data_26878 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Backbone chemical shift assignments of N118D mutant of Vibrio cholerae peptidyl-tRNA hydrolase ; _BMRB_accession_number 26878 _BMRB_flat_file_name bmr26878.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" 183 "13C chemical shifts" 550 "15N chemical shifts" 183 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' 26876 'VcPth-N14D mutant' 26877 'VcPth-N72D 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-N118D mutant' _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label 'VcPth-N118D mutant' $VcPth-N118D_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-N118D_mutant _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common VcPth-N118D_mutant _Molecular_mass . _Mol_thiol_state 'not reported' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 199 _Mol_residue_sequence ; GAMVSQPIKLLVGLANPGPE YAKTRHNAGAWVVEELARIH NVTLKNEPKFFGLTGRLLIN SQELRVLIPTTFMNLSGKAI AALANFYQIKPEEIMVAHDE LDLPPGVAKFKQGGGHGGHD 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 ASN 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 ASP 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-N118D_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-N118D_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-N118D_mutant . mM 0.8 1.0 '[U-100% 15N]' 'sodium azide' 0.1 % . . 'natural abundance' DTT 1 mM . . '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-N118D_mutant . mM 0.8 1.0 '[U-100% 13C; U-100% 15N]' 'sodium azide' 0.1 % . . 'natural abundance' DTT 1 mM . . '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_HNCA_5 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCA' _Sample_label $sample_2 save_ save_3D_HNCACB_6 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCACB' _Sample_label $sample_2 save_ save_3D_HNCO_7 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCO' _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_ ####################### # 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 HNCA' '3D HNCACB' '3D HNCO' '3D CBCA(CO)NH' 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-N118D 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 8.489 0.020 1 2 1 3 MET C C 176.115 0.3 1 3 1 3 MET CA C 55.573 0.3 1 4 1 3 MET CB C 33.082 0.3 1 5 1 3 MET N N 120.487 0.3 1 6 2 4 VAL H H 8.238 0.020 1 7 2 4 VAL C C 175.788 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 122.315 0.3 1 11 3 5 SER H H 8.359 0.020 1 12 3 5 SER C C 173.571 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 119.817 0.3 1 16 4 6 GLN H H 8.384 0.020 1 17 4 6 GLN CA C 53.478 0.3 1 18 4 6 GLN CB C 29.369 0.3 1 19 4 6 GLN N N 123.745 0.3 1 20 5 7 PRO C C 176.370 0.3 1 21 5 7 PRO CA C 64.297 0.3 1 22 5 7 PRO CB C 32.597 0.3 1 23 6 8 ILE H H 7.779 0.020 1 24 6 8 ILE C C 175.679 0.3 1 25 6 8 ILE CA C 59.036 0.3 1 26 6 8 ILE CB C 38.123 0.3 1 27 6 8 ILE N N 114.405 0.3 1 28 7 9 LYS H H 9.463 0.020 1 29 7 9 LYS C C 175.898 0.3 1 30 7 9 LYS CA C 56.542 0.3 1 31 7 9 LYS CB C 36.960 0.3 1 32 7 9 LYS N N 121.852 0.3 1 33 8 10 LEU H H 7.527 0.020 1 34 8 10 LEU C C 171.681 0.3 1 35 8 10 LEU CA C 53.219 0.3 1 36 8 10 LEU CB C 45.875 0.3 1 37 8 10 LEU N N 122.498 0.3 1 38 9 11 LEU H H 8.905 0.020 1 39 9 11 LEU C C 173.534 0.3 1 40 9 11 LEU CA C 52.761 0.3 1 41 9 11 LEU CB C 45.563 0.3 1 42 9 11 LEU N N 128.786 0.3 1 43 10 12 VAL H H 9.246 0.020 1 44 10 12 VAL C C 174.479 0.3 1 45 10 12 VAL CA C 58.880 0.3 1 46 10 12 VAL CB C 35.250 0.3 1 47 10 12 VAL N N 126.332 0.3 1 48 11 13 GLY H H 8.756 0.020 1 49 11 13 GLY C C 170.943 0.3 1 50 11 13 GLY CA C 45.172 0.3 1 51 11 13 GLY N N 115.508 0.3 1 52 12 14 LEU H H 7.245 0.020 1 53 12 14 LEU C C 176.769 0.3 1 54 12 14 LEU CA C 55.670 0.3 1 55 12 14 LEU CB C 40.547 0.3 1 56 12 14 LEU N N 119.253 0.3 1 57 13 15 ALA H H 8.507 0.020 1 58 13 15 ALA C C 177.097 0.3 1 59 13 15 ALA CA C 52.774 0.3 1 60 13 15 ALA CB C 25.218 0.3 1 61 13 15 ALA N N 121.374 0.3 1 62 14 16 ASN H H 8.822 0.020 1 63 14 16 ASN CA C 51.052 0.3 1 64 14 16 ASN CB C 40.484 0.3 1 65 14 16 ASN N N 116.354 0.3 1 66 17 19 PRO C C 179.168 0.3 1 67 17 19 PRO CA C 65.172 0.3 1 68 17 19 PRO CB C 31.874 0.3 1 69 18 20 GLU H H 9.708 0.020 1 70 18 20 GLU C C 177.807 0.3 1 71 18 20 GLU CA C 58.675 0.3 1 72 18 20 GLU CB C 28.429 0.3 1 73 18 20 GLU N N 118.522 0.3 1 74 19 21 TYR H H 7.262 0.020 1 75 19 21 TYR C C 177.714 0.3 1 76 19 21 TYR CA C 58.481 0.3 1 77 19 21 TYR CB C 39.701 0.3 1 78 19 21 TYR N N 115.160 0.3 1 79 20 22 ALA H H 7.237 0.020 1 80 20 22 ALA C C 178.187 0.3 1 81 20 22 ALA CA C 55.960 0.3 1 82 20 22 ALA CB C 19.607 0.3 1 83 20 22 ALA N N 124.083 0.3 1 84 21 23 LYS H H 8.871 0.020 1 85 21 23 LYS C C 176.541 0.3 1 86 21 23 LYS CA C 55.088 0.3 1 87 21 23 LYS CB C 31.628 0.3 1 88 21 23 LYS N N 114.542 0.3 1 89 22 24 THR H H 7.919 0.020 1 90 22 24 THR C C 175.277 0.3 1 91 22 24 THR CA C 61.306 0.3 1 92 22 24 THR CB C 72.109 0.3 1 93 22 24 THR N N 111.049 0.3 1 94 23 25 ARG H H 8.264 0.020 1 95 23 25 ARG C C 177.242 0.3 1 96 23 25 ARG CA C 60.614 0.3 1 97 23 25 ARG CB C 32.113 0.3 1 98 23 25 ARG N N 119.506 0.3 1 99 24 26 HIS H H 8.285 0.020 1 100 24 26 HIS C C 172.953 0.3 1 101 24 26 HIS CA C 53.246 0.3 1 102 24 26 HIS CB C 28.823 0.3 1 103 24 26 HIS N N 114.057 0.3 1 104 25 27 ASN H H 7.668 0.020 1 105 25 27 ASN C C 175.234 0.3 1 106 25 27 ASN CA C 52.148 0.3 1 107 25 27 ASN CB C 38.214 0.3 1 108 25 27 ASN N N 116.042 0.3 1 109 26 28 ALA H H 7.114 0.020 1 110 26 28 ALA C C 178.428 0.3 1 111 26 28 ALA CA C 54.496 0.3 1 112 26 28 ALA CB C 18.410 0.3 1 113 26 28 ALA N N 120.377 0.3 1 114 27 29 GLY H H 8.948 0.020 1 115 27 29 GLY C C 176.406 0.3 1 116 27 29 GLY CA C 46.981 0.3 1 117 27 29 GLY N N 100.441 0.3 1 118 28 30 ALA H H 7.089 0.020 1 119 28 30 ALA C C 179.277 0.3 1 120 28 30 ALA CA C 55.592 0.3 1 121 28 30 ALA CB C 18.332 0.3 1 122 28 30 ALA N N 123.086 0.3 1 123 29 31 TRP H H 7.622 0.020 1 124 29 31 TRP C C 180.077 0.3 1 125 29 31 TRP CA C 57.862 0.3 1 126 29 31 TRP CB C 29.056 0.3 1 127 29 31 TRP N N 117.902 0.3 1 128 30 32 VAL H H 7.252 0.020 1 129 30 32 VAL C C 176.542 0.3 1 130 30 32 VAL CA C 66.160 0.3 1 131 30 32 VAL CB C 32.030 0.3 1 132 30 32 VAL N N 116.024 0.3 1 133 31 33 VAL H H 6.897 0.020 1 134 31 33 VAL C C 177.060 0.3 1 135 31 33 VAL CA C 67.399 0.3 1 136 31 33 VAL CB C 31.639 0.3 1 137 31 33 VAL N N 118.487 0.3 1 138 32 34 GLU H H 9.034 0.020 1 139 32 34 GLU C C 179.715 0.3 1 140 32 34 GLU CA C 60.054 0.3 1 141 32 34 GLU CB C 30.073 0.3 1 142 32 34 GLU N N 117.818 0.3 1 143 33 35 GLU H H 7.967 0.020 1 144 33 35 GLU C C 177.605 0.3 1 145 33 35 GLU CA C 59.002 0.3 1 146 33 35 GLU CB C 28.817 0.3 1 147 33 35 GLU N N 119.834 0.3 1 148 34 36 LEU H H 8.295 0.020 1 149 34 36 LEU C C 178.429 0.3 1 150 34 36 LEU CA C 58.422 0.3 1 151 34 36 LEU CB C 42.441 0.3 1 152 34 36 LEU N N 120.835 0.3 1 153 35 37 ALA H H 8.442 0.020 1 154 35 37 ALA C C 178.950 0.3 1 155 35 37 ALA CA C 55.670 0.3 1 156 35 37 ALA CB C 17.157 0.3 1 157 35 37 ALA N N 118.204 0.3 1 158 36 38 ARG H H 8.039 0.020 1 159 36 38 ARG C C 181.386 0.3 1 160 36 38 ARG CA C 59.819 0.3 1 161 36 38 ARG CB C 30.465 0.3 1 162 36 38 ARG N N 118.830 0.3 1 163 37 39 ILE H H 8.422 0.020 1 164 37 39 ILE C C 177.387 0.3 1 165 37 39 ILE CA C 64.200 0.3 1 166 37 39 ILE CB C 38.214 0.3 1 167 37 39 ILE N N 118.810 0.3 1 168 38 40 HIS H H 7.457 0.020 1 169 38 40 HIS C C 173.135 0.3 1 170 38 40 HIS CA C 56.736 0.3 1 171 38 40 HIS CB C 29.689 0.3 1 172 38 40 HIS N N 116.159 0.3 1 173 39 41 ASN H H 7.928 0.020 1 174 39 41 ASN C C 174.152 0.3 1 175 39 41 ASN CA C 54.653 0.3 1 176 39 41 ASN CB C 37.353 0.3 1 177 39 41 ASN N N 116.997 0.3 1 178 40 42 VAL H H 8.588 0.020 1 179 40 42 VAL C C 175.361 0.3 1 180 40 42 VAL CA C 61.776 0.3 1 181 40 42 VAL CB C 34.222 0.3 1 182 40 42 VAL N N 119.869 0.3 1 183 41 43 THR H H 8.597 0.020 1 184 41 43 THR C C 174.116 0.3 1 185 41 43 THR CA C 61.776 0.3 1 186 41 43 THR CB C 69.525 0.3 1 187 41 43 THR N N 124.024 0.3 1 188 42 44 LEU H H 8.770 0.020 1 189 42 44 LEU C C 175.919 0.3 1 190 42 44 LEU CA C 54.809 0.3 1 191 42 44 LEU CB C 41.893 0.3 1 192 42 44 LEU N N 128.526 0.3 1 193 43 45 LYS H H 8.752 0.020 1 194 43 45 LYS C C 175.619 0.3 1 195 43 45 LYS CA C 54.496 0.3 1 196 43 45 LYS CB C 35.944 0.3 1 197 43 45 LYS N N 122.418 0.3 1 198 44 46 ASN H H 8.898 0.020 1 199 44 46 ASN C C 174.718 0.3 1 200 44 46 ASN CA C 54.484 0.3 1 201 44 46 ASN CB C 38.840 0.3 1 202 44 46 ASN N N 122.980 0.3 1 203 45 47 GLU H H 8.689 0.020 1 204 45 47 GLU CA C 53.244 0.3 1 205 45 47 GLU CB C 31.639 0.3 1 206 45 47 GLU N N 128.923 0.3 1 207 46 48 PRO C C 175.298 0.3 1 208 46 48 PRO CA C 64.985 0.3 1 209 46 48 PRO CB C 32.030 0.3 1 210 47 49 LYS H H 8.242 0.020 1 211 47 49 LYS C C 175.061 0.3 1 212 47 49 LYS CA C 57.862 0.3 1 213 47 49 LYS CB C 31.561 0.3 1 214 47 49 LYS N N 115.518 0.3 1 215 48 50 PHE H H 7.406 0.020 1 216 48 50 PHE C C 172.810 0.3 1 217 48 50 PHE CA C 53.870 0.3 1 218 48 50 PHE CB C 39.701 0.3 1 219 48 50 PHE N N 114.739 0.3 1 220 49 51 PHE H H 6.939 0.020 1 221 49 51 PHE C C 175.298 0.3 1 222 49 51 PHE CA C 58.019 0.3 1 223 49 51 PHE CB C 36.431 0.3 1 224 49 51 PHE N N 110.386 0.3 1 225 50 52 GLY H H 6.829 0.020 1 226 50 52 GLY C C 170.643 0.3 1 227 50 52 GLY CA C 47.139 0.3 1 228 50 52 GLY N N 136.707 0.3 1 229 51 53 LEU H H 8.706 0.020 1 230 51 53 LEU C C 177.278 0.3 1 231 51 53 LEU CA C 53.087 0.3 1 232 51 53 LEU CB C 44.163 0.3 1 233 51 53 LEU N N 119.439 0.3 1 234 52 54 THR H H 9.220 0.020 1 235 52 54 THR C C 173.732 0.3 1 236 52 54 THR CA C 58.869 0.3 1 237 52 54 THR CB C 72.578 0.3 1 238 52 54 THR N N 112.507 0.3 1 239 53 55 GLY H H 7.872 0.020 1 240 53 55 GLY C C 171.545 0.3 1 241 53 55 GLY CA C 45.024 0.3 1 242 53 55 GLY N N 105.955 0.3 1 243 54 56 ARG H H 8.605 0.020 1 244 54 56 ARG C C 172.767 0.3 1 245 54 56 ARG CA C 55.749 0.3 1 246 54 56 ARG CB C 32.813 0.3 1 247 54 56 ARG N N 122.287 0.3 1 248 55 57 LEU H H 8.975 0.020 1 249 55 57 LEU C C 174.011 0.3 1 250 55 57 LEU CA C 54.105 0.3 1 251 55 57 LEU CB C 44.242 0.3 1 252 55 57 LEU N N 125.318 0.3 1 253 56 58 LEU H H 8.417 0.020 1 254 56 58 LEU C C 176.515 0.3 1 255 56 58 LEU CA C 53.688 0.3 1 256 56 58 LEU CB C 43.261 0.3 1 257 56 58 LEU N N 123.694 0.3 1 258 57 59 ILE H H 8.581 0.020 1 259 57 59 ILE C C 175.629 0.3 1 260 57 59 ILE CA C 60.132 0.3 1 261 57 59 ILE CB C 40.450 0.3 1 262 57 59 ILE N N 123.727 0.3 1 263 58 60 ASN H H 9.467 0.020 1 264 58 60 ASN C C 174.976 0.3 1 265 58 60 ASN CA C 54.766 0.3 1 266 58 60 ASN CB C 37.745 0.3 1 267 58 60 ASN N N 127.397 0.3 1 268 59 61 SER H H 8.651 0.020 1 269 59 61 SER C C 172.698 0.3 1 270 59 61 SER CA C 60.445 0.3 1 271 59 61 SER CB C 62.246 0.3 1 272 59 61 SER N N 107.007 0.3 1 273 60 62 GLN H H 7.931 0.020 1 274 60 62 GLN C C 174.310 0.3 1 275 60 62 GLN CA C 54.118 0.3 1 276 60 62 GLN CB C 31.169 0.3 1 277 60 62 GLN N N 120.839 0.3 1 278 61 63 GLU H H 8.607 0.020 1 279 61 63 GLU C C 174.932 0.3 1 280 61 63 GLU CA C 55.670 0.3 1 281 61 63 GLU CB C 31.639 0.3 1 282 61 63 GLU N N 122.455 0.3 1 283 62 64 LEU H H 9.130 0.020 1 284 62 64 LEU C C 175.424 0.3 1 285 62 64 LEU CA C 53.713 0.3 1 286 62 64 LEU CB C 45.416 0.3 1 287 62 64 LEU N N 129.314 0.3 1 288 63 65 ARG H H 7.796 0.020 1 289 63 65 ARG C C 174.998 0.3 1 290 63 65 ARG CA C 55.983 0.3 1 291 63 65 ARG CB C 31.013 0.3 1 292 63 65 ARG N N 125.506 0.3 1 293 64 66 VAL H H 8.204 0.020 1 294 64 66 VAL C C 174.353 0.3 1 295 64 66 VAL CA C 57.784 0.3 1 296 64 66 VAL CB C 34.927 0.3 1 297 64 66 VAL N N 112.779 0.3 1 298 65 67 LEU H H 8.193 0.020 1 299 65 67 LEU C C 174.588 0.3 1 300 65 67 LEU CA C 53.557 0.3 1 301 65 67 LEU CB C 47.686 0.3 1 302 65 67 LEU N N 122.463 0.3 1 303 66 68 ILE H H 9.123 0.020 1 304 66 68 ILE CA C 58.567 0.3 1 305 66 68 ILE CB C 41.815 0.3 1 306 66 68 ILE N N 126.925 0.3 1 307 67 69 PRO C C 177.169 0.3 1 308 67 69 PRO CA C 63.203 0.3 1 309 67 69 PRO CB C 33.109 0.3 1 310 68 70 THR H H 9.566 0.020 1 311 68 70 THR C C 174.479 0.3 1 312 68 70 THR CA C 60.445 0.3 1 313 68 70 THR CB C 67.177 0.3 1 314 68 70 THR N N 114.306 0.3 1 315 69 71 THR H H 7.014 0.020 1 316 69 71 THR C C 176.442 0.3 1 317 69 71 THR CA C 61.389 0.3 1 318 69 71 THR CB C 71.013 0.3 1 319 69 71 THR N N 110.841 0.3 1 320 70 72 PHE H H 7.954 0.020 1 321 70 72 PHE C C 179.168 0.3 1 322 70 72 PHE CA C 61.971 0.3 1 323 70 72 PHE CB C 38.705 0.3 1 324 70 72 PHE N N 112.594 0.3 1 325 71 73 MET H H 8.631 0.020 1 326 71 73 MET C C 179.096 0.3 1 327 71 73 MET CA C 58.093 0.3 1 328 71 73 MET CB C 32.694 0.3 1 329 71 73 MET N N 121.797 0.3 1 330 72 74 ASN H H 8.676 0.020 1 331 72 74 ASN C C 173.280 0.3 1 332 72 74 ASN CA C 54.506 0.3 1 333 72 74 ASN CB C 36.572 0.3 1 334 72 74 ASN N N 115.334 0.3 1 335 73 75 LEU H H 7.456 0.020 1 336 73 75 LEU C C 177.860 0.3 1 337 73 75 LEU CA C 53.870 0.3 1 338 73 75 LEU CB C 43.537 0.3 1 339 73 75 LEU N N 119.005 0.3 1 340 74 76 SER H H 7.587 0.020 1 341 74 76 SER C C 175.788 0.3 1 342 74 76 SER CA C 63.328 0.3 1 343 74 76 SER CB C 65.655 0.3 1 344 74 76 SER N N 114.281 0.3 1 345 75 77 GLY H H 10.027 0.020 1 346 75 77 GLY C C 174.954 0.3 1 347 75 77 GLY CA C 47.817 0.3 1 348 75 77 GLY N N 108.121 0.3 1 349 76 78 LYS H H 7.963 0.020 1 350 76 78 LYS C C 178.950 0.3 1 351 76 78 LYS CA C 59.271 0.3 1 352 76 78 LYS CB C 32.813 0.3 1 353 76 78 LYS N N 120.062 0.3 1 354 77 79 ALA H H 6.834 0.020 1 355 77 79 ALA C C 177.463 0.3 1 356 77 79 ALA CA C 54.966 0.3 1 357 77 79 ALA CB C 20.758 0.3 1 358 77 79 ALA N N 121.438 0.3 1 359 78 80 ILE H H 7.173 0.020 1 360 78 80 ILE C C 177.060 0.3 1 361 78 80 ILE CA C 65.846 0.3 1 362 78 80 ILE CB C 39.154 0.3 1 363 78 80 ILE N N 115.543 0.3 1 364 79 81 ALA H H 8.638 0.020 1 365 79 81 ALA C C 179.459 0.3 1 366 79 81 ALA CA C 55.044 0.3 1 367 79 81 ALA CB C 18.008 0.3 1 368 79 81 ALA N N 118.050 0.3 1 369 80 82 ALA H H 7.464 0.020 1 370 80 82 ALA C C 180.768 0.3 1 371 80 82 ALA CA C 55.592 0.3 1 372 80 82 ALA CB C 18.723 0.3 1 373 80 82 ALA N N 118.775 0.3 1 374 81 83 LEU H H 7.960 0.020 1 375 81 83 LEU C C 178.878 0.3 1 376 81 83 LEU CA C 59.271 0.3 1 377 81 83 LEU CB C 42.598 0.3 1 378 81 83 LEU N N 119.868 0.3 1 379 82 84 ALA H H 8.915 0.020 1 380 82 84 ALA C C 180.273 0.3 1 381 82 84 ALA CA C 56.140 0.3 1 382 82 84 ALA CB C 17.236 0.3 1 383 82 84 ALA N N 120.844 0.3 1 384 83 85 ASN H H 8.643 0.020 1 385 83 85 ASN C C 178.187 0.3 1 386 83 85 ASN CA C 55.827 0.3 1 387 83 85 ASN CB C 38.371 0.3 1 388 83 85 ASN N N 113.919 0.3 1 389 84 86 PHE H H 7.628 0.020 1 390 84 86 PHE C C 177.024 0.3 1 391 84 86 PHE CA C 62.089 0.3 1 392 84 86 PHE CB C 40.406 0.3 1 393 84 86 PHE N N 121.228 0.3 1 394 85 87 TYR H H 7.571 0.020 1 395 85 87 TYR C C 173.861 0.3 1 396 85 87 TYR CA C 59.193 0.3 1 397 85 87 TYR CB C 38.919 0.3 1 398 85 87 TYR N N 112.798 0.3 1 399 86 88 GLN H H 7.692 0.020 1 400 86 88 GLN C C 174.675 0.3 1 401 86 88 GLN CA C 57.236 0.3 1 402 86 88 GLN CB C 25.846 0.3 1 403 86 88 GLN N N 117.606 0.3 1 404 87 89 ILE H H 8.785 0.020 1 405 87 89 ILE C C 175.597 0.3 1 406 87 89 ILE CA C 61.619 0.3 1 407 87 89 ILE CB C 40.484 0.3 1 408 87 89 ILE N N 122.047 0.3 1 409 88 90 LYS H H 8.954 0.020 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 128.633 0.3 1 413 89 91 PRO C C 176.733 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 9.324 0.020 1 417 90 92 GLU C C 176.241 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 111.250 0.3 1 421 91 93 GLU H H 8.096 0.020 1 422 91 93 GLU C C 175.352 0.3 1 423 91 93 GLU CA C 54.603 0.3 1 424 91 93 GLU CB C 30.856 0.3 1 425 91 93 GLU N N 116.160 0.3 1 426 92 94 ILE H H 8.045 0.020 1 427 92 94 ILE C C 173.710 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 122.614 0.3 1 431 93 95 MET H H 9.196 0.020 1 432 93 95 MET C C 173.607 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 125.318 0.3 1 436 94 96 VAL H H 9.403 0.020 1 437 94 96 VAL C C 174.588 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 128.520 0.3 1 441 95 97 ALA H H 9.988 0.020 1 442 95 97 ALA C C 175.788 0.3 1 443 95 97 ALA CA C 50.191 0.3 1 444 95 97 ALA CB C 20.210 0.3 1 445 95 97 ALA N N 132.312 0.3 1 446 96 98 HIS H H 8.965 0.020 1 447 96 98 HIS C C 171.681 0.3 1 448 96 98 HIS CA C 53.870 0.3 1 449 96 98 HIS CB C 32.578 0.3 1 450 96 98 HIS N N 118.741 0.3 1 451 97 99 ASP H H 10.455 0.020 1 452 97 99 ASP C C 177.678 0.3 1 453 97 99 ASP CA C 53.635 0.3 1 454 97 99 ASP CB C 40.249 0.3 1 455 97 99 ASP N N 115.446 0.3 1 456 98 100 GLU H H 9.196 0.020 1 457 98 100 GLU C C 174.932 0.3 1 458 98 100 GLU CA C 53.635 0.3 1 459 98 100 GLU CB C 33.664 0.3 1 460 98 100 GLU N N 127.283 0.3 1 461 99 101 LEU H H 8.656 0.020 1 462 99 101 LEU C C 178.128 0.3 1 463 99 101 LEU CA C 57.001 0.3 1 464 99 101 LEU CB C 44.555 0.3 1 465 99 101 LEU N N 132.589 0.3 1 466 100 102 ASP H H 9.211 0.020 1 467 100 102 ASP C C 175.170 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 114.155 0.3 1 471 101 103 LEU H H 7.406 0.020 1 472 101 103 LEU CA C 51.365 0.3 1 473 101 103 LEU CB C 45.338 0.3 1 474 101 103 LEU N N 119.907 0.3 1 475 103 105 PRO C C 178.550 0.3 1 476 103 105 PRO CA C 62.922 0.3 1 477 103 105 PRO CB C 31.422 0.3 1 478 104 106 GLY H H 9.803 0.020 1 479 104 106 GLY C C 172.044 0.3 1 480 104 106 GLY CA C 45.685 0.3 1 481 104 106 GLY N N 113.780 0.3 1 482 105 107 VAL H H 7.503 0.020 1 483 105 107 VAL C C 174.770 0.3 1 484 105 107 VAL CA C 60.523 0.3 1 485 105 107 VAL CB C 34.927 0.3 1 486 105 107 VAL N N 116.067 0.3 1 487 106 108 ALA H H 9.485 0.020 1 488 106 108 ALA C C 174.954 0.3 1 489 106 108 ALA CA C 51.521 0.3 1 490 106 108 ALA CB C 23.733 0.3 1 491 106 108 ALA N N 129.732 0.3 1 492 107 109 LYS H H 8.169 0.020 1 493 107 109 LYS C C 176.262 0.3 1 494 107 109 LYS CA C 54.574 0.3 1 495 107 109 LYS CB C 39.623 0.3 1 496 107 109 LYS N N 113.858 0.3 1 497 108 110 PHE H H 11.605 0.020 1 498 108 110 PHE C C 177.933 0.3 1 499 108 110 PHE CA C 56.688 0.3 1 500 108 110 PHE CB C 42.128 0.3 1 501 108 110 PHE N N 122.824 0.3 1 502 109 111 LYS H H 9.254 0.020 1 503 109 111 LYS C C 173.152 0.3 1 504 109 111 LYS CA C 56.218 0.3 1 505 109 111 LYS CB C 38.449 0.3 1 506 109 111 LYS N N 122.577 0.3 1 507 110 112 GLN H H 8.897 0.020 1 508 110 112 GLN C C 175.243 0.3 1 509 110 112 GLN CA C 55.891 0.3 1 510 110 112 GLN CB C 29.447 0.3 1 511 110 112 GLN N N 126.908 0.3 1 512 111 113 GLY H H 7.169 0.020 1 513 111 113 GLY C C 171.644 0.3 1 514 111 113 GLY CA C 44.633 0.3 1 515 111 113 GLY N N 113.837 0.3 1 516 112 114 GLY H H 7.607 0.020 1 517 112 114 GLY C C 174.954 0.3 1 518 112 114 GLY CA C 43.164 0.3 1 519 112 114 GLY N N 102.369 0.3 1 520 113 115 GLY H H 8.093 0.020 1 521 113 115 GLY C C 174.734 0.3 1 522 113 115 GLY CA C 44.618 0.3 1 523 113 115 GLY N N 104.284 0.3 1 524 114 116 HIS H H 7.460 0.020 1 525 114 116 HIS C C 177.860 0.3 1 526 114 116 HIS CA C 55.118 0.3 1 527 114 116 HIS CB C 32.016 0.3 1 528 114 116 HIS N N 114.001 0.3 1 529 115 117 GLY H H 8.456 0.020 1 530 115 117 GLY C C 175.497 0.3 1 531 115 117 GLY CA C 47.236 0.3 1 532 115 117 GLY N N 112.033 0.3 1 533 116 118 GLY H H 11.212 0.020 1 534 116 118 GLY C C 174.298 0.3 1 535 116 118 GLY CA C 45.024 0.3 1 536 116 118 GLY N N 112.836 0.3 1 537 117 119 HIS H H 8.290 0.020 1 538 117 119 HIS C C 176.479 0.3 1 539 117 119 HIS CA C 57.848 0.3 1 540 117 119 HIS CB C 32.422 0.3 1 541 117 119 HIS N N 125.157 0.3 1 542 118 120 ASP H H 9.445 0.020 1 543 118 120 ASP C C 179.277 0.3 1 544 118 120 ASP CA C 57.221 0.3 1 545 118 120 ASP CB C 39.577 0.3 1 546 118 120 ASP N N 127.664 0.3 1 547 119 121 GLY H H 9.493 0.020 1 548 119 121 GLY C C 177.351 0.3 1 549 119 121 GLY CA C 47.139 0.3 1 550 119 121 GLY N N 111.956 0.3 1 551 120 122 LEU H H 8.311 0.020 1 552 120 122 LEU C C 178.729 0.3 1 553 120 122 LEU CA C 57.940 0.3 1 554 120 122 LEU CB C 42.833 0.3 1 555 120 122 LEU N N 125.947 0.3 1 556 121 123 LYS H H 8.769 0.020 1 557 121 123 LYS C C 178.841 0.3 1 558 121 123 LYS CA C 60.837 0.3 1 559 121 123 LYS CB C 32.888 0.3 1 560 121 123 LYS N N 119.746 0.3 1 561 122 124 ASP H H 7.148 0.020 1 562 122 124 ASP C C 178.107 0.3 1 563 122 124 ASP CA C 58.175 0.3 1 564 122 124 ASP CB C 43.694 0.3 1 565 122 124 ASP N N 117.063 0.3 1 566 123 125 THR H H 7.704 0.020 1 567 123 125 THR C C 174.696 0.3 1 568 123 125 THR CA C 69.447 0.3 1 569 123 125 THR CB C 67.803 0.3 1 570 123 125 THR N N 116.582 0.3 1 571 124 126 ILE H H 8.066 0.020 1 572 124 126 ILE C C 178.950 0.3 1 573 124 126 ILE CA C 65.424 0.3 1 574 124 126 ILE CB C 39.593 0.3 1 575 124 126 ILE N N 118.578 0.3 1 576 125 127 SER H H 7.341 0.020 1 577 125 127 SER C C 178.660 0.3 1 578 125 127 SER CA C 61.619 0.3 1 579 125 127 SER CB C 63.263 0.3 1 580 125 127 SER N N 110.986 0.3 1 581 126 128 LYS H H 8.463 0.020 1 582 126 128 LYS C C 178.223 0.3 1 583 126 128 LYS CA C 58.019 0.3 1 584 126 128 LYS CB C 31.604 0.3 1 585 126 128 LYS N N 119.480 0.3 1 586 127 129 LEU H H 7.755 0.020 1 587 127 129 LEU C C 176.542 0.3 1 588 127 129 LEU CA C 54.343 0.3 1 589 127 129 LEU CB C 40.530 0.3 1 590 127 129 LEU N N 119.617 0.3 1 591 128 130 GLY H H 7.765 0.020 1 592 128 130 GLY C C 179.094 0.3 1 593 128 130 GLY CA C 46.903 0.3 1 594 128 130 GLY N N 107.824 0.3 1 595 129 131 ASN H H 8.232 0.020 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 115.922 0.3 1 599 131 133 LYS C C 178.587 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 8.676 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 119.451 0.3 1 607 133 135 PHE H H 6.664 0.020 1 608 133 135 PHE C C 177.785 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 114.332 0.3 1 612 134 136 TYR H H 9.231 0.020 1 613 134 136 TYR C C 176.219 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 121.053 0.3 1 617 135 137 ARG H H 9.875 0.020 1 618 135 137 ARG C C 174.516 0.3 1 619 135 137 ARG CA C 54.758 0.3 1 620 135 137 ARG CB C 32.187 0.3 1 621 135 137 ARG N N 119.702 0.3 1 622 136 138 LEU H H 8.583 0.020 1 623 136 138 LEU C C 173.131 0.3 1 624 136 138 LEU CA C 54.731 0.3 1 625 136 138 LEU CB C 42.989 0.3 1 626 136 138 LEU N N 126.227 0.3 1 627 137 139 ARG H H 9.212 0.020 1 628 137 139 ARG C C 174.010 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 124.275 0.3 1 632 138 140 LEU H H 8.636 0.020 1 633 138 140 LEU C C 175.940 0.3 1 634 138 140 LEU CA C 53.870 0.3 1 635 138 140 LEU CB C 41.580 0.3 1 636 138 140 LEU N N 125.639 0.3 1 637 139 141 GLY H H 8.588 0.020 1 638 139 141 GLY C C 174.353 0.3 1 639 139 141 GLY CA C 48.782 0.3 1 640 139 141 GLY N N 113.247 0.3 1 641 140 142 ILE H H 8.118 0.020 1 642 140 142 ILE C C 178.707 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 111.868 0.3 1 646 141 143 GLY H H 9.419 0.020 1 647 141 143 GLY C C 167.464 0.3 1 648 141 143 GLY CA C 45.416 0.3 1 649 141 143 GLY N N 116.164 0.3 1 650 142 144 HIS H H 7.602 0.020 1 651 142 144 HIS C C 175.640 0.3 1 652 142 144 HIS CA C 53.087 0.3 1 653 142 144 HIS CB C 33.761 0.3 1 654 142 144 HIS N N 112.868 0.3 1 655 143 145 PRO C C 176.915 0.3 1 656 143 145 PRO CA C 62.922 0.3 1 657 143 145 PRO CB C 32.828 0.3 1 658 144 146 GLY H H 8.144 0.020 1 659 144 146 GLY C C 173.411 0.3 1 660 144 146 GLY CA C 44.424 0.3 1 661 144 146 GLY N N 106.524 0.3 1 662 145 147 HIS H H 7.050 0.020 1 663 145 147 HIS CA C 56.833 0.3 1 664 145 147 HIS CB C 33.567 0.3 1 665 145 147 HIS N N 117.374 0.3 1 666 146 148 LYS C C 178.441 0.3 1 667 146 148 LYS CA C 59.547 0.3 1 668 146 148 LYS CB C 32.500 0.3 1 669 147 149 ASP H H 10.464 0.020 1 670 147 149 ASP C C 177.242 0.3 1 671 147 149 ASP CA C 56.057 0.3 1 672 147 149 ASP CB C 40.093 0.3 1 673 147 149 ASP N N 121.556 0.3 1 674 148 150 LYS H H 7.763 0.020 1 675 148 150 LYS C C 177.387 0.3 1 676 148 150 LYS CA C 55.827 0.3 1 677 148 150 LYS CB C 34.342 0.3 1 678 148 150 LYS N N 116.799 0.3 1 679 149 151 VAL H H 7.365 0.020 1 680 149 151 VAL C C 176.370 0.3 1 681 149 151 VAL CA C 68.175 0.3 1 682 149 151 VAL CB C 32.109 0.3 1 683 149 151 VAL N N 121.128 0.3 1 684 150 152 ALA H H 8.677 0.020 1 685 150 152 ALA C C 180.016 0.3 1 686 150 152 ALA CA C 55.827 0.3 1 687 150 152 ALA CB C 17.627 0.3 1 688 150 152 ALA N N 122.049 0.3 1 689 151 153 GLY H H 8.343 0.020 1 690 151 153 GLY C C 175.919 0.3 1 691 151 153 GLY CA C 45.964 0.3 1 692 151 153 GLY N N 102.128 0.3 1 693 152 154 TYR H H 7.925 0.020 1 694 152 154 TYR C C 179.786 0.3 1 695 152 154 TYR CA C 61.385 0.3 1 696 152 154 TYR CB C 40.484 0.3 1 697 152 154 TYR N N 123.095 0.3 1 698 153 155 VAL H H 8.678 0.020 1 699 153 155 VAL C C 175.788 0.3 1 700 153 155 VAL CA C 65.142 0.3 1 701 153 155 VAL CB C 31.091 0.3 1 702 153 155 VAL N N 112.915 0.3 1 703 154 156 LEU H H 6.980 0.020 1 704 154 156 LEU C C 175.061 0.3 1 705 154 156 LEU CA C 53.948 0.3 1 706 154 156 LEU CB C 40.641 0.3 1 707 154 156 LEU N N 117.534 0.3 1 708 155 157 GLY H H 7.315 0.020 1 709 155 157 GLY C C 171.899 0.3 1 710 155 157 GLY CA C 43.615 0.3 1 711 155 157 GLY N N 107.662 0.3 1 712 156 158 LYS H H 8.161 0.020 1 713 156 158 LYS C C 176.479 0.3 1 714 156 158 LYS CA C 54.887 0.3 1 715 156 158 LYS CB C 33.518 0.3 1 716 156 158 LYS N N 118.256 0.3 1 717 157 159 ALA H H 9.741 0.020 1 718 157 159 ALA CA C 50.895 0.3 1 719 157 159 ALA CB C 17.784 0.3 1 720 157 159 ALA N N 130.475 0.3 1 721 158 160 PRO C C 176.551 0.3 1 722 158 160 PRO CA C 62.167 0.3 1 723 158 160 PRO CB C 32.343 0.3 1 724 159 161 ALA H H 8.574 0.020 1 725 159 161 ALA C C 179.823 0.3 1 726 159 161 ALA CA C 56.766 0.3 1 727 159 161 ALA CB C 18.626 0.3 1 728 159 161 ALA N N 123.616 0.3 1 729 160 162 LYS H H 8.864 0.020 1 730 160 162 LYS C C 179.115 0.3 1 731 160 162 LYS CA C 58.958 0.3 1 732 160 162 LYS CB C 31.561 0.3 1 733 160 162 LYS N N 116.733 0.3 1 734 161 163 GLU H H 6.965 0.020 1 735 161 163 GLU C C 178.707 0.3 1 736 161 163 GLU CA C 59.349 0.3 1 737 161 163 GLU CB C 31.247 0.3 1 738 161 163 GLU N N 118.564 0.3 1 739 162 164 GLN H H 8.985 0.020 1 740 162 164 GLN C C 177.315 0.3 1 741 162 164 GLN CA C 58.019 0.3 1 742 162 164 GLN CB C 28.273 0.3 1 743 162 164 GLN N N 120.288 0.3 1 744 163 165 GLU H H 8.049 0.020 1 745 163 165 GLU C C 180.186 0.3 1 746 163 165 GLU CA C 59.897 0.3 1 747 163 165 GLU CB C 29.760 0.3 1 748 163 165 GLU N N 117.882 0.3 1 749 164 166 CYS H H 7.288 0.020 1 750 164 166 CYS C C 176.733 0.3 1 751 164 166 CYS CA C 63.420 0.3 1 752 164 166 CYS CB C 26.316 0.3 1 753 164 166 CYS N N 118.722 0.3 1 754 165 167 LEU H H 8.351 0.020 1 755 165 167 LEU C C 179.029 0.3 1 756 165 167 LEU CA C 58.410 0.3 1 757 165 167 LEU CB C 42.285 0.3 1 758 165 167 LEU N N 121.269 0.3 1 759 166 168 ASP H H 9.176 0.020 1 760 166 168 ASP C C 179.029 0.3 1 761 166 168 ASP CA C 57.392 0.3 1 762 166 168 ASP CB C 39.701 0.3 1 763 166 168 ASP N N 119.459 0.3 1 764 167 169 ALA H H 7.735 0.020 1 765 167 169 ALA C C 180.616 0.3 1 766 167 169 ALA CA C 54.966 0.3 1 767 167 169 ALA CB C 18.488 0.3 1 768 167 169 ALA N N 122.249 0.3 1 769 168 170 ALA H H 8.163 0.020 1 770 168 170 ALA C C 181.022 0.3 1 771 168 170 ALA CA C 55.435 0.3 1 772 168 170 ALA CB C 17.705 0.3 1 773 168 170 ALA N N 122.587 0.3 1 774 169 171 VAL H H 9.051 0.020 1 775 169 171 VAL C C 177.442 0.3 1 776 169 171 VAL CA C 67.725 0.3 1 777 169 171 VAL CB C 31.639 0.3 1 778 169 171 VAL N N 124.642 0.3 1 779 170 172 ASP H H 8.129 0.020 1 780 170 172 ASP C C 178.914 0.3 1 781 170 172 ASP CA C 57.862 0.3 1 782 170 172 ASP CB C 40.450 0.3 1 783 170 172 ASP N N 119.371 0.3 1 784 171 173 GLU H H 7.813 0.020 1 785 171 173 GLU C C 179.168 0.3 1 786 171 173 GLU CA C 57.899 0.3 1 787 171 173 GLU CB C 28.116 0.3 1 788 171 173 GLU N N 119.859 0.3 1 789 172 174 SER H H 8.454 0.020 1 790 172 174 SER C C 175.919 0.3 1 791 172 174 SER CA C 64.297 0.3 1 792 172 174 SER CB C 62.794 0.3 1 793 172 174 SER N N 119.227 0.3 1 794 173 175 VAL H H 8.300 0.020 1 795 173 175 VAL C C 178.260 0.3 1 796 173 175 VAL CA C 67.803 0.3 1 797 173 175 VAL CB C 31.089 0.3 1 798 173 175 VAL N N 121.917 0.3 1 799 174 176 ARG H H 7.639 0.020 1 800 174 176 ARG C C 180.938 0.3 1 801 174 176 ARG CA C 59.506 0.3 1 802 174 176 ARG CB C 30.073 0.3 1 803 174 176 ARG N N 118.655 0.3 1 804 175 177 CYS H H 8.638 0.020 1 805 175 177 CYS C C 176.541 0.3 1 806 175 177 CYS CA C 64.437 0.3 1 807 175 177 CYS CB C 27.255 0.3 1 808 175 177 CYS N N 116.997 0.3 1 809 176 178 LEU H H 8.682 0.020 1 810 176 178 LEU C C 178.450 0.3 1 811 176 178 LEU CA C 57.862 0.3 1 812 176 178 LEU CB C 41.893 0.3 1 813 176 178 LEU N N 125.428 0.3 1 814 177 179 GLU H H 7.503 0.020 1 815 177 179 GLU C C 179.241 0.3 1 816 177 179 GLU CA C 60.226 0.3 1 817 177 179 GLU CB C 29.212 0.3 1 818 177 179 GLU N N 118.283 0.3 1 819 178 180 ILE H H 7.416 0.020 1 820 178 180 ILE C C 177.785 0.3 1 821 178 180 ILE CA C 65.142 0.3 1 822 178 180 ILE CB C 38.123 0.3 1 823 178 180 ILE N N 118.814 0.3 1 824 179 181 LEU H H 8.490 0.020 1 825 179 181 LEU C C 178.129 0.3 1 826 179 181 LEU CA C 58.645 0.3 1 827 179 181 LEU CB C 41.893 0.3 1 828 179 181 LEU N N 123.731 0.3 1 829 180 182 MET H H 7.147 0.020 1 830 180 182 MET C C 176.370 0.3 1 831 180 182 MET CA C 55.905 0.3 1 832 180 182 MET CB C 31.013 0.3 1 833 180 182 MET N N 113.070 0.3 1 834 181 183 LYS H H 7.659 0.020 1 835 181 183 LYS C C 176.479 0.3 1 836 181 183 LYS CA C 58.723 0.3 1 837 181 183 LYS CB C 34.927 0.3 1 838 181 183 LYS N N 117.970 0.3 1 839 182 184 ASP H H 9.188 0.020 1 840 182 184 ASP C C 177.424 0.3 1 841 182 184 ASP CA C 54.887 0.3 1 842 182 184 ASP CB C 44.790 0.3 1 843 182 184 ASP N N 116.739 0.3 1 844 183 185 GLY H H 7.727 0.020 1 845 183 185 GLY C C 173.410 0.3 1 846 183 185 GLY CA C 44.641 0.3 1 847 183 185 GLY N N 110.424 0.3 1 848 184 186 LEU H H 8.350 0.020 1 849 184 186 LEU C C 177.714 0.3 1 850 184 186 LEU CA C 58.410 0.3 1 851 184 186 LEU CB C 42.206 0.3 1 852 184 186 LEU N N 118.735 0.3 1 853 185 187 THR H H 8.313 0.020 1 854 185 187 THR C C 176.520 0.3 1 855 185 187 THR CA C 67.021 0.3 1 856 185 187 THR CB C 68.351 0.3 1 857 185 187 THR N N 115.552 0.3 1 858 186 188 LYS H H 8.221 0.020 1 859 186 188 LYS C C 179.329 0.3 1 860 186 188 LYS CA C 59.547 0.3 1 861 186 188 LYS CB C 32.343 0.3 1 862 186 188 LYS N N 120.194 0.3 1 863 187 189 ALA H H 7.566 0.020 1 864 187 189 ALA C C 178.878 0.3 1 865 187 189 ALA CA C 55.905 0.3 1 866 187 189 ALA CB C 19.584 0.3 1 867 187 189 ALA N N 121.865 0.3 1 868 188 190 GLN H H 9.104 0.020 1 869 188 190 GLN C C 176.863 0.3 1 870 188 190 GLN CA C 59.036 0.3 1 871 188 190 GLN CB C 29.056 0.3 1 872 188 190 GLN N N 117.824 0.3 1 873 189 191 ASN H H 8.253 0.020 1 874 189 191 ASN C C 177.463 0.3 1 875 189 191 ASN CA C 55.670 0.3 1 876 189 191 ASN CB C 37.979 0.3 1 877 189 191 ASN N N 117.118 0.3 1 878 190 192 ARG H H 7.216 0.020 1 879 190 192 ARG C C 178.428 0.3 1 880 190 192 ARG CA C 59.036 0.3 1 881 190 192 ARG CB C 29.760 0.3 1 882 190 192 ARG N N 117.296 0.3 1 883 191 193 LEU H H 8.610 0.020 1 884 191 193 LEU C C 179.373 0.3 1 885 191 193 LEU CA C 58.645 0.3 1 886 191 193 LEU CB C 41.502 0.3 1 887 191 193 LEU N N 122.073 0.3 1 888 192 194 HIS H H 9.010 0.020 1 889 192 194 HIS C C 177.163 0.3 1 890 192 194 HIS CA C 57.001 0.3 1 891 192 194 HIS CB C 28.351 0.3 1 892 192 194 HIS N N 113.599 0.3 1 893 193 195 THR H H 7.630 0.020 1 894 193 195 THR C C 174.053 0.3 1 895 193 195 THR CA C 62.011 0.3 1 896 193 195 THR CB C 69.995 0.3 1 897 193 195 THR N N 110.106 0.3 1 898 194 196 PHE H H 7.720 0.020 1 899 194 196 PHE C C 175.640 0.3 1 900 194 196 PHE CA C 59.271 0.3 1 901 194 196 PHE CB C 39.858 0.3 1 902 194 196 PHE N N 124.721 0.3 1 903 195 197 LYS H H 7.579 0.020 1 904 195 197 LYS C C 174.032 0.3 1 905 195 197 LYS CA C 56.453 0.3 1 906 195 197 LYS CB C 34.927 0.3 1 907 195 197 LYS N N 128.517 0.3 1 908 196 198 ALA H H 8.314 0.020 1 909 196 198 ALA C C 175.619 0.3 1 910 196 198 ALA CA C 52.148 0.3 1 911 196 198 ALA CB C 20.602 0.3 1 912 196 198 ALA N N 129.493 0.3 1 913 197 199 GLU H H 7.835 0.020 1 914 197 199 GLU CA C 57.471 0.3 1 915 197 199 GLU CB C 32.500 0.3 1 916 197 199 GLU N N 125.270 0.3 1 stop_ save_