data_25705 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Backbone assignment of the N-terminal domain of human respiratory syncytial virus nucleoprotein ; _BMRB_accession_number 25705 _BMRB_flat_file_name bmr25705.str _Entry_type original _Submission_date 2015-07-14 _Accession_date 2015-07-14 _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 Pereira Nelson . . 2 Galloux Marie . . 3 Eleouet Jean-Francois . . 4 Sizun Christina . . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 212 "13C chemical shifts" 637 "15N chemical shifts" 212 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2017-08-16 original BMRB . stop_ _Original_release_date 2015-07-14 save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full . _Citation_title ; A Druggable Pocket at the Nucleocapsid/Phosphoprotein Interaction Site of Human Respiratory Syncytial Virus ; _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 26246564 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Ouizougun-Oubari Mohamed . . 2 Pereira Nelson . . 3 Tarus Bogdan . . 4 Galloux Marie . . 5 Lassoued Safa . . 6 Fix Jenna . . 7 Tortorici 'M Alejandra' A. . 8 Hoos Sylviane . . 9 Baron Bruno . . 10 England Patrick . . 11 Desmaele Didier . . 12 Couvreur Patrick . . 13 Bontems Francois . . 14 Rey Felix A. . 15 Eleouet Jean-Francois F. . 16 Sizun Christina . . 17 Slama-Schwok Anny . . 18 Duquerroy Stephane . . stop_ _Journal_abbreviation 'J. Virol.' _Journal_name_full 'Journal of virology' _Journal_volume 89 _Journal_issue 21 _Journal_ISSN 1098-5514 _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 11129 _Page_last 11143 _Year 2015 _Details . loop_ _Keyword 'antiviral compounds' nucleoprotein phosphoprotein 'respiratory syncytial virus' ribonucleoprotein stop_ save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name N-NTD _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label N-NTD $N-NTD stop_ _System_molecular_weight 26238.2629 _System_physical_state native _System_oligomer_state ? _System_paramagnetic no _System_thiol_state 'all free' _Database_query_date . _Details . save_ ######################## # Monomeric polymers # ######################## save_N-NTD _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common Nucleoprotein _Molecular_mass 26238.2629 _Mol_thiol_state 'all free' loop_ _Biological_function 'RNA encapsidation' stop_ _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 233 _Mol_residue_sequence ; MGSDSIDTPNYDVQKHINKL CGMLLITEDANHKFTGLIGM LYAMSRLGREDTIKILRDAG YHVKANGVDVTTHRQDINGK EMKFEVLTLASLTTEIQINI EIESRKSYKKMLKEMGEVAP EYRHDSPDCGMIILCIAALV ITKLAAGDRSGLTAVIRRAN NVLKNEMKRYKGLLPKDIAN SFYEVFEKHPHFIDVFVHFG IAQSSTRGGSRVEGIFAGLF MNAYGLEHHHHHH ; loop_ _Residue_seq_code _Residue_author_seq_code _Residue_label 1 1 MET 2 2 GLY 3 3 SER 4 4 ASP 5 5 SER 6 6 ILE 7 7 ASP 8 8 THR 9 9 PRO 10 10 ASN 11 11 TYR 12 12 ASP 13 13 VAL 14 14 GLN 15 15 LYS 16 16 HIS 17 17 ILE 18 18 ASN 19 19 LYS 20 20 LEU 21 21 CYS 22 22 GLY 23 23 MET 24 24 LEU 25 25 LEU 26 26 ILE 27 27 THR 28 28 GLU 29 29 ASP 30 30 ALA 31 31 ASN 32 32 HIS 33 33 LYS 34 34 PHE 35 35 THR 36 36 GLY 37 37 LEU 38 38 ILE 39 39 GLY 40 40 MET 41 41 LEU 42 42 TYR 43 43 ALA 44 44 MET 45 45 SER 46 46 ARG 47 47 LEU 48 48 GLY 49 49 ARG 50 50 GLU 51 51 ASP 52 52 THR 53 53 ILE 54 54 LYS 55 55 ILE 56 56 LEU 57 57 ARG 58 58 ASP 59 59 ALA 60 60 GLY 61 61 TYR 62 62 HIS 63 63 VAL 64 64 LYS 65 65 ALA 66 66 ASN 67 67 GLY 68 68 VAL 69 69 ASP 70 70 VAL 71 71 THR 72 72 THR 73 73 HIS 74 74 ARG 75 75 GLN 76 76 ASP 77 77 ILE 78 78 ASN 79 79 GLY 80 80 LYS 81 81 GLU 82 82 MET 83 83 LYS 84 84 PHE 85 85 GLU 86 86 VAL 87 87 LEU 88 88 THR 89 89 LEU 90 90 ALA 91 91 SER 92 92 LEU 93 93 THR 94 94 THR 95 95 GLU 96 96 ILE 97 97 GLN 98 98 ILE 99 99 ASN 100 100 ILE 101 101 GLU 102 102 ILE 103 103 GLU 104 104 SER 105 105 ARG 106 106 LYS 107 107 SER 108 108 TYR 109 109 LYS 110 110 LYS 111 111 MET 112 112 LEU 113 113 LYS 114 114 GLU 115 115 MET 116 116 GLY 117 117 GLU 118 118 VAL 119 119 ALA 120 120 PRO 121 121 GLU 122 122 TYR 123 123 ARG 124 124 HIS 125 125 ASP 126 126 SER 127 127 PRO 128 128 ASP 129 129 CYS 130 130 GLY 131 131 MET 132 132 ILE 133 133 ILE 134 134 LEU 135 135 CYS 136 136 ILE 137 137 ALA 138 138 ALA 139 139 LEU 140 140 VAL 141 141 ILE 142 142 THR 143 143 LYS 144 144 LEU 145 145 ALA 146 146 ALA 147 147 GLY 148 148 ASP 149 149 ARG 150 150 SER 151 151 GLY 152 152 LEU 153 153 THR 154 154 ALA 155 155 VAL 156 156 ILE 157 157 ARG 158 158 ARG 159 159 ALA 160 160 ASN 161 161 ASN 162 162 VAL 163 163 LEU 164 164 LYS 165 165 ASN 166 166 GLU 167 167 MET 168 168 LYS 169 169 ARG 170 170 TYR 171 171 LYS 172 172 GLY 173 173 LEU 174 174 LEU 175 175 PRO 176 176 LYS 177 177 ASP 178 178 ILE 179 179 ALA 180 180 ASN 181 181 SER 182 182 PHE 183 183 TYR 184 184 GLU 185 185 VAL 186 186 PHE 187 187 GLU 188 188 LYS 189 189 HIS 190 190 PRO 191 191 HIS 192 192 PHE 193 193 ILE 194 194 ASP 195 195 VAL 196 196 PHE 197 197 VAL 198 198 HIS 199 199 PHE 200 200 GLY 201 201 ILE 202 202 ALA 203 203 GLN 204 204 SER 205 205 SER 206 206 THR 207 207 ARG 208 208 GLY 209 209 GLY 210 210 SER 211 211 ARG 212 212 VAL 213 213 GLU 214 214 GLY 215 215 ILE 216 216 PHE 217 217 ALA 218 218 GLY 219 219 LEU 220 220 PHE 221 221 MET 222 222 ASN 223 223 ALA 224 224 TYR 225 225 GLY 226 226 LEU 227 227 GLU 228 228 HIS 229 229 HIS 230 230 HIS 231 231 HIS 232 232 HIS 233 233 HIS stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date . loop_ _Database_name _Database_accession_code _Database_entry_mol_name _Sequence_query_to_submitted_percentage _Sequence_subject_length _Sequence_identity _Sequence_positive _Sequence_homology_expectation_value UniProt P03418 P03418 . . . . . stop_ save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species _Strain $N-NTD RSV 11260 Viruses . Pneumovirus 'Human respiratory syncytial virus' LONG 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 $N-NTD 'recombinant technology' 'Escherichia coli' Escherichia coli BL21(DE3) pGex stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_DCN _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $N-NTD 80.0 uM '[U-100% 13C; U-100% 15N; U-70% 2H]' MES 20.0 mM 'natural abundance' NaCl 250.0 mM 'natural abundance' TCEP 1.5 mM 'natural abundance' H2O 93 % 'natural abundance' D2O 7 % 'natural abundance' stop_ save_ ############################ # Computer software used # ############################ save_CcpNmr_Analysis _Saveframe_category software _Name CcpNmr_Analysis _Version 2.2 loop_ _Vendor _Address _Electronic_address CCPN 'Department of Biochemistry, Cambridge CB2 1GA, UK' http://www.ccpn.ac.uk stop_ loop_ _Task Assignment 'Data analysis' stop_ _Details 'The CCPN NMR assignment and data analysis application' save_ save_NmrPipe _Saveframe_category software _Name NmrPipe _Version 1.0 loop_ _Vendor _Address _Electronic_address 'Frank Delaglio' 'NIDDK, Bethesda, Bethesda, MD 20892-2560, USA' http://spin.niddk.nih.gov/http://spin.niddk.nih.gov stop_ loop_ _Task 'Data processing' stop_ _Details 'Processing of NMR data' save_ save_TopSpin _Saveframe_category software _Name TopSpin _Version 3.1 loop_ _Vendor _Address _Electronic_address Bruker 'Bruker France' http://www.bruker.com/products/mr/nmr.html stop_ loop_ _Task 'Data processing' stop_ _Details 'Processing of NMR data' save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model Avance _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 $DCN save_ save_3D_HNCA_2 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCA' _Sample_label $DCN save_ save_3D_HN(CO)CA_3 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HN(CO)CA' _Sample_label $DCN save_ save_3D_HNCO_4 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCO' _Sample_label $DCN save_ save_3D_HNCACB_5 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCACB' _Sample_label $DCN save_ save_3D_HN(CO)CACB_6 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HN(CO)CACB' _Sample_label $DCN save_ ####################### # Sample conditions # ####################### save_Cond1 _Saveframe_category sample_conditions _Details . loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units 'ionic strength' 0.250 . M pH 6.500 . pH pressure 1.000 . atm temperature 293.000 . 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 _Saveframe_category assigned_chemical_shifts _Details . loop_ _Software_label $CcpNmr_Analysis $NmrPipe $TopSpin stop_ loop_ _Experiment_label '2D 1H-15N HSQC' '3D HNCA' '3D HN(CO)CA' '3D HNCO' '3D HNCACB' '3D HN(CO)CACB' stop_ loop_ _Sample_label $DCN stop_ _Sample_conditions_label $Cond1 _Chem_shift_reference_set_label $chemical_shift_reference_1 _Mol_system_component_name N-NTD _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 2 2 GLY C C 173.90 0.25 1 2 2 2 GLY CA C 44.79 0.25 1 3 3 3 SER H H 8.49 0.02 1 4 3 3 SER C C 173.98 0.25 1 5 3 3 SER CA C 57.93 0.25 1 6 3 3 SER CB C 63.32 0.25 1 7 3 3 SER N N 115.83 0.15 1 8 4 4 ASP H H 8.64 0.02 1 9 4 4 ASP C C 175.54 0.25 1 10 4 4 ASP CA C 53.70 0.25 1 11 4 4 ASP CB C 40.38 0.25 1 12 4 4 ASP N N 121.92 0.15 1 13 5 5 SER H H 8.09 0.02 1 14 5 5 SER C C 172.91 0.25 1 15 5 5 SER CA C 57.43 0.25 1 16 5 5 SER CB C 64.26 0.25 1 17 5 5 SER N N 115.49 0.15 1 18 6 6 ILE H H 8.55 0.02 1 19 6 6 ILE C C 173.94 0.25 1 20 6 6 ILE CA C 58.51 0.25 1 21 6 6 ILE CB C 40.35 0.25 1 22 6 6 ILE N N 121.41 0.15 1 23 7 7 ASP H H 8.44 0.02 1 24 7 7 ASP C C 174.67 0.25 1 25 7 7 ASP CA C 54.97 0.25 1 26 7 7 ASP CB C 43.04 0.25 1 27 7 7 ASP N N 126.51 0.15 1 28 8 8 THR H H 8.25 0.02 1 29 8 8 THR CA C 55.22 0.25 1 30 8 8 THR CB C 68.79 0.25 1 31 8 8 THR N N 106.96 0.15 1 32 9 9 PRO C C 173.52 0.25 1 33 9 9 PRO CA C 61.62 0.25 1 34 9 9 PRO CB C 32.60 0.25 1 35 10 10 ASN H H 8.81 0.02 1 36 10 10 ASN C C 175.33 0.25 1 37 10 10 ASN CA C 48.66 0.25 1 38 10 10 ASN CB C 40.20 0.25 1 39 10 10 ASN N N 119.19 0.15 1 40 11 11 TYR H H 6.81 0.02 1 41 11 11 TYR C C 177.83 0.25 1 42 11 11 TYR CA C 58.37 0.25 1 43 11 11 TYR CB C 37.94 0.25 1 44 11 11 TYR N N 114.21 0.15 1 45 12 12 ASP H H 8.55 0.02 1 46 12 12 ASP C C 177.89 0.25 1 47 12 12 ASP CA C 55.41 0.25 1 48 12 12 ASP CB C 38.20 0.25 1 49 12 12 ASP N N 114.26 0.15 1 50 13 13 VAL H H 7.45 0.02 1 51 13 13 VAL C C 175.69 0.25 1 52 13 13 VAL CA C 60.24 0.25 1 53 13 13 VAL CB C 30.33 0.25 1 54 13 13 VAL N N 110.34 0.15 1 55 14 14 GLN H H 7.70 0.02 1 56 14 14 GLN C C 178.09 0.25 1 57 14 14 GLN CA C 58.99 0.25 1 58 14 14 GLN CB C 29.87 0.25 1 59 14 14 GLN N N 123.09 0.15 1 60 15 15 LYS H H 8.73 0.02 1 61 15 15 LYS C C 179.51 0.25 1 62 15 15 LYS CA C 59.36 0.25 1 63 15 15 LYS CB C 30.41 0.25 1 64 15 15 LYS N N 118.31 0.15 1 65 16 16 HIS H H 8.21 0.02 1 66 16 16 HIS C C 178.40 0.25 1 67 16 16 HIS CA C 59.59 0.25 1 68 16 16 HIS CB C 30.00 0.25 1 69 16 16 HIS N N 121.11 0.15 1 70 17 17 ILE H H 8.49 0.02 1 71 17 17 ILE C C 177.93 0.25 1 72 17 17 ILE CA C 65.32 0.25 1 73 17 17 ILE CB C 36.53 0.25 1 74 17 17 ILE N N 118.76 0.15 1 75 18 18 ASN H H 9.02 0.02 1 76 18 18 ASN C C 176.47 0.25 1 77 18 18 ASN CA C 57.88 0.25 1 78 18 18 ASN CB C 38.98 0.25 1 79 18 18 ASN N N 120.67 0.15 1 80 19 19 LYS H H 7.73 0.02 1 81 19 19 LYS C C 177.88 0.25 1 82 19 19 LYS CA C 58.29 0.25 1 83 19 19 LYS CB C 30.95 0.25 1 84 19 19 LYS N N 117.34 0.15 1 85 20 20 LEU H H 7.77 0.02 1 86 20 20 LEU C C 178.45 0.25 1 87 20 20 LEU CA C 58.02 0.25 1 88 20 20 LEU CB C 41.40 0.25 1 89 20 20 LEU N N 122.14 0.15 1 90 21 21 CYS H H 7.75 0.02 1 91 21 21 CYS C C 176.85 0.25 1 92 21 21 CYS CA C 63.73 0.25 1 93 21 21 CYS CB C 25.29 0.25 1 94 21 21 CYS N N 114.30 0.15 1 95 22 22 GLY H H 8.56 0.02 1 96 22 22 GLY C C 175.98 0.25 1 97 22 22 GLY CA C 48.46 0.25 1 98 22 22 GLY N N 107.95 0.15 1 99 23 23 MET H H 8.99 0.02 1 100 23 23 MET C C 178.18 0.25 1 101 23 23 MET CA C 59.83 0.25 1 102 23 23 MET CB C 31.93 0.25 1 103 23 23 MET N N 121.24 0.15 1 104 24 24 LEU H H 7.24 0.02 1 105 24 24 LEU C C 178.53 0.25 1 106 24 24 LEU CA C 57.58 0.25 1 107 24 24 LEU CB C 41.59 0.25 1 108 24 24 LEU N N 119.25 0.15 1 109 25 25 LEU H H 7.61 0.02 1 110 25 25 LEU C C 178.45 0.25 1 111 25 25 LEU CA C 56.98 0.25 1 112 25 25 LEU CB C 39.39 0.25 1 113 25 25 LEU N N 115.01 0.15 1 114 26 26 ILE H H 7.86 0.02 1 115 26 26 ILE C C 176.78 0.25 1 116 26 26 ILE CA C 61.51 0.25 1 117 26 26 ILE CB C 38.29 0.25 1 118 26 26 ILE N N 108.98 0.15 1 119 27 27 THR H H 7.53 0.02 1 120 27 27 THR C C 173.35 0.25 1 121 27 27 THR CA C 62.81 0.25 1 122 27 27 THR CB C 68.10 0.25 1 123 27 27 THR N N 119.87 0.15 1 124 28 28 GLU H H 8.15 0.02 1 125 28 28 GLU CA C 56.93 0.25 1 126 28 28 GLU CB C 28.69 0.25 1 127 28 28 GLU N N 126.71 0.15 1 128 29 29 ASP C C 175.22 0.25 1 129 29 29 ASP CA C 53.54 0.25 1 130 29 29 ASP CB C 38.53 0.25 1 131 30 30 ALA H H 6.92 0.02 1 132 30 30 ALA C C 176.16 0.25 1 133 30 30 ALA CA C 52.47 0.25 1 134 30 30 ALA CB C 18.02 0.25 1 135 30 30 ALA N N 119.08 0.15 1 136 31 31 ASN H H 7.99 0.02 1 137 31 31 ASN CA C 51.67 0.25 1 138 31 31 ASN CB C 36.97 0.25 1 139 31 31 ASN N N 117.98 0.15 1 140 32 32 HIS C C 176.39 0.25 1 141 32 32 HIS CA C 57.49 0.25 1 142 32 32 HIS CB C 29.82 0.25 1 143 33 33 LYS H H 7.83 0.02 1 144 33 33 LYS C C 178.16 0.25 1 145 33 33 LYS CA C 59.14 0.25 1 146 33 33 LYS CB C 31.36 0.25 1 147 33 33 LYS N N 119.51 0.15 1 148 34 34 PHE H H 8.43 0.02 1 149 34 34 PHE C C 175.17 0.25 1 150 34 34 PHE CA C 56.52 0.25 1 151 34 34 PHE CB C 38.12 0.25 1 152 34 34 PHE N N 115.27 0.15 1 153 35 35 THR H H 7.61 0.02 1 154 35 35 THR C C 174.38 0.25 1 155 35 35 THR CA C 67.07 0.25 1 156 35 35 THR N N 119.22 0.15 1 157 36 36 GLY H H 8.85 0.02 1 158 36 36 GLY C C 174.07 0.25 1 159 36 36 GLY CA C 44.09 0.25 1 160 36 36 GLY N N 108.56 0.15 1 161 37 37 LEU H H 7.42 0.02 1 162 37 37 LEU CA C 57.34 0.25 1 163 37 37 LEU CB C 40.56 0.25 1 164 37 37 LEU N N 121.94 0.15 1 165 38 38 ILE C C 177.71 0.25 1 166 38 38 ILE CA C 65.87 0.25 1 167 38 38 ILE CB C 36.98 0.25 1 168 39 39 GLY H H 9.18 0.02 1 169 39 39 GLY C C 175.21 0.25 1 170 39 39 GLY CA C 46.27 0.25 1 171 39 39 GLY N N 106.36 0.15 1 172 40 40 MET H H 7.80 0.02 1 173 40 40 MET C C 179.13 0.25 1 174 40 40 MET CA C 54.75 0.25 1 175 40 40 MET CB C 26.86 0.25 1 176 40 40 MET N N 119.40 0.15 1 177 41 41 LEU H H 8.73 0.02 1 178 41 41 LEU C C 178.78 0.25 1 179 41 41 LEU CA C 57.35 0.25 1 180 41 41 LEU CB C 40.02 0.25 1 181 41 41 LEU N N 120.92 0.15 1 182 42 42 TYR H H 8.44 0.02 1 183 42 42 TYR C C 178.04 0.25 1 184 42 42 TYR CA C 61.28 0.25 1 185 42 42 TYR CB C 36.23 0.25 1 186 42 42 TYR N N 119.81 0.15 1 187 43 43 ALA H H 8.21 0.02 1 188 43 43 ALA C C 179.16 0.25 1 189 43 43 ALA CA C 54.62 0.25 1 190 43 43 ALA CB C 15.56 0.25 1 191 43 43 ALA N N 121.96 0.15 1 192 44 44 MET H H 8.37 0.02 1 193 44 44 MET C C 177.24 0.25 1 194 44 44 MET CA C 59.82 0.25 1 195 44 44 MET CB C 32.39 0.25 1 196 44 44 MET N N 115.50 0.15 1 197 45 45 SER H H 8.12 0.02 1 198 45 45 SER C C 174.51 0.25 1 199 45 45 SER CA C 60.61 0.25 1 200 45 45 SER CB C 62.00 0.25 1 201 45 45 SER N N 116.17 0.15 1 202 46 46 ARG H H 7.06 0.02 1 203 46 46 ARG C C 177.62 0.25 1 204 46 46 ARG CA C 56.47 0.25 1 205 46 46 ARG CB C 28.76 0.25 1 206 46 46 ARG N N 119.46 0.15 1 207 47 47 LEU H H 7.71 0.02 1 208 47 47 LEU C C 179.14 0.25 1 209 47 47 LEU CA C 56.43 0.25 1 210 47 47 LEU CB C 42.97 0.25 1 211 47 47 LEU N N 120.33 0.15 1 212 48 48 GLY H H 8.17 0.02 1 213 48 48 GLY C C 173.40 0.25 1 214 48 48 GLY CA C 42.88 0.25 1 215 48 48 GLY N N 105.44 0.15 1 216 49 49 ARG H H 7.84 0.02 1 217 49 49 ARG C C 176.83 0.25 1 218 49 49 ARG CA C 58.60 0.25 1 219 49 49 ARG CB C 29.61 0.25 1 220 49 49 ARG N N 123.11 0.15 1 221 50 50 GLU H H 8.50 0.02 1 222 50 50 GLU C C 172.00 0.25 1 223 50 50 GLU CA C 59.49 0.25 1 224 50 50 GLU CB C 27.83 0.25 1 225 50 50 GLU N N 117.76 0.15 1 226 51 51 ASP H H 9.31 0.02 1 227 51 51 ASP C C 178.57 0.25 1 228 51 51 ASP CA C 56.57 0.25 1 229 51 51 ASP CB C 39.05 0.25 1 230 51 51 ASP N N 119.70 0.15 1 231 52 52 THR H H 7.72 0.02 1 232 52 52 THR C C 175.49 0.25 1 233 52 52 THR CA C 68.41 0.25 1 234 52 52 THR CB C 67.19 0.25 1 235 52 52 THR N N 115.96 0.15 1 236 53 53 ILE H H 8.15 0.02 1 237 53 53 ILE C C 177.59 0.25 1 238 53 53 ILE CA C 65.29 0.25 1 239 53 53 ILE CB C 36.75 0.25 1 240 53 53 ILE N N 119.60 0.15 1 241 54 54 LYS H H 7.66 0.02 1 242 54 54 LYS C C 178.00 0.25 1 243 54 54 LYS CA C 59.52 0.25 1 244 54 54 LYS CB C 31.44 0.25 1 245 54 54 LYS N N 120.05 0.15 1 246 55 55 ILE H H 8.10 0.02 1 247 55 55 ILE C C 179.14 0.25 1 248 55 55 ILE CA C 63.61 0.25 1 249 55 55 ILE CB C 36.90 0.25 1 250 55 55 ILE N N 118.25 0.15 1 251 56 56 LEU H H 7.91 0.02 1 252 56 56 LEU C C 178.47 0.25 1 253 56 56 LEU CA C 57.47 0.25 1 254 56 56 LEU CB C 40.61 0.25 1 255 56 56 LEU N N 118.88 0.15 1 256 57 57 ARG H H 8.57 0.02 1 257 57 57 ARG C C 173.59 0.25 1 258 57 57 ARG CA C 58.63 0.25 1 259 57 57 ARG CB C 28.55 0.25 1 260 57 57 ARG N N 119.17 0.15 1 261 58 58 ASP H H 8.99 0.02 1 262 58 58 ASP C C 177.60 0.25 1 263 58 58 ASP CA C 56.52 0.25 1 264 58 58 ASP CB C 38.98 0.25 1 265 58 58 ASP N N 122.42 0.15 1 266 59 59 ALA H H 7.65 0.02 1 267 59 59 ALA C C 176.97 0.25 1 268 59 59 ALA CA C 51.58 0.25 1 269 59 59 ALA CB C 17.91 0.25 1 270 59 59 ALA N N 119.55 0.15 1 271 60 60 GLY H H 7.78 0.02 1 272 60 60 GLY C C 178.51 0.25 1 273 60 60 GLY CA C 44.58 0.25 1 274 60 60 GLY N N 105.40 0.15 1 275 61 61 TYR H H 8.05 0.02 1 276 61 61 TYR C C 175.37 0.25 1 277 61 61 TYR CA C 57.41 0.25 1 278 61 61 TYR CB C 37.61 0.25 1 279 61 61 TYR N N 119.69 0.15 1 280 62 62 HIS H H 8.93 0.02 1 281 62 62 HIS C C 173.96 0.25 1 282 62 62 HIS CA C 54.62 0.25 1 283 62 62 HIS CB C 28.07 0.25 1 284 62 62 HIS N N 123.86 0.15 1 285 63 63 VAL H H 7.65 0.02 1 286 63 63 VAL C C 174.47 0.25 1 287 63 63 VAL CA C 59.95 0.25 1 288 63 63 VAL CB C 33.05 0.25 1 289 63 63 VAL N N 119.20 0.15 1 290 64 64 LYS H H 8.33 0.02 1 291 64 64 LYS C C 174.44 0.25 1 292 64 64 LYS CA C 55.18 0.25 1 293 64 64 LYS CB C 31.96 0.25 1 294 64 64 LYS N N 126.37 0.15 1 295 65 65 ALA H H 8.40 0.02 1 296 65 65 ALA C C 177.18 0.25 1 297 65 65 ALA CA C 51.14 0.25 1 298 65 65 ALA CB C 19.24 0.25 1 299 65 65 ALA N N 126.88 0.15 1 300 66 66 ASN H H 8.80 0.02 1 301 66 66 ASN C C 174.01 0.25 1 302 66 66 ASN CA C 51.95 0.25 1 303 66 66 ASN CB C 40.17 0.25 1 304 66 66 ASN N N 122.13 0.15 1 305 67 67 GLY H H 8.47 0.02 1 306 67 67 GLY C C 172.33 0.25 1 307 67 67 GLY CA C 44.51 0.25 1 308 67 67 GLY N N 111.39 0.15 1 309 68 68 VAL H H 8.21 0.02 1 310 68 68 VAL C C 173.25 0.25 1 311 68 68 VAL CA C 61.17 0.25 1 312 68 68 VAL CB C 32.96 0.25 1 313 68 68 VAL N N 121.17 0.15 1 314 69 69 ASP H H 8.33 0.02 1 315 69 69 ASP C C 174.30 0.25 1 316 69 69 ASP CA C 51.49 0.25 1 317 69 69 ASP CB C 43.13 0.25 1 318 69 69 ASP N N 127.35 0.15 1 319 70 70 VAL H H 8.56 0.02 1 320 70 70 VAL C C 176.16 0.25 1 321 70 70 VAL CA C 60.79 0.25 1 322 70 70 VAL CB C 31.66 0.25 1 323 70 70 VAL N N 119.45 0.15 1 324 71 71 THR H H 9.23 0.02 1 325 71 71 THR C C 172.18 0.25 1 326 71 71 THR CA C 59.10 0.25 1 327 71 71 THR CB C 70.17 0.25 1 328 71 71 THR N N 122.02 0.15 1 329 72 72 THR H H 8.18 0.02 1 330 72 72 THR C C 174.10 0.25 1 331 72 72 THR CA C 61.14 0.25 1 332 72 72 THR CB C 69.70 0.25 1 333 72 72 THR N N 116.62 0.15 1 334 73 73 HIS H H 9.65 0.02 1 335 73 73 HIS C C 173.34 0.25 1 336 73 73 HIS CA C 54.87 0.25 1 337 73 73 HIS CB C 33.31 0.25 1 338 73 73 HIS N N 126.94 0.15 1 339 74 74 ARG H H 8.14 0.02 1 340 74 74 ARG C C 174.81 0.25 1 341 74 74 ARG CA C 53.97 0.25 1 342 74 74 ARG CB C 30.94 0.25 1 343 74 74 ARG N N 125.98 0.15 1 344 75 75 GLN H H 8.88 0.02 1 345 75 75 GLN C C 173.49 0.25 1 346 75 75 GLN CA C 54.53 0.25 1 347 75 75 GLN CB C 32.11 0.25 1 348 75 75 GLN N N 121.37 0.15 1 349 76 76 ASP H H 8.67 0.02 1 350 76 76 ASP C C 175.93 0.25 1 351 76 76 ASP CA C 53.75 0.25 1 352 76 76 ASP CB C 40.58 0.25 1 353 76 76 ASP N N 125.11 0.15 1 354 77 77 ILE H H 8.90 0.02 1 355 77 77 ILE C C 176.19 0.25 1 356 77 77 ILE CA C 59.11 0.25 1 357 77 77 ILE CB C 37.36 0.25 1 358 77 77 ILE N N 126.06 0.15 1 359 78 78 ASN H H 9.44 0.02 1 360 78 78 ASN C C 175.10 0.25 1 361 78 78 ASN CA C 53.74 0.25 1 362 78 78 ASN CB C 36.93 0.25 1 363 78 78 ASN N N 125.78 0.15 1 364 79 79 GLY H H 8.74 0.02 1 365 79 79 GLY C C 173.69 0.25 1 366 79 79 GLY CA C 44.91 0.25 1 367 79 79 GLY N N 104.19 0.15 1 368 80 80 LYS H H 7.60 0.02 1 369 80 80 LYS C C 174.77 0.25 1 370 80 80 LYS CA C 53.68 0.25 1 371 80 80 LYS CB C 33.65 0.25 1 372 80 80 LYS N N 120.63 0.15 1 373 81 81 GLU H H 8.59 0.02 1 374 81 81 GLU C C 175.77 0.25 1 375 81 81 GLU CA C 56.82 0.25 1 376 81 81 GLU CB C 29.11 0.25 1 377 81 81 GLU N N 124.95 0.15 1 378 82 82 MET H H 8.81 0.02 1 379 82 82 MET C C 173.44 0.25 1 380 82 82 MET CA C 53.88 0.25 1 381 82 82 MET CB C 34.83 0.25 1 382 82 82 MET N N 127.62 0.15 1 383 83 83 LYS H H 8.08 0.02 1 384 83 83 LYS C C 175.14 0.25 1 385 83 83 LYS CA C 54.59 0.25 1 386 83 83 LYS CB C 33.55 0.25 1 387 83 83 LYS N N 120.19 0.15 1 388 84 84 PHE H H 9.07 0.02 1 389 84 84 PHE C C 174.58 0.25 1 390 84 84 PHE CA C 56.27 0.25 1 391 84 84 PHE CB C 42.07 0.25 1 392 84 84 PHE N N 121.70 0.15 1 393 85 85 GLU H H 9.32 0.02 1 394 85 85 GLU C C 175.93 0.25 1 395 85 85 GLU CA C 55.27 0.25 1 396 85 85 GLU CB C 29.25 0.25 1 397 85 85 GLU N N 123.73 0.15 1 398 86 86 VAL H H 8.97 0.02 1 399 86 86 VAL C C 173.64 0.25 1 400 86 86 VAL CA C 58.19 0.25 1 401 86 86 VAL CB C 34.49 0.25 1 402 86 86 VAL N N 117.91 0.15 1 403 87 87 LEU H H 8.89 0.02 1 404 87 87 LEU C C 179.56 0.25 1 405 87 87 LEU CA C 51.80 0.25 1 406 87 87 LEU CB C 42.90 0.25 1 407 87 87 LEU N N 117.65 0.15 1 408 88 88 THR H H 8.89 0.02 1 409 88 88 THR C C 174.42 0.25 1 410 88 88 THR CA C 58.44 0.25 1 411 88 88 THR CB C 68.38 0.25 1 412 88 88 THR N N 115.00 0.15 1 413 89 89 LEU H H 7.77 0.02 1 414 89 89 LEU C C 176.09 0.25 1 415 89 89 LEU CA C 52.05 0.25 1 416 89 89 LEU CB C 42.50 0.25 1 417 89 89 LEU N N 125.47 0.15 1 418 90 90 ALA H H 11.07 0.02 1 419 90 90 ALA C C 172.57 0.25 1 420 90 90 ALA CA C 53.42 0.25 1 421 90 90 ALA CB C 17.46 0.25 1 422 90 90 ALA N N 129.47 0.15 1 423 91 91 SER H H 9.39 0.02 1 424 91 91 SER C C 173.74 0.25 1 425 91 91 SER CA C 59.22 0.25 1 426 91 91 SER CB C 63.68 0.25 1 427 91 91 SER N N 111.59 0.15 1 428 92 92 LEU H H 6.47 0.02 1 429 92 92 LEU C C 174.76 0.25 1 430 92 92 LEU CA C 53.30 0.25 1 431 92 92 LEU CB C 43.85 0.25 1 432 92 92 LEU N N 120.89 0.15 1 433 93 93 THR H H 7.28 0.02 1 434 93 93 THR C C 175.88 0.25 1 435 93 93 THR CA C 60.93 0.25 1 436 93 93 THR CB C 70.26 0.25 1 437 93 93 THR N N 113.94 0.15 1 438 94 94 THR H H 8.76 0.02 1 439 94 94 THR C C 175.33 0.25 1 440 94 94 THR CA C 66.23 0.25 1 441 94 94 THR CB C 67.67 0.25 1 442 94 94 THR N N 117.54 0.15 1 443 95 95 GLU H H 8.39 0.02 1 444 95 95 GLU C C 178.22 0.25 1 445 95 95 GLU CA C 59.46 0.25 1 446 95 95 GLU CB C 28.21 0.25 1 447 95 95 GLU N N 119.45 0.15 1 448 96 96 ILE H H 7.43 0.02 1 449 96 96 ILE C C 178.35 0.25 1 450 96 96 ILE CA C 63.74 0.25 1 451 96 96 ILE CB C 36.19 0.25 1 452 96 96 ILE N N 119.42 0.15 1 453 97 97 GLN H H 7.42 0.02 1 454 97 97 GLN C C 178.61 0.25 1 455 97 97 GLN CA C 60.08 0.25 1 456 97 97 GLN CB C 29.21 0.25 1 457 97 97 GLN N N 116.94 0.15 1 458 98 98 ILE H H 8.40 0.02 1 459 98 98 ILE C C 177.17 0.25 1 460 98 98 ILE CA C 64.36 0.25 1 461 98 98 ILE CB C 35.94 0.25 1 462 98 98 ILE N N 119.33 0.15 1 463 99 99 ASN H H 7.99 0.02 1 464 99 99 ASN C C 177.99 0.25 1 465 99 99 ASN CA C 56.33 0.25 1 466 99 99 ASN CB C 37.42 0.25 1 467 99 99 ASN N N 119.26 0.15 1 468 100 100 ILE H H 7.95 0.02 1 469 100 100 ILE C C 179.23 0.25 1 470 100 100 ILE CA C 65.20 0.25 1 471 100 100 ILE CB C 37.13 0.25 1 472 100 100 ILE N N 119.78 0.15 1 473 101 101 GLU H H 7.59 0.02 1 474 101 101 GLU C C 172.21 0.25 1 475 101 101 GLU CA C 59.36 0.25 1 476 101 101 GLU CB C 27.03 0.25 1 477 101 101 GLU N N 121.61 0.15 1 478 102 102 ILE H H 9.45 0.02 1 479 102 102 ILE C C 179.50 0.25 1 480 102 102 ILE CA C 65.48 0.25 1 481 102 102 ILE CB C 36.73 0.25 1 482 102 102 ILE N N 122.58 0.15 1 483 103 103 GLU H H 8.43 0.02 1 484 103 103 GLU C C 171.95 0.25 1 485 103 103 GLU CA C 58.76 0.25 1 486 103 103 GLU CB C 27.83 0.25 1 487 103 103 GLU N N 118.47 0.15 1 488 104 104 SER H H 8.02 0.02 1 489 104 104 SER C C 176.18 0.25 1 490 104 104 SER CA C 61.10 0.25 1 491 104 104 SER CB C 62.94 0.25 1 492 104 104 SER N N 117.69 0.15 1 493 105 105 ARG H H 8.22 0.02 1 494 105 105 ARG C C 179.63 0.25 1 495 105 105 ARG CA C 59.06 0.25 1 496 105 105 ARG CB C 29.04 0.25 1 497 105 105 ARG N N 123.68 0.15 1 498 106 106 LYS H H 7.63 0.02 1 499 106 106 LYS C C 172.14 0.25 1 500 106 106 LYS CA C 59.37 0.25 1 501 106 106 LYS CB C 31.42 0.25 1 502 106 106 LYS N N 119.21 0.15 1 503 107 107 SER H H 7.68 0.02 1 504 107 107 SER C C 176.76 0.25 1 505 107 107 SER CA C 62.13 0.25 1 506 107 107 SER CB C 63.32 0.25 1 507 107 107 SER N N 116.43 0.15 1 508 108 108 TYR H H 8.94 0.02 1 509 108 108 TYR C C 177.02 0.25 1 510 108 108 TYR CA C 61.35 0.25 1 511 108 108 TYR CB C 37.65 0.25 1 512 108 108 TYR N N 123.67 0.15 1 513 109 109 LYS H H 8.16 0.02 1 514 109 109 LYS C C 179.26 0.25 1 515 109 109 LYS CA C 59.32 0.25 1 516 109 109 LYS CB C 31.05 0.25 1 517 109 109 LYS N N 117.09 0.15 1 518 110 110 LYS H H 7.44 0.02 1 519 110 110 LYS C C 173.86 0.25 1 520 110 110 LYS CA C 59.23 0.25 1 521 110 110 LYS CB C 31.50 0.25 1 522 110 110 LYS N N 119.50 0.15 1 523 111 111 MET H H 8.05 0.02 1 524 111 111 MET C C 178.01 0.25 1 525 111 111 MET CA C 58.87 0.25 1 526 111 111 MET CB C 32.72 0.25 1 527 111 111 MET N N 119.73 0.15 1 528 112 112 LEU H H 8.40 0.02 1 529 112 112 LEU C C 171.73 0.25 1 530 112 112 LEU CA C 57.23 0.25 1 531 112 112 LEU CB C 40.84 0.25 1 532 112 112 LEU N N 119.80 0.15 1 533 113 113 LYS H H 7.56 0.02 1 534 113 113 LYS C C 178.31 0.25 1 535 113 113 LYS CA C 58.16 0.25 1 536 113 113 LYS CB C 31.27 0.25 1 537 113 113 LYS N N 118.61 0.15 1 538 114 114 GLU H H 7.93 0.02 1 539 114 114 GLU C C 178.29 0.25 1 540 114 114 GLU CA C 58.05 0.25 1 541 114 114 GLU CB C 29.50 0.25 1 542 114 114 GLU N N 116.84 0.15 1 543 115 115 MET H H 8.76 0.02 1 544 115 115 MET C C 177.74 0.25 1 545 115 115 MET CA C 56.21 0.25 1 546 115 115 MET CB C 33.93 0.25 1 547 115 115 MET N N 114.46 0.15 1 548 116 116 GLY H H 8.13 0.02 1 549 116 116 GLY C C 173.22 0.25 1 550 116 116 GLY CA C 45.74 0.25 1 551 116 116 GLY N N 111.51 0.15 1 552 117 117 GLU H H 7.60 0.02 1 553 117 117 GLU C C 174.72 0.25 1 554 117 117 GLU CA C 54.77 0.25 1 555 117 117 GLU CB C 30.78 0.25 1 556 117 117 GLU N N 118.72 0.15 1 557 118 118 VAL H H 8.68 0.02 1 558 118 118 VAL C C 175.27 0.25 1 559 118 118 VAL CA C 61.53 0.25 1 560 118 118 VAL CB C 31.25 0.25 1 561 118 118 VAL N N 124.25 0.15 1 562 119 119 ALA H H 8.52 0.02 1 563 119 119 ALA CA C 51.12 0.25 1 564 119 119 ALA CB C 16.38 0.25 1 565 119 119 ALA N N 131.99 0.15 1 566 120 120 PRO C C 178.83 0.25 1 567 120 120 PRO CA C 65.88 0.25 1 568 120 120 PRO CB C 31.36 0.25 1 569 121 121 GLU H H 9.56 0.02 1 570 121 121 GLU C C 175.54 0.25 1 571 121 121 GLU CA C 57.31 0.25 1 572 121 121 GLU CB C 26.93 0.25 1 573 121 121 GLU N N 114.92 0.15 1 574 122 122 TYR H H 8.11 0.02 1 575 122 122 TYR C C 175.86 0.25 1 576 122 122 TYR CA C 56.31 0.25 1 577 122 122 TYR CB C 38.17 0.25 1 578 122 122 TYR N N 117.74 0.15 1 579 123 123 ARG H H 7.49 0.02 1 580 123 123 ARG C C 178.16 0.25 1 581 123 123 ARG CA C 56.40 0.25 1 582 123 123 ARG CB C 33.34 0.25 1 583 123 123 ARG N N 115.32 0.15 1 584 124 124 HIS H H 9.42 0.02 1 585 124 124 HIS C C 171.92 0.25 1 586 124 124 HIS CA C 56.56 0.25 1 587 124 124 HIS CB C 28.63 0.25 1 588 124 124 HIS N N 118.86 0.15 1 589 125 125 ASP H H 7.01 0.02 1 590 125 125 ASP C C 176.48 0.25 1 591 125 125 ASP CA C 50.36 0.25 1 592 125 125 ASP CB C 38.77 0.25 1 593 125 125 ASP N N 112.30 0.15 1 594 126 126 SER H H 6.70 0.02 1 595 126 126 SER CA C 56.45 0.25 1 596 126 126 SER CB C 62.93 0.25 1 597 126 126 SER N N 114.70 0.15 1 598 127 127 PRO C C 176.59 0.25 1 599 127 127 PRO CA C 63.83 0.25 1 600 127 127 PRO CB C 31.34 0.25 1 601 128 128 ASP H H 8.08 0.02 1 602 128 128 ASP C C 176.57 0.25 1 603 128 128 ASP CA C 53.76 0.25 1 604 128 128 ASP CB C 40.39 0.25 1 605 128 128 ASP N N 113.79 0.15 1 606 129 129 CYS H H 7.36 0.02 1 607 129 129 CYS C C 175.68 0.25 1 608 129 129 CYS CA C 65.32 0.25 1 609 129 129 CYS CB C 26.58 0.25 1 610 129 129 CYS N N 117.86 0.15 1 611 130 130 GLY H H 8.89 0.02 1 612 130 130 GLY C C 175.46 0.25 1 613 130 130 GLY CA C 46.98 0.25 1 614 130 130 GLY N N 106.95 0.15 1 615 131 131 MET H H 7.83 0.02 1 616 131 131 MET C C 179.21 0.25 1 617 131 131 MET CA C 54.75 0.25 1 618 131 131 MET CB C 28.70 0.25 1 619 131 131 MET N N 117.52 0.15 1 620 132 132 ILE H H 8.24 0.02 1 621 132 132 ILE CA C 66.49 0.25 1 622 132 132 ILE CB C 36.12 0.25 1 623 132 132 ILE N N 121.36 0.15 1 624 140 140 VAL C C 177.95 0.25 1 625 140 140 VAL CA C 65.80 0.25 1 626 140 140 VAL CB C 30.98 0.25 1 627 141 141 ILE H H 8.02 0.02 1 628 141 141 ILE C C 176.62 0.25 1 629 141 141 ILE CA C 62.66 0.25 1 630 141 141 ILE CB C 36.01 0.25 1 631 141 141 ILE N N 115.50 0.15 1 632 142 142 THR H H 7.10 0.02 1 633 142 142 THR C C 175.24 0.25 1 634 142 142 THR CA C 63.69 0.25 1 635 142 142 THR CB C 68.38 0.25 1 636 142 142 THR N N 110.60 0.15 1 637 143 143 LYS H H 7.91 0.02 1 638 143 143 LYS C C 177.97 0.25 1 639 143 143 LYS CA C 53.82 0.25 1 640 143 143 LYS CB C 31.07 0.25 1 641 143 143 LYS N N 118.88 0.15 1 642 144 144 LEU H H 7.53 0.02 1 643 144 144 LEU C C 178.81 0.25 1 644 144 144 LEU CA C 56.51 0.25 1 645 144 144 LEU CB C 40.86 0.25 1 646 144 144 LEU N N 121.75 0.15 1 647 145 145 ALA H H 8.52 0.02 1 648 145 145 ALA C C 177.72 0.25 1 649 145 145 ALA CA C 53.24 0.25 1 650 145 145 ALA CB C 17.49 0.25 1 651 145 145 ALA N N 122.90 0.15 1 652 146 146 ALA H H 7.75 0.02 1 653 146 146 ALA C C 178.94 0.25 1 654 146 146 ALA CA C 52.94 0.25 1 655 146 146 ALA CB C 18.10 0.25 1 656 146 146 ALA N N 119.72 0.15 1 657 147 147 GLY H H 8.23 0.02 1 658 147 147 GLY C C 172.88 0.25 1 659 147 147 GLY CA C 45.04 0.25 1 660 147 147 GLY N N 104.72 0.15 1 661 148 148 ASP H H 7.72 0.02 1 662 148 148 ASP C C 177.41 0.25 1 663 148 148 ASP CA C 52.47 0.25 1 664 148 148 ASP CB C 40.68 0.25 1 665 148 148 ASP N N 118.35 0.15 1 666 149 149 ARG H H 8.70 0.02 1 667 149 149 ARG C C 177.63 0.25 1 668 149 149 ARG CA C 54.98 0.25 1 669 149 149 ARG CB C 27.40 0.25 1 670 149 149 ARG N N 120.02 0.15 1 671 150 150 SER H H 8.77 0.02 1 672 150 150 SER C C 176.71 0.25 1 673 150 150 SER CA C 60.85 0.25 1 674 150 150 SER CB C 61.94 0.25 1 675 150 150 SER N N 118.48 0.15 1 676 151 151 GLY H H 8.56 0.02 1 677 151 151 GLY C C 173.66 0.25 1 678 151 151 GLY CA C 45.16 0.25 1 679 151 151 GLY N N 109.91 0.15 1 680 152 152 LEU H H 7.75 0.02 1 681 152 152 LEU C C 177.91 0.25 1 682 152 152 LEU CA C 58.37 0.25 1 683 152 152 LEU CB C 40.89 0.25 1 684 152 152 LEU N N 121.43 0.15 1 685 153 153 THR H H 8.14 0.02 1 686 153 153 THR C C 176.19 0.25 1 687 153 153 THR CA C 66.30 0.25 1 688 153 153 THR CB C 67.48 0.25 1 689 153 153 THR N N 112.11 0.15 1 690 154 154 ALA H H 8.00 0.02 1 691 154 154 ALA C C 172.61 0.25 1 692 154 154 ALA CA C 54.46 0.25 1 693 154 154 ALA CB C 17.32 0.25 1 694 154 154 ALA N N 124.22 0.15 1 695 155 155 VAL H H 8.18 0.02 1 696 155 155 VAL C C 177.22 0.25 1 697 155 155 VAL CA C 66.45 0.25 1 698 155 155 VAL CB C 30.09 0.25 1 699 155 155 VAL N N 120.03 0.15 1 700 156 156 ILE H H 8.29 0.02 1 701 156 156 ILE C C 177.40 0.25 1 702 156 156 ILE CA C 65.64 0.25 1 703 156 156 ILE CB C 37.83 0.25 1 704 156 156 ILE N N 118.79 0.15 1 705 157 157 ARG H H 8.01 0.02 1 706 157 157 ARG C C 179.34 0.25 1 707 157 157 ARG CA C 58.99 0.25 1 708 157 157 ARG CB C 29.19 0.25 1 709 157 157 ARG N N 118.11 0.15 1 710 158 158 ARG H H 8.15 0.02 1 711 158 158 ARG C C 178.99 0.25 1 712 158 158 ARG CA C 58.23 0.25 1 713 158 158 ARG CB C 28.72 0.25 1 714 158 158 ARG N N 117.80 0.15 1 715 159 159 ALA H H 8.96 0.02 1 716 159 159 ALA C C 178.09 0.25 1 717 159 159 ALA CA C 55.36 0.25 1 718 159 159 ALA CB C 17.12 0.25 1 719 159 159 ALA N N 121.95 0.15 1 720 160 160 ASN H H 8.28 0.02 1 721 160 160 ASN C C 176.43 0.25 1 722 160 160 ASN CA C 54.73 0.25 1 723 160 160 ASN CB C 37.73 0.25 1 724 160 160 ASN N N 113.52 0.15 1 725 161 161 ASN H H 7.33 0.02 1 726 161 161 ASN C C 177.39 0.25 1 727 161 161 ASN CA C 54.98 0.25 1 728 161 161 ASN CB C 39.30 0.25 1 729 161 161 ASN N N 114.19 0.15 1 730 162 162 VAL H H 8.74 0.02 1 731 162 162 VAL C C 177.37 0.25 1 732 162 162 VAL CA C 64.07 0.25 1 733 162 162 VAL CB C 31.47 0.25 1 734 162 162 VAL N N 115.83 0.15 1 735 163 163 LEU H H 8.28 0.02 1 736 163 163 LEU C C 176.87 0.25 1 737 163 163 LEU CA C 53.19 0.25 1 738 163 163 LEU CB C 39.34 0.25 1 739 163 163 LEU N N 118.28 0.15 1 740 164 164 LYS H H 6.99 0.02 1 741 164 164 LYS C C 179.22 0.25 1 742 164 164 LYS CA C 60.00 0.25 1 743 164 164 LYS CB C 31.20 0.25 1 744 164 164 LYS N N 119.73 0.15 1 745 165 165 ASN H H 8.76 0.02 1 746 165 165 ASN C C 177.28 0.25 1 747 165 165 ASN CA C 55.92 0.25 1 748 165 165 ASN CB C 36.60 0.25 1 749 165 165 ASN N N 117.05 0.15 1 750 166 166 GLU H H 8.36 0.02 1 751 166 166 GLU C C 178.18 0.25 1 752 166 166 GLU CA C 60.92 0.25 1 753 166 166 GLU CB C 27.30 0.25 1 754 166 166 GLU N N 122.44 0.15 1 755 167 167 MET H H 8.69 0.02 1 756 167 167 MET C C 177.25 0.25 1 757 167 167 MET CA C 58.88 0.25 1 758 167 167 MET CB C 32.09 0.25 1 759 167 167 MET N N 119.68 0.15 1 760 168 168 LYS H H 7.13 0.02 1 761 168 168 LYS C C 178.14 0.25 1 762 168 168 LYS CA C 57.58 0.25 1 763 168 168 LYS CB C 31.07 0.25 1 764 168 168 LYS N N 116.36 0.15 1 765 169 169 ARG H H 6.97 0.02 1 766 169 169 ARG C C 175.79 0.25 1 767 169 169 ARG CA C 57.56 0.25 1 768 169 169 ARG CB C 31.84 0.25 1 769 169 169 ARG N N 115.65 0.15 1 770 170 170 TYR H H 7.30 0.02 1 771 170 170 TYR C C 176.19 0.25 1 772 170 170 TYR CA C 57.06 0.25 1 773 170 170 TYR CB C 39.91 0.25 1 774 170 170 TYR N N 115.85 0.15 1 775 171 171 LYS H H 9.55 0.02 1 776 171 171 LYS C C 178.12 0.25 1 777 171 171 LYS CA C 58.22 0.25 1 778 171 171 LYS CB C 31.83 0.25 1 779 171 171 LYS N N 125.70 0.15 1 780 172 172 GLY H H 8.76 0.02 1 781 172 172 GLY C C 175.49 0.25 1 782 172 172 GLY CA C 45.01 0.25 1 783 172 172 GLY N N 105.16 0.15 1 784 173 173 LEU H H 7.74 0.02 1 785 173 173 LEU C C 172.69 0.25 1 786 173 173 LEU CA C 54.47 0.25 1 787 173 173 LEU CB C 38.15 0.25 1 788 173 173 LEU N N 123.42 0.15 1 789 174 174 LEU H H 6.42 0.02 1 790 174 174 LEU CA C 50.91 0.25 1 791 174 174 LEU CB C 41.68 0.25 1 792 174 174 LEU N N 130.84 0.15 1 793 175 175 PRO C C 176.59 0.25 1 794 175 175 PRO CA C 66.09 0.25 1 795 175 175 PRO CB C 31.99 0.25 1 796 176 176 LYS H H 8.97 0.02 1 797 176 176 LYS C C 176.86 0.25 1 798 176 176 LYS CA C 59.89 0.25 1 799 176 176 LYS CB C 30.92 0.25 1 800 176 176 LYS N N 116.86 0.15 1 801 177 177 ASP H H 7.33 0.02 1 802 177 177 ASP C C 179.67 0.25 1 803 177 177 ASP CA C 56.19 0.25 1 804 177 177 ASP CB C 40.25 0.25 1 805 177 177 ASP N N 116.11 0.15 1 806 178 178 ILE H H 8.10 0.02 1 807 178 178 ILE C C 177.10 0.25 1 808 178 178 ILE CA C 65.33 0.25 1 809 178 178 ILE CB C 37.11 0.25 1 810 178 178 ILE N N 119.01 0.15 1 811 179 179 ALA H H 8.96 0.02 1 812 179 179 ALA C C 179.44 0.25 1 813 179 179 ALA CA C 55.49 0.25 1 814 179 179 ALA CB C 17.32 0.25 1 815 179 179 ALA N N 121.95 0.15 1 816 180 180 ASN H H 8.45 0.02 1 817 180 180 ASN C C 176.70 0.25 1 818 180 180 ASN CA C 56.11 0.25 1 819 180 180 ASN CB C 37.58 0.25 1 820 180 180 ASN N N 115.43 0.15 1 821 181 181 SER H H 7.29 0.02 1 822 181 181 SER C C 178.59 0.25 1 823 181 181 SER CA C 60.52 0.25 1 824 181 181 SER CB C 62.80 0.25 1 825 181 181 SER N N 113.05 0.15 1 826 182 182 PHE H H 7.99 0.02 1 827 182 182 PHE C C 176.81 0.25 1 828 182 182 PHE CA C 62.80 0.25 1 829 182 182 PHE CB C 37.49 0.25 1 830 182 182 PHE N N 117.35 0.15 1 831 183 183 TYR H H 9.07 0.02 1 832 183 183 TYR C C 178.08 0.25 1 833 183 183 TYR CA C 63.63 0.25 1 834 183 183 TYR CB C 36.79 0.25 1 835 183 183 TYR N N 119.06 0.15 1 836 184 184 GLU H H 7.95 0.02 1 837 184 184 GLU C C 178.44 0.25 1 838 184 184 GLU CA C 59.21 0.25 1 839 184 184 GLU CB C 28.48 0.25 1 840 184 184 GLU N N 115.35 0.15 1 841 185 185 VAL H H 7.81 0.02 1 842 185 185 VAL C C 177.29 0.25 1 843 185 185 VAL CA C 65.17 0.25 1 844 185 185 VAL CB C 30.02 0.25 1 845 185 185 VAL N N 118.59 0.15 1 846 186 186 PHE H H 8.27 0.02 1 847 186 186 PHE C C 177.97 0.25 1 848 186 186 PHE CA C 57.65 0.25 1 849 186 186 PHE CB C 37.86 0.25 1 850 186 186 PHE N N 119.04 0.15 1 851 187 187 GLU H H 8.31 0.02 1 852 187 187 GLU C C 179.07 0.25 1 853 187 187 GLU CA C 57.99 0.25 1 854 187 187 GLU CB C 29.23 0.25 1 855 187 187 GLU N N 117.54 0.15 1 856 188 188 LYS H H 8.09 0.02 1 857 188 188 LYS C C 176.79 0.25 1 858 188 188 LYS CA C 57.04 0.25 1 859 188 188 LYS CB C 32.42 0.25 1 860 188 188 LYS N N 115.45 0.15 1 861 189 189 HIS H H 7.98 0.02 1 862 189 189 HIS CA C 51.64 0.25 1 863 189 189 HIS CB C 28.78 0.25 1 864 189 189 HIS N N 115.54 0.15 1 865 190 190 PRO C C 178.69 0.25 1 866 190 190 PRO CA C 64.86 0.25 1 867 190 190 PRO CB C 30.89 0.25 1 868 191 191 HIS H H 7.81 0.02 1 869 191 191 HIS C C 177.52 0.25 1 870 191 191 HIS CA C 57.43 0.25 1 871 191 191 HIS CB C 27.42 0.25 1 872 191 191 HIS N N 114.66 0.15 1 873 192 192 PHE H H 8.16 0.02 1 874 192 192 PHE C C 178.76 0.25 1 875 192 192 PHE CA C 58.05 0.25 1 876 192 192 PHE CB C 36.26 0.25 1 877 192 192 PHE N N 117.56 0.15 1 878 193 193 ILE H H 8.34 0.02 1 879 193 193 ILE C C 177.08 0.25 1 880 193 193 ILE CA C 65.67 0.25 1 881 193 193 ILE CB C 36.29 0.25 1 882 193 193 ILE N N 122.50 0.15 1 883 194 194 ASP H H 7.42 0.02 1 884 194 194 ASP C C 179.58 0.25 1 885 194 194 ASP CA C 57.41 0.25 1 886 194 194 ASP CB C 40.12 0.25 1 887 194 194 ASP N N 116.42 0.15 1 888 195 195 VAL H H 7.89 0.02 1 889 195 195 VAL CA C 66.75 0.25 1 890 195 195 VAL CB C 31.04 0.25 1 891 195 195 VAL N N 116.96 0.15 1 892 196 196 PHE C C 176.72 0.25 1 893 196 196 PHE CA C 62.55 0.25 1 894 196 196 PHE CB C 38.81 0.25 1 895 197 197 VAL H H 8.99 0.02 1 896 197 197 VAL C C 177.52 0.25 1 897 197 197 VAL CA C 66.37 0.25 1 898 197 197 VAL CB C 30.58 0.25 1 899 197 197 VAL N N 118.03 0.15 1 900 198 198 HIS H H 7.94 0.02 1 901 198 198 HIS C C 178.17 0.25 1 902 198 198 HIS CA C 60.43 0.25 1 903 198 198 HIS CB C 28.55 0.25 1 904 198 198 HIS N N 115.77 0.15 1 905 199 199 PHE H H 8.76 0.02 1 906 199 199 PHE C C 175.73 0.25 1 907 199 199 PHE CA C 60.87 0.25 1 908 199 199 PHE CB C 37.03 0.25 1 909 199 199 PHE N N 121.07 0.15 1 910 200 200 GLY H H 8.46 0.02 1 911 200 200 GLY C C 176.61 0.25 1 912 200 200 GLY CA C 45.13 0.25 1 913 200 200 GLY N N 107.81 0.15 1 914 201 201 ILE H H 7.93 0.02 1 915 201 201 ILE C C 178.79 0.25 1 916 201 201 ILE CA C 64.41 0.25 1 917 201 201 ILE CB C 37.40 0.25 1 918 201 201 ILE N N 123.27 0.15 1 919 202 202 ALA H H 7.49 0.02 1 920 202 202 ALA C C 172.36 0.25 1 921 202 202 ALA CA C 54.23 0.25 1 922 202 202 ALA CB C 16.79 0.25 1 923 202 202 ALA N N 123.17 0.15 1 924 203 203 GLN H H 8.41 0.02 1 925 203 203 GLN C C 178.28 0.25 1 926 203 203 GLN CA C 57.36 0.25 1 927 203 203 GLN CB C 25.39 0.25 1 928 203 203 GLN N N 118.91 0.15 1 929 204 204 SER H H 7.63 0.02 1 930 204 204 SER C C 175.10 0.25 1 931 204 204 SER CA C 61.02 0.25 1 932 204 204 SER CB C 62.64 0.25 1 933 204 204 SER N N 112.30 0.15 1 934 205 205 SER H H 7.36 0.02 1 935 205 205 SER C C 174.65 0.25 1 936 205 205 SER CA C 58.86 0.25 1 937 205 205 SER CB C 63.37 0.25 1 938 205 205 SER N N 114.17 0.15 1 939 206 206 THR H H 7.61 0.02 1 940 206 206 THR C C 174.16 0.25 1 941 206 206 THR CA C 61.52 0.25 1 942 206 206 THR CB C 69.47 0.25 1 943 206 206 THR N N 114.92 0.15 1 944 207 207 ARG H H 8.28 0.02 1 945 207 207 ARG C C 176.54 0.25 1 946 207 207 ARG CA C 55.30 0.25 1 947 207 207 ARG CB C 30.08 0.25 1 948 207 207 ARG N N 122.65 0.15 1 949 208 208 GLY H H 8.53 0.02 1 950 208 208 GLY C C 174.77 0.25 1 951 208 208 GLY CA C 44.78 0.25 1 952 208 208 GLY N N 109.53 0.15 1 953 209 209 GLY H H 8.36 0.02 1 954 209 209 GLY C C 174.24 0.25 1 955 209 209 GLY CA C 44.54 0.25 1 956 209 209 GLY N N 107.88 0.15 1 957 210 210 SER H H 8.32 0.02 1 958 210 210 SER C C 175.48 0.25 1 959 210 210 SER CA C 57.05 0.25 1 960 210 210 SER CB C 64.57 0.25 1 961 210 210 SER N N 115.58 0.15 1 962 211 211 ARG H H 9.04 0.02 1 963 211 211 ARG C C 171.97 0.25 1 964 211 211 ARG CA C 59.09 0.25 1 965 211 211 ARG CB C 28.43 0.25 1 966 211 211 ARG N N 123.56 0.15 1 967 212 212 VAL H H 8.88 0.02 1 968 212 212 VAL C C 179.40 0.25 1 969 212 212 VAL CA C 66.07 0.25 1 970 212 212 VAL CB C 30.06 0.25 1 971 212 212 VAL N N 118.40 0.15 1 972 213 213 GLU H H 7.72 0.02 1 973 213 213 GLU C C 179.67 0.25 1 974 213 213 GLU CA C 60.23 0.25 1 975 213 213 GLU CB C 27.14 0.25 1 976 213 213 GLU N N 120.30 0.15 1 977 214 214 GLY H H 8.04 0.02 1 978 214 214 GLY C C 177.09 0.25 1 979 214 214 GLY CA C 46.68 0.25 1 980 214 214 GLY N N 108.20 0.15 1 981 215 215 ILE H H 8.27 0.02 1 982 215 215 ILE C C 179.08 0.25 1 983 215 215 ILE CA C 64.69 0.25 1 984 215 215 ILE CB C 36.82 0.25 1 985 215 215 ILE N N 124.85 0.15 1 986 216 216 PHE H H 8.65 0.02 1 987 216 216 PHE C C 176.23 0.25 1 988 216 216 PHE CA C 62.63 0.25 1 989 216 216 PHE CB C 37.97 0.25 1 990 216 216 PHE N N 119.91 0.15 1 991 217 217 ALA H H 8.16 0.02 1 992 217 217 ALA C C 172.78 0.25 1 993 217 217 ALA CA C 54.46 0.25 1 994 217 217 ALA CB C 17.13 0.25 1 995 217 217 ALA N N 120.11 0.15 1 996 218 218 GLY H H 7.94 0.02 1 997 218 218 GLY C C 176.38 0.25 1 998 218 218 GLY CA C 46.38 0.25 1 999 218 218 GLY N N 104.34 0.15 1 1000 219 219 LEU H H 8.00 0.02 1 1001 219 219 LEU C C 171.89 0.25 1 1002 219 219 LEU CA C 56.25 0.25 1 1003 219 219 LEU CB C 41.46 0.25 1 1004 219 219 LEU N N 120.66 0.15 1 1005 220 220 PHE H H 8.91 0.02 1 1006 220 220 PHE C C 176.53 0.25 1 1007 220 220 PHE CA C 61.48 0.25 1 1008 220 220 PHE N N 120.52 0.15 1 1009 221 221 MET H H 8.12 0.02 1 1010 221 221 MET C C 177.67 0.25 1 1011 221 221 MET CA C 56.93 0.25 1 1012 221 221 MET N N 117.30 0.15 1 1013 222 222 ASN H H 7.56 0.02 1 1014 222 222 ASN C C 175.35 0.25 1 1015 222 222 ASN CA C 54.36 0.25 1 1016 222 222 ASN CB C 38.14 0.25 1 1017 222 222 ASN N N 115.80 0.15 1 1018 223 223 ALA H H 7.59 0.02 1 1019 223 223 ALA C C 177.48 0.25 1 1020 223 223 ALA CA C 52.83 0.25 1 1021 223 223 ALA CB C 18.28 0.25 1 1022 223 223 ALA N N 121.33 0.15 1 1023 224 224 TYR H H 7.84 0.02 1 1024 224 224 TYR C C 176.24 0.25 1 1025 224 224 TYR CA C 58.56 0.25 1 1026 224 224 TYR CB C 38.39 0.25 1 1027 224 224 TYR N N 117.49 0.15 1 1028 225 225 GLY H H 8.05 0.02 1 1029 225 225 GLY C C 174.42 0.25 1 1030 225 225 GLY CA C 45.13 0.25 1 1031 225 225 GLY N N 108.69 0.15 1 1032 226 226 LEU H H 7.86 0.02 1 1033 226 226 LEU C C 177.46 0.25 1 1034 226 226 LEU CA C 54.94 0.25 1 1035 226 226 LEU CB C 41.08 0.25 1 1036 226 226 LEU N N 120.08 0.15 1 1037 227 227 GLU H H 8.34 0.02 1 1038 227 227 GLU C C 176.20 0.25 1 1039 227 227 GLU CA C 56.13 0.25 1 1040 227 227 GLU CB C 28.89 0.25 1 1041 227 227 GLU N N 119.52 0.15 1 1042 228 228 HIS H H 8.24 0.02 1 1043 228 228 HIS C C 174.65 0.25 1 1044 228 228 HIS CA C 55.52 0.25 1 1045 228 228 HIS CB C 28.93 0.25 1 1046 228 228 HIS N N 118.72 0.15 1 1047 229 229 HIS H H 8.26 0.02 1 1048 229 229 HIS CA C 55.45 0.25 1 1049 229 229 HIS CB C 28.93 0.25 1 1050 229 229 HIS N N 119.03 0.15 1 1051 231 231 HIS C C 174.46 0.25 1 1052 231 231 HIS CA C 55.32 0.25 1 1053 231 231 HIS CB C 29.11 0.25 1 1054 232 232 HIS H H 8.48 0.02 1 1055 232 232 HIS C C 173.74 0.25 1 1056 232 232 HIS CA C 55.24 0.25 1 1057 232 232 HIS CB C 29.14 0.25 1 1058 232 232 HIS N N 120.26 0.15 1 1059 233 233 HIS H H 8.26 0.02 1 1060 233 233 HIS CA C 56.74 0.25 1 1061 233 233 HIS N N 125.05 0.15 1 stop_ save_