data_16995 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Solution structure of a bolA protein (ECH_0303) from Ehrlichia chaffeensis, the causative agent of human monocytic ehrlichiosis. Seattle Structural Genomics Center for Infectious Disease (SSGCID) target EhchA.10365.a ; _BMRB_accession_number 16995 _BMRB_flat_file_name bmr16995.str _Entry_type original _Submission_date 2010-06-10 _Accession_date 2010-06-10 _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 Garry Buchko W. . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 369 "13C chemical shifts" 272 "15N chemical shifts" 66 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2010-07-01 original author . stop_ _Original_release_date 2010-07-01 save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full . _Citation_title 'Structural characterization of a BolA protein (ECH_0303) from Ehrlichia chaffeensis, the agent responsible for human monocytotropic ehrlichiosis.' _Citation_status 'in preparation' _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID ? loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Buchko Garry W. . 2 Hewitt Stephen N. . 3 Napuli Alberto J. . 4 'Van Voorhis' Wesley C. . 5 Myler Peter J. . stop_ _Journal_abbreviation 'Not known' _Journal_volume . _Journal_issue . _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first . _Page_last . _Year . _Details . save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name 'bolA protein (ECH_0303)' _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label ECH_0303 $ECH_0303 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_ECH_0303 _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common ECH_0303 _Molecular_mass . _Mol_thiol_state 'all free' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 76 _Mol_residue_sequence ; PGSMTVTQSQLELLIRNAFP EAEITVTSLVGDNNHYSIKV ISSQFQGKSKLEQHRMIYKV LDGLNIHAIQIQTGCK ; loop_ _Residue_seq_code _Residue_label 1 PRO 2 GLY 3 SER 4 MET 5 THR 6 VAL 7 THR 8 GLN 9 SER 10 GLN 11 LEU 12 GLU 13 LEU 14 LEU 15 ILE 16 ARG 17 ASN 18 ALA 19 PHE 20 PRO 21 GLU 22 ALA 23 GLU 24 ILE 25 THR 26 VAL 27 THR 28 SER 29 LEU 30 VAL 31 GLY 32 ASP 33 ASN 34 ASN 35 HIS 36 TYR 37 SER 38 ILE 39 LYS 40 VAL 41 ILE 42 SER 43 SER 44 GLN 45 PHE 46 GLN 47 GLY 48 LYS 49 SER 50 LYS 51 LEU 52 GLU 53 GLN 54 HIS 55 ARG 56 MET 57 ILE 58 TYR 59 LYS 60 VAL 61 LEU 62 ASP 63 GLY 64 LEU 65 ASN 66 ILE 67 HIS 68 ALA 69 ILE 70 GLN 71 ILE 72 GLN 73 THR 74 GLY 75 CYS 76 LYS stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date 2015-03-16 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 2KZ0 "Solution Structure Of A Bola Protein (Ech_0303) From Ehrlichia Chaffeensis. Seattle Structural Genomics Center For Infectious D" 100.00 76 100.00 100.00 9.94e-48 GB ABD45544 "BolA family protein [Ehrlichia chaffeensis str. Arkansas]" 96.05 73 100.00 100.00 5.46e-45 GB AHX03418 "bolA-like family protein [Ehrlichia chaffeensis str. Heartland]" 96.05 73 100.00 100.00 5.46e-45 GB AHX05861 "bolA-like family protein [Ehrlichia chaffeensis str. Jax]" 96.05 73 100.00 100.00 5.46e-45 GB AHX06852 "bolA-like family protein [Ehrlichia chaffeensis str. Liberty]" 96.05 73 100.00 100.00 5.46e-45 GB AHX07132 "bolA-like family protein [Ehrlichia chaffeensis str. Osceola]" 96.05 73 100.00 100.00 5.46e-45 REF WP_006011371 "cell division protein BolA [Ehrlichia chaffeensis]" 96.05 73 100.00 100.00 5.46e-45 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 $ECH_0303 'Ehrlichia chaffeensis' 945 Bacteria . Ehrlichia chaffeensis Arkansas ECH_0303 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 $ECH_0303 'recombinant technology' . Escherichia coli BL21 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 $ECH_0303 1.5 mM '[U-99% 13C; U-99% 15N]' 'sodium chloride' 100 mM 'natural abundance' TRIS 20 mM 'natural abundance' DTT 1 mM 'natural abundance' H2O 90 % 'natural abundance' D2O 10 % 'natural abundance' stop_ save_ save_sample_2 _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $ECH_0303 1.0 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_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_Felix _Saveframe_category software _Name FELIX _Version 2007 loop_ _Vendor _Address _Electronic_address 'Accelrys Software Inc.' . . stop_ loop_ _Task processing stop_ _Details . save_ save_SPARKY _Saveframe_category software _Name SPARKY _Version 3.115 loop_ _Vendor _Address _Electronic_address Goddard . . stop_ loop_ _Task 'data analysis' stop_ _Details . save_ 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_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Varian _Model INOVA _Field_strength 600 _Details . save_ save_spectrometer_2 _Saveframe_category NMR_spectrometer _Manufacturer Varian _Model INOVA _Field_strength 750 _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_2D_1H-13C_HSQC_2 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-13C HSQC' _Sample_label $sample_1 save_ save_3D_HNCACB_3 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCACB' _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_HN(COCA)CB_5 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HN(COCA)CB' _Sample_label $sample_1 save_ save_3D_HCCH-TOCSY_6 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HCCH-TOCSY' _Sample_label $sample_1 save_ save_3D_1H-15N_NOESY_7 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-15N NOESY' _Sample_label $sample_1 save_ save_3D_1H-13C_NOESY_8 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-13C NOESY' _Sample_label $sample_1 save_ save_2D_1H-15N_HSQC_9 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-15N HSQC' _Sample_label $sample_2 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' 0.12 0.01 M pH 7.1 0.1 pH pressure 1 . atm temperature 293 . K stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference_1 _Saveframe_category chemical_shift_reference _Details . loop_ _Mol_common_name _Atom_type _Atom_isotope_number _Atom_group _Chem_shift_units _Chem_shift_value _Reference_method _Reference_type _External_reference_sample_geometry _External_reference_location _External_reference_axis _Indirect_shift_ratio DSS C 13 'methyl protons' ppm 0.00 na indirect . . . 0.251449530 DSS H 1 'methyl protons' ppm 0.00 internal direct . . . 1.000000000 DSS N 15 'methyl protons' ppm 0.00 na indirect . . . 0.101329118 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_assigned_chem_shift_list_1 _Saveframe_category assigned_chemical_shifts _Details . loop_ _Software_label $Felix $SPARKY stop_ loop_ _Experiment_label '2D 1H-15N HSQC' '3D HNCO' '3D HN(COCA)CB' '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 ECH_0303 _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 PRO HA H 4.52 0.02 1 2 1 1 PRO HB2 H 2.33 0.02 2 3 1 1 PRO HB3 H 2.33 0.02 2 4 1 1 PRO HD2 H 3.61 0.02 2 5 1 1 PRO HD3 H 3.58 0.02 2 6 1 1 PRO HG2 H 2.04 0.02 2 7 1 1 PRO HG3 H 2.04 0.02 2 8 1 1 PRO C C 177.6 0.2 1 9 1 1 PRO CA C 63.3 0.2 1 10 1 1 PRO CB C 32.1 0.2 1 11 1 1 PRO CD C 49.6 0.2 1 12 1 1 PRO CG C 27.0 0.2 1 13 2 2 GLY H H 8.56 0.02 1 14 2 2 GLY HA2 H 4.00 0.02 2 15 2 2 GLY HA3 H 4.00 0.02 2 16 2 2 GLY CA C 45.3 0.2 1 17 2 2 GLY N N 109.5 0.2 1 18 3 3 SER H H 8.15 0.02 1 19 3 3 SER HA H 4.49 0.02 1 20 3 3 SER HB2 H 3.90 0.02 2 21 3 3 SER HB3 H 3.90 0.02 2 22 3 3 SER CA C 58.3 0.2 1 23 3 3 SER CB C 63.9 0.2 1 24 3 3 SER N N 115.1 0.2 1 25 4 4 MET HE H 2.10 0.02 1 26 4 4 MET CE C 16.9 0.2 1 27 5 5 THR HA H 4.51 0.02 1 28 5 5 THR HB H 4.21 0.02 1 29 5 5 THR HG2 H 1.27 0.02 1 30 5 5 THR C C 174.0 0.2 1 31 5 5 THR CA C 62.2 0.2 1 32 5 5 THR CB C 69.8 0.2 1 33 5 5 THR CG2 C 21.7 0.2 1 34 6 6 VAL H H 8.54 0.02 1 35 6 6 VAL HB H 2.12 0.02 1 36 6 6 VAL HG1 H 0.91 0.02 2 37 6 6 VAL HG2 H 0.91 0.02 2 38 6 6 VAL C C 175.7 0.2 1 39 6 6 VAL CA C 60.7 0.2 1 40 6 6 VAL CB C 34.1 0.2 1 41 6 6 VAL CG1 C 20.9 0.2 2 42 6 6 VAL CG2 C 20.9 0.2 2 43 6 6 VAL N N 121.8 0.2 1 44 7 7 THR H H 8.06 0.02 1 45 7 7 THR HA H 4.61 0.02 1 46 7 7 THR HB H 4.70 0.02 1 47 7 7 THR HG2 H 1.30 0.02 1 48 7 7 THR C C 174.5 0.2 1 49 7 7 THR CA C 60.3 0.2 1 50 7 7 THR CB C 71.5 0.2 1 51 7 7 THR N N 115.3 0.2 1 52 8 8 GLN H H 9.02 0.02 1 53 8 8 GLN HA H 3.57 0.02 1 54 8 8 GLN HB2 H 2.38 0.02 2 55 8 8 GLN HB3 H 2.14 0.02 2 56 8 8 GLN HE21 H 7.68 0.02 2 57 8 8 GLN HE22 H 6.86 0.02 2 58 8 8 GLN HG2 H 2.31 0.02 2 59 8 8 GLN HG3 H 2.22 0.02 2 60 8 8 GLN C C 177.7 0.2 1 61 8 8 GLN CA C 60.2 0.2 1 62 8 8 GLN CB C 28.0 0.2 1 63 8 8 GLN CG C 33.2 0.2 1 64 8 8 GLN N N 121.5 0.2 1 65 8 8 GLN NE2 N 111.8 0.2 1 66 9 9 SER H H 8.43 0.02 1 67 9 9 SER HA H 4.24 0.02 1 68 9 9 SER HB2 H 3.88 0.02 2 69 9 9 SER HB3 H 3.88 0.02 2 70 9 9 SER C C 177.2 0.2 1 71 9 9 SER CA C 61.2 0.2 1 72 9 9 SER CB C 62.4 0.2 1 73 9 9 SER N N 112.4 0.2 1 74 10 10 GLN H H 7.62 0.02 1 75 10 10 GLN HA H 4.02 0.02 1 76 10 10 GLN HB2 H 2.24 0.02 2 77 10 10 GLN HB3 H 2.00 0.02 2 78 10 10 GLN CA C 58.5 0.2 1 79 10 10 GLN CB C 28.8 0.2 1 80 10 10 GLN N N 122.4 0.2 1 81 11 11 LEU HA H 3.86 0.02 1 82 11 11 LEU HB2 H 1.42 0.02 2 83 11 11 LEU HB3 H 1.34 0.02 2 84 11 11 LEU HD1 H 0.42 0.2 2 85 11 11 LEU HD2 H 0.42 0.2 2 86 11 11 LEU C C 177.9 0.2 1 87 11 11 LEU CA C 57.8 0.2 1 88 11 11 LEU CB C 41.7 0.2 1 89 11 11 LEU CD1 C 24.1 0.2 2 90 11 11 LEU CD2 C 24.1 0.2 2 91 12 12 GLU H H 8.32 0.02 1 92 12 12 GLU HA H 3.55 0.02 1 93 12 12 GLU HB2 H 2.13 0.02 2 94 12 12 GLU HB3 H 2.02 0.02 2 95 12 12 GLU HG2 H 2.30 0.02 2 96 12 12 GLU HG3 H 2.10 0.02 2 97 12 12 GLU C C 177.9 0.2 1 98 12 12 GLU CA C 60.6 0.2 1 99 12 12 GLU CB C 29.6 0.2 1 100 12 12 GLU CG C 37.1 0.2 1 101 12 12 GLU N N 117.4 0.2 1 102 13 13 LEU H H 7.91 0.02 1 103 13 13 LEU HA H 4.04 0.02 1 104 13 13 LEU HB2 H 1.72 0.02 2 105 13 13 LEU HB3 H 1.72 0.02 2 106 13 13 LEU HD1 H 0.90 0.02 2 107 13 13 LEU HD2 H 0.90 0.02 2 108 13 13 LEU C C 178.6 0.2 1 109 13 13 LEU CA C 58.1 0.2 1 110 13 13 LEU CB C 41.9 0.2 1 111 13 13 LEU CD1 C 24.2 0.2 2 112 13 13 LEU CD2 C 24.2 0.2 2 113 13 13 LEU N N 119.1 0.2 1 114 14 14 LEU H H 7.64 0.02 1 115 14 14 LEU HA H 4.03 0.02 1 116 14 14 LEU HB2 H 1.88 0.02 2 117 14 14 LEU HB3 H 1.44 0.02 2 118 14 14 LEU CA C 58.0 0.2 1 119 14 14 LEU CB C 42.4 0.2 1 120 14 14 LEU N N 118.7 0.2 1 121 15 15 ILE HA H 3.81 0.02 1 122 15 15 ILE HB H 1.89 0.02 1 123 15 15 ILE HD1 H 0.64 0.2 1 124 15 15 ILE HG2 H 0.92 0.2 1 125 15 15 ILE C C 177.4 0.2 1 126 15 15 ILE CA C 64.5 0.2 1 127 15 15 ILE CB C 37.0 0.2 1 128 15 15 ILE CD1 C 12.5 0.2 1 129 15 15 ILE CG2 C 19.1 0.2 1 130 16 16 ARG H H 8.75 0.02 1 131 16 16 ARG HA H 3.87 0.02 1 132 16 16 ARG HB2 H 1.93 0.02 2 133 16 16 ARG HB3 H 1.93 0.02 2 134 16 16 ARG HD2 H 3.37 0.02 2 135 16 16 ARG HD3 H 3.20 0.02 2 136 16 16 ARG HG2 H 1.77 0.02 2 137 16 16 ARG HG3 H 1.77 0.02 2 138 16 16 ARG CA C 58.5 0.2 1 139 16 16 ARG CB C 28.6 0.2 1 140 16 16 ARG CD C 42.4 0.2 1 141 16 16 ARG CG C 26.9 0.2 1 142 16 16 ARG N N 121.8 0.2 1 143 17 17 ASN H H 8.16 0.02 1 144 17 17 ASN HA H 4.37 0.02 1 145 17 17 ASN HB2 H 2.85 0.02 2 146 17 17 ASN HB3 H 2.73 0.02 2 147 17 17 ASN HD21 H 7.67 0.02 2 148 17 17 ASN HD22 H 6.76 0.02 2 149 17 17 ASN C C 176.6 0.2 1 150 17 17 ASN CA C 55.3 0.2 1 151 17 17 ASN CB C 38.1 0.2 1 152 17 17 ASN N N 115.0 0.2 1 153 17 17 ASN ND2 N 111.2 0.2 1 154 18 18 ALA H H 7.11 0.02 1 155 18 18 ALA HA H 4.14 0.02 1 156 18 18 ALA HB H 1.26 0.02 1 157 18 18 ALA C C 176.7 0.2 1 158 18 18 ALA CA C 53.1 0.2 1 159 18 18 ALA CB C 21.0 0.2 1 160 18 18 ALA N N 119.7 0.2 1 161 19 19 PHE H H 8.05 0.02 1 162 19 19 PHE HA H 4.77 0.02 1 163 19 19 PHE HB2 H 2.92 0.02 2 164 19 19 PHE HB3 H 2.78 0.02 2 165 19 19 PHE HD1 H 7.27 0.02 3 166 19 19 PHE HD2 H 7.27 0.02 3 167 19 19 PHE HE1 H 6.84 0.02 3 168 19 19 PHE HE2 H 6.84 0.02 3 169 19 19 PHE HZ H 7.01 0.02 1 170 19 19 PHE CA C 55.4 0.2 1 171 19 19 PHE CB C 39.0 0.2 1 172 19 19 PHE CD1 C 132.8 0.2 3 173 19 19 PHE CD2 C 132.8 0.2 3 174 19 19 PHE CE1 C 130.3 0.2 3 175 19 19 PHE CE2 C 130.3 0.2 3 176 19 19 PHE CZ C 128.3 0.2 1 177 19 19 PHE N N 117.2 0.2 1 178 20 20 PRO HA H 4.60 0.02 1 179 20 20 PRO HB2 H 2.40 0.02 2 180 20 20 PRO HB3 H 1.97 0.02 2 181 20 20 PRO HD2 H 3.49 0.02 2 182 20 20 PRO HD3 H 3.25 0.02 2 183 20 20 PRO HG2 H 1.97 0.02 2 184 20 20 PRO HG3 H 1.97 0.02 2 185 20 20 PRO C C 178.6 0.2 1 186 20 20 PRO CA C 65.2 0.2 1 187 20 20 PRO CB C 32.2 0.2 1 188 20 20 PRO CD C 50.0 0.2 1 189 20 20 PRO CG C 27.5 0.2 1 190 21 21 GLU H H 8.28 0.02 1 191 21 21 GLU HA H 4.58 0.02 1 192 21 21 GLU HB2 H 2.29 0.02 2 193 21 21 GLU HB3 H 2.29 0.02 2 194 21 21 GLU C C 175.9 0.2 1 195 21 21 GLU CA C 55.1 0.2 1 196 21 21 GLU CB C 29.7 0.2 1 197 21 21 GLU N N 116.2 0.2 1 198 22 22 ALA H H 7.43 0.02 1 199 22 22 ALA HA H 4.60 0.02 1 200 22 22 ALA HB H 1.40 0.02 1 201 22 22 ALA C C 177.8 0.2 1 202 22 22 ALA CA C 52.3 0.2 1 203 22 22 ALA CB C 22.4 0.2 1 204 22 22 ALA N N 123.2 0.2 1 205 23 23 GLU H H 8.53 0.02 1 206 23 23 GLU HA H 4.63 0.02 1 207 23 23 GLU HB2 H 2.00 0.02 2 208 23 23 GLU HB3 H 1.94 0.02 2 209 23 23 GLU HG2 H 2.25 0.02 2 210 23 23 GLU HG3 H 2.17 0.02 2 211 23 23 GLU C C 176.0 0.2 1 212 23 23 GLU CA C 54.8 0.2 1 213 23 23 GLU CB C 29.9 0.2 1 214 23 23 GLU CG C 35.7 0.2 1 215 23 23 GLU N N 120.4 0.2 1 216 24 24 ILE H H 8.73 0.02 1 217 24 24 ILE HA H 5.01 0.02 1 218 24 24 ILE HB H 1.61 0.02 1 219 24 24 ILE HD1 H 0.92 0.02 1 220 24 24 ILE HG2 H 0.77 0.02 1 221 24 24 ILE C C 175.4 0.2 1 222 24 24 ILE CA C 60.1 0.2 1 223 24 24 ILE CB C 42.0 0.2 1 224 24 24 ILE CD1 C 14.5 0.2 1 225 24 24 ILE CG2 C 17.6 0.2 1 226 24 24 ILE N N 127.9 0.2 1 227 25 25 THR H H 9.09 0.02 1 228 25 25 THR HA H 4.57 0.02 1 229 25 25 THR HB H 3.93 0.02 1 230 25 25 THR HG2 H 1.16 0.02 1 231 25 25 THR C C 173.4 0.2 1 232 25 25 THR CA C 61.9 0.2 1 233 25 25 THR CB C 71.1 0.2 1 234 25 25 THR CG2 C 21.4 0.2 1 235 25 25 THR N N 122.9 0.2 1 236 26 26 VAL H H 9.38 0.02 1 237 26 26 VAL HB H 2.09 0.02 1 238 26 26 VAL HG1 H 0.77 0.02 2 239 26 26 VAL HG2 H 0.77 0.02 2 240 26 26 VAL C C 174.5 0.2 1 241 26 26 VAL CA C 61.5 0.2 1 242 26 26 VAL CB C 33.4 0.2 1 243 26 26 VAL CG1 C 21.2 0.2 2 244 26 26 VAL CG2 C 21.2 0.2 2 245 26 26 VAL N N 129.8 0.2 1 246 27 27 THR H H 9.05 0.02 1 247 27 27 THR HA H 4.79 0.02 1 248 27 27 THR HB H 4.07 0.02 1 249 27 27 THR HG2 H 1.20 0.02 1 250 27 27 THR C C 173.7 0.2 1 251 27 27 THR CA C 60.8 0.2 1 252 27 27 THR CB C 71.2 0.2 1 253 27 27 THR CG2 C 21.5 0.2 1 254 27 27 THR N N 121.3 0.2 1 255 28 28 SER H H 8.96 0.02 1 256 28 28 SER HA H 4.61 0.02 1 257 28 28 SER HB2 H 3.87 0.02 2 258 28 28 SER HB3 H 3.83 0.02 2 259 28 28 SER C C 174.2 0.2 1 260 28 28 SER CA C 57.9 0.2 1 261 28 28 SER CB C 63.8 0.2 1 262 28 28 SER N N 120.8 0.2 1 263 29 29 LEU H H 8.07 0.02 1 264 29 29 LEU HA H 4.43 0.02 1 265 29 29 LEU HD1 H 0.76 0.02 2 266 29 29 LEU HD2 H 0.76 0.02 2 267 29 29 LEU C C 174.2 0.2 1 268 29 29 LEU CA C 54.5 0.2 1 269 29 29 LEU CD1 C 22.8 0.2 2 270 29 29 LEU CD2 C 22.8 0.2 2 271 29 29 LEU N N 126.5 0.2 1 272 30 30 VAL H H 8.20 0.02 1 273 30 30 VAL HA H 3.98 0.02 1 274 30 30 VAL HB H 2.01 0.02 1 275 30 30 VAL HG1 H 0.89 0.02 2 276 30 30 VAL HG2 H 0.89 0.02 2 277 30 30 VAL C C 176.5 0.2 1 278 30 30 VAL CA C 63.0 0.2 1 279 30 30 VAL CB C 32.4 0.2 1 280 30 30 VAL CG1 C 20.9 0.2 2 281 30 30 VAL CG2 C 20.9 0.2 2 282 30 30 VAL N N 120.0 0.2 1 283 31 31 GLY H H 8.50 0.02 1 284 31 31 GLY HA2 H 4.14 0.02 2 285 31 31 GLY HA3 H 3.76 0.02 2 286 31 31 GLY C C 173.7 0.2 1 287 31 31 GLY CA C 45.3 0.2 1 288 31 31 GLY N N 113.3 0.2 1 289 32 32 ASP H H 7.97 0.02 1 290 32 32 ASP HA H 4.65 0.2 1 291 32 32 ASP HB2 H 2.54 0.02 2 292 32 32 ASP HB3 H 2.54 0.02 2 293 32 32 ASP C C 175.5 0.2 1 294 32 32 ASP CA C 53.7 0.2 1 295 32 32 ASP CB C 41.6 0.2 1 296 32 32 ASP N N 120.0 0.2 1 297 33 33 ASN H H 8.46 0.02 1 298 33 33 ASN HA H 4.70 0.02 1 299 33 33 ASN HB2 H 2.84 0.02 2 300 33 33 ASN HB3 H 2.68 0.02 2 301 33 33 ASN HD21 H 7.55 0.02 2 302 33 33 ASN HD22 H 6.89 0.02 2 303 33 33 ASN C C 174.8 0.2 1 304 33 33 ASN CA C 53.7 0.2 1 305 33 33 ASN CB C 38.6 0.2 1 306 33 33 ASN N N 117.4 0.2 1 307 33 33 ASN ND2 N 112.7 0.2 1 308 34 34 ASN H H 8.53 0.02 1 309 34 34 ASN HA H 4.65 0.02 1 310 34 34 ASN HB2 H 2.84 0.02 2 311 34 34 ASN HB3 H 2.84 0.02 2 312 34 34 ASN C C 173.6 0.2 1 313 34 34 ASN CA C 53.5 0.2 1 314 34 34 ASN CB C 38.9 0.2 1 315 34 34 ASN N N 116.1 0.2 1 316 35 35 HIS H H 8.05 0.02 1 317 35 35 HIS N N 118.5 0.2 1 318 36 36 TYR HA H 5.37 0.02 1 319 36 36 TYR HB2 H 2.82 0.02 2 320 36 36 TYR HB3 H 2.37 0.02 2 321 36 36 TYR HD1 H 6.79 0.02 3 322 36 36 TYR HD2 H 6.79 0.02 3 323 36 36 TYR HE1 H 6.65 0.02 3 324 36 36 TYR HE2 H 6.65 0.02 3 325 36 36 TYR C C 174.8 0.2 1 326 36 36 TYR CA C 57.4 0.2 1 327 36 36 TYR CB C 43.2 0.2 1 328 36 36 TYR CD1 C 133.1 0.2 3 329 36 36 TYR CD2 C 133.1 0.2 3 330 36 36 TYR CE1 C 117.8 0.2 3 331 36 36 TYR CE2 C 117.8 0.2 3 332 37 37 SER H H 9.13 0.02 1 333 37 37 SER HA H 5.39 0.02 1 334 37 37 SER HB2 H 3.76 0.02 2 335 37 37 SER HB3 H 3.76 0.02 2 336 37 37 SER CA C 55.9 0.2 1 337 37 37 SER CB C 64.3 0.2 1 338 37 37 SER N N 115.5 0.2 1 339 39 39 LYS HA H 5.63 0.02 1 340 39 39 LYS HB2 H 1.77 0.02 2 341 39 39 LYS HB3 H 1.58 0.02 2 342 39 39 LYS HD2 H 1.56 0.02 2 343 39 39 LYS HD3 H 1.52 0.02 2 344 39 39 LYS HE2 H 2.76 0.02 2 345 39 39 LYS HE3 H 2.76 0.02 2 346 39 39 LYS HG2 H 1.08 0.02 2 347 39 39 LYS HG3 H 1.08 0.02 2 348 39 39 LYS C C 175.2 0.2 1 349 39 39 LYS CA C 54.2 0.2 1 350 39 39 LYS CB C 34.9 0.2 1 351 39 39 LYS CD C 29.6 0.2 1 352 39 39 LYS CE C 41.7 0.2 1 353 39 39 LYS CG C 24.9 0.2 1 354 40 40 VAL H H 8.41 0.02 1 355 40 40 VAL HA H 4.67 0.02 1 356 40 40 VAL HB H 1.78 0.02 1 357 40 40 VAL HG1 H 0.64 0.02 2 358 40 40 VAL HG2 H 0.205 0.02 2 359 40 40 VAL C C 173.4 0.2 1 360 40 40 VAL CA C 61.4 . 1 361 40 40 VAL CB C 35.3 0.2 1 362 40 40 VAL CG1 C 21.5 0.2 2 363 40 40 VAL CG2 C 20.9 0.2 2 364 40 40 VAL N N 124.8 0.2 1 365 41 41 ILE H H 8.71 0.02 1 366 41 41 ILE HA H 5.07 0.02 1 367 41 41 ILE HB H 2.05 0.02 1 368 41 41 ILE HD1 H 0.59 0.02 1 369 41 41 ILE HG12 H 1.34 0.02 2 370 41 41 ILE HG13 H 1.19 0.02 2 371 41 41 ILE HG2 H 0.64 0.02 1 372 41 41 ILE CA C 57.5 0.2 1 373 41 41 ILE CB C 37.1 0.2 1 374 41 41 ILE CD1 C 9.5 0.2 1 375 41 41 ILE CG1 C 26.0 0.2 1 376 41 41 ILE CG2 C 16.8 0.2 1 377 41 41 ILE N N 127.7 0.2 1 378 42 42 SER H H 8.43 0.02 1 379 42 42 SER HA H 5.03 0.02 1 380 42 42 SER HB2 H 3.33 0.02 2 381 42 42 SER HB3 H 2.42 0.02 2 382 42 42 SER C C 175.8 0.2 1 383 42 42 SER CA C 56.0 0.2 1 384 42 42 SER CB C 65.4 0.2 1 385 42 42 SER N N 116.7 0.2 1 386 43 43 SER H H 9.68 0.02 1 387 43 43 SER HA H 4.67 0.02 1 388 43 43 SER HB2 H 4.02 0.02 2 389 43 43 SER HB3 H 4.02 0.02 2 390 43 43 SER C C 177.1 0.2 1 391 43 43 SER CA C 61.1 0.2 1 392 43 43 SER CB C 62.7 0.2 1 393 43 43 SER N N 127.6 0.2 1 394 44 44 GLN H H 8.86 0.02 1 395 44 44 GLN HA H 4.16 0.02 1 396 44 44 GLN HB2 H 1.51 0.02 2 397 44 44 GLN HB3 H 1.51 0.02 2 398 44 44 GLN HE21 H 7.85 0.02 2 399 44 44 GLN HE22 H 6.71 0.02 2 400 44 44 GLN HG2 H 2.36 0.02 2 401 44 44 GLN HG3 H 2.23 0.02 2 402 44 44 GLN C C 176.4 0.2 1 403 44 44 GLN CA C 58.1 0.2 1 404 44 44 GLN CB C 29.0 0.2 1 405 44 44 GLN CG C 35.0 0.2 1 406 44 44 GLN N N 121.3 0.2 1 407 44 44 GLN NE2 N 114.3 0.2 1 408 45 45 PHE H H 7.12 0.02 1 409 45 45 PHE HB2 H 3.36 0.02 2 410 45 45 PHE HB3 H 3.17 0.02 2 411 45 45 PHE HD1 H 7.42 0.02 3 412 45 45 PHE HD2 H 7.42 0.02 3 413 45 45 PHE HE1 H 7.44 0.02 3 414 45 45 PHE HE2 H 7.44 0.02 3 415 45 45 PHE HZ H 6.58 0.02 1 416 45 45 PHE C C 175.9 0.2 1 417 45 45 PHE CA C 54.4 0.2 1 418 45 45 PHE CB C 37.8 0.2 1 419 45 45 PHE CD1 C 129.9 0.2 3 420 45 45 PHE CD2 C 129.9 0.2 3 421 45 45 PHE CE1 C 132.0 0.2 3 422 45 45 PHE CE2 C 132.0 0.2 3 423 45 45 PHE CZ C 129.5 0.2 1 424 45 45 PHE N N 114.3 0.2 1 425 46 46 GLN H H 7.43 0.02 1 426 46 46 GLN HA H 4.23 0.02 1 427 46 46 GLN HB2 H 2.19 0.02 2 428 46 46 GLN HB3 H 2.19 0.02 2 429 46 46 GLN HG2 H 2.58 0.02 2 430 46 46 GLN HG3 H 2.54 0.02 2 431 46 46 GLN C C 177.2 0.2 1 432 46 46 GLN CA C 57.9 0.2 1 433 46 46 GLN CB C 28.4 0.2 1 434 46 46 GLN CG C 33.5 0.2 1 435 46 46 GLN N N 121.3 0.2 1 436 47 47 GLY H H 9.05 0.02 1 437 47 47 GLY HA2 H 4.16 0.02 2 438 47 47 GLY HA3 H 3.79 0.02 2 439 47 47 GLY C C 173.8 0.2 1 440 47 47 GLY CA C 45.8 0.2 1 441 47 47 GLY N N 113.8 0.2 1 442 48 48 LYS H H 7.68 0.02 1 443 48 48 LYS HB2 H 1.98 0.02 2 444 48 48 LYS HB3 H 1.82 0.02 2 445 48 48 LYS HD2 H 1.71 0.02 2 446 48 48 LYS HD3 H 1.71 0.02 2 447 48 48 LYS HE2 H 3.17 0.02 2 448 48 48 LYS HE3 H 3.17 0.02 2 449 48 48 LYS HG2 H 1.56 0.02 2 450 48 48 LYS HG3 H 1.44 0.02 2 451 48 48 LYS C C 177.0 0.2 1 452 48 48 LYS CB C 34.6 0.2 1 453 48 48 LYS CD C 29.1 0.2 1 454 48 48 LYS CE C 42.8 0.2 1 455 48 48 LYS CG C 25.4 0.2 1 456 48 48 LYS N N 118.6 0.2 1 457 49 49 SER H H 9.35 0.02 1 458 49 49 SER HA H 4.40 0.02 1 459 49 49 SER HB2 H 4.32 0.02 2 460 49 49 SER HB3 H 4.07 0.02 2 461 49 49 SER C C 174.5 0.2 1 462 49 49 SER CA C 57.3 0.2 1 463 49 49 SER CB C 64.7 0.2 1 464 49 49 SER N N 121.3 0.2 1 465 50 50 LYS H H 8.89 0.02 1 466 50 50 LYS HA H 3.47 0.02 1 467 50 50 LYS HB2 H 1.81 0.02 2 468 50 50 LYS HB3 H 1.55 0.02 2 469 50 50 LYS HD2 H 1.61 0.02 2 470 50 50 LYS HD3 H 1.55 0.02 2 471 50 50 LYS HE2 H 2.92 0.02 2 472 50 50 LYS HE3 H 2.92 0.02 2 473 50 50 LYS HG2 H 1.26 0.02 2 474 50 50 LYS HG3 H 0.94 0.02 2 475 50 50 LYS C C 177.7 0.2 1 476 50 50 LYS CA C 59.9 0.2 1 477 50 50 LYS CB C 31.2 0.2 1 478 50 50 LYS CD C 28.6 0.2 1 479 50 50 LYS CE C 41.7 0.2 1 480 50 50 LYS CG C 24.0 0.2 1 481 50 50 LYS N N 122.4 0.2 1 482 51 51 LEU H H 7.98 0.02 1 483 51 51 LEU HA H 3.93 0.02 1 484 51 51 LEU HB2 H 1.54 0.02 2 485 51 51 LEU HB3 H 1.54 0.02 2 486 51 51 LEU HD1 H 0.86 0.02 2 487 51 51 LEU HD2 H 0.86 0.02 2 488 51 51 LEU CA C 58.0 0.2 1 489 51 51 LEU CB C 41.9 0.2 1 490 51 51 LEU CD1 C 24.3 0.2 2 491 51 51 LEU CD2 C 24.3 0.2 2 492 51 51 LEU N N 117.2 0.2 1 493 52 52 GLU H H 7.65 0.02 1 494 52 52 GLU HA H 3.96 0.02 1 495 52 52 GLU HB2 H 2.32 0.02 2 496 52 52 GLU HB3 H 1.98 0.02 2 497 52 52 GLU HG2 H 2.39 0.02 2 498 52 52 GLU HG3 H 2.31 0.02 2 499 52 52 GLU CA C 59.1 0.2 1 500 52 52 GLU CB C 30.1 0.2 1 501 52 52 GLU CG C 37.0 0.2 1 502 52 52 GLU N N 119.1 0.2 1 503 53 53 GLN H H 8.42 0.02 1 504 53 53 GLN HA H 3.82 0.02 1 505 53 53 GLN HB2 H 1.99 0.02 2 506 53 53 GLN HB3 H 0.89 0.02 2 507 53 53 GLN HG2 H 2.62 0.02 2 508 53 53 GLN HG3 H 1.74 0.02 2 509 53 53 GLN C C 177.9 0.2 1 510 53 53 GLN CA C 58.6 0.2 1 511 53 53 GLN CB C 27.2 0.2 1 512 53 53 GLN CG C 33.2 0.2 1 513 53 53 GLN N N 119.2 0.2 1 514 54 54 HIS H H 8.36 0.02 1 515 54 54 HIS HA H 3.91 0.02 1 516 54 54 HIS HB2 H 3.17 0.02 2 517 54 54 HIS HB3 H 2.91 0.02 2 518 54 54 HIS HE1 H 7.67 0.02 1 519 54 54 HIS CA C 59.7 0.2 1 520 54 54 HIS CB C 30.2 0.2 1 521 54 54 HIS CE1 C 137.8 0.2 1 522 54 54 HIS N N 116.9 0.2 1 523 55 55 ARG H H 8.42 0.02 1 524 55 55 ARG HA H 4.12 0.02 1 525 55 55 ARG HB2 H 2.03 0.02 2 526 55 55 ARG HB3 H 2.03 0.02 2 527 55 55 ARG HD2 H 3.22 0.02 2 528 55 55 ARG HD3 H 3.22 0.02 2 529 55 55 ARG HG2 H 1.95 0.02 2 530 55 55 ARG HG3 H 1.77 0.02 2 531 55 55 ARG C C 179.0 0.2 1 532 55 55 ARG CA C 60.2 0.2 1 533 55 55 ARG CB C 30.0 0.2 1 534 55 55 ARG CD C 43.6 0.2 1 535 55 55 ARG CG C 27.8 0.2 1 536 55 55 ARG N N 119.2 0.2 1 537 56 56 MET H H 7.93 0.02 1 538 56 56 MET HA H 4.13 0.02 1 539 56 56 MET HB2 H 2.79 0.02 2 540 56 56 MET HB3 H 2.58 0.02 2 541 56 56 MET HE H 2.23 0.02 1 542 56 56 MET HG2 H 3.11 0.02 2 543 56 56 MET HG3 H 2.77 0.02 2 544 56 56 MET C C 178.7 0.2 1 545 56 56 MET CA C 59.8 0.2 1 546 56 56 MET CB C 34.2 0.2 1 547 56 56 MET CE C 16.6 0.2 1 548 56 56 MET CG C 32.4 0.2 1 549 56 56 MET N N 117.8 0.2 1 550 57 57 ILE H H 7.44 0.02 1 551 57 57 ILE HA H 4.00 0.02 1 552 57 57 ILE HB H 2.04 0.02 1 553 57 57 ILE HD1 H 0.36 0.02 1 554 57 57 ILE HG12 H 1.51 0.02 2 555 57 57 ILE HG13 H 1.23 0.02 2 556 57 57 ILE HG2 H 0.63 0.02 1 557 57 57 ILE C C 177.8 0.2 1 558 57 57 ILE CA C 62.6 0.2 1 559 57 57 ILE CB C 35.6 0.2 1 560 57 57 ILE CD1 C 13.5 0.2 1 561 57 57 ILE CG1 C 27.7 0.2 1 562 57 57 ILE CG2 C 17.4 0.2 1 563 57 57 ILE N N 118.2 0.2 1 564 58 58 TYR H H 8.81 0.02 1 565 58 58 TYR HA H 4.14 0.02 1 566 58 58 TYR HB2 H 3.19 0.02 2 567 58 58 TYR HB3 H 2.97 0.02 2 568 58 58 TYR HD1 H 7.06 0.02 3 569 58 58 TYR HD2 H 7.06 0.02 3 570 58 58 TYR HE1 H 6.78 0.02 3 571 58 58 TYR HE2 H 6.78 0.02 3 572 58 58 TYR C C 178.8 0.2 1 573 58 58 TYR CA C 61.8 0.2 1 574 58 58 TYR CB C 37.0 0.2 1 575 58 58 TYR CD1 C 132.4 0.2 3 576 58 58 TYR CD2 C 132.4 0.2 3 577 58 58 TYR CE1 C 118.3 0.2 3 578 58 58 TYR CE2 C 118.3 0.2 3 579 58 58 TYR N N 119.5 0.2 1 580 59 59 LYS H H 8.03 0.02 1 581 59 59 LYS HA H 4.20 0.02 1 582 59 59 LYS HB2 H 2.00 0.02 2 583 59 59 LYS HB3 H 2.00 0.02 2 584 59 59 LYS HD2 H 1.80 0.02 2 585 59 59 LYS HD3 H 1.74 0.02 2 586 59 59 LYS HE2 H 3.02 0.02 2 587 59 59 LYS HE3 H 3.02 0.02 2 588 59 59 LYS HG2 H 1.59 0.02 2 589 59 59 LYS HG3 H 1.54 0.02 2 590 59 59 LYS C C 179.0 0.2 1 591 59 59 LYS CA C 59.2 0.2 1 592 59 59 LYS CB C 32.1 0.2 1 593 59 59 LYS CD C 29.0 0.2 1 594 59 59 LYS CG C 24.8 0.2 1 595 59 59 LYS N N 117.9 0.2 1 596 60 60 VAL H H 7.30 0.02 1 597 60 60 VAL HA H 3.88 0.02 1 598 60 60 VAL HB H 2.38 0.02 1 599 60 60 VAL HG1 H 1.18 0.02 2 600 60 60 VAL HG2 H 0.94 0.02 2 601 60 60 VAL C C 176.6 0.2 1 602 60 60 VAL CA C 64.6 0.2 1 603 60 60 VAL CB C 31.9 0.2 1 604 60 60 VAL CG1 C 22.7 0.2 2 605 60 60 VAL CG2 C 22.1 0.2 2 606 60 60 VAL N N 117.9 0.2 1 607 61 61 LEU H H 7.41 0.02 1 608 61 61 LEU HA H 4.22 0.02 1 609 61 61 LEU HB2 H 1.76 0.02 2 610 61 61 LEU HB3 H 1.69 0.02 2 611 61 61 LEU HD1 H 0.61 0.02 2 612 61 61 LEU HD2 H 0.61 0.02 2 613 61 61 LEU HG H 1.85 0.02 1 614 61 61 LEU CA C 54.1 0.2 1 615 61 61 LEU CB C 41.1 0.2 1 616 61 61 LEU CD1 C 22.5 0.2 2 617 61 61 LEU CD2 C 22.5 0.2 2 618 61 61 LEU CG C 25.9 0.2 1 619 61 61 LEU N N 116.2 0.2 1 620 62 62 ASP H H 7.32 0.02 1 621 62 62 ASP HA H 4.39 0.02 1 622 62 62 ASP HB2 H 2.87 0.02 2 623 62 62 ASP HB3 H 2.64 0.02 2 624 62 62 ASP C C 177.2 0.2 1 625 62 62 ASP CA C 56.8 0.2 1 626 62 62 ASP CB C 41.5 0.2 1 627 62 62 ASP N N 120.2 0.2 1 628 63 63 GLY H H 8.71 0.02 1 629 63 63 GLY HA2 H 4.25 0.02 2 630 63 63 GLY HA3 H 3.77 0.02 2 631 63 63 GLY CA C 45.3 0.2 1 632 63 63 GLY N N 113.0 0.2 1 633 64 64 LEU H H 7.86 0.02 1 634 64 64 LEU HA H 4.59 0.02 1 635 64 64 LEU HB2 H 1.86 0.02 2 636 64 64 LEU HB3 H 1.86 0.02 2 637 64 64 LEU CA C 54.2 0.2 1 638 64 64 LEU CB C 42.8 0.2 1 639 64 64 LEU N N 119.2 0.2 1 640 70 70 GLN C C 174.2 0.2 1 641 70 70 GLN CA C 54.9 0.2 1 642 70 70 GLN CB C 31.0 0.2 1 643 70 70 GLN CG C 34.0 0.2 1 644 71 71 ILE H H 8.58 0.02 1 645 71 71 ILE HA H 4.71 0.02 1 646 71 71 ILE HB H 1.22 0.02 1 647 71 71 ILE HD1 H 0.56 0.02 1 648 71 71 ILE HG12 H 1.25 0.02 2 649 71 71 ILE HG13 H 0.57 0.02 2 650 71 71 ILE HG2 H 0.20 0.02 1 651 71 71 ILE C C 174.4 0.2 1 652 71 71 ILE CA C 60.2 0.2 1 653 71 71 ILE CB C 41.0 0.2 1 654 71 71 ILE CD1 C 11.3 0.2 1 655 71 71 ILE CG1 C 27.8 0.2 1 656 71 71 ILE CG2 C 18.0 0.2 1 657 71 71 ILE N N 124.8 0.2 1 658 72 72 GLN H H 8.67 0.02 1 659 72 72 GLN HA H 4.79 0.02 1 660 72 72 GLN HB2 H 1.95 0.02 2 661 72 72 GLN HB3 H 1.89 0.02 2 662 72 72 GLN HE21 H 7.45 0.02 2 663 72 72 GLN HE22 H 6.86 0.02 2 664 72 72 GLN HG2 H 2.38 0.02 2 665 72 72 GLN HG3 H 2.21 0.02 2 666 72 72 GLN C C 173.9 0.2 1 667 72 72 GLN CA C 54.8 0.2 1 668 72 72 GLN CB C 31.9 0.2 1 669 72 72 GLN CG C 33.8 0.2 1 670 72 72 GLN N N 126.2 0.2 1 671 72 72 GLN NE2 N 110.3 0.2 1 672 73 73 THR H H 8.72 0.02 1 673 73 73 THR HA H 5.51 0.02 1 674 73 73 THR HB H 3.61 0.02 1 675 73 73 THR HG2 H 0.60 0.02 1 676 73 73 THR C C 175.1 0.2 1 677 73 73 THR CA C 59.0 0.2 1 678 73 73 THR CB C 71.0 0.2 1 679 73 73 THR CG2 C 23.0 0.2 1 680 73 73 THR N N 114.8 0.2 1 681 74 74 GLY H H 7.99 0.02 1 682 74 74 GLY HA2 H 4.33 0.02 2 683 74 74 GLY HA3 H 4.14 0.02 2 684 74 74 GLY C C 171.2 0.2 1 685 74 74 GLY CA C 44.9 0.2 1 686 74 74 GLY N N 106.0 0.2 1 687 75 75 CYS H H 8.79 0.02 1 688 75 75 CYS HA H 5.10 0.02 1 689 75 75 CYS HB2 H 2.92 0.02 2 690 75 75 CYS HB3 H 2.92 0.02 2 691 75 75 CYS C C 173.8 0.2 1 692 75 75 CYS CA C 57.6 0.2 1 693 75 75 CYS CB C 29.8 0.2 1 694 75 75 CYS N N 117.7 0.2 1 695 76 76 LYS H H 7.28 0.02 1 696 76 76 LYS HA H 4.06 0.02 1 697 76 76 LYS HB2 H 1.73 0.02 2 698 76 76 LYS HB3 H 1.73 0.02 2 699 76 76 LYS HD2 H 0.65 0.02 2 700 76 76 LYS HD3 H 0.65 0.02 2 701 76 76 LYS HG2 H 1.25 0.02 2 702 76 76 LYS HG3 H 1.25 0.02 2 703 76 76 LYS CA C 57.7 0.2 1 704 76 76 LYS CB C 33.8 0.2 1 705 76 76 LYS CD C 26.0 0.2 1 706 76 76 LYS CG C 24.8 0.2 1 707 76 76 LYS N N 125.9 0.2 1 stop_ save_