data_6940 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; NMR assignment of the 2H, 13C, 15N labeled amino-terminal domain of apo-pantothenate synthetase from E.coli. ; _BMRB_accession_number 6940 _BMRB_flat_file_name bmr6940.str _Entry_type original _Submission_date 2006-01-16 _Accession_date 2006-01-17 _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 Chakrabarti 'Kalyan Sundar' . . 2 Sarma Siddhartha P. . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 152 "13C chemical shifts" 470 "15N chemical shifts" 152 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2007-02-08 update BMRB 'complete entry citation' 2006-06-26 original author 'original release' stop_ save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full . _Citation_title ; NMR Assignment of 2H, 13C and 15N Labeled Amino-Terminal Domain of Apo-Pantothenate Synthetase from E. coli ; _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 16705359 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Chakrabarti 'Kalyan Sundar' . . 2 Sarma Siddhartha P. . stop_ _Journal_abbreviation 'J. Biomol. NMR' _Journal_volume 36 _Journal_issue 'Suppl. 5' _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 38 _Page_last 38 _Year 2006 _Details . loop_ _Keyword NMR 'Pantothenate synthetase' Perdeuterattion stop_ save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name 'pantothenate synthetase dimer' _Enzyme_commission_number 'EC 6.3.2.1' loop_ _Mol_system_component_name _Mol_label 'amino-terminal pantothenate synthetase, chain 1' $npanc 'amino-terminal pantothenate synthetase, chain 2' $npanc stop_ _System_molecular_weight 21957.0 _System_physical_state native _System_oligomer_state protein _System_paramagnetic no _System_thiol_state unkown _Database_query_date . _Details 'Dimer of the catalytic domain (residues 1-176) of pantothenate synthetase from E.coli' save_ ######################## # Monomeric polymers # ######################## save_npanc _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common panc _Molecular_mass 19830 _Mol_thiol_state unkown _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 176 _Mol_residue_sequence ; MLIIETLPLLRQQIRRLRME GKRVALVPTMGNLHDGHMKL VDEAKARADVVAVSIFVNPM QFDRPEDLARYPRTLQEDCE KLNKRKVDLVFAPSVKEIYP NGTETHTYVDVPGLSTMLEG ASRPGHFRGVSTIVSKLFNL VQPDIACFGEKDFQQLALIR KMVADMGFDIEIVGVP ; loop_ _Residue_seq_code _Residue_label 1 MET 2 LEU 3 ILE 4 ILE 5 GLU 6 THR 7 LEU 8 PRO 9 LEU 10 LEU 11 ARG 12 GLN 13 GLN 14 ILE 15 ARG 16 ARG 17 LEU 18 ARG 19 MET 20 GLU 21 GLY 22 LYS 23 ARG 24 VAL 25 ALA 26 LEU 27 VAL 28 PRO 29 THR 30 MET 31 GLY 32 ASN 33 LEU 34 HIS 35 ASP 36 GLY 37 HIS 38 MET 39 LYS 40 LEU 41 VAL 42 ASP 43 GLU 44 ALA 45 LYS 46 ALA 47 ARG 48 ALA 49 ASP 50 VAL 51 VAL 52 ALA 53 VAL 54 SER 55 ILE 56 PHE 57 VAL 58 ASN 59 PRO 60 MET 61 GLN 62 PHE 63 ASP 64 ARG 65 PRO 66 GLU 67 ASP 68 LEU 69 ALA 70 ARG 71 TYR 72 PRO 73 ARG 74 THR 75 LEU 76 GLN 77 GLU 78 ASP 79 CYS 80 GLU 81 LYS 82 LEU 83 ASN 84 LYS 85 ARG 86 LYS 87 VAL 88 ASP 89 LEU 90 VAL 91 PHE 92 ALA 93 PRO 94 SER 95 VAL 96 LYS 97 GLU 98 ILE 99 TYR 100 PRO 101 ASN 102 GLY 103 THR 104 GLU 105 THR 106 HIS 107 THR 108 TYR 109 VAL 110 ASP 111 VAL 112 PRO 113 GLY 114 LEU 115 SER 116 THR 117 MET 118 LEU 119 GLU 120 GLY 121 ALA 122 SER 123 ARG 124 PRO 125 GLY 126 HIS 127 PHE 128 ARG 129 GLY 130 VAL 131 SER 132 THR 133 ILE 134 VAL 135 SER 136 LYS 137 LEU 138 PHE 139 ASN 140 LEU 141 VAL 142 GLN 143 PRO 144 ASP 145 ILE 146 ALA 147 CYS 148 PHE 149 GLY 150 GLU 151 LYS 152 ASP 153 PHE 154 GLN 155 GLN 156 LEU 157 ALA 158 LEU 159 ILE 160 ARG 161 LYS 162 MET 163 VAL 164 ALA 165 ASP 166 MET 167 GLY 168 PHE 169 ASP 170 ILE 171 GLU 172 ILE 173 VAL 174 GLY 175 VAL 176 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 PDB 1IHO "Crystal Apo-structure Of Pantothenate Synthetase From E. Coli" 100.00 283 99.43 99.43 2.25e-124 PDB 3GUZ "Structural And Substrate-Binding Studies Of Pantothenate Synthenate (Ps)provide Insights Into Homotropic Inhibition By Pantoate" 100.00 176 100.00 100.00 7.32e-125 DBJ BAB33560 "pantothenate synthetase [Escherichia coli O157:H7 str. Sakai]" 100.00 283 99.43 99.43 1.97e-124 DBJ BAE76042 "pantothenate synthetase [Escherichia coli str. K-12 substr. W3110]" 100.00 283 99.43 99.43 2.25e-124 DBJ BAG75657 "pantothenate synthase [Escherichia coli SE11]" 100.00 283 99.43 99.43 2.25e-124 DBJ BAI23496 "pantothenate synthetase [Escherichia coli O26:H11 str. 11368]" 100.00 283 99.43 99.43 2.06e-124 DBJ BAI29011 "pantothenate synthetase [Escherichia coli O103:H2 str. 12009]" 100.00 283 99.43 99.43 2.25e-124 EMBL CAP74704 "Pantoate--beta-alanine ligase [Escherichia coli LF82]" 100.00 283 99.43 99.43 2.33e-124 EMBL CAQ30648 "pantothenate synthetase monomer, subunit of pantothenate synthetase [Escherichia coli BL21(DE3)]" 100.00 283 99.43 99.43 2.40e-124 EMBL CAQ87737 "pantothenate synthetase [Escherichia fergusonii ATCC 35469]" 100.00 283 99.43 99.43 2.09e-124 EMBL CAQ97020 "pantothenate synthetase [Escherichia coli IAI1]" 100.00 283 99.43 99.43 2.25e-124 EMBL CAR01508 "pantothenate synthetase [Escherichia coli S88]" 100.00 283 98.86 98.86 1.91e-123 GB AAA24272 "pantothenate synthetase [Escherichia coli str. K-12 substr. W3110]" 100.00 283 99.43 99.43 2.25e-124 GB AAC73244 "pantothenate synthetase [Escherichia coli str. K-12 substr. MG1655]" 100.00 283 99.43 99.43 2.25e-124 GB AAG54437 "pantothenate synthetase [Escherichia coli O157:H7 str. EDL933]" 100.00 283 99.43 99.43 1.97e-124 GB AAN41793 "pantothenate synthetase [Shigella flexneri 2a str. 301]" 100.00 283 98.86 99.43 9.93e-124 GB AAN78658 "Pantoate--beta-alanine ligase [Escherichia coli CFT073]" 85.23 257 98.67 99.33 8.96e-105 REF NP_285829 "pantoate--beta-alanine ligase [Escherichia coli O157:H7 str. EDL933]" 100.00 283 99.43 99.43 1.97e-124 REF NP_308164 "pantoate--beta-alanine ligase [Escherichia coli O157:H7 str. Sakai]" 100.00 283 99.43 99.43 1.97e-124 REF NP_414675 "pantothenate synthetase [Escherichia coli str. K-12 substr. MG1655]" 100.00 283 99.43 99.43 2.25e-124 REF NP_706086 "pantoate--beta-alanine ligase [Shigella flexneri 2a str. 301]" 100.00 283 98.86 99.43 9.93e-124 REF NP_752114 "pantoate--beta-alanine ligase [Escherichia coli CFT073]" 85.23 257 98.67 99.33 8.96e-105 SP A1A7H9 "RecName: Full=Pantothenate synthetase; Short=PS; AltName: Full=Pantoate--beta-alanine ligase; AltName: Full=Pantoate-activating" 100.00 283 99.43 99.43 2.33e-124 SP A7ZHM3 "RecName: Full=Pantothenate synthetase; Short=PS; AltName: Full=Pantoate--beta-alanine ligase; AltName: Full=Pantoate-activating" 100.00 283 99.43 99.43 2.25e-124 SP A7ZW82 "RecName: Full=Pantothenate synthetase; Short=PS; AltName: Full=Pantoate--beta-alanine ligase; AltName: Full=Pantoate-activating" 100.00 283 99.43 99.43 2.25e-124 SP B1IQK7 "RecName: Full=Pantothenate synthetase; Short=PS; AltName: Full=Pantoate--beta-alanine ligase; AltName: Full=Pantoate-activating" 100.00 283 99.43 99.43 2.40e-124 SP B1LGT5 "RecName: Full=Pantothenate synthetase; Short=PS; AltName: Full=Pantoate--beta-alanine ligase; AltName: Full=Pantoate-activating" 100.00 283 99.43 99.43 2.59e-124 stop_ save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species $npanc 'E. coli' 562 Bacteria . Escherichia coli stop_ save_ ######################### # Experimental source # ######################### save_experimental_source _Saveframe_category experimental_source loop_ _Mol_label _Production_method _Host_organism_name_common _Genus _Species _Strain _Vector_name $npanc 'recombinant technology' 'E. coli' . . . . 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 _Concentration_min_value _Concentration_max_value _Isotopic_labeling $npanc 0.6 mM 0.55 0.65 '[U-90% 2H; U->98% 13C; U->98% 15N]' 'K2HPO4/KH2PO4 buffer' 10 mM . . . NaCl 10 mM . . . 'DTT (Dithiothreitol)' 1 mM . . . stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model Avance _Field_strength 700 _Details . save_ ############################# # NMR applied experiments # ############################# save_TROSY_1H15N_HSQC_1 _Saveframe_category NMR_applied_experiment _Experiment_name TROSY_1H15N_HSQC _Sample_label $sample_1 save_ save_TROSY_HNCA_2 _Saveframe_category NMR_applied_experiment _Experiment_name TROSY_HNCA _Sample_label $sample_1 save_ save_TROSY_HN(CO)CA_3 _Saveframe_category NMR_applied_experiment _Experiment_name TROSY_HN(CO)CA _Sample_label $sample_1 save_ save_TROSY_HNCACB_4 _Saveframe_category NMR_applied_experiment _Experiment_name TROSY_HNCACB _Sample_label $sample_1 save_ save_TROSY_HN(CO)CACB_5 _Saveframe_category NMR_applied_experiment _Experiment_name TROSY_HN(CO)CACB _Sample_label $sample_1 save_ save_TROSY-HNCO_6 _Saveframe_category NMR_applied_experiment _Experiment_name TROSY-HNCO _Sample_label $sample_1 save_ save_3D_NOE_HSQC_7 _Saveframe_category NMR_applied_experiment _Experiment_name 3D_NOE_HSQC _Sample_label $sample_1 save_ ####################### # Sample conditions # ####################### save_conditions_1 _Saveframe_category sample_conditions _Details . loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units 'ionic strength' 10 1 mM pH 6.8 0.1 pH temperature 300 0.5 K stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_referencing _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 _Indirect_shift_ratio_citation_label _Correction_value_citation_label DSS C 13 'methyl protons' ppm 0.000 external indirect . . . 0.251449519 $entry_citation $entry_citation DSS H 1 'methyl protons' ppm 0.000 external direct . . . 1.0 $entry_citation $entry_citation DSS N 15 'methyl protons' ppm 0.000 external indirect . . . 0.101329112 $entry_citation $entry_citation 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_chem_shift_list_1 _Saveframe_category assigned_chemical_shifts _Details . loop_ _Sample_label $sample_1 stop_ _Sample_conditions_label $conditions_1 _Chem_shift_reference_set_label $chemical_shift_referencing _Mol_system_component_name 'amino-terminal pantothenate synthetase, chain 1' _Text_data_format . _Text_data . loop_ _Atom_shift_assign_ID _Residue_author_seq_code _Residue_seq_code _Residue_label _Atom_name _Atom_type _Chem_shift_value _Chem_shift_value_error _Chem_shift_ambiguity_code 1 1 1 MET C C 175.12 0.09 1 2 1 1 MET CA C 55.15 0.12 1 3 1 1 MET CB C 34.10 0.27 1 4 2 2 LEU H H 7.832 0.01 1 5 2 2 LEU C C 176.42 0.09 1 6 2 2 LEU CA C 53.60 0.12 1 7 2 2 LEU CB C 42.41 0.23 1 8 2 2 LEU N N 127.88 0.23 1 9 3 3 ILE H H 8.697 0.01 1 10 3 3 ILE C C 176.57 0.09 1 11 3 3 ILE CA C 60.72 0.12 1 12 3 3 ILE CB C 36.60 0.23 1 13 3 3 ILE N N 125.36 0.23 1 14 4 4 ILE H H 9.383 0.01 1 15 4 4 ILE C C 176.74 0.09 1 16 4 4 ILE CA C 59.67 0.12 1 17 4 4 ILE CB C 38.79 0.23 1 18 4 4 ILE N N 127.67 0.23 1 19 5 5 GLU H H 9.429 0.01 1 20 5 5 GLU C C 176.91 0.09 1 21 5 5 GLU CA C 55.43 0.12 1 22 5 5 GLU CB C 31.04 0.23 1 23 5 5 GLU N N 123.69 0.23 1 24 6 6 THR H H 7.176 0.01 1 25 6 6 THR C C 175.92 0.09 1 26 6 6 THR CA C 58.15 0.12 1 27 6 6 THR CB C 70.33 0.23 1 28 6 6 THR N N 106.56 0.23 1 29 7 7 LEU H H 9.667 0.01 1 30 7 7 LEU CA C 59.04 0.12 1 31 7 7 LEU N N 121.92 0.23 1 32 8 8 PRO C C 178.96 0.09 1 33 8 8 PRO CA C 65.58 0.12 1 34 8 8 PRO CB C 29.40 0.27 1 35 9 9 LEU H H 6.762 0.01 1 36 9 9 LEU C C 178.57 0.09 1 37 9 9 LEU CA C 56.56 0.12 1 38 9 9 LEU CB C 39.50 0.23 1 39 9 9 LEU N N 115.57 0.23 1 40 10 10 LEU H H 7.692 0.01 1 41 10 10 LEU C C 178.00 0.09 1 42 10 10 LEU CA C 57.79 0.12 1 43 10 10 LEU CB C 39.17 0.23 1 44 10 10 LEU N N 121.40 0.23 1 45 11 11 ARG H H 8.396 0.01 1 46 11 11 ARG C C 178.33 0.09 1 47 11 11 ARG CA C 58.34 0.12 1 48 11 11 ARG CB C 27.58 0.23 1 49 11 11 ARG N N 116.60 0.23 1 50 12 12 GLN H H 7.651 0.01 1 51 12 12 GLN C C 178.44 0.09 1 52 12 12 GLN CA C 58.42 0.12 1 53 12 12 GLN CB C 27.42 0.23 1 54 12 12 GLN N N 116.10 0.23 1 55 13 13 GLN H H 7.686 0.01 1 56 13 13 GLN C C 177.85 0.09 1 57 13 13 GLN CA C 57.22 0.12 1 58 13 13 GLN CB C 25.91 0.23 1 59 13 13 GLN N N 117.51 0.23 1 60 14 14 ILE H H 8.520 0.01 1 61 14 14 ILE C C 178.16 0.09 1 62 14 14 ILE CA C 61.48 0.12 1 63 14 14 ILE CB C 33.73 0.23 1 64 14 14 ILE N N 119.33 0.23 1 65 15 15 ARG H H 8.206 0.01 1 66 15 15 ARG C C 178.50 0.09 1 67 15 15 ARG CA C 59.25 0.12 1 68 15 15 ARG CB C 28.25 0.23 1 69 15 15 ARG N N 118.35 0.23 1 70 16 16 ARG H H 7.284 0.01 1 71 16 16 ARG C C 178.14 0.09 1 72 16 16 ARG CA C 58.88 0.12 1 73 16 16 ARG CB C 27.85 0.23 1 74 16 16 ARG N N 118.57 0.23 1 75 17 17 LEU H H 8.051 0.01 1 76 17 17 LEU C C 178.55 0.09 1 77 17 17 LEU CA C 57.36 0.12 1 78 17 17 LEU CB C 39.95 0.23 1 79 17 17 LEU N N 119.17 0.23 1 80 18 18 ARG H H 8.295 0.01 1 81 18 18 ARG C C 179.29 0.09 1 82 18 18 ARG CA C 58.29 0.12 1 83 18 18 ARG CB C 27.98 0.23 1 84 18 18 ARG N N 118.23 0.23 1 85 19 19 MET H H 7.945 0.01 1 86 19 19 MET CA C 57.60 0.12 1 87 19 19 MET CB C 30.47 0.23 1 88 19 19 MET N N 120.45 0.23 1 89 20 20 GLU H H 7.837 0.01 1 90 20 20 GLU C C 177.47 0.09 1 91 20 20 GLU CA C 56.21 0.12 1 92 20 20 GLU CB C 28.69 0.23 1 93 20 20 GLU N N 116.68 0.23 1 94 21 21 GLY H H 7.908 0.01 1 95 21 21 GLY C C 176.43 0.09 1 96 21 21 GLY CA C 45.48 0.12 1 97 21 21 GLY N N 107.82 0.23 1 98 22 22 LYS H H 7.513 0.01 1 99 22 22 LYS C C 176.74 0.09 1 100 22 22 LYS CA C 54.56 0.12 1 101 22 22 LYS CB C 31.53 0.23 1 102 22 22 LYS N N 118.33 0.23 1 103 23 23 ARG H H 9.616 0.01 1 104 23 23 ARG C C 177.38 0.09 1 105 23 23 ARG CA C 55.09 0.12 1 106 23 23 ARG CB C 29.62 0.23 1 107 23 23 ARG N N 123.43 0.23 1 108 24 24 VAL H H 9.514 0.01 1 109 24 24 VAL C C 176.57 0.09 1 110 24 24 VAL CA C 60.93 0.12 1 111 24 24 VAL CB C 33.68 0.23 1 112 24 24 VAL N N 126.93 0.23 1 113 25 25 ALA H H 9.011 0.01 1 114 25 25 ALA C C 176.37 0.09 1 115 25 25 ALA CA C 48.45 0.12 1 116 25 25 ALA CB C 21.68 0.23 1 117 25 25 ALA N N 128.38 0.23 1 118 26 26 LEU H H 8.584 0.01 1 119 26 26 LEU C C 176.40 0.09 1 120 26 26 LEU CA C 51.97 0.12 1 121 26 26 LEU CB C 44.78 0.23 1 122 26 26 LEU N N 120.67 0.23 1 123 27 27 VAL H H 8.819 0.01 1 124 27 27 VAL CA C 58.54 0.12 1 125 27 27 VAL CB C 32.08 0.23 1 126 27 27 VAL N N 126.08 0.23 1 127 28 28 PRO C C 177.71 0.09 1 128 28 28 PRO CA C 61.00 0.12 1 129 28 28 PRO CB C 29.78 0.27 1 130 29 29 THR H H 8.132 0.01 1 131 29 29 THR CA C 60.23 0.12 1 132 29 29 THR CB C 71.72 0.23 1 133 29 29 THR N N 115.62 0.23 1 134 30 30 MET C C 176.57 0.09 1 135 30 30 MET CA C 54.32 0.12 1 136 30 30 MET CB C 31.87 0.27 1 137 31 31 GLY H H 7.732 0.01 1 138 31 31 GLY C C 175.01 0.09 1 139 31 31 GLY CA C 45.23 0.12 1 140 31 31 GLY N N 102.84 0.23 1 141 32 32 ASN H H 9.981 0.01 1 142 32 32 ASN C C 176.82 0.09 1 143 32 32 ASN CA C 52.81 0.12 1 144 32 32 ASN CB C 35.50 0.23 1 145 32 32 ASN N N 123.91 0.23 1 146 33 33 LEU H H 8.121 0.01 1 147 33 33 LEU C C 177.88 0.09 1 148 33 33 LEU CA C 53.39 0.12 1 149 33 33 LEU CB C 40.54 0.23 1 150 33 33 LEU N N 116.17 0.23 1 151 34 34 HIS H H 10.525 0.01 1 152 34 34 HIS CA C 53.58 0.12 1 153 34 34 HIS CB C 31.47 0.23 1 154 34 34 HIS N N 123.78 0.23 1 155 36 36 GLY C C 177.62 0.09 1 156 36 36 GLY CA C 46.54 0.12 1 157 37 37 HIS H H 7.462 0.01 1 158 37 37 HIS C C 178.06 0.09 1 159 37 37 HIS CA C 60.51 0.12 1 160 37 37 HIS CB C 30.06 0.23 1 161 37 37 HIS N N 120.05 0.23 1 162 38 38 MET H H 7.808 0.01 1 163 38 38 MET C C 178.00 0.09 1 164 38 38 MET CA C 55.84 0.12 1 165 38 38 MET CB C 29.46 0.23 1 166 38 38 MET N N 116.38 0.23 1 167 39 39 LYS H H 7.463 0.01 1 168 39 39 LYS C C 178.68 0.09 1 169 39 39 LYS CA C 58.59 0.12 1 170 39 39 LYS CB C 30.24 0.23 1 171 39 39 LYS N N 118.29 0.23 1 172 40 40 LEU H H 7.245 0.01 1 173 40 40 LEU C C 178.21 0.09 1 174 40 40 LEU CA C 57.59 0.12 1 175 40 40 LEU CB C 40.29 0.23 1 176 40 40 LEU N N 116.96 0.23 1 177 41 41 VAL H H 7.409 0.01 1 178 41 41 VAL C C 177.44 0.09 1 179 41 41 VAL CA C 66.05 0.12 1 180 41 41 VAL CB C 29.48 0.23 1 181 41 41 VAL N N 117.71 0.23 1 182 42 42 ASP H H 8.234 0.01 1 183 42 42 ASP C C 178.66 0.09 1 184 42 42 ASP CA C 56.99 0.12 1 185 42 42 ASP CB C 38.22 0.23 1 186 42 42 ASP N N 120.14 0.23 1 187 43 43 GLU H H 7.794 0.01 1 188 43 43 GLU C C 178.01 0.09 1 189 43 43 GLU CA C 58.03 0.12 1 190 43 43 GLU CB C 27.30 0.23 1 191 43 43 GLU N N 120.74 0.23 1 192 44 44 ALA H H 8.000 0.01 1 193 44 44 ALA C C 178.37 0.09 1 194 44 44 ALA CA C 54.93 0.12 1 195 44 44 ALA CB C 17.34 0.23 1 196 44 44 ALA N N 121.59 0.23 1 197 45 45 LYS H H 8.371 0.01 1 198 45 45 LYS C C 177.87 0.09 1 199 45 45 LYS CA C 56.92 0.12 1 200 45 45 LYS CB C 30.28 0.23 1 201 45 45 LYS N N 115.51 0.12 1 202 46 46 ALA H H 7.305 0.01 1 203 46 46 ALA C C 178.48 0.09 1 204 46 46 ALA CA C 52.70 0.12 1 205 46 46 ALA CB C 17.05 0.23 1 206 46 46 ALA N N 117.81 0.23 1 207 47 47 ARG H H 7.302 0.01 1 208 47 47 ARG C C 176.27 0.09 1 209 47 47 ARG CA C 55.18 0.12 1 210 47 47 ARG CB C 31.36 0.23 1 211 47 47 ARG N N 114.80 0.23 1 212 48 48 ALA H H 7.631 0.01 1 213 48 48 ALA C C 176.13 0.09 1 214 48 48 ALA CA C 50.28 0.12 1 215 48 48 ALA CB C 21.00 0.23 1 216 48 48 ALA N N 121.19 0.23 1 217 49 49 ASP H H 7.528 0.01 1 218 49 49 ASP C C 176.96 0.09 1 219 49 49 ASP CA C 56.13 0.12 1 220 49 49 ASP CB C 42.15 0.23 1 221 49 49 ASP N N 115.59 0.23 1 222 50 50 VAL H H 8.058 0.01 1 223 50 50 VAL C C 175.73 0.09 1 224 50 50 VAL CA C 59.48 0.12 1 225 50 50 VAL CB C 34.03 0.23 1 226 50 50 VAL N N 117.93 0.23 1 227 51 51 VAL H H 9.848 0.01 1 228 51 51 VAL C C 175.54 0.09 1 229 51 51 VAL CA C 60.88 0.12 1 230 51 51 VAL CB C 32.67 0.23 1 231 51 51 VAL N N 125.97 0.23 1 232 52 52 ALA H H 9.147 0.01 1 233 52 52 ALA C C 176.68 0.09 1 234 52 52 ALA CA C 47.99 0.12 1 235 52 52 ALA CB C 18.79 0.23 1 236 52 52 ALA N N 129.22 0.23 1 237 53 53 VAL H H 8.730 0.01 1 238 53 53 VAL C C 176.83 0.09 1 239 53 53 VAL CA C 59.48 0.12 1 240 53 53 VAL CB C 33.08 0.23 1 241 53 53 VAL N N 122.63 0.23 1 242 54 54 SER H H 8.335 0.01 1 243 54 54 SER C C 176.23 0.09 1 244 54 54 SER CA C 55.71 0.12 1 245 54 54 SER CB C 64.56 0.23 1 246 54 54 SER N N 120.09 0.23 1 247 55 55 ILE H H 8.985 0.01 1 248 55 55 ILE C C 176.13 0.09 1 249 55 55 ILE CA C 60.94 0.12 1 250 55 55 ILE CB C 38.79 0.23 1 251 55 55 ILE N N 125.07 0.23 1 252 56 56 PHE H H 7.967 0.01 1 253 56 56 PHE C C 175.40 0.09 1 254 56 56 PHE CA C 57.23 0.12 1 255 56 56 PHE CB C 37.76 0.23 1 256 56 56 PHE N N 124.66 0.23 1 257 57 57 VAL H H 8.522 0.01 1 258 57 57 VAL C C 175.79 0.09 1 259 57 57 VAL CA C 61.64 0.12 1 260 57 57 VAL CB C 28.04 0.23 1 261 57 57 VAL N N 131.76 0.23 1 262 58 58 ASN H H 6.617 0.01 1 263 58 58 ASN CA C 49.72 0.12 1 264 58 58 ASN CB C 38.28 0.23 1 265 58 58 ASN N N 124.24 0.23 1 266 59 59 PRO C C 177.62 0.09 1 267 59 59 PRO CA C 64.30 0.12 1 268 59 59 PRO CB C 30.90 0.27 1 269 60 60 MET H H 6.487 0.01 1 270 60 60 MET C C 176.78 0.09 1 271 60 60 MET CA C 56.92 0.12 1 272 60 60 MET CB C 33.20 0.23 1 273 60 60 MET N N 110.47 0.23 1 274 61 61 GLN H H 7.370 0.01 1 275 61 61 GLN C C 175.52 0.09 1 276 61 61 GLN CA C 54.29 0.12 1 277 61 61 GLN CB C 29.22 0.23 1 278 61 61 GLN N N 111.96 0.23 1 279 62 62 PHE H H 7.218 0.01 1 280 62 62 PHE C C 176.31 0.09 1 281 62 62 PHE CA C 56.77 0.12 1 282 62 62 PHE CB C 39.31 0.23 1 283 62 62 PHE N N 118.77 0.23 1 284 63 63 ASP H H 8.797 0.01 1 285 63 63 ASP C C 176.99 0.09 1 286 63 63 ASP CA C 54.96 0.12 1 287 63 63 ASP CB C 39.98 0.23 1 288 63 63 ASP N N 121.75 0.23 1 289 64 64 ARG H H 7.955 0.01 1 290 64 64 ARG CA C 52.21 0.12 1 291 64 64 ARG CB C 29.17 0.23 1 292 64 64 ARG N N 117.12 0.23 1 293 65 65 PRO C C 178.69 0.09 1 294 65 65 PRO CA C 64.34 0.12 1 295 65 65 PRO CB C 30.08 0.27 1 296 66 66 GLU H H 9.785 0.01 1 297 66 66 GLU C C 178.07 0.09 1 298 66 66 GLU CA C 58.84 0.12 1 299 66 66 GLU CB C 26.85 0.23 1 300 66 66 GLU N N 118.62 0.23 1 301 67 67 ASP H H 7.356 0.01 1 302 67 67 ASP C C 178.02 0.09 1 303 67 67 ASP CA C 56.10 0.12 1 304 67 67 ASP CB C 39.32 0.23 1 305 67 67 ASP N N 118.98 0.23 1 306 68 68 LEU H H 6.847 0.01 1 307 68 68 LEU C C 178.24 0.09 1 308 68 68 LEU CA C 56.51 0.12 1 309 68 68 LEU CB C 39.38 0.23 1 310 68 68 LEU N N 121.13 0.23 1 311 69 69 ALA H H 7.701 0.01 1 312 69 69 ALA C C 178.23 0.09 1 313 69 69 ALA CA C 53.63 0.12 1 314 69 69 ALA CB C 16.70 0.23 1 315 69 69 ALA N N 119.75 0.23 1 316 70 70 ARG H H 7.152 0.01 1 317 70 70 ARG C C 176.81 0.09 1 318 70 70 ARG CA C 55.30 0.12 1 319 70 70 ARG CB C 29.13 0.23 1 320 70 70 ARG N N 113.46 0.23 1 321 71 71 TYR H H 7.175 0.01 1 322 71 71 TYR CA C 57.22 0.12 1 323 71 71 TYR CB C 37.25 0.23 1 324 71 71 TYR N N 125.05 0.23 1 325 72 72 PRO C C 176.65 0.09 1 326 72 72 PRO CA C 63.26 0.12 1 327 72 72 PRO CB C 30.66 0.27 1 328 73 73 ARG H H 8.320 0.01 1 329 73 73 ARG C C 176.91 0.09 1 330 73 73 ARG CA C 54.99 0.12 1 331 73 73 ARG CB C 28.94 0.23 1 332 73 73 ARG N N 122.54 0.23 1 333 74 74 THR H H 8.809 0.01 1 334 74 74 THR C C 176.68 0.09 1 335 74 74 THR CA C 58.14 0.12 1 336 74 74 THR CB C 67.94 0.23 1 337 74 74 THR N N 118.71 0.23 1 338 75 75 LEU H H 8.044 0.01 1 339 75 75 LEU C C 178.32 0.09 1 340 75 75 LEU CA C 58.48 0.12 1 341 75 75 LEU CB C 39.94 0.23 1 342 75 75 LEU N N 124.33 0.23 1 343 76 76 GLN H H 8.638 0.01 1 344 76 76 GLN C C 178.42 0.09 1 345 76 76 GLN CA C 59.33 0.12 1 346 76 76 GLN CB C 26.06 0.23 1 347 76 76 GLN N N 117.88 0.23 1 348 77 77 GLU H H 8.738 0.01 1 349 77 77 GLU C C 178.66 0.09 1 350 77 77 GLU CA C 59.40 0.12 1 351 77 77 GLU CB C 27.45 0.23 1 352 77 77 GLU N N 121.32 0.23 1 353 78 78 ASP H H 8.804 0.01 1 354 78 78 ASP C C 178.32 0.09 1 355 78 78 ASP CA C 57.56 0.12 1 356 78 78 ASP CB C 39.53 0.23 1 357 78 78 ASP N N 120.70 0.23 1 358 79 79 CYS H H 8.556 0.01 1 359 79 79 CYS C C 177.19 0.09 1 360 79 79 CYS CA C 64.61 0.12 1 361 79 79 CYS CB C 25.29 0.23 1 362 79 79 CYS N N 115.58 0.23 1 363 80 80 GLU H H 8.071 0.01 1 364 80 80 GLU C C 178.65 0.09 1 365 80 80 GLU CA C 59.02 0.12 1 366 80 80 GLU CB C 27.42 0.23 1 367 80 80 GLU N N 121.68 0.23 1 368 81 81 LYS H H 7.651 0.01 1 369 81 81 LYS C C 178.92 0.09 1 370 81 81 LYS CA C 59.43 0.12 1 371 81 81 LYS CB C 31.07 0.23 1 372 81 81 LYS N N 118.32 0.23 1 373 82 82 LEU H H 7.851 0.01 1 374 82 82 LEU C C 178.24 0.09 1 375 82 82 LEU CA C 56.63 0.12 1 376 82 82 LEU CB C 38.83 0.23 1 377 82 82 LEU N N 117.79 0.23 1 378 83 83 ASN H H 8.718 0.01 1 379 83 83 ASN C C 178.96 0.09 1 380 83 83 ASN CA C 56.14 0.12 1 381 83 83 ASN CB C 37.54 0.23 1 382 83 83 ASN N N 120.07 0.23 1 383 84 84 LYS H H 7.650 0.01 1 384 84 84 LYS C C 177.65 0.09 1 385 84 84 LYS CA C 58.22 0.12 1 386 84 84 LYS CB C 30.56 0.23 1 387 84 84 LYS N N 119.29 0.23 1 388 85 85 ARG H H 7.140 0.01 1 389 85 85 ARG C C 176.50 0.09 1 390 85 85 ARG CA C 53.73 0.12 1 391 85 85 ARG CB C 30.24 0.23 1 392 85 85 ARG N N 117.96 0.23 1 393 86 86 LYS H H 7.880 0.01 1 394 86 86 LYS C C 177.23 0.09 1 395 86 86 LYS CA C 56.00 0.12 1 396 86 86 LYS CB C 26.63 0.23 1 397 86 86 LYS N N 113.23 0.23 1 398 87 87 VAL H H 7.270 0.01 1 399 87 87 VAL C C 176.60 0.09 1 400 87 87 VAL CA C 63.89 0.12 1 401 87 87 VAL CB C 30.45 0.23 1 402 87 87 VAL N N 119.00 0.23 1 403 88 88 ASP H H 7.574 0.01 1 404 88 88 ASP C C 177.42 0.09 1 405 88 88 ASP CA C 57.13 0.12 1 406 88 88 ASP CB C 42.26 0.23 1 407 88 88 ASP N N 123.21 0.23 1 408 89 89 LEU H H 7.918 0.01 1 409 89 89 LEU C C 175.62 0.09 1 410 89 89 LEU CA C 53.95 0.12 1 411 89 89 LEU CB C 44.12 0.23 1 412 89 89 LEU N N 119.77 0.23 1 413 90 90 VAL H H 9.084 0.01 1 414 90 90 VAL C C 175.86 0.09 1 415 90 90 VAL CA C 59.63 0.12 1 416 90 90 VAL CB C 32.83 0.23 1 417 90 90 VAL N N 124.14 0.23 1 418 91 91 PHE H H 8.911 0.01 1 419 91 91 PHE C C 175.11 0.09 1 420 91 91 PHE CA C 52.64 0.12 1 421 91 91 PHE CB C 38.85 0.23 1 422 91 91 PHE N N 127.40 0.23 1 423 92 92 ALA H H 8.399 0.01 1 424 92 92 ALA CA C 48.11 0.12 1 425 92 92 ALA CB C 17.46 0.23 1 426 92 92 ALA N N 130.72 0.23 1 427 93 93 PRO C C 177.22 0.09 1 428 93 93 PRO CA C 61.05 0.12 1 429 93 93 PRO CB C 30.62 0.27 1 430 94 94 SER H H 8.060 0.01 1 431 94 94 SER C C 176.75 0.09 1 432 94 94 SER CA C 56.25 0.12 1 433 94 94 SER CB C 63.56 0.23 1 434 94 94 SER N N 114.27 0.23 1 435 95 95 VAL H H 8.780 0.01 1 436 95 95 VAL C C 177.53 0.09 1 437 95 95 VAL CA C 66.74 0.12 1 438 95 95 VAL CB C 29.89 0.23 1 439 95 95 VAL N N 120.77 0.23 1 440 96 96 LYS H H 8.003 0.01 1 441 96 96 LYS CA C 57.58 0.12 1 442 96 96 LYS CB C 30.30 0.23 1 443 96 96 LYS N N 118.33 0.23 1 444 97 97 GLU H H 7.384 0.01 1 445 97 97 GLU C C 176.91 0.09 1 446 97 97 GLU CA C 55.72 0.12 1 447 97 97 GLU CB C 28.73 0.23 1 448 97 97 GLU N N 117.23 0.12 1 449 98 98 ILE H H 8.268 0.01 1 450 98 98 ILE C C 176.57 0.09 1 451 98 98 ILE CA C 60.26 0.12 1 452 98 98 ILE CB C 36.78 0.23 1 453 98 98 ILE N N 123.46 0.23 1 454 99 99 TYR H H 8.332 0.01 1 455 99 99 TYR CA C 54.91 0.12 1 456 99 99 TYR CB C 36.80 0.23 1 457 99 99 TYR N N 125.82 0.23 1 458 101 101 ASN C C 176.87 0.09 1 459 101 101 ASN CA C 51.28 0.12 1 460 101 101 ASN CB C 38.56 0.27 1 461 102 102 GLY H H 7.597 0.01 1 462 102 102 GLY CA C 43.71 0.12 1 463 102 102 GLY N N 107.54 0.23 1 464 104 104 GLU C C 176.67 0.09 1 465 104 104 GLU CA C 55.97 0.12 1 466 104 104 GLU CB C 28.69 0.27 1 467 105 105 THR H H 7.873 0.01 1 468 105 105 THR CA C 62.61 0.12 1 469 105 105 THR CB C 69.39 0.23 1 470 105 105 THR N N 120.75 0.23 1 471 106 106 HIS C C 175.85 0.09 1 472 106 106 HIS CA C 57.56 0.12 1 473 106 106 HIS CB C 29.05 0.27 1 474 107 107 THR H H 7.786 0.01 1 475 107 107 THR CA C 62.58 0.12 1 476 107 107 THR CB C 69.39 0.23 1 477 107 107 THR N N 120.70 0.23 1 478 108 108 TYR C C 176.95 0.09 1 479 108 108 TYR CA C 60.23 0.12 1 480 108 108 TYR CB C 36.75 0.27 1 481 109 109 VAL H H 8.202 0.01 1 482 109 109 VAL C C 176.57 0.09 1 483 109 109 VAL CA C 61.66 0.12 1 484 109 109 VAL CB C 31.03 0.23 1 485 109 109 VAL N N 125.04 0.23 1 486 110 110 ASP H H 8.484 0.01 1 487 110 110 ASP C C 175.72 0.09 1 488 110 110 ASP CA C 51.45 0.12 1 489 110 110 ASP CB C 43.53 0.23 1 490 110 110 ASP N N 126.78 0.23 1 491 111 111 VAL H H 8.570 0.01 1 492 111 111 VAL CA C 58.35 0.12 1 493 111 111 VAL CB C 30.63 0.23 1 494 111 111 VAL N N 123.01 0.23 1 495 112 112 PRO C C 177.20 0.09 1 496 112 112 PRO CA C 62.16 0.12 1 497 112 112 PRO CB C 30.91 0.27 1 498 113 113 GLY H H 8.347 0.01 1 499 113 113 GLY C C 176.32 0.09 1 500 113 113 GLY CA C 45.24 0.12 1 501 113 113 GLY N N 105.27 0.23 1 502 114 114 LEU H H 8.092 0.01 1 503 114 114 LEU CA C 54.24 0.12 1 504 114 114 LEU CB C 40.73 0.23 1 505 114 114 LEU N N 120.85 0.23 1 506 115 115 SER H H 8.239 0.01 1 507 115 115 SER C C 176.53 0.09 1 508 115 115 SER CA C 58.38 0.12 1 509 115 115 SER CB C 62.21 0.23 1 510 115 115 SER N N 114.58 0.23 1 511 116 116 THR H H 7.989 0.01 1 512 116 116 THR C C 176.30 0.09 1 513 116 116 THR CA C 61.48 0.12 1 514 116 116 THR CB C 67.85 0.23 1 515 116 116 THR N N 114.05 0.23 1 516 117 117 MET H H 8.011 0.01 1 517 117 117 MET C C 176.99 0.09 1 518 117 117 MET CA C 55.24 0.12 1 519 117 117 MET CB C 31.30 0.23 1 520 117 117 MET N N 121.06 0.23 1 521 118 118 LEU H H 8.218 0.01 1 522 118 118 LEU C C 177.47 0.09 1 523 118 118 LEU CA C 54.68 0.12 1 524 118 118 LEU CB C 40.84 0.23 1 525 118 118 LEU N N 122.11 0.23 1 526 119 119 GLU H H 8.483 0.01 1 527 119 119 GLU C C 177.46 0.09 1 528 119 119 GLU CA C 56.49 0.12 1 529 119 119 GLU CB C 27.97 0.23 1 530 119 119 GLU N N 121.39 0.23 1 531 120 120 GLY H H 8.395 0.01 1 532 120 120 GLY C C 175.95 0.09 1 533 120 120 GLY CA C 44.96 0.12 1 534 120 120 GLY N N 108.74 0.23 1 535 121 121 ALA H H 7.975 0.01 1 536 121 121 ALA C C 177.64 0.09 1 537 121 121 ALA CA C 51.62 0.12 1 538 121 121 ALA CB C 18.07 0.23 1 539 121 121 ALA N N 123.01 0.23 1 540 122 122 SER H H 8.230 0.01 1 541 122 122 SER C C 176.07 0.09 1 542 122 122 SER CA C 57.91 0.12 1 543 122 122 SER CB C 62.21 0.23 1 544 122 122 SER N N 114.38 0.23 1 545 123 123 ARG H H 8.227 0.01 1 546 123 123 ARG CA C 53.28 0.12 1 547 123 123 ARG CB C 28.66 0.23 1 548 123 123 ARG N N 123.31 0.23 1 549 124 124 PRO C C 177.14 0.09 1 550 124 124 PRO CA C 61.63 0.12 1 551 124 124 PRO CB C 31.02 0.27 1 552 125 125 GLY H H 8.393 0.01 1 553 125 125 GLY C C 175.64 0.09 1 554 125 125 GLY CA C 44.52 0.12 1 555 125 125 GLY N N 112.80 0.23 1 556 126 126 HIS H H 7.907 0.01 1 557 126 126 HIS CA C 59.01 0.12 1 558 126 126 HIS CB C 31.02 0.23 1 559 126 126 HIS N N 120.93 0.23 1 560 127 127 PHE C C 177.40 0.09 1 561 127 127 PHE CA C 59.67 0.12 1 562 127 127 PHE CB C 36.57 0.27 1 563 128 128 ARG H H 8.073 0.01 1 564 128 128 ARG C C 178.69 0.09 1 565 128 128 ARG CA C 58.40 0.12 1 566 128 128 ARG CB C 29.33 0.23 1 567 128 128 ARG N N 120.85 0.23 1 568 129 129 GLY H H 8.414 0.01 1 569 129 129 GLY C C 176.55 0.09 1 570 129 129 GLY CA C 47.22 0.12 1 571 129 129 GLY N N 107.87 0.23 1 572 130 130 VAL H H 7.676 0.01 1 573 130 130 VAL C C 177.39 0.09 1 574 130 130 VAL CA C 65.25 0.12 1 575 130 130 VAL CB C 29.99 0.23 1 576 130 130 VAL N N 122.75 0.23 1 577 131 131 SER H H 8.582 0.01 1 578 131 131 SER CA C 60.72 0.12 1 579 131 131 SER CB C 61.01 0.23 1 580 131 131 SER N N 112.53 0.23 1 581 132 132 THR C C 175.76 0.09 1 582 132 132 THR CA C 61.50 0.12 1 583 132 132 THR CB C 68.51 0.27 1 584 133 133 ILE H H 8.033 0.01 1 585 133 133 ILE CA C 56.44 0.12 1 586 133 133 ILE N N 127.68 0.23 1 587 134 134 VAL C C 176.92 0.09 1 588 134 134 VAL CA C 62.88 0.12 1 589 134 134 VAL CB C 30.26 0.27 1 590 135 135 SER H H 7.984 0.01 1 591 135 135 SER C C 177.72 0.09 1 592 135 135 SER CA C 59.38 0.12 1 593 135 135 SER CB C 63.40 0.23 1 594 135 135 SER N N 121.82 0.23 1 595 136 136 LYS H H 8.415 0.01 1 596 136 136 LYS CA C 58.27 0.12 1 597 136 136 LYS CB C 26.66 0.23 1 598 136 136 LYS N N 121.83 0.23 1 599 137 137 LEU C C 176.47 0.09 1 600 137 137 LEU CA C 56.44 0.12 1 601 137 137 LEU CB C 37.95 0.27 1 602 138 138 PHE H H 7.963 0.01 1 603 138 138 PHE C C 177.58 0.09 1 604 138 138 PHE CA C 55.28 0.12 1 605 138 138 PHE CB C 40.88 0.23 1 606 138 138 PHE N N 125.91 0.23 1 607 139 139 ASN H H 8.314 0.01 1 608 139 139 ASN C C 177.35 0.09 1 609 139 139 ASN CA C 56.50 0.12 1 610 139 139 ASN N N 120.99 0.23 1 611 140 140 LEU H H 8.143 0.01 1 612 140 140 LEU C C 177.62 0.09 1 613 140 140 LEU CA C 56.28 0.12 1 614 140 140 LEU CB C 41.51 0.27 1 615 140 140 LEU N N 118.19 0.12 1 616 141 141 VAL H H 8.407 0.01 1 617 141 141 VAL C C 175.00 0.09 1 618 141 141 VAL CA C 62.35 0.12 1 619 141 141 VAL CB C 30.82 0.23 1 620 141 141 VAL N N 115.34 0.23 1 621 142 142 GLN H H 7.580 0.01 1 622 142 142 GLN CA C 55.24 0.12 1 623 142 142 GLN CB C 26.35 0.23 1 624 142 142 GLN N N 110.58 0.23 1 625 143 143 PRO C C 176.37 0.09 1 626 143 143 PRO CA C 61.88 0.12 1 627 143 143 PRO CB C 30.30 0.27 1 628 144 144 ASP H H 9.001 0.01 1 629 144 144 ASP C C 177.41 0.09 1 630 144 144 ASP CA C 55.93 0.12 1 631 144 144 ASP CB C 41.92 0.23 1 632 144 144 ASP N N 116.47 0.23 1 633 145 145 ILE H H 7.750 0.01 1 634 145 145 ILE C C 175.70 0.09 1 635 145 145 ILE CA C 57.81 0.12 1 636 145 145 ILE CB C 40.77 0.23 1 637 145 145 ILE N N 116.38 0.23 1 638 146 146 ALA H H 9.002 0.01 1 639 146 146 ALA C C 176.60 0.09 1 640 146 146 ALA CA C 50.19 0.12 1 641 146 146 ALA CB C 21.54 0.23 1 642 146 146 ALA N N 126.51 0.23 1 643 147 147 CYS H H 7.519 0.01 1 644 147 147 CYS C C 175.06 0.09 1 645 147 147 CYS CA C 56.16 0.12 1 646 147 147 CYS CB C 29.21 0.23 1 647 147 147 CYS N N 117.57 0.23 1 648 148 148 PHE H H 8.815 0.01 1 649 148 148 PHE C C 176.29 0.09 1 650 148 148 PHE CA C 55.92 0.12 1 651 148 148 PHE CB C 42.86 0.23 1 652 148 148 PHE N N 118.84 0.23 1 653 149 149 GLY H H 9.429 0.01 1 654 149 149 GLY C C 176.31 0.09 1 655 149 149 GLY CA C 45.12 0.12 1 656 149 149 GLY N N 109.62 0.23 1 657 150 150 GLU H H 8.407 0.01 1 658 150 150 GLU C C 177.72 0.09 1 659 150 150 GLU CA C 57.42 0.12 1 660 150 150 GLU CB C 28.92 0.23 1 661 150 150 GLU N N 123.49 0.23 1 662 151 151 LYS H H 8.327 0.01 1 663 151 151 LYS CA C 58.11 0.12 1 664 151 151 LYS CB C 30.12 0.23 1 665 151 151 LYS N N 116.82 0.23 1 666 152 152 ASP H H 7.414 0.01 1 667 152 152 ASP C C 177.28 0.09 1 668 152 152 ASP CA C 52.14 0.12 1 669 152 152 ASP N N 118.42 0.23 1 670 153 153 PHE H H 7.742 0.01 1 671 153 153 PHE C C 176.78 0.09 1 672 153 153 PHE CA C 60.73 0.12 1 673 153 153 PHE CB C 37.13 0.27 1 674 153 153 PHE N N 122.33 0.12 1 675 154 154 GLN H H 8.448 0.01 1 676 154 154 GLN CA C 55.76 0.12 1 677 154 154 GLN CB C 28.89 0.23 1 678 154 154 GLN N N 125.38 0.23 1 679 155 155 GLN H H 7.967 0.01 1 680 155 155 GLN C C 177.07 0.09 1 681 155 155 GLN CA C 59.67 0.12 1 682 155 155 GLN N N 126.21 0.23 1 683 156 156 LEU H H 8.335 0.01 1 684 156 156 LEU C C 172.37 0.09 1 685 156 156 LEU N N 122.72 0.23 1 686 157 157 ALA H H 7.351 0.01 1 687 157 157 ALA CA C 49.40 0.12 1 688 157 157 ALA CB C 18.67 0.23 1 689 157 157 ALA N N 113.67 0.23 1 690 158 158 LEU H H 8.748 0.01 1 691 158 158 LEU C C 177.96 0.09 1 692 158 158 LEU N N 115.86 0.12 1 693 159 159 ILE H H 7.982 0.01 1 694 159 159 ILE C C 177.98 0.09 1 695 159 159 ILE CA C 62.90 0.12 1 696 159 159 ILE CB C 34.61 0.27 1 697 159 159 ILE N N 119.20 0.23 1 698 160 160 ARG H H 8.502 0.01 1 699 160 160 ARG C C 178.62 0.09 1 700 160 160 ARG CA C 60.69 0.12 1 701 160 160 ARG CB C 28.03 0.23 1 702 160 160 ARG N N 118.18 0.23 1 703 161 161 LYS H H 7.704 0.01 1 704 161 161 LYS C C 177.39 0.09 1 705 161 161 LYS CA C 58.97 0.12 1 706 161 161 LYS CB C 30.23 0.23 1 707 161 161 LYS N N 120.72 0.23 1 708 162 162 MET H H 8.490 0.01 1 709 162 162 MET C C 178.29 0.09 1 710 162 162 MET CA C 58.65 0.12 1 711 162 162 MET CB C 32.51 0.23 1 712 162 162 MET N N 119.34 0.23 1 713 163 163 VAL H H 8.672 0.01 1 714 163 163 VAL C C 177.83 0.09 1 715 163 163 VAL CA C 66.65 0.12 1 716 163 163 VAL CB C 30.25 0.23 1 717 163 163 VAL N N 117.57 0.23 1 718 164 164 ALA H H 7.701 0.01 1 719 164 164 ALA C C 179.27 0.09 1 720 164 164 ALA CA C 54.26 0.12 1 721 164 164 ALA CB C 16.83 0.23 1 722 164 164 ALA N N 122.17 0.23 1 723 165 165 ASP H H 7.596 0.01 1 724 165 165 ASP C C 178.73 0.09 1 725 165 165 ASP CA C 57.74 0.12 1 726 165 165 ASP CB C 40.20 0.23 1 727 165 165 ASP N N 119.90 0.23 1 728 166 166 MET H H 8.716 0.01 1 729 166 166 MET C C 178.05 0.09 1 730 166 166 MET CA C 55.90 0.12 1 731 166 166 MET CB C 34.63 0.23 1 732 166 166 MET N N 118.21 0.23 1 733 167 167 GLY H H 7.598 0.01 1 734 167 167 GLY C C 176.28 0.09 1 735 167 167 GLY CA C 45.47 0.12 1 736 167 167 GLY N N 104.86 0.12 1 737 168 168 PHE H H 7.236 0.01 1 738 168 168 PHE C C 177.10 0.09 1 739 168 168 PHE CA C 58.39 0.12 1 740 168 168 PHE CB C 38.93 0.23 1 741 168 168 PHE N N 115.76 0.23 1 742 169 169 ASP H H 9.461 0.01 1 743 169 169 ASP C C 176.21 0.09 1 744 169 169 ASP CA C 51.54 0.12 1 745 169 169 ASP CB C 37.10 0.23 1 746 169 169 ASP N N 127.74 0.23 1 747 170 170 ILE H H 6.786 0.01 1 748 170 170 ILE C C 176.25 0.09 1 749 170 170 ILE CA C 59.28 0.12 1 750 170 170 ILE CB C 41.51 0.23 1 751 170 170 ILE N N 118.85 0.23 1 752 171 171 GLU H H 7.983 0.01 1 753 171 171 GLU C C 176.25 0.09 1 754 171 171 GLU CA C 55.24 0.12 1 755 171 171 GLU CB C 28.76 0.23 1 756 171 171 GLU N N 127.72 0.23 1 757 172 172 ILE H H 8.760 0.01 1 758 172 172 ILE C C 176.72 0.09 1 759 172 172 ILE CA C 57.21 0.12 1 760 172 172 ILE CB C 33.42 0.23 1 761 172 172 ILE N N 127.80 0.23 1 762 173 173 VAL H H 9.105 0.01 1 763 173 173 VAL C C 176.37 0.09 1 764 173 173 VAL CA C 61.08 0.12 1 765 173 173 VAL CB C 32.26 0.23 1 766 173 173 VAL N N 131.79 0.23 1 767 174 174 GLY H H 8.694 0.01 1 768 174 174 GLY C C 175.68 0.09 1 769 174 174 GLY CA C 43.46 0.12 1 770 174 174 GLY N N 114.36 0.23 1 771 175 175 VAL H H 8.820 0.01 1 772 175 175 VAL CA C 58.54 0.12 1 773 175 175 VAL CB C 32.08 0.23 1 774 175 175 VAL N N 126.25 0.23 1 stop_ save_