data_25629 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Backbone 1H, 13C and 15N Chemical Shift Assignments for G56C_T163C mutant of Adenylate Kinase at reduced condition ; _BMRB_accession_number 25629 _BMRB_flat_file_name bmr25629.str _Entry_type original _Submission_date 2015-05-18 _Accession_date 2015-05-19 _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 Kovermann Michael . . 2 Wolf-Watz Magnus . . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 203 "13C chemical shifts" 410 "15N chemical shifts" 203 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2017-12-14 update BMRB 'update entry citation' 2017-05-19 original author 'original release' stop_ loop_ _Related_BMRB_accession_number _Relationship 25628 'Backbone 1H, 13C and 15N Chemical Shift Assignments for G56C_T163C mutant of Adenylate Kinase at oxidized condition' stop_ _Original_release_date 2015-05-19 save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full . _Citation_title ; Structural basis for ligand binding to an enzyme by a conformational selection pathway ; _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 28559350 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Kovermann Michael . . 2 Grundstrom Christin . . 3 Sauer-Eriksson 'A Elisabeth' E. . 4 Sauer Uwe H. . 5 Wolf-Watz Magnus . . stop_ _Journal_abbreviation 'Proc. Natl. Acad. Sci. U.S.A.' _Journal_name_full 'Proceedings of the National Academy of Sciences of the United States of America' _Journal_volume 114 _Journal_issue 24 _Journal_ISSN 1091-6490 _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 6298 _Page_last 6303 _Year 2017 _Details . save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name Kinase _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label 'Adenylate Kinase G56C_T163C' $Adenylate_Kinase_G56C_T163C stop_ _System_molecular_weight 23300 _System_physical_state native _System_oligomer_state ? _System_paramagnetic no _System_thiol_state . loop_ _Biological_function 'Energy balance in the cell' stop_ _Database_query_date . _Details . save_ ######################## # Monomeric polymers # ######################## save_Adenylate_Kinase_G56C_T163C _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common Adenylate_Kinase_G56C_T163C _Molecular_mass . _Mol_thiol_state 'all free' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 214 _Mol_residue_sequence ; MRIILLGAPGAGKGTQAQFI MEKYGIPQISTGDMLRAAVK SGSELGKQAKDIMDACKLVT DELVIALVKERIAQEDCRNG FLLDGFPRTIPQADAMKEAG INVDYVLEFDVPDELIVDRI VGRRVHAPSGRVYHVKFNPP KVEGKDDVTGEELTTRKDDQ EECVRKRLVEYHQMTAPLIG YYSKEAEAGNTKYAKVDGTK PVAEVRADLEKILG ; loop_ _Residue_seq_code _Residue_author_seq_code _Residue_label 1 1 MET 2 2 ARG 3 3 ILE 4 4 ILE 5 5 LEU 6 6 LEU 7 7 GLY 8 8 ALA 9 9 PRO 10 10 GLY 11 11 ALA 12 12 GLY 13 13 LYS 14 14 GLY 15 15 THR 16 16 GLN 17 17 ALA 18 18 GLN 19 19 PHE 20 20 ILE 21 21 MET 22 22 GLU 23 23 LYS 24 24 TYR 25 25 GLY 26 26 ILE 27 27 PRO 28 28 GLN 29 29 ILE 30 30 SER 31 31 THR 32 32 GLY 33 33 ASP 34 34 MET 35 35 LEU 36 36 ARG 37 37 ALA 38 38 ALA 39 39 VAL 40 40 LYS 41 41 SER 42 42 GLY 43 43 SER 44 44 GLU 45 45 LEU 46 46 GLY 47 47 LYS 48 48 GLN 49 49 ALA 50 50 LYS 51 51 ASP 52 52 ILE 53 53 MET 54 54 ASP 55 55 ALA 56 56 CYS 57 57 LYS 58 58 LEU 59 59 VAL 60 60 THR 61 61 ASP 62 62 GLU 63 63 LEU 64 64 VAL 65 65 ILE 66 66 ALA 67 67 LEU 68 68 VAL 69 69 LYS 70 70 GLU 71 71 ARG 72 72 ILE 73 73 ALA 74 74 GLN 75 75 GLU 76 76 ASP 77 77 CYS 78 78 ARG 79 79 ASN 80 80 GLY 81 81 PHE 82 82 LEU 83 83 LEU 84 84 ASP 85 85 GLY 86 86 PHE 87 87 PRO 88 88 ARG 89 89 THR 90 90 ILE 91 91 PRO 92 92 GLN 93 93 ALA 94 94 ASP 95 95 ALA 96 96 MET 97 97 LYS 98 98 GLU 99 99 ALA 100 100 GLY 101 101 ILE 102 102 ASN 103 103 VAL 104 104 ASP 105 105 TYR 106 106 VAL 107 107 LEU 108 108 GLU 109 109 PHE 110 110 ASP 111 111 VAL 112 112 PRO 113 113 ASP 114 114 GLU 115 115 LEU 116 116 ILE 117 117 VAL 118 118 ASP 119 119 ARG 120 120 ILE 121 121 VAL 122 122 GLY 123 123 ARG 124 124 ARG 125 125 VAL 126 126 HIS 127 127 ALA 128 128 PRO 129 129 SER 130 130 GLY 131 131 ARG 132 132 VAL 133 133 TYR 134 134 HIS 135 135 VAL 136 136 LYS 137 137 PHE 138 138 ASN 139 139 PRO 140 140 PRO 141 141 LYS 142 142 VAL 143 143 GLU 144 144 GLY 145 145 LYS 146 146 ASP 147 147 ASP 148 148 VAL 149 149 THR 150 150 GLY 151 151 GLU 152 152 GLU 153 153 LEU 154 154 THR 155 155 THR 156 156 ARG 157 157 LYS 158 158 ASP 159 159 ASP 160 160 GLN 161 161 GLU 162 162 GLU 163 163 CYS 164 164 VAL 165 165 ARG 166 166 LYS 167 167 ARG 168 168 LEU 169 169 VAL 170 170 GLU 171 171 TYR 172 172 HIS 173 173 GLN 174 174 MET 175 175 THR 176 176 ALA 177 177 PRO 178 178 LEU 179 179 ILE 180 180 GLY 181 181 TYR 182 182 TYR 183 183 SER 184 184 LYS 185 185 GLU 186 186 ALA 187 187 GLU 188 188 ALA 189 189 GLY 190 190 ASN 191 191 THR 192 192 LYS 193 193 TYR 194 194 ALA 195 195 LYS 196 196 VAL 197 197 ASP 198 198 GLY 199 199 THR 200 200 LYS 201 201 PRO 202 202 VAL 203 203 ALA 204 204 GLU 205 205 VAL 206 206 ARG 207 207 ALA 208 208 ASP 209 209 LEU 210 210 GLU 211 211 LYS 212 212 ILE 213 213 LEU 214 214 GLY 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 $Adenylate_Kinase_G56C_T163C 'E. coli' 562 Bacteria . Escherichia coli 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 $Adenylate_Kinase_G56C_T163C 'recombinant technology' . Escherichia coli . 'pEAK-91 vector' 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 $Adenylate_Kinase_G56C_T163C 0.4 mM '[U-100% 13C; U-100% 15N]' 'sodium chloride' 50 mM 'natural abundance' MES 30 mM 'natural abundance' TCEP 2 mM 'natural abundance' H2O 95 % 'natural abundance' D2O 5 % [U-2H] stop_ save_ ############################ # Computer software used # ############################ save_TOPSPIN _Saveframe_category software _Name TOPSPIN _Version 3.2 loop_ _Vendor _Address _Electronic_address 'Bruker Biospin' . . 'Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax' . . 'Johnson, One Moon Scientific' . . stop_ loop_ _Task collection 'data analysis' processing stop_ _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model Avance _Field_strength 850 _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_3D_HNCO_2 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCO' _Sample_label $sample_1 save_ save_3D_HNCA_3 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCA' _Sample_label $sample_1 save_ save_3D_HN(CO)CA_4 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HN(CO)CA' _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 6 . 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 DSS C 13 'methyl protons' ppm 0 na indirect . . . 0.251449530 DSS H 1 'methyl protons' ppm 0 na direct . . . 1 DSS N 15 'methyl protons' ppm 0 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_ _Software_label $TOPSPIN stop_ loop_ _Experiment_label '2D 1H-15N HSQC' '3D HNCO' '3D HNCA' '3D HN(CO)CA' 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 'Adenylate Kinase G56C_T163C' _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 CA C 54.937 0.03 . 2 2 2 ARG H H 9.62689 0.005 . 3 2 2 ARG C C 170.666 0.03 . 4 2 2 ARG CA C 54.783 0.03 . 5 2 2 ARG N N 128.725 0.02 . 6 3 3 ILE H H 8.44966 0.005 . 7 3 3 ILE C C 175.587 0.03 . 8 3 3 ILE CA C 59.244 0.03 . 9 3 3 ILE N N 125.1 0.02 . 10 4 4 ILE H H 8.49401 0.005 . 11 4 4 ILE C C 174.737 0.03 . 12 4 4 ILE CA C 61.454 0.03 . 13 4 4 ILE N N 126.504 0.02 . 14 5 5 LEU H H 7.99438 0.005 . 15 5 5 LEU C C 173.357 0.03 . 16 5 5 LEU CA C 53.22 0.03 . 17 5 5 LEU N N 129.312 0.02 . 18 6 6 LEU H H 9.3263 0.005 . 19 6 6 LEU C C 174.881 0.03 . 20 6 6 LEU CA C 53.226 0.03 . 21 6 6 LEU N N 129.327 0.02 . 22 7 7 GLY H H 8.00273 0.005 . 23 7 7 GLY C C 175.765 0.03 . 24 7 7 GLY CA C 46.279 0.03 . 25 7 7 GLY N N 108.886 0.02 . 26 8 8 ALA H H 9.11319 0.005 . 27 8 8 ALA C C 170.899 0.03 . 28 8 8 ALA CA C 50.036 0.03 . 29 8 8 ALA N N 127.204 0.02 . 30 9 9 PRO CA C 63.427 0.03 . 31 10 10 GLY H H 8.21054 0.005 . 32 10 10 GLY C C 176.781 0.03 . 33 10 10 GLY CA C 45.392 0.03 . 34 10 10 GLY N N 112.085 0.02 . 35 11 11 ALA H H 8.05039 0.005 . 36 11 11 ALA C C 175.13 0.03 . 37 11 11 ALA CA C 53.881 0.03 . 38 11 11 ALA N N 121.802 0.02 . 39 12 12 GLY H H 8.26266 0.005 . 40 12 12 GLY C C 177.477 0.03 . 41 12 12 GLY CA C 45.637 0.03 . 42 12 12 GLY N N 105.28 0.02 . 43 13 13 LYS H H 7.97868 0.005 . 44 13 13 LYS C C 177.017 0.03 . 45 13 13 LYS CA C 58.141 0.03 . 46 13 13 LYS N N 121.241 0.02 . 47 14 14 GLY H H 8.598 0.005 . 48 14 14 GLY C C 176.91 0.03 . 49 14 14 GLY CA C 46.596 0.03 . 50 14 14 GLY N N 110.661 0.02 . 51 15 15 THR H H 7.34088 0.005 . 52 15 15 THR C C 176.18 0.03 . 53 15 15 THR CA C 65.449 0.03 . 54 15 15 THR N N 117.131 0.02 . 55 16 16 GLN H H 6.87223 0.005 . 56 16 16 GLN C C 176.649 0.03 . 57 16 16 GLN CA C 55.41 0.03 . 58 16 16 GLN N N 118.071 0.02 . 59 17 17 ALA H H 7.92825 0.005 . 60 17 17 ALA C C 178.036 0.03 . 61 17 17 ALA CA C 55.606 0.03 . 62 17 17 ALA N N 122.996 0.02 . 63 18 18 GLN H H 7.55059 0.005 . 64 18 18 GLN C C 178.462 0.03 . 65 18 18 GLN CA C 58.881 0.03 . 66 18 18 GLN N N 115.374 0.02 . 67 19 19 PHE H H 6.86374 0.005 . 68 19 19 PHE C C 177.744 0.03 . 69 19 19 PHE CA C 60.103 0.03 . 70 19 19 PHE N N 119.232 0.02 . 71 20 20 ILE H H 7.82726 0.005 . 72 20 20 ILE C C 176.765 0.03 . 73 20 20 ILE CA C 65.317 0.03 . 74 20 20 ILE N N 120.629 0.02 . 75 21 21 MET H H 8.28561 0.005 . 76 21 21 MET C C 177.456 0.03 . 77 21 21 MET CA C 59.719 0.03 . 78 21 21 MET N N 118.744 0.02 . 79 22 22 GLU H H 7.71355 0.005 . 80 22 22 GLU C C 179.348 0.03 . 81 22 22 GLU CA C 58.468 0.03 . 82 22 22 GLU N N 117.827 0.02 . 83 23 23 LYS H H 8.14544 0.005 . 84 23 23 LYS C C 178.51 0.03 . 85 23 23 LYS CA C 58.526 0.03 . 86 23 23 LYS N N 120.909 0.02 . 87 24 24 TYR H H 7.5698 0.005 . 88 24 24 TYR C C 178.163 0.03 . 89 24 24 TYR CA C 58.505 0.03 . 90 24 24 TYR N N 112.819 0.02 . 91 25 25 GLY H H 7.58163 0.005 . 92 25 25 GLY C C 176.093 0.03 . 93 25 25 GLY CA C 47.656 0.03 . 94 25 25 GLY N N 112.093 0.02 . 95 26 26 ILE H H 7.21298 0.005 . 96 26 26 ILE C C 174.767 0.03 . 97 26 26 ILE CA C 56.941 0.03 . 98 26 26 ILE N N 111.726 0.02 . 99 27 27 PRO CA C 61.727 0.03 . 100 28 28 GLN H H 8.16152 0.005 . 101 28 28 GLN C C 175.044 0.03 . 102 28 28 GLN CA C 54.415 0.03 . 103 28 28 GLN N N 119.471 0.02 . 104 29 29 ILE H H 9.21495 0.005 . 105 29 29 ILE C C 175.471 0.03 . 106 29 29 ILE CA C 59.921 0.03 . 107 29 29 ILE N N 127.572 0.02 . 108 30 30 SER H H 8.18436 0.005 . 109 30 30 SER C C 173.696 0.03 . 110 30 30 SER CA C 55.71 0.03 . 111 30 30 SER N N 120.637 0.02 . 112 31 31 THR H H 9.15 0.005 . 113 31 31 THR C C 175.737 0.03 . 114 31 31 THR CA C 66.629 0.03 . 115 31 31 THR N N 118.689 0.02 . 116 32 32 GLY H H 8.58037 0.005 . 117 32 32 GLY C C 176.812 0.03 . 118 32 32 GLY CA C 47.476 0.03 . 119 32 32 GLY N N 110.423 0.02 . 120 33 33 ASP H H 7.34331 0.005 . 121 33 33 ASP C C 176.474 0.03 . 122 33 33 ASP CA C 56.875 0.03 . 123 33 33 ASP N N 121.691 0.02 . 124 34 34 MET H H 7.97092 0.005 . 125 34 34 MET C C 178.908 0.03 . 126 34 34 MET CA C 58.963 0.03 . 127 34 34 MET N N 120.662 0.02 . 128 35 35 LEU H H 8.25152 0.005 . 129 35 35 LEU C C 179.153 0.03 . 130 35 35 LEU CA C 58.394 0.03 . 131 35 35 LEU N N 121.676 0.02 . 132 36 36 ARG H H 7.55801 0.005 . 133 36 36 ARG C C 177.932 0.03 . 134 36 36 ARG CA C 59.608 0.03 . 135 36 36 ARG N N 118.064 0.02 . 136 37 37 ALA H H 7.87098 0.005 . 137 37 37 ALA C C 178.956 0.03 . 138 37 37 ALA CA C 54.453 0.03 . 139 37 37 ALA N N 120.729 0.02 . 140 38 38 ALA H H 7.90556 0.005 . 141 38 38 ALA C C 180.223 0.03 . 142 38 38 ALA CA C 54.828 0.03 . 143 38 38 ALA N N 122.276 0.02 . 144 39 39 VAL H H 7.85402 0.005 . 145 39 39 VAL C C 180.663 0.03 . 146 39 39 VAL CA C 65.717 0.03 . 147 39 39 VAL N N 117.132 0.02 . 148 40 40 LYS H H 7.552 0.005 . 149 40 40 LYS C C 178.304 0.03 . 150 40 40 LYS CA C 57.765 0.03 . 151 40 40 LYS N N 119.928 0.02 . 152 41 41 SER H H 7.81381 0.005 . 153 41 41 SER C C 177.714 0.03 . 154 41 41 SER CA C 59.832 0.03 . 155 41 41 SER N N 114.435 0.02 . 156 42 42 GLY H H 7.84106 0.005 . 157 42 42 GLY C C 175.723 0.03 . 158 42 42 GLY CA C 46.036 0.03 . 159 42 42 GLY N N 110.414 0.02 . 160 43 43 SER H H 7.76877 0.005 . 161 43 43 SER C C 174.472 0.03 . 162 43 43 SER CA C 57.522 0.03 . 163 43 43 SER N N 115.93 0.02 . 164 44 44 GLU H H 8.7956 0.005 . 165 44 44 GLU C C 174.568 0.03 . 166 44 44 GLU CA C 59.712 0.03 . 167 44 44 GLU N N 122.979 0.02 . 168 45 45 LEU H H 8.3115 0.005 . 169 45 45 LEU C C 179.493 0.03 . 170 45 45 LEU CA C 57.268 0.03 . 171 45 45 LEU N N 120.005 0.02 . 172 46 46 GLY H H 8.02054 0.005 . 173 46 46 GLY C C 179.006 0.03 . 174 46 46 GLY CA C 47.112 0.03 . 175 46 46 GLY N N 108.699 0.02 . 176 47 47 LYS H H 8.14497 0.005 . 177 47 47 LYS C C 175.587 0.03 . 178 47 47 LYS CA C 59.199 0.03 . 179 47 47 LYS N N 122.512 0.02 . 180 48 48 GLN H H 7.529 0.005 . 181 48 48 GLN C C 178.876 0.03 . 182 48 48 GLN CA C 58.472 0.03 . 183 48 48 GLN N N 119.362 0.02 . 184 49 49 ALA H H 8.11123 0.005 . 185 49 49 ALA CA C 54.795 0.03 . 186 49 49 ALA N N 120.159 0.02 . 187 50 50 LYS H H 8.294 0.005 . 188 50 50 LYS C C 178.242 0.03 . 189 50 50 LYS CA C 59.308 0.03 . 190 50 50 LYS N N 120.202 0.02 . 191 51 51 ASP H H 7.798 0.005 . 192 51 51 ASP C C 177.587 0.03 . 193 51 51 ASP CA C 57.082 0.03 . 194 51 51 ASP N N 119.1 0.02 . 195 52 52 ILE H H 7.51333 0.005 . 196 52 52 ILE C C 179.199 0.03 . 197 52 52 ILE CA C 64.373 0.03 . 198 52 52 ILE N N 121.224 0.02 . 199 53 53 MET H H 8.27 0.005 . 200 53 53 MET C C 177.834 0.03 . 201 53 53 MET CA C 58.914 0.03 . 202 53 53 MET N N 120.172 0.02 . 203 54 54 ASP H H 8.905 0.005 . 204 54 54 ASP C C 180.515 0.03 . 205 54 54 ASP CA C 56.556 0.03 . 206 54 54 ASP N N 122.12 0.02 . 207 55 55 ALA H H 7.30404 0.005 . 208 55 55 ALA C C 177.301 0.03 . 209 55 55 ALA CA C 52.023 0.03 . 210 55 55 ALA N N 120.763 0.02 . 211 56 56 CYS H H 8.06972 0.005 . 212 56 56 CYS C C 176.639 0.03 . 213 56 56 CYS CA C 59.962 0.03 . 214 56 56 CYS N N 114.669 0.02 . 215 57 57 LYS H H 7.65117 0.005 . 216 57 57 LYS C C 174.638 0.03 . 217 57 57 LYS CA C 55.266 0.03 . 218 57 57 LYS N N 118.998 0.02 . 219 58 58 LEU H H 7.73914 0.005 . 220 58 58 LEU C C 175.119 0.03 . 221 58 58 LEU CA C 54.474 0.03 . 222 58 58 LEU N N 120.06 0.02 . 223 59 59 VAL H H 8.10661 0.005 . 224 59 59 VAL C C 177.043 0.03 . 225 59 59 VAL CA C 63.179 0.03 . 226 59 59 VAL N N 122.401 0.02 . 227 60 60 THR H H 7.06366 0.005 . 228 60 60 THR C C 175.837 0.03 . 229 60 60 THR CA C 60.667 0.03 . 230 60 60 THR N N 117.549 0.02 . 231 61 61 ASP H H 8.79512 0.005 . 232 61 61 ASP C C 175 0.03 . 233 61 61 ASP CA C 57.592 0.03 . 234 61 61 ASP N N 122.503 0.02 . 235 62 62 GLU H H 8.57912 0.005 . 236 62 62 GLU C C 177.858 0.03 . 237 62 62 GLU CA C 59.979 0.03 . 238 62 62 GLU N N 117.713 0.02 . 239 63 63 LEU H H 7.38508 0.005 . 240 63 63 LEU C C 179.002 0.03 . 241 63 63 LEU CA C 57.648 0.03 . 242 63 63 LEU N N 122.735 0.02 . 243 64 64 VAL H H 7.78926 0.005 . 244 64 64 VAL C C 178.184 0.03 . 245 64 64 VAL CA C 67.456 0.03 . 246 64 64 VAL N N 118.655 0.02 . 247 65 65 ILE H H 8.18505 0.005 . 248 65 65 ILE C C 177.581 0.03 . 249 65 65 ILE CA C 63.135 0.03 . 250 65 65 ILE N N 119.322 0.02 . 251 66 66 ALA H H 7.44554 0.005 . 252 66 66 ALA C C 177.033 0.03 . 253 66 66 ALA CA C 55.32 0.03 . 254 66 66 ALA N N 122.986 0.02 . 255 67 67 LEU H H 8.16383 0.005 . 256 67 67 LEU C C 181.128 0.03 . 257 67 67 LEU CA C 57.827 0.03 . 258 67 67 LEU N N 119.967 0.02 . 259 68 68 VAL H H 8.40041 0.005 . 260 68 68 VAL C C 179.811 0.03 . 261 68 68 VAL CA C 66.706 0.03 . 262 68 68 VAL N N 123.408 0.02 . 263 69 69 LYS H H 8.2245 0.005 . 264 69 69 LYS C C 177.049 0.03 . 265 69 69 LYS CA C 60.139 0.03 . 266 69 69 LYS N N 119.104 0.02 . 267 70 70 GLU H H 7.356 0.005 . 268 70 70 GLU C C 178.796 0.03 . 269 70 70 GLU CA C 58.997 0.03 . 270 70 70 GLU N N 117.594 0.02 . 271 71 71 ARG H H 8.062 0.005 . 272 71 71 ARG C C 178.686 0.03 . 273 71 71 ARG CA C 57.585 0.03 . 274 71 71 ARG N N 121.681 0.02 . 275 72 72 ILE H H 8.08437 0.005 . 276 72 72 ILE C C 179.817 0.03 . 277 72 72 ILE CA C 62.934 0.03 . 278 72 72 ILE N N 111.071 0.02 . 279 73 73 ALA H H 6.93306 0.005 . 280 73 73 ALA C C 175.946 0.03 . 281 73 73 ALA CA C 51.777 0.03 . 282 73 73 ALA N N 122.867 0.02 . 283 74 74 GLN H H 7.13811 0.005 . 284 74 74 GLN C C 178.286 0.03 . 285 74 74 GLN CA C 55.897 0.03 . 286 74 74 GLN N N 117.233 0.02 . 287 75 75 GLU H H 8.87789 0.005 . 288 75 75 GLU C C 178.433 0.03 . 289 75 75 GLU CA C 59.523 0.03 . 290 75 75 GLU N N 122.75 0.02 . 291 76 76 ASP H H 8.371 0.005 . 292 76 76 ASP C C 177.736 0.03 . 293 76 76 ASP CA C 55.339 0.03 . 294 76 76 ASP N N 117.586 0.02 . 295 77 77 CYS H H 7.62146 0.005 . 296 77 77 CYS C C 177.947 0.03 . 297 77 77 CYS CA C 59.826 0.03 . 298 77 77 CYS N N 118.628 0.02 . 299 78 78 ARG H H 7.58442 0.005 . 300 78 78 ARG C C 176.643 0.03 . 301 78 78 ARG CA C 59.74 0.03 . 302 78 78 ARG N N 123.218 0.02 . 303 79 79 ASN H H 8.84757 0.005 . 304 79 79 ASN C C 177.59 0.03 . 305 79 79 ASN CA C 52.657 0.03 . 306 79 79 ASN N N 115.48 0.02 . 307 80 80 GLY H H 7.62178 0.005 . 308 80 80 GLY C C 173.826 0.03 . 309 80 80 GLY CA C 43.633 0.03 . 310 80 80 GLY N N 109.619 0.02 . 311 81 81 PHE H H 7.22728 0.005 . 312 81 81 PHE C C 171.366 0.03 . 313 81 81 PHE CA C 57.077 0.03 . 314 81 81 PHE N N 108.795 0.02 . 315 82 82 LEU H H 8.74619 0.005 . 316 82 82 LEU C C 172.183 0.03 . 317 82 82 LEU CA C 53.348 0.03 . 318 82 82 LEU N N 122.982 0.02 . 319 83 83 LEU H H 9.38201 0.005 . 320 83 83 LEU C C 175 0.03 . 321 83 83 LEU CA C 54.806 0.03 . 322 83 83 LEU N N 128.385 0.02 . 323 84 84 ASP H H 8.60307 0.005 . 324 84 84 ASP C C 175.45 0.03 . 325 84 84 ASP CA C 52.955 0.03 . 326 84 84 ASP N N 124.605 0.02 . 327 85 85 GLY H H 8.84991 0.005 . 328 85 85 GLY C C 176.652 0.03 . 329 85 85 GLY CA C 46.325 0.03 . 330 85 85 GLY N N 113.627 0.02 . 331 86 86 PHE H H 7.25575 0.005 . 332 86 86 PHE C C 172.461 0.03 . 333 86 86 PHE CA C 55.716 0.03 . 334 86 86 PHE N N 120.432 0.02 . 335 87 87 PRO CA C 62.011 0.03 . 336 88 88 ARG H H 8.50591 0.005 . 337 88 88 ARG C C 174.669 0.03 . 338 88 88 ARG CA C 56.258 0.03 . 339 88 88 ARG N N 115.114 0.02 . 340 89 89 THR H H 6.99655 0.005 . 341 89 89 THR C C 175.769 0.03 . 342 89 89 THR CA C 58.053 0.03 . 343 89 89 THR N N 107.517 0.02 . 344 90 90 ILE H H 8.91875 0.005 . 345 90 90 ILE C C 173.96 0.03 . 346 90 90 ILE CA C 66.092 0.03 . 347 90 90 ILE N N 122.029 0.02 . 348 91 91 PRO CA C 66.269 0.03 . 349 92 92 GLN H H 7.16045 0.005 . 350 92 92 GLN C C 180.748 0.03 . 351 92 92 GLN CA C 59.054 0.03 . 352 92 92 GLN N N 117.018 0.02 . 353 93 93 ALA H H 7.62702 0.005 . 354 93 93 ALA C C 177.005 0.03 . 355 93 93 ALA CA C 55.425 0.03 . 356 93 93 ALA N N 125.345 0.02 . 357 94 94 ASP H H 8.701 0.005 . 358 94 94 ASP C C 181.332 0.03 . 359 94 94 ASP CA C 56.942 0.03 . 360 94 94 ASP N N 120.045 0.02 . 361 95 95 ALA H H 7.98375 0.005 . 362 95 95 ALA C C 178.762 0.03 . 363 95 95 ALA CA C 54.81 0.03 . 364 95 95 ALA N N 123.552 0.02 . 365 96 96 MET H H 8.122 0.005 . 366 96 96 MET C C 181.465 0.03 . 367 96 96 MET CA C 60.27 0.03 . 368 96 96 MET N N 120.288 0.02 . 369 97 97 LYS H H 7.46867 0.005 . 370 97 97 LYS C C 176.988 0.03 . 371 97 97 LYS CA C 59.874 0.03 . 372 97 97 LYS N N 121.286 0.02 . 373 98 98 GLU H H 8.37929 0.005 . 374 98 98 GLU C C 181.465 0.03 . 375 98 98 GLU CA C 58.801 0.03 . 376 98 98 GLU N N 121.807 0.02 . 377 99 99 ALA H H 7.44751 0.005 . 378 99 99 ALA C C 177.572 0.03 . 379 99 99 ALA CA C 51.875 0.03 . 380 99 99 ALA N N 119.242 0.02 . 381 100 100 GLY H H 7.75385 0.005 . 382 100 100 GLY C C 177.314 0.03 . 383 100 100 GLY CA C 45.705 0.03 . 384 100 100 GLY N N 107.151 0.02 . 385 101 101 ILE H H 7.99635 0.005 . 386 101 101 ILE C C 174.623 0.03 . 387 101 101 ILE CA C 60.607 0.03 . 388 101 101 ILE N N 122.612 0.02 . 389 102 102 ASN H H 7.79086 0.005 . 390 102 102 ASN C C 173.286 0.03 . 391 102 102 ASN CA C 52.804 0.03 . 392 102 102 ASN N N 124.028 0.02 . 393 103 103 VAL H H 8.28613 0.005 . 394 103 103 VAL C C 173.743 0.03 . 395 103 103 VAL CA C 60.373 0.03 . 396 103 103 VAL N N 113.623 0.02 . 397 104 104 ASP H H 8.39874 0.005 . 398 104 104 ASP C C 175.662 0.03 . 399 104 104 ASP CA C 56.767 0.03 . 400 104 104 ASP N N 125.201 0.02 . 401 105 105 TYR H H 7.49566 0.005 . 402 105 105 TYR C C 175.446 0.03 . 403 105 105 TYR CA C 57.059 0.03 . 404 105 105 TYR N N 114.775 0.02 . 405 106 106 VAL H H 8.87421 0.005 . 406 106 106 VAL C C 173.826 0.03 . 407 106 106 VAL CA C 61.992 0.03 . 408 106 106 VAL N N 123.861 0.02 . 409 107 107 LEU H H 8.79313 0.005 . 410 107 107 LEU C C 173.519 0.03 . 411 107 107 LEU CA C 51.504 0.03 . 412 107 107 LEU N N 124.937 0.02 . 413 108 108 GLU H H 8.69897 0.005 . 414 108 108 GLU C C 174.574 0.03 . 415 108 108 GLU CA C 54.113 0.03 . 416 108 108 GLU N N 125.088 0.02 . 417 109 109 PHE H H 9.1665 0.005 . 418 109 109 PHE C C 173.602 0.03 . 419 109 109 PHE CA C 57.997 0.03 . 420 109 109 PHE N N 131.183 0.02 . 421 110 110 ASP H H 8.63111 0.005 . 422 110 110 ASP C C 172.886 0.03 . 423 110 110 ASP CA C 55.043 0.03 . 424 110 110 ASP N N 129.208 0.02 . 425 111 111 VAL H H 7.26635 0.005 . 426 111 111 VAL C C 174.764 0.03 . 427 111 111 VAL CA C 59.334 0.03 . 428 111 111 VAL N N 126.279 0.02 . 429 112 112 PRO CA C 63.176 0.03 . 430 113 113 ASP H H 8.78506 0.005 . 431 113 113 ASP C C 177.283 0.03 . 432 113 113 ASP CA C 57.73 0.03 . 433 113 113 ASP N N 124.508 0.02 . 434 114 114 GLU H H 8.8873 0.005 . 435 114 114 GLU C C 177.859 0.03 . 436 114 114 GLU CA C 59.453 0.03 . 437 114 114 GLU N N 115.026 0.02 . 438 115 115 LEU H H 6.9728 0.005 . 439 115 115 LEU C C 178.656 0.03 . 440 115 115 LEU CA C 57.319 0.03 . 441 115 115 LEU N N 119.577 0.02 . 442 116 116 ILE H H 7.27877 0.005 . 443 116 116 ILE C C 178.99 0.03 . 444 116 116 ILE CA C 66.231 0.03 . 445 116 116 ILE N N 121.322 0.02 . 446 117 117 VAL H H 8.18504 0.005 . 447 117 117 VAL C C 177.932 0.03 . 448 117 117 VAL CA C 67.557 0.03 . 449 117 117 VAL N N 117.588 0.02 . 450 118 118 ASP H H 7.64548 0.005 . 451 118 118 ASP C C 177.587 0.03 . 452 118 118 ASP CA C 57.336 0.03 . 453 118 118 ASP N N 117.593 0.02 . 454 119 119 ARG H H 8.00601 0.005 . 455 119 119 ARG C C 179.579 0.03 . 456 119 119 ARG CA C 59.873 0.03 . 457 119 119 ARG N N 117.411 0.02 . 458 120 120 ILE H H 7.93024 0.005 . 459 120 120 ILE C C 177.461 0.03 . 460 120 120 ILE CA C 64.112 0.03 . 461 120 120 ILE N N 119.57 0.02 . 462 121 121 VAL H H 8.84728 0.005 . 463 121 121 VAL C C 177.701 0.03 . 464 121 121 VAL CA C 64.35 0.03 . 465 121 121 VAL N N 115.964 0.02 . 466 122 122 GLY H H 7.24693 0.005 . 467 122 122 GLY C C 177.953 0.03 . 468 122 122 GLY CA C 44.848 0.03 . 469 122 122 GLY N N 106.226 0.02 . 470 123 123 ARG H H 7.54716 0.005 . 471 123 123 ARG C C 173.011 0.03 . 472 123 123 ARG CA C 57.452 0.03 . 473 123 123 ARG N N 121.175 0.02 . 474 124 124 ARG H H 8.73402 0.005 . 475 124 124 ARG C C 177.835 0.03 . 476 124 124 ARG CA C 53.087 0.03 . 477 124 124 ARG N N 126.149 0.02 . 478 125 125 VAL H H 9.18901 0.005 . 479 125 125 VAL C C 174.66 0.03 . 480 125 125 VAL CA C 59.309 0.03 . 481 125 125 VAL N N 118.763 0.02 . 482 126 126 HIS H H 9.07621 0.005 . 483 126 126 HIS C C 174.776 0.03 . 484 126 126 HIS CA C 55.214 0.03 . 485 126 126 HIS N N 127.331 0.02 . 486 127 127 ALA H H 8.93835 0.005 . 487 127 127 ALA C C 174.06 0.03 . 488 127 127 ALA CA C 56.338 0.03 . 489 127 127 ALA N N 130.139 0.02 . 490 128 128 PRO CA C 65.96 0.03 . 491 129 129 SER H H 6.66107 0.005 . 492 129 129 SER C C 177.318 0.03 . 493 129 129 SER CA C 58.901 0.03 . 494 129 129 SER N N 107.886 0.02 . 495 130 130 GLY H H 8.47887 0.005 . 496 130 130 GLY C C 176.84 0.03 . 497 130 130 GLY CA C 45.276 0.03 . 498 130 130 GLY N N 113.609 0.02 . 499 131 131 ARG H H 8.33883 0.005 . 500 131 131 ARG C C 174.423 0.03 . 501 131 131 ARG CA C 59.325 0.03 . 502 131 131 ARG N N 122.641 0.02 . 503 132 132 VAL H H 7.80146 0.005 . 504 132 132 VAL C C 175.06 0.03 . 505 132 132 VAL CA C 61.157 0.03 . 506 132 132 VAL N N 120.447 0.02 . 507 133 133 TYR H H 9.10606 0.005 . 508 133 133 TYR C C 177.827 0.03 . 509 133 133 TYR CA C 56.041 0.03 . 510 133 133 TYR N N 125.08 0.02 . 511 134 134 HIS H H 8.2846 0.005 . 512 134 134 HIS C C 174.524 0.03 . 513 134 134 HIS CA C 57.203 0.03 . 514 134 134 HIS N N 121.308 0.02 . 515 135 135 VAL H H 8.04482 0.005 . 516 135 135 VAL C C 177.434 0.03 . 517 135 135 VAL CA C 65.782 0.03 . 518 135 135 VAL N N 121.249 0.02 . 519 136 136 LYS H H 9.40945 0.005 . 520 136 136 LYS C C 175.262 0.03 . 521 136 136 LYS CA C 57.484 0.03 . 522 136 136 LYS N N 120.409 0.02 . 523 137 137 PHE H H 8.09375 0.005 . 524 137 137 PHE C C 178.215 0.03 . 525 137 137 PHE CA C 58.517 0.03 . 526 137 137 PHE N N 117.362 0.02 . 527 138 138 ASN H H 8.47815 0.005 . 528 138 138 ASN C C 176.493 0.03 . 529 138 138 ASN CA C 52.693 0.03 . 530 138 138 ASN N N 114.666 0.02 . 531 140 140 PRO CA C 62.209 0.03 . 532 141 141 LYS H H 9.98019 0.005 . 533 141 141 LYS C C 176.657 0.03 . 534 141 141 LYS CA C 59.33 0.03 . 535 141 141 LYS N N 124.638 0.02 . 536 142 142 VAL H H 8.71152 0.005 . 537 142 142 VAL C C 177.362 0.03 . 538 142 142 VAL CA C 61.177 0.03 . 539 142 142 VAL N N 121.099 0.02 . 540 143 143 GLU H H 8.01814 0.005 . 541 143 143 GLU C C 174.2 0.03 . 542 143 143 GLU CA C 58.401 0.03 . 543 143 143 GLU N N 126.039 0.02 . 544 144 144 GLY H H 8.77305 0.005 . 545 144 144 GLY C C 177.467 0.03 . 546 144 144 GLY CA C 45.574 0.03 . 547 144 144 GLY N N 112.212 0.02 . 548 145 145 LYS H H 7.84866 0.005 . 549 145 145 LYS C C 173.727 0.03 . 550 145 145 LYS CA C 53.702 0.03 . 551 145 145 LYS N N 119.872 0.02 . 552 146 146 ASP H H 8.91277 0.005 . 553 146 146 ASP C C 175.359 0.03 . 554 146 146 ASP CA C 54.133 0.03 . 555 146 146 ASP N N 120.414 0.02 . 556 147 147 ASP H H 7.7521 0.005 . 557 147 147 ASP C C 177.24 0.03 . 558 147 147 ASP CA C 57.39 0.03 . 559 147 147 ASP N N 127.558 0.02 . 560 148 148 VAL H H 6.21974 0.005 . 561 148 148 VAL C C 176.522 0.03 . 562 148 148 VAL CA C 65.162 0.03 . 563 148 148 VAL N N 115.4 0.02 . 564 149 149 THR H H 7.35211 0.005 . 565 149 149 THR C C 177.574 0.03 . 566 149 149 THR CA C 62.213 0.03 . 567 149 149 THR N N 105.912 0.02 . 568 150 150 GLY H H 7.73359 0.005 . 569 150 150 GLY C C 176.646 0.03 . 570 150 150 GLY CA C 46.016 0.03 . 571 150 150 GLY N N 111.62 0.02 . 572 151 151 GLU H H 7.53704 0.005 . 573 151 151 GLU C C 173.488 0.03 . 574 151 151 GLU CA C 55.854 0.03 . 575 151 151 GLU N N 119.064 0.02 . 576 152 152 GLU H H 8.56479 0.005 . 577 152 152 GLU C C 176.063 0.03 . 578 152 152 GLU CA C 57.584 0.03 . 579 152 152 GLU N N 120.061 0.02 . 580 153 153 LEU H H 7.78959 0.005 . 581 153 153 LEU C C 176.92 0.03 . 582 153 153 LEU CA C 53.227 0.03 . 583 153 153 LEU N N 121.471 0.02 . 584 154 154 THR H H 9.20459 0.005 . 585 154 154 THR C C 176.942 0.03 . 586 154 154 THR CA C 60.176 0.03 . 587 154 154 THR N N 114.787 0.02 . 588 155 155 THR H H 8.26274 0.005 . 589 155 155 THR C C 173.438 0.03 . 590 155 155 THR CA C 60.779 0.03 . 591 155 155 THR N N 116.245 0.02 . 592 156 156 ARG H H 9.67815 0.005 . 593 156 156 ARG C C 175.125 0.03 . 594 156 156 ARG CA C 56.273 0.03 . 595 156 156 ARG N N 127.891 0.02 . 596 157 157 LYS H H 8.72061 0.005 . 597 157 157 LYS C C 178.407 0.03 . 598 157 157 LYS CA C 59.587 0.03 . 599 157 157 LYS N N 125.688 0.02 . 600 158 158 ASP H H 8.182 0.005 . 601 158 158 ASP C C 178.747 0.03 . 602 158 158 ASP CA C 55.407 0.03 . 603 158 158 ASP N N 114.174 0.02 . 604 159 159 ASP H H 7.331 0.005 . 605 159 159 ASP C C 175.369 0.03 . 606 159 159 ASP CA C 53.354 0.03 . 607 159 159 ASP N N 117.583 0.02 . 608 160 160 GLN H H 6.935 0.005 . 609 160 160 GLN C C 175.012 0.03 . 610 160 160 GLN CA C 55.909 0.03 . 611 160 160 GLN N N 117.484 0.02 . 612 161 161 GLU H H 9.1058 0.005 . 613 161 161 GLU C C 174.979 0.03 . 614 161 161 GLU CA C 61.195 0.03 . 615 161 161 GLU N N 124.729 0.02 . 616 162 162 GLU H H 9.19252 0.005 . 617 162 162 GLU C C 177.348 0.03 . 618 162 162 GLU CA C 59.866 0.03 . 619 162 162 GLU N N 116.994 0.02 . 620 163 163 CYS H H 7.14096 0.005 . 621 163 163 CYS C C 178.94 0.03 . 622 163 163 CYS CA C 61.231 0.03 . 623 163 163 CYS N N 118.751 0.02 . 624 164 164 VAL H H 7.978 0.005 . 625 164 164 VAL CA C 66.347 0.03 . 626 164 164 VAL N N 121.734 0.02 . 627 165 165 ARG H H 8.6318 0.005 . 628 165 165 ARG C C 178.349 0.03 . 629 165 165 ARG CA C 60.913 0.03 . 630 165 165 ARG N N 117.358 0.02 . 631 166 166 LYS H H 7.53324 0.005 . 632 166 166 LYS N N 120.288 0.02 . 633 167 167 ARG H H 7.80392 0.005 . 634 167 167 ARG N N 119.788 0.02 . 635 168 168 LEU H H 7.98069 0.005 . 636 168 168 LEU C C 177.048 0.03 . 637 168 168 LEU CA C 58.127 0.03 . 638 168 168 LEU N N 121.689 0.02 . 639 169 169 VAL H H 8.132 0.005 . 640 169 169 VAL C C 178.174 0.03 . 641 169 169 VAL CA C 67.155 0.03 . 642 169 169 VAL N N 121.908 0.02 . 643 170 170 GLU H H 7.85325 0.005 . 644 170 170 GLU C C 179.485 0.03 . 645 170 170 GLU CA C 59.435 0.03 . 646 170 170 GLU N N 119.704 0.02 . 647 171 171 TYR H H 8.08352 0.005 . 648 171 171 TYR C C 178.993 0.03 . 649 171 171 TYR CA C 61.722 0.03 . 650 171 171 TYR N N 120.518 0.02 . 651 172 172 HIS H H 8.73106 0.005 . 652 172 172 HIS C C 179.073 0.03 . 653 172 172 HIS CA C 59.448 0.03 . 654 172 172 HIS N N 120.863 0.02 . 655 173 173 GLN H H 8.43731 0.005 . 656 173 173 GLN C C 177.349 0.03 . 657 173 173 GLN CA C 58.915 0.03 . 658 173 173 GLN N N 119.47 0.02 . 659 174 174 MET H H 7.63527 0.005 . 660 174 174 MET C C 178.407 0.03 . 661 174 174 MET CA C 57.453 0.03 . 662 174 174 MET N N 115.963 0.02 . 663 175 175 THR H H 8.069 0.005 . 664 175 175 THR C C 178.169 0.03 . 665 175 175 THR CA C 65.447 0.03 . 666 175 175 THR N N 113.602 0.02 . 667 176 176 ALA H H 8.3387 0.005 . 668 176 176 ALA C C 175.619 0.03 . 669 176 176 ALA CA C 57.457 0.03 . 670 176 176 ALA N N 126.495 0.02 . 671 177 177 PRO CA C 65.557 0.03 . 672 178 178 LEU H H 6.76139 0.005 . 673 178 178 LEU C C 179.698 0.03 . 674 178 178 LEU CA C 57.204 0.03 . 675 178 178 LEU N N 119.568 0.02 . 676 179 179 ILE H H 8.33948 0.005 . 677 179 179 ILE C C 178.188 0.03 . 678 179 179 ILE CA C 64.769 0.03 . 679 179 179 ILE N N 121.467 0.02 . 680 180 180 GLY H H 7.76018 0.005 . 681 180 180 GLY C C 179.677 0.03 . 682 180 180 GLY CA C 47.419 0.03 . 683 180 180 GLY N N 108.103 0.02 . 684 181 181 TYR H H 7.82121 0.005 . 685 181 181 TYR C C 176.66 0.03 . 686 181 181 TYR CA C 61.472 0.03 . 687 181 181 TYR N N 124.218 0.02 . 688 182 182 TYR H H 8.79924 0.005 . 689 182 182 TYR C C 178.274 0.03 . 690 182 182 TYR CA C 62.934 0.03 . 691 182 182 TYR N N 119.152 0.02 . 692 183 183 SER H H 8.36 0.005 . 693 183 183 SER C C 178.14 0.03 . 694 183 183 SER CA C 62.255 0.03 . 695 183 183 SER N N 117.768 0.02 . 696 184 184 LYS H H 7.30456 0.005 . 697 184 184 LYS C C 177.101 0.03 . 698 184 184 LYS CA C 58.934 0.03 . 699 184 184 LYS N N 124.029 0.02 . 700 185 185 GLU H H 7.8799 0.005 . 701 185 185 GLU C C 180.039 0.03 . 702 185 185 GLU CA C 58.637 0.03 . 703 185 185 GLU N N 121.279 0.02 . 704 186 186 ALA H H 8.23453 0.005 . 705 186 186 ALA C C 178.872 0.03 . 706 186 186 ALA CA C 54.271 0.03 . 707 186 186 ALA N N 123.34 0.02 . 708 187 187 GLU H H 7.83972 0.005 . 709 187 187 GLU C C 181.902 0.03 . 710 187 187 GLU CA C 59.056 0.03 . 711 187 187 GLU N N 122.423 0.02 . 712 188 188 ALA H H 7.36146 0.005 . 713 188 188 ALA C C 178.044 0.03 . 714 188 188 ALA CA C 52.291 0.03 . 715 188 188 ALA N N 119.225 0.02 . 716 189 189 GLY H H 7.68668 0.005 . 717 189 189 GLY C C 177.691 0.03 . 718 189 189 GLY CA C 45.109 0.03 . 719 189 189 GLY N N 105.754 0.02 . 720 190 190 ASN H H 8.03762 0.005 . 721 190 190 ASN C C 174.902 0.03 . 722 190 190 ASN CA C 54.109 0.03 . 723 190 190 ASN N N 117.679 0.02 . 724 191 191 THR H H 7.4145 0.005 . 725 191 191 THR C C 174.533 0.03 . 726 191 191 THR CA C 60.928 0.03 . 727 191 191 THR N N 113.645 0.02 . 728 192 192 LYS H H 7.71311 0.005 . 729 192 192 LYS C C 171.519 0.03 . 730 192 192 LYS CA C 55.739 0.03 . 731 192 192 LYS N N 122.99 0.02 . 732 193 193 TYR H H 8.18345 0.005 . 733 193 193 TYR C C 173.783 0.03 . 734 193 193 TYR CA C 55.601 0.03 . 735 193 193 TYR N N 124.213 0.02 . 736 194 194 ALA H H 8.13359 0.005 . 737 194 194 ALA C C 174.749 0.03 . 738 194 194 ALA CA C 51.544 0.03 . 739 194 194 ALA N N 130.51 0.02 . 740 195 195 LYS H H 8.20878 0.005 . 741 195 195 LYS C C 173.373 0.03 . 742 195 195 LYS CA C 54.951 0.03 . 743 195 195 LYS N N 122.991 0.02 . 744 196 196 VAL H H 8.9611 0.005 . 745 196 196 VAL C C 175.832 0.03 . 746 196 196 VAL CA C 60.029 0.03 . 747 196 196 VAL N N 125.548 0.02 . 748 197 197 ASP H H 8.61925 0.005 . 749 197 197 ASP C C 173.607 0.03 . 750 197 197 ASP CA C 52.942 0.03 . 751 197 197 ASP N N 125.079 0.02 . 752 198 198 GLY H H 8.28571 0.005 . 753 198 198 GLY C C 175.812 0.03 . 754 198 198 GLY CA C 46.27 0.03 . 755 198 198 GLY N N 112.454 0.02 . 756 199 199 THR H H 8.54138 0.005 . 757 199 199 THR C C 175.334 0.03 . 758 199 199 THR CA C 62.658 0.03 . 759 199 199 THR N N 112.312 0.02 . 760 200 200 LYS H H 6.449 0.005 . 761 200 200 LYS C C 175.016 0.03 . 762 200 200 LYS CA C 55.49 0.03 . 763 200 200 LYS N N 122.056 0.02 . 764 201 201 PRO CA C 63.033 0.03 . 765 202 202 VAL H H 8.33739 0.005 . 766 202 202 VAL C C 177.838 0.03 . 767 202 202 VAL CA C 66.891 0.03 . 768 202 202 VAL N N 123.938 0.02 . 769 203 203 ALA H H 8.718 0.005 . 770 203 203 ALA C C 177.571 0.03 . 771 203 203 ALA CA C 55.077 0.03 . 772 203 203 ALA N N 119.972 0.02 . 773 204 204 GLU H H 7.27879 0.005 . 774 204 204 GLU C C 180.863 0.03 . 775 204 204 GLU CA C 58.536 0.03 . 776 204 204 GLU N N 118.291 0.02 . 777 205 205 VAL H H 7.73701 0.005 . 778 205 205 VAL C C 178.285 0.03 . 779 205 205 VAL CA C 66.217 0.03 . 780 205 205 VAL N N 121.583 0.02 . 781 206 206 ARG H H 7.832 0.005 . 782 206 206 ARG C C 178.168 0.03 . 783 206 206 ARG CA C 59.994 0.03 . 784 206 206 ARG N N 118.766 0.02 . 785 207 207 ALA H H 7.11158 0.005 . 786 207 207 ALA C C 177.906 0.03 . 787 207 207 ALA CA C 54.959 0.03 . 788 207 207 ALA N N 120.817 0.02 . 789 208 208 ASP H H 8.1447 0.005 . 790 208 208 ASP C C 180.869 0.03 . 791 208 208 ASP CA C 57.459 0.03 . 792 208 208 ASP N N 121.806 0.02 . 793 209 209 LEU H H 8.41388 0.005 . 794 209 209 LEU C C 179.68 0.03 . 795 209 209 LEU CA C 58.117 0.03 . 796 209 209 LEU N N 121.039 0.02 . 797 210 210 GLU H H 8.3358 0.005 . 798 210 210 GLU C C 178.637 0.03 . 799 210 210 GLU CA C 59.456 0.03 . 800 210 210 GLU N N 119.367 0.02 . 801 211 211 LYS H H 7.541 0.005 . 802 211 211 LYS C C 179.547 0.03 . 803 211 211 LYS CA C 58.799 0.03 . 804 211 211 LYS N N 119.481 0.02 . 805 212 212 ILE H H 7.4698 0.005 . 806 212 212 ILE C C 178.678 0.03 . 807 212 212 ILE CA C 64.246 0.03 . 808 212 212 ILE N N 119.713 0.02 . 809 213 213 LEU H H 7.996 0.005 . 810 213 213 LEU C C 177.002 0.03 . 811 213 213 LEU CA C 55.908 0.03 . 812 213 213 LEU N N 117.533 0.02 . 813 214 214 GLY H H 7.49646 0.005 . 814 214 214 GLY C C 177.376 0.03 . 815 214 214 GLY CA C 46.327 0.03 . 816 214 214 GLY N N 112.91 0.02 . stop_ save_