data_27579 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Full Length Apo Pin1 ; _BMRB_accession_number 27579 _BMRB_flat_file_name bmr27579.str _Entry_type original _Submission_date 2018-08-15 _Accession_date 2018-08-15 _Entry_origination author _NMR_STAR_version 2.1.1 _Experimental_method NMR _Details 'Backbone and side chain assignment of full length apo Pin1, a peptidyl-prolyl isomerase specific for pS/T-P motifs.' loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Born Alexandra . . 2 Vogeli Beat . . 3 Bayer Peter . . 4 Tate 'Shin Ichi' . . 5 Nichols Parker . . 6 Henen Morkos . . 7 Strotz Dean . . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 964 "13C chemical shifts" 545 "15N chemical shifts" 168 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2019-04-11 update BMRB 'update entry citation' 2018-10-24 original author 'original release' stop_ _Original_release_date 2018-08-16 save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full . _Citation_title ; Backbone and side-chain chemical shift assignments of full-length, apo, human Pin1, a phosphoprotein regulator with interdomain allostery ; _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 30353504 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Born Alexandra . . 2 Nichols Parker J. . 3 Henen Morkos A. . 4 Chi Celestine N. . 5 Strotz Dean . . 6 Bayer Peter . . 7 Tate Shin-Ichi . . 8 Peng Jeffrey W. . 9 Vogeli Beat . . stop_ _Journal_abbreviation 'Biomol. NMR Assignments' _Journal_volume 13 _Journal_issue 1 _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 85 _Page_last 89 _Year 2019 _Details . save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name Pin1 _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label Pin1 $Pin1 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_Pin1 _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common Pin1 _Molecular_mass . _Mol_thiol_state 'all free' loop_ _Biological_function 'Peptidyl-prolyl cis-trans isomerase specific for phospho-Ser/Thr-Pro motifs' stop_ _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 163 _Mol_residue_sequence ; MADEEKLPPGWEKRMSRSSG RVYYFNHITNASQWERPSGN SSSGGKNGQGEPARVRCSHL LVKHSQSRRPSSWRQEKITR TKEEALELINGYIQKIKSGE EDFESLASQFSDCSSAKARG DLGAFSRGQMQKPFEDASFA LRTGEMSGPVFTDSGIHIIL RTE ; loop_ _Residue_seq_code _Residue_label 1 MET 2 ALA 3 ASP 4 GLU 5 GLU 6 LYS 7 LEU 8 PRO 9 PRO 10 GLY 11 TRP 12 GLU 13 LYS 14 ARG 15 MET 16 SER 17 ARG 18 SER 19 SER 20 GLY 21 ARG 22 VAL 23 TYR 24 TYR 25 PHE 26 ASN 27 HIS 28 ILE 29 THR 30 ASN 31 ALA 32 SER 33 GLN 34 TRP 35 GLU 36 ARG 37 PRO 38 SER 39 GLY 40 ASN 41 SER 42 SER 43 SER 44 GLY 45 GLY 46 LYS 47 ASN 48 GLY 49 GLN 50 GLY 51 GLU 52 PRO 53 ALA 54 ARG 55 VAL 56 ARG 57 CYS 58 SER 59 HIS 60 LEU 61 LEU 62 VAL 63 LYS 64 HIS 65 SER 66 GLN 67 SER 68 ARG 69 ARG 70 PRO 71 SER 72 SER 73 TRP 74 ARG 75 GLN 76 GLU 77 LYS 78 ILE 79 THR 80 ARG 81 THR 82 LYS 83 GLU 84 GLU 85 ALA 86 LEU 87 GLU 88 LEU 89 ILE 90 ASN 91 GLY 92 TYR 93 ILE 94 GLN 95 LYS 96 ILE 97 LYS 98 SER 99 GLY 100 GLU 101 GLU 102 ASP 103 PHE 104 GLU 105 SER 106 LEU 107 ALA 108 SER 109 GLN 110 PHE 111 SER 112 ASP 113 CYS 114 SER 115 SER 116 ALA 117 LYS 118 ALA 119 ARG 120 GLY 121 ASP 122 LEU 123 GLY 124 ALA 125 PHE 126 SER 127 ARG 128 GLY 129 GLN 130 MET 131 GLN 132 LYS 133 PRO 134 PHE 135 GLU 136 ASP 137 ALA 138 SER 139 PHE 140 ALA 141 LEU 142 ARG 143 THR 144 GLY 145 GLU 146 MET 147 SER 148 GLY 149 PRO 150 VAL 151 PHE 152 THR 153 ASP 154 SER 155 GLY 156 ILE 157 HIS 158 ILE 159 ILE 160 LEU 161 ARG 162 THR 163 GLU stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_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 $Pin1 Human 9606 Eukaryota Metazoa Homo sapiens PIN1 stop_ save_ ######################### # Experimental source # ######################### save_experimental_source _Saveframe_category experimental_source loop_ _Mol_label _Production_method _Host_organism_name_common _Genus _Species _Strain _Variant _Vector_name $Pin1 'recombinant technology' . Escherichia coli BL21 DE3 pET-28a(+) stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $Pin1 2 mM '[U-99% 13C; U-99% 15N]' D2O 3 % 'natural abundance' DTT 5 mM 'natural abundance' 'sodium phosphate' 20 mM 'natural abundance' 'sodium chloride' 50 mM 'natural abundance' 'sodium azide' 0.03 % 'natural abundance' stop_ save_ ############################ # Computer software used # ############################ 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_CcpNMR_Analysis _Saveframe_category software _Name CcpNMR_Analysis _Version . loop_ _Vendor _Address _Electronic_address CCPN . . stop_ loop_ _Task 'chemical shift assignment' stop_ _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Varian _Model INOVA _Field_strength 900 _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_aliphatic_2 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-13C HSQC aliphatic' _Sample_label $sample_1 save_ save_2D_1H-13C_HSQC_aromatic_3 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-13C HSQC aromatic' _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_HNCA_5 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCA' _Sample_label $sample_1 save_ save_3D_HNCACB_6 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCACB' _Sample_label $sample_1 save_ save_3D_HBHA(CO)NH_7 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HBHA(CO)NH' _Sample_label $sample_1 save_ save_3D_HCCH-TOCSY_8 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HCCH-TOCSY' _Sample_label $sample_1 save_ save_3D_HNHA_9 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNHA' _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 6.5 . pH pressure 1 . atm temperature 298 . K stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference_1 _Saveframe_category chemical_shift_reference _Details . loop_ _Mol_common_name _Atom_type _Atom_isotope_number _Atom_group _Chem_shift_units _Chem_shift_value _Reference_method _Reference_type _External_reference_sample_geometry _External_reference_location _External_reference_axis _Indirect_shift_ratio na C 13 'methyl carbon' ppm 0 na indirect . . . 1 DSS H 1 'methyl protons' ppm 0 external indirect . . . 1 na N 15 nitrogen ppm 0 na indirect . . . 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_chem_shift_list_1 _Saveframe_category assigned_chemical_shifts _Details . loop_ _Experiment_label '2D 1H-15N HSQC' '2D 1H-13C HSQC aliphatic' '2D 1H-13C HSQC aromatic' '3D CBCA(CO)NH' '3D HNCA' '3D HNCACB' '3D HBHA(CO)NH' '3D HCCH-TOCSY' '3D HNHA' stop_ loop_ _Sample_label $sample_1 stop_ _Sample_conditions_label $sample_conditions_1 _Chem_shift_reference_set_label $chemical_shift_reference_1 _Mol_system_component_name Pin1 _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 HA H 4.401 0.100 1 2 1 1 MET HB2 H 2.034 0.100 2 3 1 1 MET HB3 H 1.916 0.100 2 4 1 1 MET HG2 H 2.414 0.100 2 5 1 1 MET HG3 H 2.496 0.100 2 6 1 1 MET HE H 2.055 0.100 1 7 1 1 MET CA C 55.568 1.500 1 8 1 1 MET CB C 32.866 1.500 1 9 1 1 MET CG C 32.017 1.500 1 10 1 1 MET CE C 17.009 1.500 1 11 2 2 ALA H H 8.358 0.100 1 12 2 2 ALA HA H 4.282 0.100 1 13 2 2 ALA HB H 1.371 0.100 1 14 2 2 ALA CA C 52.645 1.500 1 15 2 2 ALA CB C 19.255 1.500 1 16 2 2 ALA N N 125.022 1.500 1 17 3 3 ASP H H 8.281 0.100 1 18 3 3 ASP HA H 4.541 0.100 1 19 3 3 ASP HB2 H 2.611 0.100 2 20 3 3 ASP HB3 H 2.691 0.100 2 21 3 3 ASP CA C 54.634 1.500 1 22 3 3 ASP CB C 41.155 1.500 1 23 3 3 ASP N N 119.630 1.500 1 24 4 4 GLU H H 8.319 0.100 1 25 4 4 GLU HA H 4.238 0.100 1 26 4 4 GLU HB2 H 2.038 0.100 2 27 4 4 GLU HB3 H 1.939 0.100 2 28 4 4 GLU CA C 56.722 1.500 1 29 4 4 GLU CB C 30.489 1.500 1 30 4 4 GLU CG C 36.419 1.500 1 31 4 4 GLU N N 120.872 1.500 1 32 5 5 GLU H H 8.336 0.100 1 33 5 5 GLU HA H 4.230 0.100 1 34 5 5 GLU HB2 H 2.015 0.100 2 35 5 5 GLU HB3 H 1.943 0.100 2 36 5 5 GLU CA C 56.405 1.500 1 37 5 5 GLU CB C 30.397 1.500 1 38 5 5 GLU CG C 36.452 1.500 1 39 5 5 GLU N N 121.898 1.500 1 40 6 6 LYS H H 8.271 0.100 1 41 6 6 LYS HA H 4.290 0.100 1 42 6 6 LYS HB2 H 1.819 0.100 2 43 6 6 LYS HB3 H 1.743 0.100 2 44 6 6 LYS HG2 H 1.370 0.100 2 45 6 6 LYS HG3 H 1.445 0.100 2 46 6 6 LYS HD2 H 1.650 0.100 2 47 6 6 LYS HD3 H 1.685 0.100 2 48 6 6 LYS HE2 H 2.966 0.100 2 49 6 6 LYS HE3 H 3.008 0.100 2 50 6 6 LYS CA C 56.481 1.500 1 51 6 6 LYS CB C 32.844 1.500 1 52 6 6 LYS CG C 24.758 1.500 1 53 6 6 LYS CD C 29.052 1.500 1 54 6 6 LYS CE C 42.233 1.500 1 55 6 6 LYS N N 123.554 1.500 1 56 7 7 LEU H H 8.549 0.100 1 57 7 7 LEU HA H 4.599 0.100 1 58 7 7 LEU HB2 H 1.804 0.100 1 59 7 7 LEU HB3 H 1.376 0.100 1 60 7 7 LEU HG H 1.837 0.100 1 61 7 7 LEU HD1 H 1.061 0.100 1 62 7 7 LEU HD2 H 0.777 0.100 1 63 7 7 LEU CA C 52.767 1.500 1 64 7 7 LEU CB C 42.165 1.500 1 65 7 7 LEU CG C 27.229 1.500 1 66 7 7 LEU CD1 C 26.429 1.500 1 67 7 7 LEU CD2 C 23.727 1.500 1 68 7 7 LEU N N 125.009 1.500 1 69 8 8 PRO HA H 4.831 0.100 1 70 8 8 PRO HB2 H 1.998 0.100 1 71 8 8 PRO HB3 H 2.577 0.100 1 72 8 8 PRO HG2 H 1.635 0.100 1 73 8 8 PRO HG3 H 1.770 0.100 1 74 8 8 PRO HD2 H 3.662 0.100 1 75 8 8 PRO HD3 H 3.006 0.100 1 76 8 8 PRO CA C 61.413 1.500 1 77 8 8 PRO CB C 29.691 1.500 1 78 8 8 PRO CG C 27.264 1.500 1 79 8 8 PRO CD C 50.397 1.500 1 80 9 9 PRO HA H 4.348 0.100 1 81 9 9 PRO HB2 H 2.327 0.100 2 82 9 9 PRO HB3 H 1.856 0.100 2 83 9 9 PRO HG2 H 2.039 0.100 2 84 9 9 PRO HG3 H 2.143 0.100 2 85 9 9 PRO HD2 H 3.897 0.100 2 86 9 9 PRO HD3 H 3.620 0.100 2 87 9 9 PRO CA C 64.423 1.500 1 88 9 9 PRO CB C 32.049 1.500 1 89 9 9 PRO CG C 27.707 1.500 1 90 9 9 PRO CD C 50.696 1.500 1 91 10 10 GLY H H 8.753 0.100 1 92 10 10 GLY HA2 H 3.211 0.100 1 93 10 10 GLY HA3 H 3.989 0.100 1 94 10 10 GLY CA C 45.108 1.500 1 95 10 10 GLY N N 111.912 1.500 1 96 11 11 TRP H H 7.402 0.100 1 97 11 11 TRP HA H 5.186 0.100 1 98 11 11 TRP HB2 H 3.244 0.100 1 99 11 11 TRP HB3 H 2.948 0.100 1 100 11 11 TRP HD1 H 6.955 0.100 1 101 11 11 TRP HE1 H 10.470 0.100 1 102 11 11 TRP HE3 H 7.372 0.100 1 103 11 11 TRP HZ2 H 7.429 0.100 1 104 11 11 TRP HZ3 H 6.890 0.100 1 105 11 11 TRP HH2 H 6.959 0.100 1 106 11 11 TRP CA C 57.394 1.500 1 107 11 11 TRP CB C 32.411 1.500 1 108 11 11 TRP CD1 C 127.685 1.500 1 109 11 11 TRP CE3 C 120.264 1.500 1 110 11 11 TRP CZ2 C 115.173 1.500 1 111 11 11 TRP CZ3 C 122.834 1.500 1 112 11 11 TRP CH2 C 125.274 1.500 1 113 11 11 TRP N N 117.474 1.500 1 114 11 11 TRP NE1 N 129.173 1.500 1 115 12 12 GLU H H 9.737 0.100 1 116 12 12 GLU HA H 4.841 0.100 1 117 12 12 GLU HB2 H 2.172 0.100 2 118 12 12 GLU HB3 H 2.223 0.100 2 119 12 12 GLU HG2 H 2.523 0.100 1 120 12 12 GLU HG3 H 2.285 0.100 1 121 12 12 GLU CA C 54.736 1.500 1 122 12 12 GLU CB C 34.598 1.500 1 123 12 12 GLU CG C 36.433 1.500 1 124 12 12 GLU N N 120.512 1.500 1 125 13 13 LYS H H 8.889 0.100 1 126 13 13 LYS HA H 4.396 0.100 1 127 13 13 LYS HB2 H 1.589 0.100 1 128 13 13 LYS HB3 H 1.734 0.100 1 129 13 13 LYS HG2 H 1.043 0.100 2 130 13 13 LYS HG3 H 1.027 0.100 2 131 13 13 LYS HD2 H 1.662 0.100 2 132 13 13 LYS HD3 H 1.700 0.100 2 133 13 13 LYS HE2 H 2.918 0.100 2 134 13 13 LYS HE3 H 2.918 0.100 2 135 13 13 LYS CA C 55.945 1.500 1 136 13 13 LYS CB C 34.001 1.500 1 137 13 13 LYS CG C 25.162 1.500 1 138 13 13 LYS CD C 29.894 1.500 1 139 13 13 LYS CE C 42.042 1.500 1 140 13 13 LYS N N 125.094 1.500 1 141 14 14 ARG H H 8.782 0.100 1 142 14 14 ARG HA H 4.421 0.100 1 143 14 14 ARG HB2 H 0.109 0.100 1 144 14 14 ARG HB3 H 1.255 0.100 1 145 14 14 ARG HG2 H 1.353 0.100 1 146 14 14 ARG HG3 H 1.205 0.100 1 147 14 14 ARG HD2 H 2.870 0.100 1 148 14 14 ARG HD3 H 2.620 0.100 1 149 14 14 ARG CA C 54.395 1.500 1 150 14 14 ARG CB C 34.492 1.500 1 151 14 14 ARG CG C 27.854 1.500 1 152 14 14 ARG CD C 43.572 1.500 1 153 14 14 ARG N N 126.753 1.500 1 154 15 15 MET H H 8.175 0.100 1 155 15 15 MET HA H 4.910 0.100 1 156 15 15 MET HB2 H 1.824 0.100 2 157 15 15 MET HB3 H 1.842 0.100 2 158 15 15 MET HG2 H 2.396 0.100 2 159 15 15 MET HG3 H 2.238 0.100 2 160 15 15 MET HE H 1.980 0.100 1 161 15 15 MET CA C 54.037 1.500 1 162 15 15 MET CB C 34.535 1.500 1 163 15 15 MET CG C 31.843 1.500 1 164 15 15 MET CE C 16.785 1.500 1 165 15 15 MET N N 117.490 1.500 1 166 16 16 SER H H 8.992 0.100 1 167 16 16 SER HA H 4.797 0.100 1 168 16 16 SER HB2 H 4.156 0.100 2 169 16 16 SER HB3 H 4.241 0.100 2 170 16 16 SER CA C 57.647 1.500 1 171 16 16 SER CB C 63.355 1.500 1 172 16 16 SER N N 121.114 1.500 1 173 17 17 ARG HA H 4.132 0.100 1 174 17 17 ARG HB2 H 1.921 0.100 2 175 17 17 ARG HB3 H 1.924 0.100 2 176 17 17 ARG HG2 H 1.761 0.100 1 177 17 17 ARG HG3 H 1.698 0.100 1 178 17 17 ARG HD2 H 3.210 0.100 2 179 17 17 ARG HD3 H 3.213 0.100 2 180 17 17 ARG CA C 58.511 1.500 1 181 17 17 ARG CB C 30.185 1.500 1 182 17 17 ARG CG C 27.333 1.500 1 183 17 17 ARG CD C 43.215 1.500 1 184 18 18 SER H H 8.547 0.100 1 185 18 18 SER HA H 4.335 0.100 1 186 18 18 SER HB2 H 3.878 0.100 1 187 18 18 SER HB3 H 3.878 0.100 1 188 18 18 SER CA C 60.157 1.500 1 189 18 18 SER CB C 62.934 1.500 1 190 18 18 SER N N 113.303 1.500 1 191 19 19 SER HA H 4.626 0.100 1 192 19 19 SER HB2 H 3.958 0.100 2 193 19 19 SER HB3 H 3.841 0.100 2 194 19 19 SER CA C 58.450 1.500 1 195 19 19 SER CB C 65.707 1.500 1 196 20 20 GLY H H 8.083 0.100 1 197 20 20 GLY HA2 H 4.089 0.100 2 198 20 20 GLY HA3 H 3.897 0.100 2 199 20 20 GLY CA C 46.499 1.500 1 200 20 20 GLY N N 112.173 1.500 1 201 21 21 ARG H H 7.627 0.100 1 202 21 21 ARG HA H 4.463 0.100 1 203 21 21 ARG HB2 H 1.714 0.100 1 204 21 21 ARG HB3 H 1.957 0.100 1 205 21 21 ARG HG2 H 1.696 0.100 2 206 21 21 ARG HG3 H 1.638 0.100 2 207 21 21 ARG HD2 H 2.845 0.100 1 208 21 21 ARG HD3 H 2.581 0.100 1 209 21 21 ARG CA C 56.070 1.500 1 210 21 21 ARG CB C 32.842 1.500 1 211 21 21 ARG CG C 26.903 1.500 1 212 21 21 ARG CD C 43.497 1.500 1 213 21 21 ARG N N 119.103 1.500 1 214 22 22 VAL H H 8.479 0.100 1 215 22 22 VAL HA H 4.686 0.100 1 216 22 22 VAL HB H 1.959 0.100 1 217 22 22 VAL HG1 H 0.776 0.100 1 218 22 22 VAL HG2 H 1.009 0.100 1 219 22 22 VAL CA C 62.135 1.500 1 220 22 22 VAL CB C 33.081 1.500 1 221 22 22 VAL CG1 C 21.633 1.500 1 222 22 22 VAL CG2 C 21.901 1.500 1 223 22 22 VAL N N 124.542 1.500 1 224 23 23 TYR H H 8.695 0.100 1 225 23 23 TYR HA H 4.830 0.100 1 226 23 23 TYR HB2 H 2.514 0.100 1 227 23 23 TYR HB3 H 2.870 0.100 1 228 23 23 TYR HD1 H 6.853 0.100 3 229 23 23 TYR HD2 H 6.853 0.100 3 230 23 23 TYR HE1 H 6.408 0.100 3 231 23 23 TYR HE2 H 6.408 0.100 3 232 23 23 TYR CA C 55.530 1.500 1 233 23 23 TYR CB C 39.862 1.500 1 234 23 23 TYR CD1 C 134.032 1.500 3 235 23 23 TYR CD2 C 134.032 1.500 3 236 23 23 TYR CE1 C 117.396 1.500 3 237 23 23 TYR CE2 C 117.396 1.500 3 238 23 23 TYR N N 121.973 1.500 1 239 24 24 TYR H H 8.974 0.100 1 240 24 24 TYR HA H 5.257 0.100 1 241 24 24 TYR HB2 H 2.643 0.100 1 242 24 24 TYR HB3 H 2.890 0.100 1 243 24 24 TYR HD1 H 6.798 0.100 3 244 24 24 TYR HD2 H 6.798 0.100 3 245 24 24 TYR HE1 H 6.729 0.100 3 246 24 24 TYR HE2 H 6.729 0.100 3 247 24 24 TYR CA C 57.272 1.500 1 248 24 24 TYR CB C 41.241 1.500 1 249 24 24 TYR CD1 C 133.802 1.500 3 250 24 24 TYR CD2 C 133.802 1.500 3 251 24 24 TYR CE1 C 117.171 1.500 3 252 24 24 TYR CE2 C 117.171 1.500 3 253 24 24 TYR N N 117.097 1.500 1 254 25 25 PHE H H 9.370 0.100 1 255 25 25 PHE HA H 5.608 0.100 1 256 25 25 PHE HB2 H 2.882 0.100 1 257 25 25 PHE HB3 H 2.551 0.100 1 258 25 25 PHE HD1 H 6.916 0.100 3 259 25 25 PHE HD2 H 6.916 0.100 3 260 25 25 PHE HE1 H 7.007 0.100 3 261 25 25 PHE HE2 H 7.007 0.100 3 262 25 25 PHE HZ H 7.337 0.100 1 263 25 25 PHE CA C 55.932 1.500 1 264 25 25 PHE CB C 44.524 1.500 1 265 25 25 PHE CD1 C 131.533 1.500 3 266 25 25 PHE CD2 C 131.533 1.500 3 267 25 25 PHE CE1 C 130.898 1.500 3 268 25 25 PHE CE2 C 130.898 1.500 3 269 25 25 PHE CZ C 130.419 1.500 1 270 25 25 PHE N N 124.550 1.500 1 271 26 26 ASN H H 8.108 0.100 1 272 26 26 ASN HA H 4.386 0.100 1 273 26 26 ASN HB2 H -0.695 0.100 1 274 26 26 ASN HB3 H 1.981 0.100 1 275 26 26 ASN HD21 H 6.462 0.100 1 276 26 26 ASN HD22 H 4.058 0.100 1 277 26 26 ASN CA C 50.661 1.500 1 278 26 26 ASN CB C 38.336 1.500 1 279 26 26 ASN N N 129.025 1.500 1 280 26 26 ASN ND2 N 109.686 1.500 1 281 27 27 HIS H H 8.090 0.100 1 282 27 27 HIS HA H 4.168 0.100 1 283 27 27 HIS HB2 H 3.070 0.100 1 284 27 27 HIS HB3 H 3.366 0.100 1 285 27 27 HIS HD2 H 7.137 0.100 1 286 27 27 HIS CA C 57.348 1.500 1 287 27 27 HIS CB C 29.253 1.500 1 288 27 27 HIS CD2 C 120.664 1.500 1 289 27 27 HIS N N 120.336 1.500 1 290 28 28 ILE H H 8.337 0.100 1 291 28 28 ILE HA H 3.857 0.100 1 292 28 28 ILE HB H 1.863 0.100 1 293 28 28 ILE HG12 H 0.922 0.100 1 294 28 28 ILE HG13 H 1.222 0.100 1 295 28 28 ILE HG2 H 0.718 0.100 1 296 28 28 ILE HD1 H 0.698 0.100 1 297 28 28 ILE CA C 63.416 1.500 1 298 28 28 ILE CB C 37.448 1.500 1 299 28 28 ILE CG1 C 27.832 1.500 1 300 28 28 ILE CG2 C 17.202 1.500 1 301 28 28 ILE CD1 C 12.341 1.500 1 302 28 28 ILE N N 121.737 1.500 1 303 29 29 THR H H 7.362 0.100 1 304 29 29 THR HA H 3.986 0.100 1 305 29 29 THR HB H 4.117 0.100 1 306 29 29 THR HG2 H 0.911 0.100 1 307 29 29 THR CA C 61.298 1.500 1 308 29 29 THR CB C 70.072 1.500 1 309 29 29 THR CG2 C 21.396 1.500 1 310 29 29 THR N N 107.720 1.500 1 311 30 30 ASN H H 7.934 0.100 1 312 30 30 ASN HA H 4.167 0.100 1 313 30 30 ASN HB2 H 2.891 0.100 2 314 30 30 ASN HB3 H 3.108 0.100 2 315 30 30 ASN HD21 H 7.534 0.100 1 316 30 30 ASN HD22 H 6.792 0.100 1 317 30 30 ASN CA C 54.822 1.500 1 318 30 30 ASN CB C 37.306 1.500 1 319 30 30 ASN N N 117.307 1.500 1 320 30 30 ASN ND2 N 112.340 1.500 1 321 31 31 ALA H H 7.132 0.100 1 322 31 31 ALA HA H 4.385 0.100 1 323 31 31 ALA HB H 1.236 0.100 1 324 31 31 ALA CA C 52.177 1.500 1 325 31 31 ALA CB C 20.869 1.500 1 326 31 31 ALA N N 121.669 1.500 1 327 32 32 SER H H 8.260 0.100 1 328 32 32 SER HA H 5.986 0.100 1 329 32 32 SER HB2 H 3.838 0.100 2 330 32 32 SER HB3 H 3.752 0.100 2 331 32 32 SER CA C 56.918 1.500 1 332 32 32 SER CB C 66.766 1.500 1 333 32 32 SER N N 112.122 1.500 1 334 33 33 GLN H H 9.329 0.100 1 335 33 33 GLN HA H 4.846 0.100 1 336 33 33 GLN HB2 H 2.509 0.100 1 337 33 33 GLN HB3 H 2.192 0.100 1 338 33 33 GLN HE21 H 6.596 0.100 1 339 33 33 GLN HE22 H 7.377 0.100 1 340 33 33 GLN CA C 54.823 1.500 1 341 33 33 GLN CB C 32.145 1.500 1 342 33 33 GLN CG C 30.151 1.500 1 343 33 33 GLN N N 116.760 1.500 1 344 33 33 GLN NE2 N 112.566 1.500 1 345 34 34 TRP H H 8.404 0.100 1 346 34 34 TRP HA H 4.956 0.100 1 347 34 34 TRP HB2 H 3.589 0.100 2 348 34 34 TRP HB3 H 3.173 0.100 2 349 34 34 TRP HD1 H 7.441 0.100 1 350 34 34 TRP HE1 H 10.082 0.100 1 351 34 34 TRP HE3 H 7.371 0.100 1 352 34 34 TRP HZ2 H 7.355 0.100 1 353 34 34 TRP HZ3 H 6.933 0.100 1 354 34 34 TRP HH2 H 7.065 0.100 1 355 34 34 TRP CA C 58.724 1.500 1 356 34 34 TRP CB C 30.642 1.500 1 357 34 34 TRP CD1 C 128.181 1.500 1 358 34 34 TRP CE3 C 120.386 1.500 1 359 34 34 TRP CZ2 C 114.555 1.500 1 360 34 34 TRP CZ3 C 122.325 1.500 1 361 34 34 TRP CH2 C 124.251 1.500 1 362 34 34 TRP N N 120.369 1.500 1 363 34 34 TRP NE1 N 128.659 1.500 1 364 35 35 GLU H H 8.032 0.100 1 365 35 35 GLU HA H 4.395 0.100 1 366 35 35 GLU HB2 H 1.852 0.100 1 367 35 35 GLU HB3 H 1.852 0.100 1 368 35 35 GLU HG2 H 2.290 0.100 2 369 35 35 GLU HG3 H 2.219 0.100 2 370 35 35 GLU CA C 55.731 1.500 1 371 35 35 GLU CB C 30.318 1.500 1 372 35 35 GLU CG C 36.360 1.500 1 373 35 35 GLU N N 117.206 1.500 1 374 36 36 ARG H H 8.463 0.100 1 375 36 36 ARG HA H 2.603 0.100 1 376 36 36 ARG HB2 H 1.359 0.100 2 377 36 36 ARG HB3 H 1.359 0.100 2 378 36 36 ARG HG2 H 1.186 0.100 1 379 36 36 ARG HG3 H 0.956 0.100 1 380 36 36 ARG HD2 H 2.989 0.100 1 381 36 36 ARG HD3 H 3.025 0.100 1 382 36 36 ARG CA C 54.159 1.500 1 383 36 36 ARG CB C 30.027 1.500 1 384 36 36 ARG CG C 26.901 1.500 1 385 36 36 ARG CD C 43.511 1.500 1 386 36 36 ARG N N 125.115 1.500 1 387 37 37 PRO HA H 3.849 0.100 1 388 37 37 PRO HB2 H 0.776 0.100 1 389 37 37 PRO HB3 H 0.651 0.100 1 390 37 37 PRO HG2 H 0.544 0.100 1 391 37 37 PRO HG3 H -0.041 0.100 1 392 37 37 PRO HD2 H 2.278 0.100 1 393 37 37 PRO HD3 H 2.438 0.100 1 394 37 37 PRO CA C 62.009 1.500 1 395 37 37 PRO CB C 31.212 1.500 1 396 37 37 PRO CG C 25.782 1.500 1 397 37 37 PRO CD C 50.042 1.500 1 398 38 38 SER H H 8.076 0.100 1 399 38 38 SER HA H 4.302 0.100 1 400 38 38 SER HB2 H 3.767 0.100 1 401 38 38 SER HB3 H 3.689 0.100 1 402 38 38 SER CA C 57.592 1.500 1 403 38 38 SER CB C 64.619 1.500 1 404 38 38 SER N N 115.353 1.500 1 405 39 39 GLY H H 8.492 0.100 1 406 39 39 GLY HA2 H 3.962 0.100 2 407 39 39 GLY HA3 H 3.962 0.100 2 408 39 39 GLY CA C 45.283 1.500 1 409 39 39 GLY N N 110.418 1.500 1 410 40 40 ASN H H 8.410 0.100 1 411 40 40 ASN HA H 4.768 0.100 1 412 40 40 ASN HB2 H 2.826 0.100 2 413 40 40 ASN HB3 H 2.741 0.100 2 414 40 40 ASN HD21 H 7.597 0.100 2 415 40 40 ASN HD22 H 6.934 0.100 2 416 40 40 ASN CA C 53.191 1.500 1 417 40 40 ASN CB C 39.177 1.500 1 418 40 40 ASN N N 118.665 1.500 1 419 40 40 ASN ND2 N 112.981 1.500 1 420 41 41 SER H H 8.411 0.100 1 421 41 41 SER HA H 4.515 0.100 1 422 41 41 SER HB2 H 3.918 0.100 2 423 41 41 SER HB3 H 3.918 0.100 2 424 41 41 SER CA C 58.569 1.500 1 425 41 41 SER CB C 63.818 1.500 1 426 41 41 SER N N 116.507 1.500 1 427 42 42 SER H H 8.357 0.100 1 428 42 42 SER HA H 4.463 0.100 1 429 42 42 SER HB2 H 3.902 0.100 2 430 42 42 SER HB3 H 3.902 0.100 2 431 42 42 SER CA C 58.703 1.500 1 432 42 42 SER CB C 63.866 1.500 1 433 42 42 SER N N 117.676 1.500 1 434 43 43 SER H H 8.447 0.100 1 435 43 43 SER HA H 4.469 0.100 1 436 43 43 SER HB2 H 3.908 0.100 2 437 43 43 SER HB3 H 3.858 0.100 2 438 43 43 SER CA C 58.724 1.500 1 439 43 43 SER CB C 63.877 1.500 1 440 43 43 SER N N 117.965 1.500 1 441 44 44 GLY H H 8.399 0.100 1 442 44 44 GLY HA2 H 3.973 0.100 2 443 44 44 GLY HA3 H 3.973 0.100 2 444 44 44 GLY CA C 45.448 1.500 1 445 44 44 GLY N N 110.611 1.500 1 446 45 45 GLY H H 8.248 0.100 1 447 45 45 GLY HA2 H 3.951 0.100 2 448 45 45 GLY HA3 H 3.943 0.100 2 449 45 45 GLY CA C 45.195 1.500 1 450 45 45 GLY N N 108.614 1.500 1 451 46 46 LYS H H 8.152 0.100 1 452 46 46 LYS HA H 4.344 0.100 1 453 46 46 LYS HB2 H 1.837 0.100 2 454 46 46 LYS HB3 H 1.697 0.100 2 455 46 46 LYS HG2 H 1.418 0.100 2 456 46 46 LYS HG3 H 1.368 0.100 2 457 46 46 LYS HD2 H 1.660 0.100 2 458 46 46 LYS HD3 H 1.620 0.100 2 459 46 46 LYS HE2 H 2.967 0.100 2 460 46 46 LYS HE3 H 2.987 0.100 2 461 46 46 LYS CA C 56.017 1.500 1 462 46 46 LYS CB C 33.239 1.500 1 463 46 46 LYS CG C 24.669 1.500 1 464 46 46 LYS CD C 28.788 1.500 1 465 46 46 LYS CE C 42.315 1.500 1 466 46 46 LYS N N 120.768 1.500 1 467 47 47 ASN H H 8.086 0.100 1 468 47 47 ASN HA H 4.474 0.100 1 469 47 47 ASN HB2 H 2.811 0.100 2 470 47 47 ASN HB3 H 2.699 0.100 2 471 47 47 ASN HD21 H 7.593 0.100 2 472 47 47 ASN HD22 H 6.930 0.100 2 473 47 47 ASN CA C 54.817 1.500 1 474 47 47 ASN CB C 40.880 1.500 1 475 47 47 ASN N N 125.366 1.500 1 476 47 47 ASN ND2 N 112.935 1.500 1 477 48 48 GLY H H 8.293 0.100 1 478 48 48 GLY HA2 H 3.920 0.100 2 479 48 48 GLY HA3 H 3.920 0.100 2 480 48 48 GLY CA C 45.572 1.500 1 481 48 48 GLY N N 114.053 1.500 1 482 49 49 GLN H H 8.424 0.100 1 483 49 49 GLN HA H 4.356 0.100 1 484 49 49 GLN HB2 H 2.146 0.100 2 485 49 49 GLN HB3 H 1.983 0.100 2 486 49 49 GLN HG2 H 2.346 0.100 2 487 49 49 GLN HG3 H 2.346 0.100 2 488 49 49 GLN HE21 H 6.847 0.100 2 489 49 49 GLN HE22 H 7.520 0.100 2 490 49 49 GLN CA C 55.872 1.500 1 491 49 49 GLN CB C 29.464 1.500 1 492 49 49 GLN CG C 33.935 1.500 1 493 49 49 GLN N N 119.606 1.500 1 494 49 49 GLN NE2 N 112.480 1.500 1 495 50 50 GLY H H 8.417 0.100 1 496 50 50 GLY HA2 H 3.936 0.100 2 497 50 50 GLY HA3 H 3.950 0.100 2 498 50 50 GLY CA C 45.139 1.500 1 499 50 50 GLY N N 110.041 1.500 1 500 51 51 GLU H H 8.247 0.100 1 501 51 51 GLU HA H 4.659 0.100 1 502 51 51 GLU HB2 H 2.015 0.100 2 503 51 51 GLU HB3 H 2.015 0.100 2 504 51 51 GLU HG2 H 2.361 0.100 2 505 51 51 GLU HG3 H 2.361 0.100 2 506 51 51 GLU CA C 54.320 1.500 1 507 51 51 GLU CB C 30.379 1.500 1 508 51 51 GLU CG C 35.966 1.500 1 509 51 51 GLU N N 121.880 1.500 1 510 52 52 PRO HA H 4.519 0.100 1 511 52 52 PRO HB2 H 2.288 0.100 1 512 52 52 PRO HB3 H 1.994 0.100 1 513 52 52 PRO HG2 H 1.926 0.100 2 514 52 52 PRO HG3 H 1.946 0.100 2 515 52 52 PRO HD2 H 3.813 0.100 2 516 52 52 PRO HD3 H 3.830 0.100 2 517 52 52 PRO CA C 62.671 1.500 1 518 52 52 PRO CB C 32.273 1.500 1 519 52 52 PRO CG C 27.594 1.500 1 520 52 52 PRO CD C 50.153 1.500 1 521 53 53 ALA H H 8.590 0.100 1 522 53 53 ALA HA H 4.223 0.100 1 523 53 53 ALA HB H 1.450 0.100 1 524 53 53 ALA CA C 53.722 1.500 1 525 53 53 ALA CB C 19.200 1.500 1 526 53 53 ALA N N 122.594 1.500 1 527 54 54 ARG H H 7.701 0.100 1 528 54 54 ARG HA H 4.985 0.100 1 529 54 54 ARG HB2 H 1.485 0.100 2 530 54 54 ARG HB3 H 1.485 0.100 2 531 54 54 ARG HG2 H 1.393 0.100 2 532 54 54 ARG HG3 H 1.393 0.100 2 533 54 54 ARG HD2 H 2.963 0.100 2 534 54 54 ARG HD3 H 2.963 0.100 2 535 54 54 ARG CA C 54.559 1.500 1 536 54 54 ARG CB C 34.239 1.500 1 537 54 54 ARG CG C 26.578 1.500 1 538 54 54 ARG CD C 43.790 1.500 1 539 54 54 ARG N N 115.359 1.500 1 540 55 55 VAL H H 7.836 0.100 1 541 55 55 VAL HA H 4.278 0.100 1 542 55 55 VAL HB H 1.365 0.100 1 543 55 55 VAL HG1 H 0.065 0.100 1 544 55 55 VAL HG2 H -0.626 0.100 1 545 55 55 VAL CA C 58.867 1.500 1 546 55 55 VAL CB C 35.132 1.500 1 547 55 55 VAL CG1 C 21.065 1.500 1 548 55 55 VAL CG2 C 17.927 1.500 1 549 55 55 VAL N N 113.724 1.500 1 550 56 56 ARG H H 8.186 0.100 1 551 56 56 ARG HA H 4.821 0.100 1 552 56 56 ARG HB2 H 1.251 0.100 1 553 56 56 ARG HB3 H 1.702 0.100 1 554 56 56 ARG HG2 H 1.150 0.100 2 555 56 56 ARG HG3 H 1.407 0.100 2 556 56 56 ARG HD2 H 2.912 0.100 2 557 56 56 ARG HD3 H 2.871 0.100 2 558 56 56 ARG CA C 55.098 1.500 1 559 56 56 ARG CB C 34.501 1.500 1 560 56 56 ARG CG C 27.032 1.500 1 561 56 56 ARG CD C 44.156 1.500 1 562 56 56 ARG N N 120.680 1.500 1 563 57 57 CYS H H 7.221 0.100 1 564 57 57 CYS HA H 5.717 0.100 1 565 57 57 CYS HB2 H 3.132 0.100 1 566 57 57 CYS HB3 H 2.856 0.100 1 567 57 57 CYS CA C 55.907 1.500 1 568 57 57 CYS CB C 33.656 1.500 1 569 57 57 CYS N N 117.580 1.500 1 570 58 58 SER H H 9.360 0.100 1 571 58 58 SER HA H 5.875 0.100 1 572 58 58 SER HB2 H 3.962 0.100 2 573 58 58 SER HB3 H 3.462 0.100 2 574 58 58 SER CA C 56.284 1.500 1 575 58 58 SER CB C 66.238 1.500 1 576 58 58 SER N N 116.551 1.500 1 577 59 59 HIS H H 9.797 0.100 1 578 59 59 HIS HA H 6.284 0.100 1 579 59 59 HIS HB2 H 3.630 0.100 2 580 59 59 HIS HB3 H 3.319 0.100 2 581 59 59 HIS HD2 H 7.147 0.100 1 582 59 59 HIS HE1 H 7.729 0.100 1 583 59 59 HIS CA C 54.306 1.500 1 584 59 59 HIS CB C 37.313 1.500 1 585 59 59 HIS CD2 C 116.446 1.500 1 586 59 59 HIS CE1 C 136.650 1.500 1 587 59 59 HIS N N 119.977 1.500 1 588 60 60 LEU H H 8.936 0.100 1 589 60 60 LEU HA H 3.934 0.100 1 590 60 60 LEU HB2 H 1.512 0.100 2 591 60 60 LEU HB3 H 1.038 0.100 2 592 60 60 LEU HG H 1.203 0.100 1 593 60 60 LEU HD1 H 0.145 0.100 1 594 60 60 LEU HD2 H 0.574 0.100 1 595 60 60 LEU CA C 55.874 1.500 1 596 60 60 LEU CB C 45.374 1.500 1 597 60 60 LEU CG C 30.700 1.500 1 598 60 60 LEU CD1 C 26.527 1.500 1 599 60 60 LEU CD2 C 24.167 1.500 1 600 60 60 LEU N N 125.383 1.500 1 601 61 61 LEU H H 8.109 0.100 1 602 61 61 LEU HA H 4.668 0.100 1 603 61 61 LEU HB2 H 0.741 0.100 2 604 61 61 LEU HB3 H 1.419 0.100 2 605 61 61 LEU HG H 0.957 0.100 1 606 61 61 LEU HD1 H -0.293 0.100 1 607 61 61 LEU HD2 H 0.678 0.100 1 608 61 61 LEU CA C 52.611 1.500 1 609 61 61 LEU CB C 45.218 1.500 1 610 61 61 LEU CG C 27.082 1.500 1 611 61 61 LEU CD1 C 19.973 1.500 1 612 61 61 LEU CD2 C 26.899 1.500 1 613 61 61 LEU N N 127.216 1.500 1 614 62 62 VAL H H 9.510 0.100 1 615 62 62 VAL HA H 4.636 0.100 1 616 62 62 VAL HB H 1.810 0.100 1 617 62 62 VAL HG1 H 1.165 0.100 1 618 62 62 VAL HG2 H 0.948 0.100 1 619 62 62 VAL CA C 61.869 1.500 1 620 62 62 VAL CB C 33.154 1.500 1 621 62 62 VAL CG1 C 22.460 1.500 1 622 62 62 VAL CG2 C 21.645 1.500 1 623 62 62 VAL N N 128.214 1.500 1 624 63 63 LYS H H 9.122 0.100 1 625 63 63 LYS HA H 4.126 0.100 1 626 63 63 LYS HB2 H 1.633 0.100 2 627 63 63 LYS HB3 H 1.640 0.100 2 628 63 63 LYS HG2 H 1.290 0.100 2 629 63 63 LYS HG3 H 1.290 0.100 2 630 63 63 LYS HD2 H 1.486 0.100 2 631 63 63 LYS HD3 H 1.918 0.100 2 632 63 63 LYS HE2 H 3.106 0.100 2 633 63 63 LYS HE3 H 2.985 0.100 2 634 63 63 LYS CA C 56.756 1.500 1 635 63 63 LYS CB C 36.457 1.500 1 636 63 63 LYS CG C 26.896 1.500 1 637 63 63 LYS CD C 31.808 1.500 1 638 63 63 LYS CE C 42.853 1.500 1 639 63 63 LYS N N 125.482 1.500 1 640 64 64 HIS H H 8.356 0.100 1 641 64 64 HIS HA H 4.661 0.100 1 642 64 64 HIS HB2 H 3.130 0.100 2 643 64 64 HIS HB3 H 2.698 0.100 2 644 64 64 HIS HD2 H 6.493 0.100 1 645 64 64 HIS HE1 H 7.532 0.100 1 646 64 64 HIS CA C 54.800 1.500 1 647 64 64 HIS CB C 33.663 1.500 1 648 64 64 HIS CD2 C 116.155 1.500 1 649 64 64 HIS CE1 C 139.866 1.500 1 650 64 64 HIS N N 114.102 1.500 1 651 65 65 SER H H 9.489 0.100 1 652 65 65 SER HA H 4.088 0.100 1 653 65 65 SER HB2 H 3.674 0.100 2 654 65 65 SER HB3 H 4.120 0.100 2 655 65 65 SER CA C 61.082 1.500 1 656 65 65 SER CB C 63.277 1.500 1 657 65 65 SER N N 113.737 1.500 1 658 66 66 GLN H H 9.177 0.100 1 659 66 66 GLN HA H 4.671 0.100 1 660 66 66 GLN HB2 H 2.623 0.100 2 661 66 66 GLN HB3 H 2.058 0.100 2 662 66 66 GLN HG2 H 2.446 0.100 2 663 66 66 GLN HG3 H 2.446 0.100 2 664 66 66 GLN HE21 H 7.617 0.100 2 665 66 66 GLN HE22 H 6.914 0.100 2 666 66 66 GLN CA C 55.230 1.500 1 667 66 66 GLN CB C 29.365 1.500 1 668 66 66 GLN CG C 35.109 1.500 1 669 66 66 GLN N N 120.470 1.500 1 670 66 66 GLN NE2 N 112.475 1.500 1 671 67 67 SER H H 7.846 0.100 1 672 67 67 SER HA H 3.802 0.100 1 673 67 67 SER HB2 H 3.552 0.100 2 674 67 67 SER HB3 H 3.587 0.100 2 675 67 67 SER CA C 61.769 1.500 1 676 67 67 SER CB C 63.867 1.500 1 677 67 67 SER N N 121.335 1.500 1 678 68 68 ARG H H 8.320 0.100 1 679 68 68 ARG HA H 4.114 0.100 1 680 68 68 ARG HB2 H 1.775 0.100 2 681 68 68 ARG HB3 H 1.924 0.100 2 682 68 68 ARG HG2 H 1.577 0.100 1 683 68 68 ARG HG3 H 1.772 0.100 1 684 68 68 ARG HD2 H 3.139 0.100 1 685 68 68 ARG HD3 H 3.023 0.100 1 686 68 68 ARG CA C 58.960 1.500 1 687 68 68 ARG CB C 29.294 1.500 1 688 68 68 ARG CG C 26.355 1.500 1 689 68 68 ARG CD C 43.716 1.500 1 690 68 68 ARG N N 121.695 1.500 1 691 69 69 ARG H H 8.374 0.100 1 692 69 69 ARG HA H 4.772 0.100 1 693 69 69 ARG HB2 H 1.724 0.100 2 694 69 69 ARG HB3 H 1.925 0.100 2 695 69 69 ARG HG2 H 1.507 0.100 2 696 69 69 ARG HG3 H 1.507 0.100 2 697 69 69 ARG HD2 H 3.212 0.100 2 698 69 69 ARG HD3 H 3.212 0.100 2 699 69 69 ARG CA C 53.303 1.500 1 700 69 69 ARG CB C 32.078 1.500 1 701 69 69 ARG CG C 27.710 1.500 1 702 69 69 ARG CD C 43.435 1.500 1 703 69 69 ARG N N 119.051 1.500 1 704 70 70 PRO HA H 4.410 0.100 1 705 70 70 PRO HB2 H 2.571 0.100 1 706 70 70 PRO HB3 H 1.850 0.100 1 707 70 70 PRO HG2 H 1.994 0.100 2 708 70 70 PRO HG3 H 2.106 0.100 2 709 70 70 PRO HD2 H 3.471 0.100 2 710 70 70 PRO HD3 H 3.654 0.100 2 711 70 70 PRO CA C 62.688 1.500 1 712 70 70 PRO CB C 27.374 1.500 1 713 70 70 PRO CG C 27.132 1.500 1 714 70 70 PRO CD C 50.187 1.500 1 715 71 71 SER H H 9.156 0.100 1 716 71 71 SER HA H 4.397 0.100 1 717 71 71 SER HB2 H 3.732 0.100 2 718 71 71 SER HB3 H 3.511 0.100 2 719 71 71 SER CA C 58.449 1.500 1 720 71 71 SER CB C 65.748 1.500 1 721 71 71 SER N N 121.300 1.500 1 722 72 72 SER H H 8.952 0.100 1 723 72 72 SER HA H 5.026 0.100 1 724 72 72 SER HB2 H 3.806 0.100 2 725 72 72 SER HB3 H 4.400 0.100 2 726 72 72 SER CA C 56.950 1.500 1 727 72 72 SER CB C 69.335 1.500 1 728 72 72 SER N N 118.947 1.500 1 729 73 73 TRP H H 8.569 0.100 1 730 73 73 TRP HA H 4.351 0.100 1 731 73 73 TRP HB2 H 3.557 0.100 2 732 73 73 TRP HB3 H 3.152 0.100 2 733 73 73 TRP HD1 H 7.308 0.100 1 734 73 73 TRP HE1 H 9.998 0.100 1 735 73 73 TRP HE3 H 7.395 0.100 1 736 73 73 TRP HZ2 H 7.264 0.100 1 737 73 73 TRP HZ3 H 7.070 0.100 1 738 73 73 TRP HH2 H 7.151 0.100 1 739 73 73 TRP CA C 58.171 1.500 1 740 73 73 TRP CB C 27.086 1.500 1 741 73 73 TRP CD1 C 126.001 1.500 1 742 73 73 TRP CE3 C 120.495 1.500 1 743 73 73 TRP CZ2 C 115.815 1.500 1 744 73 73 TRP CZ3 C 121.964 1.500 1 745 73 73 TRP CH2 C 124.992 1.500 1 746 73 73 TRP N N 118.808 1.500 1 747 73 73 TRP NE1 N 132.761 1.500 1 748 74 74 ARG H H 7.033 0.100 1 749 74 74 ARG HA H 3.514 0.100 1 750 74 74 ARG HB2 H 0.671 0.100 2 751 74 74 ARG HB3 H 0.949 0.100 2 752 74 74 ARG HG2 H -0.024 0.100 2 753 74 74 ARG HG3 H -0.643 0.100 2 754 74 74 ARG HD2 H 2.414 0.100 2 755 74 74 ARG HD3 H 2.623 0.100 2 756 74 74 ARG CA C 57.014 1.500 1 757 74 74 ARG CB C 30.278 1.500 1 758 74 74 ARG CG C 25.993 1.500 1 759 74 74 ARG CD C 42.412 1.500 1 760 74 74 ARG N N 117.847 1.500 1 761 75 75 GLN H H 6.877 0.100 1 762 75 75 GLN HA H 4.248 0.100 1 763 75 75 GLN HB2 H 1.726 0.100 2 764 75 75 GLN HB3 H 1.660 0.100 2 765 75 75 GLN HG2 H 2.033 0.100 2 766 75 75 GLN HG3 H 2.073 0.100 2 767 75 75 GLN HE21 H 7.401 0.100 2 768 75 75 GLN HE22 H 6.507 0.100 2 769 75 75 GLN CA C 55.677 1.500 1 770 75 75 GLN CB C 32.239 1.500 1 771 75 75 GLN CG C 34.240 1.500 1 772 75 75 GLN N N 118.356 1.500 1 773 75 75 GLN NE2 N 110.956 1.500 1 774 76 76 GLU H H 8.643 0.100 1 775 76 76 GLU HA H 4.019 0.100 1 776 76 76 GLU HB2 H 1.960 0.100 1 777 76 76 GLU HB3 H 2.027 0.100 1 778 76 76 GLU HG2 H 2.235 0.100 2 779 76 76 GLU HG3 H 2.287 0.100 2 780 76 76 GLU CA C 59.295 1.500 1 781 76 76 GLU CB C 29.766 1.500 1 782 76 76 GLU CG C 36.270 1.500 1 783 77 77 LYS H H 7.992 0.100 1 784 77 77 LYS HA H 4.655 0.100 1 785 77 77 LYS HB2 H 1.623 0.100 2 786 77 77 LYS HB3 H 1.657 0.100 2 787 77 77 LYS HG2 H 1.190 0.100 2 788 77 77 LYS HG3 H 1.328 0.100 2 789 77 77 LYS HD2 H 1.636 0.100 2 790 77 77 LYS HD3 H 1.636 0.100 2 791 77 77 LYS HE2 H 2.929 0.100 2 792 77 77 LYS HE3 H 2.929 0.100 2 793 77 77 LYS CA C 55.300 1.500 1 794 77 77 LYS CB C 34.111 1.500 1 795 77 77 LYS CG C 24.674 1.500 1 796 77 77 LYS CD C 29.153 1.500 1 797 77 77 LYS CE C 42.158 1.500 1 798 77 77 LYS N N 117.767 1.500 1 799 78 78 ILE H H 7.799 0.100 1 800 78 78 ILE HA H 3.831 0.100 1 801 78 78 ILE HB H 1.218 0.100 1 802 78 78 ILE HG12 H 1.091 0.100 1 803 78 78 ILE HG13 H 1.189 0.100 1 804 78 78 ILE HG2 H 0.519 0.100 1 805 78 78 ILE HD1 H 0.642 0.100 1 806 78 78 ILE CA C 61.022 1.500 1 807 78 78 ILE CB C 37.432 1.500 1 808 78 78 ILE CG1 C 26.807 1.500 1 809 78 78 ILE CG2 C 16.461 1.500 1 810 78 78 ILE CD1 C 12.708 1.500 1 811 78 78 ILE N N 126.114 1.500 1 812 79 79 THR H H 8.171 0.100 1 813 79 79 THR HA H 4.338 0.100 1 814 79 79 THR HB H 4.401 0.100 1 815 79 79 THR HG2 H 1.040 0.100 1 816 79 79 THR CA C 60.688 1.500 1 817 79 79 THR CB C 69.924 1.500 1 818 79 79 THR CG2 C 21.347 1.500 1 819 79 79 THR N N 116.386 1.500 1 820 80 80 ARG H H 7.573 0.100 1 821 80 80 ARG HA H 4.584 0.100 1 822 80 80 ARG HB2 H 2.014 0.100 2 823 80 80 ARG HB3 H 1.947 0.100 2 824 80 80 ARG HG2 H 1.619 0.100 1 825 80 80 ARG HG3 H 1.447 0.100 1 826 80 80 ARG HD2 H 3.722 0.100 1 827 80 80 ARG HD3 H 2.508 0.100 1 828 80 80 ARG CA C 55.751 1.500 1 829 80 80 ARG CB C 30.962 1.500 1 830 80 80 ARG CD C 43.621 1.500 1 831 80 80 ARG N N 123.871 1.500 1 832 81 81 THR H H 8.988 0.100 1 833 81 81 THR HA H 4.583 0.100 1 834 81 81 THR HB H 4.766 0.100 1 835 81 81 THR HG2 H 1.394 0.100 1 836 81 81 THR CA C 61.039 1.500 1 837 81 81 THR CB C 71.710 1.500 1 838 81 81 THR CG2 C 22.040 1.500 1 839 81 81 THR N N 113.517 1.500 1 840 82 82 LYS H H 8.830 0.100 1 841 82 82 LYS HA H 3.420 0.100 1 842 82 82 LYS HB2 H 1.344 0.100 1 843 82 82 LYS HB3 H 1.071 0.100 1 844 82 82 LYS HG2 H 0.765 0.100 1 845 82 82 LYS HG3 H 1.010 0.100 1 846 82 82 LYS HD2 H 1.468 0.100 2 847 82 82 LYS HD3 H 1.468 0.100 2 848 82 82 LYS HE2 H 2.788 0.100 2 849 82 82 LYS HE3 H 2.788 0.100 2 850 82 82 LYS CA C 60.291 1.500 1 851 82 82 LYS CB C 32.071 1.500 1 852 82 82 LYS CG C 24.550 1.500 1 853 82 82 LYS CD C 29.823 1.500 1 854 82 82 LYS CE C 41.794 1.500 1 855 82 82 LYS N N 122.414 1.500 1 856 83 83 GLU H H 8.520 0.100 1 857 83 83 GLU HA H 3.878 0.100 1 858 83 83 GLU HB2 H 2.040 0.100 2 859 83 83 GLU HB3 H 1.891 0.100 2 860 83 83 GLU HG2 H 2.197 0.100 2 861 83 83 GLU HG3 H 2.427 0.100 2 862 83 83 GLU CA C 60.856 1.500 1 863 83 83 GLU CB C 28.645 1.500 1 864 83 83 GLU CG C 37.368 1.500 1 865 83 83 GLU N N 118.267 1.500 1 866 84 84 GLU H H 7.924 0.100 1 867 84 84 GLU HA H 3.935 0.100 1 868 84 84 GLU HB2 H 1.895 0.100 2 869 84 84 GLU HB3 H 2.392 0.100 2 870 84 84 GLU HG2 H 2.236 0.100 2 871 84 84 GLU HG3 H 2.357 0.100 2 872 84 84 GLU CA C 58.995 1.500 1 873 84 84 GLU CB C 30.146 1.500 1 874 84 84 GLU CG C 36.937 1.500 1 875 84 84 GLU N N 121.683 1.500 1 876 85 85 ALA H H 8.635 0.100 1 877 85 85 ALA HA H 3.975 0.100 1 878 85 85 ALA HB H 1.405 0.100 1 879 85 85 ALA CA C 54.992 1.500 1 880 85 85 ALA CB C 18.749 1.500 1 881 85 85 ALA N N 121.983 1.500 1 882 86 86 LEU H H 8.176 0.100 1 883 86 86 LEU HA H 3.871 0.100 1 884 86 86 LEU HB2 H 2.007 0.100 1 885 86 86 LEU HB3 H 1.427 0.100 1 886 86 86 LEU HG H 1.658 0.100 1 887 86 86 LEU HD1 H 1.002 0.100 1 888 86 86 LEU HD2 H 1.067 0.100 1 889 86 86 LEU CA C 57.490 1.500 1 890 86 86 LEU CB C 41.457 1.500 1 891 86 86 LEU CG C 26.896 1.500 1 892 86 86 LEU CD1 C 22.941 1.500 1 893 86 86 LEU CD2 C 25.877 1.500 1 894 86 86 LEU N N 120.136 1.500 1 895 87 87 GLU H H 7.679 0.100 1 896 87 87 GLU HA H 4.013 0.100 1 897 87 87 GLU HB2 H 2.021 0.100 2 898 87 87 GLU HB3 H 2.055 0.100 2 899 87 87 GLU HG2 H 2.178 0.100 2 900 87 87 GLU HG3 H 2.292 0.100 2 901 87 87 GLU CA C 59.532 1.500 1 902 87 87 GLU CB C 29.268 1.500 1 903 87 87 GLU CG C 36.123 1.500 1 904 87 87 GLU N N 119.311 1.500 1 905 88 88 LEU H H 7.730 0.100 1 906 88 88 LEU HA H 3.616 0.100 1 907 88 88 LEU HB2 H 1.919 0.100 1 908 88 88 LEU HB3 H 0.966 0.100 1 909 88 88 LEU HG H 1.526 0.100 1 910 88 88 LEU HD1 H 0.799 0.100 1 911 88 88 LEU HD2 H 0.632 0.100 1 912 88 88 LEU CA C 57.669 1.500 1 913 88 88 LEU CB C 41.559 1.500 1 914 88 88 LEU CG C 26.925 1.500 1 915 88 88 LEU CD1 C 25.381 1.500 1 916 88 88 LEU CD2 C 22.631 1.500 1 917 88 88 LEU N N 121.184 1.500 1 918 89 89 ILE H H 8.043 0.100 1 919 89 89 ILE HA H 3.632 0.100 1 920 89 89 ILE HB H 2.291 0.100 1 921 89 89 ILE HG12 H 1.509 0.100 2 922 89 89 ILE HG13 H 1.185 0.100 2 923 89 89 ILE HG2 H 0.772 0.100 1 924 89 89 ILE HD1 H 0.713 0.100 1 925 89 89 ILE CA C 62.595 1.500 1 926 89 89 ILE CB C 35.423 1.500 1 927 89 89 ILE CG1 C 27.346 1.500 1 928 89 89 ILE CG2 C 16.512 1.500 1 929 89 89 ILE CD1 C 10.527 1.500 1 930 89 89 ILE N N 120.207 1.500 1 931 90 90 ASN H H 8.730 0.100 1 932 90 90 ASN HA H 4.507 0.100 1 933 90 90 ASN HB2 H 2.782 0.100 1 934 90 90 ASN HB3 H 2.645 0.100 1 935 90 90 ASN HD21 H 6.574 0.100 2 936 90 90 ASN HD22 H 7.282 0.100 2 937 90 90 ASN CA C 55.954 1.500 1 938 90 90 ASN CB C 37.636 1.500 1 939 90 90 ASN N N 118.845 1.500 1 940 90 90 ASN ND2 N 109.964 1.500 1 941 91 91 GLY H H 7.947 0.100 1 942 91 91 GLY HA2 H 3.849 0.100 2 943 91 91 GLY HA3 H 3.849 0.100 2 944 91 91 GLY CA C 47.061 1.500 1 945 91 91 GLY N N 110.186 1.500 1 946 92 92 TYR H H 8.092 0.100 1 947 92 92 TYR HA H 4.402 0.100 1 948 92 92 TYR HB2 H 3.151 0.100 1 949 92 92 TYR HB3 H 2.842 0.100 1 950 92 92 TYR HD1 H 6.641 0.100 3 951 92 92 TYR HD2 H 6.641 0.100 3 952 92 92 TYR HE1 H 6.147 0.100 3 953 92 92 TYR HE2 H 6.147 0.100 3 954 92 92 TYR CA C 58.681 1.500 1 955 92 92 TYR CB C 36.004 1.500 1 956 92 92 TYR CD1 C 131.291 1.500 3 957 92 92 TYR CD2 C 131.291 1.500 3 958 92 92 TYR CE1 C 117.220 1.500 3 959 92 92 TYR CE2 C 117.220 1.500 3 960 92 92 TYR N N 123.037 1.500 1 961 93 93 ILE H H 8.636 0.100 1 962 93 93 ILE HA H 3.516 0.100 1 963 93 93 ILE HB H 2.061 0.100 1 964 93 93 ILE HG12 H 2.099 0.100 1 965 93 93 ILE HG13 H 0.991 0.100 1 966 93 93 ILE HG2 H 0.990 0.100 1 967 93 93 ILE HD1 H 0.990 0.100 1 968 93 93 ILE CA C 67.157 1.500 1 969 93 93 ILE CB C 38.329 1.500 1 970 93 93 ILE CG1 C 30.873 1.500 1 971 93 93 ILE CG2 C 17.211 1.500 1 972 93 93 ILE CD1 C 14.258 1.500 1 973 93 93 ILE N N 118.848 1.500 1 974 94 94 GLN H H 7.793 0.100 1 975 94 94 GLN HA H 4.049 0.100 1 976 94 94 GLN HB2 H 2.262 0.100 2 977 94 94 GLN HB3 H 2.216 0.100 2 978 94 94 GLN HG2 H 2.497 0.100 2 979 94 94 GLN HG3 H 2.497 0.100 2 980 94 94 GLN HE21 H 6.887 0.100 2 981 94 94 GLN HE22 H 7.462 0.100 2 982 94 94 GLN CA C 59.125 1.500 1 983 94 94 GLN CB C 28.014 1.500 1 984 94 94 GLN CG C 33.632 1.500 1 985 94 94 GLN N N 117.544 1.500 1 986 94 94 GLN NE2 N 112.123 1.500 1 987 95 95 LYS H H 8.052 0.100 1 988 95 95 LYS HA H 4.094 0.100 1 989 95 95 LYS HB2 H 2.111 0.100 1 990 95 95 LYS HB3 H 1.673 0.100 1 991 95 95 LYS HG2 H 1.715 0.100 2 992 95 95 LYS HG3 H 1.556 0.100 2 993 95 95 LYS HD2 H 1.705 0.100 2 994 95 95 LYS HD3 H 1.566 0.100 2 995 95 95 LYS HE2 H 2.965 0.100 2 996 95 95 LYS HE3 H 2.965 0.100 2 997 95 95 LYS CA C 59.694 1.500 1 998 95 95 LYS CB C 33.622 1.500 1 999 95 95 LYS CG C 25.905 1.500 1 1000 95 95 LYS CD C 29.839 1.500 1 1001 95 95 LYS CE C 42.165 1.500 1 1002 95 95 LYS N N 120.167 1.500 1 1003 96 96 ILE H H 8.153 0.100 1 1004 96 96 ILE HA H 4.289 0.100 1 1005 96 96 ILE HB H 1.819 0.100 1 1006 96 96 ILE HG12 H 0.652 0.100 1 1007 96 96 ILE HG13 H 1.813 0.100 1 1008 96 96 ILE HG2 H 1.118 0.100 1 1009 96 96 ILE HD1 H 0.820 0.100 1 1010 96 96 ILE CA C 64.015 1.500 1 1011 96 96 ILE CB C 39.049 1.500 1 1012 96 96 ILE CG1 C 29.525 1.500 1 1013 96 96 ILE CG2 C 18.219 1.500 1 1014 96 96 ILE CD1 C 14.843 1.500 1 1015 96 96 ILE N N 120.059 1.500 1 1016 97 97 LYS H H 9.052 0.100 1 1017 97 97 LYS HA H 4.095 0.100 1 1018 97 97 LYS HB2 H 1.902 0.100 2 1019 97 97 LYS HB3 H 1.949 0.100 2 1020 97 97 LYS HG2 H 1.728 0.100 1 1021 97 97 LYS HG3 H 1.497 0.100 1 1022 97 97 LYS HD2 H 1.682 0.100 2 1023 97 97 LYS HD3 H 1.692 0.100 2 1024 97 97 LYS HE2 H 2.983 0.100 2 1025 97 97 LYS HE3 H 2.983 0.100 2 1026 97 97 LYS CA C 59.912 1.500 1 1027 97 97 LYS CB C 32.656 1.500 1 1028 97 97 LYS CG C 26.231 1.500 1 1029 97 97 LYS CD C 29.298 1.500 1 1030 97 97 LYS CE C 42.097 1.500 1 1031 97 97 LYS N N 120.939 1.500 1 1032 98 98 SER H H 8.142 0.100 1 1033 98 98 SER HA H 4.429 0.100 1 1034 98 98 SER HB2 H 4.122 0.100 2 1035 98 98 SER HB3 H 4.053 0.100 2 1036 98 98 SER CA C 59.494 1.500 1 1037 98 98 SER CB C 64.193 1.500 1 1038 98 98 SER N N 111.476 1.500 1 1039 99 99 GLY H H 7.807 0.100 1 1040 99 99 GLY HA2 H 4.226 0.100 2 1041 99 99 GLY HA3 H 3.902 0.100 2 1042 99 99 GLY CA C 45.429 1.500 1 1043 99 99 GLY N N 110.309 1.500 1 1044 100 100 GLU H H 8.257 0.100 1 1045 100 100 GLU HA H 4.017 0.100 1 1046 100 100 GLU HB2 H 2.036 0.100 2 1047 100 100 GLU HB3 H 2.036 0.100 2 1048 100 100 GLU HG2 H 2.355 0.100 2 1049 100 100 GLU HG3 H 2.355 0.100 2 1050 100 100 GLU CA C 58.965 1.500 1 1051 100 100 GLU CB C 30.991 1.500 1 1052 100 100 GLU CG C 36.932 1.500 1 1053 100 100 GLU N N 121.757 1.500 1 1054 101 101 GLU H H 7.375 0.100 1 1055 101 101 GLU HA H 4.631 0.100 1 1056 101 101 GLU HB2 H 1.966 0.100 1 1057 101 101 GLU HB3 H 1.345 0.100 1 1058 101 101 GLU HG2 H 2.222 0.100 2 1059 101 101 GLU HG3 H 2.222 0.100 2 1060 101 101 GLU CA C 54.252 1.500 1 1061 101 101 GLU CB C 34.332 1.500 1 1062 101 101 GLU CG C 35.990 1.500 1 1063 101 101 GLU N N 114.325 1.500 1 1064 102 102 ASP H H 8.343 0.100 1 1065 102 102 ASP HA H 4.875 0.100 1 1066 102 102 ASP HB2 H 2.926 0.100 2 1067 102 102 ASP HB3 H 2.677 0.100 2 1068 102 102 ASP CA C 52.343 1.500 1 1069 102 102 ASP CB C 43.166 1.500 1 1070 102 102 ASP N N 118.595 1.500 1 1071 103 103 PHE H H 9.092 0.100 1 1072 103 103 PHE HA H 3.624 0.100 1 1073 103 103 PHE HB2 H 3.122 0.100 2 1074 103 103 PHE HB3 H 3.057 0.100 2 1075 103 103 PHE HD1 H 7.024 0.100 3 1076 103 103 PHE HD2 H 7.024 0.100 3 1077 103 103 PHE HE1 H 6.921 0.100 3 1078 103 103 PHE HE2 H 6.921 0.100 3 1079 103 103 PHE CA C 62.750 1.500 1 1080 103 103 PHE CB C 40.152 1.500 1 1081 103 103 PHE CD1 C 131.966 1.500 3 1082 103 103 PHE CD2 C 131.966 1.500 3 1083 103 103 PHE CE1 C 130.132 1.500 3 1084 103 103 PHE CE2 C 130.132 1.500 3 1085 103 103 PHE N N 122.253 1.500 1 1086 104 104 GLU H H 8.981 0.100 1 1087 104 104 GLU HA H 3.810 0.100 1 1088 104 104 GLU HB2 H 2.221 0.100 2 1089 104 104 GLU HB3 H 2.010 0.100 2 1090 104 104 GLU HG2 H 2.643 0.100 2 1091 104 104 GLU HG3 H 2.594 0.100 2 1092 104 104 GLU CA C 60.649 1.500 1 1093 104 104 GLU CB C 29.732 1.500 1 1094 104 104 GLU CG C 37.892 1.500 1 1095 104 104 GLU N N 116.648 1.500 1 1096 105 105 SER H H 8.039 0.100 1 1097 105 105 SER HA H 4.135 0.100 1 1098 105 105 SER HB2 H 3.935 0.100 1 1099 105 105 SER HB3 H 3.986 0.100 1 1100 105 105 SER CA C 61.339 1.500 1 1101 105 105 SER CB C 62.681 1.500 1 1102 105 105 SER N N 115.926 1.500 1 1103 106 106 LEU H H 7.669 0.100 1 1104 106 106 LEU HA H 3.967 0.100 1 1105 106 106 LEU HB2 H 1.469 0.100 2 1106 106 106 LEU HB3 H 0.712 0.100 2 1107 106 106 LEU HG H 1.589 0.100 1 1108 106 106 LEU HD1 H 0.656 0.100 1 1109 106 106 LEU HD2 H 0.725 0.100 1 1110 106 106 LEU CA C 57.391 1.500 1 1111 106 106 LEU CB C 41.639 1.500 1 1112 106 106 LEU CG C 26.217 1.500 1 1113 106 106 LEU CD1 C 26.620 1.500 1 1114 106 106 LEU CD2 C 23.083 1.500 1 1115 106 106 LEU N N 120.738 1.500 1 1116 107 107 ALA H H 8.777 0.100 1 1117 107 107 ALA HA H 3.620 0.100 1 1118 107 107 ALA HB H 0.992 0.100 1 1119 107 107 ALA CA C 55.476 1.500 1 1120 107 107 ALA CB C 16.830 1.500 1 1121 107 107 ALA N N 122.546 1.500 1 1122 108 108 SER H H 7.678 0.100 1 1123 108 108 SER HA H 4.502 0.100 1 1124 108 108 SER HB2 H 3.933 0.100 2 1125 108 108 SER HB3 H 3.840 0.100 2 1126 108 108 SER CA C 61.062 1.500 1 1127 108 108 SER CB C 63.761 1.500 1 1128 108 108 SER N N 108.477 1.500 1 1129 109 109 GLN H H 6.852 0.100 1 1130 109 109 GLN HA H 4.142 0.100 1 1131 109 109 GLN HB2 H 1.069 0.100 2 1132 109 109 GLN HB3 H 0.762 0.100 2 1133 109 109 GLN HG2 H 1.626 0.100 1 1134 109 109 GLN HG3 H 2.103 0.100 1 1135 109 109 GLN HE21 H 6.710 0.100 2 1136 109 109 GLN HE22 H 6.954 0.100 2 1137 109 109 GLN CA C 57.472 1.500 1 1138 109 109 GLN CB C 31.309 1.500 1 1139 109 109 GLN CG C 34.765 1.500 1 1140 109 109 GLN N N 115.061 1.500 1 1141 109 109 GLN NE2 N 111.138 1.500 1 1142 110 110 PHE H H 8.121 0.100 1 1143 110 110 PHE HA H 4.726 0.100 1 1144 110 110 PHE HB2 H 3.355 0.100 2 1145 110 110 PHE HB3 H 2.125 0.100 2 1146 110 110 PHE HD1 H 6.933 0.100 3 1147 110 110 PHE HD2 H 6.933 0.100 3 1148 110 110 PHE HE1 H 7.181 0.100 3 1149 110 110 PHE HE2 H 7.181 0.100 3 1150 110 110 PHE HZ H 7.185 0.100 1 1151 110 110 PHE CA C 57.490 1.500 1 1152 110 110 PHE CB C 41.286 1.500 1 1153 110 110 PHE CD1 C 131.934 1.500 3 1154 110 110 PHE CD2 C 131.934 1.500 3 1155 110 110 PHE CE1 C 130.712 1.500 3 1156 110 110 PHE CE2 C 130.712 1.500 3 1157 110 110 PHE CZ C 129.728 1.500 1 1158 110 110 PHE N N 112.565 1.500 1 1159 111 111 SER H H 7.829 0.100 1 1160 111 111 SER HA H 4.705 0.100 1 1161 111 111 SER HB2 H 4.521 0.100 2 1162 111 111 SER HB3 H 3.933 0.100 2 1163 111 111 SER CA C 57.162 1.500 1 1164 111 111 SER CB C 66.011 1.500 1 1165 111 111 SER N N 111.342 1.500 1 1166 112 112 ASP H H 9.925 0.100 1 1167 112 112 ASP HA H 4.551 0.100 1 1168 112 112 ASP HB2 H 2.735 0.100 2 1169 112 112 ASP HB3 H 2.192 0.100 2 1170 112 112 ASP CA C 56.066 1.500 1 1171 112 112 ASP CB C 43.507 1.500 1 1172 112 112 ASP N N 124.749 1.500 1 1173 113 113 CYS H H 8.116 0.100 1 1174 113 113 CYS HA H 4.542 0.100 1 1175 113 113 CYS HB2 H 2.772 0.100 1 1176 113 113 CYS HB3 H 2.524 0.100 1 1177 113 113 CYS CA C 59.873 1.500 1 1178 113 113 CYS CB C 29.373 1.500 1 1179 113 113 CYS N N 123.245 1.500 1 1180 114 114 SER H H 8.882 0.100 1 1181 114 114 SER HA H 4.088 0.100 1 1182 114 114 SER HB2 H 4.038 0.100 2 1183 114 114 SER HB3 H 4.038 0.100 2 1184 114 114 SER CA C 62.342 1.500 1 1185 114 114 SER CB C 62.581 1.500 1 1186 114 114 SER N N 127.502 1.500 1 1187 115 115 SER H H 9.828 0.100 1 1188 115 115 SER HA H 4.232 0.100 1 1189 115 115 SER HB2 H 3.967 0.100 2 1190 115 115 SER HB3 H 3.967 0.100 2 1191 115 115 SER CA C 61.508 1.500 1 1192 115 115 SER CB C 63.001 1.500 1 1193 115 115 SER N N 123.473 1.500 1 1194 116 116 ALA H H 8.566 0.100 1 1195 116 116 ALA HA H 3.790 0.100 1 1196 116 116 ALA HB H 1.725 0.100 1 1197 116 116 ALA CA C 56.573 1.500 1 1198 116 116 ALA CB C 20.234 1.500 1 1199 116 116 ALA N N 132.326 1.500 1 1200 117 117 LYS H H 7.039 0.100 1 1201 117 117 LYS HA H 3.963 0.100 1 1202 117 117 LYS HB2 H 1.727 0.100 2 1203 117 117 LYS HB3 H 1.650 0.100 2 1204 117 117 LYS HG2 H 1.165 0.100 2 1205 117 117 LYS HG3 H 1.217 0.100 2 1206 117 117 LYS HD2 H 1.418 0.100 1 1207 117 117 LYS HD3 H 1.418 0.100 1 1208 117 117 LYS HE2 H 2.449 0.100 2 1209 117 117 LYS HE3 H 2.638 0.100 2 1210 117 117 LYS CA C 57.713 1.500 1 1211 117 117 LYS CB C 31.685 1.500 1 1212 117 117 LYS CG C 24.590 1.500 1 1213 117 117 LYS CD C 28.550 1.500 1 1214 117 117 LYS CE C 41.872 1.500 1 1215 117 117 LYS N N 113.853 1.500 1 1216 118 118 ALA H H 7.733 0.100 1 1217 118 118 ALA HA H 4.702 0.100 1 1218 118 118 ALA HB H 1.463 0.100 1 1219 118 118 ALA CA C 50.798 1.500 1 1220 118 118 ALA CB C 18.449 1.500 1 1221 118 118 ALA N N 124.249 1.500 1 1222 119 119 ARG H H 8.064 0.100 1 1223 119 119 ARG HA H 3.686 0.100 1 1224 119 119 ARG HB2 H 2.018 0.100 1 1225 119 119 ARG HB3 H 2.142 0.100 1 1226 119 119 ARG HG2 H 1.507 0.100 2 1227 119 119 ARG HG3 H 1.507 0.100 2 1228 119 119 ARG HD2 H 3.144 0.100 2 1229 119 119 ARG HD3 H 3.188 0.100 2 1230 119 119 ARG CA C 57.746 1.500 1 1231 119 119 ARG CB C 26.862 1.500 1 1232 119 119 ARG CG C 27.443 1.500 1 1233 119 119 ARG CD C 43.653 1.500 1 1234 119 119 ARG N N 115.182 1.500 1 1235 120 120 GLY H H 8.317 0.100 1 1236 120 120 GLY HA2 H 4.429 0.100 2 1237 120 120 GLY HA3 H 3.784 0.100 2 1238 120 120 GLY CA C 44.649 1.500 1 1239 120 120 GLY N N 103.394 1.500 1 1240 121 121 ASP H H 7.151 0.100 1 1241 121 121 ASP HA H 4.764 0.100 1 1242 121 121 ASP HB2 H 2.825 0.100 2 1243 121 121 ASP HB3 H 2.825 0.100 2 1244 121 121 ASP CA C 55.964 1.500 1 1245 121 121 ASP CB C 42.098 1.500 1 1246 121 121 ASP N N 118.647 1.500 1 1247 122 122 LEU H H 8.761 0.100 1 1248 122 122 LEU HA H 4.462 0.100 1 1249 122 122 LEU HB2 H 1.916 0.100 2 1250 122 122 LEU HB3 H 1.435 0.100 2 1251 122 122 LEU HG H 1.697 0.100 1 1252 122 122 LEU HD1 H 0.132 0.100 1 1253 122 122 LEU HD2 H 0.625 0.100 1 1254 122 122 LEU CA C 54.386 1.500 1 1255 122 122 LEU CB C 44.159 1.500 1 1256 122 122 LEU CG C 26.237 1.500 1 1257 122 122 LEU CD1 C 26.289 1.500 1 1258 122 122 LEU CD2 C 22.500 1.500 1 1259 122 122 LEU N N 125.716 1.500 1 1260 123 123 GLY H H 8.285 0.100 1 1261 123 123 GLY HA2 H 4.250 0.100 2 1262 123 123 GLY HA3 H 3.591 0.100 2 1263 123 123 GLY CA C 44.647 1.500 1 1264 123 123 GLY N N 108.881 1.500 1 1265 124 124 ALA H H 8.101 0.100 1 1266 124 124 ALA HA H 5.274 0.100 1 1267 124 124 ALA HB H 1.124 0.100 1 1268 124 124 ALA CA C 50.373 1.500 1 1269 124 124 ALA CB C 20.298 1.500 1 1270 124 124 ALA N N 119.173 1.500 1 1271 125 125 PHE H H 8.910 0.100 1 1272 125 125 PHE HA H 5.058 0.100 1 1273 125 125 PHE HB2 H 3.151 0.100 2 1274 125 125 PHE HB3 H 3.151 0.100 2 1275 125 125 PHE HD1 H 7.216 0.100 3 1276 125 125 PHE HD2 H 7.216 0.100 3 1277 125 125 PHE HE1 H 7.307 0.100 3 1278 125 125 PHE HE2 H 7.307 0.100 3 1279 125 125 PHE HZ H 7.139 0.100 1 1280 125 125 PHE CA C 56.137 1.500 1 1281 125 125 PHE CB C 40.970 1.500 1 1282 125 125 PHE CD1 C 134.060 1.500 3 1283 125 125 PHE CD2 C 134.060 1.500 3 1284 125 125 PHE CE1 C 129.748 1.500 3 1285 125 125 PHE CE2 C 129.748 1.500 3 1286 125 125 PHE CZ C 129.580 1.500 1 1287 125 125 PHE N N 117.803 1.500 1 1288 126 126 SER H H 8.459 0.100 1 1289 126 126 SER HA H 5.355 0.100 1 1290 126 126 SER HB2 H 4.073 0.100 2 1291 126 126 SER HB3 H 3.967 0.100 2 1292 126 126 SER CA C 56.699 1.500 1 1293 126 126 SER CB C 66.559 1.500 1 1294 126 126 SER N N 113.855 1.500 1 1295 127 127 ARG H H 8.918 0.100 1 1296 127 127 ARG HA H 3.934 0.100 1 1297 127 127 ARG HB2 H 1.596 0.100 2 1298 127 127 ARG HB3 H 1.514 0.100 2 1299 127 127 ARG HG2 H 0.596 0.100 1 1300 127 127 ARG HG3 H 1.033 0.100 1 1301 127 127 ARG HD2 H 2.713 0.100 1 1302 127 127 ARG HD3 H 2.668 0.100 1 1303 127 127 ARG CA C 58.824 1.500 1 1304 127 127 ARG CB C 29.986 1.500 1 1305 127 127 ARG CG C 29.076 1.500 1 1306 127 127 ARG CD C 43.437 1.500 1 1307 127 127 ARG N N 121.386 1.500 1 1308 128 128 GLY H H 10.261 0.100 1 1309 128 128 GLY HA2 H 4.349 0.100 2 1310 128 128 GLY HA3 H 3.779 0.100 2 1311 128 128 GLY CA C 45.317 1.500 1 1312 128 128 GLY N N 112.616 1.500 1 1313 129 129 GLN H H 7.846 0.100 1 1314 129 129 GLN HA H 4.416 0.100 1 1315 129 129 GLN HB2 H 2.286 0.100 2 1316 129 129 GLN HB3 H 2.108 0.100 2 1317 129 129 GLN HG2 H 2.370 0.100 2 1318 129 129 GLN HG3 H 2.292 0.100 2 1319 129 129 GLN HE21 H 6.988 0.100 2 1320 129 129 GLN HE22 H 7.548 0.100 2 1321 129 129 GLN CA C 57.940 1.500 1 1322 129 129 GLN CB C 31.945 1.500 1 1323 129 129 GLN CG C 34.990 1.500 1 1324 129 129 GLN N N 118.914 1.500 1 1325 129 129 GLN NE2 N 112.178 1.500 1 1326 130 130 MET H H 9.097 0.100 1 1327 130 130 MET HA H 4.571 0.100 1 1328 130 130 MET HB2 H 1.800 0.100 1 1329 130 130 MET HB3 H 1.682 0.100 1 1330 130 130 MET HG2 H 1.186 0.100 2 1331 130 130 MET HG3 H 1.186 0.100 2 1332 130 130 MET HE H 1.189 0.100 1 1333 130 130 MET CA C 52.415 1.500 1 1334 130 130 MET CB C 33.609 1.500 1 1335 130 130 MET CG C 32.961 1.500 1 1336 130 130 MET CE C 17.672 1.500 1 1337 130 130 MET N N 118.192 1.500 1 1338 131 131 GLN H H 8.462 0.100 1 1339 131 131 GLN HA H 4.196 0.100 1 1340 131 131 GLN HB2 H 2.294 0.100 1 1341 131 131 GLN HB3 H 1.928 0.100 1 1342 131 131 GLN HG2 H 2.532 0.100 2 1343 131 131 GLN HG3 H 2.532 0.100 2 1344 131 131 GLN HE21 H 7.034 0.100 2 1345 131 131 GLN HE22 H 7.547 0.100 2 1346 131 131 GLN CA C 57.081 1.500 1 1347 131 131 GLN CB C 30.158 1.500 1 1348 131 131 GLN CG C 35.061 1.500 1 1349 131 131 GLN N N 118.476 1.500 1 1350 131 131 GLN NE2 N 111.920 1.500 1 1351 132 132 LYS H H 9.181 0.100 1 1352 132 132 LYS HA H 4.193 0.100 1 1353 132 132 LYS HB2 H 1.934 0.100 2 1354 132 132 LYS HB3 H 2.063 0.100 2 1355 132 132 LYS HG2 H 1.469 0.100 2 1356 132 132 LYS HG3 H 1.514 0.100 2 1357 132 132 LYS HD2 H 1.623 0.100 1 1358 132 132 LYS HD3 H 1.771 0.100 1 1359 132 132 LYS HE2 H 3.053 0.100 2 1360 132 132 LYS HE3 H 3.053 0.100 2 1361 132 132 LYS CA C 61.230 1.500 1 1362 132 132 LYS CB C 30.146 1.500 1 1363 132 132 LYS CG C 24.616 1.500 1 1364 132 132 LYS CD C 28.457 1.500 1 1365 132 132 LYS CE C 42.328 1.500 1 1366 132 132 LYS N N 126.158 1.500 1 1367 133 133 PRO HA H 4.535 0.100 1 1368 133 133 PRO HB2 H 2.562 0.100 2 1369 133 133 PRO HB3 H 1.778 0.100 2 1370 133 133 PRO HG2 H 2.253 0.100 2 1371 133 133 PRO HG3 H 2.253 0.100 2 1372 133 133 PRO HD2 H 3.640 0.100 1 1373 133 133 PRO HD3 H 3.933 0.100 1 1374 133 133 PRO CA C 65.869 1.500 1 1375 133 133 PRO CB C 31.339 1.500 1 1376 133 133 PRO CG C 29.144 1.500 1 1377 133 133 PRO CD C 49.879 1.500 1 1378 134 134 PHE H H 6.918 0.100 1 1379 134 134 PHE HA H 3.636 0.100 1 1380 134 134 PHE HB2 H 3.366 0.100 2 1381 134 134 PHE HB3 H 2.369 0.100 2 1382 134 134 PHE HD1 H 6.058 0.100 3 1383 134 134 PHE HD2 H 6.058 0.100 3 1384 134 134 PHE HE1 H 7.077 0.100 3 1385 134 134 PHE HE2 H 7.077 0.100 3 1386 134 134 PHE HZ H 6.639 0.100 1 1387 134 134 PHE CA C 60.627 1.500 1 1388 134 134 PHE CB C 40.374 1.500 1 1389 134 134 PHE CD1 C 130.272 1.500 3 1390 134 134 PHE CD2 C 130.272 1.500 3 1391 134 134 PHE CE1 C 131.726 1.500 3 1392 134 134 PHE CE2 C 131.726 1.500 3 1393 134 134 PHE CZ C 129.336 1.500 1 1394 134 134 PHE N N 116.105 1.500 1 1395 135 135 GLU H H 8.759 0.100 1 1396 135 135 GLU HA H 4.045 0.100 1 1397 135 135 GLU HB2 H 2.319 0.100 2 1398 135 135 GLU HB3 H 2.319 0.100 2 1399 135 135 GLU HG2 H 2.234 0.100 2 1400 135 135 GLU HG3 H 2.433 0.100 2 1401 135 135 GLU CA C 60.387 1.500 1 1402 135 135 GLU CB C 30.748 1.500 1 1403 135 135 GLU CG C 37.501 1.500 1 1404 135 135 GLU N N 123.165 1.500 1 1405 136 136 ASP H H 9.158 0.100 1 1406 136 136 ASP HA H 4.410 0.100 1 1407 136 136 ASP HB2 H 2.583 0.100 2 1408 136 136 ASP HB3 H 2.583 0.100 2 1409 136 136 ASP CA C 57.562 1.500 1 1410 136 136 ASP CB C 39.544 1.500 1 1411 136 136 ASP N N 118.698 1.500 1 1412 137 137 ALA H H 7.098 0.100 1 1413 137 137 ALA HA H 4.014 0.100 1 1414 137 137 ALA HB H 1.306 0.100 1 1415 137 137 ALA CA C 54.703 1.500 1 1416 137 137 ALA CB C 19.834 1.500 1 1417 137 137 ALA N N 118.668 1.500 1 1418 138 138 SER H H 7.898 0.100 1 1419 138 138 SER HA H 4.050 0.100 1 1420 138 138 SER HB2 H 3.802 0.100 2 1421 138 138 SER HB3 H 3.524 0.100 2 1422 138 138 SER CA C 63.436 1.500 1 1423 138 138 SER CB C 63.445 1.500 1 1424 138 138 SER N N 113.444 1.500 1 1425 139 139 PHE H H 8.145 0.100 1 1426 139 139 PHE HA H 3.849 0.100 1 1427 139 139 PHE HB2 H 2.986 0.100 1 1428 139 139 PHE HB3 H 2.866 0.100 1 1429 139 139 PHE HD1 H 7.414 0.100 3 1430 139 139 PHE HD2 H 7.414 0.100 3 1431 139 139 PHE HE1 H 7.052 0.100 3 1432 139 139 PHE HE2 H 7.052 0.100 3 1433 139 139 PHE HZ H 7.114 0.100 1 1434 139 139 PHE CA C 61.237 1.500 1 1435 139 139 PHE CB C 39.309 1.500 1 1436 139 139 PHE CD1 C 131.578 1.500 3 1437 139 139 PHE CD2 C 131.578 1.500 3 1438 139 139 PHE CE1 C 130.955 1.500 3 1439 139 139 PHE CE2 C 130.955 1.500 3 1440 139 139 PHE CZ C 129.511 1.500 1 1441 139 139 PHE N N 114.448 1.500 1 1442 140 140 ALA H H 7.054 0.100 1 1443 140 140 ALA HA H 4.399 0.100 1 1444 140 140 ALA HB H 1.410 0.100 1 1445 140 140 ALA CA C 52.134 1.500 1 1446 140 140 ALA CB C 19.820 1.500 1 1447 140 140 ALA N N 119.432 1.500 1 1448 141 141 LEU H H 6.952 0.100 1 1449 141 141 LEU HA H 4.214 0.100 1 1450 141 141 LEU HB2 H 1.725 0.100 2 1451 141 141 LEU HB3 H 1.516 0.100 2 1452 141 141 LEU HG H 2.050 0.100 1 1453 141 141 LEU HD1 H 0.768 0.100 1 1454 141 141 LEU HD2 H 0.535 0.100 1 1455 141 141 LEU CA C 54.761 1.500 1 1456 141 141 LEU CB C 43.105 1.500 1 1457 141 141 LEU CG C 25.617 1.500 1 1458 141 141 LEU CD1 C 26.263 1.500 1 1459 141 141 LEU CD2 C 22.375 1.500 1 1460 141 141 LEU N N 120.783 1.500 1 1461 142 142 ARG H H 8.919 0.100 1 1462 142 142 ARG HA H 4.357 0.100 1 1463 142 142 ARG HB2 H 1.863 0.100 2 1464 142 142 ARG HB3 H 1.560 0.100 2 1465 142 142 ARG HG2 H 1.721 0.100 2 1466 142 142 ARG HG3 H 1.721 0.100 2 1467 142 142 ARG HD2 H 3.185 0.100 2 1468 142 142 ARG HD3 H 3.185 0.100 2 1469 142 142 ARG CA C 55.184 1.500 1 1470 142 142 ARG CB C 30.906 1.500 1 1471 142 142 ARG CG C 27.962 1.500 1 1472 142 142 ARG CD C 43.209 1.500 1 1473 142 142 ARG N N 122.051 1.500 1 1474 143 143 THR H H 8.491 0.100 1 1475 143 143 THR HA H 3.205 0.100 1 1476 143 143 THR HB H 3.858 0.100 1 1477 143 143 THR HG2 H 0.977 0.100 1 1478 143 143 THR CA C 66.359 1.500 1 1479 143 143 THR CB C 67.564 1.500 1 1480 143 143 THR CG2 C 22.843 1.500 1 1481 143 143 THR N N 116.864 1.500 1 1482 144 144 GLY H H 8.933 0.100 1 1483 144 144 GLY HA2 H 3.632 0.100 2 1484 144 144 GLY HA3 H 4.209 0.100 2 1485 144 144 GLY CA C 45.121 1.500 1 1486 144 144 GLY N N 115.601 1.500 1 1487 145 145 GLU H H 8.182 0.100 1 1488 145 145 GLU HA H 4.348 0.100 1 1489 145 145 GLU HB2 H 2.239 0.100 1 1490 145 145 GLU HB3 H 1.934 0.100 1 1491 145 145 GLU HG2 H 2.263 0.100 2 1492 145 145 GLU HG3 H 2.263 0.100 2 1493 145 145 GLU CA C 55.600 1.500 1 1494 145 145 GLU CB C 32.380 1.500 1 1495 145 145 GLU CG C 36.892 1.500 1 1496 145 145 GLU N N 121.998 1.500 1 1497 146 146 MET H H 8.215 0.100 1 1498 146 146 MET HA H 5.658 0.100 1 1499 146 146 MET HB2 H 2.166 0.100 2 1500 146 146 MET HB3 H 1.790 0.100 2 1501 146 146 MET HG2 H 2.323 0.100 1 1502 146 146 MET HG3 H 3.066 0.100 1 1503 146 146 MET HE H 2.225 0.100 1 1504 146 146 MET CA C 52.985 1.500 1 1505 146 146 MET CB C 37.716 1.500 1 1506 146 146 MET CG C 31.674 1.500 1 1507 146 146 MET CE C 17.111 1.500 1 1508 146 146 MET N N 122.855 1.500 1 1509 147 147 SER H H 9.681 0.100 1 1510 147 147 SER HA H 4.317 0.100 1 1511 147 147 SER HB2 H 3.680 0.100 2 1512 147 147 SER HB3 H 3.680 0.100 2 1513 147 147 SER CA C 59.243 1.500 1 1514 147 147 SER CB C 65.098 1.500 1 1515 147 147 SER N N 123.208 1.500 1 1516 148 148 GLY H H 7.735 0.100 1 1517 148 148 GLY HA2 H 3.885 0.100 2 1518 148 148 GLY HA3 H 4.472 0.100 2 1519 148 148 GLY CA C 44.506 1.500 1 1520 148 148 GLY N N 103.223 1.500 1 1521 149 149 PRO HA H 4.327 0.100 1 1522 149 149 PRO HB2 H 1.741 0.100 1 1523 149 149 PRO HB3 H 1.655 0.100 1 1524 149 149 PRO HG2 H 2.268 0.100 1 1525 149 149 PRO HG3 H 1.782 0.100 1 1526 149 149 PRO HD2 H 3.542 0.100 2 1527 149 149 PRO HD3 H 3.606 0.100 2 1528 149 149 PRO CA C 63.746 1.500 1 1529 149 149 PRO CB C 31.534 1.500 1 1530 149 149 PRO CG C 28.109 1.500 1 1531 149 149 PRO CD C 49.111 1.500 1 1532 150 150 VAL H H 9.208 0.100 1 1533 150 150 VAL HA H 4.327 0.100 1 1534 150 150 VAL HB H 1.748 0.100 1 1535 150 150 VAL HG1 H 0.689 0.100 1 1536 150 150 VAL HG2 H 0.903 0.100 1 1537 150 150 VAL CA C 61.695 1.500 1 1538 150 150 VAL CB C 35.230 1.500 1 1539 150 150 VAL CG1 C 20.590 1.500 1 1540 150 150 VAL CG2 C 21.221 1.500 1 1541 150 150 VAL N N 127.292 1.500 1 1542 151 151 PHE H H 9.121 0.100 1 1543 151 151 PHE HA H 5.078 0.100 1 1544 151 151 PHE HB2 H 3.099 0.100 2 1545 151 151 PHE HB3 H 3.099 0.100 2 1546 151 151 PHE HD1 H 7.425 0.100 3 1547 151 151 PHE HD2 H 7.425 0.100 3 1548 151 151 PHE HE1 H 7.221 0.100 3 1549 151 151 PHE HE2 H 7.221 0.100 3 1550 151 151 PHE HZ H 7.327 0.100 1 1551 151 151 PHE CA C 58.006 1.500 1 1552 151 151 PHE CB C 39.849 1.500 1 1553 151 151 PHE CD1 C 132.451 1.500 3 1554 151 151 PHE CD2 C 132.451 1.500 3 1555 151 151 PHE CE1 C 130.974 1.500 3 1556 151 151 PHE CE2 C 130.974 1.500 3 1557 151 151 PHE CZ C 131.301 1.500 1 1558 151 151 PHE N N 128.028 1.500 1 1559 152 152 THR H H 9.062 0.100 1 1560 152 152 THR HA H 4.972 0.100 1 1561 152 152 THR HG2 H 1.218 0.100 1 1562 152 152 THR CA C 60.612 1.500 1 1563 152 152 THR CB C 72.433 1.500 1 1564 152 152 THR CG2 C 21.390 1.500 1 1565 152 152 THR N N 112.580 1.500 1 1566 153 153 ASP H H 8.988 0.100 1 1567 153 153 ASP HA H 4.657 0.100 1 1568 153 153 ASP HB2 H 2.811 0.100 2 1569 153 153 ASP HB3 H 2.811 0.100 2 1570 153 153 ASP CA C 56.366 1.500 1 1571 153 153 ASP CB C 40.584 1.500 1 1572 153 153 ASP N N 117.714 1.500 1 1573 154 154 SER H H 9.077 0.100 1 1574 154 154 SER HA H 4.683 0.100 1 1575 154 154 SER HB2 H 3.927 0.100 1 1576 154 154 SER HB3 H 3.911 0.100 1 1577 154 154 SER CA C 61.384 1.500 1 1578 154 154 SER CB C 63.620 1.500 1 1579 154 154 SER N N 114.795 1.500 1 1580 155 155 GLY H H 7.675 0.100 1 1581 155 155 GLY HA2 H 3.950 0.100 1 1582 155 155 GLY HA3 H 3.464 0.100 1 1583 155 155 GLY CA C 45.408 1.500 1 1584 155 155 GLY N N 110.331 1.500 1 1585 156 156 ILE H H 8.302 0.100 1 1586 156 156 ILE HA H 5.001 0.100 1 1587 156 156 ILE HB H 1.477 0.100 1 1588 156 156 ILE HG12 H 1.610 0.100 2 1589 156 156 ILE HG13 H 0.811 0.100 2 1590 156 156 ILE HG2 H 0.426 0.100 1 1591 156 156 ILE HD1 H 0.743 0.100 1 1592 156 156 ILE CA C 60.099 1.500 1 1593 156 156 ILE CB C 39.301 1.500 1 1594 156 156 ILE CG1 C 26.768 1.500 1 1595 156 156 ILE CG2 C 18.290 1.500 1 1596 156 156 ILE CD1 C 15.527 1.500 1 1597 156 156 ILE N N 123.238 1.500 1 1598 157 157 HIS H H 9.911 0.100 1 1599 157 157 HIS HA H 5.975 0.100 1 1600 157 157 HIS HB2 H 3.119 0.100 2 1601 157 157 HIS HB3 H 2.934 0.100 2 1602 157 157 HIS HD2 H 7.187 0.100 1 1603 157 157 HIS HE1 H 7.885 0.100 1 1604 157 157 HIS CA C 54.001 1.500 1 1605 157 157 HIS CB C 32.179 1.500 1 1606 157 157 HIS CD2 C 130.309 1.500 1 1607 157 157 HIS CE1 C 136.401 1.500 1 1608 157 157 HIS N N 124.534 1.500 1 1609 158 158 ILE H H 8.562 0.100 1 1610 158 158 ILE HA H 4.169 0.100 1 1611 158 158 ILE HB H 1.759 0.100 1 1612 158 158 ILE HG12 H 1.866 0.100 2 1613 158 158 ILE HG13 H 0.954 0.100 2 1614 158 158 ILE HG2 H 1.051 0.100 1 1615 158 158 ILE HD1 H 1.003 0.100 1 1616 158 158 ILE CA C 62.461 1.500 1 1617 158 158 ILE CB C 41.598 1.500 1 1618 158 158 ILE CG1 C 26.853 1.500 1 1619 158 158 ILE CG2 C 19.319 1.500 1 1620 158 158 ILE CD1 C 14.937 1.500 1 1621 158 158 ILE N N 116.077 1.500 1 1622 159 159 ILE H H 8.863 0.100 1 1623 159 159 ILE HA H 4.696 0.100 1 1624 159 159 ILE HB H 1.276 0.100 1 1625 159 159 ILE HG12 H 0.510 0.100 2 1626 159 159 ILE HG13 H 1.345 0.100 2 1627 159 159 ILE HG2 H 0.712 0.100 1 1628 159 159 ILE HD1 H -0.083 0.100 1 1629 159 159 ILE CA C 61.090 1.500 1 1630 159 159 ILE CB C 41.827 1.500 1 1631 159 159 ILE CG1 C 27.621 1.500 1 1632 159 159 ILE CG2 C 17.876 1.500 1 1633 159 159 ILE CD1 C 14.873 1.500 1 1634 159 159 ILE N N 125.906 1.500 1 1635 160 160 LEU H H 8.809 0.100 1 1636 160 160 LEU HA H 4.831 0.100 1 1637 160 160 LEU HB2 H 0.786 0.100 1 1638 160 160 LEU HB3 H -0.012 0.100 1 1639 160 160 LEU HG H 0.847 0.100 1 1640 160 160 LEU HD1 H 0.442 0.100 1 1641 160 160 LEU HD2 H 0.315 0.100 1 1642 160 160 LEU CA C 53.070 1.500 1 1643 160 160 LEU CB C 45.512 1.500 1 1644 160 160 LEU CG C 26.928 1.500 1 1645 160 160 LEU CD1 C 22.685 1.500 1 1646 160 160 LEU CD2 C 25.798 1.500 1 1647 160 160 LEU N N 128.794 1.500 1 1648 161 161 ARG H H 8.087 0.100 1 1649 161 161 ARG HA H 5.100 0.100 1 1650 161 161 ARG HB2 H 1.914 0.100 2 1651 161 161 ARG HB3 H 2.046 0.100 2 1652 161 161 ARG HG2 H 1.586 0.100 2 1653 161 161 ARG HG3 H 1.137 0.100 2 1654 161 161 ARG HD2 H 2.854 0.100 2 1655 161 161 ARG HD3 H 2.396 0.100 2 1656 161 161 ARG CA C 56.601 1.500 1 1657 161 161 ARG CB C 30.112 1.500 1 1658 161 161 ARG CD C 43.520 1.500 1 1659 161 161 ARG N N 127.443 1.500 1 1660 162 162 THR H H 9.071 0.100 1 1661 162 162 THR HA H 4.377 0.100 1 1662 162 162 THR HB H 4.166 0.100 1 1663 162 162 THR HG2 H 1.005 0.100 1 1664 162 162 THR CA C 62.140 1.500 1 1665 162 162 THR CB C 69.478 1.500 1 1666 162 162 THR CG2 C 21.857 1.500 1 1667 162 162 THR N N 120.963 1.500 1 1668 163 163 GLU H H 7.964 0.100 1 1669 163 163 GLU HA H 4.083 0.100 1 1670 163 163 GLU HB2 H 1.730 0.100 2 1671 163 163 GLU HB3 H 1.934 0.100 2 1672 163 163 GLU HG2 H 2.138 0.100 2 1673 163 163 GLU HG3 H 2.342 0.100 2 1674 163 163 GLU CA C 58.312 1.500 1 1675 163 163 GLU CB C 33.528 1.500 1 1676 163 163 GLU CG C 36.800 1.500 1 1677 163 163 GLU N N 126.204 1.500 1 stop_ save_