data_26877 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Backbone chemical shift assignments of N72D mutant of Vibrio cholerae peptidyl-tRNA hydrolase ; _BMRB_accession_number 26877 _BMRB_flat_file_name bmr26877.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" 560 "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' 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-N72D mutant' _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label 'VcPth-N72D mutant' $VcPth-N72D_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-N72D_mutant _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common VcPth-N72D_mutant _Molecular_mass . _Mol_thiol_state 'not reported' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 199 _Mol_residue_sequence ; GAMVSQPIKLLVGLANPGPE YAKTRHNAGAWVVEELARIH NVTLKNEPKFFGLTGRLLIN SQELRVLIPTTFMDLSGKAI 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 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 ASP 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-N72D_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-N72D_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 _Isotopic_labeling $VcPth-N72D_mutant 0.8 mM '[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' stop_ save_ save_sample_2 _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $VcPth-N72D_mutant 1.0 mM '[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' 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_ ############################# # 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_HNCACB_2 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCACB' _Sample_label $sample_2 save_ save_3D_HN(CA)CO_3 _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 HNCACB' '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-N72D 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 8.471 0.020 1 2 1 3 MET C C 176.059 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 120.643 0.3 1 6 2 4 VAL H H 8.222 0.020 1 7 2 4 VAL C C 175.768 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 122.468 0.3 1 11 3 5 SER H H 8.343 0.020 1 12 3 5 SER C C 173.514 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 119.969 0.3 1 16 4 6 GLN H H 8.370 0.020 1 17 4 6 GLN C C 173.732 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 123.865 0.3 1 21 5 7 PRO C C 176.242 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 7.715 0.020 1 25 6 8 ILE C C 175.577 0.3 1 26 6 8 ILE CA C 59.036 0.3 1 27 6 8 ILE CB C 38.684 0.3 1 28 6 8 ILE N N 114.275 0.3 1 29 7 9 LYS H H 9.447 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 37.008 0.3 1 33 7 9 LYS N N 121.864 0.3 1 34 8 10 LEU H H 7.515 0.020 1 35 8 10 LEU C C 171.660 0.3 1 36 8 10 LEU CA C 53.219 0.3 1 37 8 10 LEU CB C 45.875 0.3 1 38 8 10 LEU N N 122.700 0.3 1 39 9 11 LEU H H 8.890 0.020 1 40 9 11 LEU C C 173.410 0.3 1 41 9 11 LEU CA C 52.884 0.3 1 42 9 11 LEU CB C 45.563 0.3 1 43 9 11 LEU N N 128.977 0.3 1 44 10 12 VAL H H 9.223 0.020 1 45 10 12 VAL C C 174.353 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 126.501 0.3 1 49 11 13 GLY H H 8.715 0.020 1 50 11 13 GLY C C 170.943 0.3 1 51 11 13 GLY CA C 45.172 0.3 1 52 11 13 GLY N N 115.632 0.3 1 53 12 14 LEU H H 7.296 0.020 1 54 12 14 LEU C C 176.498 0.3 1 55 12 14 LEU CA C 55.749 0.3 1 56 12 14 LEU CB C 40.402 0.3 1 57 12 14 LEU N N 119.369 0.3 1 58 13 15 ALA H H 8.582 0.020 1 59 13 15 ALA C C 177.295 0.3 1 60 13 15 ALA CA C 52.774 0.3 1 61 13 15 ALA CB C 25.511 0.3 1 62 13 15 ALA N N 122.192 0.3 1 63 14 16 ASN H H 8.901 0.020 1 64 14 16 ASN C C 173.431 0.3 1 65 14 16 ASN CA C 51.052 0.3 1 66 14 16 ASN CB C 40.484 0.3 1 67 14 16 ASN N N 117.021 0.3 1 68 17 19 PRO C C 179.073 0.3 1 69 17 19 PRO CA C 65.172 0.3 1 70 17 19 PRO CB C 31.874 0.3 1 71 18 20 GLU H H 9.692 0.020 1 72 18 20 GLU C C 177.807 0.3 1 73 18 20 GLU CA C 58.796 0.3 1 74 18 20 GLU CB C 28.358 0.3 1 75 18 20 GLU N N 118.633 0.3 1 76 19 21 TYR H H 7.222 0.020 1 77 19 21 TYR C C 177.549 0.3 1 78 19 21 TYR CA C 58.332 0.3 1 79 19 21 TYR CB C 39.701 0.3 1 80 19 21 TYR N N 115.327 0.3 1 81 20 22 ALA H H 7.212 0.020 1 82 20 22 ALA C C 178.131 0.3 1 83 20 22 ALA CA C 56.059 0.3 1 84 20 22 ALA CB C 19.708 0.3 1 85 20 22 ALA N N 124.248 0.3 1 86 21 23 LYS H H 8.876 0.020 1 87 21 23 LYS C C 176.386 0.3 1 88 21 23 LYS CA C 54.414 0.3 1 89 21 23 LYS CB C 32.109 0.3 1 90 21 23 LYS N N 114.757 0.3 1 91 22 24 THR H H 7.891 0.020 1 92 22 24 THR C C 175.332 0.3 1 93 22 24 THR CA C 61.306 0.3 1 94 22 24 THR CB C 72.109 0.3 1 95 22 24 THR N N 111.200 0.3 1 96 23 25 ARG H H 8.227 0.020 1 97 23 25 ARG C C 177.142 0.3 1 98 23 25 ARG CA C 60.993 0.3 1 99 23 25 ARG CB C 31.874 0.3 1 100 23 25 ARG N N 119.712 0.3 1 101 24 26 HIS H H 8.281 0.020 1 102 24 26 HIS C C 172.969 0.3 1 103 24 26 HIS CA C 53.393 0.3 1 104 24 26 HIS CB C 28.823 0.3 1 105 24 26 HIS N N 114.521 0.3 1 106 25 27 ASN H H 7.648 0.020 1 107 25 27 ASN C C 175.150 0.3 1 108 25 27 ASN CA C 52.148 0.3 1 109 25 27 ASN CB C 38.214 0.3 1 110 25 27 ASN N N 116.121 0.3 1 111 26 28 ALA H H 7.110 0.020 1 112 26 28 ALA C C 178.349 0.3 1 113 26 28 ALA CA C 54.496 0.3 1 114 26 28 ALA CB C 18.410 0.3 1 115 26 28 ALA N N 120.702 0.3 1 116 27 29 GLY H H 8.934 0.020 1 117 27 29 GLY C C 176.350 0.3 1 118 27 29 GLY CA C 46.981 0.3 1 119 27 29 GLY N N 100.449 0.3 1 120 28 30 ALA H H 7.058 0.020 1 121 28 30 ALA C C 179.222 0.3 1 122 28 30 ALA CA C 55.592 0.3 1 123 28 30 ALA CB C 18.332 0.3 1 124 28 30 ALA N N 123.233 0.3 1 125 29 31 TRP H H 7.624 0.020 1 126 29 31 TRP C C 179.973 0.3 1 127 29 31 TRP CA C 57.862 0.3 1 128 29 31 TRP CB C 29.056 0.3 1 129 29 31 TRP N N 118.086 0.3 1 130 30 32 VAL H H 7.223 0.020 1 131 30 32 VAL C C 176.542 0.3 1 132 30 32 VAL CA C 66.160 0.3 1 133 30 32 VAL CB C 32.030 0.3 1 134 30 32 VAL N N 116.204 0.3 1 135 31 33 VAL H H 6.881 0.020 1 136 31 33 VAL C C 176.895 0.3 1 137 31 33 VAL CA C 67.647 0.3 1 138 31 33 VAL CB C 31.639 0.3 1 139 31 33 VAL N N 118.636 0.3 1 140 32 34 GLU H H 9.037 0.020 1 141 32 34 GLU C C 179.715 0.3 1 142 32 34 GLU CA C 60.054 0.3 1 143 32 34 GLU CB C 30.073 0.3 1 144 32 34 GLU N N 117.904 0.3 1 145 33 35 GLU H H 7.953 0.020 1 146 33 35 GLU C C 177.549 0.3 1 147 33 35 GLU CA C 59.002 0.3 1 148 33 35 GLU CB C 28.796 0.3 1 149 33 35 GLU N N 120.146 0.3 1 150 34 36 LEU H H 8.271 0.020 1 151 34 36 LEU C C 178.429 0.3 1 152 34 36 LEU CA C 58.422 0.3 1 153 34 36 LEU CB C 42.441 0.3 1 154 34 36 LEU N N 120.997 0.3 1 155 35 37 ALA H H 8.425 0.020 1 156 35 37 ALA C C 178.858 0.3 1 157 35 37 ALA CA C 55.670 0.3 1 158 35 37 ALA CB C 17.157 0.3 1 159 35 37 ALA N N 118.371 0.3 1 160 36 38 ARG H H 8.023 0.020 1 161 36 38 ARG C C 181.330 0.3 1 162 36 38 ARG CA C 59.819 0.3 1 163 36 38 ARG CB C 30.438 0.3 1 164 36 38 ARG N N 119.064 0.3 1 165 37 39 ILE H H 8.385 0.020 1 166 37 39 ILE C C 177.331 0.3 1 167 37 39 ILE CA C 64.359 0.3 1 168 37 39 ILE CB C 38.214 0.3 1 169 37 39 ILE N N 118.916 0.3 1 170 38 40 HIS H H 7.433 0.020 1 171 38 40 HIS C C 173.042 0.3 1 172 38 40 HIS CA C 56.935 0.3 1 173 38 40 HIS CB C 29.781 0.3 1 174 38 40 HIS N N 116.380 0.3 1 175 39 41 ASN H H 7.911 0.020 1 176 39 41 ASN C C 174.096 0.3 1 177 39 41 ASN CA C 54.653 0.3 1 178 39 41 ASN CB C 37.353 0.3 1 179 39 41 ASN N N 117.157 0.3 1 180 40 42 VAL H H 8.557 0.020 1 181 40 42 VAL C C 175.361 0.3 1 182 40 42 VAL CA C 61.776 0.3 1 183 40 42 VAL CB C 34.222 0.3 1 184 40 42 VAL N N 120.061 0.3 1 185 41 43 THR H H 8.585 0.020 1 186 41 43 THR C C 174.033 0.3 1 187 41 43 THR CA C 61.776 0.3 1 188 41 43 THR CB C 69.525 0.3 1 189 41 43 THR N N 124.156 0.3 1 190 42 44 LEU H H 8.756 0.020 1 191 42 44 LEU C C 175.919 0.3 1 192 42 44 LEU CA C 54.809 0.3 1 193 42 44 LEU CB C 41.893 0.3 1 194 42 44 LEU N N 128.629 0.3 1 195 43 45 LYS H H 8.722 0.020 1 196 43 45 LYS C C 175.619 0.3 1 197 43 45 LYS CA C 54.496 0.3 1 198 43 45 LYS CB C 35.944 0.3 1 199 43 45 LYS N N 122.493 0.3 1 200 44 46 ASN H H 8.887 0.020 1 201 44 46 ASN C C 174.718 0.3 1 202 44 46 ASN CA C 54.484 0.3 1 203 44 46 ASN CB C 38.840 0.3 1 204 44 46 ASN N N 123.102 0.3 1 205 45 47 GLU H H 8.664 0.020 1 206 45 47 GLU C C 173.731 0.3 1 207 45 47 GLU CA C 53.244 0.3 1 208 45 47 GLU CB C 31.639 0.3 1 209 45 47 GLU N N 129.122 0.3 1 210 46 48 PRO C C 175.298 0.3 1 211 46 48 PRO CA C 64.985 0.3 1 212 46 48 PRO CB C 32.030 0.3 1 213 47 49 LYS H H 8.210 0.020 1 214 47 49 LYS C C 174.932 0.3 1 215 47 49 LYS CA C 57.862 0.3 1 216 47 49 LYS CB C 31.561 0.3 1 217 47 49 LYS N N 116.055 0.3 1 218 48 50 PHE H H 7.380 0.020 1 219 48 50 PHE C C 172.810 0.3 1 220 48 50 PHE CA C 53.870 0.3 1 221 48 50 PHE CB C 39.701 0.3 1 222 48 50 PHE N N 114.879 0.3 1 223 49 51 PHE H H 6.897 0.020 1 224 49 51 PHE C C 175.298 0.3 1 225 49 51 PHE CA C 58.019 0.3 1 226 49 51 PHE CB C 36.431 0.3 1 227 49 51 PHE N N 110.556 0.3 1 228 50 52 GLY H H 6.820 0.020 1 229 50 52 GLY C C 170.643 0.3 1 230 50 52 GLY CA C 47.138 0.3 1 231 50 52 GLY N N 137.036 0.3 1 232 51 53 LEU H H 8.669 0.020 1 233 51 53 LEU C C 177.164 0.3 1 234 51 53 LEU CA C 53.087 0.3 1 235 51 53 LEU CB C 44.163 0.3 1 236 51 53 LEU N N 119.509 0.3 1 237 52 54 THR H H 9.205 0.020 1 238 52 54 THR C C 173.732 0.3 1 239 52 54 THR CA C 59.036 0.3 1 240 52 54 THR CB C 72.578 0.3 1 241 52 54 THR N N 112.673 0.3 1 242 53 55 GLY H H 7.847 0.020 1 243 53 55 GLY C C 171.545 0.3 1 244 53 55 GLY CA C 45.024 0.3 1 245 53 55 GLY N N 106.023 0.3 1 246 54 56 ARG H H 8.584 0.020 1 247 54 56 ARG C C 172.678 0.3 1 248 54 56 ARG CA C 55.749 0.3 1 249 54 56 ARG CB C 32.813 0.3 1 250 54 56 ARG N N 122.371 0.3 1 251 55 57 LEU H H 8.951 0.020 1 252 55 57 LEU C C 174.011 0.3 1 253 55 57 LEU CA C 54.105 0.3 1 254 55 57 LEU CB C 44.242 0.3 1 255 55 57 LEU N N 125.453 0.3 1 256 56 58 LEU H H 8.391 0.020 1 257 56 58 LEU C C 176.263 0.3 1 258 56 58 LEU CA C 53.688 0.3 1 259 56 58 LEU CB C 43.694 0.3 1 260 56 58 LEU N N 123.663 0.3 1 261 57 59 ILE H H 8.593 0.020 1 262 57 59 ILE C C 175.629 0.3 1 263 57 59 ILE CA C 60.132 0.3 1 264 57 59 ILE CB C 40.484 0.3 1 265 57 59 ILE N N 124.022 0.3 1 266 58 60 ASN H H 9.463 0.020 1 267 58 60 ASN C C 174.968 0.3 1 268 58 60 ASN CA C 54.766 0.3 1 269 58 60 ASN CB C 37.745 0.3 1 270 58 60 ASN N N 127.595 0.3 1 271 59 61 SER H H 8.643 0.020 1 272 59 61 SER C C 172.605 0.3 1 273 59 61 SER CA C 60.445 0.3 1 274 59 61 SER CB C 62.246 0.3 1 275 59 61 SER N N 107.063 0.3 1 276 60 62 GLN H H 7.904 0.020 1 277 60 62 GLN C C 174.205 0.3 1 278 60 62 GLN CA C 54.183 0.3 1 279 60 62 GLN CB C 31.169 0.3 1 280 60 62 GLN N N 120.997 0.3 1 281 61 63 GLU H H 8.597 0.020 1 282 61 63 GLU C C 174.896 0.3 1 283 61 63 GLU CA C 55.827 0.3 1 284 61 63 GLU CB C 31.639 0.3 1 285 61 63 GLU N N 122.655 0.3 1 286 62 64 LEU H H 9.118 0.020 1 287 62 64 LEU C C 175.276 0.3 1 288 62 64 LEU CA C 53.713 0.3 1 289 62 64 LEU CB C 45.416 0.3 1 290 62 64 LEU N N 129.560 0.3 1 291 63 65 ARG H H 7.778 0.020 1 292 63 65 ARG C C 174.998 0.3 1 293 63 65 ARG CA C 55.983 0.3 1 294 63 65 ARG CB C 31.013 0.3 1 295 63 65 ARG N N 125.601 0.3 1 296 64 66 VAL H H 8.182 0.020 1 297 64 66 VAL C C 174.353 0.3 1 298 64 66 VAL CA C 57.784 0.3 1 299 64 66 VAL CB C 34.927 0.3 1 300 64 66 VAL N N 112.853 0.3 1 301 65 67 LEU H H 8.147 0.020 1 302 65 67 LEU C C 174.459 0.3 1 303 65 67 LEU CA C 53.557 0.3 1 304 65 67 LEU CB C 47.686 0.3 1 305 65 67 LEU N N 122.354 0.3 1 306 66 68 ILE H H 9.108 0.020 1 307 66 68 ILE C C 173.660 0.3 1 308 66 68 ILE CA C 58.567 0.3 1 309 66 68 ILE CB C 41.815 0.3 1 310 66 68 ILE N N 126.983 0.3 1 311 67 69 PRO C C 177.549 0.3 1 312 67 69 PRO CA C 63.203 0.3 1 313 67 69 PRO CB C 33.109 0.3 1 314 68 70 THR H H 9.643 0.020 1 315 68 70 THR C C 174.054 0.3 1 316 68 70 THR CA C 60.445 0.3 1 317 68 70 THR CB C 67.177 0.3 1 318 68 70 THR N N 115.272 0.3 1 319 69 71 THR H H 7.038 0.020 1 320 69 71 THR C C 177.184 0.3 1 321 69 71 THR CA C 62.011 0.3 1 322 69 71 THR CB C 71.013 0.3 1 323 69 71 THR N N 111.066 0.3 1 324 70 72 PHE H H 8.043 0.020 1 325 70 72 PHE C C 178.822 0.3 1 326 70 72 PHE CA C 62.559 0.3 1 327 70 72 PHE CB C 38.371 0.3 1 328 70 72 PHE N N 112.056 0.3 1 329 71 73 MET H H 8.573 0.020 1 330 71 73 MET C C 179.258 0.3 1 331 71 73 MET CA C 58.488 0.3 1 332 71 73 MET CB C 32.628 0.3 1 333 71 73 MET N N 121.849 0.3 1 334 72 74 ASP H H 8.731 0.020 1 335 72 74 ASP C C 174.350 0.3 1 336 72 74 ASP CA C 56.278 0.3 1 337 72 74 ASP CB C 40.183 0.3 1 338 72 74 ASP N N 117.101 0.3 1 339 73 75 LEU H H 7.308 0.020 1 340 73 75 LEU C C 177.622 0.3 1 341 73 75 LEU CA C 53.870 0.3 1 342 73 75 LEU CB C 43.537 0.3 1 343 73 75 LEU N N 117.880 0.3 1 344 74 76 SER H H 7.492 0.020 1 345 74 76 SER C C 175.640 0.3 1 346 74 76 SER CA C 63.498 0.3 1 347 74 76 SER CB C 66.081 0.3 1 348 74 76 SER N N 114.188 0.3 1 349 75 77 GLY H H 10.019 0.020 1 350 75 77 GLY C C 174.859 0.3 1 351 75 77 GLY CA C 47.999 0.3 1 352 75 77 GLY N N 107.951 0.3 1 353 76 78 LYS H H 7.964 0.020 1 354 76 78 LYS C C 178.894 0.3 1 355 76 78 LYS CA C 59.271 0.3 1 356 76 78 LYS CB C 32.813 0.3 1 357 76 78 LYS N N 120.323 0.3 1 358 77 79 ALA H H 6.813 0.020 1 359 77 79 ALA C C 177.404 0.3 1 360 77 79 ALA CA C 54.966 0.3 1 361 77 79 ALA CB C 20.758 0.3 1 362 77 79 ALA N N 121.305 0.3 1 363 78 80 ILE H H 7.081 0.020 1 364 78 80 ILE C C 177.077 0.3 1 365 78 80 ILE CA C 65.846 0.3 1 366 78 80 ILE CB C 39.154 0.3 1 367 78 80 ILE N N 115.677 0.3 1 368 79 81 ALA H H 8.615 0.020 1 369 79 81 ALA C C 179.329 0.3 1 370 79 81 ALA CA C 55.044 0.3 1 371 79 81 ALA CB C 18.008 0.3 1 372 79 81 ALA N N 118.215 0.3 1 373 80 82 ALA H H 7.431 0.020 1 374 80 82 ALA C C 180.676 0.3 1 375 80 82 ALA CA C 55.592 0.3 1 376 80 82 ALA CB C 18.723 0.3 1 377 80 82 ALA N N 118.907 0.3 1 378 81 83 LEU H H 7.933 0.020 1 379 81 83 LEU C C 178.750 0.3 1 380 81 83 LEU CA C 59.271 0.3 1 381 81 83 LEU CB C 42.598 0.3 1 382 81 83 LEU N N 120.004 0.3 1 383 82 84 ALA H H 8.879 0.020 1 384 82 84 ALA C C 180.130 0.3 1 385 82 84 ALA CA C 56.140 0.3 1 386 82 84 ALA CB C 17.236 0.3 1 387 82 84 ALA N N 121.007 0.3 1 388 83 85 ASN H H 8.631 0.020 1 389 83 85 ASN C C 178.085 0.3 1 390 83 85 ASN CA C 55.827 0.3 1 391 83 85 ASN CB C 38.371 0.3 1 392 83 85 ASN N N 114.020 0.3 1 393 84 86 PHE H H 7.599 0.020 1 394 84 86 PHE C C 177.004 0.3 1 395 84 86 PHE CA C 62.089 0.3 1 396 84 86 PHE CB C 40.406 0.3 1 397 84 86 PHE N N 121.341 0.3 1 398 85 87 TYR H H 7.541 0.020 1 399 85 87 TYR C C 173.732 0.3 1 400 85 87 TYR CA C 59.193 0.3 1 401 85 87 TYR CB C 38.919 0.3 1 402 85 87 TYR N N 113.053 0.3 1 403 86 88 GLN H H 7.674 0.020 1 404 86 88 GLN C C 174.605 0.3 1 405 86 88 GLN CA C 57.236 0.3 1 406 86 88 GLN CB C 25.846 0.3 1 407 86 88 GLN N N 117.741 0.3 1 408 87 89 ILE H H 8.771 0.020 1 409 87 89 ILE C C 175.514 0.3 1 410 87 89 ILE CA C 61.619 0.3 1 411 87 89 ILE CB C 40.484 0.3 1 412 87 89 ILE N N 122.177 0.3 1 413 88 90 LYS H H 8.933 0.020 1 414 88 90 LYS C C 175.477 0.3 1 415 88 90 LYS CA C 54.887 0.3 1 416 88 90 LYS CB C 31.639 0.3 1 417 88 90 LYS N N 128.791 0.3 1 418 89 91 PRO C C 176.542 0.3 1 419 89 91 PRO CA C 66.297 0.3 1 420 89 91 PRO CB C 31.703 0.3 1 421 90 92 GLU H H 9.305 0.020 1 422 90 92 GLU C C 176.241 0.3 1 423 90 92 GLU CA C 59.036 0.3 1 424 90 92 GLU CB C 28.508 0.3 1 425 90 92 GLU N N 111.380 0.3 1 426 91 93 GLU H H 8.080 0.020 1 427 91 93 GLU C C 175.254 0.3 1 428 91 93 GLU CA C 54.653 0.3 1 429 91 93 GLU CB C 30.856 0.3 1 430 91 93 GLU N N 116.343 0.3 1 431 92 94 ILE H H 8.028 0.020 1 432 92 94 ILE C C 173.710 0.3 1 433 92 94 ILE CA C 60.837 0.3 1 434 92 94 ILE CB C 40.171 0.3 1 435 92 94 ILE N N 122.768 0.3 1 436 93 95 MET H H 9.162 0.020 1 437 93 95 MET C C 173.514 0.3 1 438 93 95 MET CA C 53.322 0.3 1 439 93 95 MET CB C 36.570 0.3 1 440 93 95 MET N N 125.444 0.3 1 441 94 96 VAL H H 9.383 0.020 1 442 94 96 VAL C C 174.568 0.3 1 443 94 96 VAL CA C 61.306 0.3 1 444 94 96 VAL CB C 33.518 0.3 1 445 94 96 VAL N N 128.665 0.3 1 446 95 97 ALA H H 9.984 0.020 1 447 95 97 ALA C C 175.768 0.3 1 448 95 97 ALA CA C 50.191 0.3 1 449 95 97 ALA CB C 20.210 0.3 1 450 95 97 ALA N N 132.506 0.3 1 451 96 98 HIS H H 8.951 0.020 1 452 96 98 HIS C C 171.543 0.3 1 453 96 98 HIS CA C 53.870 0.3 1 454 96 98 HIS CB C 32.578 0.3 1 455 96 98 HIS N N 118.982 0.3 1 456 97 99 ASP H H 10.407 0.020 1 457 97 99 ASP C C 177.658 0.3 1 458 97 99 ASP CA C 53.635 0.3 1 459 97 99 ASP CB C 40.249 0.3 1 460 97 99 ASP N N 115.600 0.3 1 461 98 100 GLU H H 9.160 0.020 1 462 98 100 GLU C C 174.932 0.3 1 463 98 100 GLU CA C 53.635 0.3 1 464 98 100 GLU CB C 33.439 0.3 1 465 98 100 GLU N N 127.452 0.3 1 466 99 101 LEU H H 8.653 0.020 1 467 99 101 LEU C C 177.986 0.3 1 468 99 101 LEU CA C 57.001 0.3 1 469 99 101 LEU CB C 44.344 0.3 1 470 99 101 LEU N N 132.737 0.3 1 471 100 102 ASP H H 9.170 0.020 1 472 100 102 ASP C C 175.114 0.3 1 473 100 102 ASP CA C 54.966 0.3 1 474 100 102 ASP CB C 40.876 0.3 1 475 100 102 ASP N N 114.311 0.3 1 476 101 103 LEU H H 7.384 0.020 1 477 101 103 LEU C C 172.533 0.3 1 478 101 103 LEU CA C 51.365 0.3 1 479 101 103 LEU CB C 45.338 0.3 1 480 101 103 LEU N N 120.023 0.3 1 481 103 105 PRO C C 178.429 0.3 1 482 103 105 PRO CA C 62.922 0.3 1 483 103 105 PRO CB C 31.422 0.3 1 484 104 106 GLY H H 9.784 0.020 1 485 104 106 GLY C C 172.024 0.3 1 486 104 106 GLY CA C 45.876 0.3 1 487 104 106 GLY N N 113.970 0.3 1 488 105 107 VAL H H 7.477 0.020 1 489 105 107 VAL C C 174.654 0.3 1 490 105 107 VAL CA C 60.523 0.3 1 491 105 107 VAL CB C 34.927 0.3 1 492 105 107 VAL N N 116.227 0.3 1 493 106 108 ALA H H 9.467 0.020 1 494 106 108 ALA C C 174.954 0.3 1 495 106 108 ALA CA C 51.521 0.3 1 496 106 108 ALA CB C 23.733 0.3 1 497 106 108 ALA N N 129.904 0.3 1 498 107 109 LYS H H 8.153 0.020 1 499 107 109 LYS C C 176.262 0.3 1 500 107 109 LYS CA C 54.574 0.3 1 501 107 109 LYS CB C 39.623 0.3 1 502 107 109 LYS N N 114.040 0.3 1 503 108 110 PHE H H 11.598 0.020 1 504 108 110 PHE C C 177.828 0.3 1 505 108 110 PHE CA C 56.688 0.3 1 506 108 110 PHE CB C 42.044 0.3 1 507 108 110 PHE N N 122.950 0.3 1 508 109 111 LYS H H 9.237 0.020 1 509 109 111 LYS C C 173.152 0.3 1 510 109 111 LYS CA C 56.218 0.3 1 511 109 111 LYS CB C 38.449 0.3 1 512 109 111 LYS N N 122.782 0.3 1 513 110 112 GLN H H 8.881 0.020 1 514 110 112 GLN C C 175.150 0.3 1 515 110 112 GLN CA C 55.891 0.3 1 516 110 112 GLN CB C 29.447 0.3 1 517 110 112 GLN N N 127.101 0.3 1 518 111 113 GLY H H 7.146 0.020 1 519 111 113 GLY C C 171.543 0.3 1 520 111 113 GLY CA C 44.633 0.3 1 521 111 113 GLY N N 114.002 0.3 1 522 112 114 GLY H H 7.603 0.020 1 523 112 114 GLY C C 174.823 0.3 1 524 112 114 GLY CA C 43.381 0.3 1 525 112 114 GLY N N 102.554 0.3 1 526 113 115 GLY H H 8.080 0.020 1 527 113 115 GLY C C 174.750 0.3 1 528 113 115 GLY CA C 44.822 0.3 1 529 113 115 GLY N N 104.384 0.3 1 530 114 116 HIS H H 7.477 0.020 1 531 114 116 HIS C C 177.658 0.3 1 532 114 116 HIS CA C 55.118 0.3 1 533 114 116 HIS CB C 31.738 0.3 1 534 114 116 HIS N N 114.319 0.3 1 535 115 117 GLY H H 8.438 0.020 1 536 115 117 GLY C C 175.368 0.3 1 537 115 117 GLY CA C 46.986 0.3 1 538 115 117 GLY N N 112.045 0.3 1 539 116 118 GLY H H 11.031 0.020 1 540 116 118 GLY C C 174.132 0.3 1 541 116 118 GLY CA C 45.024 0.3 1 542 116 118 GLY N N 112.727 0.3 1 543 117 119 HIS H H 8.257 0.020 1 544 117 119 HIS C C 176.822 0.3 1 545 117 119 HIS CA C 57.392 0.3 1 546 117 119 HIS CB C 32.190 0.3 1 547 117 119 HIS N N 124.830 0.3 1 548 118 120 ASN H H 9.331 0.020 1 549 118 120 ASN C C 178.531 0.3 1 550 118 120 ASN CA C 56.592 0.3 1 551 118 120 ASN CB C 36.960 0.3 1 552 118 120 ASN N N 127.526 0.3 1 553 119 121 GLY H H 9.531 0.020 1 554 119 121 GLY C C 177.163 0.3 1 555 119 121 GLY CA C 47.373 0.3 1 556 119 121 GLY N N 112.553 0.3 1 557 120 122 LEU H H 8.116 0.020 1 558 120 122 LEU C C 178.729 0.3 1 559 120 122 LEU CA C 57.940 0.3 1 560 120 122 LEU CB C 42.833 0.3 1 561 120 122 LEU N N 125.768 0.3 1 562 121 123 LYS H H 8.682 0.020 1 563 121 123 LYS C C 177.496 0.3 1 564 121 123 LYS CA C 60.837 0.3 1 565 121 123 LYS CB C 33.204 0.3 1 566 121 123 LYS N N 120.178 0.3 1 567 122 124 ASP H H 7.277 0.020 1 568 122 124 ASP C C 178.107 0.3 1 569 122 124 ASP CA C 58.175 0.3 1 570 122 124 ASP CB C 43.694 0.3 1 571 122 124 ASP N N 117.542 0.3 1 572 123 125 THR H H 7.602 0.020 1 573 123 125 THR C C 174.568 0.3 1 574 123 125 THR CA C 69.447 0.3 1 575 123 125 THR CB C 67.803 0.3 1 576 123 125 THR N N 116.712 0.3 1 577 124 126 ILE H H 8.059 0.020 1 578 124 126 ILE C C 178.894 0.3 1 579 124 126 ILE CA C 65.424 0.3 1 580 124 126 ILE CB C 39.593 0.3 1 581 124 126 ILE N N 118.792 0.3 1 582 125 127 SER H H 7.382 0.020 1 583 125 127 SER C C 178.729 0.3 1 584 125 127 SER CA C 61.619 0.3 1 585 125 127 SER CB C 63.263 0.3 1 586 125 127 SER N N 111.215 0.3 1 587 126 128 LYS H H 8.467 0.020 1 588 126 128 LYS C C 178.204 0.3 1 589 126 128 LYS CA C 58.019 0.3 1 590 126 128 LYS CB C 31.604 0.3 1 591 126 128 LYS N N 119.584 0.3 1 592 127 129 LEU H H 7.727 0.020 1 593 127 129 LEU C C 176.459 0.3 1 594 127 129 LEU CA C 54.343 0.3 1 595 127 129 LEU CB C 40.530 0.3 1 596 127 129 LEU N N 119.799 0.3 1 597 128 130 GLY H H 7.747 0.020 1 598 128 130 GLY C C 175.186 0.3 1 599 128 130 GLY CA C 46.903 0.3 1 600 128 130 GLY N N 107.939 0.3 1 601 129 131 ASN H H 8.226 0.020 1 602 129 131 ASN C C 174.968 0.3 1 603 129 131 ASN CA C 54.261 0.3 1 604 129 131 ASN CB C 37.040 0.3 1 605 129 131 ASN N N 115.758 0.3 1 606 131 133 LYS C C 178.567 0.3 1 607 131 133 LYS CA C 55.730 0.3 1 608 131 133 LYS CB C 33.252 0.3 1 609 132 134 GLU H H 8.661 0.020 1 610 132 134 GLU C C 175.318 0.3 1 611 132 134 GLU CA C 56.923 0.3 1 612 132 134 GLU CB C 27.803 0.3 1 613 132 134 GLU N N 119.529 0.3 1 614 133 135 PHE H H 6.640 0.020 1 615 133 135 PHE C C 177.622 0.3 1 616 133 135 PHE CA C 55.201 0.3 1 617 133 135 PHE CB C 40.249 0.3 1 618 133 135 PHE N N 114.479 0.3 1 619 134 136 TYR H H 9.210 0.020 1 620 134 136 TYR C C 176.095 0.3 1 621 134 136 TYR CA C 59.506 0.3 1 622 134 136 TYR CB C 41.658 0.3 1 623 134 136 TYR N N 121.166 0.3 1 624 135 137 ARG H H 9.866 0.020 1 625 135 137 ARG C C 174.353 0.3 1 626 135 137 ARG CA C 54.758 0.3 1 627 135 137 ARG CB C 32.187 0.3 1 628 135 137 ARG N N 119.822 0.3 1 629 136 138 LEU H H 8.555 0.020 1 630 136 138 LEU C C 173.131 0.3 1 631 136 138 LEU CA C 54.731 0.3 1 632 136 138 LEU CB C 42.989 0.3 1 633 136 138 LEU N N 126.337 0.3 1 634 137 139 ARG H H 9.205 0.020 1 635 137 139 ARG C C 174.010 0.3 1 636 137 139 ARG CA C 54.484 0.3 1 637 137 139 ARG CB C 32.265 0.3 1 638 137 139 ARG N N 124.459 0.3 1 639 138 140 LEU H H 8.590 0.020 1 640 138 140 LEU C C 175.940 0.3 1 641 138 140 LEU CA C 53.870 0.3 1 642 138 140 LEU CB C 41.580 0.3 1 643 138 140 LEU N N 125.801 0.3 1 644 139 141 GLY H H 8.555 0.020 1 645 139 141 GLY C C 174.353 0.3 1 646 139 141 GLY CA C 48.782 0.3 1 647 139 141 GLY N N 113.422 0.3 1 648 140 142 ILE H H 8.091 0.020 1 649 140 142 ILE C C 178.604 0.3 1 650 140 142 ILE CA C 60.837 0.3 1 651 140 142 ILE CB C 42.050 0.3 1 652 140 142 ILE N N 112.017 0.3 1 653 141 143 GLY H H 9.400 0.020 1 654 141 143 GLY C C 167.407 0.3 1 655 141 143 GLY CA C 45.416 0.3 1 656 141 143 GLY N N 116.313 0.3 1 657 142 144 HIS H H 7.590 0.020 1 658 142 144 HIS C C 175.223 0.3 1 659 142 144 HIS CA C 53.087 0.3 1 660 142 144 HIS CB C 33.942 0.3 1 661 142 144 HIS N N 112.848 0.3 1 662 143 145 PRO C C 176.713 0.3 1 663 143 145 PRO CA C 62.922 0.3 1 664 143 145 PRO CB C 32.828 0.3 1 665 144 146 GLY H H 8.106 0.020 1 666 144 146 GLY C C 174.496 0.3 1 667 144 146 GLY CA C 44.563 0.3 1 668 144 146 GLY N N 106.533 0.3 1 669 145 147 HIS H H 7.021 0.020 1 670 145 147 HIS C C 176.495 0.3 1 671 145 147 HIS CA C 57.079 0.3 1 672 145 147 HIS CB C 34.144 0.3 1 673 145 147 HIS N N 117.541 0.3 1 674 146 148 LYS C C 178.422 0.3 1 675 146 148 LYS CA C 59.453 0.3 1 676 146 148 LYS CB C 32.266 0.3 1 677 147 149 ASP H H 10.475 0.020 1 678 147 149 ASP C C 177.222 0.3 1 679 147 149 ASP CA C 56.059 0.3 1 680 147 149 ASP CB C 40.093 0.3 1 681 147 149 ASP N N 121.796 0.3 1 682 148 150 LYS H H 7.739 0.020 1 683 148 150 LYS C C 177.163 0.3 1 684 148 150 LYS CA C 55.827 0.3 1 685 148 150 LYS CB C 34.271 0.3 1 686 148 150 LYS N N 116.953 0.3 1 687 149 151 VAL H H 7.335 0.020 1 688 149 151 VAL C C 176.241 0.3 1 689 149 151 VAL CA C 68.103 0.3 1 690 149 151 VAL CB C 32.109 0.3 1 691 149 151 VAL N N 121.300 0.3 1 692 150 152 ALA H H 8.660 0.020 1 693 150 152 ALA C C 180.016 0.3 1 694 150 152 ALA CA C 55.827 0.3 1 695 150 152 ALA CB C 17.627 0.3 1 696 150 152 ALA N N 122.133 0.3 1 697 151 153 GLY H H 8.342 0.020 1 698 151 153 GLY C C 175.841 0.3 1 699 151 153 GLY CA C 45.964 0.3 1 700 151 153 GLY N N 102.441 0.3 1 701 152 154 TYR H H 7.912 0.020 1 702 152 154 TYR C C 179.694 0.3 1 703 152 154 TYR CA C 61.385 0.3 1 704 152 154 TYR CB C 40.484 0.3 1 705 152 154 TYR N N 123.395 0.3 1 706 153 155 VAL H H 8.609 0.020 1 707 153 155 VAL C C 175.620 0.3 1 708 153 155 VAL CA C 65.142 0.3 1 709 153 155 VAL CB C 31.091 0.3 1 710 153 155 VAL N N 112.844 0.3 1 711 154 156 LEU H H 6.895 0.020 1 712 154 156 LEU C C 175.005 0.3 1 713 154 156 LEU CA C 53.948 0.3 1 714 154 156 LEU CB C 40.641 0.3 1 715 154 156 LEU N N 117.742 0.3 1 716 155 157 GLY H H 7.305 0.020 1 717 155 157 GLY C C 171.844 0.3 1 718 155 157 GLY CA C 43.615 0.3 1 719 155 157 GLY N N 107.868 0.3 1 720 156 158 LYS H H 8.135 0.020 1 721 156 158 LYS C C 176.386 0.3 1 722 156 158 LYS CA C 54.887 0.3 1 723 156 158 LYS CB C 33.518 0.3 1 724 156 158 LYS N N 118.430 0.3 1 725 157 159 ALA H H 9.739 0.020 1 726 157 159 ALA C C 175.695 0.3 1 727 157 159 ALA CA C 50.895 0.3 1 728 157 159 ALA CB C 17.784 0.3 1 729 157 159 ALA N N 130.734 0.3 1 730 158 160 PRO C C 176.624 0.3 1 731 158 160 PRO CA C 62.167 0.3 1 732 158 160 PRO CB C 32.343 0.3 1 733 159 161 ALA H H 8.546 0.020 1 734 159 161 ALA C C 179.731 0.3 1 735 159 161 ALA CA C 56.766 0.3 1 736 159 161 ALA CB C 18.723 0.3 1 737 159 161 ALA N N 123.803 0.3 1 738 160 162 LYS H H 8.847 0.020 1 739 160 162 LYS C C 179.115 0.3 1 740 160 162 LYS CA C 58.958 0.3 1 741 160 162 LYS CB C 31.561 0.3 1 742 160 162 LYS N N 116.951 0.3 1 743 161 163 GLU H H 6.949 0.020 1 744 161 163 GLU C C 178.707 0.3 1 745 161 163 GLU CA C 59.349 0.3 1 746 161 163 GLU CB C 31.247 0.3 1 747 161 163 GLU N N 118.779 0.3 1 748 162 164 GLN H H 8.970 0.020 1 749 162 164 GLN C C 177.184 0.3 1 750 162 164 GLN CA C 58.019 0.3 1 751 162 164 GLN CB C 28.273 0.3 1 752 162 164 GLN N N 120.420 0.3 1 753 163 165 GLU H H 8.023 0.020 1 754 163 165 GLU C C 180.130 0.3 1 755 163 165 GLU CA C 59.897 0.3 1 756 163 165 GLU CB C 29.760 0.3 1 757 163 165 GLU N N 118.029 0.3 1 758 164 166 CYS H H 7.266 0.020 1 759 164 166 CYS C C 176.677 0.3 1 760 164 166 CYS CA C 63.420 0.3 1 761 164 166 CYS CB C 26.316 0.3 1 762 164 166 CYS N N 118.889 0.3 1 763 165 167 LEU H H 8.326 0.020 1 764 165 167 LEU C C 178.931 0.3 1 765 165 167 LEU CA C 58.410 0.3 1 766 165 167 LEU CB C 42.285 0.3 1 767 165 167 LEU N N 121.457 0.3 1 768 166 168 ASP H H 9.147 0.020 1 769 166 168 ASP C C 179.029 0.3 1 770 166 168 ASP CA C 57.392 0.3 1 771 166 168 ASP CB C 39.701 0.3 1 772 166 168 ASP N N 119.629 0.3 1 773 167 169 ALA H H 7.716 0.020 1 774 167 169 ALA C C 180.616 0.3 1 775 167 169 ALA CA C 54.966 0.3 1 776 167 169 ALA CB C 18.488 0.3 1 777 167 169 ALA N N 122.442 0.3 1 778 168 170 ALA H H 8.137 0.020 1 779 168 170 ALA C C 180.917 0.3 1 780 168 170 ALA CA C 55.435 0.3 1 781 168 170 ALA CB C 17.705 0.3 1 782 168 170 ALA N N 122.779 0.3 1 783 169 171 VAL H H 9.023 0.020 1 784 169 171 VAL C C 177.404 0.3 1 785 169 171 VAL CA C 67.725 0.3 1 786 169 171 VAL CB C 31.639 0.3 1 787 169 171 VAL N N 124.790 0.3 1 788 170 172 ASP H H 8.115 0.020 1 789 170 172 ASP C C 178.858 0.3 1 790 170 172 ASP CA C 57.862 0.3 1 791 170 172 ASP CB C 40.511 0.3 1 792 170 172 ASP N N 119.539 0.3 1 793 171 173 GLU H H 7.789 0.020 1 794 171 173 GLU C C 179.050 0.3 1 795 171 173 GLU CA C 58.175 0.3 1 796 171 173 GLU CB C 28.116 0.3 1 797 171 173 GLU N N 119.971 0.3 1 798 172 174 SER H H 8.434 0.020 1 799 172 174 SER C C 175.804 0.3 1 800 172 174 SER CA C 64.594 0.3 1 801 172 174 SER CB C 62.794 0.3 1 802 172 174 SER N N 119.397 0.3 1 803 173 175 VAL H H 8.285 0.020 1 804 173 175 VAL C C 178.204 0.3 1 805 173 175 VAL CA C 67.803 0.3 1 806 173 175 VAL CB C 31.089 0.3 1 807 173 175 VAL N N 122.075 0.3 1 808 174 176 ARG H H 7.631 0.020 1 809 174 176 ARG C C 180.938 0.3 1 810 174 176 ARG CA C 59.506 0.3 1 811 174 176 ARG CB C 30.073 0.3 1 812 174 176 ARG N N 118.807 0.3 1 813 175 177 CYS H H 8.621 0.020 1 814 175 177 CYS C C 176.541 0.3 1 815 175 177 CYS CA C 64.437 0.3 1 816 175 177 CYS CB C 27.255 0.3 1 817 175 177 CYS N N 117.156 0.3 1 818 176 178 LEU H H 8.673 0.020 1 819 176 178 LEU C C 178.450 0.3 1 820 176 178 LEU CA C 57.862 0.3 1 821 176 178 LEU CB C 41.893 0.3 1 822 176 178 LEU N N 125.592 0.3 1 823 177 179 GLU H H 7.491 0.020 1 824 177 179 GLU C C 179.222 0.3 1 825 177 179 GLU CA C 60.329 0.3 1 826 177 179 GLU CB C 29.212 0.3 1 827 177 179 GLU N N 118.458 0.3 1 828 178 180 ILE H H 7.388 0.020 1 829 178 180 ILE C C 177.695 0.3 1 830 178 180 ILE CA C 65.142 0.3 1 831 178 180 ILE CB C 38.527 0.3 1 832 178 180 ILE N N 119.025 0.3 1 833 179 181 LEU H H 8.476 0.020 1 834 179 181 LEU C C 178.129 0.3 1 835 179 181 LEU CA C 58.645 0.3 1 836 179 181 LEU CB C 41.893 0.3 1 837 179 181 LEU N N 123.937 0.3 1 838 180 182 MET H H 7.134 0.020 1 839 180 182 MET C C 176.350 0.3 1 840 180 182 MET CA C 55.905 0.3 1 841 180 182 MET CB C 31.013 0.3 1 842 180 182 MET N N 113.163 0.3 1 843 181 183 LYS H H 7.627 0.020 1 844 181 183 LYS C C 176.350 0.3 1 845 181 183 LYS CA C 58.723 0.3 1 846 181 183 LYS CB C 34.927 0.3 1 847 181 183 LYS N N 118.163 0.3 1 848 182 184 ASP H H 9.163 0.020 1 849 182 184 ASP C C 177.331 0.3 1 850 182 184 ASP CA C 54.887 0.3 1 851 182 184 ASP CB C 44.790 0.3 1 852 182 184 ASP N N 116.924 0.3 1 853 183 185 GLY H H 7.707 0.020 1 854 183 185 GLY C C 173.260 0.3 1 855 183 185 GLY CA C 44.641 0.3 1 856 183 185 GLY N N 110.574 0.3 1 857 184 186 LEU H H 8.337 0.020 1 858 184 186 LEU C C 177.586 0.3 1 859 184 186 LEU CA C 58.410 0.3 1 860 184 186 LEU CB C 42.206 0.3 1 861 184 186 LEU N N 118.917 0.3 1 862 185 187 THR H H 8.294 0.020 1 863 185 187 THR C C 176.422 0.3 1 864 185 187 THR CA C 67.021 0.3 1 865 185 187 THR CB C 68.351 0.3 1 866 185 187 THR N N 115.744 0.3 1 867 186 188 LYS H H 8.209 0.020 1 868 186 188 LYS C C 179.329 0.3 1 869 186 188 LYS CA C 59.547 0.3 1 870 186 188 LYS CB C 32.343 0.3 1 871 186 188 LYS N N 120.316 0.3 1 872 187 189 ALA H H 7.544 0.020 1 873 187 189 ALA C C 178.772 0.3 1 874 187 189 ALA CA C 55.905 0.3 1 875 187 189 ALA CB C 19.584 0.3 1 876 187 189 ALA N N 122.025 0.3 1 877 188 190 GLN H H 9.092 0.020 1 878 188 190 GLN C C 176.863 0.3 1 879 188 190 GLN CA C 59.036 0.3 1 880 188 190 GLN CB C 29.056 0.3 1 881 188 190 GLN N N 118.025 0.3 1 882 189 191 ASN H H 8.234 0.020 1 883 189 191 ASN C C 177.368 0.3 1 884 189 191 ASN CA C 55.670 0.3 1 885 189 191 ASN CB C 37.979 0.3 1 886 189 191 ASN N N 117.295 0.3 1 887 190 192 ARG H H 7.190 0.020 1 888 190 192 ARG C C 178.428 0.3 1 889 190 192 ARG CA C 59.036 0.3 1 890 190 192 ARG CB C 29.760 0.3 1 891 190 192 ARG N N 117.448 0.3 1 892 191 193 LEU H H 8.586 0.020 1 893 191 193 LEU C C 179.373 0.3 1 894 191 193 LEU CA C 58.645 0.3 1 895 191 193 LEU CB C 41.502 0.3 1 896 191 193 LEU N N 122.144 0.3 1 897 192 194 HIS H H 8.997 0.020 1 898 192 194 HIS C C 177.163 0.3 1 899 192 194 HIS CA C 57.001 0.3 1 900 192 194 HIS CB C 28.351 0.3 1 901 192 194 HIS N N 113.737 0.3 1 902 193 195 THR H H 7.609 0.020 1 903 193 195 THR C C 174.053 0.3 1 904 193 195 THR CA C 62.011 0.3 1 905 193 195 THR CB C 69.995 0.3 1 906 193 195 THR N N 110.322 0.3 1 907 194 196 PHE H H 7.699 0.020 1 908 194 196 PHE C C 175.640 0.3 1 909 194 196 PHE CA C 59.271 0.3 1 910 194 196 PHE CB C 39.858 0.3 1 911 194 196 PHE N N 124.894 0.3 1 912 195 197 LYS H H 7.573 0.020 1 913 195 197 LYS C C 173.914 0.3 1 914 195 197 LYS CA C 56.453 0.3 1 915 195 197 LYS CB C 34.927 0.3 1 916 195 197 LYS N N 128.713 0.3 1 917 196 198 ALA H H 8.300 0.020 1 918 196 198 ALA C C 175.619 0.3 1 919 196 198 ALA CA C 52.148 0.3 1 920 196 198 ALA CB C 20.602 0.3 1 921 196 198 ALA N N 129.707 0.3 1 922 197 199 GLU H H 7.820 0.020 1 923 197 199 GLU C C 180.616 0.3 1 924 197 199 GLU CA C 57.471 0.3 1 925 197 199 GLU CB C 32.500 0.3 1 926 197 199 GLU N N 125.451 0.3 1 stop_ save_