data_5706 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Antibiotic binding domain of a TipA-class multidrug resistance transcriptional regulator ; _BMRB_accession_number 5706 _BMRB_flat_file_name bmr5706.str _Entry_type original _Submission_date 2003-02-21 _Accession_date 2003-02-21 _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 Kahmann Jan D. . 2 Sass 'Hans Juergen' . . 3 Allan Martin G. . 4 Seto Haruo . . 5 Thompson Charles J. . 6 Grzesiek Stephan . . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 395 "13C chemical shifts" 345 "15N chemical shifts" 103 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2003-05-22 original author . stop_ _Original_release_date 2003-05-22 save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full . _Citation_title ; Structural Basis for Antibiotic Recognition by the TipA Class of Multidrug-resistance Transcriptional Regulators ; _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code 22568288 _PubMed_ID 12682015 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Kahmann Jan D. . 2 Sass 'Hans Juergen' . . 3 Allan Martin G. . 4 Seto Haruo . . 5 Thompson Charles J. . 6 Grzesiek Stephan . . stop_ _Journal_abbreviation 'EMBO J.' _Journal_volume 22 _Journal_issue 8 _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 1824 _Page_last 1834 _Year 2003 _Details . loop_ _Keyword 'Antibiotic recognition' 'globin fold' 'heteronuclear NMR' 'protein dynamics' stop_ save_ ################################## # Molecular system description # ################################## save_system_TipAS _Saveframe_category molecular_system _Mol_system_name TipAS _Abbreviation_common TipAS _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label TipAS $TipAS stop_ _System_molecular_weight . _System_physical_state native _System_oligomer_state monomer _System_paramagnetic no _System_thiol_state 'not reported' loop_ _Biological_function ; Antibiotic binding domain of a multidrug resistance transcriptional regulator ; stop_ _Database_query_date . _Details . save_ ######################## # Monomeric polymers # ######################## save_TipAS _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common 'Transcriptional activator tipA' _Name_variant 'Transcriptional activator tipAS' _Abbreviation_common TipAS _Molecular_mass 16432 _Mol_thiol_state 'not reported' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 143 _Mol_residue_sequence ; GINLTPEEKFEVFGDFDPDQ YEEEVRERWGNTDAYRQSKE KTASYTKEDWQRIQDEADEL TRRFVALMDAGEPADSEGAM DAAEDHRQGIARNHYDCGYE MHTCLGEMYVSDERFTRNID AAKPGLAAYMRDAILANAVR HTP ; loop_ _Residue_seq_code _Residue_author_seq_code _Residue_label 1 111 GLY 2 112 ILE 3 113 ASN 4 114 LEU 5 115 THR 6 116 PRO 7 117 GLU 8 118 GLU 9 119 LYS 10 120 PHE 11 121 GLU 12 122 VAL 13 123 PHE 14 124 GLY 15 125 ASP 16 126 PHE 17 127 ASP 18 128 PRO 19 129 ASP 20 130 GLN 21 131 TYR 22 132 GLU 23 133 GLU 24 134 GLU 25 135 VAL 26 136 ARG 27 137 GLU 28 138 ARG 29 139 TRP 30 140 GLY 31 141 ASN 32 142 THR 33 143 ASP 34 144 ALA 35 145 TYR 36 146 ARG 37 147 GLN 38 148 SER 39 149 LYS 40 150 GLU 41 151 LYS 42 152 THR 43 153 ALA 44 154 SER 45 155 TYR 46 156 THR 47 157 LYS 48 158 GLU 49 159 ASP 50 160 TRP 51 161 GLN 52 162 ARG 53 163 ILE 54 164 GLN 55 165 ASP 56 166 GLU 57 167 ALA 58 168 ASP 59 169 GLU 60 170 LEU 61 171 THR 62 172 ARG 63 173 ARG 64 174 PHE 65 175 VAL 66 176 ALA 67 177 LEU 68 178 MET 69 179 ASP 70 180 ALA 71 181 GLY 72 182 GLU 73 183 PRO 74 184 ALA 75 185 ASP 76 186 SER 77 187 GLU 78 188 GLY 79 189 ALA 80 190 MET 81 191 ASP 82 192 ALA 83 193 ALA 84 194 GLU 85 195 ASP 86 196 HIS 87 197 ARG 88 198 GLN 89 199 GLY 90 200 ILE 91 201 ALA 92 202 ARG 93 203 ASN 94 204 HIS 95 205 TYR 96 206 ASP 97 207 CYS 98 208 GLY 99 209 TYR 100 210 GLU 101 211 MET 102 212 HIS 103 213 THR 104 214 CYS 105 215 LEU 106 216 GLY 107 217 GLU 108 218 MET 109 219 TYR 110 220 VAL 111 221 SER 112 222 ASP 113 223 GLU 114 224 ARG 115 225 PHE 116 226 THR 117 227 ARG 118 228 ASN 119 229 ILE 120 230 ASP 121 231 ALA 122 232 ALA 123 233 LYS 124 234 PRO 125 235 GLY 126 236 LEU 127 237 ALA 128 238 ALA 129 239 TYR 130 240 MET 131 241 ARG 132 242 ASP 133 243 ALA 134 244 ILE 135 245 LEU 136 246 ALA 137 247 ASN 138 248 ALA 139 249 VAL 140 250 ARG 141 251 HIS 142 252 THR 143 253 PRO stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date 2015-01-28 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 BMRB 19421 TipAS 100.00 144 100.00 100.00 2.77e-101 BMRB 19422 TipAS 100.00 144 100.00 100.00 2.77e-101 PDB 1NY9 "Antibiotic Binding Domain Of A Tipa-Class Multidrug Resistance Transcriptional Regulator" 100.00 143 100.00 100.00 3.41e-101 PDB 2MBZ "Structural Basis Of A Thiopeptide Antibiotic Multidrug Resistance System From Streptomyces Lividans:promothiocin A In Complex W" 100.00 144 100.00 100.00 2.77e-101 PDB 2MC0 "Structural Basis Of A Thiopeptide Antibiotic Multidrug Resistance System From Streptomyces Lividans:nosiheptide In Complex With" 100.00 144 100.00 100.00 2.77e-101 DBJ BAD11210 "TipA [Expression vector pTip-NH1]" 100.00 253 100.00 100.00 9.00e-101 DBJ BAD11216 "TipA [Expression vector pTip-CH1]" 100.00 253 100.00 100.00 9.00e-101 DBJ BAD11222 "TipA [Expression vector pTip-NH2]" 100.00 253 100.00 100.00 9.00e-101 DBJ BAD11228 "TipA [Expression vector pTip-CH2]" 100.00 253 100.00 100.00 9.00e-101 DBJ BAD11234 "TipA [Expression vector pTip-LNH1]" 100.00 253 100.00 100.00 9.00e-101 EMBL CAB42766 "transcriptional regulator [Streptomyces coelicolor A3(2)]" 100.00 253 100.00 100.00 9.00e-101 GB AAB27737 "TipAL-AS [Streptomyces lividans]" 100.00 253 100.00 100.00 9.00e-101 GB AAC13653 "thiostreptin-induced protein [Streptomyces lividans]" 100.00 144 100.00 100.00 2.77e-101 GB AIJ15084 "HTH-type transcriptional activator TipA [Streptomyces lividans TK24]" 100.00 253 100.00 100.00 9.00e-101 GB EFD68501 "thiostrepton inducible protein [Streptomyces lividans TK24]" 100.00 253 100.00 100.00 9.00e-101 GB EHN72093 "transcriptional regulator [Streptomyces coelicoflavus ZG0656]" 100.00 253 97.20 100.00 4.25e-98 REF NP_627619 "transcriptional regulator [Streptomyces coelicolor A3(2)]" 100.00 253 100.00 100.00 9.00e-101 REF WP_003975420 "MULTISPECIES: transcriptional regulator [Streptomyces]" 100.00 253 100.00 100.00 9.00e-101 SP P0A4T8 "RecName: Full=HTH-type transcriptional activator TipA [Streptomyces coelicolor A3(2)]" 100.00 253 100.00 100.00 9.00e-101 SP P0A4T9 "RecName: Full=HTH-type transcriptional activator TipA [Streptomyces lividans]" 100.00 253 100.00 100.00 9.00e-101 stop_ save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species $TipAS 'Streptomyces lividans' 1916 Eubacteria . Streptomyces lividans stop_ save_ ######################### # Experimental source # ######################### save_experimental_source _Saveframe_category experimental_source loop_ _Mol_label _Production_method _Host_organism_name_common _Genus _Species _Strain _Vector_type _Vector_name $TipAS 'recombinant tecHology' 'E. coli' Escherichia lividans 'XL-1 Blue cells' plasmid 'pREP4 and pDS8' 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 $TipAS 1.5 mM [U-15N] stop_ save_ save_sample_2 _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $TipAS 1.5 mM '[U-13C; U-15N]' stop_ save_ ############################ # Computer software used # ############################ save_NMRPipe _Saveframe_category software _Name NMRPipe _Version 2.1 loop_ _Task processing stop_ _Details . save_ save_Pipp _Saveframe_category software _Name Pipp _Version 4.3.2 loop_ _Task 'data analysis' stop_ _Details . save_ save_Xeasy _Saveframe_category software _Name Xeasy _Version 1.2 loop_ _Task 'data analysis' stop_ _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_NMR_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer DRX _Model Bruker _Field_strength 600 _Details . save_ save_NMR_spectrometer_2 _Saveframe_category NMR_spectrometer _Manufacturer DRX _Model Bruker _Field_strength 800 _Details . save_ ############################# # NMR applied experiments # ############################# save_HNCA_1 _Saveframe_category NMR_applied_experiment _Experiment_name HNCA _Sample_label . save_ save_HN(CO)CA_2 _Saveframe_category NMR_applied_experiment _Experiment_name HN(CO)CA _Sample_label . save_ save_HN(CA)CO_3 _Saveframe_category NMR_applied_experiment _Experiment_name HN(CA)CO _Sample_label . save_ save_HNCO_4 _Saveframe_category NMR_applied_experiment _Experiment_name HNCO _Sample_label . save_ save_CBCACONH_5 _Saveframe_category NMR_applied_experiment _Experiment_name CBCACONH _Sample_label . save_ save_CBCANH_6 _Saveframe_category NMR_applied_experiment _Experiment_name CBCANH _Sample_label . save_ save_HCCH-TOCSY_7 _Saveframe_category NMR_applied_experiment _Experiment_name HCCH-TOCSY _Sample_label . save_ save_1H-15N_NOESY_8 _Saveframe_category NMR_applied_experiment _Experiment_name '1H-15N NOESY' _Sample_label . save_ save_1H-13C_NOESY_9 _Saveframe_category NMR_applied_experiment _Experiment_name '1H-13C NOESY' _Sample_label . save_ save_NMR_spec_expt__0_1 _Saveframe_category NMR_applied_experiment _Experiment_name HNCA _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_2 _Saveframe_category NMR_applied_experiment _Experiment_name HN(CO)CA _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_3 _Saveframe_category NMR_applied_experiment _Experiment_name HN(CA)CO _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_4 _Saveframe_category NMR_applied_experiment _Experiment_name HNCO _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_5 _Saveframe_category NMR_applied_experiment _Experiment_name CBCACONH _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_6 _Saveframe_category NMR_applied_experiment _Experiment_name CBCANH _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_7 _Saveframe_category NMR_applied_experiment _Experiment_name HCCH-TOCSY _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_8 _Saveframe_category NMR_applied_experiment _Experiment_name '1H-15N NOESY' _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_9 _Saveframe_category NMR_applied_experiment _Experiment_name '1H-13C NOESY' _BMRB_pulse_sequence_accession_number . _Details . save_ ####################### # Sample conditions # ####################### save_Ex-cond_1 _Saveframe_category sample_conditions _Details . loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units pH 5.9 0.1 na temperature 298 0.5 K 'ionic strength' 0.006 . M stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference _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 H 1 'methyl protons' ppm 0.0 internal direct . . . 1.000000000 DSS N 15 'methyl protons' ppm 0.0 . indirect . . . 0.101329118 DSS C 13 'methyl protons' ppm 0.0 . indirect . . . 0.251449530 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_cs1 _Saveframe_category assigned_chemical_shifts _Details . loop_ _Experiment_label HNCA HN(CO)CA HN(CA)CO HNCO CBCACONH CBCANH HCCH-TOCSY '1H-15N NOESY' '1H-13C NOESY' stop_ _Sample_conditions_label $Ex-cond_1 _Chem_shift_reference_set_label $chemical_shift_reference _Mol_system_component_name TipAS _Text_data_format . _Text_data . loop_ _Atom_shift_assign_ID _Residue_author_seq_code _Residue_seq_code _Residue_label _Atom_name _Atom_type _Chem_shift_value _Chem_shift_value_error _Chem_shift_ambiguity_code 1 . 1 GLY N N 113.982 . 1 2 . 1 GLY H H 8.226 . 1 3 . 1 GLY CA C 45.319 . 1 4 . 1 GLY HA2 H 3.914 . 1 5 . 1 GLY C C 175.844 . 1 6 . 2 ILE N N 118.979 . 1 7 . 2 ILE H H 8.031 . 1 8 . 2 ILE CA C 61.033 . 1 9 . 2 ILE HA H 4.185 . 1 10 . 2 ILE CB C 38.980 . 1 11 . 2 ILE C C 175.826 . 1 12 . 3 ASN N N 122.303 . 1 13 . 3 ASN H H 8.552 . 1 14 . 3 ASN CA C 53.114 . 1 15 . 3 ASN CB C 37.880 . 1 16 . 3 ASN ND2 N 112.355 . 1 17 . 3 ASN HD21 H 7.553 . 1 18 . 3 ASN HD22 H 6.895 . 1 19 . 3 ASN C C 174.729 . 1 20 . 4 LEU N N 122.807 . 1 21 . 4 LEU H H 8.237 . 1 22 . 4 LEU CA C 55.070 . 1 23 . 4 LEU HA H 4.433 . 1 24 . 4 LEU CB C 42.630 . 1 25 . 5 THR CA C 58.760 . 1 26 . 5 THR CB C 70.440 . 1 27 . 12 VAL CA C 61.200 . 1 28 . 12 VAL CB C 31.640 . 1 29 . 12 VAL C C 178.804 . 1 30 . 13 PHE N N 115.559 . 1 31 . 13 PHE H H 7.451 . 1 32 . 13 PHE CA C 57.722 . 1 33 . 13 PHE CB C 40.000 . 1 34 . 13 PHE C C 176.224 . 1 35 . 14 GLY N N 110.145 . 1 36 . 14 GLY H H 8.171 . 1 37 . 14 GLY CA C 45.380 . 1 38 . 14 GLY HA2 H 3.843 . 1 39 . 14 GLY C C 173.402 . 1 40 . 15 ASP N N 120.257 . 1 41 . 15 ASP H H 8.114 . 1 42 . 15 ASP CA C 54.134 . 1 43 . 15 ASP HA H 4.598 . 1 44 . 15 ASP CB C 41.200 . 1 45 . 16 PHE N N 119.928 . 1 46 . 16 PHE H H 8.008 . 1 47 . 16 PHE CA C 57.415 . 1 48 . 16 PHE HA H 3.414 . 1 49 . 16 PHE CB C 40.110 . 1 50 . 29 TRP C C 176.959 . 1 51 . 30 GLY N N 108.725 . 1 52 . 30 GLY H H 7.983 . 1 53 . 30 GLY CA C 46.100 . 1 54 . 30 GLY HA2 H 3.867 . 1 55 . 30 GLY HA3 H 3.725 . 1 56 . 30 GLY C C 173.800 . 1 57 . 31 ASN N N 117.245 . 1 58 . 31 ASN H H 8.214 . 1 59 . 31 ASN CA C 52.900 . 1 60 . 31 ASN HA H 4.881 . 1 61 . 31 ASN CB C 38.900 . 1 62 . 32 THR CA C 62.200 . 1 63 . 32 THR CB C 70.000 . 1 64 . 33 ASP CA C 55.700 . 1 65 . 33 ASP CB C 40.700 . 1 66 . 34 ALA CA C 53.300 . 1 67 . 34 ALA CB C 19.100 . 1 68 . 35 TYR CA C 58.760 . 1 69 . 35 TYR CB C 38.320 . 1 70 . 43 ALA CA C 54.100 . 1 71 . 43 ALA CB C 18.900 . 1 72 . 43 ALA C C 178.358 . 1 73 . 44 SER N N 110.370 . 1 74 . 44 SER H H 7.605 . 1 75 . 44 SER CA C 58.000 . 1 76 . 44 SER CB C 63.900 . 1 77 . 45 TYR CA C 55.200 . 1 78 . 45 TYR CB C 37.000 . 1 79 . 46 THR CA C 60.000 . 1 80 . 46 THR CB C 72.200 . 1 81 . 47 LYS CA C 60.400 . 1 82 . 47 LYS CB C 32.200 . 1 83 . 48 GLU CA C 60.000 . 1 84 . 48 GLU CB C 28.800 . 1 85 . 49 ASP CA C 57.400 . 1 86 . 49 ASP CB C 40.440 . 1 87 . 50 TRP N N 117.846 . 1 88 . 50 TRP H H 7.985 . 1 89 . 50 TRP CA C 60.248 . 1 90 . 50 TRP HA H 4.430 . 1 91 . 50 TRP CB C 29.500 . 1 92 . 51 GLN CA C 58.500 . 1 93 . 51 GLN CB C 28.700 . 1 94 . 52 ARG CA C 59.700 . 1 95 . 52 ARG CB C 29.200 . 1 96 . 53 ILE CA C 65.700 . 1 97 . 53 ILE HA H 4.187 . 1 98 . 53 ILE CB C 39.201 . 1 99 . 53 ILE HB H 38.700 . 1 100 . 54 GLN CA C 58.800 . 1 101 . 54 GLN CB C 28.300 . 1 102 . 55 ASP N N 121.503 . 1 103 . 55 ASP H H 8.735 . 1 104 . 55 ASP CA C 58.000 . 1 105 . 55 ASP HA H 4.427 . 1 106 . 55 ASP CB C 40.000 . 1 107 . 55 ASP HB2 H 3.004 . 1 108 . 55 ASP HB3 H 2.716 . 1 109 . 55 ASP C C 179.998 . 1 110 . 56 GLU N N 120.768 . 1 111 . 56 GLU H H 8.352 . 1 112 . 56 GLU CA C 59.443 . 1 113 . 56 GLU HA H 4.023 . 1 114 . 56 GLU CB C 29.647 . 1 115 . 56 GLU HB2 H 2.190 . 1 116 . 56 GLU HB3 H 2.028 . 1 117 . 56 GLU CG C 36.610 . 1 118 . 56 GLU HG2 H 2.639 . 1 119 . 56 GLU HG3 H 2.191 . 1 120 . 56 GLU C C 179.853 . 1 121 . 57 ALA N N 123.947 . 1 122 . 57 ALA H H 8.111 . 1 123 . 57 ALA CA C 55.449 . 1 124 . 57 ALA HA H 4.304 . 1 125 . 57 ALA HB H 1.622 . 1 126 . 57 ALA CB C 18.202 . 1 127 . 57 ALA C C 180.649 . 1 128 . 58 ASP N N 120.537 . 1 129 . 58 ASP H H 8.942 . 1 130 . 58 ASP CA C 57.485 . 1 131 . 58 ASP HA H 4.467 . 1 132 . 58 ASP CB C 40.555 . 1 133 . 58 ASP HB2 H 2.964 . 1 134 . 58 ASP HB3 H 2.759 . 1 135 . 58 ASP C C 178.768 . 1 136 . 59 GLU N N 120.981 . 1 137 . 59 GLU H H 8.049 . 1 138 . 59 GLU CA C 59.371 . 1 139 . 59 GLU HA H 4.143 . 1 140 . 59 GLU CB C 29.148 . 1 141 . 59 GLU HB2 H 2.149 . 1 142 . 59 GLU CG C 36.072 . 1 143 . 59 GLU HG2 H 2.352 . 1 144 . 59 GLU C C 178.889 . 1 145 . 60 LEU N N 120.729 . 1 146 . 60 LEU H H 7.736 . 1 147 . 60 LEU CA C 58.228 . 1 148 . 60 LEU HA H 4.184 . 1 149 . 60 LEU CB C 41.981 . 1 150 . 60 LEU HB2 H 2.147 . 1 151 . 60 LEU HB3 H 1.877 . 1 152 . 60 LEU CG C 27.861 . 1 153 . 60 LEU HG H 1.955 . 1 154 . 60 LEU HD1 H 1.126 . 1 155 . 60 LEU CD1 C 25.559 . 1 156 . 60 LEU C C 179.021 . 1 157 . 61 THR N N 118.057 . 1 158 . 61 THR H H 8.765 . 1 159 . 61 THR CA C 68.371 . 1 160 . 61 THR HA H 4.062 . 1 161 . 61 THR HB H 4.504 . 1 162 . 61 THR HG2 H 1.230 . 1 163 . 61 THR CG2 C 22.336 . 1 164 . 61 THR C C 176.007 . 1 165 . 62 ARG N N 119.028 . 1 166 . 62 ARG H H 8.148 . 1 167 . 62 ARG CA C 60.371 . 1 168 . 62 ARG HA H 3.914 . 1 169 . 62 ARG CB C 28.611 . 1 170 . 62 ARG HB2 H 2.069 . 1 171 . 62 ARG HB3 H 1.913 . 1 172 . 62 ARG HG3 H 1.621 . 1 173 . 62 ARG CD C 43.746 . 1 174 . 62 ARG HD2 H 3.288 . 1 175 . 62 ARG C C 179.612 . 1 176 . 63 ARG N N 120.670 . 1 177 . 63 ARG H H 8.038 . 1 178 . 63 ARG CA C 59.660 . 1 179 . 63 ARG HA H 4.062 . 1 180 . 63 ARG CB C 30.859 . 1 181 . 63 ARG HB2 H 2.028 . 1 182 . 63 ARG HB3 H 1.902 . 1 183 . 63 ARG CG C 26.557 . 1 184 . 63 ARG HG2 H 1.910 . 1 185 . 63 ARG HG3 H 1.501 . 1 186 . 63 ARG CD C 44.821 . 1 187 . 63 ARG HD2 H 3.284 . 1 188 . 63 ARG NE N 82.169 . 1 189 . 63 ARG HE H 7.392 . 1 190 . 63 ARG C C 179.624 . 1 191 . 64 PHE N N 118.356 . 1 192 . 64 PHE H H 8.523 . 1 193 . 64 PHE CA C 63.658 . 1 194 . 64 PHE HA H 4.346 . 1 195 . 64 PHE CB C 40.555 . 1 196 . 64 PHE HB2 H 3.208 . 1 197 . 64 PHE HB3 H 3.044 . 1 198 . 64 PHE HD1 H 7.456 . 1 199 . 64 PHE HE1 H 7.176 . 1 200 . 64 PHE HZ H 6.870 . 1 201 . 64 PHE C C 178.069 . 1 202 . 65 VAL N N 118.909 . 1 203 . 65 VAL H H 8.721 . 1 204 . 65 VAL CA C 67.485 . 1 205 . 65 VAL HA H 3.372 . 1 206 . 65 VAL CB C 31.786 . 1 207 . 65 VAL HB H 2.107 . 1 208 . 65 VAL HG1 H 0.928 . 1 209 . 65 VAL HG2 H 1.051 . 1 210 . 65 VAL CG1 C 24.562 . 1 211 . 65 VAL CG2 C 21.722 . 1 212 . 65 VAL C C 177.116 . 1 213 . 66 ALA N N 120.239 . 1 214 . 66 ALA H H 8.015 . 1 215 . 66 ALA CA C 55.244 . 1 216 . 66 ALA HA H 4.184 . 1 217 . 66 ALA HB H 1.499 . 1 218 . 66 ALA CB C 18.088 . 1 219 . 66 ALA C C 181.662 . 1 220 . 67 LEU N N 121.455 . 1 221 . 67 LEU H H 7.694 . 1 222 . 67 LEU CA C 58.734 . 1 223 . 67 LEU HA H 3.980 . 1 224 . 67 LEU CB C 41.767 . 1 225 . 67 LEU HB2 H 2.231 . 1 226 . 67 LEU HB3 H 1.823 . 1 227 . 67 LEU CG C 26.403 . 1 228 . 67 LEU HG H 1.742 . 1 229 . 67 LEU HD1 H 0.807 . 1 230 . 67 LEU HD2 H 0.643 . 1 231 . 67 LEU CD1 C 23.641 . 1 232 . 67 LEU C C 178.672 . 1 233 . 68 MET N N 118.709 . 1 234 . 68 MET H H 7.947 . 1 235 . 68 MET CA C 59.884 . 1 236 . 68 MET HA H 3.576 . 1 237 . 68 MET CB C 33.569 . 1 238 . 68 MET HB2 H 1.862 . 1 239 . 68 MET HB3 H 1.744 . 1 240 . 68 MET CG C 30.854 . 1 241 . 68 MET HG2 H 1.942 . 1 242 . 68 MET HG3 H 1.092 . 1 243 . 68 MET C C 181.614 . 1 244 . 69 ASP N N 121.346 . 1 245 . 69 ASP H H 9.032 . 1 246 . 69 ASP CA C 57.112 . 1 247 . 69 ASP HA H 4.386 . 1 248 . 69 ASP CB C 40.199 . 1 249 . 69 ASP HB2 H 2.718 . 1 250 . 69 ASP HB3 H 2.600 . 1 251 . 69 ASP C C 177.779 . 1 252 . 70 ALA N N 120.191 . 1 253 . 70 ALA H H 7.684 . 1 254 . 70 ALA CA C 52.389 . 1 255 . 70 ALA HA H 4.386 . 1 256 . 70 ALA HB H 1.620 . 1 257 . 70 ALA CB C 19.310 . 1 258 . 70 ALA C C 177.972 . 1 259 . 71 GLY N N 107.087 . 1 260 . 71 GLY H H 7.931 . 1 261 . 71 GLY CA C 45.664 . 1 262 . 71 GLY HA2 H 4.144 . 1 263 . 71 GLY HA3 H 3.816 . 1 264 . 71 GLY C C 175.669 . 1 265 . 72 GLU N N 120.172 . 1 266 . 72 GLU H H 7.899 . 1 267 . 72 GLU CA C 54.225 . 1 268 . 72 GLU HA H 4.728 . 1 269 . 72 GLU CB C 28.650 . 1 270 . 72 GLU HB2 H 2.189 . 1 271 . 72 GLU HB3 H 1.825 . 1 272 . 72 GLU HG2 H 2.414 . 1 273 . 73 PRO CD C 50.960 . 1 274 . 73 PRO CA C 62.871 . 1 275 . 73 PRO HA H 4.754 . 1 276 . 73 PRO CB C 33.141 . 1 277 . 73 PRO HB2 H 2.480 . 1 278 . 73 PRO HB3 H 2.271 . 1 279 . 73 PRO CG C 27.785 . 1 280 . 73 PRO HG3 H 2.150 . 1 281 . 73 PRO HD2 H 4.102 . 1 282 . 73 PRO C C 177.188 . 1 283 . 74 ALA N N 125.023 . 1 284 . 74 ALA H H 9.108 . 1 285 . 74 ALA CA C 54.467 . 1 286 . 74 ALA HA H 3.411 . 1 287 . 74 ALA HB H 0.929 . 1 288 . 74 ALA CB C 19.528 . 1 289 . 74 ALA C C 173.439 . 1 290 . 75 ASP N N 107.063 . 1 291 . 75 ASP H H 7.391 . 1 292 . 75 ASP CA C 50.981 . 1 293 . 75 ASP HA H 4.509 . 1 294 . 75 ASP CB C 39.629 . 1 295 . 75 ASP HB2 H 2.269 . 1 296 . 75 ASP HB3 H 3.029 . 1 297 . 75 ASP C C 176.815 . 1 298 . 76 SER N N 113.429 . 1 299 . 76 SER H H 7.700 . 1 300 . 76 SER CA C 57.921 . 1 301 . 76 SER HA H 4.387 . 1 302 . 76 SER CB C 66.150 . 1 303 . 76 SER HB3 H 4.142 . 1 304 . 76 SER C C 174.777 . 1 305 . 77 GLU N N 121.904 . 1 306 . 77 GLU H H 9.090 . 1 307 . 77 GLU CA C 60.790 . 1 308 . 77 GLU HA H 3.735 . 1 309 . 77 GLU CB C 29.550 . 1 310 . 77 GLU HB2 H 2.028 . 1 311 . 77 GLU CG C 36.610 . 1 312 . 77 GLU HG2 H 2.312 . 1 313 . 77 GLU C C 178.286 . 1 314 . 78 GLY N N 103.456 . 1 315 . 78 GLY H H 8.711 . 1 316 . 78 GLY CA C 47.455 . 1 317 . 78 GLY HA2 H 3.818 . 1 318 . 78 GLY HA3 H 3.698 . 1 319 . 78 GLY C C 176.899 . 1 320 . 79 ALA N N 125.763 . 1 321 . 79 ALA H H 7.742 . 1 322 . 79 ALA CA C 55.592 . 1 323 . 79 ALA HA H 4.064 . 1 324 . 79 ALA HB H 1.581 . 1 325 . 79 ALA CB C 18.631 . 1 326 . 79 ALA C C 179.624 . 1 327 . 80 MET N N 117.477 . 1 328 . 80 MET H H 8.606 . 1 329 . 80 MET CA C 60.576 . 1 330 . 80 MET HA H 4.102 . 1 331 . 80 MET CB C 33.925 . 1 332 . 80 MET HB2 H 2.312 . 1 333 . 80 MET HB3 H 1.905 . 1 334 . 80 MET CG C 32.159 . 1 335 . 80 MET HG2 H 3.046 . 1 336 . 80 MET HG3 H 2.148 . 1 337 . 80 MET HE H 1.904 . 1 338 . 80 MET C C 178.744 . 1 339 . 81 ASP N N 119.891 . 1 340 . 81 ASP H H 8.869 . 1 341 . 81 ASP CA C 57.350 . 1 342 . 81 ASP HA H 4.306 . 1 343 . 81 ASP CB C 39.201 . 1 344 . 81 ASP HB2 H 2.676 . 1 345 . 81 ASP HB3 H 2.798 . 1 346 . 81 ASP C C 178.587 . 1 347 . 82 ALA N N 123.849 . 1 348 . 82 ALA H H 7.550 . 1 349 . 82 ALA CA C 55.465 . 1 350 . 82 ALA HA H 3.940 . 1 351 . 82 ALA HB H 0.644 . 1 352 . 82 ALA CB C 16.109 . 1 353 . 82 ALA C C 179.118 . 1 354 . 83 ALA N N 120.855 . 1 355 . 83 ALA H H 8.443 . 1 356 . 83 ALA CA C 55.686 . 1 357 . 83 ALA HA H 4.386 . 1 358 . 83 ALA HB H 1.783 . 1 359 . 83 ALA CB C 18.525 . 1 360 . 83 ALA C C 179.552 . 1 361 . 84 GLU N N 122.112 . 1 362 . 84 GLU H H 8.826 . 1 363 . 84 GLU CA C 58.870 . 1 364 . 84 GLU HA H 4.418 . 1 365 . 84 GLU CB C 27.437 . 1 366 . 84 GLU HB2 H 2.480 . 1 367 . 84 GLU HB3 H 2.235 . 1 368 . 84 GLU CG C 34.614 . 1 369 . 84 GLU HG2 H 2.718 . 1 370 . 84 GLU HG3 H 2.351 . 1 371 . 84 GLU C C 178.587 . 1 372 . 85 ASP N N 121.375 . 1 373 . 85 ASP H H 8.297 . 1 374 . 85 ASP CA C 57.588 . 1 375 . 85 ASP HA H 4.474 . 1 376 . 85 ASP CB C 39.771 . 1 377 . 85 ASP HB2 H 2.678 . 1 378 . 85 ASP HB3 H 2.922 . 1 379 . 85 ASP C C 180.082 . 1 380 . 86 HIS N N 124.536 . 1 381 . 86 HIS H H 8.830 . 1 382 . 86 HIS CA C 61.488 . 1 383 . 86 HIS HA H 4.224 . 1 384 . 86 HIS CB C 31.786 . 1 385 . 86 HIS HB2 H 3.411 . 1 386 . 86 HIS HD2 H 6.821 . 1 387 . 86 HIS C C 177.647 . 1 388 . 87 ARG N N 122.573 . 1 389 . 87 ARG H H 8.373 . 1 390 . 87 ARG CA C 60.180 . 1 391 . 87 ARG HA H 3.046 . 1 392 . 87 ARG CB C 30.859 . 1 393 . 87 ARG HB2 H 1.173 . 1 394 . 87 ARG HB3 H 1.864 . 1 395 . 87 ARG HG2 H 2.356 . 1 396 . 87 ARG HG3 H 0.567 . 1 397 . 87 ARG NE N 79.827 . 1 398 . 87 ARG HE H 6.672 . 1 399 . 87 ARG C C 178.744 . 1 400 . 88 GLN N N 115.355 . 1 401 . 88 GLN H H 8.495 . 1 402 . 88 GLN CA C 58.611 . 1 403 . 88 GLN HA H 3.820 . 1 404 . 88 GLN CB C 27.936 . 1 405 . 88 GLN HB2 H 2.119 . 1 406 . 88 GLN HB3 H 2.033 . 1 407 . 88 GLN CG C 34.000 . 1 408 . 88 GLN HG2 H 2.676 . 1 409 . 88 GLN HG3 H 2.358 . 1 410 . 88 GLN NE2 N 112.418 . 1 411 . 88 GLN C C 179.178 . 1 412 . 89 GLY N N 108.919 . 1 413 . 89 GLY H H 8.247 . 1 414 . 89 GLY CA C 47.100 . 1 415 . 89 GLY HA2 H 3.899 . 1 416 . 89 GLY HA3 H 3.695 . 1 417 . 89 GLY C C 175.669 . 1 418 . 90 ILE N N 123.262 . 1 419 . 90 ILE H H 7.647 . 1 420 . 90 ILE CA C 65.223 . 1 421 . 90 ILE HA H 3.615 . 1 422 . 90 ILE HB H 1.937 . 1 423 . 90 ILE HG2 H 0.719 . 1 424 . 90 ILE HD1 H 0.681 . 1 425 . 90 ILE C C 178.659 . 1 426 . 91 ALA N N 121.632 . 1 427 . 91 ALA H H 7.932 . 1 428 . 91 ALA CA C 53.640 . 1 429 . 91 ALA HA H 4.388 . 1 430 . 91 ALA HB H 1.337 . 1 431 . 91 ALA CB C 18.491 . 1 432 . 91 ALA C C 179.540 . 1 433 . 92 ARG N N 115.885 . 1 434 . 92 ARG H H 8.027 . 1 435 . 92 ARG CA C 58.458 . 1 436 . 92 ARG HA H 3.982 . 1 437 . 92 ARG CB C 31.430 . 1 438 . 92 ARG HB2 H 1.823 . 1 439 . 92 ARG HB3 H 1.705 . 1 440 . 92 ARG CG C 27.861 . 1 441 . 92 ARG CD C 43.670 . 1 442 . 92 ARG C C 177.840 . 1 443 . 93 ASN N N 112.242 . 1 444 . 93 ASN H H 7.823 . 1 445 . 93 ASN CA C 53.892 . 1 446 . 93 ASN HA H 4.588 . 1 447 . 93 ASN CB C 40.330 . 1 448 . 97 CYS CA C 58.308 . 1 449 . 97 CYS HA H 4.794 . 1 450 . 97 CYS CB C 27.223 . 1 451 . 97 CYS C C 173.101 . 1 452 . 98 GLY N N 113.120 . 1 453 . 98 GLY H H 8.175 . 1 454 . 98 GLY CA C 44.758 . 1 455 . 98 GLY C C 173.644 . 1 456 . 99 TYR N N 116.804 . 1 457 . 99 TYR H H 8.326 . 1 458 . 99 TYR CA C 65.294 . 1 459 . 99 TYR HA H 4.020 . 1 460 . 99 TYR CB C 38.274 . 1 461 . 99 TYR HB2 H 2.841 . 1 462 . 99 TYR HB3 H 3.125 . 1 463 . 99 TYR HD1 H 7.355 . 1 464 . 99 TYR HE1 H 6.667 . 1 465 . 99 TYR C C 178.057 . 1 466 . 100 GLU N N 119.933 . 1 467 . 100 GLU H H 8.953 . 1 468 . 100 GLU CA C 60.250 . 1 469 . 100 GLU HA H 4.143 . 1 470 . 100 GLU CB C 30.127 . 1 471 . 100 GLU HB2 H 2.148 . 1 472 . 100 GLU HB3 H 2.069 . 1 473 . 100 GLU CG C 36.840 . 1 474 . 100 GLU HG2 H 2.352 . 1 475 . 100 GLU C C 179.600 . 1 476 . 101 MET N N 120.541 . 1 477 . 101 MET H H 8.042 . 1 478 . 101 MET CA C 58.402 . 1 479 . 101 MET HA H 4.021 . 1 480 . 101 MET CB C 32.642 . 1 481 . 101 MET C C 177.779 . 1 482 . 102 HIS N N 120.598 . 1 483 . 102 HIS H H 8.799 . 1 484 . 102 HIS CA C 59.327 . 1 485 . 102 HIS HA H 4.102 . 1 486 . 102 HIS CB C 33.569 . 1 487 . 102 HIS HB2 H 3.240 . 1 488 . 102 HIS HB3 H 3.004 . 1 489 . 102 HIS C C 177.996 . 1 490 . 103 THR N N 107.914 . 1 491 . 103 THR H H 8.279 . 1 492 . 103 THR CA C 65.865 . 1 493 . 103 THR HA H 4.297 . 1 494 . 103 THR CB C 68.931 . 1 495 . 103 THR HB H 3.898 . 1 496 . 103 THR HG2 H 1.379 . 1 497 . 103 THR C C 176.694 . 1 498 . 104 CYS N N 121.659 . 1 499 . 104 CYS H H 7.425 . 1 500 . 104 CYS CA C 63.103 . 1 501 . 104 CYS HA H 4.139 . 1 502 . 104 CYS CB C 26.582 . 1 503 . 104 CYS HB2 H 3.246 . 1 504 . 104 CYS HB3 H 2.962 . 1 505 . 104 CYS C C 177.550 . 1 506 . 105 LEU N N 122.061 . 1 507 . 105 LEU H H 8.083 . 1 508 . 105 LEU CA C 58.064 . 1 509 . 105 LEU HA H 4.104 . 1 510 . 105 LEU CB C 41.340 . 1 511 . 105 LEU HB2 H 1.826 . 1 512 . 105 LEU HB3 H 1.379 . 1 513 . 105 LEU HG H 1.562 . 1 514 . 105 LEU HD2 H 0.911 . 1 515 . 105 LEU CD1 C 26.096 . 1 516 . 105 LEU CD2 C 24.101 . 1 517 . 105 LEU C C 177.453 . 1 518 . 106 GLY N N 102.741 . 1 519 . 106 GLY H H 8.138 . 1 520 . 106 GLY CA C 47.533 . 1 521 . 106 GLY HA2 H 3.293 . 1 522 . 106 GLY HA3 H 3.126 . 1 523 . 106 GLY C C 174.898 . 1 524 . 107 GLU N N 116.738 . 1 525 . 107 GLU H H 7.704 . 1 526 . 107 GLU CA C 58.436 . 1 527 . 107 GLU HA H 4.183 . 1 528 . 107 GLU CB C 29.196 . 1 529 . 107 GLU HB2 H 2.029 . 1 530 . 107 GLU CG C 35.152 . 1 531 . 107 GLU HG2 H 2.354 . 1 532 . 107 GLU C C 180.275 . 1 533 . 108 MET N N 122.149 . 1 534 . 108 MET H H 7.822 . 1 535 . 108 MET CA C 58.816 . 1 536 . 108 MET HA H 4.148 . 1 537 . 108 MET CB C 32.397 . 1 538 . 108 MET HB2 H 2.595 . 1 539 . 108 MET HB3 H 2.353 . 1 540 . 108 MET HG2 H 2.105 . 1 541 . 108 MET C C 177.707 . 1 542 . 109 TYR N N 115.682 . 1 543 . 109 TYR H H 7.772 . 1 544 . 109 TYR CA C 57.570 . 1 545 . 109 TYR HA H 4.428 . 1 546 . 109 TYR CB C 36.135 . 1 547 . 109 TYR HB2 H 3.375 . 1 548 . 109 TYR HB3 H 2.927 . 1 549 . 109 TYR C C 176.766 . 1 550 . 110 VAL N N 109.498 . 1 551 . 110 VAL H H 6.947 . 1 552 . 110 VAL CA C 62.429 . 1 553 . 110 VAL HA H 4.100 . 1 554 . 110 VAL CB C 33.141 . 1 555 . 110 VAL HB H 2.150 . 1 556 . 110 VAL CG1 C 21.799 . 1 557 . 110 VAL CG2 C 17.655 . 1 558 . 110 VAL HG1 H 0.889 . 1 559 . 110 VAL C C 176.357 . 1 560 . 111 SER N N 114.812 . 1 561 . 111 SER H H 8.203 . 1 562 . 111 SER CA C 59.943 . 1 563 . 111 SER HA H 4.464 . 1 564 . 111 SER CB C 64.368 . 1 565 . 111 SER HB2 H 3.982 . 1 566 . 111 SER HB3 H 3.858 . 1 567 . 111 SER C C 173.993 . 1 568 . 112 ASP N N 123.016 . 1 569 . 112 ASP H H 8.117 . 1 570 . 112 ASP CA C 53.115 . 1 571 . 112 ASP HA H 4.916 . 1 572 . 112 ASP CB C 42.694 . 1 573 . 112 ASP HB2 H 3.370 . 1 574 . 112 ASP HB3 H 2.516 . 1 575 . 112 ASP C C 176.103 . 1 576 . 113 GLU N N 126.012 . 1 577 . 113 GLU H H 8.895 . 1 578 . 113 GLU CA C 59.240 . 1 579 . 113 GLU HA H 4.182 . 1 580 . 113 GLU CB C 29.647 . 1 581 . 113 GLU HB2 H 2.108 . 1 582 . 113 GLU CG C 36.072 . 1 583 . 113 GLU HG2 H 2.352 . 1 584 . 113 GLU C C 177.418 . 1 585 . 114 ARG N N 117.814 . 1 586 . 114 ARG H H 8.303 . 1 587 . 114 ARG CA C 59.110 . 1 588 . 114 ARG HA H 3.940 . 1 589 . 114 ARG HG2 H 1.600 . 1 590 . 114 ARG NE N 83.245 . 1 591 . 114 ARG HE H 7.666 . 1 592 . 115 PHE N N 117.195 . 1 593 . 115 PHE H H 7.874 . 1 594 . 115 PHE CA C 59.836 . 1 595 . 115 PHE C C 178.153 . 1 596 . 116 THR N N 116.575 . 1 597 . 116 THR H H 8.575 . 1 598 . 116 THR CA C 67.249 . 1 599 . 116 THR HA H 3.757 . 1 600 . 116 THR CB C 69.430 . 1 601 . 116 THR HB H 3.939 . 1 602 . 116 THR HG2 H 1.255 . 1 603 . 116 THR C C 176.164 . 1 604 . 117 ARG N N 116.198 . 1 605 . 117 ARG H H 8.252 . 1 606 . 117 ARG CA C 59.193 . 1 607 . 117 ARG HA H 4.021 . 1 608 . 117 ARG CB C 30.289 . 1 609 . 117 ARG HB2 H 1.945 . 1 610 . 117 ARG HB3 H 1.817 . 1 611 . 117 ARG CG C 27.401 . 1 612 . 117 ARG HG2 H 1.738 . 1 613 . 117 ARG HG3 H 1.660 . 1 614 . 117 ARG CD C 43.823 . 1 615 . 117 ARG HD2 H 3.193 . 1 616 . 117 ARG NE N 83.055 . 1 617 . 117 ARG HE H 7.379 . 1 618 . 117 ARG C C 178.599 . 1 619 . 118 ASN N N 115.979 . 1 620 . 118 ASN H H 7.123 . 1 621 . 118 ASN CA C 56.076 . 1 622 . 118 ASN HA H 4.469 . 1 623 . 118 ASN CB C 39.771 . 1 624 . 118 ASN HB2 H 2.707 . 1 625 . 118 ASN C C 176.730 . 1 626 . 119 ILE N N 121.195 . 1 627 . 119 ILE H H 8.191 . 1 628 . 119 ILE CA C 64.876 . 1 629 . 119 ILE HA H 3.729 . 1 630 . 119 ILE CB C 39.272 . 1 631 . 119 ILE HB H 1.658 . 1 632 . 119 ILE HG2 H 0.769 . 1 633 . 119 ILE CG2 C 17.502 . 1 634 . 119 ILE HD1 H 0.319 . 1 635 . 119 ILE C C 178.225 . 1 636 . 120 ASP N N 118.406 . 1 637 . 120 ASP H H 8.674 . 1 638 . 120 ASP CA C 55.678 . 1 639 . 120 ASP HA H 4.713 . 1 640 . 120 ASP CB C 39.201 . 1 641 . 120 ASP HB2 H 2.677 . 1 642 . 120 ASP HB3 H 2.841 . 1 643 . 120 ASP C C 177.550 . 1 644 . 121 ALA N N 122.446 . 1 645 . 121 ALA H H 7.050 . 1 646 . 121 ALA CA C 54.787 . 1 647 . 121 ALA HA H 4.061 . 1 648 . 121 ALA HB H 1.461 . 1 649 . 121 ALA CB C 18.525 . 1 650 . 121 ALA C C 179.479 . 1 651 . 122 ALA N N 116.982 . 1 652 . 122 ALA H H 7.579 . 1 653 . 122 ALA CA C 53.783 . 1 654 . 122 ALA HA H 4.223 . 1 655 . 122 ALA HB H 1.378 . 1 656 . 122 ALA CB C 19.452 . 1 657 . 122 ALA C C 178.213 . 1 658 . 123 LYS N N 116.683 . 1 659 . 123 LYS H H 6.739 . 1 660 . 123 LYS CA C 54.273 . 1 661 . 123 LYS HA H 4.474 . 1 662 . 123 LYS HB2 H 1.620 . 1 663 . 123 LYS HB3 H 2.107 . 1 664 . 123 LYS HG2 H 1.447 . 1 665 . 123 LYS HG3 H 1.377 . 1 666 . 123 LYS HD2 H 1.780 . 1 667 . 124 PRO CD C 51.420 . 1 668 . 124 PRO CA C 64.297 . 1 669 . 124 PRO CB C 31.858 . 1 670 . 124 PRO HB2 H 2.352 . 1 671 . 124 PRO HB3 H 1.874 . 1 672 . 124 PRO CG C 27.938 . 1 673 . 124 PRO HG3 H 2.022 . 1 674 . 124 PRO HD2 H 3.898 . 1 675 . 124 PRO C C 177.466 . 1 676 . 125 GLY N N 112.170 . 1 677 . 125 GLY H H 8.616 . 1 678 . 125 GLY CA C 45.269 . 1 679 . 125 GLY HA2 H 4.265 . 1 680 . 125 GLY HA3 H 3.941 . 1 681 . 125 GLY C C 174.910 . 1 682 . 126 LEU N N 126.292 . 1 683 . 126 LEU H H 7.960 . 1 684 . 126 LEU CA C 57.921 . 1 685 . 126 LEU HA H 4.293 . 1 686 . 126 LEU CB C 41.839 . 1 687 . 126 LEU HB2 H 2.027 . 1 688 . 126 LEU CG C 27.478 . 1 689 . 126 LEU HG H 1.271 . 1 690 . 126 LEU HD1 H 0.930 . 1 691 . 126 LEU HD2 H 0.762 . 1 692 . 126 LEU C C 177.297 . 1 693 . 127 ALA N N 125.329 . 1 694 . 127 ALA H H 10.570 . 1 695 . 127 ALA CA C 56.565 . 1 696 . 127 ALA HA H 3.737 . 1 697 . 127 ALA HB H 1.377 . 1 698 . 127 ALA CB C 18.038 . 1 699 . 127 ALA C C 179.057 . 1 700 . 128 ALA N N 118.480 . 1 701 . 128 ALA H H 8.249 . 1 702 . 128 ALA CA C 54.794 . 1 703 . 128 ALA HA H 3.820 . 1 704 . 128 ALA HB H 1.378 . 1 705 . 128 ALA CB C 17.981 . 1 706 . 128 ALA C C 178.768 . 1 707 . 129 TYR N N 120.883 . 1 708 . 129 TYR H H 7.942 . 1 709 . 129 TYR CA C 62.274 . 1 710 . 129 TYR HA H 4.102 . 1 711 . 129 TYR CB C 40.056 . 1 712 . 129 TYR HB2 H 3.044 . 1 713 . 129 TYR HB3 H 3.287 . 1 714 . 129 TYR HD1 H 6.996 . 1 715 . 129 TYR C C 177.779 . 1 716 . 130 MET N N 116.306 . 1 717 . 130 MET H H 9.018 . 1 718 . 130 MET CA C 60.347 . 1 719 . 130 MET HA H 3.289 . 1 720 . 130 MET CB C 33.283 . 1 721 . 130 MET HB2 H 1.984 . 1 722 . 130 MET CG C 31.468 . 1 723 . 130 MET HG2 H 2.186 . 1 724 . 130 MET HG3 H 0.631 . 1 725 . 130 MET HE H 1.459 . 1 726 . 130 MET C C 177.924 . 1 727 . 131 ARG N N 118.587 . 1 728 . 131 ARG H H 8.446 . 1 729 . 131 ARG CA C 60.925 . 1 730 . 131 ARG HA H 3.493 . 1 731 . 131 ARG CB C 28.364 . 1 732 . 131 ARG HB2 H 2.019 . 1 733 . 131 ARG HB3 H 1.937 . 1 734 . 131 ARG CG C 26.403 . 1 735 . 131 ARG HG2 H 1.579 . 1 736 . 131 ARG HG3 H 1.213 . 1 737 . 131 ARG CD C 42.749 . 1 738 . 131 ARG HD2 H 3.171 . 1 739 . 131 ARG NE N 82.928 . 1 740 . 131 ARG HE H 7.452 . 1 741 . 131 ARG C C 178.503 . 1 742 . 132 ASP N N 119.911 . 1 743 . 132 ASP H H 8.248 . 1 744 . 132 ASP CA C 57.644 . 1 745 . 132 ASP HA H 4.183 . 1 746 . 132 ASP CB C 40.056 . 1 747 . 132 ASP HB2 H 2.642 . 1 748 . 132 ASP HB3 H 2.273 . 1 749 . 132 ASP C C 178.732 . 1 750 . 133 ALA N N 127.226 . 1 751 . 133 ALA H H 8.607 . 1 752 . 133 ALA CA C 55.007 . 1 753 . 133 ALA HA H 4.429 . 1 754 . 133 ALA HB H 1.500 . 1 755 . 133 ALA CB C 19.310 . 1 756 . 133 ALA C C 179.998 . 1 757 . 134 ILE N N 120.771 . 1 758 . 134 ILE H H 8.845 . 1 759 . 134 ILE CA C 65.906 . 1 760 . 134 ILE HA H 3.615 . 1 761 . 134 ILE CB C 37.918 . 1 762 . 134 ILE HB H 1.908 . 1 763 . 134 ILE HG2 H 0.346 . 1 764 . 134 ILE CG2 C 15.649 . 1 765 . 134 ILE CG1 C 30.164 . 1 766 . 134 ILE HD1 H 0.279 . 1 767 . 134 ILE C C 179.612 . 1 768 . 135 LEU N N 121.808 . 1 769 . 135 LEU H H 8.369 . 1 770 . 135 LEU CA C 58.516 . 1 771 . 135 LEU HA H 4.064 . 1 772 . 135 LEU CB C 41.411 . 1 773 . 135 LEU HB2 H 1.783 . 1 774 . 135 LEU HB3 H 1.663 . 1 775 . 135 LEU CG C 27.938 . 1 776 . 135 LEU CD1 C 24.178 . 1 777 . 135 LEU HD1 H 0.892 . 1 778 . 135 LEU C C 179.033 . 1 779 . 136 ALA N N 121.255 . 1 780 . 136 ALA H H 8.195 . 1 781 . 136 ALA CA C 55.379 . 1 782 . 136 ALA HA H 4.106 . 1 783 . 136 ALA HB H 1.541 . 1 784 . 136 ALA CB C 17.235 . 1 785 . 136 ALA C C 180.914 . 1 786 . 137 ASN N N 117.334 . 1 787 . 137 ASN H H 8.972 . 1 788 . 137 ASN CA C 56.565 . 1 789 . 137 ASN HA H 4.628 . 1 790 . 137 ASN CB C 40.555 . 1 791 . 137 ASN HB2 H 2.923 . 1 792 . 137 ASN HB3 H 3.207 . 1 793 . 137 ASN ND2 N 120.708 . 1 794 . 137 ASN HD21 H 9.508 . 1 795 . 137 ASN HD22 H 8.818 . 1 796 . 137 ASN C C 177.225 . 1 797 . 138 ALA N N 124.611 . 1 798 . 138 ALA H H 8.417 . 1 799 . 138 ALA CA C 55.981 . 1 800 . 138 ALA HA H 3.940 . 1 801 . 138 ALA HB H 1.660 . 1 802 . 138 ALA CB C 18.597 . 1 803 . 138 ALA C C 180.950 . 1 804 . 139 VAL N N 120.520 . 1 805 . 139 VAL H H 8.280 . 1 806 . 139 VAL CA C 66.741 . 1 807 . 139 VAL HA H 3.615 . 1 808 . 139 VAL CB C 31.644 . 1 809 . 139 VAL HB H 2.229 . 1 810 . 139 VAL HG1 H 0.928 . 1 811 . 139 VAL HG2 H 1.091 . 1 812 . 139 VAL CG1 C 23.104 . 1 813 . 139 VAL CG2 C 21.339 . 1 814 . 139 VAL C C 179.648 . 1 815 . 140 ARG N N 116.669 . 1 816 . 140 ARG H H 7.633 . 1 817 . 140 ARG CA C 58.058 . 1 818 . 140 ARG HA H 4.306 . 1 819 . 140 ARG CB C 29.148 . 1 820 . 140 ARG HB2 H 1.885 . 1 821 . 140 ARG HB3 H 1.858 . 1 822 . 140 ARG CG C 26.327 . 1 823 . 140 ARG HG3 H 1.095 . 1 824 . 140 ARG CD C 44.360 . 1 825 . 140 ARG HD2 H 3.087 . 1 826 . 140 ARG NE N 83.308 . 1 827 . 140 ARG HE H 6.893 . 1 828 . 140 ARG C C 176.284 . 1 829 . 141 HIS N N 115.998 . 1 830 . 141 HIS H H 7.197 . 1 831 . 141 HIS CA C 56.764 . 1 832 . 141 HIS HA H 4.510 . 1 833 . 141 HIS CB C 28.863 . 1 834 . 141 HIS HB2 H 1.905 . 1 835 . 141 HIS HB3 H 3.164 . 1 836 . 141 HIS HE1 H 8.657 . 1 837 . 141 HIS C C 173.306 . 1 838 . 142 THR N N 118.303 . 1 839 . 142 THR H H 7.487 . 1 840 . 142 THR CA C 60.795 . 1 841 . 142 THR HA H 4.552 . 1 842 . 142 THR HB H 4.226 . 1 843 . 142 THR HG2 H 1.296 . 1 stop_ save_