data_27868 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Backbone 1H, 13C and 15N chemical shift assignment for CHIKV HVD ; _BMRB_accession_number 27868 _BMRB_flat_file_name bmr27868.str _Entry_type original _Submission_date 2019-04-04 _Accession_date 2019-04-04 _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 Agback Peter . . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 375 "13C chemical shifts" 633 "15N chemical shifts" 201 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2020-02-26 original BMRB . stop_ _Original_release_date 2019-04-05 save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full . _Citation_title ; Structural characterization and biological function of bivalent binding of CD2AP to intrinsically disordered domain of chikungunya virus nsP3 protein ; _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 31493651 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Agback Peter . . 2 Dominguez Francisco . . 3 Pustovalova Yulia . . 4 Lukash Tetyana . . 5 Shiliaev Nikita . . 6 Orekhov Vladislav Y. . 7 Frolov Ilya . . 8 Agback Tatiana . . 9 Frolova Elena I. . stop_ _Journal_abbreviation Virology _Journal_name_full Virology _Journal_volume 537 _Journal_issue . _Journal_ISSN 1096-0341 _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 130 _Page_last 142 _Year 2019 _Details . save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name 'CHIKV protein' _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label 'CHIKV protein' $CHIKV_HVD stop_ _System_molecular_weight . _System_physical_state 'intrinsically disordered' _System_oligomer_state ? _System_paramagnetic no _System_thiol_state . _Database_query_date . _Details . save_ ######################## # Monomeric polymers # ######################## save_CHIKV_HVD _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common CHIKV_HVD _Molecular_mass . _Mol_thiol_state 'not reported' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 230 _Mol_residue_sequence ; GRSSQESVQEVSTTTSLTHS QFDLSADGETLPVPSDLDAD APALEPALDDGAVHTLPTII GNLAAVSDWVMSTVPVAPPR RRRGRNLTVTCDEREGNITP MASVRFFRAELCPAVQETAE TRDTAISLQAPPSTTMELSH PPISFGAPSETFPITFGDFD EGEIESLSSELLTFGDFLPG EVDDLTDSDWSTCPDTDDEL GSWSHPQFEKGGGSGGGSGG GSWSHPQFEK ; loop_ _Residue_seq_code _Residue_label 1 GLY 2 ARG 3 SER 4 SER 5 GLN 6 GLU 7 SER 8 VAL 9 GLN 10 GLU 11 VAL 12 SER 13 THR 14 THR 15 THR 16 SER 17 LEU 18 THR 19 HIS 20 SER 21 GLN 22 PHE 23 ASP 24 LEU 25 SER 26 ALA 27 ASP 28 GLY 29 GLU 30 THR 31 LEU 32 PRO 33 VAL 34 PRO 35 SER 36 ASP 37 LEU 38 ASP 39 ALA 40 ASP 41 ALA 42 PRO 43 ALA 44 LEU 45 GLU 46 PRO 47 ALA 48 LEU 49 ASP 50 ASP 51 GLY 52 ALA 53 VAL 54 HIS 55 THR 56 LEU 57 PRO 58 THR 59 ILE 60 ILE 61 GLY 62 ASN 63 LEU 64 ALA 65 ALA 66 VAL 67 SER 68 ASP 69 TRP 70 VAL 71 MET 72 SER 73 THR 74 VAL 75 PRO 76 VAL 77 ALA 78 PRO 79 PRO 80 ARG 81 ARG 82 ARG 83 ARG 84 GLY 85 ARG 86 ASN 87 LEU 88 THR 89 VAL 90 THR 91 CYS 92 ASP 93 GLU 94 ARG 95 GLU 96 GLY 97 ASN 98 ILE 99 THR 100 PRO 101 MET 102 ALA 103 SER 104 VAL 105 ARG 106 PHE 107 PHE 108 ARG 109 ALA 110 GLU 111 LEU 112 CYS 113 PRO 114 ALA 115 VAL 116 GLN 117 GLU 118 THR 119 ALA 120 GLU 121 THR 122 ARG 123 ASP 124 THR 125 ALA 126 ILE 127 SER 128 LEU 129 GLN 130 ALA 131 PRO 132 PRO 133 SER 134 THR 135 THR 136 MET 137 GLU 138 LEU 139 SER 140 HIS 141 PRO 142 PRO 143 ILE 144 SER 145 PHE 146 GLY 147 ALA 148 PRO 149 SER 150 GLU 151 THR 152 PHE 153 PRO 154 ILE 155 THR 156 PHE 157 GLY 158 ASP 159 PHE 160 ASP 161 GLU 162 GLY 163 GLU 164 ILE 165 GLU 166 SER 167 LEU 168 SER 169 SER 170 GLU 171 LEU 172 LEU 173 THR 174 PHE 175 GLY 176 ASP 177 PHE 178 LEU 179 PRO 180 GLY 181 GLU 182 VAL 183 ASP 184 ASP 185 LEU 186 THR 187 ASP 188 SER 189 ASP 190 TRP 191 SER 192 THR 193 CYS 194 PRO 195 ASP 196 THR 197 ASP 198 ASP 199 GLU 200 LEU 201 GLY 202 SER 203 TRP 204 SER 205 HIS 206 PRO 207 GLN 208 PHE 209 GLU 210 LYS 211 GLY 212 GLY 213 GLY 214 SER 215 GLY 216 GLY 217 GLY 218 SER 219 GLY 220 GLY 221 GLY 222 SER 223 TRP 224 SER 225 HIS 226 PRO 227 GLN 228 PHE 229 GLU 230 LYS 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 $CHIKV_HVD '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 $CHIKV_HVD 'recombinant technology' . Escherichia coli . pE-SUMOpro-3 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 $CHIKV_HVD 0.27 mM '[U-99% 13C; U-99% 15N]' 'sodium chloride' 50 mM 'natural abundance' TCEP 2 mM 'natural abundance' 'sodium phosphate' 25 mM 'natural abundance' 'sodium azide' 1 mM 'natural abundance' D2O 10 % '[U-99% 2H]' stop_ save_ ############################ # Computer software used # ############################ save_TOPSPIN _Saveframe_category software _Name TOPSPIN _Version 3.5 loop_ _Vendor _Address _Electronic_address 'Bruker Biospin' . . stop_ loop_ _Task collection stop_ _Details . 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 800 _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_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-15N_HSQC_5 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-15N HSQC' _Sample_label $sample_1 save_ save_2D_1H-15N_HSQC_6 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-15N HSQC' _Sample_label $sample_1 save_ save_3D_HNCO_7 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCO' _Sample_label $sample_1 save_ save_3D_HNCO_8 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCO' _Sample_label $sample_1 save_ save_3D_HNCA_9 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCA' _Sample_label $sample_1 save_ save_3D_HNCA_10 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCA' _Sample_label $sample_1 save_ save_3D_HNCA_11 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCA' _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' 200 . mM pH 6.8 . 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 DSS C 13 'methyl protons' ppm 0.00 na indirect . . . 0.251449530 DSS H 1 'methyl protons' ppm 0.00 internal direct . . . 1.000000000 DSS N 15 'methyl protons' ppm 0.00 na indirect . . . 0.101329118 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_assigned_chem_shift_list_1 _Saveframe_category assigned_chemical_shifts _Details . loop_ _Experiment_label '2D 1H-15N HSQC' '3D HNCO' 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 'CHIKV protein' _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 GLY HA2 H 3.84 . . 2 1 1 GLY HA3 H 3.84 . . 3 1 1 GLY C C 176.26 . . 4 1 1 GLY CA C 43.22 . . 5 2 2 ARG H H 8.69 . . 6 2 2 ARG HA H 4.39 . . 7 2 2 ARG C C 176.62 . . 8 2 2 ARG CA C 56.39 . . 9 2 2 ARG CB C 30.99 . . 10 2 2 ARG N N 120.77 . . 11 3 3 SER H H 8.63 . . 12 3 3 SER HA H 4.5 . . 13 3 3 SER C C 174.89 . . 14 3 3 SER CA C 58.4 . . 15 3 3 SER CB C 63.97 . . 16 3 3 SER N N 117.84 . . 17 4 4 SER H H 8.48 . . 18 4 4 SER HA H 4.42 . . 19 4 4 SER C C 174.76 . . 20 4 4 SER CA C 58.82 . . 21 4 4 SER CB C 63.56 . . 22 4 4 SER N N 118.10 . . 23 5 5 GLN H H 8.40 . . 24 5 5 GLN HA H 4.32 . . 25 5 5 GLN C C 176.07 . . 26 5 5 GLN CA C 56.15 . . 27 5 5 GLN CB C 29.31 . . 28 5 5 GLN N N 121.55 . . 29 6 6 GLU H H 8.30 . . 30 6 6 GLU HA H 4.27 . . 31 6 6 GLU C C 176.58 . . 32 6 6 GLU CA C 56.82 . . 33 6 6 GLU CB C 30.27 . . 34 6 6 GLU N N 121.49 . . 35 7 7 SER H H 8.31 . . 36 7 7 SER HA H 4.45 . . 37 7 7 SER C C 174.52 . . 38 7 7 SER CA C 58.39 . . 39 7 7 SER CB C 63.77 . . 40 7 7 SER N N 116.86 . . 41 8 8 VAL H H 8.15 . . 42 8 8 VAL HA H 4.1 . . 43 8 8 VAL C C 176.15 . . 44 8 8 VAL CA C 62.45 . . 45 8 8 VAL CB C 32.62 . . 46 8 8 VAL N N 121.95 . . 47 9 9 GLN H H 8.40 . . 48 9 9 GLN HA H 4.31 . . 49 9 9 GLN C C 175.83 . . 50 9 9 GLN CA C 55.72 . . 51 9 9 GLN CB C 29.6 . . 52 9 9 GLN N N 124.10 . . 53 10 10 GLU H H 8.45 . . 54 10 10 GLU C C 176.47 . . 55 10 10 GLU CA C 56.56 . . 56 10 10 GLU CB C 30.27 . . 57 10 10 GLU N N 123.21 . . 58 11 11 VAL H H 8.28 . . 59 11 11 VAL HA H 4.13 . . 60 11 11 VAL C C 176.3 . . 61 11 11 VAL CA C 62.37 . . 62 11 11 VAL CB C 32.82 . . 63 11 11 VAL N N 121.72 . . 64 12 12 SER H H 8.48 . . 65 12 12 SER HA H 4.54 . . 66 12 12 SER C C 175.02 . . 67 12 12 SER CA C 58.25 . . 68 12 12 SER CB C 63.81 . . 69 12 12 SER N N 119.72 . . 70 13 13 THR H H 8.30 . . 71 13 13 THR HA H 4.42 . . 72 13 13 THR C C 175 . . 73 13 13 THR CA C 61.96 . . 74 13 13 THR CB C 69.74 . . 75 13 13 THR N N 116.08 . . 76 14 14 THR H H 8.20 . . 77 14 14 THR HA H 4.4 . . 78 14 14 THR C C 174.9 . . 79 14 14 THR CA C 62.16 . . 80 14 14 THR CB C 69.74 . . 81 14 14 THR N N 116.06 . . 82 15 15 THR H H 8.16 . . 83 15 15 THR HA H 4.36 . . 84 15 15 THR C C 174.59 . . 85 15 15 THR CA C 62.11 . . 86 15 15 THR CB C 69.81 . . 87 15 15 THR N N 116.59 . . 88 16 16 SER H H 8.32 . . 89 16 16 SER HA H 4.43 . . 90 16 16 SER C C 174.61 . . 91 16 16 SER CA C 58.42 . . 92 16 16 SER CB C 63.73 . . 93 16 16 SER N N 118.37 . . 94 17 17 LEU H H 8.33 . . 95 17 17 LEU HA H 4.38 . . 96 17 17 LEU C C 177.71 . . 97 17 17 LEU CA C 55.42 . . 98 17 17 LEU CB C 42.33 . . 99 17 17 LEU N N 124.24 . . 100 18 18 THR H H 8.05 . . 101 18 18 THR HA H 4.27 . . 102 18 18 THR C C 174.4 . . 103 18 18 THR CA C 61.95 . . 104 18 18 THR CB C 69.81 . . 105 18 18 THR N N 113.97 . . 106 19 19 HIS H H 8.41 . . 107 19 19 HIS HA H 4.71 . . 108 19 19 HIS C C 174.59 . . 109 19 19 HIS CA C 55.6 . . 110 19 19 HIS CB C 29.45 . . 111 19 19 HIS N N 120.72 . . 112 20 20 SER H H 8.43 . . 113 20 20 SER HA H 4.4 . . 114 20 20 SER C C 174.63 . . 115 20 20 SER CA C 58.4 . . 116 20 20 SER CB C 63.98 . . 117 20 20 SER N N 117.40 . . 118 21 21 GLN H H 8.51 . . 119 21 21 GLN HA H 4.21 . . 120 21 21 GLN C C 175.69 . . 121 21 21 GLN CA C 56.38 . . 122 21 21 GLN CB C 29.24 . . 123 21 21 GLN N N 122.28 . . 124 22 22 PHE H H 8.11 . . 125 22 22 PHE HA H 4.61 . . 126 22 22 PHE C C 175.33 . . 127 22 22 PHE CA C 57.62 . . 128 22 22 PHE CB C 39.61 . . 129 22 22 PHE N N 119.97 . . 130 23 23 ASP H H 8.16 . . 131 23 23 ASP HA H 4.58 . . 132 23 23 ASP C C 176.05 . . 133 23 23 ASP CA C 54.18 . . 134 23 23 ASP CB C 41.11 . . 135 23 23 ASP N N 121.47 . . 136 24 24 LEU H H 8.20 . . 137 24 24 LEU HA H 4.35 . . 138 24 24 LEU C C 177.67 . . 139 24 24 LEU CA C 55.26 . . 140 24 24 LEU CB C 42.25 . . 141 24 24 LEU N N 123.06 . . 142 25 25 SER H H 8.37 . . 143 25 25 SER HA H 4.38 . . 144 25 25 SER C C 174.68 . . 145 25 25 SER CA C 58.61 . . 146 25 25 SER CB C 63.99 . . 147 25 25 SER N N 116.48 . . 148 26 26 ALA H H 8.31 . . 149 26 26 ALA HA H 4.3 . . 150 26 26 ALA C C 177.64 . . 151 26 26 ALA CA C 52.74 . . 152 26 26 ALA CB C 19.13 . . 153 26 26 ALA N N 126.02 . . 154 27 27 ASP H H 8.20 . . 155 27 27 ASP HA H 4.57 . . 156 27 27 ASP C C 176.83 . . 157 27 27 ASP CA C 54.49 . . 158 27 27 ASP CB C 41.18 . . 159 27 27 ASP N N 118.85 . . 160 28 28 GLY H H 8.20 . . 161 28 28 GLY HA2 H 3.92 . . 162 28 28 GLY HA3 H 3.92 . . 163 28 28 GLY C C 174.18 . . 164 28 28 GLY CA C 45.38 . . 165 28 28 GLY N N 109.01 . . 166 29 29 GLU H H 8.19 . . 167 29 29 GLU HA H 4.34 . . 168 29 29 GLU C C 176.59 . . 169 29 29 GLU CA C 56.33 . . 170 29 29 GLU CB C 30.59 . . 171 29 29 GLU N N 120.38 . . 172 30 30 THR H H 8.30 . . 173 30 30 THR HA H 4.3 . . 174 30 30 THR C C 174.27 . . 175 30 30 THR CA C 61.96 . . 176 30 30 THR CB C 69.81 . . 177 30 30 THR N N 116.58 . . 178 31 31 LEU H H 8.36 . . 179 31 31 LEU C C 175.1 . . 180 31 31 LEU CA C 53.04 . . 181 31 31 LEU CB C 41.71 . . 182 31 31 LEU N N 127.10 . . 183 32 32 PRO HA H 4.42 . . 184 32 32 PRO C C 176.65 . . 185 32 32 PRO CA C 62.8 . . 186 32 32 PRO CB C 32.05 . . 187 33 33 VAL H H 8.25 . . 188 33 33 VAL C C 174.87 . . 189 33 33 VAL CA C 59.81 . . 190 33 33 VAL CB C 32.47 . . 191 33 33 VAL N N 122.02 . . 192 34 34 PRO HA H 4.4 . . 193 34 34 PRO C C 177 . . 194 34 34 PRO CA C 63.44 . . 195 34 34 PRO CB C 32.27 . . 196 35 35 SER H H 8.43 . . 197 35 35 SER HA H 4.41 . . 198 35 35 SER C C 174.54 . . 199 35 35 SER CA C 58.4 . . 200 35 35 SER CB C 64.04 . . 201 35 35 SER N N 116.10 . . 202 36 36 ASP H H 8.41 . . 203 36 36 ASP HA H 4.59 . . 204 36 36 ASP C C 176.3 . . 205 36 36 ASP CA C 54.41 . . 206 36 36 ASP CB C 40.9 . . 207 36 36 ASP N N 122.38 . . 208 37 37 LEU H H 8.08 . . 209 37 37 LEU HA H 4.26 . . 210 37 37 LEU C C 177.34 . . 211 37 37 LEU CA C 55.45 . . 212 37 37 LEU CB C 42.28 . . 213 37 37 LEU N N 121.73 . . 214 38 38 ASP H H 8.24 . . 215 38 38 ASP HA H 4.55 . . 216 38 38 ASP C C 176.22 . . 217 38 38 ASP CA C 54.34 . . 218 38 38 ASP CB C 41.01 . . 219 38 38 ASP N N 121.01 . . 220 39 39 ALA H H 8.11 . . 221 39 39 ALA HA H 4.22 . . 222 39 39 ALA C C 177.59 . . 223 39 39 ALA CA C 52.88 . . 224 39 39 ALA CB C 19.35 . . 225 39 39 ALA N N 124.47 . . 226 40 40 ASP H H 8.26 . . 227 40 40 ASP HA H 4.57 . . 228 40 40 ASP C C 175.6 . . 229 40 40 ASP CA C 54.09 . . 230 40 40 ASP CB C 41.13 . . 231 40 40 ASP N N 118.78 . . 232 41 41 ALA H H 7.94 . . 233 41 41 ALA C C 175.37 . . 234 41 41 ALA CA C 50.67 . . 235 41 41 ALA CB C 18.15 . . 236 41 41 ALA N N 125.21 . . 237 42 42 PRO HA H 4.36 . . 238 42 42 PRO C C 176.59 . . 239 42 42 PRO CA C 62.97 . . 240 42 42 PRO CB C 32.04 . . 241 43 43 ALA H H 8.36 . . 242 43 43 ALA HA H 4.26 . . 243 43 43 ALA C C 177.61 . . 244 43 43 ALA CA C 52.11 . . 245 43 43 ALA CB C 19.15 . . 246 43 43 ALA N N 124.49 . . 247 44 44 LEU H H 8.22 . . 248 44 44 LEU HA H 4.31 . . 249 44 44 LEU C C 177.2 . . 250 44 44 LEU CA C 54.86 . . 251 44 44 LEU CB C 42.54 . . 252 44 44 LEU N N 122.06 . . 253 45 45 GLU H H 8.34 . . 254 45 45 GLU C C 174.38 . . 255 45 45 GLU CA C 54.22 . . 256 45 45 GLU CB C 29.68 . . 257 45 45 GLU N N 123.36 . . 258 46 46 PRO HA H 4.34 . . 259 46 46 PRO C C 176.51 . . 260 46 46 PRO CA C 63.15 . . 261 46 46 PRO CB C 32.11 . . 262 47 47 ALA H H 8.40 . . 263 47 47 ALA HA H 4.29 . . 264 47 47 ALA C C 177.75 . . 265 47 47 ALA CA C 52.1 . . 266 47 47 ALA CB C 19.22 . . 267 47 47 ALA N N 124.44 . . 268 48 48 LEU H H 8.26 . . 269 48 48 LEU C C 177.19 . . 270 48 48 LEU CA C 55.09 . . 271 48 48 LEU CB C 42.42 . . 272 48 48 LEU N N 121.87 . . 273 49 49 ASP H H 8.30 . . 274 49 49 ASP HA H 4.61 . . 275 49 49 ASP C C 176.06 . . 276 49 49 ASP CA C 53.92 . . 277 49 49 ASP CB C 41.25 . . 278 49 49 ASP N N 121.24 . . 279 50 50 ASP H H 8.29 . . 280 50 50 ASP HA H 4.53 . . 281 50 50 ASP C C 177.27 . . 282 50 50 ASP CA C 54.48 . . 283 50 50 ASP CB C 40.96 . . 284 50 50 ASP N N 121.75 . . 285 51 51 GLY H H 8.51 . . 286 51 51 GLY HA2 H 3.89 . . 287 51 51 GLY HA3 H 3.89 . . 288 51 51 GLY C C 174.26 . . 289 51 51 GLY CA C 45.57 . . 290 51 51 GLY N N 109.33 . . 291 52 52 ALA H H 7.96 . . 292 52 52 ALA HA H 4.28 . . 293 52 52 ALA C C 177.63 . . 294 52 52 ALA CA C 52.31 . . 295 52 52 ALA CB C 19.35 . . 296 52 52 ALA N N 123.33 . . 297 53 53 VAL H H 8.00 . . 298 53 53 VAL HA H 3.97 . . 299 53 53 VAL C C 176.2 . . 300 53 53 VAL CA C 62.55 . . 301 53 53 VAL CB C 32.54 . . 302 53 53 VAL N N 118.82 . . 303 54 54 HIS H H 8.58 . . 304 54 54 HIS HA H 4.81 . . 305 54 54 HIS C C 174.49 . . 306 54 54 HIS CA C 55.03 . . 307 54 54 HIS CB C 29.39 . . 308 54 54 HIS N N 122.97 . . 309 55 55 THR H H 8.17 . . 310 55 55 THR HA H 4.29 . . 311 55 55 THR C C 174.15 . . 312 55 55 THR CA C 61.89 . . 313 55 55 THR CB C 69.88 . . 314 55 55 THR N N 116.41 . . 315 56 56 LEU H H 8.38 . . 316 56 56 LEU C C 175.28 . . 317 56 56 LEU CA C 53.17 . . 318 56 56 LEU CB C 41.77 . . 319 56 56 LEU N N 126.33 . . 320 57 57 PRO HA H 4.45 . . 321 57 57 PRO C C 176.87 . . 322 57 57 PRO CA C 63.14 . . 323 57 57 PRO CB C 32.1 . . 324 58 58 THR H H 8.21 . . 325 58 58 THR HA H 4.24 . . 326 58 58 THR C C 174.44 . . 327 58 58 THR CA C 62.21 . . 328 58 58 THR CB C 69.75 . . 329 58 58 THR N N 115.33 . . 330 59 59 ILE H H 8.18 . . 331 59 59 ILE HA H 4.17 . . 332 59 59 ILE C C 176.06 . . 333 59 59 ILE CA C 61 . . 334 59 59 ILE CB C 38.64 . . 335 59 59 ILE N N 124.11 . . 336 60 60 ILE H H 8.24 . . 337 60 60 ILE HA H 4.11 . . 338 60 60 ILE C C 176.67 . . 339 60 60 ILE CA C 61.22 . . 340 60 60 ILE CB C 38.57 . . 341 60 60 ILE N N 125.59 . . 342 61 61 GLY H H 8.40 . . 343 61 61 GLY HA2 H 3.9 . . 344 61 61 GLY HA3 H 3.9 . . 345 61 61 GLY C C 173.73 . . 346 61 61 GLY CA C 45.2 . . 347 61 61 GLY N N 112.74 . . 348 62 62 ASN H H 8.26 . . 349 62 62 ASN HA H 4.66 . . 350 62 62 ASN C C 175.44 . . 351 62 62 ASN CA C 53.13 . . 352 62 62 ASN CB C 38.73 . . 353 62 62 ASN N N 118.63 . . 354 63 63 LEU H H 8.24 . . 355 63 63 LEU HA H 4.27 . . 356 63 63 LEU C C 177.24 . . 357 63 63 LEU CA C 55.45 . . 358 63 63 LEU CB C 42.22 . . 359 63 63 LEU N N 122.81 . . 360 64 64 ALA H H 8.16 . . 361 64 64 ALA HA H 4.24 . . 362 64 64 ALA C C 177.47 . . 363 64 64 ALA CA C 52.51 . . 364 64 64 ALA CB C 19.08 . . 365 64 64 ALA N N 124.06 . . 366 65 65 ALA H H 8.09 . . 367 65 65 ALA HA H 4.29 . . 368 65 65 ALA C C 177.86 . . 369 65 65 ALA CA C 52.33 . . 370 65 65 ALA CB C 19.42 . . 371 65 65 ALA N N 122.88 . . 372 66 66 VAL H H 8.00 . . 373 66 66 VAL HA H 4.05 . . 374 66 66 VAL C C 176.37 . . 375 66 66 VAL CA C 62.38 . . 376 66 66 VAL CB C 32.74 . . 377 66 66 VAL N N 118.83 . . 378 67 67 SER H H 8.25 . . 379 67 67 SER HA H 4.37 . . 380 67 67 SER C C 174.33 . . 381 67 67 SER CA C 58.45 . . 382 67 67 SER CB C 63.77 . . 383 67 67 SER N N 118.65 . . 384 68 68 ASP H H 8.24 . . 385 68 68 ASP HA H 4.54 . . 386 68 68 ASP C C 176.06 . . 387 68 68 ASP CA C 54.67 . . 388 68 68 ASP CB C 40.83 . . 389 68 68 ASP N N 122.10 . . 390 69 69 TRP H H 7.99 . . 391 69 69 TRP HA H 4.59 . . 392 69 69 TRP C C 176.29 . . 393 69 69 TRP CA C 57.64 . . 394 69 69 TRP CB C 29.45 . . 395 69 69 TRP N N 120.90 . . 396 70 70 VAL H H 7.80 . . 397 70 70 VAL C C 175.86 . . 398 70 70 VAL CA C 62.47 . . 399 70 70 VAL CB C 32.91 . . 400 70 70 VAL N N 122.22 . . 401 71 71 MET H H 8.17 . . 402 71 71 MET HA H 4.32 . . 403 71 71 MET C C 176.26 . . 404 71 71 MET CA C 55.55 . . 405 71 71 MET CB C 32.83 . . 406 71 71 MET N N 123.18 . . 407 72 72 SER H H 8.22 . . 408 72 72 SER HA H 4.46 . . 409 72 72 SER C C 174.7 . . 410 72 72 SER CA C 58.4 . . 411 72 72 SER CB C 63.85 . . 412 72 72 SER N N 116.98 . . 413 73 73 THR H H 8.14 . . 414 73 73 THR HA H 4.34 . . 415 73 73 THR C C 174.32 . . 416 73 73 THR CA C 61.87 . . 417 73 73 THR CB C 69.74 . . 418 73 73 THR N N 115.84 . . 419 74 74 VAL H H 8.04 . . 420 74 74 VAL C C 174.4 . . 421 74 74 VAL CA C 60.01 . . 422 74 74 VAL CB C 32.66 . . 423 74 74 VAL N N 123.78 . . 424 75 75 PRO C C 176.68 . . 425 75 75 PRO CA C 63.1 . . 426 75 75 PRO CB C 32.15 . . 427 76 76 VAL H H 8.16 . . 428 76 76 VAL C C 175.61 . . 429 76 76 VAL CA C 61.88 . . 430 76 76 VAL CB C 33 . . 431 76 76 VAL N N 120.56 . . 432 77 77 ALA H H 8.33 . . 433 77 77 ALA C C 174.8 . . 434 77 77 ALA CA C 50.24 . . 435 77 77 ALA CB C 18.28 . . 436 77 77 ALA N N 129.37 . . 437 80 80 ARG H H 8.39 . . 438 80 80 ARG C C 176.23 . . 439 80 80 ARG CA C 56.04 . . 440 80 80 ARG CB C 30.97 . . 441 80 80 ARG N N 121.17 . . 442 81 81 ARG H H 8.39 . . 443 81 81 ARG C C 176.03 . . 444 81 81 ARG CA C 55.87 . . 445 81 81 ARG CB C 31.16 . . 446 81 81 ARG N N 122.39 . . 447 82 82 ARG H H 8.48 . . 448 82 82 ARG C C 176.07 . . 449 82 82 ARG CA C 56 . . 450 82 82 ARG CB C 31.16 . . 451 82 82 ARG N N 122.90 . . 452 83 83 ARG H H 8.51 . . 453 83 83 ARG C C 176.57 . . 454 83 83 ARG CA C 56.29 . . 455 83 83 ARG CB C 31.09 . . 456 83 83 ARG N N 122.77 . . 457 84 84 GLY H H 8.47 . . 458 84 84 GLY C C 173.78 . . 459 84 84 GLY CA C 45.16 . . 460 84 84 GLY N N 110.16 . . 461 85 85 ARG H H 8.30 . . 462 85 85 ARG C C 175.98 . . 463 85 85 ARG CA C 56.15 . . 464 85 85 ARG CB C 31 . . 465 85 85 ARG N N 120.38 . . 466 86 86 ASN H H 8.57 . . 467 86 86 ASN C C 175.07 . . 468 86 86 ASN CA C 53.28 . . 469 86 86 ASN CB C 38.65 . . 470 86 86 ASN N N 119.65 . . 471 87 87 LEU H H 8.30 . . 472 87 87 LEU HA H 4.37 . . 473 87 87 LEU C C 177.38 . . 474 87 87 LEU CA C 55.38 . . 475 87 87 LEU CB C 42.35 . . 476 87 87 LEU N N 122.63 . . 477 88 88 THR H H 8.17 . . 478 88 88 THR HA H 4.34 . . 479 88 88 THR C C 174.41 . . 480 88 88 THR CA C 62.06 . . 481 88 88 THR CB C 69.88 . . 482 88 88 THR N N 115.11 . . 483 89 89 VAL H H 8.14 . . 484 89 89 VAL C C 176.18 . . 485 89 89 VAL CA C 62.13 . . 486 89 89 VAL CB C 33.01 . . 487 89 89 VAL N N 122.37 . . 488 90 90 THR H H 8.28 . . 489 90 90 THR HA H 4.38 . . 490 90 90 THR C C 174.4 . . 491 90 90 THR CA C 61.73 . . 492 90 90 THR CB C 69.81 . . 493 90 90 THR N N 117.86 . . 494 91 91 CYS H H 8.43 . . 495 91 91 CYS HA H 4.5 . . 496 91 91 CYS C C 174.08 . . 497 91 91 CYS CA C 58.42 . . 498 91 91 CYS CB C 28.22 . . 499 91 91 CYS N N 121.30 . . 500 92 92 ASP H H 8.45 . . 501 92 92 ASP HA H 4.58 . . 502 92 92 ASP C C 176.37 . . 503 92 92 ASP CA C 54.48 . . 504 92 92 ASP CB C 41.32 . . 505 92 92 ASP N N 123.04 . . 506 93 93 GLU H H 8.42 . . 507 93 93 GLU C C 176.76 . . 508 93 93 GLU CA C 57.03 . . 509 93 93 GLU CB C 30 . . 510 93 93 GLU N N 121.96 . . 511 94 94 ARG H H 8.32 . . 512 94 94 ARG HA H 4.26 . . 513 94 94 ARG C C 176.65 . . 514 94 94 ARG CA C 56.55 . . 515 94 94 ARG CB C 30.82 . . 516 94 94 ARG N N 121.19 . . 517 95 95 GLU H H 8.36 . . 518 95 95 GLU HA H 4.22 . . 519 95 95 GLU C C 176.99 . . 520 95 95 GLU CA C 56.87 . . 521 95 95 GLU CB C 29.96 . . 522 95 95 GLU N N 121.04 . . 523 96 96 GLY H H 8.35 . . 524 96 96 GLY C C 173.89 . . 525 96 96 GLY CA C 45.4 . . 526 96 96 GLY N N 109.39 . . 527 97 97 ASN H H 8.25 . . 528 97 97 ASN HA H 4.71 . . 529 97 97 ASN C C 175.06 . . 530 97 97 ASN CA C 53.13 . . 531 97 97 ASN CB C 38.99 . . 532 97 97 ASN N N 118.59 . . 533 98 98 ILE H H 8.12 . . 534 98 98 ILE C C 176.27 . . 535 98 98 ILE CA C 61.08 . . 536 98 98 ILE CB C 38.85 . . 537 98 98 ILE N N 120.80 . . 538 100 100 PRO HA H 4.37 . . 539 100 100 PRO CA C 63.4 . . 540 101 101 MET H H 8.40 . . 541 101 101 MET C C 176.22 . . 542 101 101 MET CA C 55.76 . . 543 101 101 MET CB C 32.88 . . 544 101 101 MET N N 120.29 . . 545 102 102 ALA H H 8.28 . . 546 102 102 ALA C C 177.81 . . 547 102 102 ALA CA C 52.82 . . 548 102 102 ALA CB C 19.17 . . 549 102 102 ALA N N 124.74 . . 550 103 103 SER H H 8.20 . . 551 103 103 SER HA H 4.41 . . 552 103 103 SER C C 174.62 . . 553 103 103 SER CA C 58.44 . . 554 103 103 SER CB C 63.63 . . 555 103 103 SER N N 114.58 . . 556 104 104 VAL H H 7.98 . . 557 104 104 VAL C C 175.91 . . 558 104 104 VAL CA C 62.47 . . 559 104 104 VAL CB C 32.67 . . 560 104 104 VAL N N 121.34 . . 561 105 105 ARG H H 8.18 . . 562 105 105 ARG C C 175.61 . . 563 105 105 ARG CA C 56.13 . . 564 105 105 ARG CB C 30.96 . . 565 105 105 ARG N N 123.66 . . 566 106 106 PHE H H 8.10 . . 567 106 106 PHE CA C 57.51 . . 568 106 106 PHE CB C 39.97 . . 569 106 106 PHE N N 120.69 . . 570 107 107 PHE C C 174.99 . . 571 107 107 PHE CA C 57.79 . . 572 107 107 PHE CB C 40.09 . . 573 108 108 ARG H H 8.11 . . 574 108 108 ARG C C 175.43 . . 575 108 108 ARG CA C 55.74 . . 576 108 108 ARG CB C 31 . . 577 108 108 ARG N N 123.36 . . 578 109 109 ALA H H 8.29 . . 579 109 109 ALA C C 177.74 . . 580 109 109 ALA CA C 52.83 . . 581 109 109 ALA CB C 19.27 . . 582 109 109 ALA N N 125.80 . . 583 110 110 GLU H H 8.50 . . 584 110 110 GLU HA H 4.22 . . 585 110 110 GLU C C 176.34 . . 586 110 110 GLU CA C 56.64 . . 587 110 110 GLU CB C 30.13 . . 588 110 110 GLU N N 119.54 . . 589 111 111 LEU H H 8.17 . . 590 111 111 LEU HA H 4.31 . . 591 111 111 LEU C C 176.96 . . 592 111 111 LEU CA C 55.03 . . 593 111 111 LEU CB C 42.42 . . 594 111 111 LEU N N 122.60 . . 595 112 112 CYS H H 8.28 . . 596 112 112 CYS C C 172.5 . . 597 112 112 CYS CA C 56.44 . . 598 112 112 CYS CB C 27.58 . . 599 112 112 CYS N N 121.27 . . 600 113 113 PRO HA H 4.36 . . 601 113 113 PRO C C 176.49 . . 602 113 113 PRO CA C 63.33 . . 603 113 113 PRO CB C 32.17 . . 604 114 114 ALA H H 8.35 . . 605 114 114 ALA HA H 4.28 . . 606 114 114 ALA C C 177.89 . . 607 114 114 ALA CA C 52.5 . . 608 114 114 ALA CB C 19.17 . . 609 114 114 ALA N N 124.21 . . 610 115 115 VAL H H 8.09 . . 611 115 115 VAL HA H 4.05 . . 612 115 115 VAL C C 176.14 . . 613 115 115 VAL CA C 62.32 . . 614 115 115 VAL CB C 32.81 . . 615 115 115 VAL N N 119.47 . . 616 116 116 GLN H H 8.43 . . 617 116 116 GLN HA H 4.32 . . 618 116 116 GLN C C 175.88 . . 619 116 116 GLN CA C 55.71 . . 620 116 116 GLN CB C 29.6 . . 621 116 116 GLN N N 124.19 . . 622 117 117 GLU H H 8.53 . . 623 117 117 GLU HA H 4.31 . . 624 117 117 GLU C C 176.59 . . 625 117 117 GLU CA C 56.73 . . 626 117 117 GLU CB C 30.4 . . 627 117 117 GLU N N 123.13 . . 628 118 118 THR H H 8.22 . . 629 118 118 THR HA H 4.34 . . 630 118 118 THR C C 174.33 . . 631 118 118 THR CA C 61.58 . . 632 118 118 THR CB C 70.13 . . 633 118 118 THR N N 115.31 . . 634 119 119 ALA H H 8.42 . . 635 119 119 ALA HA H 4.28 . . 636 119 119 ALA C C 177.89 . . 637 119 119 ALA CA C 52.86 . . 638 119 119 ALA CB C 19.13 . . 639 119 119 ALA N N 126.33 . . 640 120 120 GLU H H 8.41 . . 641 120 120 GLU HA H 4.27 . . 642 120 120 GLU C C 176.92 . . 643 120 120 GLU CA C 56.89 . . 644 120 120 GLU CB C 30.24 . . 645 120 120 GLU N N 119.77 . . 646 121 121 THR H H 8.15 . . 647 121 121 THR C C 174.72 . . 648 121 121 THR CA C 62.01 . . 649 121 121 THR CB C 69.75 . . 650 121 121 THR N N 115.35 . . 651 122 122 ARG H H 8.34 . . 652 122 122 ARG HA H 4.33 . . 653 122 122 ARG C C 176.1 . . 654 122 122 ARG CA C 56.27 . . 655 122 122 ARG CB C 30.96 . . 656 122 122 ARG N N 123.53 . . 657 123 123 ASP H H 8.40 . . 658 123 123 ASP HA H 4.61 . . 659 123 123 ASP C C 176.72 . . 660 123 123 ASP CA C 54.64 . . 661 123 123 ASP CB C 41.05 . . 662 123 123 ASP N N 121.36 . . 663 124 124 THR H H 8.05 . . 664 124 124 THR HA H 4.24 . . 665 124 124 THR C C 174.62 . . 666 124 124 THR CA C 62.18 . . 667 124 124 THR CB C 69.75 . . 668 124 124 THR N N 114.52 . . 669 125 125 ALA H H 8.28 . . 670 125 125 ALA HA H 4.29 . . 671 125 125 ALA C C 178.04 . . 672 125 125 ALA CA C 52.89 . . 673 125 125 ALA CB C 19.1 . . 674 125 125 ALA N N 126.16 . . 675 126 126 ILE H H 7.99 . . 676 126 126 ILE HA H 4.11 . . 677 126 126 ILE C C 176.53 . . 678 126 126 ILE CA C 61.46 . . 679 126 126 ILE CB C 38.72 . . 680 126 126 ILE N N 119.54 . . 681 127 127 SER H H 8.27 . . 682 127 127 SER HA H 4.42 . . 683 127 127 SER C C 174.6 . . 684 127 127 SER CA C 58.32 . . 685 127 127 SER CB C 63.73 . . 686 127 127 SER N N 119.38 . . 687 128 128 LEU H H 8.25 . . 688 128 128 LEU HA H 4.33 . . 689 128 128 LEU C C 177.25 . . 690 128 128 LEU CA C 55.24 . . 691 128 128 LEU CB C 42.28 . . 692 128 128 LEU N N 124.44 . . 693 129 129 GLN H H 8.19 . . 694 129 129 GLN HA H 4.28 . . 695 129 129 GLN C C 175.22 . . 696 129 129 GLN CA C 55.45 . . 697 129 129 GLN CB C 29.61 . . 698 129 129 GLN N N 120.72 . . 699 130 130 ALA H H 8.26 . . 700 130 130 ALA C C 174.93 . . 701 130 130 ALA CA C 50.49 . . 702 130 130 ALA CB C 18.09 . . 703 130 130 ALA N N 126.93 . . 704 132 132 PRO HA H 4.43 . . 705 132 132 PRO CA C 63.13 . . 706 133 133 SER H H 8.45 . . 707 133 133 SER HA H 4.47 . . 708 133 133 SER C C 175.1 . . 709 133 133 SER CA C 58.41 . . 710 133 133 SER CB C 63.83 . . 711 133 133 SER N N 115.98 . . 712 134 134 THR H H 8.22 . . 713 134 134 THR HA H 4.42 . . 714 134 134 THR C C 174.84 . . 715 134 134 THR CA C 61.95 . . 716 134 134 THR CB C 69.77 . . 717 134 134 THR N N 115.51 . . 718 135 135 THR H H 8.14 . . 719 135 135 THR HA H 4.31 . . 720 135 135 THR C C 174.66 . . 721 135 135 THR CA C 62.14 . . 722 135 135 THR CB C 69.67 . . 723 135 135 THR N N 115.99 . . 724 136 136 MET H H 8.33 . . 725 136 136 MET HA H 4.43 . . 726 136 136 MET C C 176.15 . . 727 136 136 MET CA C 55.73 . . 728 136 136 MET CB C 32.81 . . 729 136 136 MET N N 122.74 . . 730 137 137 GLU H H 8.39 . . 731 137 137 GLU HA H 4.23 . . 732 137 137 GLU C C 176.43 . . 733 137 137 GLU CA C 56.65 . . 734 137 137 GLU CB C 30.18 . . 735 137 137 GLU N N 122.31 . . 736 138 138 LEU H H 8.24 . . 737 138 138 LEU HA H 4.32 . . 738 138 138 LEU C C 177.37 . . 739 138 138 LEU CA C 55.09 . . 740 138 138 LEU CB C 42.47 . . 741 138 138 LEU N N 123.19 . . 742 139 139 SER H H 8.18 . . 743 139 139 SER HA H 4.34 . . 744 139 139 SER C C 173.84 . . 745 139 139 SER CA C 58.41 . . 746 139 139 SER CB C 63.84 . . 747 139 139 SER N N 115.97 . . 748 140 140 HIS H H 8.26 . . 749 140 140 HIS C C 171.93 . . 750 140 140 HIS CA C 53.35 . . 751 140 140 HIS CB C 28.83 . . 752 140 140 HIS N N 120.13 . . 753 142 142 PRO HA H 4.46 . . 754 142 142 PRO CA C 62.99 . . 755 143 143 ILE H H 8.22 . . 756 143 143 ILE HA H 4.09 . . 757 143 143 ILE C C 176.1 . . 758 143 143 ILE CA C 61.18 . . 759 143 143 ILE CB C 38.93 . . 760 143 143 ILE N N 120.87 . . 761 144 144 SER H H 8.21 . . 762 144 144 SER HA H 4.41 . . 763 144 144 SER C C 173.98 . . 764 144 144 SER CA C 57.75 . . 765 144 144 SER CB C 64.04 . . 766 144 144 SER N N 119.29 . . 767 145 145 PHE H H 8.34 . . 768 145 145 PHE HA H 4.6 . . 769 145 145 PHE C C 176.12 . . 770 145 145 PHE CA C 58.02 . . 771 145 145 PHE CB C 39.65 . . 772 145 145 PHE N N 122.78 . . 773 146 146 GLY H H 8.29 . . 774 146 146 GLY HA2 H 3.83 . . 775 146 146 GLY HA3 H 3.83 . . 776 146 146 GLY C C 173.22 . . 777 146 146 GLY CA C 44.84 . . 778 146 146 GLY N N 110.69 . . 779 147 147 ALA H H 8.09 . . 780 147 147 ALA C C 175.72 . . 781 147 147 ALA CA C 50.52 . . 782 147 147 ALA CB C 18.22 . . 783 147 147 ALA N N 124.90 . . 784 148 148 PRO HA H 4.42 . . 785 148 148 PRO C C 177.09 . . 786 148 148 PRO CA C 63.36 . . 787 148 148 PRO CB C 32 . . 788 149 149 SER H H 8.34 . . 789 149 149 SER HA H 4.35 . . 790 149 149 SER C C 174.65 . . 791 149 149 SER CA C 58.48 . . 792 149 149 SER CB C 63.84 . . 793 149 149 SER N N 115.66 . . 794 150 150 GLU H H 8.40 . . 795 150 150 GLU HA H 4.29 . . 796 150 150 GLU C C 176.23 . . 797 150 150 GLU CA C 56.63 . . 798 150 150 GLU CB C 30.35 . . 799 150 150 GLU N N 122.53 . . 800 151 151 THR H H 8.03 . . 801 151 151 THR HA H 4.22 . . 802 151 151 THR C C 173.73 . . 803 151 151 THR CA C 61.71 . . 804 151 151 THR CB C 69.96 . . 805 151 151 THR N N 114.68 . . 806 152 152 PHE H H 8.19 . . 807 152 152 PHE C C 173.65 . . 808 152 152 PHE CA C 55.67 . . 809 152 152 PHE CB C 39.14 . . 810 152 152 PHE N N 123.36 . . 811 153 153 PRO HA H 4.42 . . 812 153 153 PRO C C 176.62 . . 813 153 153 PRO CA C 63.11 . . 814 153 153 PRO CB C 31.98 . . 815 154 154 ILE H H 8.20 . . 816 154 154 ILE HA H 4.16 . . 817 154 154 ILE C C 176.28 . . 818 154 154 ILE CA C 61.21 . . 819 154 154 ILE CB C 38.82 . . 820 154 154 ILE N N 120.98 . . 821 155 155 THR H H 8.05 . . 822 155 155 THR HA H 4.34 . . 823 155 155 THR C C 173.86 . . 824 155 155 THR CA C 61.19 . . 825 155 155 THR CB C 70.08 . . 826 155 155 THR N N 117.69 . . 827 156 156 PHE H H 8.33 . . 828 156 156 PHE C C 176.04 . . 829 156 156 PHE CA C 57.91 . . 830 156 156 PHE CB C 39.8 . . 831 156 156 PHE N N 122.51 . . 832 157 157 GLY H H 8.29 . . 833 157 157 GLY HA2 H 3.83 . . 834 157 157 GLY HA3 H 3.83 . . 835 157 157 GLY C C 173.43 . . 836 157 157 GLY CA C 45.05 . . 837 157 157 GLY N N 110.46 . . 838 158 158 ASP H H 8.10 . . 839 158 158 ASP HA H 4.54 . . 840 158 158 ASP C C 175.84 . . 841 158 158 ASP CA C 54.26 . . 842 158 158 ASP CB C 41.12 . . 843 158 158 ASP N N 120.29 . . 844 159 159 PHE H H 8.13 . . 845 159 159 PHE HA H 4.6 . . 846 159 159 PHE C C 175.3 . . 847 159 159 PHE CA C 57.51 . . 848 159 159 PHE CB C 39.81 . . 849 159 159 PHE N N 119.98 . . 850 160 160 ASP H H 8.34 . . 851 160 160 ASP HA H 4.58 . . 852 160 160 ASP C C 176.16 . . 853 160 160 ASP CA C 54.07 . . 854 160 160 ASP CB C 41.53 . . 855 160 160 ASP N N 122.38 . . 856 161 161 GLU H H 8.44 . . 857 161 161 GLU HA H 4.17 . . 858 161 161 GLU C C 177.13 . . 859 161 161 GLU CA C 57.23 . . 860 161 161 GLU CB C 29.89 . . 861 161 161 GLU N N 122.20 . . 862 162 162 GLY H H 8.43 . . 863 162 162 GLY C C 174.31 . . 864 162 162 GLY CA C 45.42 . . 865 162 162 GLY N N 109.16 . . 866 163 163 GLU H H 8.15 . . 867 163 163 GLU HA H 4.27 . . 868 163 163 GLU C C 176.81 . . 869 163 163 GLU CA C 56.6 . . 870 163 163 GLU CB C 30.2 . . 871 163 163 GLU N N 120.66 . . 872 164 164 ILE H H 8.14 . . 873 164 164 ILE HA H 4.06 . . 874 164 164 ILE C C 176.69 . . 875 164 164 ILE CA C 61.58 . . 876 164 164 ILE CB C 38.57 . . 877 164 164 ILE N N 121.62 . . 878 165 165 GLU H H 8.49 . . 879 165 165 GLU C C 176.73 . . 880 165 165 GLU CA C 57.1 . . 881 165 165 GLU CB C 30.06 . . 882 165 165 GLU N N 124.74 . . 883 166 166 SER H H 8.29 . . 884 166 166 SER HA H 4.4 . . 885 166 166 SER C C 174.75 . . 886 166 166 SER CA C 58.61 . . 887 166 166 SER CB C 63.67 . . 888 166 166 SER N N 116.93 . . 889 167 167 LEU H H 8.24 . . 890 167 167 LEU HA H 4.36 . . 891 167 167 LEU C C 177.68 . . 892 167 167 LEU CA C 55.44 . . 893 167 167 LEU CB C 42.42 . . 894 167 167 LEU N N 124.13 . . 895 168 168 SER H H 8.25 . . 896 168 168 SER HA H 4.41 . . 897 168 168 SER C C 175.08 . . 898 168 168 SER CA C 58.64 . . 899 168 168 SER CB C 63.7 . . 900 168 168 SER N N 116.13 . . 901 169 169 SER H H 8.31 . . 902 169 169 SER HA H 4.37 . . 903 169 169 SER C C 174.98 . . 904 169 169 SER CA C 59.07 . . 905 169 169 SER N N 117.91 . . 906 170 170 GLU H H 8.39 . . 907 170 170 GLU HA H 4.23 . . 908 170 170 GLU C C 176.55 . . 909 170 170 GLU CA C 57.04 . . 910 170 170 GLU CB C 30 . . 911 170 170 GLU N N 122.47 . . 912 171 171 LEU H H 8.06 . . 913 171 171 LEU HA H 4.28 . . 914 171 171 LEU C C 177.31 . . 915 171 171 LEU CA C 55.35 . . 916 171 171 LEU CB C 42.15 . . 917 171 171 LEU N N 121.88 . . 918 172 172 LEU H H 8.05 . . 919 172 172 LEU HA H 4.35 . . 920 172 172 LEU C C 177.29 . . 921 172 172 LEU CA C 55.17 . . 922 172 172 LEU CB C 42.41 . . 923 172 172 LEU N N 122.26 . . 924 173 173 THR H H 7.93 . . 925 173 173 THR HA H 4.28 . . 926 173 173 THR C C 174.15 . . 927 173 173 THR CA C 61.59 . . 928 173 173 THR CB C 69.94 . . 929 173 173 THR N N 113.88 . . 930 174 174 PHE H H 8.20 . . 931 174 174 PHE HA H 4.61 . . 932 174 174 PHE C C 176.15 . . 933 174 174 PHE CA C 58.01 . . 934 174 174 PHE CB C 39.8 . . 935 174 174 PHE N N 121.85 . . 936 175 175 GLY H H 8.22 . . 937 175 175 GLY HA2 H 3.83 . . 938 175 175 GLY HA3 H 3.83 . . 939 175 175 GLY C C 173.48 . . 940 175 175 GLY CA C 45.19 . . 941 175 175 GLY N N 109.98 . . 942 176 176 ASP H H 8.08 . . 943 176 176 ASP HA H 4.54 . . 944 176 176 ASP C C 175.6 . . 945 176 176 ASP CA C 54.22 . . 946 176 176 ASP CB C 41.13 . . 947 176 176 ASP N N 120.24 . . 948 177 177 PHE H H 8.03 . . 949 177 177 PHE C C 175.15 . . 950 177 177 PHE CA C 57.37 . . 951 177 177 PHE CB C 39.81 . . 952 177 177 PHE N N 119.66 . . 953 178 178 LEU H H 8.28 . . 954 178 178 LEU C C 174.86 . . 955 178 178 LEU CA C 52.66 . . 956 178 178 LEU CB C 41.9 . . 957 178 178 LEU N N 125.64 . . 958 179 179 PRO HA H 4.31 . . 959 179 179 PRO C C 177.51 . . 960 179 179 PRO CA C 63.51 . . 961 179 179 PRO CB C 32 . . 962 180 180 GLY H H 8.42 . . 963 180 180 GLY C C 174.14 . . 964 180 180 GLY CA C 45.18 . . 965 180 180 GLY N N 109.17 . . 966 181 181 GLU H H 8.18 . . 967 181 181 GLU HA H 4.3 . . 968 181 181 GLU C C 176.62 . . 969 181 181 GLU CA C 56.53 . . 970 181 181 GLU CB C 30.41 . . 971 181 181 GLU N N 120.50 . . 972 182 182 VAL H H 8.15 . . 973 182 182 VAL HA H 4.1 . . 974 182 182 VAL C C 175.78 . . 975 182 182 VAL CA C 62.06 . . 976 182 182 VAL CB C 33.22 . . 977 182 182 VAL N N 119.85 . . 978 183 183 ASP H H 8.32 . . 979 183 183 ASP C C 175.77 . . 980 183 183 ASP CA C 54.33 . . 981 183 183 ASP CB C 41.32 . . 982 183 183 ASP N N 123.85 . . 983 184 184 ASP H H 8.27 . . 984 184 184 ASP C C 176.33 . . 985 184 184 ASP CA C 54.26 . . 986 184 184 ASP CB C 41.05 . . 987 184 184 ASP N N 120.85 . . 988 185 185 LEU H H 8.27 . . 989 185 185 LEU HA H 4.36 . . 990 185 185 LEU C C 177.89 . . 991 185 185 LEU CA C 55.33 . . 992 185 185 LEU CB C 42.01 . . 993 185 185 LEU N N 122.42 . . 994 186 186 THR H H 8.19 . . 995 186 186 THR C C 174.54 . . 996 186 186 THR CA C 62.44 . . 997 186 186 THR CB C 69.94 . . 998 186 186 THR N N 114.64 . . 999 187 187 ASP H H 8.31 . . 1000 187 187 ASP HA H 4.59 . . 1001 187 187 ASP C C 176.34 . . 1002 187 187 ASP CA C 54.46 . . 1003 187 187 ASP CB C 41.07 . . 1004 187 187 ASP N N 122.48 . . 1005 188 188 SER H H 8.14 . . 1006 188 188 SER C C 174.28 . . 1007 188 188 SER CA C 58.6 . . 1008 188 188 SER CB C 63.84 . . 1009 188 188 SER N N 115.96 . . 1010 189 189 ASP H H 8.30 . . 1011 189 189 ASP HA H 4.56 . . 1012 189 189 ASP C C 176.18 . . 1013 189 189 ASP CA C 54.43 . . 1014 189 189 ASP CB C 40.96 . . 1015 189 189 ASP N N 121.96 . . 1016 190 190 TRP H H 7.99 . . 1017 190 190 TRP HA H 4.63 . . 1018 190 190 TRP C C 176.54 . . 1019 190 190 TRP CA C 57.35 . . 1020 190 190 TRP CB C 29.31 . . 1021 190 190 TRP N N 121.36 . . 1022 191 191 SER H H 8.07 . . 1023 191 191 SER HA H 4.32 . . 1024 191 191 SER C C 174.66 . . 1025 191 191 SER CA C 58.83 . . 1026 191 191 SER CB C 63.89 . . 1027 191 191 SER N N 116.69 . . 1028 192 192 THR H H 7.98 . . 1029 192 192 THR C C 174.15 . . 1030 192 192 THR CA C 61.76 . . 1031 192 192 THR CB C 69.79 . . 1032 192 192 THR N N 115.06 . . 1033 193 193 CYS H H 8.28 . . 1034 193 193 CYS C C 172.72 . . 1035 193 193 CYS CA C 56.54 . . 1036 193 193 CYS CB C 27.49 . . 1037 193 193 CYS N N 123.10 . . 1038 194 194 PRO C C 176.53 . . 1039 194 194 PRO CA C 63.36 . . 1040 194 194 PRO CB C 32.17 . . 1041 195 195 ASP H H 8.33 . . 1042 195 195 ASP HA H 4.6 . . 1043 195 195 ASP C C 176.43 . . 1044 195 195 ASP CA C 54.48 . . 1045 195 195 ASP CB C 41.05 . . 1046 195 195 ASP N N 120.41 . . 1047 196 196 THR H H 8.01 . . 1048 196 196 THR HA H 4.31 . . 1049 196 196 THR C C 174.4 . . 1050 196 196 THR CA C 61.73 . . 1051 196 196 THR CB C 70.01 . . 1052 196 196 THR N N 113.43 . . 1053 197 197 ASP H H 8.35 . . 1054 197 197 ASP HA H 4.6 . . 1055 197 197 ASP C C 176.19 . . 1056 197 197 ASP CA C 54.59 . . 1057 197 197 ASP CB C 41.14 . . 1058 197 197 ASP N N 122.41 . . 1059 198 198 ASP H H 8.24 . . 1060 198 198 ASP HA H 4.54 . . 1061 198 198 ASP C C 176.65 . . 1062 198 198 ASP CA C 54.59 . . 1063 198 198 ASP CB C 41.18 . . 1064 198 198 ASP N N 120.86 . . 1065 199 199 GLU H H 8.40 . . 1066 199 199 GLU HA H 4.18 . . 1067 199 199 GLU C C 177.05 . . 1068 199 199 GLU CA C 57.24 . . 1069 199 199 GLU CB C 29.93 . . 1070 199 199 GLU N N 121.00 . . 1071 200 200 LEU H H 8.20 . . 1072 200 200 LEU HA H 4.24 . . 1073 200 200 LEU C C 178.28 . . 1074 200 200 LEU CA C 55.65 . . 1075 200 200 LEU CB C 41.98 . . 1076 200 200 LEU N N 121.52 . . 1077 201 201 GLY H H 8.17 . . 1078 201 201 GLY HA2 H 3.78 . . 1079 201 201 GLY HA3 H 3.78 . . 1080 201 201 GLY C C 174.59 . . 1081 201 201 GLY CA C 45.43 . . 1082 201 201 GLY N N 108.78 . . 1083 202 202 SER H H 8.11 . . 1084 202 202 SER HA H 4.28 . . 1085 202 202 SER C C 174.6 . . 1086 202 202 SER CA C 58.82 . . 1087 202 202 SER CB C 63.63 . . 1088 202 202 SER N N 115.79 . . 1089 203 203 TRP H H 8.01 . . 1090 203 203 TRP HA H 4.6 . . 1091 203 203 TRP C C 176.27 . . 1092 203 203 TRP CA C 57.41 . . 1093 203 203 TRP CB C 29.16 . . 1094 203 203 TRP N N 122.00 . . 1095 204 204 SER H H 7.89 . . 1096 204 204 SER HA H 4.24 . . 1097 204 204 SER C C 173.68 . . 1098 204 204 SER CA C 58.32 . . 1099 204 204 SER CB C 63.63 . . 1100 204 204 SER N N 116.28 . . 1101 205 205 HIS H H 8.07 . . 1102 205 205 HIS C C 172.29 . . 1103 205 205 HIS CA C 53.56 . . 1104 205 205 HIS CB C 28.76 . . 1105 205 205 HIS N N 120.39 . . 1106 206 206 PRO HA H 4.32 . . 1107 206 206 PRO C C 176.89 . . 1108 206 206 PRO CA C 63.45 . . 1109 206 206 PRO CB C 32.12 . . 1110 207 207 GLN H H 8.56 . . 1111 207 207 GLN HA H 4.19 . . 1112 207 207 GLN C C 175.78 . . 1113 207 207 GLN CA C 56.03 . . 1114 207 207 GLN CB C 29.34 . . 1115 207 207 GLN N N 120.55 . . 1116 208 208 PHE H H 8.15 . . 1117 208 208 PHE HA H 4.62 . . 1118 208 208 PHE C C 175.69 . . 1119 208 208 PHE CA C 57.45 . . 1120 208 208 PHE CB C 39.74 . . 1121 208 208 PHE N N 120.48 . . 1122 209 209 GLU H H 8.34 . . 1123 209 209 GLU HA H 4.23 . . 1124 209 209 GLU C C 176.33 . . 1125 209 209 GLU CA C 56.44 . . 1126 209 209 GLU CB C 30.36 . . 1127 209 209 GLU N N 122.38 . . 1128 210 210 LYS H H 8.38 . . 1129 210 210 LYS HA H 4.23 . . 1130 210 210 LYS C C 177.28 . . 1131 210 210 LYS CA C 56.7 . . 1132 210 210 LYS CB C 32.93 . . 1133 210 210 LYS N N 122.70 . . 1134 211 211 GLY H H 8.46 . . 1135 211 211 GLY C C 174.83 . . 1136 211 211 GLY CA C 45.34 . . 1137 211 211 GLY N N 110.17 . . 1138 213 213 GLY H H 8.32 . . 1139 213 213 GLY HA2 H 3.95 . . 1140 213 213 GLY HA3 H 3.95 . . 1141 213 213 GLY C C 174.55 . . 1142 213 213 GLY CA C 45.13 . . 1143 213 213 GLY N N 108.78 . . 1144 214 214 SER H H 8.33 . . 1145 214 214 SER HA H 4.43 . . 1146 214 214 SER C C 175.36 . . 1147 214 214 SER CA C 58.55 . . 1148 214 214 SER CB C 63.81 . . 1149 214 214 SER N N 115.66 . . 1150 215 215 GLY H H 8.50 . . 1151 215 215 GLY C C 174.87 . . 1152 215 215 GLY CA C 45.5 . . 1153 215 215 GLY N N 110.90 . . 1154 221 221 GLY H H 8.19 . . 1155 221 221 GLY HA2 H 3.82 . . 1156 221 221 GLY HA3 H 3.82 . . 1157 221 221 GLY C C 174.31 . . 1158 221 221 GLY CA C 45.05 . . 1159 221 221 GLY N N 108.56 . . 1160 222 222 SER H H 8.16 . . 1161 222 222 SER HA H 4.35 . . 1162 222 222 SER C C 174.36 . . 1163 222 222 SER CA C 58.43 . . 1164 222 222 SER CB C 63.7 . . 1165 222 222 SER N N 115.70 . . 1166 223 223 TRP H H 8.07 . . 1167 223 223 TRP HA H 4.64 . . 1168 223 223 TRP C C 176.16 . . 1169 223 223 TRP CA C 57.25 . . 1170 223 223 TRP CB C 29.39 . . 1171 223 223 TRP N N 122.36 . . 1172 224 224 SER H H 7.96 . . 1173 224 224 SER HA H 4.27 . . 1174 224 224 SER C C 173.54 . . 1175 224 224 SER CA C 58.19 . . 1176 224 224 SER CB C 63.77 . . 1177 224 224 SER N N 116.82 . . 1178 225 225 HIS H H 8.12 . . 1179 225 225 HIS C C 172.36 . . 1180 225 225 HIS CA C 53.53 . . 1181 225 225 HIS CB C 28.85 . . 1182 225 225 HIS N N 120.64 . . 1183 226 226 PRO HA H 4.32 . . 1184 226 226 PRO C C 176.76 . . 1185 226 226 PRO CA C 63.35 . . 1186 226 226 PRO CB C 32.12 . . 1187 227 227 GLN H H 8.53 . . 1188 227 227 GLN HA H 4.19 . . 1189 227 227 GLN C C 175.59 . . 1190 227 227 GLN CA C 55.97 . . 1191 227 227 GLN CB C 29.48 . . 1192 227 227 GLN N N 120.75 . . 1193 228 228 PHE H H 8.17 . . 1194 228 228 PHE HA H 4.66 . . 1195 228 228 PHE C C 175.46 . . 1196 228 228 PHE CA C 57.39 . . 1197 228 228 PHE CB C 39.67 . . 1198 228 228 PHE N N 120.48 . . 1199 229 229 GLU H H 8.31 . . 1200 229 229 GLU HA H 4.25 . . 1201 229 229 GLU C C 175.18 . . 1202 229 229 GLU CA C 56.49 . . 1203 229 229 GLU CB C 30.64 . . 1204 229 229 GLU N N 122.75 . . 1205 230 230 LYS H H 7.91 . . 1206 230 230 LYS C C 173.2 . . 1207 230 230 LYS CA C 57.74 . . 1208 230 230 LYS CB C 33.64 . . 1209 230 230 LYS N N 127.29 . . stop_ save_