data_18200 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Resonance assignments for C-terminal DNA-binding domain of RstA protein from Klebsiella pneumonia ; _BMRB_accession_number 18200 _BMRB_flat_file_name bmr18200.str _Entry_type original _Submission_date 2012-01-17 _Accession_date 2012-01-17 _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 Chen Sheng-Chia . . 2 Fang Pei-Ju . . 3 Cheng Ya-Hsin . . 4 Chang Chi-Fon . . 5 Yu Tsunai . . 6 Huang Tai-huang . . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 541 "13C chemical shifts" 389 "15N chemical shifts" 103 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2013-03-25 update BMRB 'update entry citation' 2012-05-08 original author 'original release' stop_ save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full . _Citation_title '(1)H, (13)C and (15)N resonance assignments of the C-terminal DNA-binding domain of RstA protein from Klebsiella pneumoniae.' _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 22481468 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Chen Sheng-Chia . . 2 Chang Chi-Fon . . 3 Fan Pei-Ju . . 4 Cheng Ya-Hsin . . 5 Yu Tsunai . . 6 Huang Tai-Huang . . stop_ _Journal_abbreviation 'Biomol. NMR Assignments' _Journal_name_full 'Biomolecular NMR assignments' _Journal_volume 7 _Journal_issue 1 _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 85 _Page_last 88 _Year 2013 _Details . loop_ _Keyword DNA-binding Feo 'ferrous iron transport' 'Klebsiella pneumonia' 'Two component systems' stop_ save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name RstA_C _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label RstA_C $RstA_C stop_ _System_molecular_weight . _System_physical_state native _System_oligomer_state ? _System_paramagnetic no _System_thiol_state . _Database_query_date . _Details . save_ ######################## # Monomeric polymers # ######################## save_RstA_C _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common RstA_C _Molecular_mass . _Mol_thiol_state 'not present' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 119 _Mol_residue_sequence ; MHHHHHHAMGTLTPHKTISF GSLTIDPVNRQVLLGGENVA LSTADFDLLWELATHAGQIM DRDALLKNLRGVTYDGMDRS VDVAISRLRKKLLDNATEPY RIKTVRNKGYLFAPHAWDN ; loop_ _Residue_seq_code _Residue_author_seq_code _Residue_label 1 121 MET 2 122 HIS 3 123 HIS 4 124 HIS 5 125 HIS 6 126 HIS 7 127 HIS 8 128 ALA 9 129 MET 10 130 GLY 11 131 THR 12 132 LEU 13 133 THR 14 134 PRO 15 135 HIS 16 136 LYS 17 137 THR 18 138 ILE 19 139 SER 20 140 PHE 21 141 GLY 22 142 SER 23 143 LEU 24 144 THR 25 145 ILE 26 146 ASP 27 147 PRO 28 148 VAL 29 149 ASN 30 150 ARG 31 151 GLN 32 152 VAL 33 153 LEU 34 154 LEU 35 155 GLY 36 156 GLY 37 157 GLU 38 158 ASN 39 159 VAL 40 160 ALA 41 161 LEU 42 162 SER 43 163 THR 44 164 ALA 45 165 ASP 46 166 PHE 47 167 ASP 48 168 LEU 49 169 LEU 50 170 TRP 51 171 GLU 52 172 LEU 53 173 ALA 54 174 THR 55 175 HIS 56 176 ALA 57 177 GLY 58 178 GLN 59 179 ILE 60 180 MET 61 181 ASP 62 182 ARG 63 183 ASP 64 184 ALA 65 185 LEU 66 186 LEU 67 187 LYS 68 188 ASN 69 189 LEU 70 190 ARG 71 191 GLY 72 192 VAL 73 193 THR 74 194 TYR 75 195 ASP 76 196 GLY 77 197 MET 78 198 ASP 79 199 ARG 80 200 SER 81 201 VAL 82 202 ASP 83 203 VAL 84 204 ALA 85 205 ILE 86 206 SER 87 207 ARG 88 208 LEU 89 209 ARG 90 210 LYS 91 211 LYS 92 212 LEU 93 213 LEU 94 214 ASP 95 215 ASN 96 216 ALA 97 217 THR 98 218 GLU 99 219 PRO 100 220 TYR 101 221 ARG 102 222 ILE 103 223 LYS 104 224 THR 105 225 VAL 106 226 ARG 107 227 ASN 108 228 LYS 109 229 GLY 110 230 TYR 111 231 LEU 112 232 PHE 113 233 ALA 114 234 PRO 115 235 HIS 116 236 ALA 117 237 TRP 118 238 ASP 119 239 ASN stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date 2015-11-04 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 PDB 2MLK "Three-dimensional Structure Of The C-terminal Dna-binding Domain Of Rsta Protein From Klebsiella Pneumoniae" 100.00 119 100.00 100.00 5.67e-81 PDB 4NHJ "Crystal Structure Of Klebsiella Pneumoniae Rsta Dna-binding Domain In Complex With Rsta Box" 100.00 119 98.32 100.00 1.82e-80 DBJ BAH63203 "two-component regulatory system response regulator [Klebsiella pneumoniae subsp. pneumoniae NTUH-K2044]" 94.12 239 98.21 98.21 1.84e-71 DBJ BAS35643 "DNA-binding transcriptional regulator rstA [Klebsiella pneumoniae]" 91.60 238 99.08 100.00 2.94e-70 EMBL CCI77052 "rstA [Klebsiella pneumoniae subsp. rhinoscleromatis SB3432]" 94.12 239 98.21 98.21 1.84e-71 EMBL CCM80542 "Transcriptional regulatory protein RstA [Klebsiella pneumoniae subsp. pneumoniae ST258-K26BO]" 94.12 239 98.21 98.21 1.84e-71 EMBL CCM87616 "Transcriptional regulatory protein RstA [Klebsiella pneumoniae subsp. pneumoniae ST258-K28BO]" 94.12 239 98.21 98.21 1.84e-71 EMBL CCM95853 "Transcriptional regulatory protein RstA [Klebsiella pneumoniae subsp. pneumoniae ST512-K30BO]" 94.12 239 98.21 98.21 1.84e-71 EMBL CCN29569 "transcriptional regulatory protein RstA [Klebsiella pneumoniae subsp. pneumoniae Ecl8]" 94.12 239 98.21 98.21 1.84e-71 GB ABR76952 "response regulator (activator) in two-component regulatory system with RstB (OmpR family) [Klebsiella pneumoniae subsp. pneumon" 94.12 239 98.21 98.21 1.84e-71 GB ACI11717 "transcriptional regulatory protein RstA [Klebsiella pneumoniae 342]" 92.44 240 99.09 99.09 5.32e-71 GB ADC58723 "two component transcriptional regulator, winged helix family [Klebsiella variicola At-22]" 92.44 240 99.09 99.09 5.32e-71 GB AEJ97988 "DNA-binding transcriptional regulator RstA [Klebsiella pneumoniae KCTC 2242]" 94.12 239 98.21 98.21 1.84e-71 GB AEW61123 "DNA-binding transcriptional regulator RstA [Klebsiella pneumoniae subsp. pneumoniae HS11286]" 94.12 239 98.21 98.21 1.84e-71 REF WP_002903377 "MULTISPECIES: DNA-binding response regulator [Enterobacteriaceae]" 94.12 239 98.21 98.21 1.84e-71 REF WP_008805070 "MULTISPECIES: DNA-binding response regulator [Enterobacteriaceae]" 92.44 240 99.09 99.09 5.32e-71 REF WP_017898700 "MULTISPECIES: DNA-binding response regulator [Klebsiella]" 94.12 238 97.32 98.21 1.37e-70 REF WP_020313713 "DNA-binding response regulator [Klebsiella pneumoniae]" 94.12 239 97.32 98.21 6.21e-71 REF WP_021440054 "DNA-binding response regulator [Klebsiella pneumoniae]" 94.12 239 98.21 98.21 1.80e-71 stop_ save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species $RstA_C 'Klebsiella pneumonia' 573 Bacteria . Klebsiella pneumonia 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 $RstA_C 'recombinant technology' . Escherichia coli . BL21 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 $RstA_C 0.1-1.0 mM '[U-13C; U-15N]' stop_ save_ ############################ # Computer software used # ############################ save_CARA _Saveframe_category software _Name CARA _Version . loop_ _Vendor _Address _Electronic_address 'Keller and Wuthrich' . . stop_ loop_ _Task 'chemical shift assignment' stop_ _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model Avance _Field_strength 500 _Details . save_ save_spectrometer_2 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model Avance _Field_strength 600 _Details . save_ save_spectrometer_3 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model Avance _Field_strength 800 _Details . save_ ############################# # NMR applied experiments # ############################# save_2D_1H-15N_HSQC_1 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-15N HSQC' _Sample_label $sample_1 save_ save_3D_HNCA_2 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCA' _Sample_label $sample_1 save_ save_3D_HN(CO)CA_3 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HN(CO)CA' _Sample_label $sample_1 save_ save_3D_HNCO_4 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCO' _Sample_label $sample_1 save_ save_3D_HCACO_5 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HCACO' _Sample_label $sample_1 save_ save_3D_CBCA(CO)NH_6 _Saveframe_category NMR_applied_experiment _Experiment_name '3D CBCA(CO)NH' _Sample_label $sample_1 save_ save_3D_HNCACB_7 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCACB' _Sample_label $sample_1 save_ save_3D_HCCH-TOCSY_8 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HCCH-TOCSY' _Sample_label $sample_1 save_ save_3D_HBHA(CO)NH_9 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HBHA(CO)NH' _Sample_label $sample_1 save_ save_3D_H(CCO)NH_10 _Saveframe_category NMR_applied_experiment _Experiment_name '3D H(CCO)NH' _Sample_label $sample_1 save_ save_3D_1H-15N_NOESY_11 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-15N NOESY' _Sample_label $sample_1 save_ save_3D_1H-13C_NOESY_12 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-13C NOESY' _Sample_label $sample_1 save_ save_NMR_spectrometer_expt _Saveframe_category NMR_applied_experiment _Experiment_name . _BMRB_pulse_sequence_accession_number . _Details . 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 6.0 . pH pressure 1 . atm temperature 298 . K stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference_1 _Saveframe_category chemical_shift_reference _Details . loop_ _Mol_common_name _Atom_type _Atom_isotope_number _Atom_group _Chem_shift_units _Chem_shift_value _Reference_method _Reference_type _External_reference_sample_geometry _External_reference_location _External_reference_axis _Indirect_shift_ratio DSS C 13 'methyl protons' ppm 0.00 na indirect . . . 0.251449530 DSS H 1 'methyl protons' ppm 0.00 internal direct . . . 1.000000000 DSS N 15 'methyl protons' ppm 0.00 na indirect . . . 0.101329118 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_assigned_chem_shift_list_1 _Saveframe_category assigned_chemical_shifts _Details . loop_ _Experiment_label '3D 1H-15N NOESY' '3D 1H-13C NOESY' stop_ loop_ _Sample_label $sample_1 stop_ _Sample_conditions_label $sample_conditions_1 _Chem_shift_reference_set_label $chemical_shift_reference_1 _Mol_system_component_name RstA_C _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 1 128 8 ALA H H 8.519 0.020 1 2 128 8 ALA HA H 4.266 0.020 1 3 128 8 ALA HB H 1.337 0.020 1 4 128 8 ALA C C 177.630 0.300 1 5 128 8 ALA CA C 52.427 0.300 1 6 128 8 ALA CB C 19.104 0.300 1 7 128 8 ALA N N 126.301 0.300 1 8 129 9 MET H H 8.522 0.020 1 9 129 9 MET HA H 4.445 0.020 1 10 129 9 MET HB2 H 2.542 0.020 2 11 129 9 MET HB3 H 2.034 0.020 2 12 129 9 MET C C 176.804 0.300 1 13 129 9 MET CA C 55.487 0.300 1 14 129 9 MET CB C 32.031 0.300 1 15 129 9 MET N N 120.529 0.300 1 16 130 10 GLY H H 8.448 0.020 1 17 130 10 GLY HA2 H 3.936 0.020 1 18 130 10 GLY HA3 H 3.936 0.020 1 19 130 10 GLY C C 174.230 0.300 1 20 130 10 GLY CA C 45.213 0.300 1 21 130 10 GLY N N 110.151 0.300 1 22 131 11 THR H H 8.108 0.020 1 23 131 11 THR HA H 4.285 0.020 1 24 131 11 THR HB H 4.163 0.020 1 25 131 11 THR HG2 H 1.164 0.020 1 26 131 11 THR C C 174.471 0.300 1 27 131 11 THR CA C 61.860 0.300 1 28 131 11 THR CB C 69.496 0.300 1 29 131 11 THR N N 114.123 0.300 1 30 132 12 LEU H H 8.376 0.020 1 31 132 12 LEU HA H 4.405 0.020 1 32 132 12 LEU HB2 H 1.616 0.020 1 33 132 12 LEU HB3 H 1.616 0.020 1 34 132 12 LEU HD1 H 0.868 0.020 1 35 132 12 LEU HD2 H 0.868 0.020 1 36 132 12 LEU C C 177.206 0.300 1 37 132 12 LEU CA C 54.932 0.300 1 38 132 12 LEU CB C 42.007 0.300 1 39 132 12 LEU CG C 26.600 0.300 1 40 132 12 LEU CD1 C 24.811 0.300 1 41 132 12 LEU N N 124.971 0.300 1 42 133 13 THR H H 8.197 0.020 1 43 133 13 THR HA H 4.522 0.020 1 44 133 13 THR HB H 4.090 0.020 1 45 133 13 THR HG1 H 4.106 0.020 1 46 133 13 THR HG2 H 1.177 0.020 1 47 133 13 THR C C 172.819 0.300 1 48 133 13 THR CA C 59.659 0.300 1 49 133 13 THR CB C 69.604 0.300 1 50 133 13 THR CG2 C 21.193 0.300 1 51 133 13 THR N N 117.980 0.300 1 52 134 14 PRO HA H 4.376 0.020 1 53 134 14 PRO HB2 H 1.875 0.020 1 54 134 14 PRO HB3 H 1.875 0.020 1 55 134 14 PRO HG2 H 1.781 0.020 1 56 134 14 PRO HG3 H 1.781 0.020 1 57 134 14 PRO CA C 63.136 0.300 1 58 134 14 PRO CB C 32.136 0.300 1 59 135 15 HIS H H 8.602 0.020 1 60 135 15 HIS HA H 4.673 0.020 1 61 135 15 HIS HB2 H 3.170 0.020 1 62 135 15 HIS HB3 H 3.170 0.020 1 63 135 15 HIS HD2 H 7.291 0.020 1 64 135 15 HIS C C 173.794 0.300 1 65 135 15 HIS CA C 55.428 0.300 1 66 135 15 HIS CB C 29.334 0.300 1 67 135 15 HIS CD2 C 117.062 0.300 1 68 135 15 HIS N N 118.798 0.300 1 69 136 16 LYS H H 8.237 0.020 1 70 136 16 LYS HA H 4.504 0.020 1 71 136 16 LYS HB2 H 1.815 0.020 1 72 136 16 LYS HB3 H 1.815 0.020 1 73 136 16 LYS C C 175.692 0.300 1 74 136 16 LYS CA C 55.815 0.300 1 75 136 16 LYS CB C 33.690 0.300 1 76 136 16 LYS N N 121.132 0.300 1 77 137 17 THR H H 7.980 0.020 1 78 137 17 THR HA H 4.688 0.020 1 79 137 17 THR HB H 3.990 0.020 1 80 137 17 THR HG2 H 1.127 0.020 1 81 137 17 THR C C 174.332 0.300 1 82 137 17 THR CA C 63.282 0.300 1 83 137 17 THR CB C 69.717 0.300 1 84 137 17 THR CG2 C 22.375 0.300 1 85 137 17 THR N N 114.933 0.300 1 86 138 18 ILE H H 8.630 0.020 1 87 138 18 ILE HA H 4.574 0.020 1 88 138 18 ILE HB H 1.580 0.020 1 89 138 18 ILE HG12 H 1.204 0.020 2 90 138 18 ILE HG13 H 1.415 0.020 2 91 138 18 ILE HG2 H 0.737 0.020 1 92 138 18 ILE HD1 H 0.281 0.020 1 93 138 18 ILE C C 173.845 0.300 1 94 138 18 ILE CA C 59.867 0.300 1 95 138 18 ILE CB C 40.977 0.300 1 96 138 18 ILE CG1 C 25.971 0.300 1 97 138 18 ILE CG2 C 17.570 0.300 1 98 138 18 ILE CD1 C 13.617 0.300 1 99 138 18 ILE N N 120.452 0.300 1 100 139 19 SER H H 7.923 0.020 1 101 139 19 SER HA H 5.426 0.020 1 102 139 19 SER HB2 H 3.634 0.020 2 103 139 19 SER HB3 H 3.475 0.020 2 104 139 19 SER C C 172.571 0.300 1 105 139 19 SER CA C 56.632 0.300 1 106 139 19 SER CB C 66.236 0.300 1 107 139 19 SER N N 116.698 0.300 1 108 140 20 PHE H H 8.971 0.020 1 109 140 20 PHE HA H 4.544 0.020 1 110 140 20 PHE HB2 H 3.330 0.020 2 111 140 20 PHE HB3 H 2.598 0.020 2 112 140 20 PHE HD1 H 6.871 0.020 1 113 140 20 PHE HD2 H 6.871 0.020 1 114 140 20 PHE HE1 H 6.983 0.020 1 115 140 20 PHE HE2 H 6.983 0.020 1 116 140 20 PHE C C 174.588 0.300 1 117 140 20 PHE CA C 55.906 0.300 1 118 140 20 PHE CB C 41.288 0.300 1 119 140 20 PHE CD1 C 128.364 0.300 1 120 140 20 PHE CE1 C 130.110 0.300 1 121 140 20 PHE N N 123.045 0.300 1 122 141 21 GLY H H 8.814 0.020 1 123 141 21 GLY HA2 H 3.752 0.020 2 124 141 21 GLY HA3 H 3.885 0.020 2 125 141 21 GLY C C 176.051 0.300 1 126 141 21 GLY CA C 48.226 0.300 1 127 141 21 GLY N N 111.752 0.300 1 128 142 22 SER H H 8.796 0.020 1 129 142 22 SER HA H 4.483 0.020 1 130 142 22 SER HB2 H 4.146 0.020 1 131 142 22 SER HB3 H 4.146 0.020 1 132 142 22 SER C C 175.282 0.300 1 133 142 22 SER CA C 59.425 0.300 1 134 142 22 SER CB C 64.297 0.300 1 135 142 22 SER N N 122.813 0.300 1 136 143 23 LEU H H 8.982 0.020 1 137 143 23 LEU HA H 5.349 0.020 1 138 143 23 LEU HB2 H 2.012 0.020 1 139 143 23 LEU HB3 H 2.012 0.020 1 140 143 23 LEU HG H 1.099 0.020 1 141 143 23 LEU HD1 H 0.709 0.020 2 142 143 23 LEU HD2 H -0.298 0.020 2 143 143 23 LEU C C 175.307 0.300 1 144 143 23 LEU CA C 54.141 0.300 1 145 143 23 LEU CB C 43.471 0.300 1 146 143 23 LEU CG C 27.343 0.300 1 147 143 23 LEU CD1 C 24.368 0.300 1 148 143 23 LEU CD2 C 25.349 0.300 1 149 143 23 LEU N N 128.813 0.300 1 150 144 24 THR H H 9.530 0.020 1 151 144 24 THR HA H 4.971 0.020 1 152 144 24 THR HB H 3.888 0.020 1 153 144 24 THR HG2 H 1.087 0.020 1 154 144 24 THR C C 172.852 0.300 1 155 144 24 THR CA C 61.977 0.300 1 156 144 24 THR CB C 72.119 0.300 1 157 144 24 THR CG2 C 21.881 0.300 1 158 144 24 THR N N 123.999 0.300 1 159 145 25 ILE H H 9.269 0.020 1 160 145 25 ILE HA H 4.623 0.020 1 161 145 25 ILE HB H 1.895 0.020 1 162 145 25 ILE HG12 H 0.952 0.020 1 163 145 25 ILE HG13 H 0.952 0.020 1 164 145 25 ILE HG2 H 0.831 0.020 1 165 145 25 ILE HD1 H 0.516 0.020 1 166 145 25 ILE C C 173.537 0.300 1 167 145 25 ILE CA C 61.187 0.300 1 168 145 25 ILE CB C 40.657 0.300 1 169 145 25 ILE CG1 C 19.752 0.300 1 170 145 25 ILE CG2 C 14.151 0.300 1 171 145 25 ILE CD1 C 14.406 0.300 1 172 145 25 ILE N N 124.891 0.300 1 173 146 26 ASP H H 9.098 0.020 1 174 146 26 ASP HA H 5.415 0.020 1 175 146 26 ASP HB2 H 2.592 0.020 2 176 146 26 ASP HB3 H 3.031 0.020 2 177 146 26 ASP C C 176.158 0.300 1 178 146 26 ASP CA C 49.447 0.300 1 179 146 26 ASP CB C 43.270 0.300 1 180 146 26 ASP N N 126.660 0.300 1 181 147 27 PRO HA H 3.984 0.020 1 182 147 27 PRO CA C 63.396 0.300 1 183 148 28 VAL H H 8.083 0.020 1 184 148 28 VAL HA H 3.586 0.020 1 185 148 28 VAL HB H 1.989 0.020 1 186 148 28 VAL HG1 H 0.753 0.020 2 187 148 28 VAL HG2 H 0.760 0.020 2 188 148 28 VAL C C 177.068 0.300 1 189 148 28 VAL CA C 65.377 0.300 1 190 148 28 VAL CB C 31.320 0.300 1 191 148 28 VAL CG1 C 20.374 0.300 1 192 148 28 VAL N N 123.156 0.300 1 193 149 29 ASN H H 7.394 0.020 1 194 149 29 ASN HA H 4.451 0.020 1 195 149 29 ASN HB2 H 2.597 0.020 1 196 149 29 ASN HB3 H 2.272 0.020 1 197 149 29 ASN C C 173.999 0.300 1 198 149 29 ASN CA C 52.556 0.300 1 199 149 29 ASN CB C 38.531 0.300 1 200 149 29 ASN N N 114.586 0.300 1 201 150 30 ARG H H 7.257 0.020 1 202 150 30 ARG HA H 2.973 0.020 1 203 150 30 ARG HB2 H 1.496 0.020 2 204 150 30 ARG HB3 H 0.944 0.020 2 205 150 30 ARG HG2 H 0.802 0.020 2 206 150 30 ARG HG3 H 0.605 0.020 2 207 150 30 ARG HD2 H 2.656 0.020 1 208 150 30 ARG HD3 H 2.656 0.020 1 209 150 30 ARG C C 174.204 0.300 1 210 150 30 ARG CA C 56.161 0.300 1 211 150 30 ARG CB C 25.343 0.300 1 212 150 30 ARG CG C 27.601 0.300 1 213 150 30 ARG CD C 42.243 0.300 1 214 150 30 ARG N N 117.520 0.300 1 215 151 31 GLN H H 7.835 0.020 1 216 151 31 GLN HA H 4.752 0.020 1 217 151 31 GLN HB2 H 1.663 0.020 1 218 151 31 GLN HB3 H 1.663 0.020 1 219 151 31 GLN HG2 H 2.023 0.020 2 220 151 31 GLN HG3 H 2.217 0.020 2 221 151 31 GLN C C 174.127 0.300 1 222 151 31 GLN CA C 53.538 0.300 1 223 151 31 GLN CB C 33.044 0.300 1 224 151 31 GLN CG C 33.878 0.300 1 225 151 31 GLN N N 116.816 0.300 1 226 152 32 VAL H H 9.237 0.020 1 227 152 32 VAL HA H 4.624 0.020 1 228 152 32 VAL HB H 2.245 0.020 1 229 152 32 VAL HG1 H 1.036 0.020 2 230 152 32 VAL HG2 H 0.758 0.020 2 231 152 32 VAL C C 173.511 0.300 1 232 152 32 VAL CA C 61.289 0.300 1 233 152 32 VAL CB C 33.832 0.300 1 234 152 32 VAL CG1 C 23.355 0.300 1 235 152 32 VAL CG2 C 21.522 0.300 1 236 152 32 VAL N N 126.660 0.300 1 237 153 33 LEU H H 9.033 0.020 1 238 153 33 LEU HA H 5.198 0.020 1 239 153 33 LEU HB2 H 1.674 0.020 1 240 153 33 LEU HB3 H 1.674 0.020 1 241 153 33 LEU HG H 1.177 0.020 1 242 153 33 LEU HD1 H 0.686 0.020 2 243 153 33 LEU HD2 H 0.763 0.020 2 244 153 33 LEU C C 175.201 0.300 1 245 153 33 LEU CA C 52.822 0.300 1 246 153 33 LEU CB C 45.488 0.300 1 247 153 33 LEU CD1 C 24.262 0.300 1 248 153 33 LEU N N 127.083 0.300 1 249 154 34 LEU H H 9.026 0.020 1 250 154 34 LEU HA H 5.342 0.020 1 251 154 34 LEU HB2 H 1.918 0.020 1 252 154 34 LEU HB3 H 1.918 0.020 1 253 154 34 LEU HG H 1.537 0.020 1 254 154 34 LEU HD1 H 1.166 0.020 2 255 154 34 LEU HD2 H 1.035 0.020 2 256 154 34 LEU C C 178.080 0.300 1 257 154 34 LEU CA C 53.012 0.300 1 258 154 34 LEU CB C 44.757 0.300 1 259 154 34 LEU CG C 27.023 0.300 1 260 154 34 LEU CD1 C 23.818 0.300 1 261 154 34 LEU N N 123.737 0.300 1 262 155 35 GLY H H 9.741 0.020 1 263 155 35 GLY HA2 H 4.025 0.020 1 264 155 35 GLY HA3 H 4.025 0.020 1 265 155 35 GLY C C 175.877 0.300 1 266 155 35 GLY CA C 47.091 0.300 1 267 155 35 GLY N N 119.346 0.300 1 268 156 36 GLY H H 8.822 0.020 1 269 156 36 GLY HA2 H 4.231 0.020 2 270 156 36 GLY HA3 H 3.568 0.020 2 271 156 36 GLY C C 173.203 0.300 1 272 156 36 GLY CA C 44.859 0.300 1 273 156 36 GLY N N 105.159 0.300 1 274 157 37 GLU H H 7.600 0.020 1 275 157 37 GLU HA H 4.624 0.020 1 276 157 37 GLU HB2 H 2.074 0.020 1 277 157 37 GLU HB3 H 2.074 0.020 1 278 157 37 GLU HG2 H 2.207 0.020 2 279 157 37 GLU HG3 H 2.339 0.020 2 280 157 37 GLU C C 175.354 0.300 1 281 157 37 GLU CA C 54.309 0.300 1 282 157 37 GLU CB C 31.320 0.300 1 283 157 37 GLU CG C 35.800 0.300 1 284 157 37 GLU N N 119.816 0.300 1 285 158 38 ASN H H 8.859 0.020 1 286 158 38 ASN HA H 4.870 0.020 1 287 158 38 ASN HB2 H 2.672 0.020 2 288 158 38 ASN HB3 H 2.598 0.020 2 289 158 38 ASN CA C 54.578 0.300 1 290 158 38 ASN CB C 39.692 0.300 1 291 158 38 ASN N N 122.622 0.300 1 292 159 39 VAL H H 8.775 0.020 1 293 159 39 VAL HA H 4.135 0.020 1 294 159 39 VAL HB H 1.880 0.020 1 295 159 39 VAL HG1 H 0.815 0.020 1 296 159 39 VAL HG2 H 0.967 0.020 1 297 159 39 VAL C C 175.076 0.300 1 298 159 39 VAL CA C 61.706 0.300 1 299 159 39 VAL CB C 32.722 0.300 1 300 159 39 VAL CG1 C 21.341 0.300 1 301 159 39 VAL N N 128.044 0.300 1 302 160 40 ALA H H 8.762 0.020 1 303 160 40 ALA HA H 4.451 0.020 1 304 160 40 ALA HB H 1.324 0.020 1 305 160 40 ALA C C 176.564 0.300 1 306 160 40 ALA CA C 52.246 0.300 1 307 160 40 ALA CB C 18.262 0.300 1 308 160 40 ALA N N 132.042 0.300 1 309 161 41 LEU H H 8.298 0.020 1 310 161 41 LEU HA H 4.970 0.020 1 311 161 41 LEU HB2 H 2.393 0.020 1 312 161 41 LEU HB3 H 2.393 0.020 1 313 161 41 LEU HG H 1.810 0.020 1 314 161 41 LEU HD1 H 0.801 0.020 1 315 161 41 LEU HD2 H 0.801 0.020 1 316 161 41 LEU C C 177.514 0.300 1 317 161 41 LEU CA C 53.016 0.300 1 318 161 41 LEU CB C 46.178 0.300 1 319 161 41 LEU CG C 27.125 0.300 1 320 161 41 LEU CD1 C 23.828 0.300 1 321 161 41 LEU N N 123.636 0.300 1 322 162 42 SER H H 9.370 0.020 1 323 162 42 SER HA H 4.489 0.020 1 324 162 42 SER HB2 H 4.300 0.020 2 325 162 42 SER HB3 H 4.040 0.020 2 326 162 42 SER C C 174.454 0.300 1 327 162 42 SER CA C 57.229 0.300 1 328 162 42 SER CB C 64.527 0.300 1 329 162 42 SER N N 119.269 0.300 1 330 163 43 THR H H 8.698 0.020 1 331 163 43 THR HA H 4.050 0.020 1 332 163 43 THR HB H 4.190 0.020 1 333 163 43 THR HG2 H 1.262 0.020 1 334 163 43 THR C C 175.718 0.300 1 335 163 43 THR CA C 66.104 0.300 1 336 163 43 THR CB C 68.824 0.300 1 337 163 43 THR N N 117.304 0.300 1 338 164 44 ALA H H 8.208 0.020 1 339 164 44 ALA HA H 4.238 0.020 1 340 164 44 ALA HB H 1.359 0.020 1 341 164 44 ALA C C 180.526 0.300 1 342 164 44 ALA CA C 54.566 0.300 1 343 164 44 ALA CB C 18.782 0.300 1 344 164 44 ALA N N 121.172 0.300 1 345 165 45 ASP H H 7.791 0.020 1 346 165 45 ASP HA H 4.324 0.020 1 347 165 45 ASP HB2 H 2.851 0.020 2 348 165 45 ASP HB3 H 2.495 0.020 2 349 165 45 ASP C C 178.157 0.300 1 350 165 45 ASP CA C 57.219 0.300 1 351 165 45 ASP CB C 39.208 0.300 1 352 165 45 ASP N N 120.908 0.300 1 353 166 46 PHE H H 8.819 0.020 1 354 166 46 PHE HA H 3.670 0.020 1 355 166 46 PHE HB2 H 3.313 0.020 2 356 166 46 PHE HB3 H 2.963 0.020 2 357 166 46 PHE C C 177.206 0.300 1 358 166 46 PHE CA C 62.538 0.300 1 359 166 46 PHE CB C 38.664 0.300 1 360 166 46 PHE N N 121.968 0.300 1 361 167 47 ASP H H 8.362 0.020 1 362 167 47 ASP HA H 4.504 0.020 1 363 167 47 ASP HB2 H 2.831 0.020 1 364 167 47 ASP HB3 H 2.831 0.020 1 365 167 47 ASP C C 179.181 0.300 1 366 167 47 ASP CA C 57.791 0.300 1 367 167 47 ASP CB C 39.498 0.300 1 368 167 47 ASP N N 119.641 0.300 1 369 168 48 LEU H H 7.927 0.020 1 370 168 48 LEU HA H 4.085 0.020 1 371 168 48 LEU HB2 H 1.935 0.020 1 372 168 48 LEU HB3 H 1.935 0.020 1 373 168 48 LEU HD1 H 0.732 0.020 1 374 168 48 LEU HD2 H 0.732 0.020 1 375 168 48 LEU C C 177.539 0.300 1 376 168 48 LEU CA C 58.072 0.300 1 377 168 48 LEU CB C 41.725 0.300 1 378 168 48 LEU CD1 C 27.301 0.300 1 379 168 48 LEU N N 122.659 0.300 1 380 169 49 LEU H H 8.266 0.020 1 381 169 49 LEU HA H 3.745 0.020 1 382 169 49 LEU HB2 H 1.876 0.020 1 383 169 49 LEU HB3 H 1.876 0.020 1 384 169 49 LEU HG H 1.356 0.020 1 385 169 49 LEU HD1 H 0.708 0.020 1 386 169 49 LEU HD2 H 0.708 0.020 1 387 169 49 LEU C C 177.488 0.300 1 388 169 49 LEU CA C 57.869 0.300 1 389 169 49 LEU CB C 40.893 0.300 1 390 169 49 LEU CG C 27.657 0.300 1 391 169 49 LEU CD1 C 22.757 0.300 1 392 169 49 LEU N N 120.034 0.300 1 393 170 50 TRP H H 9.087 0.020 1 394 170 50 TRP HA H 3.807 0.020 1 395 170 50 TRP HB2 H 2.930 0.020 1 396 170 50 TRP HB3 H 2.930 0.020 1 397 170 50 TRP HE1 H 10.106 0.020 1 398 170 50 TRP C C 178.961 0.300 1 399 170 50 TRP CA C 60.277 0.300 1 400 170 50 TRP CB C 29.044 0.300 1 401 170 50 TRP N N 118.691 0.300 1 402 171 51 GLU H H 7.941 0.020 1 403 171 51 GLU HA H 3.855 0.020 1 404 171 51 GLU HB2 H 2.141 0.020 1 405 171 51 GLU HB3 H 2.141 0.020 1 406 171 51 GLU HG2 H 2.431 0.020 1 407 171 51 GLU HG3 H 2.431 0.020 1 408 171 51 GLU C C 178.824 0.300 1 409 171 51 GLU CA C 59.347 0.300 1 410 171 51 GLU CB C 29.566 0.300 1 411 171 51 GLU CG C 35.604 0.300 1 412 171 51 GLU N N 119.799 0.300 1 413 172 52 LEU H H 7.889 0.020 1 414 172 52 LEU HA H 3.847 0.020 1 415 172 52 LEU HB2 H 1.857 0.020 1 416 172 52 LEU HB3 H 1.857 0.020 1 417 172 52 LEU HG H 1.204 0.020 1 418 172 52 LEU HD1 H 0.691 0.020 1 419 172 52 LEU HD2 H 0.691 0.020 1 420 172 52 LEU C C 178.209 0.300 1 421 172 52 LEU CA C 58.297 0.300 1 422 172 52 LEU CB C 42.403 0.300 1 423 172 52 LEU CG C 25.965 0.300 1 424 172 52 LEU N N 119.561 0.300 1 425 173 53 ALA H H 8.586 0.020 1 426 173 53 ALA HA H 2.326 0.020 1 427 173 53 ALA HB H 0.334 0.020 1 428 173 53 ALA C C 180.090 0.300 1 429 173 53 ALA CA C 54.237 0.300 1 430 173 53 ALA CB C 18.247 0.300 1 431 173 53 ALA N N 119.897 0.300 1 432 174 54 THR H H 7.568 0.020 1 433 174 54 THR HA H 3.629 0.020 1 434 174 54 THR HB H 3.718 0.020 1 435 174 54 THR HG2 H -0.046 0.020 1 436 174 54 THR C C 174.487 0.300 1 437 174 54 THR CA C 63.089 0.300 1 438 174 54 THR CB C 69.223 0.300 1 439 174 54 THR CG2 C 20.943 0.300 1 440 174 54 THR N N 106.101 0.300 1 441 175 55 HIS H H 7.018 0.020 1 442 175 55 HIS HA H 4.624 0.020 1 443 175 55 HIS HB2 H 3.449 0.020 2 444 175 55 HIS HB3 H 2.939 0.020 2 445 175 55 HIS HD2 H 7.228 0.020 1 446 175 55 HIS C C 173.976 0.300 1 447 175 55 HIS CA C 54.869 0.300 1 448 175 55 HIS CB C 28.583 0.300 1 449 175 55 HIS CD2 C 112.901 0.300 1 450 175 55 HIS N N 119.755 0.300 1 451 176 56 ALA H H 6.843 0.020 1 452 176 56 ALA HA H 4.190 0.020 1 453 176 56 ALA HB H 1.427 0.020 1 454 176 56 ALA C C 179.064 0.300 1 455 176 56 ALA CA C 54.531 0.300 1 456 176 56 ALA CB C 19.363 0.300 1 457 176 56 ALA N N 121.377 0.300 1 458 177 57 GLY H H 9.192 0.020 1 459 177 57 GLY HA2 H 3.648 0.020 1 460 177 57 GLY HA3 H 4.304 0.020 1 461 177 57 GLY C C 172.662 0.300 1 462 177 57 GLY CA C 45.288 0.300 1 463 177 57 GLY N N 109.492 0.300 1 464 178 58 GLN H H 8.269 0.020 1 465 178 58 GLN HA H 4.609 0.020 1 466 178 58 GLN HB2 H 2.121 0.020 1 467 178 58 GLN HB3 H 2.121 0.020 1 468 178 58 GLN C C 174.692 0.300 1 469 178 58 GLN CA C 53.913 0.300 1 470 178 58 GLN CB C 30.366 0.300 1 471 178 58 GLN N N 119.445 0.300 1 472 179 59 ILE H H 8.639 0.020 1 473 179 59 ILE HA H 3.815 0.020 1 474 179 59 ILE HB H 1.636 0.020 1 475 179 59 ILE HG12 H 0.735 0.020 1 476 179 59 ILE HG13 H 0.735 0.020 1 477 179 59 ILE HD1 H 0.539 0.020 1 478 179 59 ILE C C 176.157 0.300 1 479 179 59 ILE CA C 62.450 0.300 1 480 179 59 ILE CB C 37.756 0.300 1 481 179 59 ILE CG1 C 29.054 0.300 1 482 179 59 ILE CD1 C 17.667 0.300 1 483 179 59 ILE N N 122.694 0.300 1 484 180 60 MET H H 9.378 0.020 1 485 180 60 MET HA H 4.813 0.020 1 486 180 60 MET HB2 H 1.974 0.020 1 487 180 60 MET HB3 H 1.974 0.020 1 488 180 60 MET HG2 H 2.409 0.020 1 489 180 60 MET HG3 H 2.409 0.020 1 490 180 60 MET C C 174.792 0.300 1 491 180 60 MET CA C 53.124 0.300 1 492 180 60 MET CB C 32.925 0.300 1 493 180 60 MET CG C 31.991 0.300 1 494 180 60 MET N N 128.960 0.300 1 495 181 61 ASP H H 8.422 0.020 1 496 181 61 ASP HA H 4.761 0.020 1 497 181 61 ASP HB2 H 2.916 0.020 1 498 181 61 ASP HB3 H 2.916 0.020 1 499 181 61 ASP C C 176.169 0.300 1 500 181 61 ASP CA C 52.912 0.300 1 501 181 61 ASP CB C 42.094 0.300 1 502 181 61 ASP N N 123.530 0.300 1 503 182 62 ARG H H 8.729 0.020 1 504 182 62 ARG HA H 3.851 0.020 1 505 182 62 ARG HB2 H 1.883 0.020 1 506 182 62 ARG HB3 H 1.883 0.020 1 507 182 62 ARG HG2 H 1.656 0.020 1 508 182 62 ARG HG3 H 1.656 0.020 1 509 182 62 ARG HD2 H 3.373 0.020 1 510 182 62 ARG HD3 H 3.373 0.020 1 511 182 62 ARG HE H 7.750 0.020 1 512 182 62 ARG C C 177.334 0.300 1 513 182 62 ARG CA C 60.521 0.300 1 514 182 62 ARG CB C 30.202 0.300 1 515 182 62 ARG CD C 43.413 0.300 1 516 182 62 ARG N N 120.426 0.300 1 517 183 63 ASP H H 8.325 0.020 1 518 183 63 ASP HA H 4.364 0.020 1 519 183 63 ASP HB2 H 2.672 0.020 1 520 183 63 ASP HB3 H 2.672 0.020 1 521 183 63 ASP C C 178.291 0.300 1 522 183 63 ASP CA C 57.398 0.300 1 523 183 63 ASP CB C 40.079 0.300 1 524 183 63 ASP N N 117.404 0.300 1 525 184 64 ALA H H 7.953 0.020 1 526 184 64 ALA HA H 4.064 0.020 1 527 184 64 ALA HB H 1.452 0.020 1 528 184 64 ALA C C 180.393 0.300 1 529 184 64 ALA CA C 54.388 0.300 1 530 184 64 ALA CB C 18.501 0.300 1 531 184 64 ALA N N 123.020 0.300 1 532 185 65 LEU H H 7.905 0.020 1 533 185 65 LEU HA H 3.985 0.020 1 534 185 65 LEU HB2 H 1.884 0.020 1 535 185 65 LEU HB3 H 1.884 0.020 1 536 185 65 LEU HG H 1.284 0.020 1 537 185 65 LEU HD1 H 0.749 0.020 1 538 185 65 LEU HD2 H 0.749 0.020 1 539 185 65 LEU C C 178.354 0.300 1 540 185 65 LEU CA C 57.005 0.300 1 541 185 65 LEU CB C 42.015 0.300 1 542 185 65 LEU CG C 24.918 0.300 1 543 185 65 LEU CD1 C 25.859 0.300 1 544 185 65 LEU N N 117.184 0.300 1 545 186 66 LEU H H 8.052 0.020 1 546 186 66 LEU HA H 3.984 0.020 1 547 186 66 LEU HB2 H 1.755 0.020 1 548 186 66 LEU HB3 H 1.755 0.020 1 549 186 66 LEU HG H 1.615 0.020 1 550 186 66 LEU HD1 H 0.824 0.020 2 551 186 66 LEU HD2 H 0.880 0.020 2 552 186 66 LEU C C 179.064 0.300 1 553 186 66 LEU CA C 56.763 0.300 1 554 186 66 LEU CB C 41.775 0.300 1 555 186 66 LEU CG C 26.829 0.300 1 556 186 66 LEU CD1 C 24.250 0.300 1 557 186 66 LEU N N 117.983 0.300 1 558 187 67 LYS H H 7.708 0.020 1 559 187 67 LYS HA H 3.982 0.020 1 560 187 67 LYS HB2 H 1.813 0.020 2 561 187 67 LYS HB3 H 1.867 0.020 2 562 187 67 LYS HG2 H 1.430 0.020 1 563 187 67 LYS HG3 H 1.430 0.020 1 564 187 67 LYS HD2 H 1.631 0.020 1 565 187 67 LYS HD3 H 1.631 0.020 1 566 187 67 LYS HE2 H 2.940 0.020 1 567 187 67 LYS HE3 H 2.940 0.020 1 568 187 67 LYS C C 178.052 0.300 1 569 187 67 LYS CA C 58.897 0.300 1 570 187 67 LYS CB C 32.104 0.300 1 571 187 67 LYS CG C 27.243 0.300 1 572 187 67 LYS CD C 28.72 0.300 1 573 187 67 LYS N N 118.745 0.300 1 574 188 68 ASN H H 7.954 0.020 1 575 188 68 ASN HA H 4.653 0.020 1 576 188 68 ASN HB2 H 2.871 0.020 2 577 188 68 ASN HB3 H 2.641 0.020 2 578 188 68 ASN HD21 H 7.102 0.020 2 579 188 68 ASN HD22 H 7.675 0.020 2 580 188 68 ASN C C 175.618 0.300 1 581 188 68 ASN CA C 54.017 0.300 1 582 188 68 ASN CB C 38.918 0.300 1 583 188 68 ASN N N 115.653 0.300 1 584 188 68 ASN ND2 N 113.523 0.300 1 585 189 69 LEU H H 7.733 0.020 1 586 189 69 LEU HA H 4.405 0.020 1 587 189 69 LEU HB2 H 1.718 0.020 1 588 189 69 LEU HB3 H 1.718 0.020 1 589 189 69 LEU HG H 1.572 0.020 1 590 189 69 LEU HD1 H 0.814 0.020 1 591 189 69 LEU HD2 H 0.814 0.020 1 592 189 69 LEU C C 177.153 0.300 1 593 189 69 LEU CA C 55.206 0.300 1 594 189 69 LEU CB C 42.015 0.300 1 595 189 69 LEU CG C 25.607 0.300 1 596 189 69 LEU CD1 C 23.363 0.300 1 597 189 69 LEU N N 120.214 0.300 1 598 190 70 ARG H H 8.127 0.020 1 599 190 70 ARG HA H 4.385 0.020 1 600 190 70 ARG HB2 H 1.845 0.020 1 601 190 70 ARG HB3 H 1.845 0.020 1 602 190 70 ARG HG2 H 1.615 0.020 1 603 190 70 ARG HG3 H 1.615 0.020 1 604 190 70 ARG HD2 H 3.154 0.020 1 605 190 70 ARG HD3 H 3.154 0.020 1 606 190 70 ARG C C 177.057 0.300 1 607 190 70 ARG CA C 56.245 0.300 1 608 190 70 ARG CB C 30.764 0.300 1 609 190 70 ARG CG C 27.443 0.300 1 610 190 70 ARG CD C 43.147 0.300 1 611 190 70 ARG N N 119.518 0.300 1 612 191 71 GLY H H 8.432 0.020 1 613 191 71 GLY HA2 H 3.991 0.020 2 614 191 71 GLY HA3 H 3.900 0.020 2 615 191 71 GLY C C 174.384 0.300 1 616 191 71 GLY CA C 45.355 0.300 1 617 191 71 GLY N N 109.421 0.300 1 618 192 72 VAL H H 7.758 0.020 1 619 192 72 VAL HA H 4.188 0.020 1 620 192 72 VAL HB H 2.054 0.020 1 621 192 72 VAL HG1 H 0.839 0.020 1 622 192 72 VAL HG2 H 0.839 0.020 1 623 192 72 VAL C C 175.905 0.300 1 624 192 72 VAL CA C 61.722 0.300 1 625 192 72 VAL CB C 33.000 0.300 1 626 192 72 VAL CG1 C 20.339 0.300 1 627 192 72 VAL N N 117.704 0.300 1 628 193 73 THR H H 8.048 0.020 1 629 193 73 THR HA H 4.305 0.020 1 630 193 73 THR HB H 3.718 0.020 1 631 193 73 THR HG2 H 1.087 0.020 1 632 193 73 THR C C 174.178 0.300 1 633 193 73 THR CA C 61.670 0.300 1 634 193 73 THR CB C 69.334 0.300 1 635 193 73 THR CG2 C 21.521 0.300 1 636 193 73 THR N N 116.174 0.300 1 637 194 74 TYR H H 8.224 0.020 1 638 194 74 TYR HA H 4.608 0.020 1 639 194 74 TYR HB2 H 3.088 0.020 2 640 194 74 TYR HB3 H 2.871 0.020 2 641 194 74 TYR HD1 H 6.669 0.020 1 642 194 74 TYR HD2 H 6.669 0.020 1 643 194 74 TYR HE1 H 6.968 0.020 1 644 194 74 TYR HE2 H 6.968 0.020 1 645 194 74 TYR C C 175.618 0.300 1 646 194 74 TYR CA C 57.760 0.300 1 647 194 74 TYR CB C 38.817 0.300 1 648 194 74 TYR CD1 C 131.020 0.300 1 649 194 74 TYR CE1 C 115.876 0.300 1 650 194 74 TYR N N 122.520 0.300 1 651 195 75 ASP H H 8.213 0.020 1 652 195 75 ASP HA H 4.589 0.020 1 653 195 75 ASP HB2 H 2.672 0.020 1 654 195 75 ASP HB3 H 2.672 0.020 1 655 195 75 ASP C C 176.547 0.300 1 656 195 75 ASP CA C 54.038 0.300 1 657 195 75 ASP CB C 41.144 0.300 1 658 195 75 ASP N N 122.090 0.300 1 659 196 76 GLY H H 7.861 0.020 1 660 196 76 GLY HA2 H 3.808 0.020 2 661 196 76 GLY HA3 H 4.002 0.020 2 662 196 76 GLY C C 174.641 0.300 1 663 196 76 GLY CA C 45.511 0.300 1 664 196 76 GLY N N 108.479 0.300 1 665 197 77 MET H H 8.203 0.020 1 666 197 77 MET HA H 4.444 0.020 1 667 197 77 MET HB2 H 2.000 0.020 1 668 197 77 MET HB3 H 2.000 0.020 1 669 197 77 MET HG2 H 2.452 0.020 1 670 197 77 MET HG3 H 2.452 0.020 1 671 197 77 MET C C 176.270 0.300 1 672 197 77 MET CA C 55.761 0.300 1 673 197 77 MET CB C 32.819 0.300 1 674 197 77 MET CG C 30.796 0.300 1 675 197 77 MET N N 119.720 0.300 1 676 198 78 ASP H H 8.512 0.020 1 677 198 78 ASP HA H 4.484 0.020 1 678 198 78 ASP HB2 H 2.712 0.020 1 679 198 78 ASP HB3 H 2.712 0.020 1 680 198 78 ASP C C 176.846 0.300 1 681 198 78 ASP CA C 55.462 0.300 1 682 198 78 ASP CB C 40.854 0.300 1 683 198 78 ASP N N 121.106 0.300 1 684 199 79 ARG H H 8.399 0.020 1 685 199 79 ARG HA H 4.404 0.020 1 686 199 79 ARG HB2 H 1.732 0.020 1 687 199 79 ARG HB3 H 1.732 0.020 1 688 199 79 ARG HG2 H 1.606 0.020 1 689 199 79 ARG HG3 H 1.606 0.020 1 690 199 79 ARG HD2 H 3.140 0.020 1 691 199 79 ARG HD3 H 3.140 0.020 1 692 199 79 ARG C C 176.363 0.300 1 693 199 79 ARG CA C 55.942 0.300 1 694 199 79 ARG CB C 29.999 0.300 1 695 199 79 ARG CG C 27.446 0.300 1 696 199 79 ARG CD C 43.524 0.300 1 697 199 79 ARG N N 121.446 0.300 1 698 200 80 SER H H 8.052 0.020 1 699 200 80 SER HA H 3.985 0.020 1 700 200 80 SER C C 176.312 0.300 1 701 200 80 SER CA C 59.590 0.300 1 702 200 80 SER CB C 63.525 0.300 1 703 200 80 SER N N 115.163 0.300 1 704 201 81 VAL H H 8.583 0.020 1 705 201 81 VAL HA H 3.646 0.020 1 706 201 81 VAL HB H 2.034 0.020 1 707 201 81 VAL HG1 H 0.808 0.020 1 708 201 81 VAL HG2 H 0.808 0.020 1 709 201 81 VAL C C 176.152 0.300 1 710 201 81 VAL CA C 65.530 0.300 1 711 201 81 VAL CB C 31.741 0.300 1 712 201 81 VAL CG1 C 21.864 0.300 1 713 201 81 VAL N N 124.322 0.300 1 714 202 82 ASP H H 7.957 0.020 1 715 202 82 ASP HA H 4.125 0.020 1 716 202 82 ASP HB2 H 2.672 0.020 1 717 202 82 ASP HB3 H 2.672 0.020 1 718 202 82 ASP C C 178.985 0.300 1 719 202 82 ASP CA C 57.901 0.300 1 720 202 82 ASP CB C 40.660 0.300 1 721 202 82 ASP N N 119.500 0.300 1 722 203 83 VAL H H 7.883 0.020 1 723 203 83 VAL HA H 3.677 0.020 1 724 203 83 VAL HB H 2.032 0.020 1 725 203 83 VAL HG1 H 1.032 0.020 2 726 203 83 VAL HG2 H 0.959 0.020 2 727 203 83 VAL C C 178.651 0.300 1 728 203 83 VAL CA C 65.711 0.300 1 729 203 83 VAL CB C 31.632 0.300 1 730 203 83 VAL CG1 C 22.415 0.300 1 731 203 83 VAL N N 119.861 0.300 1 732 204 84 ALA H H 7.585 0.020 1 733 204 84 ALA HA H 3.965 0.020 1 734 204 84 ALA HB H 1.417 0.020 1 735 204 84 ALA C C 179.592 0.300 1 736 204 84 ALA CA C 55.183 0.300 1 737 204 84 ALA CB C 19.550 0.300 1 738 204 84 ALA N N 125.237 0.300 1 739 205 85 ILE H H 8.394 0.020 1 740 205 85 ILE HA H 3.449 0.020 1 741 205 85 ILE HB H 1.908 0.020 1 742 205 85 ILE HG12 H 1.164 0.020 1 743 205 85 ILE HG13 H 1.164 0.020 1 744 205 85 ILE HG2 H 0.451 0.020 1 745 205 85 ILE HD1 H 0.046 0.020 1 746 205 85 ILE C C 178.333 0.300 1 747 205 85 ILE CA C 62.321 0.300 1 748 205 85 ILE CB C 34.465 0.300 1 749 205 85 ILE CG1 C 25.758 0.300 1 750 205 85 ILE CG2 C 15.940 0.300 1 751 205 85 ILE CD1 C 9.825 0.300 1 752 205 85 ILE N N 118.268 0.300 1 753 207 87 ARG H H 7.831 0.020 1 754 207 87 ARG HA H 4.388 0.020 1 755 207 87 ARG HB2 H 2.606 0.020 1 756 207 87 ARG HB3 H 2.606 0.020 1 757 207 87 ARG HD2 H 4.106 0.020 1 758 207 87 ARG HD3 H 4.106 0.020 1 759 207 87 ARG HE H 10.190 0.020 1 760 207 87 ARG C C 179.027 0.300 1 761 207 87 ARG CA C 59.513 0.300 1 762 207 87 ARG CB C 30.972 0.300 1 763 207 87 ARG N N 123.556 0.300 1 764 208 88 LEU H H 8.510 0.020 1 765 208 88 LEU HA H 3.847 0.020 1 766 208 88 LEU HB2 H 2.034 0.020 1 767 208 88 LEU HB3 H 2.034 0.020 1 768 208 88 LEU HG H 1.229 0.020 1 769 208 88 LEU HD1 H 0.864 0.020 1 770 208 88 LEU HD2 H 0.864 0.020 1 771 208 88 LEU C C 178.822 0.300 1 772 208 88 LEU CA C 58.143 0.300 1 773 208 88 LEU CB C 42.473 0.300 1 774 208 88 LEU CG C 25.542 0.300 1 775 208 88 LEU CD1 C 22.503 0.300 1 776 208 88 LEU N N 119.608 0.300 1 777 209 89 ARG H H 8.661 0.020 1 778 209 89 ARG HA H 4.403 0.020 1 779 209 89 ARG HB2 H 3.114 0.020 1 780 209 89 ARG HB3 H 3.114 0.020 1 781 209 89 ARG HD2 H 3.688 0.020 1 782 209 89 ARG HD3 H 3.688 0.020 1 783 209 89 ARG C C 177.957 0.300 1 784 209 89 ARG CA C 59.879 0.300 1 785 209 89 ARG CB C 30.319 0.300 1 786 209 89 ARG N N 116.265 0.300 1 787 210 90 LYS H H 7.471 0.020 1 788 210 90 LYS HA H 4.162 0.020 1 789 210 90 LYS HB2 H 1.961 0.020 2 790 210 90 LYS HB3 H 1.994 0.020 2 791 210 90 LYS HG2 H 1.539 0.020 1 792 210 90 LYS HG3 H 1.539 0.020 1 793 210 90 LYS HD2 H 1.588 0.020 1 794 210 90 LYS HD3 H 1.588 0.020 1 795 210 90 LYS HE2 H 2.975 0.020 1 796 210 90 LYS HE3 H 2.975 0.020 1 797 210 90 LYS C C 180.797 0.300 1 798 210 90 LYS CA C 58.928 0.300 1 799 210 90 LYS CB C 32.432 0.300 1 800 210 90 LYS CD C 24.849 0.300 1 801 210 90 LYS CE C 41.742 0.300 1 802 210 90 LYS N N 117.306 0.300 1 803 211 91 LYS H H 8.229 0.020 1 804 211 91 LYS HA H 4.066 0.020 1 805 211 91 LYS HG2 H 1.575 0.020 1 806 211 91 LYS HG3 H 1.575 0.020 1 807 211 91 LYS C C 176.675 0.300 1 808 211 91 LYS CA C 58.297 0.300 1 809 211 91 LYS CB C 32.455 0.300 1 810 211 91 LYS N N 119.013 0.300 1 811 212 92 LEU H H 8.062 0.020 1 812 212 92 LEU HA H 4.626 0.020 1 813 212 92 LEU HB2 H 2.253 0.020 1 814 212 92 LEU HB3 H 2.253 0.020 1 815 212 92 LEU HG H 1.807 0.020 1 816 212 92 LEU HD1 H 0.998 0.020 1 817 212 92 LEU HD2 H 0.998 0.020 1 818 212 92 LEU C C 173.486 0.300 1 819 212 92 LEU CA C 53.193 0.300 1 820 212 92 LEU CB C 39.305 0.300 1 821 212 92 LEU CG C 26.953 0.300 1 822 212 92 LEU CD1 C 23.311 0.300 1 823 212 92 LEU N N 114.000 0.300 1 824 213 93 LEU H H 7.288 0.020 1 825 213 93 LEU HA H 3.927 0.020 1 826 213 93 LEU HB2 H 1.835 0.020 1 827 213 93 LEU HB3 H 1.835 0.020 1 828 213 93 LEU HG H 1.548 0.020 1 829 213 93 LEU HD1 H 0.950 0.020 2 830 213 93 LEU HD2 H 0.897 0.020 2 831 213 93 LEU C C 176.023 0.300 1 832 213 93 LEU CA C 55.487 0.300 1 833 213 93 LEU CB C 37.379 0.300 1 834 213 93 LEU CG C 24.948 0.300 1 835 213 93 LEU CD1 C 21.147 0.300 1 836 213 93 LEU N N 110.940 0.300 1 837 214 94 ASP H H 8.525 0.020 1 838 214 94 ASP HA H 4.325 0.020 1 839 214 94 ASP HB2 H 2.453 0.020 2 840 214 94 ASP HB3 H 2.016 0.020 2 841 214 94 ASP C C 176.589 0.300 1 842 214 94 ASP CA C 52.336 0.300 1 843 214 94 ASP CB C 42.306 0.300 1 844 214 94 ASP N N 117.184 0.300 1 845 216 96 ALA H H 8.599 0.020 1 846 216 96 ALA HA H 3.965 0.020 1 847 216 96 ALA HB H 1.457 0.020 1 848 216 96 ALA C C 178.954 0.300 1 849 216 96 ALA CA C 54.500 0.300 1 850 216 96 ALA CB C 19.363 0.300 1 851 216 96 ALA N N 125.976 0.300 1 852 217 97 THR H H 7.982 0.020 1 853 217 97 THR HA H 4.184 0.020 1 854 217 97 THR HB H 4.100 0.020 1 855 217 97 THR HG2 H 1.211 0.020 1 856 217 97 THR C C 174.792 0.300 1 857 217 97 THR CA C 63.974 0.300 1 858 217 97 THR CB C 69.024 0.300 1 859 217 97 THR CG2 C 21.881 0.300 1 860 217 97 THR N N 110.786 0.300 1 861 218 98 GLU H H 7.798 0.020 1 862 218 98 GLU HA H 4.591 0.020 1 863 218 98 GLU HB2 H 1.746 0.020 1 864 218 98 GLU HB3 H 1.746 0.020 1 865 218 98 GLU HG2 H 2.046 0.020 2 866 218 98 GLU HG3 H 2.114 0.020 2 867 218 98 GLU C C 171.109 0.300 1 868 218 98 GLU CA C 53.601 0.300 1 869 218 98 GLU CB C 30.159 0.300 1 870 218 98 GLU CG C 36.103 0.300 1 871 218 98 GLU N N 121.955 0.300 1 872 220 100 TYR H H 11.045 0.020 1 873 220 100 TYR HA H 4.646 0.020 1 874 220 100 TYR HB2 H 3.011 0.020 2 875 220 100 TYR HB3 H 2.801 0.020 2 876 220 100 TYR C C 172.879 0.300 1 877 220 100 TYR CA C 56.837 0.300 1 878 220 100 TYR CB C 40.290 0.300 1 879 220 100 TYR N N 124.724 0.300 1 880 221 101 ARG H H 8.333 0.020 1 881 221 101 ARG HA H 3.442 0.020 1 882 221 101 ARG HB2 H 0.858 0.020 2 883 221 101 ARG HB3 H 0.611 0.020 2 884 221 101 ARG HG2 H -0.037 0.020 2 885 221 101 ARG HG3 H -0.627 0.020 2 886 221 101 ARG HD2 H 1.754 0.020 2 887 221 101 ARG HD3 H 1.277 0.020 2 888 221 101 ARG C C 175.284 0.300 1 889 221 101 ARG CA C 58.201 0.300 1 890 221 101 ARG CB C 29.750 0.300 1 891 221 101 ARG CG C 27.458 0.300 1 892 221 101 ARG CD C 41.585 0.300 1 893 221 101 ARG N N 124.541 0.300 1 894 223 103 LYS H H 9.331 0.020 1 895 223 103 LYS HA H 4.115 0.020 1 896 223 103 LYS HB2 H 1.734 0.020 1 897 223 103 LYS HB3 H 1.734 0.020 1 898 223 103 LYS HG2 H 1.178 0.020 1 899 223 103 LYS HG3 H 1.178 0.020 1 900 223 103 LYS HD2 H 1.627 0.020 1 901 223 103 LYS HD3 H 1.627 0.020 1 902 223 103 LYS C C 176.795 0.300 1 903 223 103 LYS CA C 56.562 0.300 1 904 223 103 LYS CB C 34.367 0.300 1 905 223 103 LYS CG C 25.119 0.300 1 906 223 103 LYS CD C 28.973 0.300 1 907 223 103 LYS N N 126.314 0.300 1 908 224 104 THR H H 9.103 0.020 1 909 224 104 THR HA H 4.300 0.020 1 910 224 104 THR HB H 4.043 0.020 1 911 224 104 THR HG2 H 1.033 0.020 1 912 224 104 THR C C 174.101 0.300 1 913 224 104 THR CA C 62.828 0.300 1 914 224 104 THR CB C 69.673 0.300 1 915 224 104 THR N N 119.999 0.300 1 916 225 105 VAL H H 8.609 0.020 1 917 225 105 VAL HA H 4.073 0.020 1 918 225 105 VAL HB H 1.550 0.020 1 919 225 105 VAL HG1 H 0.641 0.020 2 920 225 105 VAL HG2 H 0.797 0.020 2 921 225 105 VAL C C 175.034 0.300 1 922 225 105 VAL CA C 61.415 0.300 1 923 225 105 VAL CB C 31.264 0.300 1 924 225 105 VAL CG1 C 20.246 0.300 1 925 225 105 VAL CG2 C 20.936 0.300 1 926 225 105 VAL N N 129.347 0.300 1 927 226 106 ARG H H 8.853 0.020 1 928 226 106 ARG HA H 3.765 0.020 1 929 226 106 ARG HB2 H 1.756 0.020 1 930 226 106 ARG HB3 H 1.756 0.020 1 931 226 106 ARG HG2 H 1.518 0.020 1 932 226 106 ARG HG3 H 1.518 0.020 1 933 226 106 ARG HD2 H 3.160 0.020 1 934 226 106 ARG HD3 H 3.160 0.020 1 935 226 106 ARG C C 175.769 0.300 1 936 226 106 ARG CA C 57.936 0.300 1 937 226 106 ARG CB C 29.321 0.300 1 938 226 106 ARG CG C 27.023 0.300 1 939 226 106 ARG CD C 42.889 0.300 1 940 226 106 ARG N N 128.137 0.300 1 941 227 107 ASN H H 8.801 0.020 1 942 227 107 ASN HA H 4.364 0.020 1 943 227 107 ASN HB2 H 2.977 0.020 1 944 227 107 ASN HB3 H 2.977 0.020 1 945 227 107 ASN C C 174.794 0.300 1 946 227 107 ASN CA C 54.890 0.300 1 947 227 107 ASN CB C 37.730 0.300 1 948 227 107 ASN N N 117.544 0.300 1 949 228 108 LYS H H 8.267 0.020 1 950 228 108 LYS HA H 4.484 0.020 1 951 228 108 LYS HB2 H 1.683 0.020 1 952 228 108 LYS HB3 H 1.683 0.020 1 953 228 108 LYS HG2 H 1.400 0.020 1 954 228 108 LYS HG3 H 1.400 0.020 1 955 228 108 LYS HD2 H 1.406 0.020 1 956 228 108 LYS HD3 H 1.406 0.020 1 957 228 108 LYS HE2 H 2.952 0.020 1 958 228 108 LYS HE3 H 2.952 0.020 1 959 228 108 LYS C C 175.564 0.300 1 960 228 108 LYS CA C 56.964 0.300 1 961 228 108 LYS CB C 35.196 0.300 1 962 228 108 LYS CG C 24.706 0.300 1 963 228 108 LYS CD C 28.877 0.300 1 964 228 108 LYS CE C 41.745 0.300 1 965 228 108 LYS N N 117.519 0.300 1 966 229 109 GLY H H 7.676 0.020 1 967 229 109 GLY HA2 H 4.222 0.020 2 968 229 109 GLY HA3 H 3.490 0.020 2 969 229 109 GLY C C 171.202 0.300 1 970 229 109 GLY CA C 45.083 0.300 1 971 229 109 GLY N N 105.045 0.300 1 972 230 110 TYR H H 8.618 0.020 1 973 230 110 TYR HA H 5.442 0.020 1 974 230 110 TYR HB2 H 2.731 0.020 2 975 230 110 TYR HB3 H 2.293 0.020 2 976 230 110 TYR HD1 H 6.505 0.020 1 977 230 110 TYR HD2 H 6.505 0.020 1 978 230 110 TYR HE1 H 6.699 0.020 1 979 230 110 TYR HE2 H 6.699 0.020 1 980 230 110 TYR C C 173.460 0.300 1 981 230 110 TYR CA C 56.910 0.300 1 982 230 110 TYR CB C 43.226 0.300 1 983 230 110 TYR CE1 C 115.543 0.300 1 984 230 110 TYR N N 121.452 0.300 1 985 231 111 LEU H H 8.717 0.020 1 986 231 111 LEU HA H 4.750 0.020 1 987 231 111 LEU HB2 H 1.228 0.020 1 988 231 111 LEU HB3 H 1.228 0.020 1 989 231 111 LEU HG H 1.218 0.020 1 990 231 111 LEU HD1 H 0.609 0.020 2 991 231 111 LEU HD2 H 0.637 0.020 2 992 231 111 LEU C C 173.614 0.300 1 993 231 111 LEU CA C 54.377 0.300 1 994 231 111 LEU CB C 47.331 0.300 1 995 231 111 LEU CG C 25.540 0.300 1 996 231 111 LEU CD1 C 25.688 0.300 1 997 231 111 LEU N N 121.973 0.300 1 998 232 112 PHE H H 9.832 0.020 1 999 232 112 PHE HA H 4.723 0.020 1 1000 232 112 PHE HB2 H 3.010 0.020 2 1001 232 112 PHE HB3 H 2.568 0.020 2 1002 232 112 PHE HD1 H 6.695 0.020 1 1003 232 112 PHE HD2 H 6.695 0.020 1 1004 232 112 PHE HE1 H 6.900 0.020 1 1005 232 112 PHE HE2 H 6.900 0.020 1 1006 232 112 PHE C C 173.409 0.300 1 1007 232 112 PHE CA C 56.865 0.300 1 1008 232 112 PHE CB C 40.389 0.300 1 1009 232 112 PHE CD1 C 130.844 0.300 1 1010 232 112 PHE CE1 C 131.677 0.300 1 1011 232 112 PHE N N 130.537 0.300 1 1012 233 113 ALA H H 8.340 0.020 1 1013 233 113 ALA HA H 4.645 0.020 1 1014 233 113 ALA HB H 1.200 0.020 1 1015 233 113 ALA C C 176.205 0.300 1 1016 233 113 ALA CA C 49.182 0.300 1 1017 233 113 ALA CB C 19.583 0.300 1 1018 233 113 ALA N N 136.878 0.300 1 1019 235 115 HIS H H 8.821 0.020 1 1020 235 115 HIS HA H 5.195 0.020 1 1021 235 115 HIS HB2 H 3.462 0.020 2 1022 235 115 HIS HB3 H 3.166 0.020 2 1023 235 115 HIS C C 174.717 0.300 1 1024 235 115 HIS CA C 55.399 0.300 1 1025 235 115 HIS CB C 28.895 0.300 1 1026 235 115 HIS N N 115.690 0.300 1 1027 236 116 ALA H H 6.585 0.020 1 1028 236 116 ALA HA H 4.532 0.020 1 1029 236 116 ALA HB H 0.894 0.020 1 1030 236 116 ALA C C 175.951 0.300 1 1031 236 116 ALA CA C 51.958 0.300 1 1032 236 116 ALA CB C 21.835 0.300 1 1033 236 116 ALA N N 121.591 0.300 1 stop_ save_