data_26876 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Backbone chemical shift assignments of N14D mutant of Vibrio cholerae peptidyl-tRNA hydrolase ; _BMRB_accession_number 26876 _BMRB_flat_file_name bmr26876.str _Entry_type original _Submission_date 2016-08-15 _Accession_date 2016-08-15 _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 Kabra Ashish . . 2 Shahid Salman . . 3 Arora Ashish . . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 180 "13C chemical shifts" 552 "15N chemical shifts" 180 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2017-02-16 original BMRB . stop_ loop_ _Related_BMRB_accession_number _Relationship 26875 'VcPth-H24N mutant' 26877 'VcPth-N72D mutant' 26878 'VcPth-N118D mutant' stop_ _Original_release_date 2016-08-15 save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full . _Citation_title ; Unraveling the stereochemical and dynamic aspects of the catalytic site of bacterial peptidyl-tRNA hydrolase ; _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 28096445 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Kabra Ashish . . 2 Shahid Salman . . 3 Pal Ravikant . . 4 Yadav Rahul . . 5 Pulavarti SVSRK . . 6 Jain Anupam . . 7 Tripathi Sarita . . 8 Arora Ashish . . stop_ _Journal_abbreviation RNA _Journal_volume 23 _Journal_issue 2 _Journal_ISSN 1469-9001 _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 202 _Page_last 216 _Year 2017 _Details . loop_ _Keyword 'Molecular dynamics' NMR 'peptidyl-tRNA hydrolase' stop_ save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name 'VcPth-N14D mutant' _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label 'VcPth-N14D mutant' $VcPth-N14D_mutant 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_VcPth-N14D_mutant _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common VcPth-N14D_mutant _Molecular_mass . _Mol_thiol_state 'not reported' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 199 _Mol_residue_sequence ; GAMVSQPIKLLVGLADPGPE YAKTRHNAGAWVVEELARIH NVTLKNEPKFFGLTGRLLIN SQELRVLIPTTFMNLSGKAI AALANFYQIKPEEIMVAHDE LDLPPGVAKFKQGGGHGGHN GLKDTISKLGNNKEFYRLRL GIGHPGHKDKVAGYVLGKAP AKEQECLDAAVDESVRCLEI LMKDGLTKAQNRLHTFKAE ; loop_ _Residue_seq_code _Residue_author_seq_code _Residue_label 1 -1 GLY 2 0 ALA 3 1 MET 4 2 VAL 5 3 SER 6 4 GLN 7 5 PRO 8 6 ILE 9 7 LYS 10 8 LEU 11 9 LEU 12 10 VAL 13 11 GLY 14 12 LEU 15 13 ALA 16 14 ASP 17 15 PRO 18 16 GLY 19 17 PRO 20 18 GLU 21 19 TYR 22 20 ALA 23 21 LYS 24 22 THR 25 23 ARG 26 24 HIS 27 25 ASN 28 26 ALA 29 27 GLY 30 28 ALA 31 29 TRP 32 30 VAL 33 31 VAL 34 32 GLU 35 33 GLU 36 34 LEU 37 35 ALA 38 36 ARG 39 37 ILE 40 38 HIS 41 39 ASN 42 40 VAL 43 41 THR 44 42 LEU 45 43 LYS 46 44 ASN 47 45 GLU 48 46 PRO 49 47 LYS 50 48 PHE 51 49 PHE 52 50 GLY 53 51 LEU 54 52 THR 55 53 GLY 56 54 ARG 57 55 LEU 58 56 LEU 59 57 ILE 60 58 ASN 61 59 SER 62 60 GLN 63 61 GLU 64 62 LEU 65 63 ARG 66 64 VAL 67 65 LEU 68 66 ILE 69 67 PRO 70 68 THR 71 69 THR 72 70 PHE 73 71 MET 74 72 ASN 75 73 LEU 76 74 SER 77 75 GLY 78 76 LYS 79 77 ALA 80 78 ILE 81 79 ALA 82 80 ALA 83 81 LEU 84 82 ALA 85 83 ASN 86 84 PHE 87 85 TYR 88 86 GLN 89 87 ILE 90 88 LYS 91 89 PRO 92 90 GLU 93 91 GLU 94 92 ILE 95 93 MET 96 94 VAL 97 95 ALA 98 96 HIS 99 97 ASP 100 98 GLU 101 99 LEU 102 100 ASP 103 101 LEU 104 102 PRO 105 103 PRO 106 104 GLY 107 105 VAL 108 106 ALA 109 107 LYS 110 108 PHE 111 109 LYS 112 110 GLN 113 111 GLY 114 112 GLY 115 113 GLY 116 114 HIS 117 115 GLY 118 116 GLY 119 117 HIS 120 118 ASN 121 119 GLY 122 120 LEU 123 121 LYS 124 122 ASP 125 123 THR 126 124 ILE 127 125 SER 128 126 LYS 129 127 LEU 130 128 GLY 131 129 ASN 132 130 ASN 133 131 LYS 134 132 GLU 135 133 PHE 136 134 TYR 137 135 ARG 138 136 LEU 139 137 ARG 140 138 LEU 141 139 GLY 142 140 ILE 143 141 GLY 144 142 HIS 145 143 PRO 146 144 GLY 147 145 HIS 148 146 LYS 149 147 ASP 150 148 LYS 151 149 VAL 152 150 ALA 153 151 GLY 154 152 TYR 155 153 VAL 156 154 LEU 157 155 GLY 158 156 LYS 159 157 ALA 160 158 PRO 161 159 ALA 162 160 LYS 163 161 GLU 164 162 GLN 165 163 GLU 166 164 CYS 167 165 LEU 168 166 ASP 169 167 ALA 170 168 ALA 171 169 VAL 172 170 ASP 173 171 GLU 174 172 SER 175 173 VAL 176 174 ARG 177 175 CYS 178 176 LEU 179 177 GLU 180 178 ILE 181 179 LEU 182 180 MET 183 181 LYS 184 182 ASP 185 183 GLY 186 184 LEU 187 185 THR 188 186 LYS 189 187 ALA 190 188 GLN 191 189 ASN 192 190 ARG 193 191 LEU 194 192 HIS 195 193 THR 196 194 PHE 197 195 LYS 198 196 ALA 199 197 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 _Strain $VcPth-N14D_mutant g-proteobacteria 666 Bacteria . Vibrio cholerae 'El Tor' 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 $VcPth-N14D_mutant 'recombinant technology' . Escherichia coli BL21 pET-NH6 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 $VcPth-N14D_mutant . mM 0.5 1.0 '[U-100% 15N]' DTT 1 mM . . 'natural abundance' 'sodium azide' 0.1 % . . 'natural abundance' 'sodium chloride' 50 mM . . 'natural abundance' 'sodium phosphate' 20 mM . . 'natural abundance' H2O 95 % . . 'natural abundance' D2O 5 % . . 'natural abundance' stop_ save_ save_sample_2 _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Concentration_min_value _Concentration_max_value _Isotopic_labeling $VcPth-N14D_mutant . mM 0.8 1.0 '[U-100% 13C; U-100% 15N]' DTT 1 mM . . 'natural abundance' 'sodium azide' 0.1 % . . 'natural abundance' 'sodium chloride' 50 mM . . 'natural abundance' 'sodium phosphate' 20 mM . . 'natural abundance' H2O 95 % . . 'natural abundance' D2O 5 % . . '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_CARA _Saveframe_category software _Name CARA _Version . loop_ _Vendor _Address _Electronic_address 'Keller and Wuthrich' . . 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 600 _Details . save_ save_spectrometer_2 _Saveframe_category NMR_spectrometer _Manufacturer Agilent _Model DD2 _Field_strength 700 _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-15N_HSQC_2 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-15N HSQC' _Sample_label $sample_1 save_ save_2D_1H-15N_HSQC_3 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-15N HSQC' _Sample_label $sample_2 save_ save_2D_1H-15N_HSQC_4 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-15N HSQC' _Sample_label $sample_2 save_ save_3D_HNCO_5 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCO' _Sample_label $sample_2 save_ save_3D_HNCA_6 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCA' _Sample_label $sample_2 save_ save_3D_HNCACB_7 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCACB' _Sample_label $sample_2 save_ save_3D_CBCA(CO)NH_8 _Saveframe_category NMR_applied_experiment _Experiment_name '3D CBCA(CO)NH' _Sample_label $sample_2 save_ save_3D_HN(CA)CO_9 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HN(CA)CO' _Sample_label $sample_2 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 273 . K stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference_1 _Saveframe_category chemical_shift_reference _Details . loop_ _Mol_common_name _Atom_type _Atom_isotope_number _Atom_group _Chem_shift_units _Chem_shift_value _Reference_method _Reference_type _External_reference_sample_geometry _External_reference_location _External_reference_axis _Indirect_shift_ratio DSS C 13 'methyl protons' ppm 0.00 na indirect . . . 0.251449530 DSS H 1 'methyl protons' ppm 0.00 internal direct . . . 1.000000000 DSS N 15 'methyl protons' ppm 0.00 na indirect . . . 0.101329118 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_assigned_chem_shift_list_1 _Saveframe_category assigned_chemical_shifts _Details . loop_ _Experiment_label '2D 1H-15N HSQC' '3D HNCO' '3D HNCA' '3D HNCACB' '3D CBCA(CO)NH' '3D HN(CA)CO' stop_ loop_ _Sample_label $sample_1 $sample_2 stop_ _Sample_conditions_label $sample_conditions_1 _Chem_shift_reference_set_label $chemical_shift_reference_1 _Mol_system_component_name 'VcPth-N14D mutant' _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 3 MET H H 8.485 0.020 1 2 1 3 MET C C 176.083 0.3 1 3 1 3 MET CA C 55.592 0.3 1 4 1 3 MET CB C 32.913 0.3 1 5 1 3 MET N N 120.474 0.3 1 6 2 4 VAL H H 8.235 0.020 1 7 2 4 VAL C C 175.782 0.3 1 8 2 4 VAL CA C 62.167 0.3 1 9 2 4 VAL CB C 33.109 0.3 1 10 2 4 VAL N N 122.285 0.3 1 11 3 5 SER H H 8.359 0.020 1 12 3 5 SER C C 173.607 0.3 1 13 3 5 SER CA C 58.253 0.3 1 14 3 5 SER CB C 63.811 0.3 1 15 3 5 SER N N 119.848 0.3 1 16 4 6 GLN H H 8.393 0.020 1 17 4 6 GLN C C 173.825 0.3 1 18 4 6 GLN CA C 53.478 0.3 1 19 4 6 GLN CB C 29.369 0.3 1 20 4 6 GLN N N 123.727 0.3 1 21 5 7 PRO C C 176.374 0.3 1 22 5 7 PRO CA C 64.328 0.3 1 23 5 7 PRO CB C 32.547 0.3 1 24 6 8 ILE H H 7.720 0.020 1 25 6 8 ILE C C 175.577 0.3 1 26 6 8 ILE CA C 58.869 0.3 1 27 6 8 ILE CB C 38.414 0.3 1 28 6 8 ILE N N 114.023 0.3 1 29 7 9 LYS H H 9.471 0.020 1 30 7 9 LYS C C 175.898 0.3 1 31 7 9 LYS CA C 56.766 0.3 1 32 7 9 LYS CB C 37.281 0.3 1 33 7 9 LYS N N 121.741 0.3 1 34 8 10 LEU H H 7.545 0.020 1 35 8 10 LEU C C 171.694 0.3 1 36 8 10 LEU CA C 53.246 0.3 1 37 8 10 LEU CB C 45.875 0.3 1 38 8 10 LEU N N 122.656 0.3 1 39 9 11 LEU H H 8.905 0.020 1 40 9 11 LEU C C 173.438 0.3 1 41 9 11 LEU CA C 53.063 0.3 1 42 9 11 LEU CB C 45.563 0.3 1 43 9 11 LEU N N 128.882 0.3 1 44 10 12 VAL H H 9.283 0.020 1 45 10 12 VAL C C 174.499 0.3 1 46 10 12 VAL CA C 58.880 0.3 1 47 10 12 VAL CB C 35.250 0.3 1 48 10 12 VAL N N 126.548 0.3 1 49 11 13 GLY H H 8.750 0.020 1 50 11 13 GLY C C 171.073 0.3 1 51 11 13 GLY CA C 45.172 0.3 1 52 11 13 GLY N N 115.432 0.3 1 53 12 14 LEU H H 7.286 0.020 1 54 12 14 LEU C C 176.624 0.3 1 55 12 14 LEU CA C 52.277 0.3 1 56 12 14 LEU CB C 24.403 0.3 1 57 12 14 LEU N N 119.123 0.3 1 58 13 15 ALA H H 8.732 0.020 1 59 13 15 ALA C C 177.167 0.3 1 60 13 15 ALA CA C 52.214 0.3 1 61 13 15 ALA CB C 43.015 0.3 1 62 13 15 ALA N N 120.732 0.3 1 63 17 19 PRO C C 178.696 0.3 1 64 17 19 PRO CA C 64.985 0.3 1 65 17 19 PRO CB C 31.874 0.3 1 66 18 20 GLU H H 9.460 0.020 1 67 18 20 GLU C C 177.807 0.3 1 68 18 20 GLU CA C 58.623 0.3 1 69 18 20 GLU CB C 28.377 0.3 1 70 18 20 GLU N N 118.470 0.3 1 71 19 21 TYR H H 7.116 0.020 1 72 19 21 TYR C C 176.878 0.3 1 73 19 21 TYR CA C 57.668 0.3 1 74 19 21 TYR CB C 39.332 0.3 1 75 19 21 TYR N N 113.306 0.3 1 76 20 22 ALA H H 7.432 0.020 1 77 20 22 ALA C C 178.277 0.3 1 78 20 22 ALA CA C 55.350 0.3 1 79 20 22 ALA CB C 19.347 0.3 1 80 20 22 ALA N N 123.587 0.3 1 81 21 23 LYS H H 8.763 0.020 1 82 21 23 LYS C C 176.260 0.3 1 83 21 23 LYS CA C 55.133 0.3 1 84 21 23 LYS CB C 31.673 0.3 1 85 21 23 LYS N N 115.758 0.3 1 86 22 24 THR H H 7.852 0.020 1 87 22 24 THR C C 175.243 0.3 1 88 22 24 THR CA C 61.628 0.3 1 89 22 24 THR CB C 71.032 0.3 1 90 22 24 THR N N 112.484 0.3 1 91 23 25 ARG H H 8.258 0.020 1 92 23 25 ARG C C 176.954 0.3 1 93 23 25 ARG CA C 60.465 0.3 1 94 23 25 ARG CB C 31.382 0.3 1 95 23 25 ARG N N 119.383 0.3 1 96 24 26 HIS H H 7.951 0.020 1 97 24 26 HIS C C 172.984 0.3 1 98 24 26 HIS CA C 53.679 0.3 1 99 24 26 HIS CB C 28.823 0.3 1 100 24 26 HIS N N 112.848 0.3 1 101 25 27 ASN H H 7.499 0.020 1 102 25 27 ASN C C 174.770 0.3 1 103 25 27 ASN CA C 52.148 0.3 1 104 25 27 ASN CB C 38.459 0.3 1 105 25 27 ASN N N 114.493 0.3 1 106 26 28 ALA H H 6.896 0.020 1 107 26 28 ALA C C 178.223 0.3 1 108 26 28 ALA CA C 54.067 0.3 1 109 26 28 ALA CB C 18.410 0.3 1 110 26 28 ALA N N 119.805 0.3 1 111 27 29 GLY H H 8.937 0.020 1 112 27 29 GLY C C 176.297 0.3 1 113 27 29 GLY CA C 46.990 0.3 1 114 27 29 GLY N N 100.440 0.3 1 115 28 30 ALA H H 7.094 0.020 1 116 28 30 ALA C C 179.259 0.3 1 117 28 30 ALA CA C 55.592 0.3 1 118 28 30 ALA CB C 18.332 0.3 1 119 28 30 ALA N N 122.723 0.3 1 120 29 31 TRP H H 7.599 0.020 1 121 29 31 TRP C C 180.041 0.3 1 122 29 31 TRP CA C 57.654 0.3 1 123 29 31 TRP CB C 28.765 0.3 1 124 29 31 TRP N N 117.805 0.3 1 125 30 32 VAL H H 7.267 0.020 1 126 30 32 VAL C C 176.654 0.3 1 127 30 32 VAL CA C 66.030 0.3 1 128 30 32 VAL CB C 32.030 0.3 1 129 30 32 VAL N N 116.158 0.3 1 130 31 33 VAL H H 6.852 0.020 1 131 31 33 VAL C C 177.075 0.3 1 132 31 33 VAL CA C 67.349 0.3 1 133 31 33 VAL CB C 31.639 0.3 1 134 31 33 VAL N N 118.417 0.3 1 135 32 34 GLU H H 8.944 0.020 1 136 32 34 GLU C C 179.714 0.3 1 137 32 34 GLU CA C 60.054 0.3 1 138 32 34 GLU CB C 30.073 0.3 1 139 32 34 GLU N N 117.657 0.3 1 140 33 35 GLU H H 8.002 0.020 1 141 33 35 GLU C C 177.642 0.3 1 142 33 35 GLU CA C 58.526 0.3 1 143 33 35 GLU CB C 28.668 0.3 1 144 33 35 GLU N N 119.923 0.3 1 145 34 36 LEU H H 8.258 0.020 1 146 34 36 LEU C C 178.429 0.3 1 147 34 36 LEU CA C 58.531 0.3 1 148 34 36 LEU CB C 42.441 0.3 1 149 34 36 LEU N N 120.750 0.3 1 150 35 37 ALA H H 8.408 0.020 1 151 35 37 ALA C C 178.971 0.3 1 152 35 37 ALA CA C 55.850 0.3 1 153 35 37 ALA CB C 17.157 0.3 1 154 35 37 ALA N N 118.344 0.3 1 155 36 38 ARG H H 8.068 0.020 1 156 36 38 ARG C C 181.422 0.3 1 157 36 38 ARG CA C 59.819 0.3 1 158 36 38 ARG CB C 30.413 0.3 1 159 36 38 ARG N N 118.911 0.3 1 160 37 39 ILE H H 8.398 0.020 1 161 37 39 ILE C C 177.351 0.3 1 162 37 39 ILE CA C 64.359 0.3 1 163 37 39 ILE CB C 38.214 0.3 1 164 37 39 ILE N N 118.786 0.3 1 165 38 40 HIS H H 7.431 0.020 1 166 38 40 HIS C C 173.135 0.3 1 167 38 40 HIS CA C 56.986 0.3 1 168 38 40 HIS CB C 29.637 0.3 1 169 38 40 HIS N N 116.236 0.3 1 170 39 41 ASN H H 7.936 0.020 1 171 39 41 ASN C C 174.102 0.3 1 172 39 41 ASN CA C 54.653 0.3 1 173 39 41 ASN CB C 37.353 0.3 1 174 39 41 ASN N N 116.916 0.3 1 175 40 42 VAL H H 8.561 0.020 1 176 40 42 VAL C C 175.361 0.3 1 177 40 42 VAL CA C 61.776 0.3 1 178 40 42 VAL CB C 34.222 0.3 1 179 40 42 VAL N N 119.916 0.3 1 180 41 43 THR H H 8.587 0.020 1 181 41 43 THR C C 174.102 0.3 1 182 41 43 THR CA C 61.776 0.3 1 183 41 43 THR CB C 69.525 0.3 1 184 41 43 THR N N 123.968 0.3 1 185 42 44 LEU H H 8.786 0.020 1 186 42 44 LEU C C 175.993 0.3 1 187 42 44 LEU CA C 54.809 0.3 1 188 42 44 LEU CB C 41.893 0.3 1 189 42 44 LEU N N 128.476 0.3 1 190 43 45 LYS H H 8.721 0.020 1 191 43 45 LYS C C 175.572 0.3 1 192 43 45 LYS CA C 54.496 0.3 1 193 43 45 LYS CB C 35.944 0.3 1 194 43 45 LYS N N 122.188 0.3 1 195 44 46 ASN H H 8.902 0.020 1 196 44 46 ASN C C 174.700 0.3 1 197 44 46 ASN CA C 54.484 0.3 1 198 44 46 ASN CB C 38.840 0.3 1 199 44 46 ASN N N 123.040 0.3 1 200 45 47 GLU H H 8.679 0.020 1 201 45 47 GLU C C 173.731 0.3 1 202 45 47 GLU CA C 53.244 0.3 1 203 45 47 GLU CB C 31.639 0.3 1 204 45 47 GLU N N 128.989 0.3 1 205 46 48 PRO C C 175.241 0.3 1 206 46 48 PRO CA C 64.985 0.3 1 207 46 48 PRO CB C 32.030 0.3 1 208 47 49 LYS H H 8.252 0.020 1 209 47 49 LYS C C 174.971 0.3 1 210 47 49 LYS CA C 57.862 0.3 1 211 47 49 LYS CB C 31.285 0.3 1 212 47 49 LYS N N 115.703 0.3 1 213 48 50 PHE H H 7.407 0.020 1 214 48 50 PHE C C 172.810 0.3 1 215 48 50 PHE CA C 53.776 0.3 1 216 48 50 PHE CB C 39.701 0.3 1 217 48 50 PHE N N 114.688 0.3 1 218 49 51 PHE H H 6.935 0.020 1 219 49 51 PHE C C 175.298 0.3 1 220 49 51 PHE CA C 58.019 0.3 1 221 49 51 PHE CB C 36.431 0.3 1 222 49 51 PHE N N 110.320 0.3 1 223 50 52 GLY H H 6.831 0.020 1 224 50 52 GLY C C 170.845 0.3 1 225 50 52 GLY CA C 47.087 0.3 1 226 50 52 GLY N N 136.846 0.3 1 227 51 53 LEU H H 8.697 0.020 1 228 51 53 LEU C C 177.242 0.3 1 229 51 53 LEU CA C 53.097 0.3 1 230 51 53 LEU CB C 44.163 0.3 1 231 51 53 LEU N N 119.367 0.3 1 232 52 54 THR H H 9.214 0.020 1 233 52 54 THR C C 173.886 0.3 1 234 52 54 THR CA C 59.036 0.3 1 235 52 54 THR CB C 72.578 0.3 1 236 52 54 THR N N 112.500 0.3 1 237 53 55 GLY H H 7.879 0.020 1 238 53 55 GLY C C 171.545 0.3 1 239 53 55 GLY CA C 45.024 0.3 1 240 53 55 GLY N N 106.070 0.3 1 241 54 56 ARG H H 8.598 0.020 1 242 54 56 ARG C C 172.735 0.3 1 243 54 56 ARG CA C 55.749 0.3 1 244 54 56 ARG CB C 32.813 0.3 1 245 54 56 ARG N N 122.231 0.3 1 246 55 57 LEU H H 8.981 0.020 1 247 55 57 LEU C C 174.011 0.3 1 248 55 57 LEU CA C 54.105 0.3 1 249 55 57 LEU CB C 44.242 0.3 1 250 55 57 LEU N N 125.377 0.3 1 251 56 58 LEU H H 8.407 0.020 1 252 56 58 LEU C C 176.323 0.3 1 253 56 58 LEU CA C 53.688 0.3 1 254 56 58 LEU CB C 43.306 0.3 1 255 56 58 LEU N N 123.554 0.3 1 256 57 59 ILE H H 8.608 0.020 1 257 57 59 ILE C C 175.629 0.3 1 258 57 59 ILE CA C 60.132 0.3 1 259 57 59 ILE CB C 40.107 0.3 1 260 57 59 ILE N N 123.813 0.3 1 261 58 60 ASN H H 9.471 0.020 1 262 58 60 ASN C C 174.976 0.3 1 263 58 60 ASN CA C 54.746 0.3 1 264 58 60 ASN CB C 37.745 0.3 1 265 58 60 ASN N N 127.418 0.3 1 266 59 61 SER H H 8.655 0.020 1 267 59 61 SER C C 172.656 0.3 1 268 59 61 SER CA C 60.445 0.3 1 269 59 61 SER CB C 62.246 0.3 1 270 59 61 SER N N 107.013 0.3 1 271 60 62 GLN H H 7.928 0.020 1 272 60 62 GLN C C 174.219 0.3 1 273 60 62 GLN CA C 54.183 0.3 1 274 60 62 GLN CB C 31.169 0.3 1 275 60 62 GLN N N 120.840 0.3 1 276 61 63 GLU H H 8.612 0.020 1 277 61 63 GLU C C 174.932 0.3 1 278 61 63 GLU CA C 55.827 0.3 1 279 61 63 GLU CB C 31.639 0.3 1 280 61 63 GLU N N 122.500 0.3 1 281 62 64 LEU H H 9.134 0.020 1 282 62 64 LEU C C 175.602 0.3 1 283 62 64 LEU CA C 53.582 0.3 1 284 62 64 LEU CB C 45.416 0.3 1 285 62 64 LEU N N 129.349 0.3 1 286 63 65 ARG H H 7.795 0.020 1 287 63 65 ARG C C 174.998 0.3 1 288 63 65 ARG CA C 55.983 0.3 1 289 63 65 ARG CB C 31.013 0.3 1 290 63 65 ARG N N 125.556 0.3 1 291 64 66 VAL H H 8.194 0.020 1 292 64 66 VAL C C 174.400 0.3 1 293 64 66 VAL CA C 57.784 0.3 1 294 64 66 VAL CB C 34.927 0.3 1 295 64 66 VAL N N 112.754 0.3 1 296 65 67 LEU H H 8.209 0.020 1 297 65 67 LEU C C 174.588 0.3 1 298 65 67 LEU CA C 53.557 0.3 1 299 65 67 LEU CB C 47.686 0.3 1 300 65 67 LEU N N 122.460 0.3 1 301 66 68 ILE H H 9.125 0.020 1 302 66 68 ILE C C 173.861 0.3 1 303 66 68 ILE CA C 58.567 0.3 1 304 66 68 ILE CB C 41.815 0.3 1 305 66 68 ILE N N 126.943 0.3 1 306 67 69 PRO C C 176.951 0.3 1 307 67 69 PRO CA C 63.203 0.3 1 308 67 69 PRO CB C 32.597 0.3 1 309 68 70 THR H H 9.557 0.020 1 310 68 70 THR C C 174.807 0.3 1 311 68 70 THR CA C 60.445 0.3 1 312 68 70 THR CB C 67.639 0.3 1 313 68 70 THR N N 113.920 0.3 1 314 69 71 THR H H 7.001 0.020 1 315 69 71 THR C C 175.897 0.3 1 316 69 71 THR CA C 61.144 0.3 1 317 69 71 THR CB C 71.013 0.3 1 318 69 71 THR N N 111.122 0.3 1 319 70 72 PHE H H 7.815 0.020 1 320 70 72 PHE C C 179.350 0.3 1 321 70 72 PHE CA C 60.614 0.3 1 322 70 72 PHE CB C 38.653 0.3 1 323 70 72 PHE N N 114.068 0.3 1 324 71 73 MET H H 9.644 0.020 1 325 71 73 MET C C 179.677 0.3 1 326 71 73 MET CA C 58.623 0.3 1 327 71 73 MET CB C 32.016 0.3 1 328 71 73 MET N N 124.581 0.3 1 329 72 74 ASN H H 8.737 0.020 1 330 72 74 ASN C C 173.353 0.3 1 331 72 74 ASN CA C 54.649 0.3 1 332 72 74 ASN CB C 36.862 0.3 1 333 72 74 ASN N N 115.223 0.3 1 334 73 75 LEU H H 7.553 0.020 1 335 73 75 LEU C C 178.005 0.3 1 336 73 75 LEU CA C 53.870 0.3 1 337 73 75 LEU CB C 43.537 0.3 1 338 73 75 LEU N N 118.641 0.3 1 339 74 76 SER H H 7.573 0.020 1 340 74 76 SER C C 175.861 0.3 1 341 74 76 SER CA C 63.394 0.3 1 342 74 76 SER CB C 65.603 0.3 1 343 74 76 SER N N 114.482 0.3 1 344 75 77 GLY H H 9.957 0.020 1 345 75 77 GLY C C 175.061 0.3 1 346 75 77 GLY CA C 48.056 0.3 1 347 75 77 GLY N N 108.604 0.3 1 348 76 78 LYS H H 7.994 0.020 1 349 76 78 LYS C C 178.968 0.3 1 350 76 78 LYS CA C 59.271 0.3 1 351 76 78 LYS CB C 32.813 0.3 1 352 76 78 LYS N N 120.139 0.3 1 353 77 79 ALA H H 6.850 0.020 1 354 77 79 ALA C C 177.463 0.3 1 355 77 79 ALA CA C 55.168 0.3 1 356 77 79 ALA CB C 20.758 0.3 1 357 77 79 ALA N N 121.643 0.3 1 358 78 80 ILE H H 7.167 0.020 1 359 78 80 ILE C C 177.045 0.3 1 360 78 80 ILE CA C 65.846 0.3 1 361 78 80 ILE CB C 39.154 0.3 1 362 78 80 ILE N N 115.616 0.3 1 363 79 81 ALA H H 8.638 0.020 1 364 79 81 ALA C C 179.419 0.3 1 365 79 81 ALA CA C 54.939 0.3 1 366 79 81 ALA CB C 18.101 0.3 1 367 79 81 ALA N N 118.015 0.3 1 368 80 82 ALA H H 7.516 0.020 1 369 80 82 ALA C C 180.768 0.3 1 370 80 82 ALA CA C 55.592 0.3 1 371 80 82 ALA CB C 18.723 0.3 1 372 80 82 ALA N N 118.840 0.3 1 373 81 83 LEU H H 7.940 0.020 1 374 81 83 LEU C C 178.862 0.3 1 375 81 83 LEU CA C 59.271 0.3 1 376 81 83 LEU CB C 42.598 0.3 1 377 81 83 LEU N N 119.919 0.3 1 378 82 84 ALA H H 8.886 0.020 1 379 82 84 ALA C C 180.201 0.3 1 380 82 84 ALA CA C 56.140 0.3 1 381 82 84 ALA CB C 17.236 0.3 1 382 82 84 ALA N N 120.840 0.3 1 383 83 85 ASN H H 8.671 0.020 1 384 83 85 ASN C C 178.213 0.3 1 385 83 85 ASN CA C 55.827 0.3 1 386 83 85 ASN CB C 38.371 0.3 1 387 83 85 ASN N N 113.908 0.3 1 388 84 86 PHE H H 7.633 0.020 1 389 84 86 PHE C C 177.075 0.3 1 390 84 86 PHE CA C 62.089 0.3 1 391 84 86 PHE CB C 40.107 0.3 1 392 84 86 PHE N N 121.228 0.3 1 393 85 87 TYR H H 7.561 0.020 1 394 85 87 TYR C C 173.825 0.3 1 395 85 87 TYR CA C 59.193 0.3 1 396 85 87 TYR CB C 38.919 0.3 1 397 85 87 TYR N N 112.834 0.3 1 398 86 88 GLN H H 7.696 0.020 1 399 86 88 GLN C C 174.675 0.3 1 400 86 88 GLN CA C 57.236 0.3 1 401 86 88 GLN CB C 25.846 0.3 1 402 86 88 GLN N N 117.550 0.3 1 403 87 89 ILE H H 8.803 0.020 1 404 87 89 ILE C C 175.597 0.3 1 405 87 89 ILE CA C 61.619 0.3 1 406 87 89 ILE CB C 40.484 0.3 1 407 87 89 ILE N N 122.091 0.3 1 408 88 90 LYS H H 8.958 0.020 1 409 88 90 LYS C C 175.715 0.3 1 410 88 90 LYS CA C 54.887 0.3 1 411 88 90 LYS CB C 31.639 0.3 1 412 88 90 LYS N N 128.659 0.3 1 413 89 91 PRO C C 176.684 0.3 1 414 89 91 PRO CA C 66.297 0.3 1 415 89 91 PRO CB C 31.703 0.3 1 416 90 92 GLU H H 9.327 0.020 1 417 90 92 GLU C C 176.203 0.3 1 418 90 92 GLU CA C 59.036 0.3 1 419 90 92 GLU CB C 28.508 0.3 1 420 90 92 GLU N N 111.206 0.3 1 421 91 93 GLU H H 8.094 0.020 1 422 91 93 GLU C C 175.271 0.3 1 423 91 93 GLU CA C 54.653 0.3 1 424 91 93 GLU CB C 30.856 0.3 1 425 91 93 GLU N N 116.159 0.3 1 426 92 94 ILE H H 8.030 0.020 1 427 92 94 ILE C C 173.768 0.3 1 428 92 94 ILE CA C 60.837 0.3 1 429 92 94 ILE CB C 40.171 0.3 1 430 92 94 ILE N N 122.707 0.3 1 431 93 95 MET H H 9.172 0.020 1 432 93 95 MET C C 173.669 0.3 1 433 93 95 MET CA C 53.322 0.3 1 434 93 95 MET CB C 36.570 0.3 1 435 93 95 MET N N 125.362 0.3 1 436 94 96 VAL H H 9.361 0.020 1 437 94 96 VAL C C 174.580 0.3 1 438 94 96 VAL CA C 61.306 0.3 1 439 94 96 VAL CB C 33.518 0.3 1 440 94 96 VAL N N 128.359 0.3 1 441 95 97 ALA H H 10.029 0.020 1 442 95 97 ALA C C 175.869 0.3 1 443 95 97 ALA CA C 50.092 0.3 1 444 95 97 ALA CB C 20.210 0.3 1 445 95 97 ALA N N 132.541 0.3 1 446 96 98 HIS H H 8.905 0.020 1 447 96 98 HIS C C 171.499 0.3 1 448 96 98 HIS CA C 53.986 0.3 1 449 96 98 HIS CB C 32.643 0.3 1 450 96 98 HIS N N 118.841 0.3 1 451 97 99 ASP H H 10.556 0.020 1 452 97 99 ASP C C 177.860 0.3 1 453 97 99 ASP CA C 53.635 0.3 1 454 97 99 ASP CB C 39.913 0.3 1 455 97 99 ASP N N 116.001 0.3 1 456 98 100 GLU H H 9.137 0.020 1 457 98 100 GLU C C 175.031 0.3 1 458 98 100 GLU CA C 53.986 0.3 1 459 98 100 GLU CB C 33.439 0.3 1 460 98 100 GLU N N 127.291 0.3 1 461 99 101 LEU H H 8.643 0.020 1 462 99 101 LEU C C 178.042 0.3 1 463 99 101 LEU CA C 57.168 0.3 1 464 99 101 LEU CB C 44.179 0.3 1 465 99 101 LEU N N 132.640 0.3 1 466 100 102 ASP H H 9.191 0.020 1 467 100 102 ASP C C 175.220 0.3 1 468 100 102 ASP CA C 54.966 0.3 1 469 100 102 ASP CB C 40.876 0.3 1 470 100 102 ASP N N 114.180 0.3 1 471 101 103 LEU H H 7.391 0.020 1 472 101 103 LEU C C 172.626 0.3 1 473 101 103 LEU CA C 51.532 0.3 1 474 101 103 LEU CB C 45.338 0.3 1 475 101 103 LEU N N 119.849 0.3 1 476 103 105 PRO C C 178.548 0.3 1 477 103 105 PRO CA C 62.922 0.3 1 478 103 105 PRO CB C 31.422 0.3 1 479 104 106 GLY H H 9.816 0.020 1 480 104 106 GLY C C 172.044 0.3 1 481 104 106 GLY CA C 45.633 0.3 1 482 104 106 GLY N N 113.871 0.3 1 483 105 107 VAL H H 7.520 0.020 1 484 105 107 VAL C C 174.661 0.3 1 485 105 107 VAL CA C 60.523 0.3 1 486 105 107 VAL CB C 34.582 0.3 1 487 105 107 VAL N N 116.328 0.3 1 488 106 108 ALA H H 9.450 0.020 1 489 106 108 ALA C C 175.076 0.3 1 490 106 108 ALA CA C 51.521 0.3 1 491 106 108 ALA CB C 23.733 0.3 1 492 106 108 ALA N N 129.815 0.3 1 493 107 109 LYS H H 8.122 0.020 1 494 107 109 LYS C C 176.262 0.3 1 495 107 109 LYS CA C 54.574 0.3 1 496 107 109 LYS CB C 39.332 0.3 1 497 107 109 LYS N N 113.863 0.3 1 498 108 110 PHE H H 11.631 0.020 1 499 108 110 PHE C C 177.946 0.3 1 500 108 110 PHE CA C 56.394 0.3 1 501 108 110 PHE CB C 41.949 0.3 1 502 108 110 PHE N N 122.847 0.3 1 503 109 111 LYS H H 9.266 0.020 1 504 109 111 LYS C C 173.309 0.3 1 505 109 111 LYS CA C 56.218 0.3 1 506 109 111 LYS CB C 38.449 0.3 1 507 109 111 LYS N N 122.777 0.3 1 508 110 112 GLN H H 8.906 0.020 1 509 110 112 GLN C C 175.220 0.3 1 510 110 112 GLN CA C 55.668 0.3 1 511 110 112 GLN CB C 29.447 0.3 1 512 110 112 GLN N N 127.097 0.3 1 513 111 113 GLY H H 7.184 0.020 1 514 111 113 GLY C C 171.681 0.3 1 515 111 113 GLY CA C 44.567 0.3 1 516 111 113 GLY N N 113.944 0.3 1 517 112 114 GLY H H 7.630 0.020 1 518 112 114 GLY C C 174.820 0.3 1 519 112 114 GLY CA C 43.209 0.3 1 520 112 114 GLY N N 102.443 0.3 1 521 113 115 GLY H H 8.076 0.020 1 522 113 115 GLY C C 174.823 0.3 1 523 113 115 GLY CA C 44.664 0.3 1 524 113 115 GLY N N 104.196 0.3 1 525 114 116 HIS H H 7.443 0.020 1 526 114 116 HIS C C 177.853 0.3 1 527 114 116 HIS CA C 55.133 0.3 1 528 114 116 HIS CB C 31.738 0.3 1 529 114 116 HIS N N 114.121 0.3 1 530 115 117 GLY H H 8.460 0.020 1 531 115 117 GLY C C 175.400 0.3 1 532 115 117 GLY CA C 47.087 0.3 1 533 115 117 GLY N N 112.106 0.3 1 534 116 118 GLY H H 11.119 0.020 1 535 116 118 GLY C C 174.102 0.3 1 536 116 118 GLY CA C 44.954 0.3 1 537 116 118 GLY N N 112.753 0.3 1 538 117 119 HIS H H 8.253 0.020 1 539 117 119 HIS C C 177.133 0.3 1 540 117 119 HIS CA C 57.668 0.3 1 541 117 119 HIS CB C 32.422 0.3 1 542 117 119 HIS N N 124.663 0.3 1 543 118 120 ASN C C 178.430 0.3 1 544 118 120 ASN CA C 56.592 0.3 1 545 118 120 ASN CB C 37.490 0.3 1 546 119 121 GLY H H 9.471 0.020 1 547 119 121 GLY C C 177.097 0.3 1 548 119 121 GLY CA C 47.087 0.3 1 549 119 121 GLY N N 112.730 0.3 1 550 120 122 LEU H H 8.465 0.020 1 551 120 122 LEU C C 178.769 0.3 1 552 120 122 LEU CA C 58.031 0.3 1 553 120 122 LEU CB C 42.833 0.3 1 554 120 122 LEU N N 125.946 0.3 1 555 121 123 LYS H H 8.743 0.020 1 556 121 123 LYS C C 178.805 0.3 1 557 121 123 LYS CA C 60.837 0.3 1 558 121 123 LYS CB C 33.204 0.3 1 559 121 123 LYS N N 119.788 0.3 1 560 122 124 ASP H H 7.265 0.020 1 561 122 124 ASP C C 178.107 0.3 1 562 122 124 ASP CA C 58.175 0.3 1 563 122 124 ASP CB C 43.694 0.3 1 564 122 124 ASP N N 117.288 0.3 1 565 123 125 THR H H 7.663 0.020 1 566 123 125 THR C C 174.696 0.3 1 567 123 125 THR CA C 69.212 0.3 1 568 123 125 THR CB C 67.803 0.3 1 569 123 125 THR N N 116.613 0.3 1 570 124 126 ILE H H 8.083 0.020 1 571 124 126 ILE C C 179.051 0.3 1 572 124 126 ILE CA C 65.424 0.3 1 573 124 126 ILE CB C 40.204 0.3 1 574 124 126 ILE N N 118.672 0.3 1 575 125 127 SER H H 7.378 0.020 1 576 125 127 SER C C 178.623 0.3 1 577 125 127 SER CA C 61.619 0.3 1 578 125 127 SER CB C 63.263 0.3 1 579 125 127 SER N N 111.050 0.3 1 580 126 128 LYS H H 8.497 0.020 1 581 126 128 LYS C C 178.249 0.3 1 582 126 128 LYS CA C 57.850 0.3 1 583 126 128 LYS CB C 31.964 0.3 1 584 126 128 LYS N N 119.495 0.3 1 585 127 129 LEU H H 7.776 0.020 1 586 127 129 LEU C C 176.627 0.3 1 587 127 129 LEU CA C 54.358 0.3 1 588 127 129 LEU CB C 40.530 0.3 1 589 127 129 LEU N N 119.659 0.3 1 590 128 130 GLY H H 7.765 0.020 1 591 128 130 GLY C C 179.187 0.3 1 592 128 130 GLY CA C 47.305 0.3 1 593 128 130 GLY N N 107.768 0.3 1 594 129 131 ASN H H 8.233 0.020 1 595 129 131 ASN C C 175.061 0.3 1 596 129 131 ASN CA C 54.261 0.3 1 597 129 131 ASN CB C 37.040 0.3 1 598 129 131 ASN N N 115.903 0.3 1 599 131 133 LYS C C 178.450 0.3 1 600 131 133 LYS CA C 55.670 0.3 1 601 131 133 LYS CB C 33.204 0.3 1 602 132 134 GLU H H 8.685 0.020 1 603 132 134 GLU C C 175.318 0.3 1 604 132 134 GLU CA C 56.923 0.3 1 605 132 134 GLU CB C 27.803 0.3 1 606 132 134 GLU N N 119.435 0.3 1 607 133 135 PHE H H 6.665 0.020 1 608 133 135 PHE C C 177.676 0.3 1 609 133 135 PHE CA C 55.201 0.3 1 610 133 135 PHE CB C 40.249 0.3 1 611 133 135 PHE N N 114.319 0.3 1 612 134 136 TYR H H 9.262 0.020 1 613 134 136 TYR C C 176.113 0.3 1 614 134 136 TYR CA C 59.506 0.3 1 615 134 136 TYR CB C 41.658 0.3 1 616 134 136 TYR N N 120.967 0.3 1 617 135 137 ARG H H 9.891 0.020 1 618 135 137 ARG C C 174.430 0.3 1 619 135 137 ARG CA C 55.168 0.3 1 620 135 137 ARG CB C 32.187 0.3 1 621 135 137 ARG N N 119.766 0.3 1 622 136 138 LEU H H 8.633 0.020 1 623 136 138 LEU C C 173.309 0.3 1 624 136 138 LEU CA C 54.358 0.3 1 625 136 138 LEU CB C 42.989 0.3 1 626 136 138 LEU N N 126.331 0.3 1 627 137 139 ARG H H 9.223 0.020 1 628 137 139 ARG C C 174.138 0.3 1 629 137 139 ARG CA C 54.484 0.3 1 630 137 139 ARG CB C 32.265 0.3 1 631 137 139 ARG N N 124.402 0.3 1 632 138 140 LEU H H 8.555 0.020 1 633 138 140 LEU C C 175.940 0.3 1 634 138 140 LEU CA C 53.487 0.3 1 635 138 140 LEU CB C 41.580 0.3 1 636 138 140 LEU N N 125.707 0.3 1 637 139 141 GLY H H 8.507 0.020 1 638 139 141 GLY C C 174.460 0.3 1 639 139 141 GLY CA C 48.735 0.3 1 640 139 141 GLY N N 112.940 0.3 1 641 140 142 ILE H H 8.129 0.020 1 642 140 142 ILE C C 178.638 0.3 1 643 140 142 ILE CA C 60.837 0.3 1 644 140 142 ILE CB C 42.050 0.3 1 645 140 142 ILE N N 112.220 0.3 1 646 141 143 GLY H H 9.378 0.020 1 647 141 143 GLY C C 167.428 0.3 1 648 141 143 GLY CA C 45.416 0.3 1 649 141 143 GLY N N 115.976 0.3 1 650 142 144 HIS H H 7.572 0.020 1 651 142 144 HIS C C 176.878 0.3 1 652 142 144 HIS CA C 53.168 0.3 1 653 142 144 HIS CB C 31.295 0.3 1 654 142 144 HIS N N 112.686 0.3 1 655 143 145 PRO C C 177.060 0.3 1 656 143 145 PRO CA C 63.213 0.3 1 657 143 145 PRO CB C 32.643 0.3 1 658 144 146 GLY H H 8.501 0.020 1 659 144 146 GLY C C 173.389 0.3 1 660 144 146 GLY CA C 45.245 0.3 1 661 144 146 GLY N N 109.450 0.3 1 662 145 147 HIS H H 7.035 0.020 1 663 145 147 HIS C C 176.515 0.3 1 664 145 147 HIS CA C 56.986 0.3 1 665 145 147 HIS CB C 34.144 0.3 1 666 145 147 HIS N N 117.418 0.3 1 667 147 149 ASP C C 177.278 0.3 1 668 147 149 ASP CA C 56.006 0.3 1 669 147 149 ASP CB C 40.093 0.3 1 670 148 150 LYS H H 7.764 0.020 1 671 148 150 LYS C C 177.315 0.3 1 672 148 150 LYS CA C 55.715 0.3 1 673 148 150 LYS CB C 34.613 0.3 1 674 148 150 LYS N N 116.829 0.3 1 675 149 151 VAL H H 7.344 0.020 1 676 149 151 VAL C C 176.297 0.3 1 677 149 151 VAL CA C 68.220 0.3 1 678 149 151 VAL CB C 32.546 0.3 1 679 149 151 VAL N N 121.107 0.3 1 680 150 152 ALA H H 8.649 0.020 1 681 150 152 ALA C C 180.186 0.3 1 682 150 152 ALA CA C 55.827 0.3 1 683 150 152 ALA CB C 17.627 0.3 1 684 150 152 ALA N N 121.918 0.3 1 685 151 153 GLY H H 8.364 0.020 1 686 151 153 GLY C C 175.872 0.3 1 687 151 153 GLY CA C 45.924 0.3 1 688 151 153 GLY N N 102.407 0.3 1 689 152 154 TYR H H 7.928 0.020 1 690 152 154 TYR C C 179.568 0.3 1 691 152 154 TYR CA C 61.385 0.3 1 692 152 154 TYR CB C 40.010 0.3 1 693 152 154 TYR N N 123.424 0.3 1 694 153 155 VAL H H 8.474 0.020 1 695 153 155 VAL C C 175.243 0.3 1 696 153 155 VAL N N 113.876 0.3 1 697 154 156 LEU H H 6.772 0.020 1 698 154 156 LEU C C 175.897 0.3 1 699 154 156 LEU CA C 53.970 0.3 1 700 154 156 LEU CB C 41.658 0.3 1 701 154 156 LEU N N 117.371 0.3 1 702 155 157 GLY H H 7.380 0.020 1 703 155 157 GLY C C 171.971 0.3 1 704 155 157 GLY CA C 43.888 0.3 1 705 155 157 GLY N N 107.350 0.3 1 706 156 158 LYS H H 8.128 0.020 1 707 156 158 LYS C C 176.541 0.3 1 708 156 158 LYS CA C 55.077 0.3 1 709 156 158 LYS CB C 33.127 0.3 1 710 156 158 LYS N N 118.571 0.3 1 711 157 159 ALA H H 9.648 0.020 1 712 157 159 ALA C C 175.876 0.3 1 713 157 159 ALA CA C 50.771 0.3 1 714 157 159 ALA CB C 17.784 0.3 1 715 157 159 ALA N N 130.597 0.3 1 716 158 160 PRO C C 176.697 0.3 1 717 158 160 PRO CA C 62.167 0.3 1 718 158 160 PRO CB C 32.343 0.3 1 719 159 161 ALA H H 8.555 0.020 1 720 159 161 ALA C C 179.750 0.3 1 721 159 161 ALA CA C 56.766 0.3 1 722 159 161 ALA CB C 18.626 0.3 1 723 159 161 ALA N N 123.550 0.3 1 724 160 162 LYS H H 8.843 0.020 1 725 160 162 LYS C C 179.115 0.3 1 726 160 162 LYS CA C 58.720 0.3 1 727 160 162 LYS CB C 31.561 0.3 1 728 160 162 LYS N N 116.883 0.3 1 729 161 163 GLU H H 6.998 0.020 1 730 161 163 GLU C C 178.707 0.3 1 731 161 163 GLU CA C 59.531 0.3 1 732 161 163 GLU CB C 31.247 0.3 1 733 161 163 GLU N N 118.696 0.3 1 734 162 164 GLN H H 8.974 0.020 1 735 162 164 GLN C C 177.315 0.3 1 736 162 164 GLN CA C 58.019 0.3 1 737 162 164 GLN CB C 28.273 0.3 1 738 162 164 GLN N N 120.267 0.3 1 739 163 165 GLU H H 8.053 0.020 1 740 163 165 GLU C C 180.222 0.3 1 741 163 165 GLU CA C 59.897 0.3 1 742 163 165 GLU CB C 29.760 0.3 1 743 163 165 GLU N N 118.010 0.3 1 744 164 166 CYS H H 7.338 0.020 1 745 164 166 CYS C C 176.744 0.3 1 746 164 166 CYS CA C 63.420 0.3 1 747 164 166 CYS CB C 26.316 0.3 1 748 164 166 CYS N N 118.686 0.3 1 749 165 167 LEU H H 8.365 0.020 1 750 165 167 LEU C C 178.950 0.3 1 751 165 167 LEU CA C 58.410 0.3 1 752 165 167 LEU CB C 42.285 0.3 1 753 165 167 LEU N N 121.669 0.3 1 754 166 168 ASP H H 9.175 0.020 1 755 166 168 ASP C C 178.971 0.3 1 756 166 168 ASP CA C 57.392 0.3 1 757 166 168 ASP CB C 39.701 0.3 1 758 166 168 ASP N N 119.431 0.3 1 759 167 169 ALA H H 7.776 0.020 1 760 167 169 ALA C C 180.659 0.3 1 761 167 169 ALA CA C 54.966 0.3 1 762 167 169 ALA CB C 18.488 0.3 1 763 167 169 ALA N N 122.167 0.3 1 764 168 170 ALA H H 8.192 0.020 1 765 168 170 ALA C C 180.917 0.3 1 766 168 170 ALA CA C 55.435 0.3 1 767 168 170 ALA CB C 17.617 0.3 1 768 168 170 ALA N N 122.661 0.3 1 769 169 171 VAL H H 9.030 0.020 1 770 169 171 VAL C C 177.496 0.3 1 771 169 171 VAL CA C 67.439 0.3 1 772 169 171 VAL CB C 31.639 0.3 1 773 169 171 VAL N N 124.609 0.3 1 774 170 172 ASP H H 8.132 0.020 1 775 170 172 ASP C C 178.914 0.3 1 776 170 172 ASP CA C 57.862 0.3 1 777 170 172 ASP CB C 40.592 0.3 1 778 170 172 ASP N N 119.332 0.3 1 779 171 173 GLU H H 7.880 0.020 1 780 171 173 GLU C C 179.050 0.3 1 781 171 173 GLU CA C 58.175 0.3 1 782 171 173 GLU CB C 28.116 0.3 1 783 171 173 GLU N N 119.936 0.3 1 784 172 174 SER H H 8.455 0.020 1 785 172 174 SER C C 175.919 0.3 1 786 172 174 SER CA C 64.440 0.3 1 787 172 174 SER CB C 62.501 0.3 1 788 172 174 SER N N 119.278 0.3 1 789 173 175 VAL H H 8.258 0.020 1 790 173 175 VAL C C 178.260 0.3 1 791 173 175 VAL CA C 67.712 0.3 1 792 173 175 VAL CB C 31.089 0.3 1 793 173 175 VAL N N 121.825 0.3 1 794 174 176 ARG H H 7.657 0.020 1 795 174 176 ARG C C 180.846 0.3 1 796 174 176 ARG CA C 59.713 0.3 1 797 174 176 ARG CB C 30.073 0.3 1 798 174 176 ARG N N 118.568 0.3 1 799 175 177 CYS H H 8.660 0.020 1 800 175 177 CYS C C 176.627 0.3 1 801 175 177 CYS CA C 64.437 0.3 1 802 175 177 CYS CB C 27.255 0.3 1 803 175 177 CYS N N 117.078 0.3 1 804 176 178 LEU H H 8.691 0.020 1 805 176 178 LEU C C 178.550 0.3 1 806 176 178 LEU CA C 57.862 0.3 1 807 176 178 LEU CB C 41.893 0.3 1 808 176 178 LEU N N 125.489 0.3 1 809 177 179 GLU H H 7.513 0.020 1 810 177 179 GLU C C 179.277 0.3 1 811 177 179 GLU CA C 60.395 0.3 1 812 177 179 GLU CB C 29.212 0.3 1 813 177 179 GLU N N 118.374 0.3 1 814 178 180 ILE H H 7.422 0.020 1 815 178 180 ILE C C 177.817 0.3 1 816 178 180 ILE CA C 65.142 0.3 1 817 178 180 ILE CB C 38.527 0.3 1 818 178 180 ILE N N 118.850 0.3 1 819 179 181 LEU H H 8.505 0.020 1 820 179 181 LEU C C 178.247 0.3 1 821 179 181 LEU CA C 58.645 0.3 1 822 179 181 LEU CB C 41.893 0.3 1 823 179 181 LEU N N 123.782 0.3 1 824 180 182 MET H H 7.154 0.020 1 825 180 182 MET C C 176.406 0.3 1 826 180 182 MET CA C 56.032 0.3 1 827 180 182 MET CB C 31.013 0.3 1 828 180 182 MET N N 113.062 0.3 1 829 181 183 LYS H H 7.659 0.020 1 830 181 183 LYS C C 176.374 0.3 1 831 181 183 LYS CA C 58.723 0.3 1 832 181 183 LYS CB C 34.927 0.3 1 833 181 183 LYS N N 118.016 0.3 1 834 182 184 ASP H H 9.186 0.020 1 835 182 184 ASP C C 177.405 0.3 1 836 182 184 ASP CA C 54.887 0.3 1 837 182 184 ASP CB C 44.790 0.3 1 838 182 184 ASP N N 116.814 0.3 1 839 183 185 GLY H H 7.728 0.020 1 840 183 185 GLY C C 173.410 0.3 1 841 183 185 GLY CA C 44.760 0.3 1 842 183 185 GLY N N 110.430 0.3 1 843 184 186 LEU H H 8.359 0.020 1 844 184 186 LEU C C 177.781 0.3 1 845 184 186 LEU CA C 58.577 0.3 1 846 184 186 LEU CB C 42.206 0.3 1 847 184 186 LEU N N 118.760 0.3 1 848 185 187 THR H H 8.318 0.020 1 849 185 187 THR C C 176.444 0.3 1 850 185 187 THR CA C 67.303 0.3 1 851 185 187 THR CB C 68.351 0.3 1 852 185 187 THR N N 115.549 0.3 1 853 186 188 LYS H H 8.224 0.020 1 854 186 188 LYS C C 179.329 0.3 1 855 186 188 LYS CA C 59.547 0.3 1 856 186 188 LYS CB C 32.343 0.3 1 857 186 188 LYS N N 120.180 0.3 1 858 187 189 ALA H H 7.563 0.020 1 859 187 189 ALA C C 178.878 0.3 1 860 187 189 ALA CA C 55.905 0.3 1 861 187 189 ALA CB C 19.584 0.3 1 862 187 189 ALA N N 121.828 0.3 1 863 188 190 GLN H H 9.117 0.020 1 864 188 190 GLN C C 176.951 0.3 1 865 188 190 GLN CA C 59.036 0.3 1 866 188 190 GLN CB C 29.056 0.3 1 867 188 190 GLN N N 117.763 0.3 1 868 189 191 ASN H H 8.254 0.020 1 869 189 191 ASN C C 177.463 0.3 1 870 189 191 ASN CA C 55.670 0.3 1 871 189 191 ASN CB C 37.979 0.3 1 872 189 191 ASN N N 117.122 0.3 1 873 190 192 ARG H H 7.227 0.020 1 874 190 192 ARG C C 178.428 0.3 1 875 190 192 ARG CA C 59.036 0.3 1 876 190 192 ARG CB C 29.760 0.3 1 877 190 192 ARG N N 117.422 0.3 1 878 191 193 LEU H H 8.594 0.020 1 879 191 193 LEU C C 179.373 0.3 1 880 191 193 LEU CA C 58.645 0.3 1 881 191 193 LEU CB C 41.502 0.3 1 882 191 193 LEU N N 122.066 0.3 1 883 192 194 HIS H H 9.008 0.020 1 884 192 194 HIS C C 177.278 0.3 1 885 192 194 HIS CA C 57.001 0.3 1 886 192 194 HIS CB C 28.351 0.3 1 887 192 194 HIS N N 113.579 0.3 1 888 193 195 THR H H 7.630 0.020 1 889 193 195 THR C C 174.053 0.3 1 890 193 195 THR CA C 62.011 0.3 1 891 193 195 THR CB C 69.995 0.3 1 892 193 195 THR N N 110.310 0.3 1 893 194 196 PHE H H 7.711 0.020 1 894 194 196 PHE C C 175.640 0.3 1 895 194 196 PHE CA C 59.108 0.3 1 896 194 196 PHE CB C 39.858 0.3 1 897 194 196 PHE N N 124.823 0.3 1 898 195 197 LYS H H 7.592 0.020 1 899 195 197 LYS C C 173.919 0.3 1 900 195 197 LYS CA C 56.453 0.3 1 901 195 197 LYS CB C 34.927 0.3 1 902 195 197 LYS N N 128.601 0.3 1 903 196 198 ALA H H 8.313 0.020 1 904 196 198 ALA C C 175.619 0.3 1 905 196 198 ALA CA C 52.148 0.3 1 906 196 198 ALA CB C 20.602 0.3 1 907 196 198 ALA N N 129.645 0.3 1 908 197 199 GLU H H 7.839 0.020 1 909 197 199 GLU C C 180.616 0.3 1 910 197 199 GLU CA C 57.471 0.3 1 911 197 199 GLU CB C 32.500 0.3 1 912 197 199 GLU N N 125.376 0.3 1 stop_ save_