data_19803 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; NMR resonance assignment of the N-terminal polypeptide of the Anthrax Lethal Factor ; _BMRB_accession_number 19803 _BMRB_flat_file_name bmr19803.str _Entry_type original _Submission_date 2014-02-18 _Accession_date 2014-02-18 _Entry_origination author _NMR_STAR_version 2.1.1 _Experimental_method NMR _Details ; N-terminal Domain of Lethal Factor(Uniprot code:P15917):61-293(233 a.a.) recombinant polypeptide expressed in E.coli studied through NMR spectroscopy. ; loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Vourtsis Dionysios J. . 2 Chasapis Christos T. . 3 Bentrop Detlef . . 4 Spyroulias Georgios A. . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 450 "13C chemical shifts" 575 "15N chemical shifts" 217 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2019-07-12 original BMRB . stop_ loop_ _Related_BMRB_accession_number _Relationship 16735 'NMR resonance assignment of the apo C-terminal polypeptide of the Anthrax Lethal Factor catalytic domain' stop_ _Original_release_date 2014-02-18 save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full . _Citation_title ; NMR conformational properties of an Anthrax Lethal Factor domain studied by multiple amino acid-selective labeling ; _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 24944022 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Vourtsis Dionysios J. . 2 Chasapis Christos T. . 3 Pairas George . . 4 Bentrop Detlef . . 5 Spyroulias Georgios A. . stop_ _Journal_abbreviation 'Biochem. Biophys. Res. Commun.' _Journal_name_full 'Biochemical and biophysical research communications' _Journal_volume 450 _Journal_issue 1 _Journal_ISSN 1090-2104 _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 335 _Page_last 340 _Year 2014 _Details . loop_ _Keyword 'Bacillus Anrhacis' 'Lethal Factor N terminal domain' 'NMR Spectroscopy' 'Overexpression in E. coli' stop_ save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name 'Anthrax Lethal Factor N-terminal' _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label 'Anthrax Lethal Factor N-terminal' $Anthrax_Lethal_Factor_N-terminal stop_ _System_molecular_weight . _System_physical_state native _System_oligomer_state ? _System_paramagnetic no _System_thiol_state . loop_ _Biological_function 'Interaction with Protective Antigen and endocytosis' 'Zinc metallopeptidase' stop_ _Database_query_date . _Details . save_ ######################## # Monomeric polymers # ######################## save_Anthrax_Lethal_Factor_N-terminal _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common Anthrax_Lethal_Factor_N-terminal _Molecular_mass 27196.7 _Mol_thiol_state 'all free' loop_ _Biological_function 'Anthrax lethal toxin endopeptidase component' 'Interaction with Protective Antigen(PA)' stop_ _Details ; The first 2 residues in the deposited sequence are due to subcloning and are not actually part of the assigned sequence. ; ############################## # Polymer residue sequence # ############################## _Residue_count 235 _Mol_residue_sequence ; GSRNKTQEEHLKEIMKHIVK IEVKGEEAVKKEAAEKLLEK VPSDVLEMYKAIGGKIYIVD GDITKHISLEALSEDKKKIK DIYGKDALLHEHYVYAKEGY EPVLVIQSSEDYVENTEKAL NVYYEIGKILSRDILSKINQ PYQKFLDVLNTIKNASDSDG QDLLFTNQLKEHPTDFSVEF LEQNSNEVQEVFAKAFAYYI EPQHRDVLQLYAPEAFNYMD KFNEQEINLSLEELK ; loop_ _Residue_seq_code _Residue_author_seq_code _Residue_label 1 -2 GLY 2 -1 SER 3 28 ARG 4 29 ASN 5 30 LYS 6 31 THR 7 32 GLN 8 33 GLU 9 34 GLU 10 35 HIS 11 36 LEU 12 37 LYS 13 38 GLU 14 39 ILE 15 40 MET 16 41 LYS 17 42 HIS 18 43 ILE 19 44 VAL 20 45 LYS 21 46 ILE 22 47 GLU 23 48 VAL 24 49 LYS 25 50 GLY 26 51 GLU 27 52 GLU 28 53 ALA 29 54 VAL 30 55 LYS 31 56 LYS 32 57 GLU 33 58 ALA 34 59 ALA 35 60 GLU 36 61 LYS 37 62 LEU 38 63 LEU 39 64 GLU 40 65 LYS 41 66 VAL 42 67 PRO 43 68 SER 44 69 ASP 45 70 VAL 46 71 LEU 47 72 GLU 48 73 MET 49 74 TYR 50 75 LYS 51 76 ALA 52 77 ILE 53 78 GLY 54 79 GLY 55 80 LYS 56 81 ILE 57 82 TYR 58 83 ILE 59 84 VAL 60 85 ASP 61 86 GLY 62 87 ASP 63 88 ILE 64 89 THR 65 90 LYS 66 91 HIS 67 92 ILE 68 93 SER 69 94 LEU 70 95 GLU 71 96 ALA 72 97 LEU 73 98 SER 74 99 GLU 75 100 ASP 76 101 LYS 77 102 LYS 78 103 LYS 79 104 ILE 80 105 LYS 81 106 ASP 82 107 ILE 83 108 TYR 84 109 GLY 85 110 LYS 86 111 ASP 87 112 ALA 88 113 LEU 89 114 LEU 90 115 HIS 91 116 GLU 92 117 HIS 93 118 TYR 94 119 VAL 95 120 TYR 96 121 ALA 97 122 LYS 98 123 GLU 99 124 GLY 100 125 TYR 101 126 GLU 102 127 PRO 103 128 VAL 104 129 LEU 105 130 VAL 106 131 ILE 107 132 GLN 108 133 SER 109 134 SER 110 135 GLU 111 136 ASP 112 137 TYR 113 138 VAL 114 139 GLU 115 140 ASN 116 141 THR 117 142 GLU 118 143 LYS 119 144 ALA 120 145 LEU 121 146 ASN 122 147 VAL 123 148 TYR 124 149 TYR 125 150 GLU 126 151 ILE 127 152 GLY 128 153 LYS 129 154 ILE 130 155 LEU 131 156 SER 132 157 ARG 133 158 ASP 134 159 ILE 135 160 LEU 136 161 SER 137 162 LYS 138 163 ILE 139 164 ASN 140 165 GLN 141 166 PRO 142 167 TYR 143 168 GLN 144 169 LYS 145 170 PHE 146 171 LEU 147 172 ASP 148 173 VAL 149 174 LEU 150 175 ASN 151 176 THR 152 177 ILE 153 178 LYS 154 179 ASN 155 180 ALA 156 181 SER 157 182 ASP 158 183 SER 159 184 ASP 160 185 GLY 161 186 GLN 162 187 ASP 163 188 LEU 164 189 LEU 165 190 PHE 166 191 THR 167 192 ASN 168 193 GLN 169 194 LEU 170 195 LYS 171 196 GLU 172 197 HIS 173 198 PRO 174 199 THR 175 200 ASP 176 201 PHE 177 202 SER 178 203 VAL 179 204 GLU 180 205 PHE 181 206 LEU 182 207 GLU 183 208 GLN 184 209 ASN 185 210 SER 186 211 ASN 187 212 GLU 188 213 VAL 189 214 GLN 190 215 GLU 191 216 VAL 192 217 PHE 193 218 ALA 194 219 LYS 195 220 ALA 196 221 PHE 197 222 ALA 198 223 TYR 199 224 TYR 200 225 ILE 201 226 GLU 202 227 PRO 203 228 GLN 204 229 HIS 205 230 ARG 206 231 ASP 207 232 VAL 208 233 LEU 209 234 GLN 210 235 LEU 211 236 TYR 212 237 ALA 213 238 PRO 214 239 GLU 215 240 ALA 216 241 PHE 217 242 ASN 218 243 TYR 219 244 MET 220 245 ASP 221 246 LYS 222 247 PHE 223 248 ASN 224 249 GLU 225 250 GLN 226 251 GLU 227 252 ILE 228 253 ASN 229 254 LEU 230 255 SER 231 256 LEU 232 257 GLU 233 258 GLU 234 259 LEU 235 260 LYS 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 EMBL P15917 LEF_BACAN . . . . . stop_ save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species $Anthrax_Lethal_Factor_N-terminal 'Bacillus Anthracis' 1392 Bacteria . Bacillus Anthracis 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 $Anthrax_Lethal_Factor_N-terminal 'recombinant technology' . Escherichia coli 'Escherichia coli BL21' pGEX-4T1 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 $Anthrax_Lethal_Factor_N-terminal 0.3 mM '[U-99% 15N]' D2O 10 % 'natural abundance' H2O 90 % 'natural abundance' Pi 50 mM 'natural abundance' stop_ save_ save_sample_2 _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $Anthrax_Lethal_Factor_N-terminal 0.3 mM '[U-98% 13C; U-98% 15N]' D2O 10 % 'natural abundance' H2O 90 % 'natural abundance' Pi 50 mM 'natural abundance' stop_ save_ save_sample_4-8 _Saveframe_category sample _Sample_type solution _Details ; Specific labeling with [U-15N]-Phe+Leu/Tyr+Ala/Val+Ile and reverse labeling 15N Anthrax Lethal Factor N-terminal domain[U-14N]-Lys ; loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $Anthrax_Lethal_Factor_N-terminal 0.3 mM '[U-99% 15N]' D2O 10 % 'natural abundance' H2O 90 % 'natural abundance' Pi 50 mM 'natural abundance' stop_ save_ save_sample_3 _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $Anthrax_Lethal_Factor_N-terminal 0.3 mM '[U-100% 13C; U-100% 15N; U-80% 2H]' D2O 10 % 'natural abundance' H2O 90 % 'natural abundance' Pi 50 mM 'natural abundance' stop_ save_ ############################ # Computer software used # ############################ save_TOPSPIN _Saveframe_category software _Name TOPSPIN _Version . loop_ _Vendor _Address _Electronic_address 'Bruker Biospin' . . stop_ loop_ _Task collection processing stop_ _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model Avance _Field_strength 600 _Details 'equipped with Cryoprobe' save_ save_spectrometer_2 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model Avance-III _Field_strength 700 _Details 'equipped with Cryoprobe' 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_1H-15N_NOESY_2 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-15N NOESY' _Sample_label $sample_1 save_ save_2D_1H-15N_HSQC_3 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-15N HSQC' _Sample_label $sample_2 save_ save_3D_HNCACB_4 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCACB' _Sample_label $sample_2 save_ save_3D_HNCA_5 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCA' _Sample_label $sample_2 save_ save_3D_HN(CO)CA_6 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HN(CO)CA' _Sample_label $sample_2 save_ save_3D_HNCO_7 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCO' _Sample_label $sample_2 save_ save_3D_HNHA_8 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNHA' _Sample_label $sample_2 save_ save_2D_1H-15N_HSQC_9 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-15N HSQC' _Sample_label $sample_3 save_ save_3D_CBCA(CO)NH_10 _Saveframe_category NMR_applied_experiment _Experiment_name '3D CBCA(CO)NH' _Sample_label $sample_3 save_ save_3D_HNCACB_11 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCACB' _Sample_label $sample_3 save_ save_3D_HNCO_12 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCO' _Sample_label $sample_3 save_ save_3D_HN(CO)CA_13 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HN(CO)CA' _Sample_label $sample_3 save_ save_3D_HCACO_14 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HCACO' _Sample_label $sample_3 save_ save_3D_HCCH-TOCSY_15 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HCCH-TOCSY' _Sample_label $sample_2 save_ save_3D_HNHA_16 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNHA' _Sample_label $sample_2 save_ save_2D_1H-15N_HSQC_17 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-15N HSQC' _Sample_label $sample_4-8 save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Saveframe_category sample_conditions _Details . loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units 'ionic strength' 50 . mM pH 7.2 . 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_ _Software_label $TOPSPIN stop_ loop_ _Experiment_label '2D 1H-15N HSQC' '3D 1H-15N NOESY' '3D HNCACB' '3D HNCA' '3D HN(CO)CA' '3D HNCO' '3D HNHA' '3D CBCA(CO)NH' '3D HCACO' '3D HCCH-TOCSY' stop_ loop_ _Sample_label $sample_1 $sample_2 $sample_3 $sample_4-8 stop_ _Sample_conditions_label $sample_conditions_1 _Chem_shift_reference_set_label $chemical_shift_reference_1 _Mol_system_component_name 'Anthrax Lethal Factor N-terminal' _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 28 3 ARG H H 9.103 0.020 1 2 28 3 ARG HA H 4.379 0.020 1 3 28 3 ARG C C 175.859 0.3 1 4 28 3 ARG CA C 54.911 0.3 1 5 28 3 ARG CB C 29.148 0.3 1 6 28 3 ARG N N 132.204 0.3 1 7 29 4 ASN H H 7.776 0.020 1 8 29 4 ASN HA H 3.787 0.020 1 9 29 4 ASN C C 174.290 0.3 1 10 29 4 ASN CA C 54.764 0.3 1 11 29 4 ASN CB C 33.928 0.3 1 12 29 4 ASN N N 123.232 0.3 1 13 30 5 LYS H H 7.711 0.020 1 14 30 5 LYS CA C 56.770 0.3 1 15 30 5 LYS CB C 31.424 0.3 1 16 30 5 LYS N N 112.793 0.3 1 17 31 6 THR H H 8.280 0.020 1 18 31 6 THR HA H 4.272 0.020 1 19 31 6 THR C C 175.941 0.3 1 20 31 6 THR CA C 62.801 0.3 1 21 31 6 THR CB C 69.215 0.3 1 22 31 6 THR N N 115.490 0.3 1 23 32 7 GLN H H 8.556 0.020 1 24 32 7 GLN HA H 4.249 0.020 1 25 32 7 GLN HB2 H 2.073 0.020 1 26 32 7 GLN HB3 H 2.073 0.020 1 27 32 7 GLN HG2 H 2.460 0.020 1 28 32 7 GLN HG3 H 2.460 0.020 1 29 32 7 GLN C C 178.418 0.3 1 30 32 7 GLN CA C 57.994 0.3 1 31 32 7 GLN CB C 27.478 0.3 1 32 32 7 GLN N N 122.799 0.3 1 33 33 8 GLU H H 8.576 0.020 1 34 33 8 GLU HA H 4.126 0.020 1 35 33 8 GLU HB2 H 2.172 0.020 1 36 33 8 GLU HB3 H 2.172 0.020 1 37 33 8 GLU HG2 H 2.299 0.020 1 38 33 8 GLU HG3 H 2.299 0.020 1 39 33 8 GLU C C 178.721 0.3 1 40 33 8 GLU CA C 59.058 0.3 1 41 33 8 GLU CB C 28.465 0.3 1 42 33 8 GLU N N 121.524 0.3 1 43 34 9 GLU H H 8.140 0.020 1 44 34 9 GLU HA H 4.057 0.020 1 45 34 9 GLU HB2 H 2.170 0.020 1 46 34 9 GLU HB3 H 2.170 0.020 1 47 34 9 GLU HG2 H 2.383 0.020 1 48 34 9 GLU HG3 H 2.383 0.020 1 49 34 9 GLU C C 179.147 0.3 1 50 34 9 GLU CA C 58.464 0.3 1 51 34 9 GLU CB C 29.347 0.3 1 52 34 9 GLU N N 120.155 0.3 1 53 35 10 HIS H H 8.298 0.020 1 54 35 10 HIS HA H 4.310 0.020 1 55 35 10 HIS HB2 H 3.208 0.020 1 56 35 10 HIS HB3 H 3.208 0.020 1 57 35 10 HIS C C 177.111 0.3 1 58 35 10 HIS CA C 58.251 0.3 1 59 35 10 HIS CB C 28.920 0.3 1 60 35 10 HIS N N 120.413 0.3 1 61 36 11 LEU H H 8.181 0.020 1 62 36 11 LEU HA H 4.126 0.020 1 63 36 11 LEU HB2 H 1.820 0.020 1 64 36 11 LEU HB3 H 1.820 0.020 1 65 36 11 LEU C C 178.721 0.3 1 66 36 11 LEU CA C 57.443 0.3 1 67 36 11 LEU CB C 40.227 0.3 1 68 36 11 LEU N N 120.878 0.3 1 69 37 12 LYS H H 7.873 0.020 1 70 37 12 LYS HA H 4.145 0.020 1 71 37 12 LYS HB2 H 1.880 0.020 1 72 37 12 LYS HB3 H 1.880 0.020 1 73 37 12 LYS C C 179.560 0.3 1 74 37 12 LYS CA C 59.168 0.3 1 75 37 12 LYS CB C 31.121 0.3 1 76 37 12 LYS N N 118.317 0.3 1 77 38 13 GLU H H 7.730 0.020 1 78 38 13 GLU HA H 3.977 0.020 1 79 38 13 GLU HB2 H 2.178 0.020 1 80 38 13 GLU HB3 H 2.178 0.020 1 81 38 13 GLU C C 178.955 0.3 1 82 38 13 GLU CA C 58.721 0.3 1 83 38 13 GLU CB C 28.389 0.3 1 84 38 13 GLU N N 120.357 0.3 1 85 39 14 ILE H H 8.012 0.020 1 86 39 14 ILE HA H 4.544 0.020 1 87 39 14 ILE HB H 1.904 0.020 1 88 39 14 ILE HG12 H 0.883 0.020 1 89 39 14 ILE HG13 H 0.883 0.020 1 90 39 14 ILE HG2 H 0.615 0.020 1 91 39 14 ILE C C 178.995 0.3 1 92 39 14 ILE CA C 64.085 0.3 1 93 39 14 ILE CB C 37.040 0.3 1 94 39 14 ILE N N 120.585 0.3 1 95 40 15 MET H H 8.436 0.020 1 96 40 15 MET HA H 4.145 0.020 1 97 40 15 MET C C 177.909 0.3 1 98 40 15 MET CA C 58.691 0.3 1 99 40 15 MET CB C 30.969 0.3 1 100 40 15 MET N N 118.612 0.3 1 101 41 16 LYS H H 7.666 0.020 1 102 41 16 LYS HA H 4.172 0.020 1 103 41 16 LYS HB2 H 2.043 0.020 1 104 41 16 LYS HB3 H 2.043 0.020 1 105 41 16 LYS HG2 H 1.374 0.020 1 106 41 16 LYS HG3 H 1.374 0.020 1 107 41 16 LYS HD2 H 1.746 0.020 1 108 41 16 LYS HD3 H 1.746 0.020 1 109 41 16 LYS C C 178.322 0.3 1 110 41 16 LYS CA C 56.452 0.3 1 111 41 16 LYS CB C 31.134 0.3 1 112 41 16 LYS N N 118.093 0.3 1 113 42 17 HIS H H 7.478 0.020 1 114 42 17 HIS HA H 4.290 0.020 1 115 42 17 HIS C C 178.912 0.3 1 116 42 17 HIS CA C 58.177 0.3 1 117 42 17 HIS CB C 27.858 0.3 1 118 42 17 HIS N N 118.088 0.3 1 119 43 18 ILE H H 7.338 0.020 1 120 43 18 ILE HA H 4.392 0.020 1 121 43 18 ILE HB H 1.875 0.020 1 122 43 18 ILE HG12 H 1.407 0.020 1 123 43 18 ILE HG13 H 1.407 0.020 1 124 43 18 ILE HD1 H 0.954 0.020 1 125 43 18 ILE C C 177.606 0.3 1 126 43 18 ILE CA C 66.470 0.3 1 127 43 18 ILE CB C 39.544 0.3 1 128 43 18 ILE N N 118.884 0.3 1 129 44 19 VAL H H 7.991 0.020 1 130 44 19 VAL HA H 3.993 0.020 1 131 44 19 VAL C C 175.198 0.3 1 132 44 19 VAL CA C 61.810 0.3 1 133 44 19 VAL CB C 30.514 0.3 1 134 44 19 VAL N N 122.237 0.3 1 135 45 20 LYS H H 9.115 0.020 1 136 45 20 LYS HA H 4.612 0.020 1 137 45 20 LYS C C 174.606 0.3 1 138 45 20 LYS CA C 53.664 0.3 1 139 45 20 LYS CB C 32.714 0.3 1 140 45 20 LYS N N 130.647 0.3 1 141 46 21 ILE H H 8.772 0.020 1 142 46 21 ILE HA H 4.612 0.020 1 143 46 21 ILE HB H 1.916 0.020 1 144 46 21 ILE HG12 H 1.476 0.020 1 145 46 21 ILE HG13 H 1.476 0.020 1 146 46 21 ILE HD1 H 0.733 0.020 1 147 46 21 ILE C C 175.707 0.3 1 148 46 21 ILE CA C 60.122 0.3 1 149 46 21 ILE CB C 36.660 0.3 1 150 46 21 ILE N N 125.819 0.3 1 151 47 22 GLU H H 8.949 0.020 1 152 47 22 GLU HA H 4.200 0.020 1 153 47 22 GLU C C 176.849 0.3 1 154 47 22 GLU CA C 55.829 0.3 1 155 47 22 GLU CB C 32.259 0.3 1 156 47 22 GLU N N 118.021 0.3 1 157 48 23 VAL H H 7.987 0.020 1 158 48 23 VAL HA H 4.175 0.020 1 159 48 23 VAL C C 176.739 0.3 1 160 48 23 VAL CA C 56.087 0.3 1 161 48 23 VAL CB C 28.938 0.3 1 162 48 23 VAL N N 115.060 0.3 1 163 49 24 LYS H H 7.239 0.020 1 164 49 24 LYS HA H 4.067 0.020 1 165 49 24 LYS C C 176.547 0.3 1 166 49 24 LYS CA C 54.857 0.3 1 167 49 24 LYS CB C 30.549 0.3 1 168 49 24 LYS N N 123.642 0.3 1 169 50 25 GLY H H 8.171 0.020 1 170 50 25 GLY HA2 H 4.035 0.020 2 171 50 25 GLY HA3 H 3.746 0.020 2 172 50 25 GLY C C 173.505 0.3 1 173 50 25 GLY CA C 44.416 0.3 1 174 50 25 GLY N N 111.452 0.3 1 175 51 26 GLU H H 8.646 0.020 1 176 51 26 GLU HA H 4.376 0.020 1 177 51 26 GLU HB2 H 2.070 0.020 1 178 51 26 GLU HB3 H 2.070 0.020 1 179 51 26 GLU C C 176.657 0.3 1 180 51 26 GLU CA C 56.085 0.3 1 181 51 26 GLU CB C 26.947 0.3 1 182 51 26 GLU N N 120.643 0.3 1 183 52 27 GLU H H 8.484 0.020 1 184 52 27 GLU HA H 4.021 0.020 1 185 52 27 GLU HB2 H 1.903 0.020 1 186 52 27 GLU HB3 H 1.903 0.020 1 187 52 27 GLU CA C 59.608 0.3 1 188 52 27 GLU CB C 27.098 0.3 1 189 52 27 GLU N N 119.910 0.3 1 190 54 29 VAL C C 178.860 0.3 1 191 54 29 VAL CA C 65.876 0.3 1 192 54 29 VAL CB C 31.652 0.3 1 193 55 30 LYS H H 8.671 0.020 1 194 55 30 LYS HA H 4.323 0.020 1 195 55 30 LYS C C 177.372 0.3 1 196 55 30 LYS CA C 56.893 0.3 1 197 55 30 LYS CB C 27.239 0.3 1 198 55 30 LYS N N 116.430 0.3 1 199 56 31 LYS H H 8.478 0.020 1 200 56 31 LYS HA H 4.007 0.020 1 201 56 31 LYS HB2 H 1.875 0.020 1 202 56 31 LYS HB3 H 1.875 0.020 1 203 56 31 LYS C C 176.024 0.3 1 204 56 31 LYS CA C 58.656 0.3 1 205 56 31 LYS CB C 29.451 0.3 1 206 56 31 LYS N N 118.787 0.3 1 207 57 32 GLU H H 8.144 0.020 1 208 57 32 GLU HA H 4.200 0.020 1 209 57 32 GLU HB2 H 1.999 0.020 1 210 57 32 GLU HB3 H 1.999 0.020 1 211 57 32 GLU HG2 H 2.246 0.020 1 212 57 32 GLU HG3 H 2.246 0.020 1 213 57 32 GLU CA C 53.507 0.3 1 214 57 32 GLU CB C 28.465 0.3 1 215 57 32 GLU N N 119.260 0.3 1 216 59 34 ALA H H 7.393 0.020 1 217 59 34 ALA HA H 3.856 0.020 1 218 59 34 ALA CA C 51.382 0.3 1 219 59 34 ALA CB C 22.166 0.3 1 220 59 34 ALA N N 116.785 0.3 1 221 60 35 GLU H H 6.400 0.020 1 222 60 35 GLU CA C 59.021 0.3 1 223 60 35 GLU CB C 27.478 0.3 1 224 60 35 GLU N N 112.199 0.3 1 225 61 36 LYS H H 9.123 0.020 1 226 61 36 LYS HA H 4.516 0.020 1 227 61 36 LYS HB2 H 2.260 0.020 1 228 61 36 LYS HB3 H 2.260 0.020 1 229 61 36 LYS C C 176.629 0.3 1 230 61 36 LYS CA C 55.425 0.3 1 231 61 36 LYS CB C 32.638 0.3 1 232 61 36 LYS N N 123.804 0.3 1 233 62 37 LEU C C 177.605 0.3 1 234 62 37 LEU CA C 58.580 0.3 1 235 62 37 LEU CB C 39.999 0.3 1 236 63 38 LEU H H 8.083 0.020 1 237 63 38 LEU HA H 4.158 0.020 1 238 63 38 LEU C C 178.363 0.3 1 239 63 38 LEU CA C 59.388 0.3 1 240 63 38 LEU CB C 37.343 0.3 1 241 63 38 LEU N N 118.848 0.3 1 242 65 40 LYS C C 176.934 0.3 1 243 65 40 LYS CA C 55.712 0.3 1 244 65 40 LYS CB C 31.424 0.3 1 245 66 41 VAL H H 7.589 0.020 1 246 66 41 VAL HA H 4.213 0.020 1 247 66 41 VAL HB H 2.164 0.020 1 248 66 41 VAL HG1 H 0.912 0.020 1 249 66 41 VAL HG2 H 0.912 0.020 1 250 66 41 VAL C C 173.189 0.3 1 251 66 41 VAL CA C 59.792 0.3 1 252 66 41 VAL CB C 31.424 0.3 1 253 66 41 VAL N N 121.829 0.3 1 254 67 42 PRO C C 176.712 0.3 1 255 67 42 PRO CA C 69.222 0.3 1 256 67 42 PRO CB C 37.116 0.3 1 257 68 43 SER H H 7.639 0.020 1 258 68 43 SER HA H 4.037 0.020 1 259 68 43 SER HB2 H 2.356 0.020 1 260 68 43 SER HB3 H 2.356 0.020 1 261 68 43 SER CA C 60.342 0.3 1 262 68 43 SER N N 115.947 0.3 1 263 69 44 ASP H H 8.239 0.020 1 264 69 44 ASP HA H 4.103 0.020 1 265 69 44 ASP CA C 54.493 0.3 1 266 69 44 ASP CB C 40.075 0.3 1 267 69 44 ASP N N 127.589 0.3 1 268 70 45 VAL H H 7.967 0.020 1 269 70 45 VAL HA H 3.828 0.020 1 270 70 45 VAL C C 175.184 0.3 1 271 70 45 VAL CA C 58.250 0.3 1 272 70 45 VAL CB C 30.438 0.3 1 273 70 45 VAL N N 122.170 0.3 1 274 71 46 LEU H H 7.675 0.020 1 275 71 46 LEU HA H 4.145 0.020 1 276 71 46 LEU CA C 57.296 0.3 1 277 71 46 LEU CB C 42.200 0.3 1 278 71 46 LEU N N 127.557 0.3 1 279 72 47 GLU H H 8.565 0.020 1 280 72 47 GLU C C 179.546 0.3 1 281 72 47 GLU CA C 59.351 0.3 1 282 72 47 GLU CB C 28.692 0.3 1 283 72 47 GLU N N 119.515 0.3 1 284 73 48 MET H H 6.837 0.020 1 285 73 48 MET CA C 59.131 0.3 1 286 73 48 MET CB C 33.397 0.3 1 287 73 48 MET N N 112.824 0.3 1 288 74 49 TYR H H 8.488 0.020 1 289 74 49 TYR C C 177.551 0.3 1 290 74 49 TYR CA C 55.386 0.3 1 291 74 49 TYR CB C 39.322 0.3 1 292 74 49 TYR N N 117.082 0.3 1 293 75 50 LYS H H 7.452 0.020 1 294 75 50 LYS HA H 4.100 0.020 1 295 75 50 LYS C C 176.226 0.3 1 296 75 50 LYS CA C 55.462 0.3 1 297 75 50 LYS CB C 31.197 0.3 1 298 75 50 LYS N N 118.790 0.3 1 299 76 51 ALA H H 8.348 0.020 1 300 76 51 ALA C C 178.776 0.3 1 301 76 51 ALA CA C 54.911 0.3 1 302 76 51 ALA CB C 17.461 0.3 1 303 76 51 ALA N N 121.471 0.3 1 304 77 52 ILE H H 7.270 0.020 1 305 77 52 ILE HA H 4.378 0.020 1 306 77 52 ILE C C 175.299 0.3 1 307 77 52 ILE CA C 60.856 0.3 1 308 77 52 ILE CB C 36.660 0.3 1 309 77 52 ILE N N 110.572 0.3 1 310 78 53 GLY H H 7.801 0.020 1 311 78 53 GLY HA2 H 4.027 0.020 2 312 78 53 GLY HA3 H 3.613 0.020 2 313 78 53 GLY C C 175.243 0.3 1 314 78 53 GLY CA C 45.130 0.3 1 315 78 53 GLY N N 109.255 0.3 1 316 79 54 GLY H H 7.880 0.020 1 317 79 54 GLY HA2 H 4.021 0.020 2 318 79 54 GLY HA3 H 3.622 0.020 2 319 79 54 GLY CA C 44.380 0.3 1 320 79 54 GLY N N 108.738 0.3 1 321 81 56 ILE C C 173.657 0.3 1 322 81 56 ILE CA C 59.828 0.3 1 323 81 56 ILE CB C 39.240 0.3 1 324 82 57 TYR H H 9.318 0.020 1 325 82 57 TYR HA H 5.118 0.020 1 326 82 57 TYR C C 174.180 0.3 1 327 82 57 TYR CA C 56.049 0.3 1 328 82 57 TYR CB C 39.772 0.3 1 329 82 57 TYR N N 126.700 0.3 1 330 83 58 ILE H H 8.453 0.020 1 331 83 58 ILE HB H 1.820 0.020 1 332 83 58 ILE C C 175.570 0.3 1 333 83 58 ILE CA C 58.324 0.3 1 334 83 58 ILE CB C 36.129 0.3 1 335 83 58 ILE N N 124.392 0.3 1 336 84 59 VAL H H 8.335 0.020 1 337 84 59 VAL HA H 4.138 0.020 1 338 84 59 VAL C C 174.882 0.3 1 339 84 59 VAL CA C 57.810 0.3 1 340 84 59 VAL CB C 33.719 0.3 1 341 84 59 VAL N N 118.961 0.3 1 342 85 60 ASP H H 8.387 0.020 1 343 85 60 ASP HA H 4.435 0.020 1 344 85 60 ASP HB2 H 2.659 0.020 1 345 85 60 ASP HB3 H 2.659 0.020 1 346 85 60 ASP C C 177.290 0.3 1 347 85 60 ASP CA C 52.856 0.3 1 348 85 60 ASP CB C 42.200 0.3 1 349 85 60 ASP N N 122.268 0.3 1 350 86 61 GLY H H 8.705 0.020 1 351 86 61 GLY HA2 H 3.944 0.020 1 352 86 61 GLY HA3 H 3.944 0.020 1 353 86 61 GLY C C 173.024 0.3 1 354 86 61 GLY CA C 45.370 0.3 1 355 86 61 GLY N N 109.922 0.3 1 356 87 62 ASP H H 7.880 0.020 1 357 87 62 ASP HA H 4.131 0.020 1 358 87 62 ASP C C 180.248 0.3 1 359 87 62 ASP CA C 52.673 0.3 1 360 87 62 ASP CB C 40.075 0.3 1 361 87 62 ASP N N 120.954 0.3 1 362 88 63 ILE H H 9.366 0.020 1 363 88 63 ILE HA H 4.389 0.020 1 364 88 63 ILE C C 177.042 0.3 1 365 88 63 ILE CA C 64.562 0.3 1 366 88 63 ILE CB C 36.053 0.3 1 367 88 63 ILE N N 127.988 0.3 1 368 89 64 THR H H 8.523 0.020 1 369 89 64 THR C C 175.281 0.3 1 370 89 64 THR CA C 63.351 0.3 1 371 89 64 THR CB C 67.470 0.3 1 372 89 64 THR N N 109.577 0.3 1 373 90 65 LYS H H 7.393 0.020 1 374 90 65 LYS HA H 4.131 0.020 1 375 90 65 LYS C C 177.070 0.3 1 376 90 65 LYS CA C 54.911 0.3 1 377 90 65 LYS CB C 30.741 0.3 1 378 90 65 LYS N N 118.638 0.3 1 379 91 66 HIS H H 7.488 0.020 1 380 91 66 HIS C C 176.615 0.3 1 381 91 66 HIS CA C 58.728 0.3 1 382 91 66 HIS CB C 30.969 0.3 1 383 91 66 HIS N N 121.356 0.3 1 384 92 67 ILE H H 6.906 0.020 1 385 92 67 ILE CA C 65.149 0.3 1 386 92 67 ILE N N 113.614 0.3 1 387 93 68 SER H H 7.713 0.020 1 388 93 68 SER CA C 58.001 0.3 1 389 93 68 SER CB C 62.799 0.3 1 390 93 68 SER N N 114.710 0.3 1 391 94 69 LEU H H 8.144 0.020 1 392 94 69 LEU HA H 4.287 0.020 1 393 94 69 LEU C C 177.895 0.3 1 394 94 69 LEU CA C 55.168 0.3 1 395 94 69 LEU CB C 40.910 0.3 1 396 94 69 LEU N N 124.274 0.3 1 397 95 70 GLU H H 9.133 0.020 1 398 95 70 GLU CA C 57.003 0.3 1 399 95 70 GLU CB C 28.692 0.3 1 400 95 70 GLU N N 121.099 0.3 1 401 96 71 ALA H H 8.294 0.020 1 402 96 71 ALA HA H 4.131 0.020 1 403 96 71 ALA C C 177.758 0.3 1 404 96 71 ALA CA C 51.242 0.3 1 405 96 71 ALA CB C 17.537 0.3 1 406 96 71 ALA N N 120.990 0.3 1 407 97 72 LEU H H 7.335 0.020 1 408 97 72 LEU HA H 4.326 0.020 1 409 97 72 LEU C C 177.386 0.3 1 410 97 72 LEU CA C 55.278 0.3 1 411 97 72 LEU CB C 41.972 0.3 1 412 97 72 LEU N N 121.347 0.3 1 413 98 73 SER H H 7.572 0.020 1 414 98 73 SER HA H 4.627 0.020 1 415 98 73 SER CA C 65.334 0.3 1 416 98 73 SER N N 111.622 0.3 1 417 99 74 GLU H H 8.425 0.020 1 418 99 74 GLU HA H 4.381 0.020 1 419 99 74 GLU CA C 56.636 0.3 1 420 99 74 GLU N N 121.879 0.3 1 421 100 75 ASP H H 7.947 0.020 1 422 100 75 ASP HA H 4.230 0.020 1 423 100 75 ASP C C 176.326 0.3 1 424 100 75 ASP CA C 54.654 0.3 1 425 100 75 ASP CB C 41.062 0.3 1 426 100 75 ASP N N 117.121 0.3 1 427 101 76 LYS H H 7.723 0.020 1 428 101 76 LYS HA H 4.319 0.020 1 429 101 76 LYS C C 181.335 0.3 1 430 101 76 LYS CA C 57.223 0.3 1 431 101 76 LYS CB C 32.638 0.3 1 432 101 76 LYS N N 127.965 0.3 1 433 102 77 LYS H H 7.614 0.020 1 434 102 77 LYS C C 176.836 0.3 1 435 102 77 LYS CA C 59.046 0.3 1 436 102 77 LYS CB C 33.701 0.3 1 437 102 77 LYS N N 114.521 0.3 1 438 103 78 LYS H H 6.608 0.020 1 439 103 78 LYS HA H 4.026 0.020 1 440 103 78 LYS C C 176.959 0.3 1 441 103 78 LYS CA C 55.755 0.3 1 442 103 78 LYS CB C 31.652 0.3 1 443 103 78 LYS N N 115.327 0.3 1 444 104 79 ILE H H 8.392 0.020 1 445 104 79 ILE HA H 4.158 0.020 1 446 104 79 ILE C C 175.160 0.3 1 447 104 79 ILE CA C 58.250 0.3 1 448 104 79 ILE CB C 41.365 0.3 1 449 104 79 ILE N N 119.348 0.3 1 450 105 80 LYS H H 8.067 0.020 1 451 105 80 LYS HA H 4.062 0.020 1 452 105 80 LYS C C 176.836 0.3 1 453 105 80 LYS CA C 53.957 0.3 1 454 105 80 LYS CB C 35.370 0.3 1 455 105 80 LYS N N 120.142 0.3 1 456 106 81 ASP H H 8.448 0.020 1 457 106 81 ASP C C 178.044 0.3 1 458 106 81 ASP CA C 51.939 0.3 1 459 106 81 ASP CB C 40.454 0.3 1 460 106 81 ASP N N 123.918 0.3 1 461 107 82 ILE H H 8.076 0.020 1 462 107 82 ILE HA H 4.062 0.020 1 463 107 82 ILE C C 174.689 0.3 1 464 107 82 ILE CA C 63.498 0.3 1 465 107 82 ILE CB C 36.812 0.3 1 466 107 82 ILE N N 118.396 0.3 1 467 108 83 TYR H H 7.480 0.020 1 468 108 83 TYR HA H 4.381 0.020 1 469 108 83 TYR C C 176.560 0.3 1 470 108 83 TYR CA C 56.966 0.3 1 471 108 83 TYR CB C 37.040 0.3 1 472 108 83 TYR N N 120.053 0.3 1 473 109 84 GLY H H 8.315 0.020 1 474 109 84 GLY HA2 H 4.200 0.020 1 475 109 84 GLY HA3 H 4.200 0.020 1 476 109 84 GLY C C 173.946 0.3 1 477 109 84 GLY CA C 45.077 0.3 1 478 109 84 GLY N N 109.937 0.3 1 479 110 85 LYS H H 8.478 0.020 1 480 110 85 LYS HA H 4.186 0.020 1 481 110 85 LYS C C 176.244 0.3 1 482 110 85 LYS CA C 55.058 0.3 1 483 110 85 LYS CB C 31.272 0.3 1 484 110 85 LYS N N 124.026 0.3 1 485 111 86 ASP H H 8.209 0.020 1 486 111 86 ASP HA H 4.292 0.020 1 487 111 86 ASP C C 176.189 0.3 1 488 111 86 ASP CA C 54.801 0.3 1 489 111 86 ASP CB C 41.365 0.3 1 490 111 86 ASP N N 122.792 0.3 1 491 112 87 ALA H H 8.724 0.020 1 492 112 87 ALA HA H 4.571 0.020 1 493 112 87 ALA C C 175.418 0.3 1 494 112 87 ALA CA C 50.581 0.3 1 495 112 87 ALA CB C 20.193 0.3 1 496 112 87 ALA N N 125.008 0.3 1 497 113 88 LEU H H 8.505 0.020 1 498 113 88 LEU HA H 4.349 0.020 1 499 113 88 LEU C C 179.780 0.3 1 500 113 88 LEU CA C 52.793 0.3 1 501 113 88 LEU CB C 41.137 0.3 1 502 113 88 LEU N N 122.054 0.3 1 503 114 89 LEU H H 8.809 0.020 1 504 114 89 LEU HA H 4.117 0.020 1 505 114 89 LEU C C 177.551 0.3 1 506 114 89 LEU CA C 57.957 0.3 1 507 114 89 LEU CB C 40.910 0.3 1 508 114 89 LEU N N 124.259 0.3 1 509 115 90 HIS H H 8.037 0.020 1 510 115 90 HIS C C 175.982 0.3 1 511 115 90 HIS CA C 57.773 0.3 1 512 115 90 HIS CB C 28.616 0.3 1 513 115 90 HIS N N 112.314 0.3 1 514 116 91 GLU H H 8.212 0.020 1 515 116 91 GLU HA H 4.186 0.020 1 516 116 91 GLU HB2 H 2.109 0.020 1 517 116 91 GLU HB3 H 2.109 0.020 1 518 116 91 GLU HG2 H 1.586 0.020 1 519 116 91 GLU HG3 H 1.586 0.020 1 520 116 91 GLU CA C 61.076 0.3 1 521 116 91 GLU N N 120.342 0.3 1 522 117 92 HIS H H 6.804 0.020 1 523 117 92 HIS CA C 54.214 0.3 1 524 117 92 HIS CB C 33.094 0.3 1 525 117 92 HIS N N 112.804 0.3 1 526 118 93 TYR H H 6.744 0.020 1 527 118 93 TYR CA C 55.498 0.3 1 528 118 93 TYR N N 112.201 0.3 1 529 119 94 VAL H H 6.484 0.020 1 530 119 94 VAL C C 171.689 0.3 1 531 119 94 VAL CA C 59.388 0.3 1 532 119 94 VAL CB C 31.045 0.3 1 533 119 94 VAL N N 118.978 0.3 1 534 120 95 TYR H H 8.514 0.020 1 535 120 95 TYR CA C 58.361 0.3 1 536 120 95 TYR CB C 41.972 0.3 1 537 120 95 TYR N N 124.588 0.3 1 538 121 96 ALA H H 8.075 0.020 1 539 121 96 ALA HA H 4.364 0.020 1 540 121 96 ALA HB H 1.077 0.020 1 541 121 96 ALA C C 174.606 0.3 1 542 121 96 ALA CA C 49.444 0.3 1 543 121 96 ALA CB C 19.510 0.3 1 544 121 96 ALA N N 131.066 0.3 1 545 122 97 LYS H H 6.973 0.020 1 546 122 97 LYS C C 176.148 0.3 1 547 122 97 LYS CA C 55.776 0.3 1 548 122 97 LYS N N 112.793 0.3 1 549 123 98 GLU H H 8.510 0.020 1 550 123 98 GLU HA H 3.988 0.020 1 551 123 98 GLU C C 175.900 0.3 1 552 123 98 GLU CA C 55.572 0.3 1 553 123 98 GLU CB C 30.134 0.3 1 554 123 98 GLU N N 128.154 0.3 1 555 124 99 GLY H H 8.381 0.020 1 556 124 99 GLY HA2 H 3.576 0.020 1 557 124 99 GLY HA3 H 3.576 0.020 1 558 124 99 GLY C C 173.120 0.3 1 559 124 99 GLY CA C 44.097 0.3 1 560 124 99 GLY N N 110.325 0.3 1 561 125 100 TYR H H 8.092 0.020 1 562 125 100 TYR HA H 4.076 0.020 1 563 125 100 TYR C C 176.313 0.3 1 564 125 100 TYR CA C 58.743 0.3 1 565 125 100 TYR CB C 37.267 0.3 1 566 125 100 TYR N N 120.527 0.3 1 567 126 101 GLU H H 8.001 0.020 1 568 126 101 GLU HA H 4.035 0.020 1 569 126 101 GLU C C 173.299 0.3 1 570 126 101 GLU CA C 53.810 0.3 1 571 126 101 GLU CB C 28.313 0.3 1 572 126 101 GLU N N 120.152 0.3 1 573 127 102 PRO CA C 62.940 0.3 1 574 127 102 PRO CB C 31.652 0.3 1 575 128 103 VAL H H 9.026 0.020 1 576 128 103 VAL HA H 4.305 0.020 1 577 128 103 VAL C C 178.716 0.3 1 578 128 103 VAL CA C 62.561 0.3 1 579 128 103 VAL N N 122.691 0.3 1 580 129 104 LEU H H 8.223 0.020 1 581 129 104 LEU CA C 55.100 0.3 1 582 129 104 LEU CB C 41.137 0.3 1 583 129 104 LEU N N 124.305 0.3 1 584 130 105 VAL H H 9.068 0.020 1 585 130 105 VAL HA H 4.319 0.020 1 586 130 105 VAL C C 174.317 0.3 1 587 130 105 VAL CA C 61.039 0.3 1 588 130 105 VAL CB C 32.259 0.3 1 589 130 105 VAL N N 128.066 0.3 1 590 131 106 ILE H H 9.089 0.020 1 591 131 106 ILE HA H 4.780 0.020 1 592 131 106 ILE C C 174.785 0.3 1 593 131 106 ILE CA C 58.984 0.3 1 594 131 106 ILE CB C 40.606 0.3 1 595 131 106 ILE N N 125.710 0.3 1 596 132 107 GLN H H 8.998 0.020 1 597 132 107 GLN C C 176.891 0.3 1 598 132 107 GLN CA C 54.874 0.3 1 599 132 107 GLN CB C 31.576 0.3 1 600 132 107 GLN N N 127.585 0.3 1 601 133 108 SER H H 9.553 0.020 1 602 133 108 SER HA H 4.599 0.020 1 603 133 108 SER CA C 58.214 0.3 1 604 133 108 SER CB C 62.916 0.3 1 605 133 108 SER N N 126.164 0.3 1 606 134 109 SER H H 7.066 0.020 1 607 134 109 SER HA H 4.530 0.020 1 608 134 109 SER CA C 65.117 0.3 1 609 134 109 SER CB C 67.545 0.3 1 610 134 109 SER N N 113.944 0.3 1 611 135 110 GLU H H 7.843 0.020 1 612 135 110 GLU HA H 4.048 0.020 1 613 135 110 GLU CA C 57.443 0.3 1 614 135 110 GLU CB C 32.335 0.3 1 615 135 110 GLU N N 122.716 0.3 1 616 136 111 ASP H H 6.970 0.020 1 617 136 111 ASP CA C 55.252 0.3 1 618 136 111 ASP CB C 37.723 0.3 1 619 136 111 ASP N N 114.018 0.3 1 620 137 112 TYR H H 7.127 0.020 1 621 137 112 TYR CA C 56.846 0.3 1 622 137 112 TYR CB C 37.191 0.3 1 623 137 112 TYR N N 114.701 0.3 1 624 138 113 VAL H H 7.308 0.020 1 625 138 113 VAL CA C 65.782 0.3 1 626 138 113 VAL CB C 33.777 0.3 1 627 138 113 VAL N N 122.648 0.3 1 628 139 114 GLU H H 7.749 0.020 1 629 139 114 GLU CA C 57.053 0.3 1 630 139 114 GLU CB C 27.250 0.3 1 631 139 114 GLU N N 114.486 0.3 1 632 140 115 ASN H H 7.913 0.020 1 633 140 115 ASN HA H 4.035 0.020 1 634 140 115 ASN CA C 51.535 0.3 1 635 140 115 ASN CB C 36.660 0.3 1 636 140 115 ASN N N 119.177 0.3 1 637 141 116 THR H H 8.055 0.020 1 638 141 116 THR HA H 4.255 0.020 1 639 141 116 THR CA C 64.672 0.3 1 640 141 116 THR CB C 68.228 0.3 1 641 141 116 THR N N 116.810 0.3 1 642 142 117 GLU H H 8.131 0.020 1 643 142 117 GLU HA H 4.144 0.020 1 644 142 117 GLU C C 179.092 0.3 1 645 142 117 GLU CA C 58.728 0.3 1 646 142 117 GLU CB C 28.692 0.3 1 647 142 117 GLU N N 122.112 0.3 1 648 143 118 LYS H H 7.465 0.020 1 649 143 118 LYS HA H 4.310 0.020 1 650 143 118 LYS C C 178.858 0.3 1 651 143 118 LYS CA C 58.434 0.3 1 652 143 118 LYS CB C 31.348 0.3 1 653 143 118 LYS N N 120.960 0.3 1 654 144 119 ALA H H 7.588 0.020 1 655 144 119 ALA HA H 4.090 0.020 1 656 144 119 ALA C C 177.634 0.3 1 657 144 119 ALA CA C 55.205 0.3 1 658 144 119 ALA CB C 17.158 0.3 1 659 144 119 ALA N N 121.008 0.3 1 660 145 120 LEU H H 8.163 0.020 1 661 145 120 LEU HA H 4.241 0.020 1 662 145 120 LEU C C 178.624 0.3 1 663 145 120 LEU CA C 57.959 0.3 1 664 145 120 LEU CB C 41.669 0.3 1 665 145 120 LEU N N 115.856 0.3 1 666 146 121 ASN H H 7.448 0.020 1 667 146 121 ASN HA H 4.433 0.020 1 668 146 121 ASN C C 177.730 0.3 1 669 146 121 ASN CA C 57.370 0.3 1 670 146 121 ASN CB C 40.151 0.3 1 671 146 121 ASN N N 115.883 0.3 1 672 147 122 VAL H H 8.048 0.020 1 673 147 122 VAL HA H 4.255 0.020 1 674 147 122 VAL C C 178.005 0.3 1 675 147 122 VAL CA C 66.911 0.3 1 676 147 122 VAL CB C 29.299 0.3 1 677 147 122 VAL N N 121.281 0.3 1 678 148 123 TYR H H 8.347 0.020 1 679 148 123 TYR HA H 4.777 0.020 1 680 148 123 TYR C C 177.909 0.3 1 681 148 123 TYR CA C 58.691 0.3 1 682 148 123 TYR CB C 35.825 0.3 1 683 148 123 TYR N N 118.588 0.3 1 684 149 124 TYR H H 7.538 0.020 1 685 149 124 TYR HA H 4.131 0.020 1 686 149 124 TYR C C 177.689 0.3 1 687 149 124 TYR CA C 61.166 0.3 1 688 149 124 TYR CB C 37.647 0.3 1 689 149 124 TYR N N 119.593 0.3 1 690 150 125 GLU H H 7.505 0.020 1 691 150 125 GLU C C 177.180 0.3 1 692 150 125 GLU CA C 58.177 0.3 1 693 150 125 GLU CB C 31.283 0.3 1 694 150 125 GLU N N 115.981 0.3 1 695 151 126 ILE H H 7.460 0.020 1 696 151 126 ILE C C 177.262 0.3 1 697 151 126 ILE CA C 64.055 0.3 1 698 151 126 ILE CB C 39.164 0.3 1 699 151 126 ILE N N 113.313 0.3 1 700 152 127 GLY H H 8.956 0.020 1 701 152 127 GLY C C 175.435 0.3 1 702 152 127 GLY CA C 47.242 0.3 1 703 152 127 GLY N N 110.466 0.3 1 704 153 128 LYS H H 8.015 0.020 1 705 153 128 LYS HA H 4.172 0.020 1 706 153 128 LYS C C 178.624 0.3 1 707 153 128 LYS CA C 59.572 0.3 1 708 153 128 LYS N N 123.800 0.3 1 709 154 129 ILE H H 7.972 0.020 1 710 154 129 ILE HA H 4.131 0.020 1 711 154 129 ILE CA C 61.079 0.3 1 712 154 129 ILE CB C 38.330 0.3 1 713 154 129 ILE N N 121.127 0.3 1 714 155 130 LEU H H 8.145 0.020 1 715 155 130 LEU HA H 4.351 0.020 1 716 155 130 LEU C C 177.205 0.3 1 717 155 130 LEU CA C 54.838 0.3 1 718 155 130 LEU CB C 41.365 0.3 1 719 155 130 LEU N N 123.568 0.3 1 720 156 131 SER H H 8.017 0.020 1 721 156 131 SER HA H 4.158 0.020 1 722 156 131 SER C C 175.776 0.3 1 723 156 131 SER CA C 57.627 0.3 1 724 156 131 SER CB C 63.372 0.3 1 725 156 131 SER N N 119.214 0.3 1 726 157 132 ARG H H 8.672 0.020 1 727 157 132 ARG HA H 4.319 0.020 1 728 157 132 ARG C C 178.913 0.3 1 729 157 132 ARG CA C 58.874 0.3 1 730 157 132 ARG CB C 28.541 0.3 1 731 157 132 ARG N N 121.744 0.3 1 732 158 133 ASP H H 8.247 0.020 1 733 158 133 ASP HA H 4.048 0.020 1 734 158 133 ASP C C 180.386 0.3 1 735 158 133 ASP CA C 56.489 0.3 1 736 158 133 ASP CB C 39.089 0.3 1 737 158 133 ASP N N 119.067 0.3 1 738 159 134 ILE H H 7.692 0.020 1 739 159 134 ILE HA H 4.255 0.020 1 740 159 134 ILE CA C 64.562 0.3 1 741 159 134 ILE N N 119.151 0.3 1 742 160 135 LEU H H 7.861 0.020 1 743 160 135 LEU HA H 4.337 0.020 1 744 160 135 LEU CA C 59.578 0.3 1 745 160 135 LEU CB C 41.365 0.3 1 746 160 135 LEU N N 114.719 0.3 1 747 161 136 SER H H 8.190 0.020 1 748 161 136 SER HA H 4.200 0.020 1 749 161 136 SER C C 176.684 0.3 1 750 161 136 SER CA C 57.884 0.3 1 751 161 136 SER CB C 62.765 0.3 1 752 161 136 SER N N 117.000 0.3 1 753 162 137 LYS H H 7.773 0.020 1 754 162 137 LYS HA H 3.870 0.020 1 755 162 137 LYS CA C 56.618 0.3 1 756 162 137 LYS CB C 37.267 0.3 1 757 162 137 LYS N N 115.901 0.3 1 758 163 138 ILE H H 6.988 0.020 1 759 163 138 ILE HA H 4.131 0.020 1 760 163 138 ILE CA C 69.163 0.3 1 761 163 138 ILE CB C 34.080 0.3 1 762 163 138 ILE N N 114.599 0.3 1 763 164 139 ASN H H 9.074 0.020 1 764 164 139 ASN HA H 4.364 0.020 1 765 164 139 ASN C C 179.092 0.3 1 766 164 139 ASN CA C 56.893 0.3 1 767 164 139 ASN CB C 39.620 0.3 1 768 164 139 ASN N N 119.734 0.3 1 769 167 142 TYR H H 8.437 0.020 1 770 167 142 TYR HA H 4.007 0.020 1 771 167 142 TYR CA C 52.783 0.3 1 772 167 142 TYR CB C 38.026 0.3 1 773 167 142 TYR N N 120.843 0.3 1 774 168 143 GLN H H 7.831 0.020 1 775 168 143 GLN HA H 3.760 0.020 1 776 168 143 GLN C C 180.001 0.3 1 777 168 143 GLN CA C 58.269 0.3 1 778 168 143 GLN CB C 27.630 0.3 1 779 168 143 GLN N N 119.603 0.3 1 780 169 144 LYS H H 8.450 0.020 1 781 169 144 LYS HA H 4.096 0.020 1 782 169 144 LYS CA C 55.755 0.3 1 783 169 144 LYS CB C 29.527 0.3 1 784 169 144 LYS N N 126.760 0.3 1 785 170 145 PHE H H 8.258 0.020 1 786 170 145 PHE HA H 4.021 0.020 1 787 170 145 PHE CA C 54.691 0.3 1 788 170 145 PHE CB C 31.955 0.3 1 789 170 145 PHE N N 123.712 0.3 1 790 171 146 LEU H H 8.472 0.020 1 791 171 146 LEU HA H 4.096 0.020 1 792 171 146 LEU HB2 H 1.865 0.020 1 793 171 146 LEU HB3 H 1.865 0.020 1 794 171 146 LEU HG H 1.493 0.020 1 795 171 146 LEU CA C 55.404 0.3 1 796 171 146 LEU N N 127.478 0.3 1 797 172 147 ASP H H 7.584 0.020 1 798 172 147 ASP HA H 4.647 0.020 1 799 172 147 ASP CA C 52.856 0.3 1 800 172 147 ASP CB C 38.937 0.3 1 801 172 147 ASP N N 113.040 0.3 1 802 173 148 VAL H H 7.832 0.020 1 803 173 148 VAL C C 174.414 0.3 1 804 173 148 VAL CA C 58.515 0.3 1 805 173 148 VAL CB C 34.839 0.3 1 806 173 148 VAL N N 110.901 0.3 1 807 174 149 LEU H H 7.089 0.020 1 808 174 149 LEU CA C 55.131 0.3 1 809 174 149 LEU N N 115.438 0.3 1 810 175 150 ASN H H 7.089 0.020 1 811 175 150 ASN CA C 56.390 0.3 1 812 175 150 ASN CB C 37.040 0.3 1 813 175 150 ASN N N 115.935 0.3 1 814 176 151 THR H H 8.220 0.020 1 815 176 151 THR HA H 4.158 0.020 1 816 176 151 THR CA C 66.397 0.3 1 817 176 151 THR CB C 67.621 0.3 1 818 176 151 THR N N 119.362 0.3 1 819 177 152 ILE H H 7.950 0.020 1 820 177 152 ILE HA H 3.993 0.020 1 821 177 152 ILE C C 178.446 0.3 1 822 177 152 ILE CA C 64.525 0.3 1 823 177 152 ILE CB C 37.040 0.3 1 824 177 152 ILE N N 122.688 0.3 1 825 178 153 LYS H H 8.443 0.020 1 826 178 153 LYS HA H 4.409 0.020 1 827 178 153 LYS C C 176.629 0.3 1 828 178 153 LYS CA C 57.663 0.3 1 829 178 153 LYS CB C 32.335 0.3 1 830 178 153 LYS N N 121.393 0.3 1 831 179 154 ASN H H 7.593 0.020 1 832 179 154 ASN C C 174.703 0.3 1 833 179 154 ASN CA C 52.746 0.3 1 834 179 154 ASN CB C 38.633 0.3 1 835 179 154 ASN N N 113.657 0.3 1 836 180 155 ALA H H 7.164 0.020 1 837 180 155 ALA HA H 4.388 0.020 1 838 180 155 ALA C C 177.799 0.3 1 839 180 155 ALA CA C 52.306 0.3 1 840 180 155 ALA CB C 18.448 0.3 1 841 180 155 ALA N N 125.012 0.3 1 842 181 156 SER H H 8.600 0.020 1 843 181 156 SER HA H 4.241 0.020 1 844 181 156 SER C C 177.826 0.3 1 845 181 156 SER CA C 60.012 0.3 1 846 181 156 SER CB C 62.613 0.3 1 847 181 156 SER N N 116.158 0.3 1 848 182 157 ASP H H 7.784 0.020 1 849 182 157 ASP HA H 4.704 0.020 1 850 182 157 ASP C C 176.230 0.3 1 851 182 157 ASP CA C 52.709 0.3 1 852 182 157 ASP CB C 41.972 0.3 1 853 182 157 ASP N N 119.546 0.3 1 854 183 158 SER H H 8.626 0.020 1 855 183 158 SER HA H 4.480 0.020 1 856 183 158 SER C C 175.129 0.3 1 857 183 158 SER CA C 58.471 0.3 1 858 183 158 SER CB C 63.372 0.3 1 859 183 158 SER N N 115.856 0.3 1 860 184 159 ASP H H 8.281 0.020 1 861 184 159 ASP HA H 4.557 0.020 1 862 184 159 ASP C C 178.569 0.3 1 863 184 159 ASP CA C 57.296 0.3 1 864 184 159 ASP CB C 39.468 0.3 1 865 184 159 ASP N N 122.287 0.3 1 866 185 160 GLY H H 8.676 0.020 1 867 185 160 GLY HA2 H 3.814 0.020 2 868 185 160 GLY HA3 H 3.605 0.020 2 869 185 160 GLY C C 175.226 0.3 1 870 185 160 GLY CA C 47.425 0.3 1 871 185 160 GLY N N 109.524 0.3 1 872 186 161 GLN H H 7.684 0.020 1 873 186 161 GLN HA H 4.048 0.020 1 874 186 161 GLN C C 178.349 0.3 1 875 186 161 GLN CA C 58.177 0.3 1 876 186 161 GLN CB C 29.152 0.3 1 877 186 161 GLN N N 121.852 0.3 1 878 187 162 ASP H H 8.260 0.020 1 879 187 162 ASP HA H 4.281 0.020 1 880 187 162 ASP C C 178.473 0.3 1 881 187 162 ASP CA C 56.452 0.3 1 882 187 162 ASP CB C 39.110 0.3 1 883 187 162 ASP N N 119.622 0.3 1 884 188 163 LEU H H 7.550 0.020 1 885 188 163 LEU HA H 4.359 0.020 1 886 188 163 LEU C C 178.143 0.3 1 887 188 163 LEU CA C 56.819 0.3 1 888 188 163 LEU CB C 42.048 0.3 1 889 188 163 LEU N N 119.896 0.3 1 890 189 164 LEU H H 7.365 0.020 1 891 189 164 LEU HA H 3.567 0.020 1 892 189 164 LEU C C 177.125 0.3 1 893 189 164 LEU CA C 55.241 0.3 1 894 189 164 LEU CB C 44.097 0.3 1 895 189 164 LEU N N 112.596 0.3 1 896 190 165 PHE H H 8.845 0.020 1 897 190 165 PHE HA H 4.658 0.020 1 898 190 165 PHE HB2 H 2.857 0.020 1 899 190 165 PHE HB3 H 2.857 0.020 1 900 190 165 PHE C C 176.973 0.3 1 901 190 165 PHE CA C 55.462 0.3 1 902 190 165 PHE CB C 37.191 0.3 1 903 190 165 PHE N N 117.096 0.3 1 904 191 166 THR H H 6.358 0.020 1 905 191 166 THR HA H 4.415 0.020 1 906 191 166 THR C C 176.230 0.3 1 907 191 166 THR CA C 59.608 0.3 1 908 191 166 THR CB C 69.746 0.3 1 909 191 166 THR N N 109.238 0.3 1 910 192 167 ASN H H 7.080 0.020 1 911 192 167 ASN CB C 38.102 0.3 1 912 192 167 ASN N N 114.732 0.3 1 913 193 168 GLN H H 8.746 0.020 1 914 193 168 GLN HA H 5.520 0.020 1 915 193 168 GLN C C 178.748 0.3 1 916 193 168 GLN CA C 58.581 0.3 1 917 193 168 GLN CB C 27.630 0.3 1 918 193 168 GLN N N 118.011 0.3 1 919 194 169 LEU H H 7.128 0.020 1 920 194 169 LEU HA H 4.172 0.020 1 921 194 169 LEU C C 178.756 0.3 1 922 194 169 LEU CA C 57.377 0.3 1 923 194 169 LEU CB C 39.999 0.3 1 924 194 169 LEU N N 117.569 0.3 1 925 195 170 LYS H H 7.672 0.020 1 926 195 170 LYS CA C 58.895 0.3 1 927 195 170 LYS CB C 33.245 0.3 1 928 195 170 LYS N N 113.671 0.3 1 929 196 171 GLU H H 8.095 0.020 1 930 196 171 GLU CA C 54.645 0.3 1 931 196 171 GLU CB C 30.969 0.3 1 932 196 171 GLU N N 124.716 0.3 1 933 197 172 HIS H H 6.842 0.020 1 934 197 172 HIS CA C 52.976 0.3 1 935 197 172 HIS CB C 34.004 0.3 1 936 197 172 HIS N N 114.434 0.3 1 937 198 173 PRO C C 176.092 0.3 1 938 198 173 PRO CA C 64.452 0.3 1 939 198 173 PRO CB C 31.197 0.3 1 940 199 174 THR H H 6.266 0.020 1 941 199 174 THR C C 172.721 0.3 1 942 199 174 THR CA C 58.801 0.3 1 943 199 174 THR CB C 70.809 0.3 1 944 199 174 THR N N 110.276 0.3 1 945 200 175 ASP H H 7.902 0.020 1 946 200 175 ASP HA H 4.076 0.020 1 947 200 175 ASP HB2 H 2.433 0.020 1 948 200 175 ASP HB3 H 2.433 0.020 1 949 200 175 ASP C C 177.221 0.3 1 950 200 175 ASP CA C 53.774 0.3 1 951 200 175 ASP CB C 38.785 0.3 1 952 200 175 ASP N N 117.126 0.3 1 953 201 176 PHE H H 9.343 0.020 1 954 201 176 PHE C C 175.404 0.3 1 955 201 176 PHE CA C 56.836 0.3 1 956 201 176 PHE N N 121.341 0.3 1 957 202 177 SER H H 8.523 0.020 1 958 202 177 SER HA H 4.268 0.020 1 959 202 177 SER C C 176.478 0.3 1 960 202 177 SER CA C 59.131 0.3 1 961 202 177 SER CB C 65.421 0.3 1 962 202 177 SER N N 123.106 0.3 1 963 203 178 VAL H H 8.845 0.020 1 964 203 178 VAL HA H 4.777 0.020 1 965 203 178 VAL C C 178.060 0.3 1 966 203 178 VAL CA C 66.494 0.3 1 967 203 178 VAL CB C 30.817 0.3 1 968 203 178 VAL N N 121.147 0.3 1 969 204 179 GLU H H 8.543 0.020 1 970 204 179 GLU HA H 3.977 0.020 1 971 204 179 GLU C C 178.597 0.3 1 972 204 179 GLU CA C 59.608 0.3 1 973 204 179 GLU CB C 27.933 0.3 1 974 204 179 GLU N N 120.526 0.3 1 975 205 180 PHE H H 7.962 0.020 1 976 205 180 PHE HA H 4.587 0.020 1 977 205 180 PHE C C 178.336 0.3 1 978 205 180 PHE CA C 61.111 0.3 1 979 205 180 PHE CB C 38.481 0.3 1 980 205 180 PHE N N 121.512 0.3 1 981 206 181 LEU H H 7.949 0.020 1 982 206 181 LEU HA H 4.230 0.020 1 983 206 181 LEU C C 178.940 0.3 1 984 206 181 LEU CA C 57.406 0.3 1 985 206 181 LEU CB C 39.923 0.3 1 986 206 181 LEU N N 119.639 0.3 1 987 207 182 GLU H H 8.012 0.020 1 988 207 182 GLU HA H 4.204 0.020 1 989 207 182 GLU C C 179.271 0.3 1 990 207 182 GLU CA C 58.496 0.3 1 991 207 182 GLU CB C 28.768 0.3 1 992 207 182 GLU N N 118.571 0.3 1 993 208 183 GLN H H 7.664 0.020 1 994 208 183 GLN HA H 3.883 0.020 1 995 208 183 GLN C C 176.450 0.3 1 996 208 183 GLN CA C 56.604 0.3 1 997 208 183 GLN CB C 28.238 0.3 1 998 208 183 GLN N N 116.725 0.3 1 999 209 184 ASN H H 7.348 0.020 1 1000 209 184 ASN HA H 4.927 0.020 1 1001 209 184 ASN C C 175.597 0.3 1 1002 209 184 ASN CA C 51.865 0.3 1 1003 209 184 ASN CB C 37.799 0.3 1 1004 209 184 ASN N N 118.353 0.3 1 1005 210 185 SER H H 7.500 0.020 1 1006 210 185 SER HA H 4.365 0.020 1 1007 210 185 SER C C 176.299 0.3 1 1008 210 185 SER CA C 61.920 0.3 1 1009 210 185 SER N N 117.094 0.3 1 1010 211 186 ASN H H 8.651 0.020 1 1011 211 186 ASN HA H 4.175 0.020 1 1012 211 186 ASN C C 177.372 0.3 1 1013 211 186 ASN CA C 56.489 0.3 1 1014 211 186 ASN CB C 37.040 0.3 1 1015 211 186 ASN N N 120.077 0.3 1 1016 212 187 GLU H H 7.474 0.020 1 1017 212 187 GLU C C 178.913 0.3 1 1018 212 187 GLU CA C 58.041 0.3 1 1019 212 187 GLU N N 117.492 0.3 1 1020 213 188 VAL H H 6.887 0.020 1 1021 213 188 VAL HA H 4.676 0.020 1 1022 213 188 VAL CA C 70.192 0.3 1 1023 213 188 VAL CB C 27.250 0.3 1 1024 213 188 VAL N N 114.394 0.3 1 1025 214 189 GLN H H 7.633 0.020 1 1026 214 189 GLN HA H 3.966 0.020 1 1027 214 189 GLN CA C 58.363 0.3 1 1028 214 189 GLN N N 112.896 0.3 1 1029 215 190 GLU H H 7.552 0.020 1 1030 215 190 GLU CA C 59.608 0.3 1 1031 215 190 GLU CB C 28.465 0.3 1 1032 215 190 GLU N N 119.302 0.3 1 1033 216 191 VAL H H 7.722 0.020 1 1034 216 191 VAL C C 178.094 0.3 1 1035 216 191 VAL CA C 66.287 0.3 1 1036 216 191 VAL CB C 30.362 0.3 1 1037 216 191 VAL N N 119.466 0.3 1 1038 217 192 PHE H H 8.350 0.020 1 1039 217 192 PHE HA H 4.186 0.020 1 1040 217 192 PHE CA C 61.186 0.3 1 1041 217 192 PHE N N 120.187 0.3 1 1042 218 193 ALA H H 8.624 0.020 1 1043 218 193 ALA C C 179.533 0.3 1 1044 218 193 ALA CA C 55.715 0.3 1 1045 218 193 ALA CB C 18.220 0.3 1 1046 218 193 ALA N N 121.221 0.3 1 1047 219 194 LYS H H 8.545 0.020 1 1048 219 194 LYS C C 177.510 0.3 1 1049 219 194 LYS CA C 60.452 0.3 1 1050 219 194 LYS CB C 32.714 0.3 1 1051 219 194 LYS N N 118.896 0.3 1 1052 220 195 ALA H H 8.470 0.020 1 1053 220 195 ALA HA H 4.337 0.020 1 1054 220 195 ALA C C 177.799 0.3 1 1055 220 195 ALA CA C 55.021 0.3 1 1056 220 195 ALA CB C 16.854 0.3 1 1057 220 195 ALA N N 120.556 0.3 1 1058 221 196 PHE H H 8.722 0.020 1 1059 221 196 PHE C C 175.768 0.3 1 1060 221 196 PHE CA C 61.553 0.3 1 1061 221 196 PHE CB C 38.592 0.3 1 1062 221 196 PHE N N 118.740 0.3 1 1063 222 197 ALA H H 8.350 0.020 1 1064 222 197 ALA HA H 4.172 0.020 1 1065 222 197 ALA C C 178.831 0.3 1 1066 222 197 ALA CA C 55.230 0.3 1 1067 222 197 ALA CB C 17.689 0.3 1 1068 222 197 ALA N N 121.832 0.3 1 1069 223 198 TYR H H 8.384 0.020 1 1070 223 198 TYR CA C 60.195 0.3 1 1071 223 198 TYR CB C 38.406 0.3 1 1072 223 198 TYR N N 114.205 0.3 1 1073 224 199 TYR H H 7.657 0.020 1 1074 224 199 TYR C C 176.285 0.3 1 1075 224 199 TYR CA C 60.854 0.3 1 1076 224 199 TYR CB C 38.254 0.3 1 1077 224 199 TYR N N 114.079 0.3 1 1078 225 200 ILE H H 6.834 0.020 1 1079 225 200 ILE CA C 65.333 0.3 1 1080 225 200 ILE N N 113.438 0.3 1 1081 226 201 GLU H H 7.593 0.020 1 1082 226 201 GLU HA H 4.433 0.020 1 1083 226 201 GLU C C 175.776 0.3 1 1084 226 201 GLU CA C 54.801 0.3 1 1085 226 201 GLU CB C 30.514 0.3 1 1086 226 201 GLU N N 124.437 0.3 1 1087 228 203 GLN H H 7.696 0.020 1 1088 228 203 GLN CA C 52.900 0.3 1 1089 228 203 GLN CB C 33.397 0.3 1 1090 228 203 GLN N N 114.423 0.3 1 1091 229 204 HIS H H 8.528 0.020 1 1092 229 204 HIS HA H 4.172 0.020 1 1093 229 204 HIS C C 176.037 0.3 1 1094 229 204 HIS CA C 58.984 0.3 1 1095 229 204 HIS CB C 29.451 0.3 1 1096 229 204 HIS N N 123.495 0.3 1 1097 230 205 ARG H H 7.733 0.020 1 1098 230 205 ARG HA H 4.227 0.020 1 1099 230 205 ARG C C 178.074 0.3 1 1100 230 205 ARG CA C 60.159 0.3 1 1101 230 205 ARG CB C 29.451 0.3 1 1102 230 205 ARG N N 125.943 0.3 1 1103 231 206 ASP H H 8.114 0.020 1 1104 231 206 ASP HA H 4.131 0.020 1 1105 231 206 ASP C C 178.927 0.3 1 1106 231 206 ASP CA C 56.673 0.3 1 1107 231 206 ASP CB C 39.164 0.3 1 1108 231 206 ASP N N 117.678 0.3 1 1109 232 207 VAL H H 7.298 0.020 1 1110 232 207 VAL C C 177.414 0.3 1 1111 232 207 VAL CA C 65.296 0.3 1 1112 232 207 VAL CB C 30.741 0.3 1 1113 232 207 VAL N N 121.375 0.3 1 1114 233 208 LEU H H 7.588 0.020 1 1115 233 208 LEU C C 177.634 0.3 1 1116 233 208 LEU CA C 57.517 0.3 1 1117 233 208 LEU CB C 41.137 0.3 1 1118 233 208 LEU N N 120.793 0.3 1 1119 234 209 GLN H H 8.029 0.020 1 1120 234 209 GLN HA H 4.099 0.020 1 1121 234 209 GLN C C 176.285 0.3 1 1122 234 209 GLN CA C 59.205 0.3 1 1123 234 209 GLN CB C 27.397 0.3 1 1124 234 209 GLN N N 116.274 0.3 1 1125 235 210 LEU H H 7.294 0.020 1 1126 235 210 LEU C C 178.872 0.3 1 1127 235 210 LEU CA C 56.673 0.3 1 1128 235 210 LEU CB C 41.594 0.3 1 1129 235 210 LEU N N 116.961 0.3 1 1130 236 211 TYR H H 7.903 0.020 1 1131 236 211 TYR HA H 4.266 0.020 1 1132 236 211 TYR HB2 H 2.189 0.020 1 1133 236 211 TYR HB3 H 2.189 0.020 1 1134 236 211 TYR C C 175.886 0.3 1 1135 236 211 TYR CA C 57.186 0.3 1 1136 236 211 TYR CB C 37.526 0.3 1 1137 236 211 TYR N N 114.221 0.3 1 1138 238 213 PRO C C 180.331 0.3 1 1139 238 213 PRO CA C 65.269 0.3 1 1140 238 213 PRO CB C 30.134 0.3 1 1141 239 214 GLU H H 9.275 0.020 1 1142 239 214 GLU C C 180.331 0.3 1 1143 239 214 GLU CA C 59.168 0.3 1 1144 239 214 GLU CB C 27.706 0.3 1 1145 239 214 GLU N N 116.771 0.3 1 1146 240 215 ALA H H 7.618 0.020 1 1147 240 215 ALA C C 178.501 0.3 1 1148 240 215 ALA CA C 54.214 0.3 1 1149 240 215 ALA CB C 17.158 0.3 1 1150 240 215 ALA N N 121.990 0.3 1 1151 241 216 PHE H H 6.909 0.020 1 1152 241 216 PHE CA C 59.729 0.3 1 1153 241 216 PHE CB C 41.896 0.3 1 1154 241 216 PHE N N 112.424 0.3 1 1155 242 217 ASN H H 7.550 0.020 1 1156 242 217 ASN CA C 50.320 0.3 1 1157 242 217 ASN N N 113.126 0.3 1 1158 243 218 TYR H H 6.952 0.020 1 1159 243 218 TYR CA C 56.542 0.3 1 1160 243 218 TYR CB C 37.191 0.3 1 1161 243 218 TYR N N 115.911 0.3 1 1162 244 219 MET H H 8.191 0.020 1 1163 244 219 MET HA H 4.200 0.020 1 1164 244 219 MET CA C 55.695 0.3 1 1165 244 219 MET N N 117.528 0.3 1 1166 245 220 ASP H H 8.057 0.020 1 1167 245 220 ASP HA H 4.021 0.020 1 1168 245 220 ASP C C 177.070 0.3 1 1169 245 220 ASP CA C 55.095 0.3 1 1170 245 220 ASP CB C 40.454 0.3 1 1171 245 220 ASP N N 122.185 0.3 1 1172 246 221 LYS H H 7.766 0.020 1 1173 246 221 LYS C C 177.221 0.3 1 1174 246 221 LYS N N 114.081 0.3 1 1175 247 222 PHE H H 7.439 0.020 1 1176 247 222 PHE C C 180.413 0.3 1 1177 247 222 PHE CA C 57.040 0.3 1 1178 247 222 PHE CB C 41.062 0.3 1 1179 247 222 PHE N N 119.034 0.3 1 1180 248 223 ASN H H 6.990 0.020 1 1181 248 223 ASN CA C 54.873 0.3 1 1182 248 223 ASN N N 113.496 0.3 1 1183 249 224 GLU H H 7.780 0.020 1 1184 249 224 GLU HA H 3.966 0.020 1 1185 249 224 GLU C C 179.877 0.3 1 1186 249 224 GLU CA C 56.314 0.3 1 1187 249 224 GLU CB C 28.465 0.3 1 1188 249 224 GLU N N 116.945 0.3 1 1189 250 225 GLN H H 7.565 0.020 1 1190 250 225 GLN CA C 65.186 0.3 1 1191 250 225 GLN CB C 33.473 0.3 1 1192 250 225 GLN N N 112.739 0.3 1 1193 251 226 GLU H H 6.732 0.020 1 1194 251 226 GLU CA C 65.039 0.3 1 1195 251 226 GLU CB C 28.541 0.3 1 1196 251 226 GLU N N 113.380 0.3 1 1197 252 227 ILE H H 7.476 0.020 1 1198 252 227 ILE HA H 5.355 0.020 1 1199 252 227 ILE C C 177.276 0.3 1 1200 252 227 ILE CA C 63.938 0.3 1 1201 252 227 ILE N N 113.554 0.3 1 1202 253 228 ASN H H 6.691 0.020 1 1203 253 228 ASN CA C 52.783 0.3 1 1204 253 228 ASN CB C 37.116 0.3 1 1205 253 228 ASN N N 111.533 0.3 1 1206 254 229 LEU H H 8.139 0.020 1 1207 254 229 LEU HA H 4.201 0.020 1 1208 254 229 LEU HB2 H 1.564 0.020 1 1209 254 229 LEU HB3 H 1.564 0.020 1 1210 254 229 LEU C C 177.262 0.3 1 1211 254 229 LEU CA C 54.691 0.3 1 1212 254 229 LEU CB C 37.495 0.3 1 1213 254 229 LEU N N 123.626 0.3 1 1214 255 230 SER H H 7.601 0.020 1 1215 255 230 SER CA C 65.333 0.3 1 1216 255 230 SER N N 113.387 0.3 1 1217 256 231 LEU H H 7.785 0.020 1 1218 256 231 LEU HA H 4.090 0.020 1 1219 256 231 LEU C C 176.216 0.3 1 1220 256 231 LEU CA C 57.994 0.3 1 1221 256 231 LEU CB C 39.847 0.3 1 1222 256 231 LEU N N 118.985 0.3 1 1223 257 232 GLU H H 8.182 0.020 1 1224 257 232 GLU HA H 4.090 0.020 1 1225 257 232 GLU C C 176.615 0.3 1 1226 257 232 GLU CA C 56.445 0.3 1 1227 257 232 GLU CB C 29.484 0.3 1 1228 257 232 GLU N N 121.201 0.3 1 1229 258 233 GLU H H 8.202 0.020 1 1230 258 233 GLU HA H 4.134 0.020 1 1231 258 233 GLU C C 176.232 0.3 1 1232 258 233 GLU CA C 56.269 0.3 1 1233 258 233 GLU N N 121.685 0.3 1 1234 259 234 LEU H H 8.056 0.020 1 1235 259 234 LEU HA H 4.310 0.020 1 1236 259 234 LEU C C 176.272 0.3 1 1237 259 234 LEU CA C 54.728 0.3 1 1238 259 234 LEU CB C 40.682 0.3 1 1239 259 234 LEU N N 124.228 0.3 1 1240 260 235 LYS H H 7.241 0.020 1 1241 260 235 LYS CA C 56.562 0.3 1 1242 260 235 LYS N N 116.226 0.3 1 stop_ save_