data_25464 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Solution structure of an MbtH-like protein from Mycobacterium marinum. Seattle Structural Genomics Center for Infectious Disease target MymaA.01649.c ; _BMRB_accession_number 25464 _BMRB_flat_file_name bmr25464.str _Entry_type original _Submission_date 2015-02-02 _Accession_date 2015-02-02 _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 Buchko Garry W. . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 352 "13C chemical shifts" 267 "15N chemical shifts" 65 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2015-03-30 original author . stop_ _Original_release_date 2015-03-30 save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full . _Citation_title 'Structural characterization of a beta-hydroxyacid dehydrogenase from Geobacter sulfurreducens and Geobacter metallireducens with succinic semialdehyde reductase activity' _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 24878278 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Zhang Yanfeng . . 2 Zheng Yi . . 3 Qin Ling . . 4 Wang Shihua . . 5 Buchko Garry W. . 6 Garavito 'R. Michael' . . stop_ _Journal_abbreviation Biochimie _Journal_volume 104 _Journal_issue . _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 61 _Page_last 69 _Year 2014 _Details . save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name 'MbtH-like protein from Mycobacterium marinum' _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label entity $entity 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_entity _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common entity _Molecular_mass 9012.041 _Mol_thiol_state 'all free' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 80 _Mol_residue_sequence ; GPGSMKIMSDNPFDDEDGMF FVLINDEEQHSLWPTFADVP AGWRVVFGEASRASCVEYVD QHWTDIRPKSLREKLASGQG ; loop_ _Residue_seq_code _Residue_author_seq_code _Residue_label 1 1 GLY 2 2 PRO 3 3 GLY 4 4 SER 5 5 MET 6 6 LYS 7 7 ILE 8 8 MET 9 9 SER 10 10 ASP 11 11 ASN 12 12 PRO 13 13 PHE 14 14 ASP 15 15 ASP 16 16 GLU 17 17 ASP 18 18 GLY 19 19 MET 20 20 PHE 21 21 PHE 22 22 VAL 23 23 LEU 24 24 ILE 25 25 ASN 26 26 ASP 27 27 GLU 28 28 GLU 29 29 GLN 30 30 HIS 31 31 SER 32 32 LEU 33 33 TRP 34 34 PRO 35 35 THR 36 36 PHE 37 37 ALA 38 38 ASP 39 39 VAL 40 40 PRO 41 41 ALA 42 42 GLY 43 43 TRP 44 44 ARG 45 45 VAL 46 46 VAL 47 47 PHE 48 48 GLY 49 49 GLU 50 50 ALA 51 51 SER 52 52 ARG 53 53 ALA 54 54 SER 55 55 CYS 56 56 VAL 57 57 GLU 58 58 TYR 59 59 VAL 60 60 ASP 61 61 GLN 62 62 HIS 63 63 TRP 64 64 THR 65 65 ASP 66 66 ILE 67 67 ARG 68 68 PRO 69 69 LYS 70 70 SER 71 71 LEU 72 72 ARG 73 73 GLU 74 74 LYS 75 75 LEU 76 76 ALA 77 77 SER 78 78 GLY 79 79 GLN 80 80 GLY stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date 2015-04-22 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 2MYY "Solution Structure Of An Mbth-like Protein From Mycobacterium Marinum, Seattle Structural Genomics Center For Infectious Diseas" 100.00 80 100.00 100.00 6.96e-52 EMBL CDM77311 "conserved hypothetical MbtH-like protein [Mycobacterium marinum E11]" 95.00 76 100.00 100.00 9.40e-49 GB ACC41692 "conserved hypothetical MbtH-like protein [Mycobacterium marinum M]" 95.00 76 100.00 100.00 9.40e-49 GB EPQ77034 "MbtH protein [Mycobacterium marinum MB2]" 91.25 73 100.00 100.00 2.23e-46 GB EPQ80949 "MbtH protein [Mycobacterium marinum str. Europe]" 91.25 73 100.00 100.00 2.23e-46 REF WP_020725647 "MbtH protein [Mycobacterium marinum]" 91.25 73 100.00 100.00 2.23e-46 stop_ save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species _Strain _Gene_mnemonic $entity 'high GC Gram+ bacteria' 1348799 Bacteria . Mycobacterium marinum BAA-535 B2HHJ4 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 $entity 'recombinant technology' . Escherichia coli BL21(DE3)-R3-pRARE2 AVA0421 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 $entity 1 mM '[U-99% 13C; U-99% 15N]' 'sodium chloride' 100 mM 'natural abundance' TRIS 20 mM 'natural abundance' DTT 1 mM 'natural abundance' D2O 7 % 'natural abundance' H2O 93 % 'natural abundance' stop_ save_ save_sample_2 _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $entity 1 mM '[U-99% 13C; U-99% 15N]' 'sodium chloride' 100 mM 'natural abundance' TRIS 20 mM 'natural abundance' DTT 1 mM 'natural abundance' D2O 100 % 'natural abundance' stop_ save_ ############################ # Computer software used # ############################ save_CNS _Saveframe_category software _Name CNS _Version 1.1 loop_ _Vendor _Address _Electronic_address 'Brunger, Adams, Clore, Gros, Nilges and Read' . . stop_ loop_ _Task refinement stop_ _Details . save_ save_CYANA _Saveframe_category software _Name CYANA _Version 2.1 loop_ _Vendor _Address _Electronic_address 'Guntert, Mumenthaler and Wuthrich' . . stop_ loop_ _Task 'structure solution' stop_ _Details . save_ save_SPARKY _Saveframe_category software _Name SPARKY _Version 3.115 loop_ _Vendor _Address _Electronic_address Goddard . . stop_ loop_ _Task 'data analysis' 'peak picking' stop_ _Details . save_ save_Felix _Saveframe_category software _Name Felix _Version 2007 loop_ _Vendor _Address _Electronic_address 'Accelrys Software Inc.' . . stop_ loop_ _Task processing stop_ _Details . save_ save_TALOS _Saveframe_category software _Name TALOS _Version + loop_ _Vendor _Address _Electronic_address 'Cornilescu, Delaglio and Bax' . . stop_ loop_ _Task 'data analysis' stop_ _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Agilent _Model VNMRS _Field_strength 800 _Details . save_ save_spectrometer_2 _Saveframe_category NMR_spectrometer _Manufacturer Agilent _Model VNMRS _Field_strength 600 _Details . save_ ############################# # NMR applied experiments # ############################# save_3D_1H-13C_NOESY_aliphatic_1 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-13C NOESY aliphatic' _Sample_label $sample_1 save_ save_3D_1H-13C_NOESY_aromatic_2 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-13C NOESY aromatic' _Sample_label $sample_1 save_ save_3D_1H-15N_NOESY_3 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-15N NOESY' _Sample_label $sample_1 save_ save_3D_C(CO)NH_4 _Saveframe_category NMR_applied_experiment _Experiment_name '3D C(CO)NH' _Sample_label $sample_1 save_ save_3D_HNCO_5 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCO' _Sample_label $sample_1 save_ save_3D_HNCACB_6 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCACB' _Sample_label $sample_1 save_ save_2D_1H-15N_HSQC_7 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-15N HSQC' _Sample_label $sample_1 save_ save_D2O_exchange_8 _Saveframe_category NMR_applied_experiment _Experiment_name 'D2O exchange' _Sample_label $sample_2 save_ save_HBCBCGCDHD_9 _Saveframe_category NMR_applied_experiment _Experiment_name HBCBCGCDHD _Sample_label $sample_1 save_ save_2D_1H-13C_HSQC_aliphatic_10 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-13C HSQC aliphatic' _Sample_label $sample_1 save_ save_2D_1H-13C_HSQC_aromatic_11 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-13C HSQC aromatic' _Sample_label $sample_1 save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Saveframe_category sample_conditions _Details . loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units temperature 293 . K pH 7 . pH pressure 1 . atm 'ionic strength' 0.12 . M 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 H 1 'methyl protons' ppm 0.00 internal direct . . . 1.000000000 DSS C 13 'methyl protons' ppm 0.00 na indirect . . . 0.251449530 DSS N 15 'methyl protons' ppm 0.00 na indirect . . . 0.101329118 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_assigned_chem_shift_list_1 _Saveframe_category assigned_chemical_shifts _Details . loop_ _Software_label $SPARKY stop_ loop_ _Experiment_label '3D 1H-13C NOESY aliphatic' '3D 1H-13C NOESY aromatic' '3D C(CO)NH' '3D HNCACB' 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 entity _Text_data_format . _Text_data . loop_ _Atom_shift_assign_ID _Residue_author_seq_code _Residue_seq_code _Residue_label _Atom_name _Atom_type _Chem_shift_value _Chem_shift_value_error _Chem_shift_ambiguity_code 1 2 2 PRO HA H 4.46 0.02 1 2 2 2 PRO HB2 H 2.27 0.02 2 3 2 2 PRO HB3 H 1.95 0.02 2 4 2 2 PRO HG2 H 2.01 0.02 2 5 2 2 PRO HG3 H 1.97 0.02 2 6 2 2 PRO HD2 H 3.60 0.02 2 7 2 2 PRO HD3 H 3.53 0.02 2 8 2 2 PRO CA C 63.4 0.2 1 9 2 2 PRO CB C 32.1 0.2 1 10 2 2 PRO CG C 26.9 0.2 1 11 2 2 PRO CD C 49.5 0.2 1 12 3 3 GLY CA C 45.1 0.2 1 13 10 10 ASP H H 8.42 0.02 1 14 10 10 ASP HA H 4.60 0.02 1 15 10 10 ASP HB2 H 2.68 0.02 2 16 10 10 ASP HB3 H 2.63 0.02 2 17 10 10 ASP C C 175.3 0.2 1 18 10 10 ASP CA C 54.5 0.2 1 19 10 10 ASP CB C 40.9 0.2 1 20 10 10 ASP N N 121.5 0.2 1 21 11 11 ASN H H 8.27 0.02 1 22 11 11 ASN HA H 4.95 0.02 1 23 11 11 ASN HB2 H 2.83 0.02 2 24 11 11 ASN HB3 H 2.64 0.02 2 25 11 11 ASN HD21 H 7.63 0.02 2 26 11 11 ASN HD22 H 6.99 0.02 2 27 11 11 ASN CA C 50.8 0.2 1 28 11 11 ASN CB C 39.1 0.2 1 29 11 11 ASN N N 118.4 0.2 1 30 11 11 ASN ND2 N 112.6 0.2 1 31 12 12 PRO HA H 4.38 0.02 1 32 12 12 PRO HB2 H 2.17 0.02 2 33 12 12 PRO HB3 H 1.62 0.02 2 34 12 12 PRO HG2 H 1.91 0.02 2 35 12 12 PRO HG3 H 1.65 0.02 2 36 12 12 PRO HD2 H 3.74 0.02 2 37 12 12 PRO HD3 H 3.68 0.02 2 38 12 12 PRO C C 177.1 0.2 1 39 12 12 PRO CA C 63.7 0.2 1 40 12 12 PRO CB C 31.9 0.2 1 41 12 12 PRO CG C 26.8 0.2 1 42 12 12 PRO CD C 50.6 0.2 1 43 13 13 PHE H H 8.12 0.02 1 44 13 13 PHE HA H 4.50 0.02 1 45 13 13 PHE HB2 H 3.16 0.02 2 46 13 13 PHE HB3 H 2.99 0.02 2 47 13 13 PHE HD1 H 7.24 0.02 3 48 13 13 PHE HD2 H 7.24 0.02 3 49 13 13 PHE C C 175.7 0.2 1 50 13 13 PHE CA C 58.3 0.2 1 51 13 13 PHE CB C 38.7 0.2 1 52 13 13 PHE CD1 C 131.8 0.2 3 53 13 13 PHE CD2 C 131.8 0.2 3 54 13 13 PHE N N 117.5 0.2 1 55 14 14 ASP H H 8.01 0.02 1 56 14 14 ASP HA H 4.62 0.02 1 57 14 14 ASP HB2 H 2.75 0.02 2 58 14 14 ASP HB3 H 2.60 0.02 2 59 14 14 ASP C C 175.8 0.2 1 60 14 14 ASP CA C 54.4 0.2 1 61 14 14 ASP CB C 41.4 0.2 1 62 14 14 ASP N N 120.0 0.2 1 63 15 15 ASP H H 7.90 0.02 1 64 15 15 ASP HA H 4.61 0.02 1 65 15 15 ASP HB2 H 2.83 0.02 2 66 15 15 ASP HB3 H 2.66 0.02 2 67 15 15 ASP C C 176.7 0.2 1 68 15 15 ASP CA C 54.5 0.2 1 69 15 15 ASP CB C 41.2 0.2 1 70 15 15 ASP N N 119.9 0.2 1 71 16 16 GLU H H 8.61 0.02 1 72 16 16 GLU HA H 4.23 0.02 1 73 16 16 GLU HB2 H 2.16 0.02 2 74 16 16 GLU HB3 H 2.02 0.02 2 75 16 16 GLU HG2 H 2.36 0.02 2 76 16 16 GLU HG3 H 2.29 0.02 2 77 16 16 GLU C C 176.6 0.2 1 78 16 16 GLU CA C 57.4 0.2 1 79 16 16 GLU CB C 30.1 0.2 1 80 16 16 GLU CG C 36.2 0.2 1 81 16 16 GLU N N 122.7 0.2 1 82 17 17 ASP H H 8.49 0.02 1 83 17 17 ASP HA H 4.85 0.02 1 84 17 17 ASP HB2 H 2.82 0.02 2 85 17 17 ASP HB3 H 2.69 0.02 2 86 17 17 ASP C C 176.3 0.2 1 87 17 17 ASP CA C 54.3 0.2 1 88 17 17 ASP CB C 41.6 0.2 1 89 17 17 ASP N N 119.5 0.2 1 90 18 18 GLY H H 8.07 0.02 1 91 18 18 GLY HA2 H 4.00 0.02 2 92 18 18 GLY HA3 H 3.88 0.02 2 93 18 18 GLY C C 172.7 0.2 1 94 18 18 GLY CA C 44.9 0.2 1 95 18 18 GLY N N 107.7 0.2 1 96 19 19 MET H H 7.82 0.02 1 97 19 19 MET HA H 4.89 0.02 1 98 19 19 MET HB2 H 1.83 0.02 2 99 19 19 MET HB3 H 1.45 0.02 2 100 19 19 MET HG2 H 2.55 0.02 2 101 19 19 MET HG3 H 2.34 0.02 2 102 19 19 MET HE H 1.95 0.02 1 103 19 19 MET C C 176.0 0.2 1 104 19 19 MET CA C 53.7 0.2 1 105 19 19 MET CB C 35.1 0.2 1 106 19 19 MET CG C 32.6 0.2 1 107 19 19 MET CE C 17.8 0.2 1 108 19 19 MET N N 117.4 0.2 1 109 20 20 PHE H H 9.37 0.02 1 110 20 20 PHE HA H 5.01 0.02 1 111 20 20 PHE HB2 H 3.14 0.02 2 112 20 20 PHE HB3 H 3.04 0.02 2 113 20 20 PHE HD1 H 6.99 0.02 3 114 20 20 PHE HD2 H 6.99 0.02 3 115 20 20 PHE HE1 H 7.17 0.02 3 116 20 20 PHE HE2 H 7.17 0.02 3 117 20 20 PHE C C 174.2 0.2 1 118 20 20 PHE CA C 57.4 0.2 1 119 20 20 PHE CB C 45.8 0.2 1 120 20 20 PHE CD1 C 131.4 0.2 3 121 20 20 PHE CD2 C 131.4 0.2 3 122 20 20 PHE CE1 C 131.5 0.2 3 123 20 20 PHE CE2 C 131.5 0.2 3 124 20 20 PHE N N 120.1 0.2 1 125 21 21 PHE H H 9.60 0.02 1 126 21 21 PHE HA H 5.63 0.02 1 127 21 21 PHE HB2 H 3.42 0.02 2 128 21 21 PHE HB3 H 2.73 0.02 2 129 21 21 PHE HD1 H 7.09 0.02 3 130 21 21 PHE HD2 H 7.09 0.02 3 131 21 21 PHE HE1 H 7.43 0.02 3 132 21 21 PHE HE2 H 7.43 0.02 3 133 21 21 PHE C C 177.5 0.2 1 134 21 21 PHE CA C 55.5 0.2 1 135 21 21 PHE CB C 44.1 0.2 1 136 21 21 PHE CD1 C 131.6 0.2 3 137 21 21 PHE CD2 C 131.6 0.2 3 138 21 21 PHE CE1 C 131.6 0.2 3 139 21 21 PHE CE2 C 131.6 0.2 3 140 21 21 PHE N N 115.2 0.2 1 141 22 22 VAL H H 8.75 0.02 1 142 22 22 VAL HB H 1.93 0.02 1 143 22 22 VAL HG1 H 1.16 0.02 2 144 22 22 VAL HG2 H 1.09 0.02 2 145 22 22 VAL C C 175.0 0.2 1 146 22 22 VAL CA C 62.7 0.2 1 147 22 22 VAL CB C 32.8 0.2 1 148 22 22 VAL CG1 C 22.6 0.2 2 149 22 22 VAL CG2 C 22.9 0.2 2 150 22 22 VAL N N 116.6 0.2 1 151 23 23 LEU H H 9.53 0.02 1 152 23 23 LEU HA H 5.64 0.02 1 153 23 23 LEU HB2 H 1.82 0.02 2 154 23 23 LEU HB3 H 1.62 0.02 2 155 23 23 LEU HG H 1.65 0.02 1 156 23 23 LEU HD1 H 0.06 0.02 2 157 23 23 LEU HD2 H 0.59 0.02 2 158 23 23 LEU C C 176.2 0.2 1 159 23 23 LEU CA C 51.8 0.2 1 160 23 23 LEU CB C 46.7 0.2 1 161 23 23 LEU CG C 27.3 0.2 1 162 23 23 LEU CD1 C 25.2 0.2 2 163 23 23 LEU CD2 C 24.6 0.2 2 164 23 23 LEU N N 126.5 0.2 1 165 24 24 ILE H H 9.30 0.02 1 166 24 24 ILE HA H 5.69 0.02 1 167 24 24 ILE HB H 1.48 0.02 1 168 24 24 ILE HG12 H 1.31 0.02 2 169 24 24 ILE HG13 H 1.01 0.02 2 170 24 24 ILE HG2 H 0.71 0.02 1 171 24 24 ILE HD1 H 0.73 0.02 1 172 24 24 ILE C C 174.3 0.2 1 173 24 24 ILE CA C 58.9 0.2 1 174 24 24 ILE CB C 43.6 0.2 1 175 24 24 ILE CG1 C 27.4 0.2 1 176 24 24 ILE CG2 C 16.7 0.2 1 177 24 24 ILE CD1 C 14.3 0.2 1 178 24 24 ILE N N 117.7 0.2 1 179 25 25 ASN H H 7.30 0.02 1 180 25 25 ASN HA H 4.70 0.02 1 181 25 25 ASN HB2 H 2.35 0.02 2 182 25 25 ASN HB3 H 0.26 0.02 2 183 25 25 ASN C C 177.7 0.2 1 184 25 25 ASN CA C 49.7 0.2 1 185 25 25 ASN CB C 37.6 0.2 1 186 25 25 ASN N N 122.5 0.2 1 187 26 26 ASP H H 8.34 0.02 1 188 26 26 ASP HA H 4.36 0.02 1 189 26 26 ASP HB2 H 2.67 0.02 2 190 26 26 ASP HB3 H 2.54 0.02 2 191 26 26 ASP C C 176.7 0.2 1 192 26 26 ASP CA C 56.5 0.2 1 193 26 26 ASP CB C 39.9 0.2 1 194 26 26 ASP N N 118.1 0.2 1 195 27 27 GLU H H 7.19 0.02 1 196 27 27 GLU HA H 4.54 0.02 1 197 27 27 GLU HB2 H 2.27 0.02 2 198 27 27 GLU HB3 H 1.71 0.02 2 199 27 27 GLU HG2 H 2.13 0.02 2 200 27 27 GLU HG3 H 2.13 0.02 2 201 27 27 GLU C C 175.1 0.2 1 202 27 27 GLU CA C 55.7 0.2 1 203 27 27 GLU CB C 29.5 0.2 1 204 27 27 GLU CG C 35.9 0.2 1 205 27 27 GLU N N 117.6 0.2 1 206 28 28 GLU H H 8.05 0.02 1 207 28 28 GLU HA H 3.59 0.02 1 208 28 28 GLU HB2 H 2.44 0.02 2 209 28 28 GLU HB3 H 2.34 0.02 2 210 28 28 GLU HG2 H 2.18 0.02 2 211 28 28 GLU HG3 H 2.18 0.02 2 212 28 28 GLU C C 175.2 0.2 1 213 28 28 GLU CA C 57.8 0.2 1 214 28 28 GLU CB C 26.5 0.2 1 215 28 28 GLU CG C 37.2 0.2 1 216 28 28 GLU N N 112.8 0.2 1 217 29 29 GLN H H 7.84 0.02 1 218 29 29 GLN HA H 4.28 0.02 1 219 29 29 GLN HB2 H 2.03 0.02 2 220 29 29 GLN HB3 H 1.88 0.02 2 221 29 29 GLN HG2 H 2.41 0.02 2 222 29 29 GLN HG3 H 2.34 0.02 2 223 29 29 GLN HE21 H 7.73 0.02 2 224 29 29 GLN HE22 H 7.00 0.02 2 225 29 29 GLN C C 174.6 0.2 1 226 29 29 GLN CA C 54.9 0.2 1 227 29 29 GLN CB C 29.3 0.2 1 228 29 29 GLN CG C 34.1 0.2 1 229 29 29 GLN N N 117.2 0.2 1 230 29 29 GLN NE2 N 112.6 0.2 1 231 30 30 HIS HA H 6.06 0.02 1 232 30 30 HIS HB2 H 2.71 0.02 2 233 30 30 HIS HB3 H 2.63 0.02 2 234 30 30 HIS C C 175.9 0.2 1 235 30 30 HIS CA C 54.7 0.2 1 236 30 30 HIS CB C 32.9 0.2 1 237 31 31 SER H H 8.85 0.02 1 238 31 31 SER HA H 4.74 0.02 1 239 31 31 SER HB2 H 3.46 0.02 2 240 31 31 SER HB3 H 3.18 0.02 2 241 31 31 SER C C 173.2 0.2 1 242 31 31 SER CA C 57.4 0.2 1 243 31 31 SER CB C 66.6 0.2 1 244 31 31 SER N N 113.1 0.2 1 245 32 32 LEU HA H 5.36 0.02 1 246 32 32 LEU HB2 H 1.67 0.02 2 247 32 32 LEU HB3 H 1.59 0.02 2 248 32 32 LEU HD1 H 0.61 0.02 2 249 32 32 LEU HD2 H 0.75 0.02 2 250 32 32 LEU C C 178.2 0.2 1 251 32 32 LEU CA C 56.0 0.2 1 252 32 32 LEU CB C 43.7 0.2 1 253 32 32 LEU CD1 C 25.3 0.2 2 254 32 32 LEU CD2 C 24.6 0.2 2 255 33 33 TRP H H 9.17 0.02 1 256 33 33 TRP HA H 5.30 0.02 1 257 33 33 TRP HB2 H 3.09 0.02 2 258 33 33 TRP HB3 H 3.04 0.02 2 259 33 33 TRP HD1 H 7.02 0.02 1 260 33 33 TRP HE1 H 9.05 0.02 1 261 33 33 TRP HE3 H 7.63 0.02 1 262 33 33 TRP HZ2 H 7.43 0.02 1 263 33 33 TRP HH2 H 7.06 0.02 1 264 33 33 TRP CA C 54.1 0.2 1 265 33 33 TRP CB C 35.5 0.2 1 266 33 33 TRP CD1 C 127.4 0.2 1 267 33 33 TRP CZ2 C 115.2 0.2 1 268 33 33 TRP CH2 C 120.5 0.2 1 269 33 33 TRP N N 123.4 0.2 1 270 33 33 TRP NE1 N 129.3 0.2 1 271 34 34 PRO HA H 3.81 0.02 1 272 34 34 PRO HB2 H 1.34 0.02 2 273 34 34 PRO HB3 H 0.71 0.02 2 274 34 34 PRO HG2 H 1.05 0.02 2 275 34 34 PRO HG3 H 0.77 0.02 2 276 34 34 PRO HD2 H 2.93 0.02 2 277 34 34 PRO HD3 H 1.91 0.02 2 278 34 34 PRO C C 177.4 0.2 1 279 34 34 PRO CA C 61.8 0.2 1 280 34 34 PRO CB C 32.0 0.2 1 281 34 34 PRO CG C 26.5 0.2 1 282 34 34 PRO CD C 49.8 0.2 1 283 35 35 THR H H 7.26 0.02 1 284 35 35 THR HA H 3.73 0.02 1 285 35 35 THR HB H 3.92 0.02 1 286 35 35 THR HG2 H 0.05 0.02 1 287 35 35 THR C C 176.1 0.2 1 288 35 35 THR CA C 63.6 0.2 1 289 35 35 THR CB C 68.2 0.2 1 290 35 35 THR CG2 C 21.1 0.2 1 291 35 35 THR N N 107.7 0.2 1 292 36 36 PHE H H 6.77 0.02 1 293 36 36 PHE HA H 4.51 0.02 1 294 36 36 PHE HB2 H 3.34 0.02 2 295 36 36 PHE HB3 H 2.87 0.02 2 296 36 36 PHE HD1 H 7.07 0.02 3 297 36 36 PHE HD2 H 7.07 0.02 3 298 36 36 PHE C C 174.5 0.2 1 299 36 36 PHE CA C 56.9 0.2 1 300 36 36 PHE CB C 37.6 0.2 1 301 36 36 PHE CD1 C 132.4 0.2 3 302 36 36 PHE CD2 C 132.4 0.2 3 303 36 36 PHE N N 114.5 0.2 1 304 37 37 ALA H H 6.95 0.02 1 305 37 37 ALA HA H 4.71 0.02 1 306 37 37 ALA HB H 1.03 0.02 1 307 37 37 ALA C C 177.3 0.2 1 308 37 37 ALA CA C 50.2 0.2 1 309 37 37 ALA CB C 20.4 0.2 1 310 37 37 ALA N N 125.3 0.2 1 311 38 38 ASP H H 8.87 0.02 1 312 38 38 ASP HA H 4.48 0.02 1 313 38 38 ASP HB2 H 2.63 0.02 2 314 38 38 ASP HB3 H 2.55 0.02 2 315 38 38 ASP C C 176.7 0.2 1 316 38 38 ASP CA C 55.0 0.2 1 317 38 38 ASP CB C 40.4 0.2 1 318 38 38 ASP N N 124.5 0.2 1 319 39 39 VAL H H 8.65 0.02 1 320 39 39 VAL HA H 3.36 0.02 1 321 39 39 VAL HB H 1.78 0.02 1 322 39 39 VAL HG1 H 0.82 0.02 2 323 39 39 VAL HG2 H 0.64 0.02 2 324 39 39 VAL CA C 61.1 0.2 1 325 39 39 VAL CB C 32.2 0.2 1 326 39 39 VAL CG1 C 22.3 0.2 2 327 39 39 VAL CG2 C 21.2 0.2 2 328 39 39 VAL N N 126.0 0.2 1 329 40 40 PRO HA H 4.25 0.02 1 330 40 40 PRO HB2 H 1.99 0.02 2 331 40 40 PRO HB3 H 1.61 0.02 2 332 40 40 PRO HG2 H 0.82 0.02 2 333 40 40 PRO HG3 H 0.82 0.02 2 334 40 40 PRO HD2 H 2.42 0.02 2 335 40 40 PRO HD3 H 2.03 0.02 2 336 40 40 PRO C C 175.8 0.2 1 337 40 40 PRO CA C 62.2 0.2 1 338 40 40 PRO CB C 31.7 0.2 1 339 40 40 PRO CG C 26.6 0.2 1 340 40 40 PRO CD C 50.0 0.2 1 341 41 41 ALA H H 8.28 0.02 1 342 41 41 ALA HA H 4.18 0.02 1 343 41 41 ALA HB H 1.40 0.02 1 344 41 41 ALA C C 179.0 0.2 1 345 41 41 ALA CA C 53.3 0.2 1 346 41 41 ALA CB C 18.3 0.2 1 347 41 41 ALA N N 122.7 0.2 1 348 42 42 GLY H H 8.77 0.02 1 349 42 42 GLY HA2 H 4.19 0.02 2 350 42 42 GLY HA3 H 3.56 0.02 2 351 42 42 GLY C C 173.8 0.2 1 352 42 42 GLY CA C 44.7 0.2 1 353 42 42 GLY N N 109.8 0.2 1 354 43 43 TRP H H 7.74 0.02 1 355 43 43 TRP HA H 4.95 0.02 1 356 43 43 TRP HB2 H 2.85 0.02 2 357 43 43 TRP HB3 H 2.76 0.02 2 358 43 43 TRP HD1 H 6.90 0.02 1 359 43 43 TRP HE1 H 10.16 0.02 1 360 43 43 TRP HE3 H 7.10 0.02 1 361 43 43 TRP HZ2 H 7.39 0.02 1 362 43 43 TRP HZ3 H 6.72 0.02 1 363 43 43 TRP HH2 H 6.86 0.02 1 364 43 43 TRP C C 174.9 0.2 1 365 43 43 TRP CA C 55.7 0.2 1 366 43 43 TRP CB C 32.0 0.2 1 367 43 43 TRP CD1 C 128.0 0.2 1 368 43 43 TRP CE3 C 121.3 0.2 1 369 43 43 TRP CZ2 C 114.7 0.2 1 370 43 43 TRP CZ3 C 121.3 0.2 1 371 43 43 TRP CH2 C 124.3 0.2 1 372 43 43 TRP N N 120.3 0.2 1 373 43 43 TRP NE1 N 129.3 0.2 1 374 44 44 ARG H H 8.99 0.02 1 375 44 44 ARG HA H 4.72 0.02 1 376 44 44 ARG HB2 H 1.65 0.02 2 377 44 44 ARG HB3 H 1.65 0.02 2 378 44 44 ARG HG2 H 1.53 0.02 2 379 44 44 ARG HG3 H 1.34 0.02 2 380 44 44 ARG HD2 H 3.07 0.02 2 381 44 44 ARG HD3 H 3.07 0.02 2 382 44 44 ARG C C 174.9 0.2 1 383 44 44 ARG CA C 53.9 0.2 1 384 44 44 ARG CB C 33.2 0.2 1 385 44 44 ARG CG C 26.9 0.2 1 386 44 44 ARG CD C 43.2 0.2 1 387 44 44 ARG N N 117.7 0.2 1 388 45 45 VAL H H 8.72 0.02 1 389 45 45 VAL HA H 3.98 0.02 1 390 45 45 VAL HB H 1.67 0.02 1 391 45 45 VAL HG1 H 0.55 0.02 2 392 45 45 VAL HG2 H 0.16 0.02 2 393 45 45 VAL C C 177.6 0.2 1 394 45 45 VAL CA C 63.7 0.2 1 395 45 45 VAL CB C 32.1 0.2 1 396 45 45 VAL CG1 C 21.7 0.2 2 397 45 45 VAL CG2 C 20.7 0.2 2 398 45 45 VAL N N 122.8 0.2 1 399 46 46 VAL H H 9.06 0.02 1 400 46 46 VAL HA H 4.68 0.02 1 401 46 46 VAL HB H 2.35 0.02 1 402 46 46 VAL HG1 H 0.94 0.02 2 403 46 46 VAL HG2 H 0.89 0.02 2 404 46 46 VAL C C 174.2 0.2 1 405 46 46 VAL CA C 60.5 0.2 1 406 46 46 VAL CB C 34.0 0.2 1 407 46 46 VAL CG1 C 22.4 0.2 2 408 46 46 VAL CG2 C 19.8 0.2 2 409 46 46 VAL N N 120.4 0.2 1 410 47 47 PHE H H 7.68 0.02 1 411 47 47 PHE HA H 4.45 0.02 1 412 47 47 PHE HB2 H 2.07 0.02 2 413 47 47 PHE HB3 H 1.86 0.02 2 414 47 47 PHE HD1 H 7.10 0.02 3 415 47 47 PHE HD2 H 7.10 0.02 3 416 47 47 PHE CA C 58.7 0.2 1 417 47 47 PHE CB C 41.7 0.2 1 418 47 47 PHE CD1 C 132.6 0.2 3 419 47 47 PHE CD2 C 132.6 0.2 3 420 47 47 PHE N N 121.1 0.2 1 421 48 48 GLY H H 7.38 0.02 1 422 48 48 GLY HA2 H 2.81 0.02 2 423 48 48 GLY HA3 H 2.81 0.02 2 424 48 48 GLY C C 174.7 0.2 1 425 48 48 GLY CA C 42.0 0.2 1 426 48 48 GLY N N 112.6 0.2 1 427 49 49 GLU H H 8.51 0.02 1 428 49 49 GLU HA H 4.23 0.02 1 429 49 49 GLU HB2 H 1.69 0.02 2 430 49 49 GLU HB3 H 1.55 0.02 2 431 49 49 GLU HG2 H 2.18 0.02 2 432 49 49 GLU HG3 H 2.01 0.02 2 433 49 49 GLU C C 174.9 0.2 1 434 49 49 GLU CA C 56.3 0.2 1 435 49 49 GLU CB C 31.2 0.2 1 436 49 49 GLU CG C 34.9 0.2 1 437 49 49 GLU N N 120.6 0.2 1 438 50 50 ALA H H 9.44 0.02 1 439 50 50 ALA HA H 4.64 0.02 1 440 50 50 ALA HB H 1.57 0.02 1 441 50 50 ALA C C 175.1 0.2 1 442 50 50 ALA CA C 51.4 0.2 1 443 50 50 ALA CB C 23.2 0.2 1 444 50 50 ALA N N 126.6 0.2 1 445 51 51 SER H H 8.95 0.02 1 446 51 51 SER HA H 4.74 0.02 1 447 51 51 SER HB2 H 4.54 0.02 2 448 51 51 SER HB3 H 4.19 0.02 2 449 51 51 SER C C 175.0 0.2 1 450 51 51 SER CA C 58.1 0.2 1 451 51 51 SER CB C 64.7 0.2 1 452 51 51 SER N N 115.1 0.2 1 453 52 52 ARG H H 9.54 0.02 1 454 52 52 ARG HA H 3.41 0.02 1 455 52 52 ARG HB2 H 1.77 0.02 2 456 52 52 ARG HB3 H 1.77 0.02 2 457 52 52 ARG HG2 H 1.29 0.02 2 458 52 52 ARG HG3 H 0.45 0.02 2 459 52 52 ARG HD2 H 2.87 0.02 2 460 52 52 ARG HD3 H 2.73 0.02 2 461 52 52 ARG C C 178.2 0.2 1 462 52 52 ARG CA C 61.0 0.2 1 463 52 52 ARG CB C 29.9 0.2 1 464 52 52 ARG CG C 27.5 0.2 1 465 52 52 ARG CD C 42.8 0.2 1 466 52 52 ARG N N 123.5 0.2 1 467 53 53 ALA H H 8.77 0.02 1 468 53 53 ALA HA H 4.03 0.02 1 469 53 53 ALA HB H 1.44 0.02 1 470 53 53 ALA C C 181.0 0.2 1 471 53 53 ALA CA C 55.3 0.2 1 472 53 53 ALA CB C 18.1 0.2 1 473 53 53 ALA N N 118.0 0.2 1 474 54 54 SER H H 8.14 0.02 1 475 54 54 SER HA H 4.35 0.02 1 476 54 54 SER HB2 H 4.29 0.02 2 477 54 54 SER HB3 H 4.18 0.02 2 478 54 54 SER C C 177.5 0.2 1 479 54 54 SER CA C 61.9 0.2 1 480 54 54 SER CB C 63.1 0.2 1 481 54 54 SER N N 115.3 0.2 1 482 55 55 CYS H H 8.43 0.02 1 483 55 55 CYS HA H 4.16 0.02 1 484 55 55 CYS HB2 H 3.24 0.02 2 485 55 55 CYS HB3 H 2.49 0.02 2 486 55 55 CYS C C 176.3 0.2 1 487 55 55 CYS CA C 64.3 0.2 1 488 55 55 CYS CB C 27.0 0.2 1 489 55 55 CYS N N 121.9 0.2 1 490 56 56 VAL H H 8.75 0.02 1 491 56 56 VAL HA H 3.49 0.02 1 492 56 56 VAL HB H 2.08 0.02 1 493 56 56 VAL HG1 H 0.96 0.02 2 494 56 56 VAL HG2 H 0.91 0.02 2 495 56 56 VAL C C 177.8 0.2 1 496 56 56 VAL CA C 67.0 0.2 1 497 56 56 VAL CB C 31.6 0.2 1 498 56 56 VAL CG1 C 23.3 0.2 2 499 56 56 VAL CG2 C 21.2 0.2 2 500 56 56 VAL N N 121.1 0.2 1 501 57 57 GLU H H 7.78 0.02 1 502 57 57 GLU HA H 4.07 0.02 1 503 57 57 GLU HB2 H 2.11 0.02 2 504 57 57 GLU HB3 H 2.11 0.02 2 505 57 57 GLU HG2 H 2.35 0.02 2 506 57 57 GLU HG3 H 2.15 0.02 2 507 57 57 GLU C C 177.9 0.2 1 508 57 57 GLU CA C 59.3 0.2 1 509 57 57 GLU CB C 29.5 0.2 1 510 57 57 GLU CG C 36.4 0.2 1 511 57 57 GLU N N 119.2 0.2 1 512 58 58 TYR H H 7.70 0.02 1 513 58 58 TYR HA H 3.89 0.02 1 514 58 58 TYR HB2 H 2.93 0.02 2 515 58 58 TYR HB3 H 1.91 0.02 2 516 58 58 TYR HD1 H 6.50 0.02 3 517 58 58 TYR HD2 H 6.50 0.02 3 518 58 58 TYR HE1 H 6.45 0.02 3 519 58 58 TYR HE2 H 6.45 0.02 3 520 58 58 TYR CA C 62.2 0.2 1 521 58 58 TYR CB C 37.2 0.2 1 522 58 58 TYR CD1 C 133.6 0.2 3 523 58 58 TYR CD2 C 133.6 0.2 3 524 58 58 TYR CE1 C 117.3 0.2 3 525 58 58 TYR CE2 C 117.3 0.2 3 526 58 58 TYR N N 119.4 0.2 1 527 59 59 VAL H H 8.38 0.02 1 528 59 59 VAL HA H 3.36 0.02 1 529 59 59 VAL HB H 2.30 0.02 1 530 59 59 VAL HG1 H 1.12 0.02 2 531 59 59 VAL HG2 H 0.97 0.02 2 532 59 59 VAL C C 176.3 0.2 1 533 59 59 VAL CA C 67.4 0.2 1 534 59 59 VAL CB C 31.4 0.2 1 535 59 59 VAL CG1 C 24.3 0.2 2 536 59 59 VAL CG2 C 22.0 0.2 2 537 59 59 VAL N N 121.5 0.2 1 538 60 60 ASP H H 8.58 0.02 1 539 60 60 ASP HA H 4.41 0.02 1 540 60 60 ASP HB2 H 2.77 0.02 2 541 60 60 ASP HB3 H 2.63 0.02 2 542 60 60 ASP C C 178.3 0.2 1 543 60 60 ASP CA C 57.1 0.2 1 544 60 60 ASP CB C 40.6 0.2 1 545 60 60 ASP N N 120.0 0.2 1 546 61 61 GLN H H 7.81 0.02 1 547 61 61 GLN HA H 4.01 0.02 1 548 61 61 GLN HB2 H 1.80 0.02 2 549 61 61 GLN HB3 H 1.67 0.02 2 550 61 61 GLN HG2 H 2.39 0.02 2 551 61 61 GLN HG3 H 2.18 0.02 2 552 61 61 GLN HE21 H 7.46 0.02 2 553 61 61 GLN HE22 H 6.75 0.02 2 554 61 61 GLN C C 176.7 0.2 1 555 61 61 GLN CA C 56.7 0.2 1 556 61 61 GLN CB C 28.8 0.2 1 557 61 61 GLN CG C 33.6 0.2 1 558 61 61 GLN N N 114.5 0.2 1 559 61 61 GLN NE2 N 111.4 0.2 1 560 62 62 HIS H H 7.73 0.02 1 561 62 62 HIS HA H 4.38 0.02 1 562 62 62 HIS HB2 H 2.93 0.02 2 563 62 62 HIS HB3 H 2.20 0.02 2 564 62 62 HIS HE1 H 8.03 0.02 1 565 62 62 HIS CA C 57.3 0.2 1 566 62 62 HIS CB C 29.0 0.2 1 567 62 62 HIS CE1 C 136.2 0.2 1 568 62 62 HIS N N 115.1 0.2 1 569 63 63 TRP H H 8.18 0.02 1 570 63 63 TRP HD1 H 7.41 0.02 1 571 63 63 TRP HE1 H 10.36 0.02 1 572 63 63 TRP HE3 H 7.68 0.02 1 573 63 63 TRP HZ2 H 7.53 0.02 1 574 63 63 TRP HZ3 H 7.08 0.02 1 575 63 63 TRP HH2 H 7.19 0.02 1 576 63 63 TRP CA C 58.8 0.2 1 577 63 63 TRP CB C 29.7 0.2 1 578 63 63 TRP CD1 C 127.5 0.2 1 579 63 63 TRP CE3 C 121.5 0.2 1 580 63 63 TRP CZ2 C 114.8 0.2 1 581 63 63 TRP CZ3 C 121.7 0.2 1 582 63 63 TRP CH2 C 124.4 0.2 1 583 63 63 TRP N N 121.5 0.2 1 584 63 63 TRP NE1 N 130.1 0.2 1 585 64 64 THR H H 7.94 0.02 1 586 64 64 THR HA H 4.18 0.02 1 587 64 64 THR HB H 4.16 0.02 1 588 64 64 THR HG2 H 1.08 0.02 1 589 64 64 THR CA C 62.1 0.2 1 590 64 64 THR CB C 69.5 0.2 1 591 64 64 THR CG2 C 21.4 0.2 1 592 64 64 THR N N 114.9 0.2 1 593 65 65 ASP H H 8.34 0.02 1 594 65 65 ASP CA C 54.4 0.2 1 595 65 65 ASP CB C 41.1 0.2 1 596 65 65 ASP N N 122.9 0.2 1 597 66 66 ILE H H 8.25 0.02 1 598 66 66 ILE HA H 4.16 0.02 1 599 66 66 ILE HB H 1.85 0.02 1 600 66 66 ILE HG12 H 1.44 0.02 2 601 66 66 ILE HG13 H 1.16 0.02 2 602 66 66 ILE HG2 H 0.88 0.02 1 603 66 66 ILE HD1 H 0.74 0.02 1 604 66 66 ILE CA C 61.1 0.2 1 605 66 66 ILE CB C 38.5 0.2 1 606 66 66 ILE CG1 C 27.3 0.2 1 607 66 66 ILE CG2 C 17.5 0.2 1 608 66 66 ILE CD1 C 12.7 0.2 1 609 66 66 ILE N N 122.2 0.2 1 610 67 67 ARG H H 8.49 0.02 1 611 67 67 ARG CA C 53.9 0.2 1 612 67 67 ARG CB C 30.0 0.2 1 613 67 67 ARG N N 124.0 0.2 1 614 68 68 PRO HA H 4.44 0.02 1 615 68 68 PRO HB2 H 2.32 0.02 2 616 68 68 PRO HB3 H 1.91 0.02 2 617 68 68 PRO HG2 H 2.04 0.02 2 618 68 68 PRO HG3 H 2.04 0.02 2 619 68 68 PRO HD2 H 3.89 0.02 2 620 68 68 PRO HD3 H 3.60 0.02 2 621 68 68 PRO CA C 63.1 0.2 1 622 68 68 PRO CB C 32.1 0.2 1 623 68 68 PRO CG C 27.6 0.2 1 624 68 68 PRO CD C 50.6 0.2 1 625 69 69 LYS H H 8.27 0.02 1 626 69 69 LYS HA H 4.33 0.02 1 627 69 69 LYS HB2 H 1.80 0.02 2 628 69 69 LYS HB3 H 1.73 0.02 2 629 69 69 LYS HG2 H 1.42 0.02 2 630 69 69 LYS HG3 H 1.36 0.02 2 631 69 69 LYS HD2 H 1.67 0.02 2 632 69 69 LYS HD3 H 1.67 0.02 2 633 69 69 LYS HE2 H 3.00 0.02 2 634 69 69 LYS HE3 H 3.00 0.02 2 635 69 69 LYS C C 175.9 0.2 1 636 69 69 LYS CA C 56.3 0.2 1 637 69 69 LYS CB C 33.0 0.2 1 638 69 69 LYS CG C 24.8 0.2 1 639 69 69 LYS CD C 29.0 0.2 1 640 69 69 LYS CE C 42.1 0.2 1 641 70 70 SER H H 8.14 0.02 1 642 70 70 SER HA H 4.58 0.02 1 643 70 70 SER CA C 59.9 0.2 1 644 70 70 SER CB C 65.1 0.2 1 645 70 70 SER N N 122.3 0.2 1 646 75 75 LEU HA H 4.32 0.02 1 647 75 75 LEU HB2 H 1.68 0.02 2 648 75 75 LEU HB3 H 1.59 0.02 2 649 75 75 LEU HG H 1.67 0.02 1 650 75 75 LEU HD1 H 0.86 0.02 2 651 75 75 LEU HD2 H 0.83 0.02 2 652 75 75 LEU CA C 55.4 0.2 1 653 75 75 LEU CB C 42.1 0.2 1 654 75 75 LEU CG C 26.8 0.2 1 655 75 75 LEU CD1 C 25.0 0.2 2 656 75 75 LEU CD2 C 23.2 0.2 2 657 76 76 ALA H H 8.20 0.02 1 658 76 76 ALA HA H 4.33 0.02 1 659 76 76 ALA HB H 1.43 0.02 1 660 76 76 ALA CA C 52.7 0.2 1 661 76 76 ALA CB C 19.0 0.2 1 662 76 76 ALA N N 124.0 0.2 1 663 77 77 SER H H 8.21 0.02 1 664 77 77 SER HA H 4.45 0.02 1 665 77 77 SER HB2 H 3.92 0.02 2 666 77 77 SER HB3 H 3.79 0.02 2 667 77 77 SER CA C 58.2 0.2 1 668 77 77 SER CB C 63.9 0.2 1 669 77 77 SER N N 114.1 0.2 1 670 78 78 GLY H H 8.39 0.02 1 671 78 78 GLY HA2 H 4.05 0.02 2 672 78 78 GLY HA3 H 4.05 0.02 2 673 78 78 GLY CA C 45.4 0.2 1 674 78 78 GLY N N 110.5 0.2 1 675 79 79 GLN H H 8.25 0.02 1 676 79 79 GLN CA C 55.6 0.2 1 677 79 79 GLN CB C 29.6 0.2 1 678 79 79 GLN CG C 33.8 0.2 1 679 79 79 GLN N N 119.6 0.2 1 680 80 80 GLY H H 8.15 0.02 1 681 80 80 GLY HA2 H 3.76 0.02 2 682 80 80 GLY HA3 H 3.76 0.02 2 683 80 80 GLY CA C 46.0 0.2 1 684 80 80 GLY N N 116.1 0.2 1 stop_ save_