data_26932 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Backbone 1H, 13C, and 15N Chemical Shift Assignments for MTTTm ; _BMRB_accession_number 26932 _BMRB_flat_file_name bmr26932.str _Entry_type original _Submission_date 2016-11-03 _Accession_date 2016-11-03 _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 Burban David J. . 2 Jennings Patricia A. . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 145 "13C chemical shifts" 438 "15N chemical shifts" 145 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2018-04-13 update BMRB 'update entry citation' 2017-03-27 original author 'original release' stop_ _Original_release_date 2016-11-03 save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full . _Citation_title ; Backbone assignments for the SPOUT methyltransferase MTT Tm , a knotted protein from Thermotoga maritima ; _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 28284017 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Burban David J. . 2 Jennings Patricia A. . stop_ _Journal_abbreviation 'Biomol. NMR Assign.' _Journal_volume 11 _Journal_issue 2 _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 151 _Page_last 154 _Year 2017 _Details . loop_ _Keyword 'SPOUT methyltransferase' 'minimal tied trefoil' topology 'trefoil knot' stop_ save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name 'MTTTm monomer' _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label 'MTTTm monomer' $MTTTm 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_MTTTm _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common MTTTm _Molecular_mass . _Mol_thiol_state 'all free' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 162 _Mol_residue_sequence ; SLRVRIAVIGKLDGFIKEGI KHYEKFLRRFCKPEVLEIKR VHRGSIEEIVRKETEDLTNR ILPGSFVMVMDKRGEEVSSE EFADFLKDLEMKGKDITILI GGPYGLNEEIFAKAHRVFSL SKMTFTHGMTVLIVLEQIFR AFKIIHGENYHYEGGSHHHH HH ; loop_ _Residue_seq_code _Residue_author_seq_code _Residue_label 1 0 SER 2 1 LEU 3 2 ARG 4 3 VAL 5 4 ARG 6 5 ILE 7 6 ALA 8 7 VAL 9 8 ILE 10 9 GLY 11 10 LYS 12 11 LEU 13 12 ASP 14 13 GLY 15 14 PHE 16 15 ILE 17 16 LYS 18 17 GLU 19 18 GLY 20 19 ILE 21 20 LYS 22 21 HIS 23 22 TYR 24 23 GLU 25 24 LYS 26 25 PHE 27 26 LEU 28 27 ARG 29 28 ARG 30 29 PHE 31 30 CYS 32 31 LYS 33 32 PRO 34 33 GLU 35 34 VAL 36 35 LEU 37 36 GLU 38 37 ILE 39 38 LYS 40 39 ARG 41 40 VAL 42 41 HIS 43 42 ARG 44 43 GLY 45 44 SER 46 45 ILE 47 46 GLU 48 47 GLU 49 48 ILE 50 49 VAL 51 50 ARG 52 51 LYS 53 52 GLU 54 53 THR 55 54 GLU 56 55 ASP 57 56 LEU 58 57 THR 59 58 ASN 60 59 ARG 61 60 ILE 62 61 LEU 63 62 PRO 64 63 GLY 65 64 SER 66 65 PHE 67 66 VAL 68 67 MET 69 68 VAL 70 69 MET 71 70 ASP 72 71 LYS 73 72 ARG 74 73 GLY 75 74 GLU 76 75 GLU 77 76 VAL 78 77 SER 79 78 SER 80 79 GLU 81 80 GLU 82 81 PHE 83 82 ALA 84 83 ASP 85 84 PHE 86 85 LEU 87 86 LYS 88 87 ASP 89 88 LEU 90 89 GLU 91 90 MET 92 91 LYS 93 92 GLY 94 93 LYS 95 94 ASP 96 95 ILE 97 96 THR 98 97 ILE 99 98 LEU 100 99 ILE 101 100 GLY 102 101 GLY 103 102 PRO 104 103 TYR 105 104 GLY 106 105 LEU 107 106 ASN 108 107 GLU 109 108 GLU 110 109 ILE 111 110 PHE 112 111 ALA 113 112 LYS 114 113 ALA 115 114 HIS 116 115 ARG 117 116 VAL 118 117 PHE 119 118 SER 120 119 LEU 121 120 SER 122 121 LYS 123 122 MET 124 123 THR 125 124 PHE 126 125 THR 127 126 HIS 128 127 GLY 129 128 MET 130 129 THR 131 130 VAL 132 131 LEU 133 132 ILE 134 133 VAL 135 134 LEU 136 135 GLU 137 136 GLN 138 137 ILE 139 138 PHE 140 139 ARG 141 140 ALA 142 141 PHE 143 142 LYS 144 143 ILE 145 144 ILE 146 145 HIS 147 146 GLY 148 147 GLU 149 148 ASN 150 149 TYR 151 150 HIS 152 151 TYR 153 152 GLU 154 153 GLY 155 154 GLY 156 155 SER 157 156 HIS 158 157 HIS 159 158 HIS 160 159 HIS 161 160 HIS 162 161 HIS 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 $MTTTm 'Thermotoga maritima' 2336 Bacteria . Thermotoga maritima 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 $MTTTm 'recombinant technology' . Escherichia coli . pet28a 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 _Concentration_min_value _Concentration_max_value _Isotopic_labeling $MTTTm 350 uM 300 400 '[U-100% 13C; U-100% 15N]' 'sodium acetate buffer' 75 mM . . 'natural abundance' stop_ save_ ############################ # Computer software used # ############################ save_SPARKY _Saveframe_category software _Name SPARKY _Version . loop_ _Vendor _Address _Electronic_address Goddard . . stop_ loop_ _Task 'chemical shift assignment' 'data analysis' 'peak picking' stop_ _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Varian _Model Avance _Field_strength 800 _Details . save_ ############################# # NMR applied experiments # ############################# save_2D_1H-15N_HSQC_1 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-15N HSQC' _Sample_label $sample_1 save_ save_3D_HNCA_2 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCA' _Sample_label $sample_1 save_ save_3D_HNCACB_3 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCACB' _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_HNCO_5 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCO' _Sample_label $sample_1 save_ save_3D_HN(CA)CO_6 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HN(CA)CO' _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' 75 . mM pH 5.6 . pH pressure 1 . atm temperature 323 . K stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference_1 _Saveframe_category chemical_shift_reference _Details . loop_ _Mol_common_name _Atom_type _Atom_isotope_number _Atom_group _Chem_shift_units _Chem_shift_value _Reference_method _Reference_type _External_reference_sample_geometry _External_reference_location _External_reference_axis _Indirect_shift_ratio DSS C 13 'methyl protons' ppm 0.00 na indirect . . . 0.251449530 DSS H 1 'methyl protons' ppm 0.00 internal direct . . . 1.000000000 DSS N 15 'methyl protons' ppm 0.00 na indirect . . . 0.101329118 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_assigned_chem_shift_list_1 _Saveframe_category assigned_chemical_shifts _Details . loop_ _Software_label $SPARKY stop_ loop_ _Experiment_label '2D 1H-15N HSQC' '3D HNCA' '3D HNCACB' '3D CBCA(CO)NH' '3D HNCO' '3D HN(CA)CO' 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 'MTTTm monomer' _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 0 1 SER C C 170.865 0.3 1 2 0 1 SER CA C 57.05 0.3 1 3 0 1 SER CB C 63.4 0.3 1 4 1 2 LEU H H 8.649 0.02 1 5 1 2 LEU C C 175.97 0.3 1 6 1 2 LEU CA C 55.83 0.3 1 7 1 2 LEU CB C 43.02 0.3 1 8 1 2 LEU N N 122.6 0.3 1 9 2 3 ARG H H 9.055 0.02 1 10 2 3 ARG C C 174.8 0.3 1 11 2 3 ARG CA C 55.96 0.3 1 12 2 3 ARG CB C 31.88 0.3 1 13 2 3 ARG N N 123.6 0.3 1 14 3 4 VAL H H 7.783 0.02 1 15 3 4 VAL C C 173.51 0.3 1 16 3 4 VAL CA C 60.67 0.3 1 17 3 4 VAL CB C 34.61 0.3 1 18 3 4 VAL N N 122.8 0.3 1 19 4 5 ARG H H 9.144 0.02 1 20 4 5 ARG C C 174.283 0.3 1 21 4 5 ARG CA C 53.93 0.3 1 22 4 5 ARG CB C 33.59 0.3 1 23 4 5 ARG N N 127.5 0.3 1 24 5 6 ILE H H 9.245 0.02 1 25 5 6 ILE C C 173.845 0.3 1 26 5 6 ILE CA C 59.98 0.3 1 27 5 6 ILE CB C 39.83 0.3 1 28 5 6 ILE N N 128.3 0.3 1 29 6 7 ALA H H 9.255 0.02 1 30 6 7 ALA C C 173.362 0.3 1 31 6 7 ALA CA C 50.34 0.3 1 32 6 7 ALA CB C 20.77 0.3 1 33 6 7 ALA N N 131.1 0.3 1 34 7 8 VAL H H 8.426 0.02 1 35 7 8 VAL C C 172.27 0.3 1 36 7 8 VAL CA C 57.58 0.3 1 37 7 8 VAL CB C 36.2 0.3 1 38 7 8 VAL N N 120 0.3 1 39 8 9 ILE H H 7.333 0.02 1 40 8 9 ILE C C 174.468 0.3 1 41 8 9 ILE CA C 58.47 0.3 1 42 8 9 ILE CB C 36.18 0.3 1 43 8 9 ILE N N 126.3 0.3 1 44 9 10 GLY H H 8.315 0.02 1 45 9 10 GLY C C 171.07 0.3 1 46 9 10 GLY CA C 43.44 0.3 1 47 9 10 GLY N N 114.8 0.3 1 48 10 11 LYS H H 7.681 0.02 1 49 10 11 LYS C C 178.128 0.3 1 50 10 11 LYS CA C 55.7 0.3 1 51 10 11 LYS CB C 33.86 0.3 1 52 10 11 LYS N N 116.7 0.3 1 53 11 12 LEU H H 9.144 0.02 1 54 11 12 LEU C C 175.477 0.3 1 55 11 12 LEU CA C 53.23 0.3 1 56 11 12 LEU CB C 42.36 0.3 1 57 11 12 LEU N N 127.5 0.3 1 58 12 13 ASP H H 7.685 0.02 1 59 12 13 ASP C C 176.703 0.3 1 60 12 13 ASP CA C 54.25 0.3 1 61 12 13 ASP CB C 43.3 0.3 1 62 12 13 ASP N N 121.4 0.3 1 63 14 15 PHE C C 176.16 0.3 1 64 14 15 PHE CA C 60.16 0.3 1 65 14 15 PHE CB C 37.43 0.3 1 66 15 16 ILE H H 6.27 0.02 1 67 15 16 ILE C C 177.887 0.3 1 68 15 16 ILE CA C 62.28 0.3 1 69 15 16 ILE CB C 35.72 0.3 1 70 15 16 ILE N N 121.5 0.3 1 71 16 17 LYS H H 7.29 0.02 1 72 16 17 LYS C C 179.264 0.3 1 73 16 17 LYS CA C 60.06 0.3 1 74 16 17 LYS CB C 31.4 0.3 1 75 16 17 LYS N N 119.3 0.3 1 76 17 18 GLU H H 7.908 0.02 1 77 17 18 GLU C C 179.241 0.3 1 78 17 18 GLU CA C 59.17 0.3 1 79 17 18 GLU CB C 29.48 0.3 1 80 17 18 GLU N N 118.7 0.3 1 81 18 19 GLY H H 7.928 0.02 1 82 18 19 GLY C C 174.691 0.3 1 83 18 19 GLY CA C 46.71 0.3 1 84 18 19 GLY N N 110.7 0.3 1 85 19 20 ILE H H 8.406 0.02 1 86 19 20 ILE C C 177.304 0.3 1 87 19 20 ILE CA C 66.12 0.3 1 88 19 20 ILE CB C 37.75 0.3 1 89 19 20 ILE N N 122.9 0.3 1 90 20 21 LYS H H 7.499 0.02 1 91 20 21 LYS C C 178.895 0.3 1 92 20 21 LYS CA C 59.45 0.3 1 93 20 21 LYS CB C 32.24 0.3 1 94 20 21 LYS N N 118.2 0.3 1 95 21 22 HIS H H 7.521 0.02 1 96 21 22 HIS C C 176.427 0.3 1 97 21 22 HIS CA C 59.86 0.3 1 98 21 22 HIS CB C 30.25 0.3 1 99 21 22 HIS N N 118.8 0.3 1 100 22 23 TYR H H 7.938 0.02 1 101 22 23 TYR C C 178.889 0.3 1 102 22 23 TYR CA C 63.55 0.3 1 103 22 23 TYR CB C 39.14 0.3 1 104 22 23 TYR N N 113.7 0.3 1 105 23 24 GLU H H 9.248 0.02 1 106 23 24 GLU C C 177.504 0.3 1 107 23 24 GLU CA C 61.37 0.3 1 108 23 24 GLU CB C 29.85 0.3 1 109 23 24 GLU N N 120.6 0.3 1 110 24 25 LYS H H 7.099 0.02 1 111 24 25 LYS C C 178.617 0.3 1 112 24 25 LYS CA C 59.55 0.3 1 113 24 25 LYS CB C 31.76 0.3 1 114 24 25 LYS N N 116.2 0.3 1 115 25 26 PHE H H 6.817 0.02 1 116 25 26 PHE C C 178.36 0.3 1 117 25 26 PHE CA C 59.39 0.3 1 118 25 26 PHE CB C 39.34 0.3 1 119 25 26 PHE N N 116.3 0.3 1 120 26 27 LEU H H 8.635 0.02 1 121 26 27 LEU C C 178.622 0.3 1 122 26 27 LEU CA C 57.54 0.3 1 123 26 27 LEU CB C 43.74 0.3 1 124 26 27 LEU N N 117.7 0.3 1 125 27 28 ARG H H 7.744 0.02 1 126 27 28 ARG C C 176.324 0.3 1 127 27 28 ARG CA C 58.64 0.3 1 128 27 28 ARG CB C 29.99 0.3 1 129 27 28 ARG N N 118.4 0.3 1 130 28 29 ARG H H 7.099 0.02 1 131 28 29 ARG C C 176.01 0.3 1 132 28 29 ARG CA C 57.87 0.3 1 133 28 29 ARG CB C 30.19 0.3 1 134 28 29 ARG N N 116.2 0.3 1 135 29 30 PHE H H 7.865 0.02 1 136 29 30 PHE C C 174.452 0.3 1 137 29 30 PHE CA C 57.68 0.3 1 138 29 30 PHE CB C 42.33 0.3 1 139 29 30 PHE N N 114.2 0.3 1 140 30 31 CYS H H 8.271 0.02 1 141 30 31 CYS C C 171.298 0.3 1 142 30 31 CYS CA C 56.33 0.3 1 143 30 31 CYS CB C 30.58 0.3 1 144 30 31 CYS N N 112.5 0.3 1 145 31 32 LYS H H 8.701 0.02 1 146 31 32 LYS C C 174.611 0.3 1 147 31 32 LYS CA C 52.92 0.3 1 148 31 32 LYS CB C 33.09 0.3 1 149 31 32 LYS N N 118.1 0.3 1 150 32 33 PRO C C 176.649 0.3 1 151 32 33 PRO CA C 61.79 0.3 1 152 32 33 PRO CB C 32.29 0.3 1 153 33 34 GLU H H 8.764 0.02 1 154 33 34 GLU C C 173.752 0.3 1 155 33 34 GLU CA C 55.84 0.3 1 156 33 34 GLU CB C 33.58 0.3 1 157 33 34 GLU N N 119.7 0.3 1 158 34 35 VAL H H 8.685 0.02 1 159 34 35 VAL C C 174.869 0.3 1 160 34 35 VAL CA C 61.32 0.3 1 161 34 35 VAL CB C 32.7 0.3 1 162 34 35 VAL N N 124.2 0.3 1 163 35 36 LEU H H 9.544 0.02 1 164 35 36 LEU C C 174.094 0.3 1 165 35 36 LEU CA C 53.8 0.3 1 166 35 36 LEU CB C 43.4 0.3 1 167 35 36 LEU N N 130.4 0.3 1 168 36 37 GLU H H 8.224 0.02 1 169 36 37 GLU C C 175.927 0.3 1 170 36 37 GLU CA C 55.36 0.3 1 171 36 37 GLU CB C 31.92 0.3 1 172 36 37 GLU N N 124 0.3 1 173 37 38 ILE H H 8.883 0.02 1 174 37 38 ILE C C 175.292 0.3 1 175 37 38 ILE CA C 60.77 0.3 1 176 37 38 ILE CB C 37.99 0.3 1 177 37 38 ILE N N 128.4 0.3 1 178 38 39 LYS H H 8.279 0.02 1 179 38 39 LYS C C 176.361 0.3 1 180 38 39 LYS CA C 56.97 0.3 1 181 38 39 LYS CB C 32.44 0.3 1 182 38 39 LYS N N 126.6 0.3 1 183 40 41 VAL C C 175.543 0.3 1 184 40 41 VAL CA C 61.52 0.3 1 185 40 41 VAL CB C 32.61 0.3 1 186 41 42 HIS H H 8.183 0.02 1 187 41 42 HIS C C 174.397 0.3 1 188 41 42 HIS CA C 56.48 0.3 1 189 41 42 HIS CB C 31.7 0.3 1 190 41 42 HIS N N 123.4 0.3 1 191 42 43 ARG H H 8.123 0.02 1 192 42 43 ARG C C 174.378 0.3 1 193 42 43 ARG CA C 54.62 0.3 1 194 42 43 ARG CB C 33.11 0.3 1 195 42 43 ARG N N 120.5 0.3 1 196 43 44 GLY H H 7.957 0.02 1 197 43 44 GLY C C 173.09 0.3 1 198 43 44 GLY CA C 44.2 0.3 1 199 43 44 GLY N N 107.8 0.3 1 200 44 45 SER H H 8.334 0.02 1 201 44 45 SER C C 174.717 0.3 1 202 44 45 SER CA C 57.64 0.3 1 203 44 45 SER CB C 64.72 0.3 1 204 44 45 SER N N 115.6 0.3 1 205 45 46 ILE H H 8.443 0.02 1 206 45 46 ILE C C 177.005 0.3 1 207 45 46 ILE CA C 65.02 0.3 1 208 45 46 ILE CB C 36.78 0.3 1 209 45 46 ILE N N 121.4 0.3 1 210 46 47 GLU H H 8.366 0.02 1 211 46 47 GLU C C 179.348 0.3 1 212 46 47 GLU CA C 60.31 0.3 1 213 46 47 GLU CB C 29.11 0.3 1 214 46 47 GLU N N 116.8 0.3 1 215 47 48 GLU H H 7.483 0.02 1 216 47 48 GLU C C 178.502 0.3 1 217 47 48 GLU CA C 59.16 0.3 1 218 47 48 GLU CB C 30.06 0.3 1 219 47 48 GLU N N 120.6 0.3 1 220 48 49 ILE H H 8.413 0.02 1 221 48 49 ILE C C 177.791 0.3 1 222 48 49 ILE CA C 66.62 0.3 1 223 48 49 ILE CB C 29.49 0.3 1 224 48 49 ILE N N 121.7 0.3 1 225 49 50 VAL H H 8.558 0.02 1 226 49 50 VAL C C 180.008 0.3 1 227 49 50 VAL CA C 66.81 0.3 1 228 49 50 VAL CB C 31.82 0.3 1 229 49 50 VAL N N 118.5 0.3 1 230 50 51 ARG H H 7.961 0.02 1 231 50 51 ARG C C 178.499 0.3 1 232 50 51 ARG CA C 60.83 0.3 1 233 50 51 ARG CB C 29.9 0.3 1 234 50 51 ARG N N 123.1 0.3 1 235 51 52 LYS H H 8.083 0.02 1 236 51 52 LYS C C 179.195 0.3 1 237 51 52 LYS CA C 59.18 0.3 1 238 51 52 LYS CB C 30.4 0.3 1 239 51 52 LYS N N 120.1 0.3 1 240 52 53 GLU H H 8.896 0.02 1 241 52 53 GLU C C 178.936 0.3 1 242 52 53 GLU CA C 59.9 0.3 1 243 52 53 GLU N N 120.2 0.3 1 244 53 54 THR H H 8.098 0.02 1 245 53 54 THR C C 176.961 0.3 1 246 53 54 THR CA C 68.07 0.3 1 247 53 54 THR N N 114.2 0.3 1 248 54 55 GLU H H 8.016 0.02 1 249 54 55 GLU C C 178.15 0.3 1 250 54 55 GLU CA C 59.67 0.3 1 251 54 55 GLU CB C 29.51 0.3 1 252 54 55 GLU N N 125 0.3 1 253 55 56 ASP H H 8.195 0.02 1 254 55 56 ASP C C 179.515 0.3 1 255 55 56 ASP CA C 57.84 0.3 1 256 55 56 ASP CB C 40.69 0.3 1 257 55 56 ASP N N 120.5 0.3 1 258 56 57 LEU H H 7.928 0.02 1 259 56 57 LEU C C 179.021 0.3 1 260 56 57 LEU CA C 58.21 0.3 1 261 56 57 LEU CB C 42.79 0.3 1 262 56 57 LEU N N 118.7 0.3 1 263 57 58 THR H H 8.27 0.02 1 264 57 58 THR C C 177.407 0.3 1 265 57 58 THR CA C 66.19 0.3 1 266 57 58 THR CB C 68.24 0.3 1 267 57 58 THR N N 113 0.3 1 268 58 59 ASN H H 8.019 0.02 1 269 58 59 ASN C C 175.8 0.3 1 270 58 59 ASN CA C 54.81 0.3 1 271 58 59 ASN CB C 38.64 0.3 1 272 58 59 ASN N N 119.3 0.3 1 273 59 60 ARG H H 7.651 0.02 1 274 59 60 ARG C C 175.785 0.3 1 275 59 60 ARG CA C 54.65 0.3 1 276 59 60 ARG CB C 30.17 0.3 1 277 59 60 ARG N N 116.9 0.3 1 278 60 61 ILE H H 7.128 0.02 1 279 60 61 ILE C C 177.432 0.3 1 280 60 61 ILE CA C 63.69 0.3 1 281 60 61 ILE CB C 39.36 0.3 1 282 60 61 ILE N N 120.3 0.3 1 283 61 62 LEU H H 7.865 0.02 1 284 61 62 LEU C C 175.335 0.3 1 285 61 62 LEU CA C 52.8 0.3 1 286 61 62 LEU CB C 41.35 0.3 1 287 61 62 LEU N N 130.9 0.3 1 288 63 64 GLY C C 174.278 0.3 1 289 63 64 GLY CA C 45.92 0.3 1 290 64 65 SER H H 7.826 0.02 1 291 64 65 SER C C 173.441 0.3 1 292 64 65 SER CA C 58.02 0.3 1 293 64 65 SER CB C 65.2 0.3 1 294 64 65 SER N N 114 0.3 1 295 65 66 PHE H H 9.264 0.02 1 296 65 66 PHE C C 174.845 0.3 1 297 65 66 PHE CA C 57.65 0.3 1 298 65 66 PHE CB C 41.21 0.3 1 299 65 66 PHE N N 122.9 0.3 1 300 66 67 VAL H H 11.11 0.02 1 301 66 67 VAL C C 175.789 0.3 1 302 66 67 VAL CA C 62.79 0.3 1 303 66 67 VAL CB C 32.95 0.3 1 304 66 67 VAL N N 133.8 0.3 1 305 67 68 MET H H 9.645 0.02 1 306 67 68 MET C C 174.566 0.3 1 307 67 68 MET CA C 53.69 0.3 1 308 67 68 MET CB C 37.08 0.3 1 309 67 68 MET N N 127.4 0.3 1 310 68 69 VAL H H 8.276 0.02 1 311 68 69 VAL C C 174.142 0.3 1 312 68 69 VAL CA C 60.75 0.3 1 313 68 69 VAL CB C 35.19 0.3 1 314 68 69 VAL N N 122.7 0.3 1 315 69 70 MET H H 7.875 0.02 1 316 69 70 MET C C 174.927 0.3 1 317 69 70 MET CA C 52.11 0.3 1 318 69 70 MET CB C 29.94 0.3 1 319 69 70 MET N N 124.5 0.3 1 320 70 71 ASP H H 8.958 0.02 1 321 70 71 ASP C C 174.974 0.3 1 322 70 71 ASP CA C 55.28 0.3 1 323 70 71 ASP CB C 47.86 0.3 1 324 70 71 ASP N N 123.8 0.3 1 325 71 72 LYS H H 8.174 0.02 1 326 71 72 LYS C C 176.407 0.3 1 327 71 72 LYS CA C 58.59 0.3 1 328 71 72 LYS CB C 32.37 0.3 1 329 71 72 LYS N N 124.1 0.3 1 330 72 73 ARG H H 9.061 0.02 1 331 72 73 ARG C C 177.17 0.3 1 332 72 73 ARG CA C 56.62 0.3 1 333 72 73 ARG CB C 29.9 0.3 1 334 72 73 ARG N N 119.2 0.3 1 335 73 74 GLY H H 8.079 0.02 1 336 73 74 GLY C C 171.514 0.3 1 337 73 74 GLY CA C 44.67 0.3 1 338 73 74 GLY N N 106.5 0.3 1 339 74 75 GLU H H 7.946 0.02 1 340 74 75 GLU C C 175.938 0.3 1 341 74 75 GLU CA C 56.26 0.3 1 342 74 75 GLU CB C 31.58 0.3 1 343 74 75 GLU N N 118.8 0.3 1 344 75 76 GLU H H 8.52 0.02 1 345 75 76 GLU C C 175.992 0.3 1 346 75 76 GLU CA C 55.13 0.3 1 347 75 76 GLU CB C 30.82 0.3 1 348 75 76 GLU N N 126.8 0.3 1 349 76 77 VAL H H 8.987 0.02 1 350 76 77 VAL C C 173.339 0.3 1 351 76 77 VAL CA C 58.95 0.3 1 352 76 77 VAL CB C 34.96 0.3 1 353 76 77 VAL N N 120.6 0.3 1 354 77 78 SER H H 8.348 0.02 1 355 77 78 SER C C 175.931 0.3 1 356 77 78 SER CA C 57 0.3 1 357 77 78 SER CB C 65.66 0.3 1 358 77 78 SER N N 112.3 0.3 1 359 78 79 SER H H 9.279 0.02 1 360 78 79 SER C C 175.919 0.3 1 361 78 79 SER CA C 64.62 0.3 1 362 78 79 SER N N 118 0.3 1 363 79 80 GLU H H 9.08 0.02 1 364 79 80 GLU C C 178.739 0.3 1 365 79 80 GLU CA C 61.28 0.3 1 366 79 80 GLU CB C 28.77 0.3 1 367 79 80 GLU N N 122.9 0.3 1 368 80 81 GLU H H 7.715 0.02 1 369 80 81 GLU C C 179.55 0.3 1 370 80 81 GLU CA C 59.2 0.3 1 371 80 81 GLU CB C 30.4 0.3 1 372 80 81 GLU N N 120.5 0.3 1 373 81 82 PHE H H 8.466 0.02 1 374 81 82 PHE C C 176.505 0.3 1 375 81 82 PHE CA C 62.02 0.3 1 376 81 82 PHE CB C 39.5 0.3 1 377 81 82 PHE N N 121.7 0.3 1 378 82 83 ALA H H 8.244 0.02 1 379 82 83 ALA C C 178.449 0.3 1 380 82 83 ALA CA C 55.68 0.3 1 381 82 83 ALA CB C 18.02 0.3 1 382 82 83 ALA N N 119.9 0.3 1 383 83 84 ASP H H 7.537 0.02 1 384 83 84 ASP C C 178.496 0.3 1 385 83 84 ASP CA C 57.65 0.3 1 386 83 84 ASP CB C 40.48 0.3 1 387 83 84 ASP N N 118.3 0.3 1 388 84 85 PHE H H 7.656 0.02 1 389 84 85 PHE C C 176.783 0.3 1 390 84 85 PHE CA C 60.09 0.3 1 391 84 85 PHE CB C 38.3 0.3 1 392 84 85 PHE N N 121.4 0.3 1 393 85 86 LEU H H 7.917 0.02 1 394 85 86 LEU C C 177.776 0.3 1 395 85 86 LEU CA C 57.37 0.3 1 396 85 86 LEU CB C 41.27 0.3 1 397 85 86 LEU N N 121.1 0.3 1 398 86 87 LYS H H 8.272 0.02 1 399 86 87 LYS C C 178.323 0.3 1 400 86 87 LYS CA C 59.76 0.3 1 401 86 87 LYS CB C 32.31 0.3 1 402 86 87 LYS N N 119.6 0.3 1 403 87 88 ASP H H 7.133 0.02 1 404 87 88 ASP C C 177.888 0.3 1 405 87 88 ASP CA C 57.55 0.3 1 406 87 88 ASP CB C 41.71 0.3 1 407 87 88 ASP N N 118.4 0.3 1 408 88 89 LEU H H 7.224 0.02 1 409 88 89 LEU C C 179.437 0.3 1 410 88 89 LEU CA C 58.11 0.3 1 411 88 89 LEU CB C 40.07 0.3 1 412 88 89 LEU N N 117.9 0.3 1 413 89 90 GLU H H 8.677 0.02 1 414 89 90 GLU C C 180.138 0.3 1 415 89 90 GLU CA C 59.91 0.3 1 416 89 90 GLU CB C 29.71 0.3 1 417 89 90 GLU N N 120 0.3 1 418 90 91 MET H H 8.226 0.02 1 419 90 91 MET C C 178.383 0.3 1 420 90 91 MET CA C 58.51 0.3 1 421 90 91 MET CB C 32.34 0.3 1 422 90 91 MET N N 119.2 0.3 1 423 91 92 LYS H H 7.656 0.02 1 424 91 92 LYS C C 177.104 0.3 1 425 91 92 LYS CA C 57.06 0.3 1 426 91 92 LYS CB C 33.74 0.3 1 427 91 92 LYS N N 117.1 0.3 1 428 92 93 GLY H H 7.905 0.02 1 429 92 93 GLY C C 174.435 0.3 1 430 92 93 GLY CA C 46.97 0.3 1 431 92 93 GLY N N 109.6 0.3 1 432 93 94 LYS H H 7.615 0.02 1 433 93 94 LYS C C 173.61 0.3 1 434 93 94 LYS CA C 54.7 0.3 1 435 93 94 LYS CB C 33.49 0.3 1 436 93 94 LYS N N 121.4 0.3 1 437 94 95 ASP H H 7.721 0.02 1 438 94 95 ASP C C 175.086 0.3 1 439 94 95 ASP CA C 54.74 0.3 1 440 94 95 ASP CB C 42.73 0.3 1 441 94 95 ASP N N 119.3 0.3 1 442 95 96 ILE H H 8.609 0.02 1 443 95 96 ILE C C 175.646 0.3 1 444 95 96 ILE CA C 60.78 0.3 1 445 95 96 ILE CB C 43.65 0.3 1 446 95 96 ILE N N 117.6 0.3 1 447 96 97 THR H H 9.335 0.02 1 448 96 97 THR C C 172.929 0.3 1 449 96 97 THR CA C 62.41 0.3 1 450 96 97 THR CB C 70.52 0.3 1 451 96 97 THR N N 121.6 0.3 1 452 97 98 ILE H H 9.892 0.02 1 453 97 98 ILE C C 174.084 0.3 1 454 97 98 ILE CA C 60.55 0.3 1 455 97 98 ILE CB C 39.74 0.3 1 456 97 98 ILE N N 127.9 0.3 1 457 98 99 LEU H H 8.67 0.02 1 458 98 99 LEU C C 175.305 0.3 1 459 98 99 LEU CA C 53.8 0.3 1 460 98 99 LEU CB C 43.98 0.3 1 461 98 99 LEU N N 125.9 0.3 1 462 99 100 ILE H H 8.375 0.02 1 463 99 100 ILE C C 174.745 0.3 1 464 99 100 ILE CA C 61.38 0.3 1 465 99 100 ILE N N 122.7 0.3 1 466 100 101 GLY H H 8.909 0.02 1 467 100 101 GLY C C 173.054 0.3 1 468 100 101 GLY CA C 44.55 0.3 1 469 100 101 GLY N N 111.8 0.3 1 470 101 102 GLY H H 8.931 0.02 1 471 101 102 GLY CA C 44.64 0.3 1 472 101 102 GLY N N 104.3 0.3 1 473 102 103 PRO C C 177.814 0.3 1 474 102 103 PRO CA C 64.53 0.3 1 475 102 103 PRO CB C 31.89 0.3 1 476 103 104 TYR H H 8.562 0.02 1 477 103 104 TYR C C 175.758 0.3 1 478 103 104 TYR CA C 56.51 0.3 1 479 103 104 TYR CB C 37.99 0.3 1 480 103 104 TYR N N 116.8 0.3 1 481 104 105 GLY H H 7.597 0.02 1 482 104 105 GLY C C 172.187 0.3 1 483 104 105 GLY CA C 44.56 0.3 1 484 104 105 GLY N N 107.2 0.3 1 485 105 106 LEU H H 8.117 0.02 1 486 105 106 LEU C C 176.609 0.3 1 487 105 106 LEU CA C 53.32 0.3 1 488 105 106 LEU CB C 46.15 0.3 1 489 105 106 LEU N N 117.3 0.3 1 490 106 107 ASN H H 8.02 0.02 1 491 106 107 ASN C C 175.381 0.3 1 492 106 107 ASN CA C 53.29 0.3 1 493 106 107 ASN CB C 40.46 0.3 1 494 106 107 ASN N N 120.7 0.3 1 495 107 108 GLU H H 8.649 0.02 1 496 107 108 GLU C C 177.73 0.3 1 497 107 108 GLU CA C 59.01 0.3 1 498 107 108 GLU CB C 29.79 0.3 1 499 107 108 GLU N N 122.6 0.3 1 500 108 109 GLU H H 8.549 0.02 1 501 108 109 GLU C C 178.751 0.3 1 502 108 109 GLU CA C 59.29 0.3 1 503 108 109 GLU CB C 29.35 0.3 1 504 108 109 GLU N N 120.1 0.3 1 505 109 110 ILE H H 7.608 0.02 1 506 109 110 ILE C C 176.626 0.3 1 507 109 110 ILE CA C 62.72 0.3 1 508 109 110 ILE CB C 37.74 0.3 1 509 109 110 ILE N N 117.2 0.3 1 510 110 111 PHE H H 7.23 0.02 1 511 110 111 PHE C C 177.169 0.3 1 512 110 111 PHE CA C 60.8 0.3 1 513 110 111 PHE CB C 37.01 0.3 1 514 110 111 PHE N N 119.6 0.3 1 515 111 112 ALA H H 7.358 0.02 1 516 111 112 ALA C C 178.33 0.3 1 517 111 112 ALA CA C 53.52 0.3 1 518 111 112 ALA CB C 18.68 0.3 1 519 111 112 ALA N N 119.8 0.3 1 520 112 113 LYS H H 7.233 0.02 1 521 112 113 LYS C C 175.042 0.3 1 522 112 113 LYS CA C 55.36 0.3 1 523 112 113 LYS CB C 33.44 0.3 1 524 112 113 LYS N N 115.5 0.3 1 525 113 114 ALA H H 6.883 0.02 1 526 113 114 ALA C C 176.249 0.3 1 527 113 114 ALA CA C 51.17 0.3 1 528 113 114 ALA CB C 20.39 0.3 1 529 113 114 ALA N N 119.2 0.3 1 530 114 115 HIS H H 8.889 0.02 1 531 114 115 HIS C C 176.947 0.3 1 532 114 115 HIS CA C 59.69 0.3 1 533 114 115 HIS CB C 31.41 0.3 1 534 114 115 HIS N N 121.7 0.3 1 535 115 116 ARG H H 7.721 0.02 1 536 115 116 ARG C C 173.263 0.3 1 537 115 116 ARG CA C 56.09 0.3 1 538 115 116 ARG CB C 34.95 0.3 1 539 115 116 ARG N N 116.8 0.3 1 540 116 117 VAL H H 8.256 0.02 1 541 116 117 VAL C C 175.604 0.3 1 542 116 117 VAL CA C 60.32 0.3 1 543 116 117 VAL CB C 32.97 0.3 1 544 116 117 VAL N N 124.5 0.3 1 545 117 118 PHE H H 9.012 0.02 1 546 117 118 PHE C C 174.045 0.3 1 547 117 118 PHE CA C 56.36 0.3 1 548 117 118 PHE CB C 42.99 0.3 1 549 117 118 PHE N N 125.5 0.3 1 550 118 119 SER H H 8.127 0.02 1 551 118 119 SER C C 175.704 0.3 1 552 118 119 SER CA C 54.96 0.3 1 553 118 119 SER CB C 65.59 0.3 1 554 118 119 SER N N 114 0.3 1 555 119 120 LEU H H 8.549 0.02 1 556 119 120 LEU C C 176.128 0.3 1 557 119 120 LEU CA C 56.16 0.3 1 558 119 120 LEU CB C 44.24 0.3 1 559 119 120 LEU N N 123.1 0.3 1 560 120 121 SER H H 7.373 0.02 1 561 120 121 SER C C 173.23 0.3 1 562 120 121 SER CA C 57.24 0.3 1 563 120 121 SER CB C 63.07 0.3 1 564 120 121 SER N N 108.8 0.3 1 565 121 122 LYS H H 8.109 0.02 1 566 121 122 LYS C C 179.222 0.3 1 567 121 122 LYS CA C 58.29 0.3 1 568 121 122 LYS CB C 33.41 0.3 1 569 121 122 LYS N N 122.8 0.3 1 570 122 123 MET H H 8.808 0.02 1 571 122 123 MET C C 173.67 0.3 1 572 122 123 MET CA C 56.94 0.3 1 573 122 123 MET CB C 34.86 0.3 1 574 122 123 MET N N 119.1 0.3 1 575 123 124 THR H H 8.571 0.02 1 576 123 124 THR C C 173.589 0.3 1 577 123 124 THR CA C 62.47 0.3 1 578 123 124 THR CB C 65.6 0.3 1 579 123 124 THR N N 116.3 0.3 1 580 124 125 PHE H H 8.49 0.02 1 581 124 125 PHE C C 177.143 0.3 1 582 124 125 PHE CA C 52.97 0.3 1 583 124 125 PHE CB C 40.83 0.3 1 584 124 125 PHE N N 127.6 0.3 1 585 125 126 THR H H 8.67 0.02 1 586 125 126 THR C C 176.931 0.3 1 587 125 126 THR CA C 62.24 0.3 1 588 125 126 THR N N 111.6 0.3 1 589 126 127 HIS C C 177.188 0.3 1 590 126 127 HIS CA C 60.1 0.3 1 591 126 127 HIS CB C 29 0.3 1 592 127 128 GLY H H 6.971 0.02 1 593 127 128 GLY C C 175.015 0.3 1 594 127 128 GLY CA C 47.67 0.3 1 595 127 128 GLY N N 107.3 0.3 1 596 128 129 MET H H 7.137 0.02 1 597 128 129 MET C C 178.273 0.3 1 598 128 129 MET CA C 56.63 0.3 1 599 128 129 MET CB C 30.87 0.3 1 600 128 129 MET N N 119.3 0.3 1 601 129 130 THR H H 8.119 0.02 1 602 129 130 THR C C 175.183 0.3 1 603 129 130 THR CA C 68.07 0.3 1 604 129 130 THR N N 115.5 0.3 1 605 130 131 VAL H H 7.615 0.02 1 606 130 131 VAL C C 176.444 0.3 1 607 130 131 VAL CA C 67.52 0.3 1 608 130 131 VAL CB C 31.17 0.3 1 609 130 131 VAL N N 119.5 0.3 1 610 131 132 LEU H H 7.242 0.02 1 611 131 132 LEU C C 177.786 0.3 1 612 131 132 LEU CA C 58.29 0.3 1 613 131 132 LEU CB C 41.74 0.3 1 614 131 132 LEU N N 116.6 0.3 1 615 132 133 ILE H H 8.34 0.02 1 616 132 133 ILE C C 178.683 0.3 1 617 132 133 ILE CA C 64.82 0.3 1 618 132 133 ILE CB C 37.41 0.3 1 619 132 133 ILE N N 117.7 0.3 1 620 133 134 VAL H H 8.255 0.02 1 621 133 134 VAL C C 177.292 0.3 1 622 133 134 VAL CA C 67.54 0.3 1 623 133 134 VAL CB C 31.41 0.3 1 624 133 134 VAL N N 118.6 0.3 1 625 134 135 LEU H H 8.049 0.02 1 626 134 135 LEU C C 178.048 0.3 1 627 134 135 LEU CA C 58.67 0.3 1 628 134 135 LEU CB C 41.74 0.3 1 629 134 135 LEU N N 119.3 0.3 1 630 135 136 GLU H H 7.956 0.02 1 631 135 136 GLU C C 178.403 0.3 1 632 135 136 GLU CA C 60.8 0.3 1 633 135 136 GLU CB C 28.93 0.3 1 634 135 136 GLU N N 118.4 0.3 1 635 136 137 GLN H H 8.609 0.02 1 636 136 137 GLN C C 179.256 0.3 1 637 136 137 GLN CA C 58.28 0.3 1 638 136 137 GLN CB C 27.74 0.3 1 639 136 137 GLN N N 117.6 0.3 1 640 137 138 ILE H H 8.624 0.02 1 641 137 138 ILE C C 176.466 0.3 1 642 137 138 ILE CA C 66 0.3 1 643 137 138 ILE CB C 37.84 0.3 1 644 137 138 ILE N N 121.3 0.3 1 645 138 139 PHE H H 8.257 0.02 1 646 138 139 PHE C C 175.568 0.3 1 647 138 139 PHE CA C 61.09 0.3 1 648 138 139 PHE CB C 38.86 0.3 1 649 138 139 PHE N N 120.1 0.3 1 650 139 140 ARG H H 8.919 0.02 1 651 139 140 ARG C C 177.834 0.3 1 652 139 140 ARG CA C 59.51 0.3 1 653 139 140 ARG CB C 30.36 0.3 1 654 139 140 ARG N N 118.8 0.3 1 655 140 141 ALA H H 8.119 0.02 1 656 140 141 ALA C C 179.27 0.3 1 657 140 141 ALA CA C 55.33 0.3 1 658 140 141 ALA CB C 19.32 0.3 1 659 140 141 ALA N N 119.2 0.3 1 660 141 142 PHE H H 8.246 0.02 1 661 141 142 PHE C C 178.302 0.3 1 662 141 142 PHE CA C 61.92 0.3 1 663 141 142 PHE CB C 37.66 0.3 1 664 141 142 PHE N N 116.5 0.3 1 665 142 143 LYS H H 7.851 0.02 1 666 142 143 LYS C C 179.033 0.3 1 667 142 143 LYS CA C 59.88 0.3 1 668 142 143 LYS CB C 31.12 0.3 1 669 142 143 LYS N N 118.3 0.3 1 670 143 144 ILE H H 7.852 0.02 1 671 143 144 ILE C C 179.377 0.3 1 672 143 144 ILE CA C 64.92 0.3 1 673 143 144 ILE CB C 38.13 0.3 1 674 143 144 ILE N N 120.2 0.3 1 675 144 145 ILE H H 8.448 0.02 1 676 144 145 ILE C C 177.651 0.3 1 677 144 145 ILE CA C 64.94 0.3 1 678 144 145 ILE CB C 39.16 0.3 1 679 144 145 ILE N N 119.4 0.3 1 680 145 146 HIS H H 8.035 0.02 1 681 145 146 HIS C C 174.883 0.3 1 682 145 146 HIS CA C 56.34 0.3 1 683 145 146 HIS CB C 28.89 0.3 1 684 145 146 HIS N N 114.5 0.3 1 685 146 147 GLY H H 7.768 0.02 1 686 146 147 GLY C C 174.396 0.3 1 687 146 147 GLY CA C 46.38 0.3 1 688 146 147 GLY N N 109.3 0.3 1 689 147 148 GLU H H 8.448 0.02 1 690 147 148 GLU C C 176.11 0.3 1 691 147 148 GLU CA C 56.6 0.3 1 692 147 148 GLU CB C 30.54 0.3 1 693 147 148 GLU N N 119.4 0.3 1 694 148 149 ASN H H 8.34 0.02 1 695 148 149 ASN C C 174.642 0.3 1 696 148 149 ASN CA C 53.28 0.3 1 697 148 149 ASN CB C 39.98 0.3 1 698 148 149 ASN N N 118.3 0.3 1 699 149 150 TYR H H 7.897 0.02 1 700 149 150 TYR C C 175.071 0.3 1 701 149 150 TYR CA C 58.69 0.3 1 702 149 150 TYR CB C 39.03 0.3 1 703 149 150 TYR N N 121.1 0.3 1 704 150 151 HIS C C 173.826 0.3 1 705 150 151 HIS CA C 55.52 0.3 1 706 150 151 HIS CB C 30.01 0.3 1 707 151 152 TYR H H 7.913 0.02 1 708 151 152 TYR C C 175.369 0.3 1 709 151 152 TYR CA C 58.05 0.3 1 710 151 152 TYR CB C 38.94 0.3 1 711 151 152 TYR N N 122.4 0.3 1 712 152 153 GLU H H 8.302 0.02 1 713 152 153 GLU C C 176.409 0.3 1 714 152 153 GLU CA C 56.53 0.3 1 715 152 153 GLU CB C 30.44 0.3 1 716 152 153 GLU N N 123.9 0.3 1 717 153 154 GLY H H 7.707 0.02 1 718 153 154 GLY C C 174.474 0.3 1 719 153 154 GLY CA C 45.7 0.3 1 720 153 154 GLY N N 108.9 0.3 1 721 154 155 GLY H H 8.15 0.02 1 722 154 155 GLY C C 174.317 0.3 1 723 154 155 GLY CA C 45.64 0.3 1 724 154 155 GLY N N 108.3 0.3 1 725 155 156 SER H H 8.119 0.02 1 726 155 156 SER CA C 58.46 0.3 1 727 155 156 SER CB C 63.77 0.3 1 728 155 156 SER N N 115.5 0.3 1 stop_ save_