020 2 290 29 29 LYS HE2 H 2.923 0.020 2 291 29 29 LYS HE3 H 2.919 0.020 2 292 29 29 LYS CA C 56.098 0.400 1 293 29 29 LYS CB C 32.536 0.400 1 294 29 29 LYS CG C 24.703 0.400 1 295 29 29 LYS CD C 28.856 0.400 1 296 29 29 LYS CE C 41.867 0.400 1 297 29 29 LYS N N 116.011 0.400 1 298 30 30 GLY C C 173.092 0.400 1 299 30 30 GLY H H 7.566 0.020 1 300 30 30 GLY HA2 H 3.785 0.020 2 301 30 30 GLY HA3 H 2.809 0.020 2 302 30 30 GLY CA C 44.583 0.400 1 303 30 30 GLY N N 107.636 0.400 1 304 31 31 ASP C C 175.990 0.400 1 305 31 31 ASP H H 7.826 0.020 1 306 31 31 ASP HA H 4.668 0.020 1 307 31 31 ASP HB2 H 2.693 0.020 2 308 31 31 ASP HB3 H 2.278 0.020 2 309 31 31 ASP CA C 51.041 0.400 1 310 31 31 ASP CB C 38.718 0.400 1 311 31 31 ASP N N 120.587 0.400 1 312 32 32 TYR H H 7.313 0.020 1 313 32 32 TYR HA H 3.772 0.020 1 314 32 32 TYR HB2 H 2.984 0.020 1 315 32 32 TYR HB3 H 2.983 0.020 1 316 32 32 TYR HD1 H 7.070 0.020 1 317 32 32 TYR HD2 H 7.073 0.020 1 318 32 32 TYR HE1 H 6.346 0.020 1 319 32 32 TYR HE2 H 6.345 0.020 1 320 32 32 TYR CA C 62.254 0.400 1 321 32 32 TYR CD1 C 132.528 0.400 1 322 32 32 TYR CD2 C 132.232 0.400 1 323 32 32 TYR CE1 C 118.792 0.400 1 324 32 32 TYR CE2 C 118.784 0.400 1 325 32 32 TYR N N 120.190 0.400 1 326 33 33 PRO C C 179.592 0.400 1 327 33 33 PRO HA H 4.220 0.020 1 328 33 33 PRO HB2 H 1.895 0.020 2 329 33 33 PRO HB3 H 2.390 0.020 2 330 33 33 PRO HG2 H 1.969 0.020 2 331 33 33 PRO HG3 H 2.222 0.020 2 332 33 33 PRO CA C 66.355 0.400 1 333 33 33 PRO CB C 31.287 0.400 1 334 33 33 PRO CG C 28.059 0.400 1 335 34 34 GLN C C 178.395 0.400 1 336 34 34 GLN H H 7.278 0.020 1 337 34 34 GLN HA H 3.925 0.020 1 338 34 34 GLN HB2 H 1.937 0.020 1 339 34 34 GLN HB3 H 1.936 0.020 1 340 34 34 GLN HG2 H 2.375 0.020 1 341 34 34 GLN HG3 H 2.375 0.020 1 342 34 34 GLN HE21 H 7.420 0.020 2 343 34 34 GLN HE22 H 6.935 0.020 2 344 34 34 GLN CA C 58.164 0.400 1 345 34 34 GLN CB C 28.378 0.400 1 346 34 34 GLN CG C 35.066 0.400 1 347 34 34 GLN N N 115.797 0.400 1 348 34 34 GLN NE2 N 112.794 0.400 1 349 35 35 ALA C C 178.539 0.400 1 350 35 35 ALA H H 8.376 0.020 1 351 35 35 ALA HA H 4.072 0.020 1 352 35 35 ALA HB H 1.612 0.020 1 353 35 35 ALA CA C 55.597 0.400 1 354 35 35 ALA CB C 18.545 0.400 1 355 35 35 ALA N N 121.852 0.400 1 356 36 36 MET C C 178.908 0.400 1 357 36 36 MET H H 8.538 0.020 1 358 36 36 MET HA H 3.887 0.020 1 359 36 36 MET HB2 H 2.076 0.020 2 360 36 36 MET HB3 H 1.929 0.020 2 361 36 36 MET HG2 H 2.317 0.020 2 362 36 36 MET HG3 H 2.082 0.020 2 363 36 36 MET HE H 1.779 0.020 1 364 36 36 MET CA C 59.400 0.400 1 365 36 36 MET CB C 30.626 0.400 1 366 36 36 MET CG C 31.082 0.400 1 367 36 36 MET CE C 16.247 0.400 1 368 36 36 MET N N 116.867 0.400 1 369 37 37 LYS C C 179.343 0.400 1 370 37 37 LYS H H 7.599 0.020 1 371 37 37 LYS HA H 3.912 0.020 1 372 37 37 LYS HB2 H 1.729 0.020 1 373 37 37 LYS HB3 H 1.728 0.020 1 374 37 37 LYS HG2 H 1.486 0.020 2 375 37 37 LYS HG3 H 1.191 0.020 2 376 37 37 LYS HD2 H 1.515 0.020 2 377 37 37 LYS HD3 H 1.501 0.020 2 378 37 37 LYS HE2 H 2.831 0.020 2 379 37 37 LYS HE3 H 2.836 0.020 2 380 37 37 LYS CA C 59.225 0.400 1 381 37 37 LYS CB C 32.196 0.400 1 382 37 37 LYS CG C 24.693 0.400 1 383 37 37 LYS CD C 29.117 0.400 1 384 37 37 LYS CE C 41.667 0.400 1 385 37 37 LYS N N 122.037 0.400 1 386 38 38 HIS C C 178.503 0.400 1 387 38 38 HIS H H 7.908 0.020 1 388 38 38 HIS HA H 4.635 0.020 1 389 38 38 HIS HB2 H 3.104 0.020 2 390 38 38 HIS HB3 H 2.731 0.020 2 391 38 38 HIS HD2 H 8.340 0.020 1 392 38 38 HIS CA C 58.000 0.400 1 393 38 38 HIS CB C 28.000 0.400 1 394 38 38 HIS N N 117.718 0.400 1 395 39 39 TYR C C 177.866 0.400 1 396 39 39 TYR H H 9.156 0.020 1 397 39 39 TYR HA H 4.465 0.020 1 398 39 39 TYR HB2 H 2.929 0.020 2 399 39 39 TYR HB3 H 2.746 0.020 2 400 39 39 TYR HD1 H 6.858 0.020 1 401 39 39 TYR HD2 H 6.866 0.020 1 402 39 39 TYR HE1 H 6.516 0.020 1 403 39 39 TYR HE2 H 6.513 0.020 1 404 39 39 TYR CA C 60.253 0.400 1 405 39 39 TYR CB C 36.791 0.400 1 406 39 39 TYR CD1 C 131.378 0.400 1 407 39 39 TYR CD2 C 131.396 0.400 1 408 39 39 TYR CE1 C 117.067 0.400 1 409 39 39 TYR CE2 C 117.512 0.400 1 410 39 39 TYR N N 118.987 0.400 1 411 40 40 THR C C 175.783 0.400 1 412 40 40 THR H H 8.476 0.020 1 413 40 40 THR HA H 3.872 0.020 1 414 40 40 THR HB H 4.483 0.020 1 415 40 40 THR HG2 H 1.193 0.020 1 416 40 40 THR CA C 67.449 0.400 1 417 40 40 THR CB C 68.728 0.400 1 418 40 40 THR CG2 C 20.332 0.400 1 419 40 40 THR N N 117.147 0.400 1 420 41 41 GLU H H 7.762 0.020 1 421 41 41 GLU HA H 3.979 0.020 1 422 41 41 GLU HB2 H 2.077 0.020 2 423 41 41 GLU HB3 H 2.264 0.020 2 424 41 41 GLU HG2 H 2.347 0.020 2 425 41 41 GLU HG3 H 2.380 0.020 2 426 41 41 GLU CA C 58.745 0.400 1 427 41 41 GLU CB C 28.723 0.400 1 428 41 41 GLU CG C 35.491 0.400 1 429 41 41 GLU N N 122.067 0.400 1 430 42 42 ALA C C 179.878 0.400 1 431 42 42 ALA H H 8.191 0.020 1 432 42 42 ALA HA H 3.969 0.020 1 433 42 42 ALA HB H 1.597 0.020 1 434 42 42 ALA CA C 55.169 0.400 1 435 42 42 ALA CB C 18.370 0.400 1 436 42 42 ALA N N 122.040 0.400 1 437 43 43 ILE C C 176.692 0.400 1 438 43 43 ILE H H 8.427 0.020 1 439 43 43 ILE HA H 3.316 0.020 1 440 43 43 ILE HB H 1.638 0.020 1 441 43 43 ILE HG12 H 0.941 0.020 1 442 43 43 ILE HG13 H 0.941 0.020 1 443 43 43 ILE HG2 H 0.718 0.020 1 444 43 43 ILE HD1 H 0.061 0.020 1 445 43 43 ILE CA C 64.598 0.400 1 446 43 43 ILE CB C 38.487 0.400 1 447 43 43 ILE CG1 C 26.387 0.400 1 448 43 43 ILE CG2 C 17.014 0.400 1 449 43 43 ILE CD1 C 11.781 0.400 1 450 44 44 LYS C C 179.163 0.400 1 451 43 43 ILE N N 122.662 0.400 1 452 44 44 LYS H H 7.473 0.020 1 453 44 44 LYS HA H 3.941 0.020 1 454 44 44 LYS HB2 H 1.873 0.020 1 455 44 44 LYS HB3 H 1.874 0.020 1 456 44 44 LYS HG2 H 1.388 0.020 2 457 44 44 LYS HG3 H 1.562 0.020 2 458 44 44 LYS HD2 H 1.662 0.020 2 459 44 44 LYS HD3 H 1.659 0.020 2 460 44 44 LYS HE2 H 2.908 0.020 2 461 44 44 LYS HE3 H 2.915 0.020 2 462 44 44 LYS CA C 58.701 0.400 1 463 44 44 LYS CB C 31.991 0.400 1 464 44 44 LYS CG C 24.868 0.400 1 465 44 44 LYS CD C 29.108 0.400 1 466 44 44 LYS CE C 42.084 0.400 1 467 44 44 LYS N N 117.349 0.400 1 468 45 45 ARG C C 176.601 0.400 1 469 45 45 ARG H H 7.150 0.020 1 470 45 45 ARG HA H 4.173 0.020 1 471 45 45 ARG HB2 H 1.797 0.020 2 472 45 45 ARG HB3 H 1.904 0.020 2 473 45 45 ARG HG2 H 1.788 0.020 2 474 45 45 ARG HG3 H 1.665 0.020 2 475 45 45 ARG HD2 H 3.182 0.020 2 476 45 45 ARG HD3 H 3.086 0.020 2 477 45 45 ARG CA C 57.406 0.400 1 478 45 45 ARG CB C 30.337 0.400 1 479 45 45 ARG CG C 27.642 0.400 1 480 45 45 ARG CD C 42.658 0.400 1 481 45 45 ARG N N 114.723 0.400 1 482 46 46 ASN H H 7.885 0.020 1 483 46 46 ASN HA H 5.073 0.020 1 484 46 46 ASN HB2 H 2.923 0.020 2 485 46 46 ASN HB3 H 2.593 0.020 2 486 46 46 ASN HD21 H 7.684 0.020 2 487 46 46 ASN HD22 H 7.028 0.020 2 488 46 46 ASN CA C 51.157 0.400 1 489 46 46 ASN CB C 38.631 0.400 1 490 46 46 ASN N N 115.919 0.400 1 491 46 46 ASN ND2 N 112.364 0.400 1 492 47 47 PRO HA H 4.732 0.020 1 493 47 47 PRO HB2 H 2.409 0.020 2 494 47 47 PRO HB3 H 2.011 0.020 2 495 47 47 PRO HG2 H 2.108 0.020 2 496 47 47 PRO HG3 H 1.839 0.020 2 497 47 47 PRO HD2 H 3.444 0.020 2 498 47 47 PRO HD3 H 3.684 0.020 2 499 47 47 PRO CA C 64.205 0.400 1 500 47 47 PRO CB C 31.954 0.400 1 501 47 47 PRO CG C 26.637 0.400 1 502 47 47 PRO CD C 50.112 0.400 1 503 48 48 LYS C C 174.911 0.400 1 504 48 48 LYS H H 8.154 0.020 1 505 48 48 LYS HA H 4.635 0.020 1 506 48 48 LYS HB2 H 1.786 0.020 2 507 48 48 LYS HB3 H 1.746 0.020 2 508 48 48 LYS HG2 H 1.433 0.020 2 509 48 48 LYS HG3 H 1.287 0.020 2 510 48 48 LYS HD2 H 1.662 0.020 2 511 48 48 LYS HD3 H 1.674 0.020 2 512 48 48 LYS HE2 H 2.977 0.020 1 513 48 48 LYS HE3 H 2.977 0.020 1 514 48 48 LYS CA C 55.000 0.400 1 515 48 48 LYS CB C 31.427 0.400 1 516 48 48 LYS CG C 25.066 0.400 1 517 48 48 LYS CD C 28.568 0.400 1 518 48 48 LYS CE C 41.780 0.400 1 519 48 48 LYS N N 118.494 0.400 1 520 49 49 ASP C C 175.979 0.400 1 521 49 49 ASP H H 7.317 0.020 1 522 49 49 ASP HA H 4.690 0.020 1 523 49 49 ASP HB2 H 3.077 0.020 2 524 49 49 ASP HB3 H 2.431 0.020 2 525 49 49 ASP CA C 52.878 0.400 1 526 49 49 ASP CB C 40.026 0.400 1 527 49 49 ASP N N 119.387 0.400 1 528 50 50 ALA C C 178.973 0.400 1 529 50 50 ALA H H 8.466 0.020 1 530 50 50 ALA HA H 4.041 0.020 1 531 50 50 ALA HB H 1.652 0.020 1 532 50 50 ALA CA C 55.564 0.400 1 533 50 50 ALA CB C 20.090 0.400 1 534 50 50 ALA N N 128.206 0.400 1 535 51 51 LYS C C 179.319 0.400 1 536 51 51 LYS H H 7.985 0.020 1 537 51 51 LYS HA H 3.877 0.020 1 538 51 51 LYS HB2 H 1.800 0.020 2 539 51 51 LYS HB3 H 1.701 0.020 2 540 51 51 LYS HG2 H 1.150 0.020 2 541 51 51 LYS HG3 H 1.239 0.020 2 542 51 51 LYS HD2 H 1.534 0.020 2 543 51 51 LYS HD3 H 1.538 0.020 2 544 51 51 LYS HE2 H 2.663 0.020 2 545 51 51 LYS HE3 H 2.793 0.020 2 546 51 51 LYS CA C 59.314 0.400 1 547 51 51 LYS CB C 31.320 0.400 1 548 51 51 LYS CG C 24.900 0.400 1 549 51 51 LYS CD C 28.503 0.400 1 550 51 51 LYS CE C 41.453 0.400 1 551 51 51 LYS N N 113.628 0.400 1 552 52 52 LEU C C 179.092 0.400 1 553 52 52 LEU H H 7.323 0.020 1 554 52 52 LEU HA H 3.672 0.020 1 555 52 52 LEU HB2 H 1.685 0.020 2 556 52 52 LEU HB3 H 1.641 0.020 2 557 52 52 LEU HG H 0.935 0.020 1 558 52 52 LEU HD1 H 0.827 0.020 2 559 52 52 LEU HD2 H 0.818 0.020 2 560 52 52 LEU CA C 57.278 0.400 1 561 52 52 LEU CB C 42.092 0.400 1 562 52 52 LEU CG C 26.517 0.400 1 563 52 52 LEU CD1 C 22.617 0.400 1 564 52 52 LEU CD2 C 22.423 0.400 1 565 52 52 LEU N N 117.207 0.400 1 566 53 53 TYR C C 178.217 0.400 1 567 53 53 TYR H H 6.955 0.020 1 568 53 53 TYR HA H 3.878 0.020 1 569 53 53 TYR HB2 H 3.270 0.020 2 570 53 53 TYR HB3 H 2.767 0.020 2 571 53 53 TYR HD1 H 7.107 0.020 1 572 53 53 TYR HD2 H 7.106 0.020 1 573 53 53 TYR HE1 H 6.607 0.020 1 574 53 53 TYR HE2 H 6.607 0.020 1 575 53 53 TYR CA C 61.573 0.400 1 576 53 53 TYR CB C 38.147 0.400 1 577 53 53 TYR CD1 C 132.493 0.400 1 578 53 53 TYR CD2 C 132.547 0.400 1 579 53 53 TYR CE1 C 117.909 0.400 1 580 53 53 TYR CE2 C 117.932 0.400 1 581 53 53 TYR N N 116.167 0.400 1 582 54 54 SER C C 176.841 0.400 1 583 54 54 SER H H 7.661 0.020 1 584 54 54 SER HA H 3.976 0.020 1 585 54 54 SER HB2 H 4.172 0.020 2 586 54 54 SER HB3 H 4.081 0.020 2 587 54 54 SER CA C 61.200 0.400 1 588 54 54 SER CB C 62.184 0.400 1 589 54 54 SER N N 112.799 0.400 1 590 55 55 ASN C C 177.612 0.400 1 591 55 55 ASN H H 7.729 0.020 1 592 55 55 ASN HA H 4.099 0.020 1 593 55 55 ASN HB2 H 1.855 0.020 2 594 55 55 ASN HB3 H 1.640 0.020 2 595 55 55 ASN HD21 H 6.929 0.020 2 596 55 55 ASN HD22 H 6.294 0.020 2 597 55 55 ASN CA C 55.241 0.400 1 598 55 55 ASN CB C 36.277 0.400 1 599 55 55 ASN N N 119.126 0.400 1 600 55 55 ASN ND2 N 109.863 0.400 1 601 56 56 ARG C C 178.516 0.400 1 602 56 56 ARG H H 8.329 0.020 1 603 56 56 ARG HA H 4.133 0.020 1 604 56 56 ARG HB2 H 1.673 0.020 2 605 56 56 ARG HB3 H 1.611 0.020 2 606 56 56 ARG HG2 H 1.655 0.020 2 607 56 56 ARG HG3 H 1.589 0.020 2 608 56 56 ARG HD2 H 2.873 0.020 2 609 56 56 ARG HD3 H 2.908 0.020 2 610 56 56 ARG CA C 61.560 0.400 1 611 56 56 ARG CB C 29.069 0.400 1 612 56 56 ARG CG C 28.207 0.400 1 613 56 56 ARG CD C 39.927 0.400 1 614 56 56 ARG N N 122.589 0.400 1 615 57 57 ALA C C 180.705 0.400 1 616 57 57 ALA H H 8.857 0.020 1 617 57 57 ALA HA H 4.260 0.020 1 618 57 57 ALA HB H 1.695 0.020 1 619 57 57 ALA CA C 56.075 0.400 1 620 57 57 ALA CB C 19.889 0.400 1 621 57 57 ALA N N 122.569 0.400 1 622 58 58 ALA C C 180.599 0.400 1 623 58 58 ALA H H 7.574 0.020 1 624 58 58 ALA HA H 4.083 0.020 1 625 58 58 ALA HB H 1.513 0.020 1 626 58 58 ALA CA C 55.050 0.400 1 627 58 58 ALA CB C 17.824 0.400 1 628 58 58 ALA N N 120.015 0.400 1 629 59 59 CYS C C 176.325 0.400 1 630 59 59 CYS H H 7.523 0.020 1 631 59 59 CYS HA H 4.062 0.020 1 632 59 59 CYS HB2 H 2.712 0.020 2 633 59 59 CYS HB3 H 3.337 0.020 2 634 59 59 CYS CA C 63.245 0.400 1 635 59 59 CYS CB C 26.827 0.400 1 636 59 59 CYS N N 117.074 0.400 1 637 60 60 TYR C C 177.747 0.400 1 638 60 60 TYR H H 8.684 0.020 1 639 60 60 TYR HA H 4.287 0.020 1 640 60 60 TYR HB2 H 3.547 0.020 2 641 60 60 TYR HB3 H 2.710 0.020 2 642 60 60 TYR HD1 H 6.924 0.020 1 643 60 60 TYR HD2 H 6.921 0.020 1 644 60 60 TYR HE2 H 6.848 0.020 1 645 60 60 TYR CA C 60.904 0.400 1 646 60 60 TYR CB C 38.277 0.400 1 647 60 60 TYR CD1 C 131.257 0.400 1 648 60 60 TYR CD2 C 131.301 0.400 1 649 60 60 TYR N N 118.554 0.400 1 650 61 61 THR C C 177.887 0.400 1 651 61 61 THR H H 8.572 0.020 1 652 61 61 THR HA H 4.264 0.020 1 653 61 61 THR HB H 3.615 0.020 1 654 61 61 THR HG2 H 1.194 0.020 1 655 61 61 THR CA C 67.645 0.400 1 656 61 61 THR CB C 67.784 0.400 1 657 61 61 THR CG2 C 21.301 0.400 1 658 61 61 THR N N 116.951 0.400 1 659 62 62 LYS C C 177.792 0.400 1 660 62 62 LYS H H 7.410 0.020 1 661 62 62 LYS HA H 3.924 0.020 1 662 62 62 LYS HB2 H 1.046 0.020 2 663 62 62 LYS HB3 H 1.500 0.020 2 664 62 62 LYS HG2 H 0.462 0.020 2 665 62 62 LYS HG3 H 1.263 0.020 2 666 62 62 LYS HD2 H 1.253 0.020 2 667 62 62 LYS HD3 H 1.521 0.020 2 668 62 62 LYS HE2 H 2.831 0.020 2 669 62 62 LYS HE3 H 2.838 0.020 2 670 62 62 LYS CA C 57.206 0.400 1 671 62 62 LYS CB C 30.794 0.400 1 672 62 62 LYS CG C 23.972 0.400 1 673 62 62 LYS CD C 27.825 0.400 1 674 62 62 LYS CE C 41.693 0.400 1 675 62 62 LYS N N 122.578 0.400 1 676 63 63 LEU C C 175.248 0.400 1 677 63 63 LEU H H 7.397 0.020 1 678 63 63 LEU HA H 4.216 0.020 1 679 63 63 LEU HB2 H 1.823 0.020 2 680 63 63 LEU HB3 H 1.752 0.020 2 681 63 63 LEU HG H 1.661 0.020 1 682 63 63 LEU HD1 H 0.728 0.020 2 683 63 63 LEU HD2 H 0.904 0.020 2 684 63 63 LEU CA C 54.045 0.400 1 685 63 63 LEU CB C 41.643 0.400 1 686 63 63 LEU CG C 26.239 0.400 1 687 63 63 LEU CD1 C 24.842 0.400 1 688 63 63 LEU CD2 C 22.569 0.400 1 689 63 63 LEU N N 117.404 0.400 1 690 64 64 LEU C C 176.027 0.400 1 691 64 64 LEU H H 7.457 0.020 1 692 64 64 LEU HA H 2.970 0.020 1 693 64 64 LEU HB2 H 2.036 0.020 2 694 64 64 LEU HB3 H 1.356 0.020 2 695 64 64 LEU HG H 1.352 0.020 1 696 64 64 LEU HD1 H 0.939 0.020 2 697 64 64 LEU HD2 H 0.973 0.020 2 698 64 64 LEU CA C 54.818 0.400 1 699 64 64 LEU CB C 37.251 0.400 1 700 64 64 LEU CG C 27.069 0.400 1 701 64 64 LEU CD1 C 25.203 0.400 1 702 64 64 LEU CD2 C 23.072 0.400 1 703 64 64 LEU N N 113.668 0.400 1 704 65 65 GLU H H 8.085 0.020 1 705 65 65 GLU C C 177.079 0.400 1 706 65 65 GLU HA H 4.403 0.020 1 707 65 65 GLU HB2 H 1.781 0.020 2 708 65 65 GLU HB3 H 1.939 0.020 2 709 65 65 GLU HG2 H 2.139 0.020 2 710 65 65 GLU HG3 H 2.298 0.020 2 711 65 65 GLU CA C 53.230 0.400 1 712 65 65 GLU CB C 27.090 0.400 1 713 65 65 GLU CG C 33.167 0.400 1 714 65 65 GLU N N 120.636 0.400 1 715 66 66 PHE C C 177.639 0.400 1 716 66 66 PHE H H 6.812 0.020 1 717 66 66 PHE HA H 4.026 0.020 1 718 66 66 PHE HB2 H 3.431 0.020 2 719 66 66 PHE HB3 H 2.905 0.020 2 720 66 66 PHE HD1 H 7.175 0.020 1 721 66 66 PHE HD2 H 7.181 0.020 1 722 66 66 PHE HE1 H 7.470 0.020 1 723 66 66 PHE HE2 H 7.482 0.020 1 724 66 66 PHE HZ H 7.352 0.020 1 725 66 66 PHE CA C 60.989 0.400 1 726 66 66 PHE CB C 38.283 0.400 1 727 66 66 PHE CD1 C 130.637 0.400 1 728 66 66 PHE CD2 C 130.629 0.400 1 729 66 66 PHE CE1 C 131.987 0.400 1 730 66 66 PHE CE2 C 132.249 0.400 1 731 66 66 PHE CZ C 130.255 0.400 1 732 66 66 PHE N N 118.292 0.400 1 733 67 67 GLN C C 179.024 0.400 1 734 67 67 GLN H H 8.589 0.020 1 735 67 67 GLN HA H 3.983 0.020 1 736 67 67 GLN HB2 H 2.053 0.020 2 737 67 67 GLN HB3 H 2.049 0.020 2 738 67 67 GLN HG2 H 2.420 0.020 2 739 67 67 GLN HG3 H 2.426 0.020 2 740 67 67 GLN HE21 H 7.586 0.020 2 741 67 67 GLN HE22 H 6.911 0.020 2 742 67 67 GLN CA C 58.678 0.400 1 743 67 67 GLN CB C 26.844 0.400 1 744 67 67 GLN CG C 33.797 0.400 1 745 67 67 GLN N N 117.166 0.400 1 746 67 67 GLN NE2 N 112.221 0.400 1 747 68 68 LEU C C 180.030 0.400 1 748 68 68 LEU H H 7.422 0.020 1 749 68 68 LEU HA H 3.766 0.020 1 750 68 68 LEU HB2 H 0.705 0.020 2 751 68 68 LEU HB3 H -0.060 0.020 2 752 68 68 LEU HG H 1.349 0.020 1 753 68 68 LEU HD1 H 0.529 0.020 1 754 68 68 LEU HD2 H 0.565 0.020 1 755 68 68 LEU CA C 57.475 0.400 1 756 68 68 LEU CB C 38.020 0.400 1 757 68 68 LEU CG C 25.716 0.400 1 758 68 68 LEU CD1 C 24.650 0.400 1 759 68 68 LEU CD2 C 21.314 0.400 1 760 68 68 LEU N N 119.871 0.400 1 761 69 69 ALA C C 180.044 0.400 1 762 69 69 ALA H H 7.871 0.020 1 763 69 69 ALA HA H 4.133 0.020 1 764 69 69 ALA HB H 1.559 0.020 1 765 69 69 ALA CA C 55.828 0.400 1 766 69 69 ALA CB C 18.507 0.400 1 767 69 69 ALA N N 121.380 0.400 1 768 70 70 LEU C C 179.162 0.400 1 769 70 70 LEU H H 8.519 0.020 1 770 70 70 LEU HA H 3.814 0.020 1 771 70 70 LEU HB2 H 1.846 0.020 2 772 70 70 LEU HB3 H 1.567 0.020 2 773 70 70 LEU HG H 1.792 0.020 1 774 70 70 LEU HD1 H 0.798 0.020 1 775 70 70 LEU HD2 H 0.855 0.020 1 776 70 70 LEU CA C 58.579 0.400 1 777 70 70 LEU CB C 40.926 0.400 1 778 70 70 LEU CG C 27.023 0.400 1 779 70 70 LEU CD1 C 25.015 0.400 1 780 70 70 LEU CD2 C 24.041 0.400 1 781 70 70 LEU N N 118.569 0.400 1 782 71 71 LYS C C 179.652 0.400 1 783 71 71 LYS H H 7.619 0.020 1 784 71 71 LYS HA H 3.977 0.020 1 785 71 71 LYS HB2 H 1.835 0.020 2 786 71 71 LYS HB3 H 1.953 0.020 2 787 71 71 LYS HG2 H 1.449 0.020 2 788 71 71 LYS HG3 H 1.551 0.020 2 789 71 71 LYS HD2 H 1.627 0.020 2 790 71 71 LYS HD3 H 1.624 0.020 2 791 71 71 LYS HE2 H 2.919 0.020 2 792 71 71 LYS HE3 H 2.907 0.020 2 793 71 71 LYS CA C 59.195 0.400 1 794 71 71 LYS CG C 24.240 0.400 1 795 71 71 LYS CD C 28.780 0.400 1 796 71 71 LYS CE C 41.780 0.400 1 797 71 71 LYS N N 119.700 0.400 1 798 72 72 ASP C C 179.465 0.400 1 799 72 72 ASP H H 7.460 0.020 1 800 72 72 ASP HA H 4.614 0.020 1 801 72 72 ASP HB2 H 3.267 0.020 2 802 72 72 ASP HB3 H 2.890 0.020 2 803 72 72 ASP CA C 57.293 0.400 1 804 72 72 ASP CB C 39.982 0.400 1 805 72 72 ASP N N 121.506 0.400 1 806 73 73 CYS C C 176.340 0.400 1 807 73 73 CYS H H 8.366 0.020 1 808 73 73 CYS HA H 3.834 0.020 1 809 73 73 CYS HB2 H 2.701 0.020 2 810 73 73 CYS HB3 H 3.072 0.020 2 811 73 73 CYS CA C 64.687 0.400 1 812 73 73 CYS CB C 26.546 0.400 1 813 73 73 CYS N N 118.302 0.400 1 814 74 74 GLU C C 179.543 0.400 1 815 74 74 GLU H H 8.244 0.020 1 816 74 74 GLU HA H 3.901 0.020 1 817 74 74 GLU HB2 H 1.979 0.020 2 818 74 74 GLU HB3 H 1.982 0.020 2 819 74 74 GLU HG2 H 2.281 0.020 2 820 74 74 GLU HG3 H 2.348 0.020 2 821 74 74 GLU CA C 58.213 0.400 1 822 74 74 GLU CB C 28.016 0.400 1 823 74 74 GLU CG C 34.733 0.400 1 824 74 74 GLU N N 117.660 0.400 1 825 75 75 GLU C C 177.050 0.400 1 826 75 75 GLU H H 7.394 0.020 1 827 75 75 GLU HA H 3.893 0.020 1 828 75 75 GLU HB2 H 1.784 0.020 2 829 75 75 GLU HB3 H 1.340 0.020 2 830 75 75 GLU HG2 H 1.575 0.020 2 831 75 75 GLU HG3 H 1.457 0.020 2 832 75 75 GLU CA C 58.149 0.400 1 833 75 75 GLU CB C 26.674 0.400 1 834 75 75 GLU CG C 30.706 0.400 1 835 75 75 GLU N N 119.807 0.400 1 836 76 76 CYS C C 175.057 0.400 1 837 76 76 CYS H H 7.852 0.020 1 838 76 76 CYS HA H 3.841 0.020 1 839 76 76 CYS HB2 H 2.763 0.020 2 840 76 76 CYS HB3 H 3.310 0.020 2 841 76 76 CYS CA C 64.303 0.400 1 842 76 76 CYS CB C 26.371 0.400 1 843 76 76 CYS N N 118.342 0.400 1 844 77 77 ILE C C 177.400 0.400 1 845 77 77 ILE H H 7.897 0.020 1 846 77 77 ILE HA H 3.480 0.020 1 847 77 77 ILE HB H 1.327 0.020 1 848 77 77 ILE HG12 H 0.447 0.020 2 849 77 77 ILE HG13 H 1.180 0.020 2 850 77 77 ILE HG2 H 0.711 0.020 1 851 77 77 ILE HD1 H 0.218 0.020 1 852 77 77 ILE CA C 64.209 0.400 1 853 77 77 ILE CB C 38.549 0.400 1 854 77 77 ILE CG1 C 28.884 0.400 1 855 77 77 ILE CG2 C 16.692 0.400 1 856 77 77 ILE CD1 C 14.032 0.400 1 857 77 77 ILE N N 117.728 0.400 1 858 78 78 GLN C C 178.773 0.400 1 859 78 78 GLN H H 7.655 0.020 1 860 78 78 GLN HA H 3.905 0.020 1 861 78 78 GLN HB2 H 2.003 0.020 2 862 78 78 GLN HB3 H 2.019 0.020 2 863 78 78 GLN HG2 H 2.290 0.020 2 864 78 78 GLN HG3 H 2.383 0.020 2 865 78 78 GLN HE21 H 7.343 0.020 2 866 78 78 GLN HE22 H 6.718 0.020 2 867 78 78 GLN CA C 58.214 0.400 1 868 78 78 GLN CB C 28.350 0.400 1 869 78 78 GLN CG C 33.522 0.400 1 870 78 78 GLN N N 117.037 0.400 1 871 78 78 GLN NE2 N 111.195 0.400 1 872 79 79 LEU C C 178.635 0.400 1 873 79 79 LEU H H 8.021 0.020 1 874 79 79 LEU HA H 4.095 0.020 1 875 79 79 LEU HB2 H 1.929 0.020 2 876 79 79 LEU HB3 H 1.435 0.020 2 877 79 79 LEU HG H 1.776 0.020 1 878 79 79 LEU HD1 H 0.714 0.020 1 879 79 79 LEU HD2 H 0.718 0.020 1 880 79 79 LEU CA C 56.515 0.400 1 881 79 79 LEU CB C 44.044 0.400 1 882 79 79 LEU CG C 26.419 0.400 1 883 79 79 LEU CD1 C 26.209 0.400 1 884 79 79 LEU CD2 C 22.927 0.400 1 885 79 79 LEU N N 118.180 0.400 1 886 80 80 GLU H H 8.403 0.020 1 887 80 80 GLU HA H 4.836 0.020 1 888 80 80 GLU HB2 H 1.753 0.020 2 889 80 80 GLU HB3 H 2.130 0.020 2 890 80 80 GLU HG2 H 2.216 0.020 1 891 80 80 GLU HG3 H 2.216 0.020 1 892 80 80 GLU CA C 53.542 0.400 1 893 80 80 GLU CB C 30.779 0.400 1 894 80 80 GLU CG C 35.551 0.400 1 895 80 80 GLU N N 117.250 0.400 1 896 81 81 PRO C C 179.009 0.400 1 897 81 81 PRO HA H 4.866 0.020 1 898 81 81 PRO HB2 H 2.586 0.020 2 899 81 81 PRO HB3 H 2.091 0.020 2 900 81 81 PRO HG2 H 2.186 0.020 2 901 81 81 PRO HG3 H 2.014 0.020 2 902 81 81 PRO HD2 H 3.479 0.020 2 903 81 81 PRO HD3 H 3.805 0.020 2 904 81 81 PRO CA C 64.745 0.400 1 905 81 81 PRO CB C 31.752 0.400 1 906 81 81 PRO CG C 26.815 0.400 1 907 81 81 PRO CD C 50.040 0.400 1 908 82 82 THR C C 173.603 0.400 1 909 82 82 THR H H 8.129 0.020 1 910 82 82 THR HA H 4.607 0.020 1 911 82 82 THR HB H 4.679 0.020 1 912 82 82 THR HG2 H 1.229 0.020 1 913 82 82 THR CA C 61.139 0.400 1 914 82 82 THR CB C 68.785 0.400 1 915 82 82 THR CG2 C 21.136 0.400 1 916 82 82 THR N N 107.443 0.400 1 917 83 83 PHE C C 177.359 0.400 1 918 83 83 PHE H H 8.022 0.020 1 919 83 83 PHE HA H 5.130 0.020 1 920 83 83 PHE HB2 H 3.513 0.020 2 921 83 83 PHE HB3 H 3.232 0.020 2 922 83 83 PHE HD2 H 7.346 0.020 1 923 83 83 PHE HE2 H 7.396 0.020 1 924 83 83 PHE CA C 55.712 0.400 1 925 83 83 PHE CB C 38.263 0.400 1 926 83 83 PHE CD2 C 131.330 0.400 1 927 83 83 PHE N N 123.490 0.400 1 928 84 84 ILE C C 176.728 0.400 1 929 84 84 ILE H H 8.955 0.020 1 930 84 84 ILE HA H 3.950 0.020 1 931 84 84 ILE HB H 2.002 0.020 1 932 84 84 ILE HG12 H 1.666 0.020 2 933 84 84 ILE HG13 H 1.518 0.020 2 934 84 84 ILE HG2 H 1.001 0.020 1 935 84 84 ILE HD1 H 1.068 0.020 1 936 84 84 ILE CA C 64.230 0.400 1 937 84 84 ILE CB C 37.969 0.400 1 938 84 84 ILE CG1 C 29.082 0.400 1 939 84 84 ILE CG2 C 17.486 0.400 1 940 84 84 ILE CD1 C 14.851 0.400 1 941 84 84 ILE N N 131.837 0.400 1 942 85 85 LYS C C 178.351 0.400 1 943 85 85 LYS H H 6.000 0.020 1 944 85 85 LYS HA H 4.458 0.020 1 945 85 85 LYS HB2 H 1.036 0.020 2 946 85 85 LYS HB3 H 1.292 0.020 2 947 85 85 LYS HG2 H 1.125 0.020 2 948 85 85 LYS HG3 H 1.107 0.020 2 949 85 85 LYS HD2 H 1.524 0.020 1 950 85 85 LYS HD3 H 1.525 0.020 1 951 85 85 LYS HE2 H 2.901 0.020 1 952 85 85 LYS HE3 H 2.901 0.020 1 953 85 85 LYS CA C 56.336 0.400 1 954 85 85 LYS CB C 31.481 0.400 1 955 85 85 LYS CG C 25.318 0.400 1 956 85 85 LYS CD C 28.351 0.400 1 957 85 85 LYS CE C 41.950 0.400 1 958 85 85 LYS N N 115.465 0.400 1 959 86 86 GLY C C 174.466 0.400 1 960 86 86 GLY H H 6.966 0.020 1 961 86 86 GLY HA2 H 3.823 0.020 2 962 86 86 GLY HA3 H 3.508 0.020 2 963 86 86 GLY CA C 48.161 0.400 1 964 86 86 GLY N N 103.958 0.400 1 965 87 87 TYR C C 178.458 0.400 1 966 87 87 TYR H H 6.814 0.020 1 967 87 87 TYR HA H 3.940 0.020 1 968 87 87 TYR HB2 H 3.033 0.020 2 969 87 87 TYR HB3 H 2.967 0.020 2 970 87 87 TYR HD1 H 7.109 0.020 1 971 87 87 TYR HD2 H 7.109 0.020 1 972 87 87 TYR HE1 H 6.832 0.020 1 973 87 87 TYR HE2 H 6.832 0.020 1 974 87 87 TYR CA C 60.197 0.400 1 975 87 87 TYR CB C 38.233 0.400 1 976 87 87 TYR CD1 C 132.267 0.400 1 977 87 87 TYR CD2 C 132.168 0.400 1 978 87 87 TYR CE1 C 118.674 0.400 1 979 87 87 TYR CE2 C 118.674 0.400 1 980 87 87 TYR N N 115.851 0.400 1 981 88 88 THR C C 178.382 0.400 1 982 88 88 THR H H 8.318 0.020 1 983 88 88 THR HA H 4.328 0.020 1 984 88 88 THR HB H 3.805 0.020 1 985 88 88 THR HG2 H 1.206 0.020 1 986 88 88 THR CA C 66.353 0.400 1 987 88 88 THR CB C 66.371 0.400 1 988 88 88 THR CG2 C 21.440 0.400 1 989 88 88 THR N N 109.840 0.400 1 990 89 89 ARG C C 178.728 0.400 1 991 89 89 ARG H H 8.320 0.020 1 992 89 89 ARG HA H 4.077 0.020 1 993 89 89 ARG HB2 H 2.063 0.020 2 994 89 89 ARG HB3 H 2.068 0.020 2 995 89 89 ARG HG2 H 1.580 0.020 1 996 89 89 ARG HG3 H 1.580 0.020 1 997 89 89 ARG HD2 H 3.164 0.020 2 998 89 89 ARG HD3 H 3.018 0.020 2 999 89 89 ARG CA C 59.029 0.400 1 1000 89 89 ARG CB C 29.273 0.400 1 1001 89 89 ARG CG C 27.310 0.400 1 1002 89 89 ARG CD C 43.100 0.400 1 1003 89 89 ARG N N 121.855 0.400 1 1004 90 90 LYS C C 177.279 0.400 1 1005 90 90 LYS H H 7.379 0.020 1 1006 90 90 LYS HA H 3.929 0.020 1 1007 90 90 LYS HB2 H 1.790 0.020 2 1008 90 90 LYS HB3 H 1.780 0.020 2 1009 90 90 LYS HG2 H 1.380 0.020 2 1010 90 90 LYS HG3 H 1.370 0.020 2 1011 90 90 LYS HD2 H 1.610 0.020 1 1012 90 90 LYS HD3 H 1.610 0.020 1 1013 90 90 LYS HE2 H 2.930 0.020 1 1014 90 90 LYS HE3 H 2.930 0.020 1 1015 90 90 LYS CA C 59.862 0.400 1 1016 90 90 LYS CG C 24.910 0.400 1 1017 90 90 LYS CD C 28.780 0.400 1 1018 90 90 LYS CE C 41.780 0.400 1 1019 90 90 LYS N N 124.436 0.400 1 1020 91 91 ALA C C 178.552 0.400 1 1021 91 91 ALA H H 8.460 0.020 1 1022 91 91 ALA HA H 3.492 0.020 1 1023 91 91 ALA HB H 0.281 0.020 1 1024 91 91 ALA CA C 55.053 0.400 1 1025 91 91 ALA CB C 15.445 0.400 1 1026 91 91 ALA N N 121.179 0.400 1 1027 92 92 ALA C C 181.364 0.400 1 1028 92 92 ALA H H 7.871 0.020 1 1029 92 92 ALA HA H 4.124 0.020 1 1030 92 92 ALA HB H 1.544 0.020 1 1031 92 92 ALA CA C 54.867 0.400 1 1032 92 92 ALA CB C 18.020 0.400 1 1033 92 92 ALA N N 118.165 0.400 1 1034 93 93 ALA C C 178.455 0.400 1 1035 93 93 ALA H H 7.649 0.020 1 1036 93 93 ALA HA H 3.990 0.020 1 1037 93 93 ALA HB H 1.447 0.020 1 1038 93 93 ALA CA C 55.337 0.400 1 1039 93 93 ALA CB C 16.621 0.400 1 1040 93 93 ALA N N 123.065 0.400 1 1041 94 94 LEU C C 178.930 0.400 1 1042 94 94 LEU H H 7.847 0.020 1 1043 94 94 LEU HA H 4.116 0.020 1 1044 94 94 LEU HB2 H 1.483 0.020 2 1045 94 94 LEU HB3 H 1.733 0.020 2 1046 94 94 LEU HG H 1.599 0.020 1 1047 94 94 LEU HD1 H 0.589 0.020 1 1048 94 94 LEU HD2 H 0.867 0.020 1 1049 94 94 LEU CA C 57.650 0.400 1 1050 94 94 LEU CB C 41.802 0.400 1 1051 94 94 LEU CG C 28.210 0.400 1 1052 94 94 LEU CD1 C 26.405 0.400 1 1053 94 94 LEU CD2 C 23.562 0.400 1 1054 94 94 LEU N N 117.762 0.400 1 1055 95 95 GLU C C 180.280 0.400 1 1056 95 95 GLU H H 8.971 0.020 1 1057 95 95 GLU HA H 3.355 0.020 1 1058 95 95 GLU HB2 H 2.112 0.020 2 1059 95 95 GLU HB3 H 2.029 0.020 2 1060 95 95 GLU HG2 H 2.458 0.020 2 1061 95 95 GLU HG3 H 2.171 0.020 2 1062 95 95 GLU CA C 59.128 0.400 1 1063 95 95 GLU CB C 29.393 0.400 1 1064 95 95 GLU CG C 35.764 0.400 1 1065 95 95 GLU N N 121.139 0.400 1 1066 96 96 ALA C C 178.873 0.400 1 1067 96 96 ALA H H 7.890 0.020 1 1068 96 96 ALA HA H 3.951 0.020 1 1069 96 96 ALA HB H 1.148 0.020 1 1070 96 96 ALA CA C 54.572 0.400 1 1071 96 96 ALA CB C 17.359 0.400 1 1072 96 96 ALA N N 124.630 0.400 1 1073 97 97 MET C C 174.634 0.400 1 1074 97 97 MET H H 7.155 0.020 1 1075 97 97 MET HA H 3.714 0.020 1 1076 97 97 MET HB2 H 1.928 0.020 2 1077 97 97 MET HB3 H 1.897 0.020 2 1078 97 97 MET HG2 H 2.089 0.020 2 1079 97 97 MET HG3 H 2.052 0.020 2 1080 97 97 MET HE H 1.928 0.020 1 1081 97 97 MET CA C 56.071 0.400 1 1082 97 97 MET CB C 33.654 0.400 1 1083 97 97 MET CG C 31.666 0.400 1 1084 97 97 MET CE C 16.070 0.400 1 1085 97 97 MET N N 115.484 0.400 1 1086 98 98 LYS C C 174.714 0.400 1 1087 98 98 LYS H H 7.597 0.020 1 1088 98 98 LYS HA H 2.730 0.020 1 1089 98 98 LYS HB2 H 1.708 0.020 2 1090 98 98 LYS HB3 H 2.049 0.020 2 1091 98 98 LYS HG2 H 1.209 0.020 2 1092 98 98 LYS HG3 H 1.171 0.020 2 1093 98 98 LYS HD2 H 1.694 0.020 2 1094 98 98 LYS HD3 H 1.722 0.020 2 1095 98 98 LYS HE2 H 3.032 0.020 2 1096 98 98 LYS HE3 H 3.034 0.020 2 1097 98 98 LYS CA C 56.752 0.400 1 1098 98 98 LYS CB C 28.120 0.400 1 1099 98 98 LYS CG C 24.910 0.400 1 1100 98 98 LYS CD C 28.952 0.400 1 1101 98 98 LYS CE C 42.150 0.400 1 1102 98 98 LYS N N 112.882 0.400 1 1103 99 99 ASP C C 176.366 0.400 1 1104 99 99 ASP H H 7.888 0.020 1 1105 99 99 ASP HA H 4.837 0.020 1 1106 99 99 ASP HB2 H 2.181 0.020 2 1107 99 99 ASP HB3 H 2.826 0.020 2 1108 99 99 ASP CA C 50.762 0.400 1 1109 99 99 ASP CB C 37.679 0.400 1 1110 99 99 ASP N N 120.642 0.400 1 1111 100 100 TYR C C 177.963 0.400 1 1112 100 100 TYR H H 6.984 0.020 1 1113 100 100 TYR HA H 3.945 0.020 1 1114 100 100 TYR HB2 H 2.790 0.020 2 1115 100 100 TYR HB3 H 3.062 0.020 2 1116 100 100 TYR HD1 H 7.136 0.020 1 1117 100 100 TYR HD2 H 7.133 0.020 1 1118 100 100 TYR HE1 H 6.889 0.020 1 1119 100 100 TYR HE2 H 6.907 0.020 1 1120 100 100 TYR CA C 61.934 0.400 1 1121 100 100 TYR CB C 37.639 0.400 1 1122 100 100 TYR CD1 C 132.012 0.400 1 1123 100 100 TYR CD2 C 132.356 0.400 1 1124 100 100 TYR CE1 C 118.621 0.400 1 1125 100 100 TYR CE2 C 118.861 0.400 1 1126 100 100 TYR N N 117.948 0.400 1 1127 101 101 THR C C 176.781 0.400 1 1128 101 101 THR H H 8.543 0.020 1 1129 101 101 THR HA H 4.008 0.020 1 1130 101 101 THR HB H 4.147 0.020 1 1131 101 101 THR HG2 H 1.234 0.020 1 1132 101 101 THR CA C 65.857 0.400 1 1133 101 101 THR CB C 67.689 0.400 1 1134 101 101 THR CG2 C 21.458 0.400 1 1135 101 101 THR N N 113.752 0.400 1 1136 102 102 LYS C C 179.232 0.400 1 1137 102 102 LYS H H 7.348 0.020 1 1138 102 102 LYS HA H 4.142 0.020 1 1139 102 102 LYS HB2 H 1.675 0.020 2 1140 102 102 LYS HB3 H 1.603 0.020 2 1141 102 102 LYS HG2 H 1.338 0.020 2 1142 102 102 LYS HG3 H 1.597 0.020 2 1143 102 102 LYS HD2 H 1.654 0.020 1 1144 102 102 LYS HD3 H 1.654 0.020 1 1145 102 102 LYS HE2 H 2.905 0.020 1 1146 102 102 LYS HE3 H 2.905 0.020 1 1147 102 102 LYS CA C 59.086 0.400 1 1148 102 102 LYS CB C 32.179 0.400 1 1149 102 102 LYS CG C 25.632 0.400 1 1150 102 102 LYS CD C 28.973 0.400 1 1151 102 102 LYS CE C 41.716 0.400 1 1152 102 102 LYS N N 120.641 0.400 1 1153 103 103 ALA C C 179.005 0.400 1 1154 103 103 ALA H H 8.344 0.020 1 1155 103 103 ALA HA H 3.665 0.020 1 1156 103 103 ALA HB H 1.486 0.020 1 1157 103 103 ALA CA C 55.656 0.400 1 1158 103 103 ALA CB C 18.889 0.400 1 1159 103 103 ALA N N 120.302 0.400 1 1160 104 104 MET C C 177.400 0.400 1 1161 104 104 MET H H 8.375 0.020 1 1162 104 104 MET HA H 3.939 0.020 1 1163 104 104 MET HB2 H 2.278 0.020 2 1164 104 104 MET HB3 H 2.216 0.020 2 1165 104 104 MET HG2 H 2.408 0.020 2 1166 104 104 MET HG3 H 2.063 0.020 2 1167 104 104 MET HE H 1.841 0.020 1 1168 104 104 MET CA C 61.020 0.400 1 1169 104 104 MET CB C 33.904 0.400 1 1170 104 104 MET CG C 32.771 0.400 1 1171 104 104 MET CE C 16.487 0.400 1 1172 104 104 MET N N 116.430 0.400 1 1173 105 105 ASP C C 178.536 0.400 1 1174 105 105 ASP H H 7.319 0.020 1 1175 105 105 ASP HA H 4.510 0.020 1 1176 105 105 ASP HB2 H 2.892 0.020 2 1177 105 105 ASP HB3 H 2.782 0.020 2 1178 105 105 ASP CA C 57.113 0.400 1 1179 105 105 ASP CB C 40.209 0.400 1 1180 105 105 ASP N N 117.449 0.400 1 1181 106 106 VAL C C 178.449 0.400 1 1182 106 106 VAL H H 7.825 0.020 1 1183 106 106 VAL HA H 3.750 0.020 1 1184 106 106 VAL HB H 1.829 0.020 1 1185 106 106 VAL HG1 H 1.122 0.020 1 1186 106 106 VAL HG2 H 0.968 0.020 1 1187 106 106 VAL CA C 65.980 0.400 1 1188 106 106 VAL CB C 30.761 0.400 1 1189 106 106 VAL CG1 C 24.640 0.400 1 1190 106 106 VAL CG2 C 22.713 0.400 1 1191 106 106 VAL N N 121.168 0.400 1 1192 107 107 TYR C C 178.734 0.400 1 1193 107 107 TYR H H 9.215 0.020 1 1194 107 107 TYR HA H 4.271 0.020 1 1195 107 107 TYR HB2 H 3.414 0.020 2 1196 107 107 TYR HB3 H 3.079 0.020 2 1197 107 107 TYR HD1 H 6.769 0.020 1 1198 107 107 TYR HD2 H 6.767 0.020 1 1199 107 107 TYR HE1 H 7.164 0.020 1 1200 107 107 TYR HE2 H 7.164 0.020 1 1201 107 107 TYR CA C 62.453 0.400 1 1202 107 107 TYR CB C 38.154 0.400 1 1203 107 107 TYR CD1 C 132.260 0.400 1 1204 107 107 TYR CD2 C 132.559 0.400 1 1205 107 107 TYR N N 120.714 0.400 1 1206 108 108 GLN C C 177.393 0.400 1 1207 108 108 GLN H H 8.605 0.020 1 1208 108 108 GLN HA H 3.833 0.020 1 1209 108 108 GLN HB2 H 2.268 0.020 2 1210 108 108 GLN HB3 H 2.301 0.020 2 1211 108 108 GLN HG2 H 2.216 0.020 2 1212 108 108 GLN HG3 H 2.233 0.020 2 1213 108 108 GLN HE21 H 6.976 0.020 2 1214 108 108 GLN HE22 H 6.694 0.020 2 1215 108 108 GLN CA C 58.702 0.400 1 1216 108 108 GLN CB C 28.245 0.400 1 1217 108 108 GLN CG C 34.000 0.400 1 1218 108 108 GLN N N 117.293 0.400 1 1219 108 108 GLN NE2 N 113.777 0.400 1 1220 109 109 LYS C C 178.996 0.400 1 1221 109 109 LYS H H 7.571 0.020 1 1222 109 109 LYS HA H 4.002 0.020 1 1223 109 109 LYS HB2 H 1.922 0.020 2 1224 109 109 LYS HB3 H 1.700 0.020 2 1225 109 109 LYS HG2 H 1.310 0.020 2 1226 109 109 LYS HG3 H 1.156 0.020 2 1227 109 109 LYS HD2 H 1.583 0.020 2 1228 109 109 LYS HD3 H 1.655 0.020 2 1229 109 109 LYS HE2 H 2.765 0.020 2 1230 109 109 LYS HE3 H 2.862 0.020 2 1231 109 109 LYS CA C 58.537 0.400 1 1232 109 109 LYS CB C 31.022 0.400 1 1233 109 109 LYS CG C 24.313 0.400 1 1234 109 109 LYS CD C 28.273 0.400 1 1235 109 109 LYS CE C 41.903 0.400 1 1236 109 109 LYS N N 120.342 0.400 1 1237 110 110 ALA C C 178.439 0.400 1 1238 110 110 ALA H H 7.693 0.020 1 1239 110 110 ALA HA H 3.779 0.020 1 1240 110 110 ALA HB H 1.516 0.020 1 1241 110 110 ALA CA C 55.052 0.400 1 1242 110 110 ALA CB C 17.688 0.400 1 1243 110 110 ALA N N 119.851 0.400 1 1244 111 111 LEU C C 178.989 0.400 1 1245 111 111 LEU H H 7.811 0.020 1 1246 111 111 LEU HA H 4.077 0.020 1 1247 111 111 LEU HB2 H 1.718 0.020 2 1248 111 111 LEU HB3 H 1.276 0.020 2 1249 111 111 LEU HG H 1.542 0.020 1 1250 111 111 LEU HD1 H 0.542 0.020 1 1251 111 111 LEU HD2 H 0.813 0.020 1 1252 111 111 LEU CA C 56.211 0.400 1 1253 111 111 LEU CB C 41.809 0.400 1 1254 111 111 LEU CG C 26.542 0.400 1 1255 111 111 LEU CD1 C 24.449 0.400 1 1256 111 111 LEU CD2 C 23.267 0.400 1 1257 111 111 LEU N N 117.859 0.400 1 1258 112 112 ASP C C 178.266 0.400 1 1259 112 112 ASP H H 8.099 0.020 1 1260 112 112 ASP HA H 4.251 0.020 1 1261 112 112 ASP HB2 H 2.864 0.020 2 1262 112 112 ASP HB3 H 2.626 0.020 2 1263 112 112 ASP CA C 55.762 0.400 1 1264 112 112 ASP CB C 39.195 0.400 1 1265 112 112 ASP N N 118.421 0.400 1 1266 113 113 LEU C C 177.983 0.400 1 1267 113 113 LEU H H 7.319 0.020 1 1268 113 113 LEU HA H 4.157 0.020 1 1269 113 113 LEU HB2 H 1.904 0.020 2 1270 113 113 LEU HB3 H 1.442 0.020 2 1271 113 113 LEU HG H 1.607 0.020 1 1272 113 113 LEU HD1 H 0.634 0.020 1 1273 113 113 LEU HD2 H 0.839 0.020 1 1274 113 113 LEU CA C 56.534 0.400 1 1275 113 113 LEU CB C 42.479 0.400 1 1276 113 113 LEU CG C 26.398 0.400 1 1277 113 113 LEU CD1 C 25.447 0.400 1 1278 113 113 LEU CD2 C 23.047 0.400 1 1279 113 113 LEU N N 120.299 0.400 1 1280 114 114 ASP C C 175.519 0.400 1 1281 114 114 ASP H H 8.190 0.020 1 1282 114 114 ASP HA H 4.638 0.020 1 1283 114 114 ASP HB2 H 2.719 0.020 2 1284 114 114 ASP HB3 H 2.584 0.020 2 1285 114 114 ASP CA C 53.188 0.400 1 1286 114 114 ASP CB C 41.267 0.400 1 1287 114 114 ASP N N 118.196 0.400 1 1288 115 115 SER C C 175.212 0.400 1 1289 115 115 SER H H 8.775 0.020 1 1290 115 115 SER HA H 4.272 0.020 1 1291 115 115 SER HB2 H 3.991 0.020 2 1292 115 115 SER HB3 H 3.989 0.020 2 1293 115 115 SER CA C 60.133 0.400 1 1294 115 115 SER CB C 62.791 0.400 1 1295 115 115 SER N N 121.421 0.400 1 1296 116 116 SER C C 173.938 0.400 1 1297 116 116 SER H H 8.404 0.020 1 1298 116 116 SER HA H 4.481 0.020 1 1299 116 116 SER HB2 H 4.055 0.020 2 1300 116 116 SER HB3 H 3.867 0.020 2 1301 116 116 SER CA C 57.961 0.400 1 1302 116 116 SER CB C 63.960 0.400 1 1303 116 116 SER N N 116.860 0.400 1 1304 117 117 CYS C C 174.391 0.400 1 1305 117 117 CYS H H 7.401 0.020 1 1306 117 117 CYS HA H 4.311 0.020 1 1307 117 117 CYS HB2 H 3.047 0.020 2 1308 117 117 CYS HB3 H 2.747 0.020 2 1309 117 117 CYS CA C 58.972 0.400 1 1310 117 117 CYS CB C 25.866 0.400 1 1311 117 117 CYS N N 121.814 0.400 1 1312 118 118 LYS C C 177.735 0.400 1 1313 118 118 LYS N N 136.846 0.400 1 1314 118 118 LYS H H 8.647 0.020 1 1315 118 118 LYS HA H 3.972 0.020 1 1316 118 118 LYS HB2 H 1.864 0.020 1 1317 118 118 LYS HB3 H 1.863 0.020 1 1318 118 118 LYS HG2 H 1.456 0.020 1 1319 118 118 LYS HG3 H 1.456 0.020 1 1320 118 118 LYS HD2 H 1.717 0.020 2 1321 118 118 LYS HD3 H 1.607 0.020 2 1322 118 118 LYS HE2 H 3.025 0.020 2 1323 118 118 LYS HE3 H 2.920 0.020 2 1324 118 118 LYS CA C 58.867 0.400 1 1325 118 118 LYS CB C 32.356 0.400 1 1326 118 118 LYS CG C 24.140 0.400 1 1327 118 118 LYS CD C 28.744 0.400 1 1328 118 118 LYS CE C 42.406 0.400 1 1329 119 119 GLU C C 179.809 0.400 1 1330 119 119 GLU H H 8.998 0.020 1 1331 119 119 GLU HA H 4.131 0.020 1 1332 119 119 GLU HB2 H 2.104 0.020 2 1333 119 119 GLU HB3 H 1.913 0.020 2 1334 119 119 GLU HG2 H 2.363 0.020 2 1335 119 119 GLU HG3 H 2.265 0.020 2 1336 119 119 GLU CA C 59.000 0.400 1 1337 119 119 GLU CB C 29.472 0.400 1 1338 119 119 GLU CG C 35.488 0.400 1 1339 119 119 GLU N N 117.724 0.400 1 1340 120 120 ALA C C 177.480 0.400 1 1341 120 120 ALA H H 7.494 0.020 1 1342 120 120 ALA HA H 4.368 0.020 1 1343 120 120 ALA HB H 1.591 0.020 1 1344 120 120 ALA CA C 53.306 0.400 1 1345 120 120 ALA CB C 18.113 0.400 1 1346 120 120 ALA N N 120.855 0.400 1 1347 121 121 ALA C C 180.614 0.400 1 1348 121 121 ALA H H 7.914 0.020 1 1349 121 121 ALA HA H 3.995 0.020 1 1350 121 121 ALA HB H 1.454 0.020 1 1351 121 121 ALA CA C 54.792 0.400 1 1352 121 121 ALA CB C 17.804 0.400 1 1353 121 121 ALA N N 123.265 0.400 1 1354 122 122 ASP C C 179.212 0.400 1 1355 122 122 ASP H H 8.964 0.020 1 1356 122 122 ASP HA H 4.271 0.020 1 1357 122 122 ASP HB2 H 2.593 0.020 2 1358 122 122 ASP HB3 H 2.468 0.020 2 1359 122 122 ASP CA C 56.242 0.400 1 1360 122 122 ASP CB C 39.115 0.400 1 1361 122 122 ASP N N 118.732 0.400 1 1362 123 123 GLY C C 174.871 0.400 1 1363 123 123 GLY H H 7.572 0.020 1 1364 123 123 GLY HA2 H 2.273 0.020 2 1365 123 123 GLY HA3 H 3.296 0.020 2 1366 123 123 GLY CA C 46.614 0.400 1 1367 123 123 GLY N N 108.568 0.400 1 1368 124 124 TYR C C 176.702 0.400 1 1369 124 124 TYR H H 8.162 0.020 1 1370 124 124 TYR HA H 3.614 0.020 1 1371 124 124 TYR HB2 H 3.080 0.020 2 1372 124 124 TYR HB3 H 2.870 0.020 2 1373 124 124 TYR HD1 H 7.067 0.020 1 1374 124 124 TYR HD2 H 7.074 0.020 1 1375 124 124 TYR HE1 H 6.803 0.020 1 1376 124 124 TYR HE2 H 6.797 0.020 1 1377 124 124 TYR CA C 63.184 0.400 1 1378 124 124 TYR CB C 37.897 0.400 1 1379 124 124 TYR CD1 C 132.168 0.400 1 1380 124 124 TYR CD2 C 132.502 0.400 1 1381 124 124 TYR CE1 C 118.345 0.400 1 1382 124 124 TYR CE2 C 118.417 0.400 1 1383 124 124 TYR N N 122.944 0.400 1 1384 125 125 GLN C C 178.085 0.400 1 1385 125 125 GLN H H 7.510 0.020 1 1386 125 125 GLN HA H 3.875 0.020 1 1387 125 125 GLN HB2 H 2.155 0.020 2 1388 125 125 GLN HB3 H 2.153 0.020 2 1389 125 125 GLN HG2 H 2.476 0.020 2 1390 125 125 GLN HG3 H 2.478 0.020 2 1391 125 125 GLN HE21 H 6.848 0.020 2 1392 125 125 GLN HE22 H 7.469 0.020 2 1393 125 125 GLN CA C 58.620 0.400 1 1394 125 125 GLN CB C 28.137 0.400 1 1395 125 125 GLN CG C 33.219 0.400 1 1396 125 125 GLN N N 115.988 0.400 1 1397 125 125 GLN NE2 N 111.281 0.400 1 1398 126 126 ARG C C 180.401 0.400 1 1399 126 126 ARG H H 8.139 0.020 1 1400 126 126 ARG HA H 3.933 0.020 1 1401 126 126 ARG HB2 H 1.816 0.020 2 1402 126 126 ARG HB3 H 1.731 0.020 2 1403 126 126 ARG HG2 H 1.329 0.020 2 1404 126 126 ARG HG3 H 1.487 0.020 2 1405 126 126 ARG HD2 H 2.702 0.020 2 1406 126 126 ARG HD3 H 2.694 0.020 2 1407 126 126 ARG CA C 59.817 0.400 1 1408 126 126 ARG CB C 31.092 0.400 1 1409 126 126 ARG CG C 27.699 0.400 1 1410 126 126 ARG CD C 42.086 0.400 1 1411 126 126 ARG N N 118.626 0.400 1 1412 127 127 CYS C C 175.584 0.400 1 1413 127 127 CYS H H 8.097 0.020 1 1414 127 127 CYS HA H 3.889 0.020 1 1415 127 127 CYS HB2 H 3.014 0.020 2 1416 127 127 CYS HB3 H 2.776 0.020 2 1417 127 127 CYS CA C 63.963 0.400 1 1418 127 127 CYS CB C 27.766 0.400 1 1419 127 127 CYS N N 116.985 0.400 1 1420 128 128 MET C C 178.763 0.400 1 1421 128 128 MET H H 8.163 0.020 1 1422 128 128 MET HA H 3.989 0.020 1 1423 128 128 MET HB2 H 2.390 0.020 2 1424 128 128 MET HB3 H 2.337 0.020 2 1425 128 128 MET HG2 H 1.848 0.020 2 1426 128 128 MET HG3 H 1.987 0.020 2 1427 128 128 MET HE H 2.027 0.020 1 1428 128 128 MET CA C 58.420 0.400 1 1429 128 128 MET CB C 31.539 0.400 1 1430 128 128 MET CG C 31.951 0.400 1 1431 128 128 MET CE C 16.383 0.400 1 1432 128 128 MET N N 120.493 0.400 1 1433 129 129 MET C C 178.145 0.400 1 1434 129 129 MET H H 7.723 0.020 1 1435 129 129 MET HA H 4.211 0.020 1 1436 129 129 MET HB2 H 2.024 0.020 2 1437 129 129 MET HB3 H 2.020 0.020 2 1438 129 129 MET HG2 H 2.580 0.020 2 1439 129 129 MET HG3 H 2.701 0.020 2 1440 129 129 MET HE H 2.022 0.020 1 1441 129 129 MET CA C 56.677 0.400 1 1442 129 129 MET CB C 31.951 0.400 1 1443 129 129 MET CG C 31.624 0.400 1 1444 129 129 MET CE C 16.383 0.400 1 1445 129 129 MET N N 115.583 0.400 1 1446 130 130 ALA C C 178.428 0.400 1 1447 130 130 ALA H H 7.458 0.020 1 1448 130 130 ALA HA H 3.908 0.020 1 1449 130 130 ALA HB H 0.565 0.020 1 1450 130 130 ALA CA C 53.080 0.400 1 1451 130 130 ALA CB C 16.504 0.400 1 1452 130 130 ALA N N 121.061 0.400 1 1453 131 131 GLN C C 175.848 0.400 1 1454 131 131 GLN H H 7.214 0.020 1 1455 131 131 GLN HA H 4.006 0.020 1 1456 131 131 GLN HB2 H 1.799 0.020 2 1457 131 131 GLN HB3 H 1.693 0.020 2 1458 131 131 GLN HG2 H 1.934 0.020 2 1459 131 131 GLN HG3 H 1.810 0.020 2 1460 131 131 GLN HE21 H 7.205 0.020 2 1461 131 131 GLN HE22 H 6.753 0.020 2 1462 131 131 GLN CA C 56.803 0.400 1 1463 131 131 GLN CB C 29.105 0.400 1 1464 131 131 GLN CG C 32.598 0.400 1 1465 131 131 GLN N N 114.560 0.400 1 1466 131 131 GLN NE2 N 111.466 0.400 1 1467 132 132 TYR C C 174.983 0.400 1 1468 132 132 TYR H H 7.545 0.020 1 1469 132 132 TYR HA H 4.642 0.020 1 1470 132 132 TYR HB2 H 3.208 0.020 2 1471 132 132 TYR HB3 H 2.816 0.020 2 1472 132 132 TYR HD1 H 7.170 0.020 1 1473 132 132 TYR HD2 H 7.163 0.020 1 1474 132 132 TYR HE1 H 6.760 0.020 1 1475 132 132 TYR HE2 H 6.759 0.020 1 1476 132 132 TYR CA C 57.558 0.400 1 1477 132 132 TYR CB C 38.312 0.400 1 1478 132 132 TYR CD1 C 132.895 0.400 1 1479 132 132 TYR CD2 C 133.293 0.400 1 1480 132 132 TYR CE1 C 117.782 0.400 1 1481 132 132 TYR CE2 C 117.743 0.400 1 1482 132 132 TYR N N 117.856 0.400 1 1483 133 133 ASN H H 7.729 0.020 1 1484 133 133 ASN HA H 4.497 0.020 1 1485 133 133 ASN HB2 H 2.682 0.020 2 1486 133 133 ASN HB3 H 2.792 0.020 2 1487 133 133 ASN HD21 H 7.492 0.020 2 1488 133 133 ASN HD22 H 6.825 0.020 2 1489 133 133 ASN CA C 54.670 0.400 1 1490 133 133 ASN CB C 40.136 0.400 1 1491 133 133 ASN N N 124.076 0.400 1 1492 133 133 ASN ND2 N 112.350 0.400 1 stop_ save_