data_26761 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Backbone assignment of the Xylanase B2 from Streptomyces lividans ; _BMRB_accession_number 26761 _BMRB_flat_file_name bmr26761.str _Entry_type original _Submission_date 2016-03-19 _Accession_date 2016-03-19 _Entry_origination author _NMR_STAR_version 2.1.1 _Experimental_method NMR _Details . loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Gagne Donald . . 2 'Nguyen Thi' Nhung . . 3 Narayanan Chitra . . 4 Roux Louise . . 5 Brunzelle Joseph . . 6 Couture Jean-Francois . . 7 Agarwal Pratul . . 8 Doucet Nicolas . . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 146 "13C chemical shifts" 446 "15N chemical shifts" 147 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2016-10-26 update BMRB 'update entry citation' 2016-04-22 original author 'original release' stop_ _Original_release_date 2016-04-22 save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full . _Citation_title ; Ligand Binding Enhances Millisecond Conformational Exchange in Xylanase B2 from Streptomyces lividans ; _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 27387012 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Gagne Donald . . 2 'Nguyen Thi' Nhung . . 3 Narayanan Chitra . . 4 Roux Louise . . 5 Brunzelle Joseph . . 6 Couture Jean-Francois . . 7 Agarwal Pratul . . 8 Doucet Nicolas . . stop_ _Journal_abbreviation Biochemistry _Journal_volume 55 _Journal_issue 30 _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 4184 _Page_last 4196 _Year 2016 _Details . save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name XlnB2 _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label XlnB2 $XlnB2 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_XlnB2 _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common XlnB2 _Molecular_mass . _Mol_thiol_state 'not available' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 191 _Mol_residue_sequence ; DTVVTTNQEGTNNGYYYSFW TDSQGTVSMNMGSGGQYSTS WRNTGNFVAGKGWANGGRRT VQYSGSFNPSGNAYLALYGW TSNPLVEYYIVDNWGTYRPT GEYKGTVTSDGGTYDIYKTT RVNKPSVEGTRTFDQYWSVR QSKRTGGTITTGNHFDAWAR AGMPLGNFSYYMIMATEGYQ SSGSSSINVGG ; loop_ _Residue_seq_code _Residue_label 1 ASP 2 THR 3 VAL 4 VAL 5 THR 6 THR 7 ASN 8 GLN 9 GLU 10 GLY 11 THR 12 ASN 13 ASN 14 GLY 15 TYR 16 TYR 17 TYR 18 SER 19 PHE 20 TRP 21 THR 22 ASP 23 SER 24 GLN 25 GLY 26 THR 27 VAL 28 SER 29 MET 30 ASN 31 MET 32 GLY 33 SER 34 GLY 35 GLY 36 GLN 37 TYR 38 SER 39 THR 40 SER 41 TRP 42 ARG 43 ASN 44 THR 45 GLY 46 ASN 47 PHE 48 VAL 49 ALA 50 GLY 51 LYS 52 GLY 53 TRP 54 ALA 55 ASN 56 GLY 57 GLY 58 ARG 59 ARG 60 THR 61 VAL 62 GLN 63 TYR 64 SER 65 GLY 66 SER 67 PHE 68 ASN 69 PRO 70 SER 71 GLY 72 ASN 73 ALA 74 TYR 75 LEU 76 ALA 77 LEU 78 TYR 79 GLY 80 TRP 81 THR 82 SER 83 ASN 84 PRO 85 LEU 86 VAL 87 GLU 88 TYR 89 TYR 90 ILE 91 VAL 92 ASP 93 ASN 94 TRP 95 GLY 96 THR 97 TYR 98 ARG 99 PRO 100 THR 101 GLY 102 GLU 103 TYR 104 LYS 105 GLY 106 THR 107 VAL 108 THR 109 SER 110 ASP 111 GLY 112 GLY 113 THR 114 TYR 115 ASP 116 ILE 117 TYR 118 LYS 119 THR 120 THR 121 ARG 122 VAL 123 ASN 124 LYS 125 PRO 126 SER 127 VAL 128 GLU 129 GLY 130 THR 131 ARG 132 THR 133 PHE 134 ASP 135 GLN 136 TYR 137 TRP 138 SER 139 VAL 140 ARG 141 GLN 142 SER 143 LYS 144 ARG 145 THR 146 GLY 147 GLY 148 THR 149 ILE 150 THR 151 THR 152 GLY 153 ASN 154 HIS 155 PHE 156 ASP 157 ALA 158 TRP 159 ALA 160 ARG 161 ALA 162 GLY 163 MET 164 PRO 165 LEU 166 GLY 167 ASN 168 PHE 169 SER 170 TYR 171 TYR 172 MET 173 ILE 174 MET 175 ALA 176 THR 177 GLU 178 GLY 179 TYR 180 GLN 181 SER 182 SER 183 GLY 184 SER 185 SER 186 SER 187 ILE 188 ASN 189 VAL 190 GLY 191 GLY stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date . save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species $XlnB2 'Streptomyces lividans' 1916 Bacteria . Streptomyces lividans 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 $XlnB2 'recombinant technology' . Streptomyces lividans . pIAF935 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 $XlnB2 3 g/L '[U-100% 15N]' $XlnB2 2 g/L '[U-100% 13C]' stop_ save_ ############################ # Computer software used # ############################ save_NMRView _Saveframe_category software _Name NMRView _Version . loop_ _Vendor _Address _Electronic_address 'Johnson, One Moon Scientific' . . 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 800 _Details . save_ save_spectrometer_2 _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_HNCO_2 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCO' _Sample_label $sample_1 save_ save_3D_HNCACB_3 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCACB' _Sample_label $sample_1 save_ save_3D_CBCA(CO)NH_4 _Saveframe_category NMR_applied_experiment _Experiment_name '3D CBCA(CO)NH' _Sample_label $sample_1 save_ save_2D_1H-1H_NOESY_5 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-1H NOESY' _Sample_label $sample_1 save_ save_3D_HCACO_6 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HCACO' _Sample_label $sample_1 save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Saveframe_category sample_conditions _Details . loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units 'ionic strength' 20 . mM pH 6.5 . pH pressure 1 . atm temperature 298 . K stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference_1 _Saveframe_category chemical_shift_reference _Details . loop_ _Mol_common_name _Atom_type _Atom_isotope_number _Atom_group _Chem_shift_units _Chem_shift_value _Reference_method _Reference_type _External_reference_sample_geometry _External_reference_location _External_reference_axis _Indirect_shift_ratio na C 13 'methyl carbon' ppm 0 internal direct . . . 1 na H 1 protons ppm 0 internal direct . . . 1 na N 15 nitrogen ppm 0 internal direct . . . 1 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 '3D HNCO' stop_ loop_ _Sample_label $sample_1 stop_ _Sample_conditions_label $sample_conditions_1 _Chem_shift_reference_set_label $chemical_shift_reference_1 _Mol_system_component_name XlnB2 _Text_data_format . _Text_data . loop_ _Atom_shift_assign_ID _Residue_author_seq_code _Residue_seq_code _Residue_label _Atom_name _Atom_type _Chem_shift_value _Chem_shift_value_error _Chem_shift_ambiguity_code 1 1 1 ASP C C 172.251 . . 2 1 1 ASP CA C 54.097 . . 3 1 1 ASP CB C 39.796 . . 4 2 2 THR H H 8.298 . . 5 2 2 THR C C 172.591 . . 6 2 2 THR CA C 62.408 . . 7 2 2 THR CB C 70.740 . . 8 2 2 THR N N 117.042 . . 9 3 3 VAL H H 8.743 . . 10 3 3 VAL C C 175.301 . . 11 3 3 VAL CA C 61.757 . . 12 3 3 VAL CB C 32.916 . . 13 3 3 VAL N N 128.556 . . 14 4 4 VAL H H 9.433 . . 15 4 4 VAL C C 174.562 . . 16 4 4 VAL CA C 61.431 . . 17 4 4 VAL CB C 34.266 . . 18 4 4 VAL N N 129.642 . . 19 5 5 THR H H 8.612 . . 20 5 5 THR C C 174.249 . . 21 5 5 THR CA C 60.976 . . 22 5 5 THR CB C 70.631 . . 23 5 5 THR N N 112.045 . . 24 6 6 THR H H 7.029 . . 25 6 6 THR C C 172.502 . . 26 6 6 THR CA C 58.654 . . 27 6 6 THR CB C 71.915 . . 28 6 6 THR N N 113.493 . . 29 7 7 ASN H H 8.375 . . 30 7 7 ASN C C 176.506 . . 31 7 7 ASN CB C 37.507 . . 32 7 7 ASN N N 120.527 . . 33 8 8 GLN H H 8.958 . . 34 8 8 GLN C C 172.082 . . 35 8 8 GLN CA C 56.043 . . 36 8 8 GLN CB C 33.021 . . 37 8 8 GLN N N 120.653 . . 38 9 9 GLU H H 8.050 . . 39 9 9 GLU C C 174.434 . . 40 9 9 GLU CA C 53.692 . . 41 9 9 GLU CB C 31.900 . . 42 9 9 GLU N N 115.639 . . 43 10 10 GLY H H 6.707 . . 44 10 10 GLY C C 170.430 . . 45 10 10 GLY CA C 45.761 . . 46 10 10 GLY N N 106.364 . . 47 11 11 THR H H 8.359 . . 48 11 11 THR C C 174.363 . . 49 11 11 THR CA C 60.254 . . 50 11 11 THR CB C 71.252 . . 51 11 11 THR N N 112.608 . . 52 12 12 ASN H H 9.902 . . 53 12 12 ASN C C 172.902 . . 54 12 12 ASN CA C 54.308 . . 55 12 12 ASN CB C 44.515 . . 56 12 12 ASN N N 124.138 . . 57 13 13 ASN H H 9.626 . . 58 13 13 ASN C C 172.903 . . 59 13 13 ASN CA C 55.416 . . 60 13 13 ASN CB C 38.702 . . 61 13 13 ASN N N 124.302 . . 62 14 14 GLY H H 8.513 . . 63 14 14 GLY C C 174.142 . . 64 14 14 GLY CA C 45.054 . . 65 14 14 GLY N N 101.482 . . 66 15 15 TYR H H 8.184 . . 67 15 15 TYR C C 174.842 . . 68 15 15 TYR CA C 57.957 . . 69 15 15 TYR CB C 40.460 . . 70 15 15 TYR N N 120.363 . . 71 16 16 TYR H H 7.898 . . 72 16 16 TYR C C 174.271 . . 73 16 16 TYR CA C 57.818 . . 74 16 16 TYR CB C 40.346 . . 75 16 16 TYR N N 125.021 . . 76 17 17 TYR H H 8.221 . . 77 17 17 TYR C C 170.832 . . 78 17 17 TYR CA C 55.574 . . 79 17 17 TYR CB C 43.276 . . 80 17 17 TYR N N 124.421 . . 81 18 18 SER H H 7.670 . . 82 18 18 SER C C 172.076 . . 83 18 18 SER CA C 56.661 . . 84 18 18 SER CB C 64.322 . . 85 18 18 SER N N 109.557 . . 86 19 19 PHE H H 8.731 . . 87 19 19 PHE C C 173.601 . . 88 19 19 PHE CA C 57.966 . . 89 19 19 PHE CB C 43.795 . . 90 19 19 PHE N N 127.388 . . 91 20 20 TRP H H 8.282 . . 92 20 20 TRP CA C 57.579 . . 93 20 20 TRP CB C 31.916 . . 94 20 20 TRP N N 130.541 . . 95 23 23 SER C C 174.304 . . 96 23 23 SER CA C 58.550 . . 97 23 23 SER CB C 64.473 . . 98 24 24 GLN H H 9.620 . . 99 24 24 GLN C C 176.788 . . 100 24 24 GLN CA C 55.529 . . 101 24 24 GLN N N 124.117 . . 102 25 25 GLY H H 9.011 . . 103 25 25 GLY C C 173.821 . . 104 25 25 GLY CA C 45.827 . . 105 25 25 GLY N N 105.414 . . 106 30 30 ASN C C 175.467 . . 107 30 30 ASN CA C 51.773 . . 108 30 30 ASN CB C 39.763 . . 109 31 31 MET H H 9.231 . . 110 31 31 MET C C 175.114 . . 111 31 31 MET CA C 56.413 . . 112 31 31 MET CB C 34.354 . . 113 31 31 MET N N 122.697 . . 114 32 32 GLY H H 7.586 . . 115 32 32 GLY C C 172.007 . . 116 32 32 GLY CA C 43.261 . . 117 32 32 GLY N N 114.546 . . 118 33 33 SER H H 8.154 . . 119 33 33 SER C C 175.031 . . 120 33 33 SER CA C 59.034 . . 121 33 33 SER CB C 63.583 . . 122 33 33 SER N N 112.901 . . 123 34 34 GLY H H 8.507 . . 124 34 34 GLY C C 173.675 . . 125 34 34 GLY CA C 47.603 . . 126 34 34 GLY N N 111.757 . . 127 35 35 GLY H H 8.995 . . 128 35 35 GLY C C 175.528 . . 129 35 35 GLY CA C 45.161 . . 130 35 35 GLY N N 117.754 . . 131 36 36 GLN H H 7.744 . . 132 36 36 GLN C C 178.711 . . 133 36 36 GLN CA C 56.652 . . 134 36 36 GLN CB C 29.832 . . 135 36 36 GLN N N 120.197 . . 136 37 37 TYR H H 9.856 . . 137 37 37 TYR C C 170.967 . . 138 37 37 TYR CA C 57.442 . . 139 37 37 TYR CB C 42.092 . . 140 37 37 TYR N N 127.116 . . 141 38 38 SER H H 9.590 . . 142 38 38 SER C C 174.312 . . 143 38 38 SER CA C 56.471 . . 144 38 38 SER CB C 66.470 . . 145 38 38 SER N N 115.473 . . 146 39 39 THR H H 9.572 . . 147 39 39 THR C C 175.074 . . 148 39 39 THR CA C 60.656 . . 149 39 39 THR CB C 73.182 . . 150 39 39 THR N N 111.348 . . 151 40 40 SER H H 8.089 . . 152 40 40 SER C C 173.008 . . 153 40 40 SER CA C 57.555 . . 154 40 40 SER CB C 64.846 . . 155 40 40 SER N N 115.241 . . 156 41 41 TRP H H 9.137 . . 157 41 41 TRP C C 174.815 . . 158 41 41 TRP CB C 33.017 . . 159 41 41 TRP N N 126.931 . . 160 48 48 VAL C C 174.599 . . 161 48 48 VAL CA C 62.156 . . 162 48 48 VAL CB C 35.412 . . 163 49 49 ALA H H 8.752 . . 164 49 49 ALA C C 175.309 . . 165 49 49 ALA CA C 50.575 . . 166 49 49 ALA CB C 23.870 . . 167 49 49 ALA N N 130.011 . . 168 50 50 GLY H H 7.975 . . 169 50 50 GLY C C 170.803 . . 170 50 50 GLY CA C 45.466 . . 171 50 50 GLY N N 102.959 . . 172 51 51 LYS H H 5.872 . . 173 51 51 LYS C C 176.347 . . 174 51 51 LYS CA C 54.187 . . 175 51 51 LYS N N 114.902 . . 176 52 52 GLY C C 170.435 . . 177 52 52 GLY CA C 47.984 . . 178 53 53 TRP H H 9.592 . . 179 53 53 TRP C C 174.400 . . 180 53 53 TRP CA C 60.127 . . 181 53 53 TRP CB C 33.141 . . 182 53 53 TRP N N 129.153 . . 183 54 54 ALA H H 8.889 . . 184 54 54 ALA C C 176.462 . . 185 54 54 ALA CA C 53.605 . . 186 54 54 ALA CB C 18.607 . . 187 54 54 ALA N N 124.484 . . 188 55 55 ASN H H 7.400 . . 189 55 55 ASN C C 175.492 . . 190 55 55 ASN CA C 52.126 . . 191 55 55 ASN CB C 42.449 . . 192 55 55 ASN N N 109.616 . . 193 56 56 GLY H H 7.689 . . 194 56 56 GLY C C 169.745 . . 195 56 56 GLY CA C 45.862 . . 196 56 56 GLY N N 104.830 . . 197 57 57 GLY C C 172.227 . . 198 57 57 GLY CA C 43.893 . . 199 58 58 ARG H H 8.302 . . 200 58 58 ARG C C 174.736 . . 201 58 58 ARG CA C 56.300 . . 202 58 58 ARG CB C 29.090 . . 203 58 58 ARG N N 120.589 . . 204 59 59 ARG H H 8.269 . . 205 59 59 ARG C C 174.123 . . 206 59 59 ARG CA C 55.168 . . 207 59 59 ARG CB C 33.408 . . 208 59 59 ARG N N 125.764 . . 209 60 60 THR H H 8.734 . . 210 60 60 THR CA C 61.989 . . 211 60 60 THR CB C 68.157 . . 212 60 60 THR N N 120.055 . . 213 61 61 VAL H H 9.117 . . 214 61 61 VAL CA C 62.403 . . 215 61 61 VAL CB C 33.152 . . 216 61 61 VAL N N 130.708 . . 217 62 62 GLN H H 8.867 . . 218 62 62 GLN C C 174.724 . . 219 62 62 GLN CA C 54.343 . . 220 62 62 GLN CB C 31.145 . . 221 62 62 GLN N N 127.244 . . 222 63 63 TYR H H 9.062 . . 223 63 63 TYR C C 173.176 . . 224 63 63 TYR CA C 56.310 . . 225 63 63 TYR CB C 41.784 . . 226 63 63 TYR N N 120.872 . . 227 64 64 SER H H 8.612 . . 228 64 64 SER C C 172.545 . . 229 64 64 SER CA C 56.910 . . 230 64 64 SER CB C 66.173 . . 231 64 64 SER N N 115.013 . . 232 65 65 GLY H H 8.606 . . 233 65 65 GLY C C 171.598 . . 234 65 65 GLY N N 106.397 . . 235 66 66 SER C C 172.340 . . 236 66 66 SER CA C 56.975 . . 237 66 66 SER CB C 66.136 . . 238 67 67 PHE H H 8.863 . . 239 67 67 PHE CA C 57.774 . . 240 67 67 PHE CB C 42.765 . . 241 67 67 PHE N N 125.233 . . 242 68 68 ASN H H 8.539 . . 243 68 68 ASN C C 172.101 . . 244 68 68 ASN CA C 51.168 . . 245 68 68 ASN CB C 39.829 . . 246 68 68 ASN N N 123.590 . . 247 75 75 LEU C C 175.136 . . 248 75 75 LEU CA C 53.629 . . 249 75 75 LEU CB C 43.217 . . 250 76 76 ALA H H 9.058 . . 251 76 76 ALA C C 175.273 . . 252 76 76 ALA CA C 50.228 . . 253 76 76 ALA CB C 24.414 . . 254 76 76 ALA N N 127.822 . . 255 77 77 LEU H H 9.043 . . 256 77 77 LEU C C 175.847 . . 257 77 77 LEU CA C 54.542 . . 258 77 77 LEU CB C 42.391 . . 259 77 77 LEU N N 126.870 . . 260 78 78 TYR H H 9.483 . . 261 78 78 TYR C C 173.052 . . 262 78 78 TYR CA C 55.939 . . 263 78 78 TYR CB C 44.654 . . 264 78 78 TYR N N 131.056 . . 265 79 79 GLY H H 6.574 . . 266 79 79 GLY C C 168.813 . . 267 79 79 GLY CA C 45.752 . . 268 79 79 GLY N N 112.661 . . 269 80 80 TRP C C 178.020 . . 270 80 80 TRP CA C 54.770 . . 271 80 80 TRP CB C 34.167 . . 272 81 81 THR H H 9.120 . . 273 81 81 THR C C 172.150 . . 274 81 81 THR CA C 60.133 . . 275 81 81 THR CB C 72.040 . . 276 81 81 THR N N 111.885 . . 277 82 82 SER H H 8.385 . . 278 82 82 SER C C 174.770 . . 279 82 82 SER CA C 56.017 . . 280 82 82 SER CB C 65.956 . . 281 82 82 SER N N 109.375 . . 282 83 83 ASN H H 8.812 . . 283 83 83 ASN C C 172.709 . . 284 83 83 ASN CA C 54.196 . . 285 83 83 ASN CB C 37.978 . . 286 83 83 ASN N N 117.776 . . 287 84 84 PRO C C 175.187 . . 288 84 84 PRO CA C 62.541 . . 289 84 84 PRO CB C 34.861 . . 290 84 84 PRO N N 112.146 . . 291 85 85 LEU H H 8.049 . . 292 85 85 LEU C C 174.588 . . 293 85 85 LEU CA C 54.421 . . 294 85 85 LEU CB C 41.632 . . 295 85 85 LEU N N 122.378 . . 296 86 86 VAL H H 7.375 . . 297 86 86 VAL C C 173.217 . . 298 86 86 VAL CA C 60.773 . . 299 86 86 VAL CB C 36.326 . . 300 86 86 VAL N N 129.404 . . 301 87 87 GLU H H 7.545 . . 302 87 87 GLU CA C 53.292 . . 303 87 87 GLU CB C 31.965 . . 304 87 87 GLU N N 129.230 . . 305 88 88 TYR C C 171.732 . . 306 88 88 TYR CA C 54.512 . . 307 88 88 TYR CB C 42.335 . . 308 89 89 TYR H H 8.284 . . 309 89 89 TYR C C 176.541 . . 310 89 89 TYR CA C 56.740 . . 311 89 89 TYR CB C 44.965 . . 312 89 89 TYR N N 114.716 . . 313 90 90 ILE H H 9.718 . . 314 90 90 ILE C C 175.425 . . 315 90 90 ILE CA C 61.495 . . 316 90 90 ILE CB C 38.942 . . 317 90 90 ILE N N 122.721 . . 318 91 91 VAL H H 9.984 . . 319 91 91 VAL C C 175.189 . . 320 91 91 VAL CA C 62.480 . . 321 91 91 VAL CB C 33.809 . . 322 91 91 VAL N N 125.588 . . 323 92 92 ASP H H 8.189 . . 324 92 92 ASP C C 174.298 . . 325 92 92 ASP CA C 54.644 . . 326 92 92 ASP CB C 43.061 . . 327 92 92 ASP N N 128.101 . . 328 93 93 ASN H H 8.252 . . 329 93 93 ASN C C 172.651 . . 330 93 93 ASN CA C 51.463 . . 331 93 93 ASN CB C 41.371 . . 332 93 93 ASN N N 115.486 . . 333 94 94 TRP H H 9.438 . . 334 94 94 TRP C C 174.398 . . 335 94 94 TRP CA C 56.984 . . 336 94 94 TRP CB C 30.484 . . 337 94 94 TRP N N 122.030 . . 338 95 95 GLY H H 9.155 . . 339 95 95 GLY C C 175.282 . . 340 95 95 GLY CA C 44.536 . . 341 95 95 GLY N N 109.421 . . 342 96 96 THR H H 7.907 . . 343 96 96 THR C C 174.796 . . 344 96 96 THR CA C 63.760 . . 345 96 96 THR CB C 68.567 . . 346 96 96 THR N N 116.653 . . 347 97 97 TYR H H 8.375 . . 348 97 97 TYR C C 173.308 . . 349 97 97 TYR CA C 56.446 . . 350 97 97 TYR CB C 40.554 . . 351 97 97 TYR N N 121.765 . . 352 98 98 ARG H H 8.161 . . 353 98 98 ARG C C 172.031 . . 354 98 98 ARG CA C 52.392 . . 355 98 98 ARG CB C 31.082 . . 356 98 98 ARG N N 131.846 . . 357 99 99 PRO C C 173.286 . . 358 99 99 PRO CA C 62.857 . . 359 99 99 PRO CB C 30.772 . . 360 100 100 THR H H 6.099 . . 361 100 100 THR C C 172.195 . . 362 100 100 THR CA C 58.285 . . 363 100 100 THR CB C 70.439 . . 364 100 100 THR N N 108.666 . . 365 101 101 GLY H H 6.140 . . 366 101 101 GLY C C 171.939 . . 367 101 101 GLY CA C 45.909 . . 368 101 101 GLY N N 107.705 . . 369 102 102 GLU H H 8.585 . . 370 102 102 GLU C C 176.411 . . 371 102 102 GLU CA C 56.676 . . 372 102 102 GLU CB C 29.419 . . 373 102 102 GLU N N 125.477 . . 374 103 103 TYR H H 9.063 . . 375 103 103 TYR C C 176.965 . . 376 103 103 TYR CA C 59.342 . . 377 103 103 TYR N N 129.389 . . 378 104 104 LYS H H 8.592 . . 379 104 104 LYS C C 175.265 . . 380 104 104 LYS CA C 53.502 . . 381 104 104 LYS CB C 33.639 . . 382 104 104 LYS N N 126.044 . . 383 105 105 GLY H H 5.593 . . 384 105 105 GLY C C 170.428 . . 385 105 105 GLY CA C 44.176 . . 386 105 105 GLY N N 105.501 . . 387 106 106 THR H H 7.916 . . 388 106 106 THR C C 174.009 . . 389 106 106 THR CA C 59.716 . . 390 106 106 THR CB C 73.849 . . 391 106 106 THR N N 107.688 . . 392 107 107 VAL H H 9.186 . . 393 107 107 VAL C C 172.861 . . 394 107 107 VAL CB C 34.536 . . 395 107 107 VAL N N 118.485 . . 396 108 108 THR H H 8.730 . . 397 108 108 THR C C 173.962 . . 398 108 108 THR CA C 61.094 . . 399 108 108 THR CB C 69.612 . . 400 108 108 THR N N 125.804 . . 401 109 109 SER H H 9.080 . . 402 109 109 SER CA C 58.600 . . 403 109 109 SER CB C 64.387 . . 404 109 109 SER N N 119.829 . . 405 111 111 GLY C C 173.855 . . 406 111 111 GLY CA C 45.541 . . 407 112 112 GLY H H 7.985 . . 408 112 112 GLY C C 171.194 . . 409 112 112 GLY CA C 43.869 . . 410 112 112 GLY N N 108.317 . . 411 113 113 THR H H 8.345 . . 412 113 113 THR C C 172.379 . . 413 113 113 THR CA C 62.567 . . 414 113 113 THR CB C 70.419 . . 415 113 113 THR N N 116.148 . . 416 114 114 TYR H H 9.796 . . 417 114 114 TYR C C 175.405 . . 418 114 114 TYR CA C 55.955 . . 419 114 114 TYR CB C 39.671 . . 420 114 114 TYR N N 125.865 . . 421 115 115 ASP H H 8.998 . . 422 115 115 ASP C C 174.468 . . 423 115 115 ASP CA C 54.623 . . 424 115 115 ASP CB C 45.476 . . 425 115 115 ASP N N 122.072 . . 426 116 116 ILE H H 8.522 . . 427 116 116 ILE C C 175.134 . . 428 116 116 ILE CA C 59.504 . . 429 116 116 ILE N N 121.726 . . 430 117 117 TYR H H 9.214 . . 431 117 117 TYR C C 173.812 . . 432 117 117 TYR CA C 54.551 . . 433 117 117 TYR CB C 43.318 . . 434 117 117 TYR N N 122.394 . . 435 118 118 LYS H H 8.493 . . 436 118 118 LYS C C 176.423 . . 437 118 118 LYS CA C 55.014 . . 438 118 118 LYS CB C 37.425 . . 439 118 118 LYS N N 120.442 . . 440 119 119 THR H H 9.356 . . 441 119 119 THR C C 173.319 . . 442 119 119 THR CA C 61.098 . . 443 119 119 THR CB C 72.323 . . 444 119 119 THR N N 118.942 . . 445 120 120 THR H H 8.576 . . 446 120 120 THR C C 173.588 . . 447 120 120 THR CA C 62.670 . . 448 120 120 THR CB C 72.392 . . 449 120 120 THR N N 115.597 . . 450 121 121 ARG H H 8.966 . . 451 121 121 ARG C C 173.156 . . 452 121 121 ARG CA C 52.983 . . 453 121 121 ARG CB C 29.828 . . 454 121 121 ARG N N 127.866 . . 455 122 122 VAL H H 8.359 . . 456 122 122 VAL C C 175.428 . . 457 122 122 VAL CA C 61.193 . . 458 122 122 VAL CB C 32.326 . . 459 122 122 VAL N N 122.431 . . 460 123 123 ASN H H 8.174 . . 461 123 123 ASN C C 173.647 . . 462 123 123 ASN CA C 54.194 . . 463 123 123 ASN CB C 37.514 . . 464 123 123 ASN N N 127.033 . . 465 124 124 LYS H H 8.729 . . 466 124 124 LYS C C 173.460 . . 467 124 124 LYS CA C 51.460 . . 468 124 124 LYS CB C 33.815 . . 469 124 124 LYS N N 119.177 . . 470 127 127 VAL C C 175.066 . . 471 127 127 VAL CA C 62.474 . . 472 127 127 VAL CB C 30.203 . . 473 128 128 GLU H H 7.603 . . 474 128 128 GLU C C 174.673 . . 475 128 128 GLU CA C 54.782 . . 476 128 128 GLU N N 118.984 . . 477 129 129 GLY H H 7.001 . . 478 129 129 GLY C C 175.341 . . 479 129 129 GLY CA C 43.728 . . 480 129 129 GLY N N 107.284 . . 481 130 130 THR H H 8.932 . . 482 130 130 THR C C 175.503 . . 483 130 130 THR CA C 64.135 . . 484 130 130 THR N N 122.099 . . 485 131 131 ARG H H 9.118 . . 486 131 131 ARG C C 174.405 . . 487 131 131 ARG CA C 53.662 . . 488 131 131 ARG CB C 36.885 . . 489 131 131 ARG N N 130.482 . . 490 134 134 ASP C C 174.234 . . 491 134 134 ASP CA C 53.426 . . 492 134 134 ASP CB C 43.427 . . 493 135 135 GLN H H 8.841 . . 494 135 135 GLN C C 175.322 . . 495 135 135 GLN CA C 52.949 . . 496 135 135 GLN CB C 31.162 . . 497 135 135 GLN N N 115.465 . . 498 136 136 TYR H H 7.903 . . 499 136 136 TYR C C 173.616 . . 500 136 136 TYR CA C 51.610 . . 501 136 136 TYR CB C 37.617 . . 502 136 136 TYR N N 122.252 . . 503 137 137 TRP H H 8.511 . . 504 137 137 TRP C C 177.142 . . 505 137 137 TRP CA C 55.383 . . 506 137 137 TRP CB C 31.911 . . 507 137 137 TRP N N 118.027 . . 508 138 138 SER H H 9.337 . . 509 138 138 SER C C 175.090 . . 510 138 138 SER CA C 57.995 . . 511 138 138 SER CB C 66.320 . . 512 138 138 SER N N 120.678 . . 513 139 139 VAL H H 10.436 . . 514 139 139 VAL C C 175.142 . . 515 139 139 VAL CA C 61.254 . . 516 139 139 VAL CB C 34.781 . . 517 139 139 VAL N N 124.974 . . 518 140 140 ARG H H 9.204 . . 519 140 140 ARG C C 177.343 . . 520 140 140 ARG CA C 59.092 . . 521 140 140 ARG CB C 29.930 . . 522 140 140 ARG N N 135.131 . . 523 141 141 GLN H H 8.807 . . 524 141 141 GLN C C 176.629 . . 525 141 141 GLN CB C 27.865 . . 526 141 141 GLN N N 120.828 . . 527 142 142 SER H H 7.597 . . 528 142 142 SER C C 173.508 . . 529 142 142 SER CA C 56.745 . . 530 142 142 SER CB C 65.085 . . 531 142 142 SER N N 111.227 . . 532 143 143 LYS H H 8.445 . . 533 143 143 LYS C C 177.493 . . 534 143 143 LYS CA C 57.665 . . 535 143 143 LYS CB C 33.954 . . 536 143 143 LYS N N 124.596 . . 537 144 144 ARG H H 8.945 . . 538 144 144 ARG C C 173.399 . . 539 144 144 ARG CA C 55.919 . . 540 144 144 ARG CB C 34.065 . . 541 144 144 ARG N N 119.903 . . 542 145 145 THR H H 8.597 . . 543 145 145 THR C C 173.888 . . 544 145 145 THR CA C 61.562 . . 545 145 145 THR CB C 68.416 . . 546 145 145 THR N N 116.383 . . 547 146 146 GLY H H 7.309 . . 548 146 146 GLY C C 171.535 . . 549 146 146 GLY CA C 44.025 . . 550 146 146 GLY N N 114.535 . . 551 147 147 GLY H H 7.643 . . 552 147 147 GLY C C 171.330 . . 553 147 147 GLY CA C 44.120 . . 554 147 147 GLY N N 108.008 . . 555 148 148 THR H H 8.226 . . 556 148 148 THR C C 175.124 . . 557 148 148 THR CA C 60.383 . . 558 148 148 THR CB C 71.060 . . 559 148 148 THR N N 114.602 . . 560 149 149 ILE H H 9.599 . . 561 149 149 ILE C C 174.897 . . 562 149 149 ILE CA C 60.596 . . 563 149 149 ILE CB C 41.868 . . 564 149 149 ILE N N 124.867 . . 565 150 150 THR H H 9.862 . . 566 150 150 THR C C 176.988 . . 567 150 150 THR CA C 62.017 . . 568 150 150 THR CB C 66.562 . . 569 150 150 THR N N 129.331 . . 570 151 151 THR H H 8.540 . . 571 151 151 THR C C 175.954 . . 572 151 151 THR CA C 66.529 . . 573 151 151 THR CB C 66.914 . . 574 151 151 THR N N 118.686 . . 575 152 152 GLY H H 8.790 . . 576 152 152 GLY C C 174.563 . . 577 152 152 GLY CA C 46.302 . . 578 152 152 GLY N N 106.875 . . 579 153 153 ASN H H 6.717 . . 580 153 153 ASN C C 178.703 . . 581 153 153 ASN CB C 35.975 . . 582 153 153 ASN N N 116.107 . . 583 154 154 HIS H H 6.429 . . 584 154 154 HIS C C 174.916 . . 585 154 154 HIS CA C 59.321 . . 586 154 154 HIS CB C 30.283 . . 587 154 154 HIS N N 121.264 . . 588 155 155 PHE H H 7.642 . . 589 155 155 PHE C C 179.812 . . 590 155 155 PHE CA C 57.014 . . 591 155 155 PHE CB C 36.409 . . 592 155 155 PHE N N 116.666 . . 593 156 156 ASP H H 8.337 . . 594 156 156 ASP C C 178.016 . . 595 156 156 ASP CA C 56.971 . . 596 156 156 ASP CB C 39.666 . . 597 156 156 ASP N N 118.888 . . 598 157 157 ALA H H 7.096 . . 599 157 157 ALA C C 180.847 . . 600 157 157 ALA CA C 55.021 . . 601 157 157 ALA CB C 18.500 . . 602 157 157 ALA N N 124.318 . . 603 158 158 TRP H H 8.910 . . 604 158 158 TRP C C 178.592 . . 605 158 158 TRP CA C 57.830 . . 606 158 158 TRP CB C 27.171 . . 607 158 158 TRP N N 120.824 . . 608 159 159 ALA H H 8.163 . . 609 159 159 ALA C C 182.559 . . 610 159 159 ALA CA C 55.784 . . 611 159 159 ALA CB C 17.647 . . 612 159 159 ALA N N 122.372 . . 613 160 160 ARG H H 7.989 . . 614 160 160 ARG C C 177.004 . . 615 160 160 ARG CA C 59.006 . . 616 160 160 ARG CB C 30.372 . . 617 160 160 ARG N N 119.327 . . 618 161 161 ALA H H 7.576 . . 619 161 161 ALA C C 176.673 . . 620 161 161 ALA CA C 51.504 . . 621 161 161 ALA CB C 18.610 . . 622 161 161 ALA N N 121.504 . . 623 162 162 GLY H H 7.703 . . 624 162 162 GLY C C 174.156 . . 625 162 162 GLY CA C 46.011 . . 626 162 162 GLY N N 106.137 . . 627 163 163 MET H H 7.956 . . 628 163 163 MET C C 171.269 . . 629 163 163 MET CA C 52.860 . . 630 163 163 MET CB C 33.170 . . 631 163 163 MET N N 121.400 . . 632 164 164 PRO C C 177.669 . . 633 164 164 PRO CA C 62.292 . . 634 164 164 PRO CB C 32.721 . . 635 165 165 LEU H H 8.385 . . 636 165 165 LEU C C 177.309 . . 637 165 165 LEU CA C 53.095 . . 638 165 165 LEU CB C 44.607 . . 639 165 165 LEU N N 123.171 . . 640 166 166 GLY H H 6.694 . . 641 166 166 GLY C C 172.518 . . 642 166 166 GLY CA C 43.527 . . 643 166 166 GLY N N 105.593 . . 644 167 167 ASN H H 8.749 . . 645 167 167 ASN C C 177.687 . . 646 167 167 ASN CA C 52.670 . . 647 167 167 ASN CB C 39.531 . . 648 167 167 ASN N N 116.777 . . 649 168 168 PHE H H 8.921 . . 650 168 168 PHE C C 176.413 . . 651 168 168 PHE CA C 57.883 . . 652 168 168 PHE CB C 37.225 . . 653 168 168 PHE N N 126.301 . . 654 169 169 SER H H 8.109 . . 655 169 169 SER C C 171.911 . . 656 169 169 SER CA C 58.604 . . 657 169 169 SER CB C 63.205 . . 658 169 169 SER N N 116.692 . . 659 170 170 TYR H H 6.674 . . 660 170 170 TYR C C 173.517 . . 661 170 170 TYR CA C 55.158 . . 662 170 170 TYR CB C 41.952 . . 663 170 170 TYR N N 116.061 . . 664 171 171 TYR H H 6.626 . . 665 171 171 TYR C C 173.898 . . 666 171 171 TYR CA C 56.494 . . 667 171 171 TYR N N 114.816 . . 668 172 172 MET H H 8.400 . . 669 172 172 MET C C 170.991 . . 670 172 172 MET CA C 59.229 . . 671 172 172 MET CB C 38.020 . . 672 172 172 MET N N 119.967 . . 673 173 173 ILE H H 7.195 . . 674 173 173 ILE C C 177.705 . . 675 173 173 ILE CA C 52.896 . . 676 173 173 ILE N N 122.997 . . 677 174 174 MET H H 8.914 . . 678 174 174 MET C C 174.989 . . 679 174 174 MET CA C 54.009 . . 680 174 174 MET CB C 31.159 . . 681 174 174 MET N N 123.037 . . 682 175 175 ALA H H 9.772 . . 683 175 175 ALA C C 176.508 . . 684 175 175 ALA CA C 52.189 . . 685 175 175 ALA CB C 22.119 . . 686 175 175 ALA N N 134.525 . . 687 176 176 THR H H 8.900 . . 688 176 176 THR C C 172.087 . . 689 176 176 THR CA C 62.453 . . 690 176 176 THR CB C 70.793 . . 691 176 176 THR N N 114.848 . . 692 177 177 GLU C C 173.485 . . 693 177 177 GLU CA C 52.615 . . 694 177 177 GLU CB C 30.849 . . 695 178 178 GLY H H 6.261 . . 696 178 178 GLY C C 171.248 . . 697 178 178 GLY CA C 43.577 . . 698 178 178 GLY N N 109.078 . . 699 179 179 TYR H H 7.464 . . 700 179 179 TYR C C 173.787 . . 701 179 179 TYR CA C 55.932 . . 702 179 179 TYR CB C 40.605 . . 703 179 179 TYR N N 121.422 . . 704 183 183 GLY C C 170.180 . . 705 183 183 GLY CA C 44.644 . . 706 184 184 SER H H 6.673 . . 707 184 184 SER C C 172.974 . . 708 184 184 SER CA C 57.564 . . 709 184 184 SER CB C 66.356 . . 710 184 184 SER N N 111.382 . . 711 185 185 SER H H 8.931 . . 712 185 185 SER C C 173.168 . . 713 185 185 SER CA C 57.359 . . 714 185 185 SER CB C 67.208 . . 715 185 185 SER N N 114.129 . . 716 186 186 SER H H 8.912 . . 717 186 186 SER C C 172.547 . . 718 186 186 SER CB C 63.359 . . 719 186 186 SER N N 116.345 . . 720 187 187 ILE C C 172.784 . . 721 187 187 ILE CA C 56.980 . . 722 187 187 ILE CB C 39.675 . . 723 188 188 ASN H H 9.056 . . 724 188 188 ASN C C 175.170 . . 725 188 188 ASN CA C 51.815 . . 726 188 188 ASN CB C 39.918 . . 727 188 188 ASN N N 123.750 . . 728 189 189 VAL H H 8.139 . . 729 189 189 VAL C C 174.429 . . 730 189 189 VAL CA C 62.805 . . 731 189 189 VAL CB C 32.625 . . 732 189 189 VAL N N 126.661 . . 733 190 190 GLY H H 9.023 . . 734 190 190 GLY C C 173.449 . . 735 190 190 GLY CA C 45.206 . . 736 190 190 GLY N N 113.272 . . 737 191 191 GLY H H 7.902 . . 738 191 191 GLY C C 178.705 . . 739 191 191 GLY N N 114.015 . . stop_ save_