data_25701 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Backbone assignments and ILV methyl assignments for EcoRV bound to 16-mer double stranded DNA (GCAAAGATATCTTTCG) without Lu3+ ; _BMRB_accession_number 25701 _BMRB_flat_file_name bmr25701.str _Entry_type original _Submission_date 2015-07-13 _Accession_date 2015-07-15 _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 Sinha Kaustubh . . 2 Sangani Sahil S . 3 Rule Gordon S . 4 Jen-Jacobson Linda . . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 179 "13C chemical shifts" 371 "15N chemical shifts" 121 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2018-04-18 original BMRB . stop_ loop_ _Related_BMRB_accession_number _Relationship 25752 'Complex with Lu3+' stop_ _Original_release_date 2015-07-15 save_ ############################# # Citation for this entry # ############################# save_RV_AAA_Lu _Saveframe_category entry_citation _Citation_full . _Citation_title ; Metal Ion Binding at the Catalytic Site Induces Widely Distributed Changes in a Sequence Specific Protein-DNA Complex.' ; _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 27786446 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Sinha Kaustubh . . 2 Sangani Sahil S. . 3 Kehr Andrew D. . 4 Rule Gordon S. . 5 Jen-Jacobson Linda . . stop_ _Journal_abbreviation Biochemistry _Journal_name_full Biochemistry _Journal_volume 55 _Journal_issue 44 _Journal_ISSN 1520-4995 _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 6115 _Page_last 6132 _Year 2016 _Details . save_ ################################## # Molecular system description # ################################## save_assembly_1 _Saveframe_category molecular_system _Mol_system_name 'EcoRV dimer with cognate DNA' _Enzyme_commission_number 3.1.21.4 loop_ _Mol_system_component_name _Mol_label 'RV dimer, 1' $EcoRV 'RV dimer, 2' $EcoRV 'AAA DNA fragment, 1' $5'-GCAAAGATATCTTTCG-3' 'AAA DNA fragment, 2' $5'-GCAAAGATATCTTTCG-3' stop_ _System_molecular_weight 65000 _System_physical_state native _System_oligomer_state ? _System_paramagnetic no _System_thiol_state . _Database_query_date . _Details . save_ ######################## # Monomeric polymers # ######################## save_EcoRV _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common EcoRV _Molecular_mass 28650 _Mol_thiol_state 'all free' loop_ _Biological_function 'Restriction endonuclease, type II' stop_ _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 244 _Mol_residue_sequence ; SLRSDLINALYDENQKYDVC GIISAEGKIYPLGSDTKVLS TIFELFSRPIINKIAEKHGY IVEEPKQQNHYPDFTLYKPS EPNKKIAIDIKTTYTNKENE KIKFTLGGYTSFIRNNTKNI VYPFDQYIAHWIIGYVYTRV ATRKSSLKTYNINELNEIPK PYKGVKVFLQDKWVIAGDLA GSGNTTNIGSIHAHYKDFVE GKGIFDSEDEFLDYWRNYER TSQLRNDKYNNISEYRNWIY RGRK ; loop_ _Residue_seq_code _Residue_author_seq_code _Residue_label 1 2 SER 2 3 LEU 3 4 ARG 4 5 SER 5 6 ASP 6 7 LEU 7 8 ILE 8 9 ASN 9 10 ALA 10 11 LEU 11 12 TYR 12 13 ASP 13 14 GLU 14 15 ASN 15 16 GLN 16 17 LYS 17 18 TYR 18 19 ASP 19 20 VAL 20 21 CYS 21 22 GLY 22 23 ILE 23 24 ILE 24 25 SER 25 26 ALA 26 27 GLU 27 28 GLY 28 29 LYS 29 30 ILE 30 31 TYR 31 32 PRO 32 33 LEU 33 34 GLY 34 35 SER 35 36 ASP 36 37 THR 37 38 LYS 38 39 VAL 39 40 LEU 40 41 SER 41 42 THR 42 43 ILE 43 44 PHE 44 45 GLU 45 46 LEU 46 47 PHE 47 48 SER 48 49 ARG 49 50 PRO 50 51 ILE 51 52 ILE 52 53 ASN 53 54 LYS 54 55 ILE 55 56 ALA 56 57 GLU 57 58 LYS 58 59 HIS 59 60 GLY 60 61 TYR 61 62 ILE 62 63 VAL 63 64 GLU 64 65 GLU 65 66 PRO 66 67 LYS 67 68 GLN 68 69 GLN 69 70 ASN 70 71 HIS 71 72 TYR 72 73 PRO 73 74 ASP 74 75 PHE 75 76 THR 76 77 LEU 77 78 TYR 78 79 LYS 79 80 PRO 80 81 SER 81 82 GLU 82 83 PRO 83 84 ASN 84 85 LYS 85 86 LYS 86 87 ILE 87 88 ALA 88 89 ILE 89 90 ASP 90 91 ILE 91 92 LYS 92 93 THR 93 94 THR 94 95 TYR 95 96 THR 96 97 ASN 97 98 LYS 98 99 GLU 99 100 ASN 100 101 GLU 101 102 LYS 102 103 ILE 103 104 LYS 104 105 PHE 105 106 THR 106 107 LEU 107 108 GLY 108 109 GLY 109 110 TYR 110 111 THR 111 112 SER 112 113 PHE 113 114 ILE 114 115 ARG 115 116 ASN 116 117 ASN 117 118 THR 118 119 LYS 119 120 ASN 120 121 ILE 121 122 VAL 122 123 TYR 123 124 PRO 124 125 PHE 125 126 ASP 126 127 GLN 127 128 TYR 128 129 ILE 129 130 ALA 130 131 HIS 131 132 TRP 132 133 ILE 133 134 ILE 134 135 GLY 135 136 TYR 136 137 VAL 137 138 TYR 138 139 THR 139 140 ARG 140 141 VAL 141 142 ALA 142 143 THR 143 144 ARG 144 145 LYS 145 146 SER 146 147 SER 147 148 LEU 148 149 LYS 149 150 THR 150 151 TYR 151 152 ASN 152 153 ILE 153 154 ASN 154 155 GLU 155 156 LEU 156 157 ASN 157 158 GLU 158 159 ILE 159 160 PRO 160 161 LYS 161 162 PRO 162 163 TYR 163 164 LYS 164 165 GLY 165 166 VAL 166 167 LYS 167 168 VAL 168 169 PHE 169 170 LEU 170 171 GLN 171 172 ASP 172 173 LYS 173 174 TRP 174 175 VAL 175 176 ILE 176 177 ALA 177 178 GLY 178 179 ASP 179 180 LEU 180 181 ALA 181 182 GLY 182 183 SER 183 184 GLY 184 185 ASN 185 186 THR 186 187 THR 187 188 ASN 188 189 ILE 189 190 GLY 190 191 SER 191 192 ILE 192 193 HIS 193 194 ALA 194 195 HIS 195 196 TYR 196 197 LYS 197 198 ASP 198 199 PHE 199 200 VAL 200 201 GLU 201 202 GLY 202 203 LYS 203 204 GLY 204 205 ILE 205 206 PHE 206 207 ASP 207 208 SER 208 209 GLU 209 210 ASP 210 211 GLU 211 212 PHE 212 213 LEU 213 214 ASP 214 215 TYR 215 216 TRP 216 217 ARG 217 218 ASN 218 219 TYR 219 220 GLU 220 221 ARG 221 222 THR 222 223 SER 223 224 GLN 224 225 LEU 225 226 ARG 226 227 ASN 227 228 ASP 228 229 LYS 229 230 TYR 230 231 ASN 231 232 ASN 232 233 ILE 233 234 SER 234 235 GLU 235 236 TYR 236 237 ARG 237 238 ASN 238 239 TRP 239 240 ILE 240 241 TYR 241 242 ARG 242 243 GLY 243 244 ARG 244 245 LYS stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date . save_ save_5'-GCAAAGATATCTTTCG-3' _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class DNA _Name_common 5'-GCAAAGATATCTTTCG-3' _Molecular_mass 9760 _Mol_thiol_state 'not present' _Details . _Residue_count 16 _Mol_residue_sequence ; GCAAAGATATCTTTCG ; loop_ _Residue_seq_code _Residue_label 1 DG 2 DC 3 DA 4 DA 5 DA 6 DG 7 DA 8 DT 9 DA 10 DT 11 DC 12 DT 13 DT 14 DT 15 DC 16 DG 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 $EcoRV 'E. coli' 562 Bacteria . Escherichia coli 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 _Details $EcoRV 'recombinant technology' . . . . 'pET 22b+' 'Expression optimized gene sequence.' $5'-GCAAAGATATCTTTCG-3' 'obtained from a vendor' . . . . . . 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 $EcoRV 0.5 mM '[ILV-13CH3 ; U-99% 15N; U-99% 2H]' $5'-GCAAAGATATCTTTCG-3' 0.5 mM n/a H2O 90 % 'natural abundance' D2O 10 % [U-2H] stop_ save_ save_sample_2 _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $EcoRV 1 mM '[U-99% 13C; U-99% 15N; U-99% 2H]' $5'-GCAAAGATATCTTTCG-3' 0.5 mM n/a H2O 90 % 'natural abundance' D2O 10 % [U-2H] stop_ save_ save_sample_3 _Saveframe_category sample _Sample_type solution _Details ; Used 2-keto-3,3-d2-1,2,3,4-13C-butyrate and 2-keto-3-methyl-d3-3-d1-1,2,3,4-13C-butyrate as precursors to achieve {I( 1 only), L(13CH3, 12CD3),V(13CH3,12CD3)} U-[15N,13C,2H] labeling. ; loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $EcoRV 0.5 mM '[ILV-13CH3 ; U-99% 15N; U-99% 2H]' $5'-GCAAAGATATCTTTCG-3' 0.5 mM n/a H2O 90 % 'natural abundance' D2O 10 % [U-2H] stop_ save_ ############################ # Computer software used # ############################ save_xwinnmr _Saveframe_category software _Name xwinnmr _Version . loop_ _Vendor _Address _Electronic_address 'Bruker Biospin' . . stop_ loop_ _Task collection stop_ _Details . save_ save_TOPSPIN _Saveframe_category software _Name TOPSPIN _Version . loop_ _Vendor _Address _Electronic_address 'Bruker Biospin' . . stop_ loop_ _Task collection stop_ _Details . save_ 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_Monte _Saveframe_category software _Name Monte _Version 2.03 loop_ _Vendor _Address _Electronic_address Rule . rule@andrew.cmu.edu stop_ loop_ _Task 'chemical shift assignment' stop_ _Details 'Monte Carlo based NMR assignment program' save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model Avance _Field_strength 600 _Details . save_ save_spectrometer_2 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model Avance _Field_strength 900 _Details . save_ save_spectrometer_3 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model Avance _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_2 save_ save_3D_HNCO_2 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCO' _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_ save_3D_HNCA_4 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCA' _Sample_label $sample_2 save_ save_3D_HN(CO)CA_5 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HN(CO)CA' _Sample_label $sample_2 save_ save_3D_HNCB_6 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCB' _Sample_label $sample_2 save_ save_2D_1H-13C_HSQC_aliphatic_7 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-13C HSQC aliphatic' _Sample_label $sample_1 save_ save_4D_ILV_methyl_NOE_8 _Saveframe_category NMR_applied_experiment _Experiment_name '4D ILV methyl NOE' _Sample_label $sample_1 save_ save_ILV-HMCMCG_9 _Saveframe_category NMR_applied_experiment _Experiment_name ILV-HMCMCG _Sample_label $sample_3 save_ save_ILV-HMCM[CG]CB_10 _Saveframe_category NMR_applied_experiment _Experiment_name ILV-HMCM[CG]CB _Sample_label $sample_3 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' 200 . mM pH 7.4 . pH pressure 1 . atm temperature 308 . 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 TMS C 13 'methyl protons' ppm 0 external indirect . . . 0.251449530 TMS H 1 'methyl protons' ppm 0 external indirect . . . 1.000000000 TMS N 15 'methyl protons' ppm 0 external 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_nometal _Saveframe_category assigned_chemical_shifts _Details . loop_ _Software_label $xwinnmr $TOPSPIN $NMRPipe stop_ loop_ _Experiment_label '2D 1H-15N HSQC' '3D HNCO' '3D HN(CA)CO' '3D HNCA' '3D HN(CO)CA' '3D HNCB' '2D 1H-13C HSQC aliphatic' '4D ILV methyl NOE' ILV-HMCMCG ILV-HMCM[CG]CB stop_ loop_ _Sample_label $sample_2 $sample_1 $sample_3 stop_ _Sample_conditions_label $sample_conditions_1 _Chem_shift_reference_set_label $chemical_shift_reference_1 _Mol_system_component_name 'RV dimer, 1' _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 3 2 LEU HD1 H 0.431 0.03 1 2 3 2 LEU HD2 H 0.327 0.03 1 3 3 2 LEU CD1 C 21.128 0.2 1 4 3 2 LEU CD2 C 22.591 0.2 1 5 4 3 ARG H H 8.11 0.03 1 6 4 3 ARG C C 174.89 0.2 1 7 4 3 ARG CA C 56.65 0.2 1 8 4 3 ARG CB C 26.97 0.2 1 9 4 3 ARG N N 117.3 0.2 1 10 6 5 ASP H H 8.31 0.03 1 11 6 5 ASP C C 176.73 0.2 1 12 6 5 ASP CA C 53.88 0.2 1 13 6 5 ASP CB C 37.04 0.2 1 14 6 5 ASP N N 123.76 0.2 1 15 7 6 LEU H H 8.25 0.03 1 16 7 6 LEU HD1 H 0.789 0.03 1 17 7 6 LEU HD2 H 0.793 0.03 1 18 7 6 LEU C C 174.88 0.2 1 19 7 6 LEU CA C 55.195 0.2 1 20 7 6 LEU CB C 37.83 0.2 1 21 7 6 LEU CD1 C 21.844 0.2 1 22 7 6 LEU CD2 C 23.331 0.2 1 23 7 6 LEU N N 123.84 0.2 1 24 8 7 ILE H H 7.87 0.03 1 25 8 7 ILE HD1 H 0.686 0.03 1 26 8 7 ILE C C 174.41 0.2 1 27 8 7 ILE CA C 46.955 0.2 1 28 8 7 ILE CB C 34.3 0.2 1 29 8 7 ILE CD1 C 11.084 0.2 1 30 8 7 ILE N N 119.39 0.2 1 31 9 8 ASN H H 7.83 0.03 1 32 9 8 ASN C C 175.32 0.2 1 33 9 8 ASN CA C 53.135 0.2 1 34 9 8 ASN CB C 35 0.2 1 35 9 8 ASN N N 115.99 0.2 1 36 10 9 ALA H H 7.72 0.03 1 37 10 9 ALA C C 177.48 0.2 1 38 10 9 ALA CA C 51.525 0.2 1 39 10 9 ALA CB C 15.69 0.2 1 40 10 9 ALA N N 121.76 0.2 1 41 11 10 LEU H H 8.15 0.03 1 42 11 10 LEU CA C 54.10 0.2 1 43 11 10 LEU CB C 38.01 0.2 1 44 11 10 LEU N N 119.2 0.2 1 45 24 23 ILE HD1 H 0.733 0.03 1 46 24 23 ILE CD1 C 12.443 0.2 1 47 30 29 ILE HD1 H 0.627 0.03 1 48 30 29 ILE CD1 C 12.013 0.2 1 49 43 42 ILE HD1 H 0.509 0.03 1 50 43 42 ILE CD1 C 10.811 0.2 1 51 52 51 ILE HD1 H 0.032 0.03 1 52 52 51 ILE CD1 C 11.222 0.2 1 53 55 54 ILE HD1 H 0.738 0.03 1 54 55 54 ILE CD1 C 6.435 0.2 1 55 56 55 ALA H H 8.66 0.03 1 56 56 55 ALA C C 177.89 0.2 1 57 56 55 ALA CA C 53.185 0.2 1 58 56 55 ALA CB C 15.3 0.2 1 59 56 55 ALA N N 122.62 0.2 1 60 57 56 GLU H H 8.06 0.03 1 61 57 56 GLU CA C 56.525 0.2 1 62 57 56 GLU CB C 26.11 0.2 1 63 57 56 GLU N N 117.8 0.2 1 64 58 57 LYS H H 7.4 0.03 1 65 58 57 LYS C C 175.01 0.2 1 66 58 57 LYS CA C 56.055 0.2 1 67 58 57 LYS CB C 28.93 0.2 1 68 58 57 LYS N N 120.82 0.2 1 69 59 58 HIS H H 7.41 0.03 1 70 59 58 HIS CA C 54.2 0.2 1 71 59 58 HIS CB C 30.29 0.2 1 72 59 58 HIS N N 115.58 0.2 1 73 60 59 GLY H H 7.87 0.03 1 74 60 59 GLY C C 171.98 0.2 1 75 60 59 GLY CA C 43.305 0.2 1 76 60 59 GLY N N 109.13 0.2 1 77 61 60 TYR H H 8.37 0.03 1 78 61 60 TYR C C 172.91 0.2 1 79 61 60 TYR CA C 55.045 0.2 1 80 61 60 TYR CB C 36.4 0.2 1 81 61 60 TYR N N 119.54 0.2 1 82 62 61 ILE H H 8.72 0.03 1 83 62 61 ILE HD1 H 0.669 0.03 1 84 62 61 ILE C C 171.97 0.2 1 85 62 61 ILE CA C 57.11 0.2 1 86 62 61 ILE CB C 35.28 0.2 1 87 62 61 ILE CD1 C 10.084 0.2 1 88 62 61 ILE N N 122.14 0.2 1 89 63 62 VAL H H 8.02 0.03 1 90 63 62 VAL HG1 H 1.139 0.03 1 91 63 62 VAL HG2 H 0.815 0.03 1 92 63 62 VAL C C 173.91 0.2 1 93 63 62 VAL CA C 57.825 0.2 1 94 63 62 VAL CB C 30.2 0.2 1 95 63 62 VAL CG1 C 19.987 0.2 1 96 63 62 VAL CG2 C 19.631 0.2 1 97 63 62 VAL N N 122.32 0.2 1 98 64 63 GLU H H 9.88 0.03 1 99 64 63 GLU C C 173.28 0.2 1 100 64 63 GLU CA C 51.92 0.2 1 101 64 63 GLU CB C 30.63 0.2 1 102 64 63 GLU N N 128.55 0.2 1 103 65 64 GLU H H 8.93 0.03 1 104 65 64 GLU C C 170.7 0.2 1 105 65 64 GLU CA C 51.145 0.2 1 106 65 64 GLU CB C 26.39 0.2 1 107 65 64 GLU N N 128.22 0.2 1 108 76 75 THR H H 9 0.03 1 109 76 75 THR CA C 59.955 0.2 1 110 76 75 THR CB C 39.18 0.2 1 111 76 75 THR N N 120.63 0.2 1 112 77 76 LEU H H 9.83 0.03 1 113 77 76 LEU HD1 H 0.725 0.03 1 114 77 76 LEU HD2 H 0.506 0.03 1 115 77 76 LEU CA C 53.65 0.2 1 116 77 76 LEU CB C 41.12 0.2 1 117 77 76 LEU CD1 C 21.618 0.2 1 118 77 76 LEU CD2 C 24.018 0.2 1 119 77 76 LEU N N 130.03 0.2 1 120 78 77 TYR H H 8.44 0.03 1 121 78 77 TYR C C 170.05 0.2 1 122 78 77 TYR CA C 53.985 0.2 1 123 78 77 TYR CB C 36.31 0.2 1 124 78 77 TYR N N 115.15 0.2 1 125 79 78 LYS H H 9.26 0.03 1 126 79 78 LYS C C 174.43 0.2 1 127 79 78 LYS CA C 50.27 0.2 1 128 79 78 LYS CB C 29.02 0.2 1 129 79 78 LYS N N 123.37 0.2 1 130 84 83 ASN H H 8.31 0.03 1 131 84 83 ASN CA C 49.97 0.2 1 132 84 83 ASN CB C 34.3 0.2 1 133 84 83 ASN N N 116.08 0.2 1 134 85 84 LYS H H 7 0.03 1 135 85 84 LYS C C 173.22 0.2 1 136 85 84 LYS CA C 51.375 0.2 1 137 85 84 LYS CB C 28.9 0.2 1 138 85 84 LYS N N 119.98 0.2 1 139 86 85 LYS H H 8.39 0.03 1 140 86 85 LYS C C 172.55 0.2 1 141 86 85 LYS CA C 53.625 0.2 1 142 86 85 LYS CB C 31.17 0.2 1 143 86 85 LYS N N 121.44 0.2 1 144 87 86 ILE H H 9.29 0.03 1 145 87 86 ILE HD1 H 0.397 0.03 1 146 87 86 ILE C C 171.83 0.2 1 147 87 86 ILE CA C 57.52 0.2 1 148 87 86 ILE CB C 37.56 0.2 1 149 87 86 ILE CD1 C 11.022 0.2 1 150 87 86 ILE N N 122.8 0.2 1 151 88 87 ALA H H 8.12 0.03 1 152 88 87 ALA C C 173.23 0.2 1 153 88 87 ALA CA C 47.14 0.2 1 154 88 87 ALA CB C 18.11 0.2 1 155 88 87 ALA N N 131.23 0.2 1 156 89 88 ILE H H 9.25 0.03 1 157 89 88 ILE C C 170.8 0.2 1 158 89 88 ILE CA C 57.815 0.2 1 159 89 88 ILE CB C 37.19 0.2 1 160 89 88 ILE N N 121.07 0.2 1 161 90 89 ASP H H 8.94 0.03 1 162 90 89 ASP C C 172.16 0.2 1 163 90 89 ASP CA C 49.6 0.2 1 164 90 89 ASP CB C 43.74 0.2 1 165 90 89 ASP N N 131.26 0.2 1 166 91 90 ILE HD1 H 1.141 0.03 1 167 91 90 ILE CD1 C 8.925 0.2 1 168 102 101 LYS H H 8.21 0.03 1 169 102 101 LYS CA C 54.52 0.2 1 170 102 101 LYS CB C 29.22 0.2 1 171 102 101 LYS N N 121.31 0.2 1 172 103 102 ILE H H 8.73 0.03 1 173 103 102 ILE HD1 H 0.628 0.03 1 174 103 102 ILE C C 170.94 0.2 1 175 103 102 ILE CA C 56.895 0.2 1 176 103 102 ILE CB C 38.29 0.2 1 177 103 102 ILE CD1 C 11.07 0.2 1 178 103 102 ILE N N 117.6 0.2 1 179 107 106 LEU HD1 H 0.762 0.03 1 180 107 106 LEU HD2 H 0.801 0.03 1 181 107 106 LEU CD1 C 23.673 0.2 1 182 107 106 LEU CD2 C 20.525 0.2 1 183 114 113 ILE HD1 H 0.615 0.03 1 184 114 113 ILE CD1 C 10.119 0.2 1 185 122 121 VAL HG1 H 0.825 0.03 1 186 122 121 VAL HG2 H 1.298 0.03 1 187 122 121 VAL CG1 C 18.874 0.2 1 188 122 121 VAL CG2 C 20.381 0.2 1 189 126 125 ASP H H 8.01 0.03 1 190 126 125 ASP CA C 52.01 0.2 1 191 126 125 ASP CB C 31.39 0.2 1 192 126 125 ASP N N 119.02 0.2 1 193 127 126 GLN H H 8.36 0.03 1 194 127 126 GLN CA C 53.585 0.2 1 195 127 126 GLN CB C 24.29 0.2 1 196 127 126 GLN N N 119.41 0.2 1 197 128 127 TYR H H 7.6 0.03 1 198 128 127 TYR C C 175.09 0.2 1 199 128 127 TYR CA C 53.725 0.2 1 200 128 127 TYR CB C 36.34 0.2 1 201 128 127 TYR N N 115.74 0.2 1 202 129 128 ILE H H 9.48 0.03 1 203 129 128 ILE HD1 H 0.875 0.03 1 204 129 128 ILE CA C 56.735 0.2 1 205 129 128 ILE CB C 36.29 0.2 1 206 129 128 ILE CD1 C 11.794 0.2 1 207 129 128 ILE N N 117.58 0.2 1 208 130 129 ALA H H 7.17 0.03 1 209 130 129 ALA C C 171.72 0.2 1 210 130 129 ALA CA C 49.0 0.2 1 211 130 129 ALA CB C 18.7 0.2 1 212 130 129 ALA N N 123.3 0.2 1 213 131 130 HIS H H 9.32 0.03 1 214 131 130 HIS C C 171.28 0.2 1 215 131 130 HIS CA C 52.495 0.2 1 216 131 130 HIS CB C 28.67 0.2 1 217 131 130 HIS N N 121.68 0.2 1 218 132 131 TRP H H 9.8 0.03 1 219 132 131 TRP C C 172.43 0.2 1 220 132 131 TRP CA C 50.075 0.2 1 221 132 131 TRP CB C 28.49 0.2 1 222 132 131 TRP N N 127.2 0.2 1 223 133 132 ILE H H 9.35 0.03 1 224 133 132 ILE HD1 H 0.954 0.03 1 225 133 132 ILE C C 173.65 0.2 1 226 133 132 ILE CA C 53.675 0.2 1 227 133 132 ILE CB C 35.3 0.2 1 228 133 132 ILE CD1 C 8.598 0.2 1 229 133 132 ILE N N 124.14 0.2 1 230 134 133 ILE H H 8.41 0.03 1 231 134 133 ILE HD1 H 0.779 0.03 1 232 134 133 ILE CA C 57.475 0.2 1 233 134 133 ILE CB C 34.09 0.2 1 234 134 133 ILE CD1 C 11.655 0.2 1 235 134 133 ILE N N 127.16 0.2 1 236 135 134 GLY H H 7.27 0.03 1 237 135 134 GLY C C 168.23 0.2 1 238 135 134 GLY CA C 37.77 0.2 1 239 135 134 GLY N N 113.96 0.2 1 240 136 135 TYR H H 8.76 0.03 1 241 136 135 TYR CA C 53.445 0.2 1 242 136 135 TYR CB C 37.77 0.2 1 243 136 135 TYR N N 120.56 0.2 1 244 137 136 VAL H H 8.59 0.03 1 245 137 136 VAL HG1 H 0.801 0.03 1 246 137 136 VAL HG2 H 0.856 0.03 1 247 137 136 VAL C C 171.37 0.2 1 248 137 136 VAL CA C 55.77 0.2 1 249 137 136 VAL CB C 30.73 0.2 1 250 137 136 VAL CG1 C 18.122 0.2 1 251 137 136 VAL CG2 C 19.11 0.2 1 252 137 136 VAL N N 119.28 0.2 1 253 141 140 VAL HG1 H 0.956 0.03 1 254 141 140 VAL HG2 H 0.815 0.03 1 255 141 140 VAL CG1 C 18.508 0.2 1 256 141 140 VAL CG2 C 17.74 0.2 1 257 148 147 LEU HD1 H 0.963 0.03 1 258 148 147 LEU HD2 H 0.88 0.03 1 259 148 147 LEU CD1 C 22.378 0.2 1 260 148 147 LEU CD2 C 20.754 0.2 1 261 153 152 ILE H H 8.67 0.03 1 262 153 152 ILE HD1 H 0.953 0.03 1 263 153 152 ILE C C 173.65 0.2 1 264 153 152 ILE CA C 59.805 0.2 1 265 153 152 ILE CB C 35.13 0.2 1 266 153 152 ILE CD1 C 11.973 0.2 1 267 153 152 ILE N N 118.27 0.2 1 268 154 153 ASN H H 8.47 0.03 1 269 154 153 ASN CA C 51.59 0.2 1 270 154 153 ASN CB C 34.79 0.2 1 271 154 153 ASN N N 118.53 0.2 1 272 156 155 LEU H H 7.11 0.03 1 273 156 155 LEU HD1 H 0.869 0.03 1 274 156 155 LEU HD2 H 0.782 0.03 1 275 156 155 LEU C C 175.53 0.2 1 276 156 155 LEU CA C 55.555 0.2 1 277 156 155 LEU CB C 38.91 0.2 1 278 156 155 LEU CD1 C 22.102 0.2 1 279 156 155 LEU CD2 C 21.447 0.2 1 280 156 155 LEU N N 119.27 0.2 1 281 157 156 ASN H H 8.48 0.03 1 282 157 156 ASN C C 172.95 0.2 1 283 157 156 ASN CA C 52.085 0.2 1 284 157 156 ASN CB C 34.88 0.2 1 285 157 156 ASN N N 112.81 0.2 1 286 158 157 GLU H H 7.98 0.03 1 287 158 157 GLU C C 173.7 0.2 1 288 158 157 GLU CA C 52.795 0.2 1 289 158 157 GLU CB C 27.12 0.2 1 290 158 157 GLU N N 117.83 0.2 1 291 159 158 ILE H H 6.75 0.03 1 292 159 158 ILE HD1 H 0.487 0.03 1 293 159 158 ILE C C 171.93 0.2 1 294 159 158 ILE CA C 57.395 0.2 1 295 159 158 ILE CB C 35.23 0.2 1 296 159 158 ILE CD1 C 12.474 0.2 1 297 159 158 ILE N N 122.61 0.2 1 298 163 162 TYR H H 6.56 0.03 1 299 163 162 TYR C C 170.63 0.2 1 300 163 162 TYR CB C 39.13 0.2 1 301 163 162 TYR N N 114.4 0.2 1 302 164 163 LYS H H 8.86 0.03 1 303 164 163 LYS C C 172.68 0.2 1 304 164 163 LYS CA C 55.37 0.2 1 305 164 163 LYS CB C 31.81 0.2 1 306 164 163 LYS N N 117.44 0.2 1 307 166 165 VAL HG1 H 0.842 0.03 1 308 166 165 VAL HG2 H 1.04 0.03 1 309 166 165 VAL CG1 C 18.556 0.2 1 310 166 165 VAL CG2 C 19.989 0.2 1 311 168 167 VAL H H 8.19 0.03 1 312 168 167 VAL HG1 H 0.633 0.03 1 313 168 167 VAL HG2 H 0.135 0.03 1 314 168 167 VAL C C 172.34 0.2 1 315 168 167 VAL CA C 55.37 0.2 1 316 168 167 VAL CB C 32.71 0.2 1 317 168 167 VAL CG1 C 16.895 0.2 1 318 168 167 VAL CG2 C 20.103 0.2 1 319 168 167 VAL N N 119.03 0.2 1 320 169 168 PHE H H 8.36 0.03 1 321 169 168 PHE CA C 53.27 0.2 1 322 169 168 PHE CB C 39.51 0.2 1 323 169 168 PHE N N 124.82 0.2 1 324 170 169 LEU H H 8.4 0.03 1 325 170 169 LEU HD1 H 0.57 0.03 1 326 170 169 LEU HD2 H 0.019 0.03 1 327 170 169 LEU C C 173.03 0.2 1 328 170 169 LEU CA C 51.105 0.2 1 329 170 169 LEU CB C 41.43 0.2 1 330 170 169 LEU CD1 C 24.208 0.2 1 331 170 169 LEU CD2 C 20.84 0.2 1 332 170 169 LEU N N 122.05 0.2 1 333 171 170 GLN H H 9.24 0.03 1 334 171 170 GLN C C 171.15 0.2 1 335 171 170 GLN CA C 50.475 0.2 1 336 171 170 GLN CB C 30.67 0.2 1 337 171 170 GLN N N 125.78 0.2 1 338 172 171 ASP H H 8.51 0.03 1 339 172 171 ASP C C 173.8 0.2 1 340 172 171 ASP CA C 53.215 0.2 1 341 172 171 ASP CB C 39.44 0.2 1 342 172 171 ASP N N 125.44 0.2 1 343 173 172 LYS H H 9.15 0.03 1 344 173 172 LYS C C 174.89 0.2 1 345 173 172 LYS CB C 39.47 0.2 1 346 173 172 LYS N N 124.29 0.2 1 347 175 174 VAL HG1 H 0.356 0.03 1 348 175 174 VAL HG2 H -0.418 0.03 1 349 175 174 VAL CG1 C 18.457 0.2 1 350 175 174 VAL CG2 C 18.694 0.2 1 351 176 175 ILE H H 6.52 0.03 1 352 176 175 ILE HD1 H 0.925 0.03 1 353 176 175 ILE CA C 56.355 0.2 1 354 176 175 ILE CB C 34.14 0.2 1 355 176 175 ILE CD1 C 12.081 0.2 1 356 176 175 ILE N N 106.03 0.2 1 357 177 176 ALA H H 7.22 0.03 1 358 177 176 ALA C C 172.91 0.2 1 359 177 176 ALA CA C 50.49 0.2 1 360 177 176 ALA CB C 17.99 0.2 1 361 177 176 ALA N N 126.52 0.2 1 362 178 177 GLY H H 9.06 0.03 1 363 178 177 GLY C C 168.52 0.2 1 364 178 177 GLY CA C 40.175 0.2 1 365 178 177 GLY N N 110.27 0.2 1 366 179 178 ASP H H 8.18 0.03 1 367 179 178 ASP CA C 48.815 0.2 1 368 179 178 ASP CB C 35.82 0.2 1 369 179 178 ASP N N 113.74 0.2 1 370 180 179 LEU H H 7.63 0.03 1 371 180 179 LEU HD1 H 1.162 0.03 1 372 180 179 LEU HD2 H 1.259 0.03 1 373 180 179 LEU C C 175.62 0.2 1 374 180 179 LEU CA C 59.795 0.2 1 375 180 179 LEU CB C 40.74 0.2 1 376 180 179 LEU CD1 C 24.406 0.2 1 377 180 179 LEU CD2 C 21.024 0.2 1 378 180 179 LEU N N 119.51 0.2 1 379 181 180 ALA H H 8.11 0.03 1 380 181 180 ALA CA C 50.80 0.2 1 381 181 180 ALA CB C 16.24 0.2 1 382 181 180 ALA N N 123.35 0.2 1 383 182 181 GLY H H 8.72 0.03 1 384 182 181 GLY C C 170.28 0.2 1 385 182 181 GLY CA C 41.86 0.2 1 386 182 181 GLY N N 109.02 0.2 1 387 183 182 SER H H 7.77 0.03 1 388 183 182 SER CA C 54.38 0.2 1 389 183 182 SER CB C 61.06 0.2 1 390 183 182 SER N N 114.3 0.2 1 391 184 183 GLY H H 8.95 0.03 1 392 184 183 GLY C C 173.02 0.2 1 393 184 183 GLY CA C 43.04 0.2 1 394 184 183 GLY N N 109.73 0.2 1 395 188 187 ASN H H 7.29 0.03 1 396 188 187 ASN CA C 52.34 0.2 1 397 188 187 ASN CB C 37.51 0.2 1 398 188 187 ASN N N 115.25 0.2 1 399 189 188 ILE H H 9.2 0.03 1 400 189 188 ILE HD1 H 0.282 0.03 1 401 189 188 ILE C C 173.13 0.2 1 402 189 188 ILE CA C 58.96 0.2 1 403 189 188 ILE CB C 35.84 0.2 1 404 189 188 ILE CD1 C 9.678 0.2 1 405 189 188 ILE N N 123.71 0.2 1 406 190 189 GLY H H 6.86 0.03 1 407 190 189 GLY C C 171.05 0.2 1 408 190 189 GLY CA C 40.58 0.2 1 409 190 189 GLY N N 117.2 0.2 1 410 191 190 SER H H 8.48 0.03 1 411 191 190 SER C C 171.93 0.2 1 412 191 190 SER CA C 55.81 0.2 1 413 191 190 SER CB C 63.24 0.2 1 414 191 190 SER N N 116.96 0.2 1 415 192 191 ILE H H 8.26 0.03 1 416 192 191 ILE HD1 H -0.066 0.03 1 417 192 191 ILE CA C 60.46 0.2 1 418 192 191 ILE CB C 35.57 0.2 1 419 192 191 ILE CD1 C 9.698 0.2 1 420 192 191 ILE N N 113.77 0.2 1 421 193 192 HIS H H 8.82 0.03 1 422 193 192 HIS CA C 49.735 0.2 1 423 193 192 HIS CB C 27.23 0.2 1 424 193 192 HIS N N 125.08 0.2 1 425 194 193 ALA H H 8.75 0.03 1 426 194 193 ALA C C 172.85 0.2 1 427 194 193 ALA CA C 48.205 0.2 1 428 194 193 ALA CB C 19.03 0.2 1 429 194 193 ALA N N 127.35 0.2 1 430 195 194 HIS H H 8.54 0.03 1 431 195 194 HIS C C 173.77 0.2 1 432 195 194 HIS CA C 54.945 0.2 1 433 195 194 HIS CB C 28.04 0.2 1 434 195 194 HIS N N 119.63 0.2 1 435 196 195 TYR H H 9.18 0.03 1 436 196 195 TYR CA C 59.44 0.2 1 437 196 195 TYR CB C 35.39 0.2 1 438 196 195 TYR N N 123.41 0.2 1 439 197 196 LYS H H 8.95 0.03 1 440 197 196 LYS C C 174.47 0.2 1 441 197 196 LYS CA C 56.12 0.2 1 442 197 196 LYS CB C 28.58 0.2 1 443 197 196 LYS N N 117.61 0.2 1 444 198 197 ASP H H 7.68 0.03 1 445 198 197 ASP C C 176.1 0.2 1 446 198 197 ASP CA C 54.305 0.2 1 447 198 197 ASP CB C 36.92 0.2 1 448 198 197 ASP N N 119.32 0.2 1 449 199 198 PHE H H 7.33 0.03 1 450 199 198 PHE CA C 58.295 0.2 1 451 199 198 PHE CB C 33.26 0.2 1 452 199 198 PHE N N 119.25 0.2 1 453 200 199 VAL H H 6.75 0.03 1 454 200 199 VAL HG1 H 0.909 0.03 1 455 200 199 VAL HG2 H 0.547 0.03 1 456 200 199 VAL C C 176.39 0.2 1 457 200 199 VAL CA C 53.86 0.2 1 458 200 199 VAL CB C 28.45 0.2 1 459 200 199 VAL CG1 C 18.15 0.2 1 460 200 199 VAL CG2 C 19.402 0.2 1 461 200 199 VAL N N 118.52 0.2 1 462 201 200 GLU H H 7.94 0.03 1 463 201 200 GLU C C 174.07 0.2 1 464 201 200 GLU CA C 53.86 0.2 1 465 201 200 GLU CB C 26.6 0.2 1 466 201 200 GLU N N 114.91 0.2 1 467 202 201 GLY H H 7.16 0.03 1 468 202 201 GLY C C 170.79 0.2 1 469 202 201 GLY CA C 44.22 0.2 1 470 202 201 GLY N N 109.34 0.2 1 471 203 202 LYS H H 7.84 0.03 1 472 203 202 LYS C C 172.13 0.2 1 473 203 202 LYS CA C 51.43 0.2 1 474 203 202 LYS CB C 27.05 0.2 1 475 203 202 LYS N N 123.44 0.2 1 476 204 203 GLY H H 7.37 0.03 1 477 204 203 GLY CA C 41.31 0.2 1 478 204 203 GLY N N 110.15 0.2 1 479 205 204 ILE HD1 H 0.338 0.03 1 480 205 204 ILE CD1 C 11.406 0.2 1 481 206 205 PHE H H 8.37 0.03 1 482 206 205 PHE CA C 57.325 0.2 1 483 206 205 PHE CB C 36.89 0.2 1 484 206 205 PHE N N 122.12 0.2 1 485 207 206 ASP H H 9.68 0.03 1 486 207 206 ASP CA C 52.705 0.2 1 487 207 206 ASP CB C 39.07 0.2 1 488 207 206 ASP N N 120.85 0.2 1 489 208 207 SER H H 7.47 0.03 1 490 208 207 SER CA C 53.735 0.2 1 491 208 207 SER CB C 62.59 0.2 1 492 208 207 SER N N 110.06 0.2 1 493 209 208 GLU H H 7.78 0.03 1 494 209 208 GLU C C 174.85 0.2 1 495 209 208 GLU CA C 56.13 0.2 1 496 209 208 GLU CB C 25.42 0.2 1 497 209 208 GLU N N 123.38 0.2 1 498 210 209 ASP H H 7.67 0.03 1 499 210 209 ASP C C 175.73 0.2 1 500 210 209 ASP CA C 54.14 0.2 1 501 210 209 ASP CB C 37.22 0.2 1 502 210 209 ASP N N 116.81 0.2 1 503 211 210 GLU H H 7.86 0.03 1 504 211 210 GLU C C 173.9 0.2 1 505 211 210 GLU CA C 56.795 0.2 1 506 211 210 GLU CB C 27.35 0.2 1 507 211 210 GLU N N 124.55 0.2 1 508 212 211 PHE H H 7.21 0.03 1 509 212 211 PHE C C 173.15 0.2 1 510 212 211 PHE CA C 56.17 0.2 1 511 212 211 PHE CB C 35.35 0.2 1 512 212 211 PHE N N 120.34 0.2 1 513 213 212 LEU H H 7.98 0.03 1 514 213 212 LEU HD1 H 1.133 0.03 1 515 213 212 LEU HD2 H 0.91 0.03 1 516 213 212 LEU CA C 54.295 0.2 1 517 213 212 LEU CB C 39.08 0.2 1 518 213 212 LEU CD1 C 22.535 0.2 1 519 213 212 LEU CD2 C 20.584 0.2 1 520 213 212 LEU N N 119.17 0.2 1 521 214 213 ASP H H 7.99 0.03 1 522 214 213 ASP C C 176.09 0.2 1 523 214 213 ASP CA C 55.295 0.2 1 524 214 213 ASP CB C 38.08 0.2 1 525 214 213 ASP N N 119 0.2 1 526 215 214 TYR H H 8.47 0.03 1 527 215 214 TYR C C 177.89 0.2 1 528 215 214 TYR CA C 58.325 0.2 1 529 215 214 TYR CB C 36.04 0.2 1 530 215 214 TYR N N 119.94 0.2 1 531 216 215 TRP H H 7.72 0.03 1 532 216 215 TRP C C 175.43 0.2 1 533 216 215 TRP CA C 57.385 0.2 1 534 216 215 TRP CB C 25.02 0.2 1 535 216 215 TRP N N 119.97 0.2 1 536 217 216 ARG H H 8.63 0.03 1 537 217 216 ARG C C 173.98 0.2 1 538 217 216 ARG CA C 55.77 0.2 1 539 217 216 ARG CB C 27.78 0.2 1 540 217 216 ARG N N 119.83 0.2 1 541 218 217 ASN H H 6.75 0.03 1 542 218 217 ASN CA C 49.94 0.2 1 543 218 217 ASN CB C 38.58 0.2 1 544 218 217 ASN N N 113.29 0.2 1 545 219 218 TYR H H 6.38 0.03 1 546 219 218 TYR CA C 55.4 0.2 1 547 219 218 TYR CB C 35.5 0.2 1 548 219 218 TYR N N 124.01 0.2 1 549 220 219 GLU H H 6.51 0.03 1 550 220 219 GLU C C 173.66 0.2 1 551 220 219 GLU CA C 51.78 0.2 1 552 220 219 GLU CB C 26.53 0.2 1 553 220 219 GLU N N 125.73 0.2 1 554 221 220 ARG H H 8.67 0.03 1 555 221 220 ARG CB C 26.47 0.2 1 556 221 220 ARG N N 116.33 0.2 1 557 222 221 THR H H 7.06 0.03 1 558 222 221 THR CB C 68.92 0.2 1 559 222 221 THR N N 105.87 0.2 1 560 224 223 GLN H H 8.55 0.03 1 561 224 223 GLN C C 175.86 0.2 1 562 224 223 GLN CA C 56.01 0.2 1 563 224 223 GLN CB C 24.69 0.2 1 564 224 223 GLN N N 120.27 0.2 1 565 225 224 LEU H H 7.11 0.03 1 566 225 224 LEU HD1 H 1.019 0.03 1 567 225 224 LEU HD2 H 0.87 0.03 1 568 225 224 LEU C C 176.65 0.2 1 569 225 224 LEU CA C 53.33 0.2 1 570 225 224 LEU CB C 39.03 0.2 1 571 225 224 LEU CD1 C 22.961 0.2 1 572 225 224 LEU CD2 C 19.445 0.2 1 573 225 224 LEU N N 117.91 0.2 1 574 226 225 ARG H H 7.82 0.03 1 575 226 225 ARG C C 176.07 0.2 1 576 226 225 ARG CA C 56.515 0.2 1 577 226 225 ARG CB C 27.43 0.2 1 578 226 225 ARG N N 119.39 0.2 1 579 227 226 ASN H H 7.54 0.03 1 580 227 226 ASN C C 173.03 0.2 1 581 227 226 ASN CA C 53.18 0.2 1 582 227 226 ASN CB C 35.6 0.2 1 583 227 226 ASN N N 117.66 0.2 1 584 228 227 ASP H H 7.44 0.03 1 585 228 227 ASP CA C 51.135 0.2 1 586 228 227 ASP CB C 37.95 0.2 1 587 228 227 ASP N N 116.57 0.2 1 588 229 228 LYS H H 7.59 0.03 1 589 229 228 LYS C C 170.13 0.2 1 590 229 228 LYS CA C 54.37 0.2 1 591 229 228 LYS CB C 30.85 0.2 1 592 229 228 LYS N N 124.35 0.2 1 593 230 229 TYR H H 6.38 0.03 1 594 230 229 TYR C C 171.27 0.2 1 595 230 229 TYR CB C 36.53 0.2 1 596 230 229 TYR N N 112.48 0.2 1 597 231 230 ASN H H 9.05 0.03 1 598 231 230 ASN C C 171.28 0.2 1 599 231 230 ASN CA C 49.86 0.2 1 600 231 230 ASN CB C 39.14 0.2 1 601 231 230 ASN N N 115.71 0.2 1 602 232 231 ASN H H 7.73 0.03 1 603 232 231 ASN C C 174.62 0.2 1 604 232 231 ASN CA C 49.93 0.2 1 605 232 231 ASN CB C 36.54 0.2 1 606 232 231 ASN N N 112.55 0.2 1 607 233 232 ILE H H 10.96 0.03 1 608 233 232 ILE HD1 H 0.591 0.03 1 609 233 232 ILE C C 173.53 0.2 1 610 233 232 ILE CA C 59.93 0.2 1 611 233 232 ILE CB C 34.85 0.2 1 612 233 232 ILE CD1 C 13.126 0.2 1 613 233 232 ILE N N 121.77 0.2 1 614 234 233 SER H H 7.88 0.03 1 615 234 233 SER CA C 58.95 0.2 1 616 234 233 SER CB C 34.9 0.2 1 617 234 233 SER N N 120.91 0.2 1 618 235 234 GLU H H 8.51 0.03 1 619 235 234 GLU C C 177.56 0.2 1 620 235 234 GLU CA C 55.85 0.2 1 621 235 234 GLU CB C 27.47 0.2 1 622 235 234 GLU N N 122.28 0.2 1 623 236 235 TYR H H 8.87 0.03 1 624 236 235 TYR CA C 57.94 0.2 1 625 236 235 TYR CB C 35.12 0.2 1 626 236 235 TYR N N 126.14 0.2 1 627 237 236 ARG H H 8.38 0.03 1 628 237 236 ARG C C 176.48 0.2 1 629 237 236 ARG CA C 57.44 0.2 1 630 237 236 ARG CB C 25.32 0.2 1 631 237 236 ARG N N 120.31 0.2 1 632 238 237 ASN H H 7.65 0.03 1 633 238 237 ASN C C 173.54 0.2 1 634 238 237 ASN CA C 53.25 0.2 1 635 238 237 ASN CB C 35.6 0.2 1 636 238 237 ASN N N 118.89 0.2 1 637 239 238 TRP H H 8.51 0.03 1 638 239 238 TRP C C 176.49 0.2 1 639 239 238 TRP CA C 58.78 0.2 1 640 239 238 TRP CB C 24.66 0.2 1 641 239 238 TRP N N 125.75 0.2 1 642 240 239 ILE H H 8.32 0.03 1 643 240 239 ILE HD1 H 0.635 0.03 1 644 240 239 ILE C C 177.31 0.2 1 645 240 239 ILE CA C 60.46 0.2 1 646 240 239 ILE CB C 32.86 0.2 1 647 240 239 ILE CD1 C 9.093 0.2 1 648 240 239 ILE N N 118.62 0.2 1 649 241 240 TYR H H 7.66 0.03 1 650 241 240 TYR CA C 57.29 0.2 1 651 241 240 TYR CB C 34.5 0.2 1 652 241 240 TYR N N 123.25 0.2 1 653 242 241 ARG H H 7.82 0.03 1 654 242 241 ARG C C 173.54 0.2 1 655 242 241 ARG CA C 53.61 0.2 1 656 242 241 ARG CB C 27.27 0.2 1 657 242 241 ARG N N 117.34 0.2 1 658 243 242 GLY H H 7.72 0.03 1 659 243 242 GLY C C 171.36 0.2 1 660 243 242 GLY CA C 42.44 0.2 1 661 243 242 GLY N N 107.78 0.2 1 662 244 243 ARG H H 7.99 0.03 1 663 244 243 ARG C C 171.87 0.2 1 664 244 243 ARG CA C 52.89 0.2 1 665 244 243 ARG CB C 24.12 0.2 1 666 244 243 ARG N N 117.86 0.2 1 667 245 244 LYS H H 7.03 0.03 1 668 245 244 LYS C C 178.45 0.2 1 669 245 244 LYS CA C 54.40 0.2 1 670 245 244 LYS CB C 30.19 0.2 1 671 245 244 LYS N N 123.62 0.2 1 stop_ save_