data_30421 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Solution structure of the Burkholderia thailandensis transcription antitermination protein NusB (BTH_I1529) - Seattle Structural Genomics Center for Infectious Disease target ButhA.17903.a ; _BMRB_accession_number 30421 _BMRB_flat_file_name bmr30421.str _Entry_type original _Submission_date 2018-02-28 _Accession_date 2018-02-28 _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 G. W. . 2 'Seattle Structural Genomics Center for Infectious Disease' SSGCID . . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 661 "13C chemical shifts" 543 "15N chemical shifts" 147 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2018-03-29 original BMRB . stop_ _Original_release_date 2018-03-27 save_ ############################# # Citation for this entry # ############################# save_citation_1 _Saveframe_category entry_citation _Citation_full . _Citation_title ; Solution structure of the Burkholderia thailandensis transcription antitermination protein NusB (BTH_I1529). ; _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 G. W. . 2 SSGCID SSGCID . . stop_ _Journal_abbreviation . _Journal_volume . _Journal_issue . _Journal_CSD 0353 _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 'Transcription antitermination protein NusB' _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label entity_1 $entity_1 stop_ _System_molecular_weight . _System_oligomer_state ? _System_paramagnetic no _System_thiol_state . _Database_query_date . _Details . save_ ######################## # Monomeric polymers # ######################## save_entity_1 _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common entity_1 _Molecular_mass 16301.551 _Mol_thiol_state 'not present' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 149 _Mol_residue_sequence ; GPGSMKKSARRQSRELATQG LYQWLLSNAAPGEIDAQLRG ALGYDKADKTLLDTILHGVI REHATLAEAISPSLDRPIDQ LSPVERAVLLIATYELTHQI ETPYRVIINEAVELAKTFGG SDGYKYVNGVLDKLAVKLRP AETQARRGA ; loop_ _Residue_seq_code _Residue_label 1 GLY 2 PRO 3 GLY 4 SER 5 MET 6 LYS 7 LYS 8 SER 9 ALA 10 ARG 11 ARG 12 GLN 13 SER 14 ARG 15 GLU 16 LEU 17 ALA 18 THR 19 GLN 20 GLY 21 LEU 22 TYR 23 GLN 24 TRP 25 LEU 26 LEU 27 SER 28 ASN 29 ALA 30 ALA 31 PRO 32 GLY 33 GLU 34 ILE 35 ASP 36 ALA 37 GLN 38 LEU 39 ARG 40 GLY 41 ALA 42 LEU 43 GLY 44 TYR 45 ASP 46 LYS 47 ALA 48 ASP 49 LYS 50 THR 51 LEU 52 LEU 53 ASP 54 THR 55 ILE 56 LEU 57 HIS 58 GLY 59 VAL 60 ILE 61 ARG 62 GLU 63 HIS 64 ALA 65 THR 66 LEU 67 ALA 68 GLU 69 ALA 70 ILE 71 SER 72 PRO 73 SER 74 LEU 75 ASP 76 ARG 77 PRO 78 ILE 79 ASP 80 GLN 81 LEU 82 SER 83 PRO 84 VAL 85 GLU 86 ARG 87 ALA 88 VAL 89 LEU 90 LEU 91 ILE 92 ALA 93 THR 94 TYR 95 GLU 96 LEU 97 THR 98 HIS 99 GLN 100 ILE 101 GLU 102 THR 103 PRO 104 TYR 105 ARG 106 VAL 107 ILE 108 ILE 109 ASN 110 GLU 111 ALA 112 VAL 113 GLU 114 LEU 115 ALA 116 LYS 117 THR 118 PHE 119 GLY 120 GLY 121 SER 122 ASP 123 GLY 124 TYR 125 LYS 126 TYR 127 VAL 128 ASN 129 GLY 130 VAL 131 LEU 132 ASP 133 LYS 134 LEU 135 ALA 136 VAL 137 LYS 138 LEU 139 ARG 140 PRO 141 ALA 142 GLU 143 THR 144 GLN 145 ALA 146 ARG 147 ARG 148 GLY 149 ALA stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date . 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_1 'Burkholderia thailandensis' 271848 Bacteria . Burkholderia thailandensis 'ATCC 700388 / DSM 13276 / CIP 106301 / E264' 'nusB, BTH_I1529' 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_1 'recombinant technology' . Escherichia coli . . stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Saveframe_category sample _Sample_type solution _Details '1 mM [U-99% 13C; U-99% 15N] NusB, 100 mM sodium chloride, 20 mM TRIS, 1 mM DTT, 93% H2O/7% D2O' loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $entity_1 1 mM '[U-99% 13C; U-99% 15N]' 'sodium chloride' 100 mM 'natural abundance' TRIS 20 mM 'natural abundance' DTT 1 mM 'natural abundance' stop_ save_ ############################ # Computer software used # ############################ save_software_1 _Saveframe_category software _Name SPARKY _Version 3.13 loop_ _Vendor _Address _Electronic_address Goddard . . stop_ loop_ _Task 'data analysis' stop_ _Details . save_ save_software_2 _Saveframe_category software _Name CYANA _Version 2.1 loop_ _Vendor _Address _Electronic_address 'Guntert, Mumenthaler and Wuthrich' . . stop_ loop_ _Task 'structure calculation' stop_ _Details . save_ save_software_3 _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_software_4 _Saveframe_category software _Name PSVS _Version 1.5 loop_ _Vendor _Address _Electronic_address 'Bhattacharya and Montelione' . . stop_ loop_ _Task 'peak picking' stop_ _Details . save_ save_software_5 _Saveframe_category software _Name Felix _Version 2007 loop_ _Vendor _Address _Electronic_address 'Accelrys Software Inc.' . . stop_ loop_ _Task processing stop_ _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_NMR_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Varian _Model VXRS _Field_strength 600 _Details . save_ save_NMR_spectrometer_2 _Saveframe_category NMR_spectrometer _Manufacturer Agilent _Model VXRS _Field_strength 750 _Details . save_ save_NMR_spectrometer_3 _Saveframe_category NMR_spectrometer _Manufacturer Agilent _Model VXRS _Field_strength 800 _Details . save_ ############################# # NMR applied experiments # ############################# save_2D_1H-15N_HSQC_1 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-15N HSQC' _Sample_label $sample_1 save_ save_2D_1H-13C_HSQC_aliphatic_2 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-13C HSQC aliphatic' _Sample_label $sample_1 save_ save_2D_1H-13C_HSQC_aromatic_3 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-13C HSQC aromatic' _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_HNCACB_5 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCACB' _Sample_label $sample_1 save_ save_2D_Deltas_6 _Saveframe_category NMR_applied_experiment _Experiment_name '2D Deltas' _Sample_label $sample_1 save_ save_deuterium_exchange_7 _Saveframe_category NMR_applied_experiment _Experiment_name 'deuterium exchange' _Sample_label $sample_1 save_ save_3D_1H-13C_NOESY_aromatic_8 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-13C NOESY aromatic' _Sample_label $sample_1 save_ save_3D_1H-13C_NOESY_aliphatic_9 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-13C NOESY aliphatic' _Sample_label $sample_1 save_ save_3D_1H-15N_NOESY_10 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-15N NOESY' _Sample_label $sample_1 save_ save_3D_C(CO)NH_11 _Saveframe_category NMR_applied_experiment _Experiment_name '3D C(CO)NH' _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 'ionic strength' 0.12 . M pH 7 0.1 pH pressure 1 . atm temperature 293 0.4 K stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chem_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 0.000 internal indirect . . . 0.25144953 DSS H 1 'methyl protons' ppm 0.000 internal direct . . . 1.0 DSS N 15 'methyl protons' ppm 0.000 internal indirect . . . 0.10132912 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_chemical_shifts_1 _Saveframe_category assigned_chemical_shifts _Details . loop_ _Experiment_label '2D 1H-15N HSQC' '2D 1H-13C HSQC aliphatic' '2D 1H-13C HSQC aromatic' '3D HNCO' '3D HNCACB' '2D Deltas' 'deuterium exchange' '3D 1H-13C NOESY aromatic' '3D 1H-13C NOESY aliphatic' '3D 1H-15N NOESY' '3D C(CO)NH' stop_ loop_ _Sample_label $sample_1 stop_ _Sample_conditions_label $sample_conditions_1 _Chem_shift_reference_set_label $chem_shift_reference_1 _Mol_system_component_name entity_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 2 2 PRO C C 177.5 0.2 1 2 2 2 PRO CA C 64.6 0.2 1 3 2 2 PRO CB C 33.2 0.2 1 4 2 2 PRO CG C 28.1 0.2 1 5 2 2 PRO CD C 50.6 0.2 1 6 3 3 GLY H H 8.66 0.2 1 7 3 3 GLY C C 174.3 0.2 1 8 3 3 GLY CA C 46.3 0.2 1 9 3 3 GLY N N 109.7 0.2 1 10 4 4 SER H H 8.20 0.2 1 11 4 4 SER C C 174.7 0.2 1 12 4 4 SER CA C 59.5 0.2 1 13 4 4 SER CB C 64.6 0.2 1 14 4 4 SER N N 115.4 0.2 1 15 5 5 MET H H 8.43 0.2 1 16 5 5 MET C C 176.2 0.2 1 17 5 5 MET CA C 56.7 0.2 1 18 5 5 MET CB C 33.8 0.2 1 19 5 5 MET CG C 32.9 0.2 1 20 5 5 MET N N 122.3 0.2 1 21 6 6 LYS H H 8.31 0.2 1 22 6 6 LYS C C 176.4 0.2 1 23 6 6 LYS CA C 57.6 0.2 1 24 6 6 LYS CB C 33.9 0.2 1 25 6 6 LYS CG C 30.0 0.2 1 26 6 6 LYS CD C 25.8 0.2 1 27 6 6 LYS CE C 43.1 0.2 1 28 6 6 LYS N N 122.9 0.2 1 29 7 7 LYS H H 8.36 0.02 1 30 7 7 LYS HA H 4.28 0.02 1 31 7 7 LYS HB2 H 1.74 0.02 2 32 7 7 LYS HB3 H 1.68 0.02 2 33 7 7 LYS C C 176.9 0.2 1 34 7 7 LYS CA C 56.5 0.2 1 35 7 7 LYS CB C 33.5 0.2 1 36 7 7 LYS CG C 30.2 0.2 1 37 7 7 LYS CD C 26.2 0.2 1 38 7 7 LYS CE C 43.2 0.2 1 39 7 7 LYS N N 123.4 0.2 1 40 8 8 SER H H 8.84 0.02 1 41 8 8 SER HB2 H 4.35 0.02 2 42 8 8 SER HB3 H 4.06 0.02 2 43 8 8 SER C C 174.8 0.2 1 44 8 8 SER CA C 59.2 0.2 1 45 8 8 SER CB C 64.3 0.2 1 46 8 8 SER N N 120.9 0.2 1 47 9 9 ALA H H 8.78 0.02 1 48 9 9 ALA HB H 1.53 0.02 1 49 9 9 ALA C C 180.9 0.2 1 50 9 9 ALA CA C 56.5 0.2 1 51 9 9 ALA CB C 18.7 0.2 1 52 9 9 ALA N N 125.7 0.2 1 53 10 10 ARG H H 8.24 0.02 1 54 10 10 ARG C C 178.1 0.2 1 55 10 10 ARG CA C 60.9 0.2 1 56 10 10 ARG CB C 31.1 0.2 1 57 10 10 ARG CD C 42.2 0.2 1 58 10 10 ARG N N 117.0 0.2 1 59 11 11 ARG H H 8.12 0.02 1 60 11 11 ARG C C 179.0 0.2 1 61 11 11 ARG N N 121.7 0.2 1 62 12 12 GLN H H 8.37 0.02 1 63 12 12 GLN HA H 4.11 0.02 1 64 12 12 GLN HB2 H 2.26 0.02 2 65 12 12 GLN HB3 H 2.13 0.02 2 66 12 12 GLN HG2 H 2.36 0.02 2 67 12 12 GLN HG3 H 2.12 0.02 2 68 12 12 GLN HE21 H 7.21 0.02 2 69 12 12 GLN HE22 H 6.78 0.02 2 70 12 12 GLN C C 179.4 0.2 1 71 12 12 GLN CA C 59.0 0.2 1 72 12 12 GLN CB C 28.2 0.2 1 73 12 12 GLN CG C 34.4 0.2 1 74 12 12 GLN N N 118.3 0.2 1 75 12 12 GLN NE2 N 112.1 0.2 1 76 13 13 SER H H 8.61 0.02 1 77 13 13 SER C C 175.2 0.2 1 78 13 13 SER CA C 62.3 0.2 1 79 13 13 SER CB C 65.1 0.2 1 80 13 13 SER N N 115.9 0.2 1 81 14 14 ARG H H 8.18 0.02 1 82 14 14 ARG C C 174.7 0.2 1 83 14 14 ARG CA C 62.0 0.2 1 84 14 14 ARG CB C 31.7 0.2 1 85 14 14 ARG N N 121.1 0.2 1 86 15 15 GLU H H 8.82 0.02 1 87 15 15 GLU HA H 4.03 0.02 1 88 15 15 GLU C C 179.2 0.2 1 89 15 15 GLU CA C 60.8 0.2 1 90 15 15 GLU N N 121.9 0.2 1 91 16 16 LEU H H 8.35 0.02 1 92 16 16 LEU HA H 3.96 0.02 1 93 16 16 LEU HB2 H 3.44 0.02 2 94 16 16 LEU HB3 H 3.44 0.02 2 95 16 16 LEU C C 178.4 0.2 1 96 16 16 LEU CA C 57.9 0.2 1 97 16 16 LEU CB C 42.5 0.2 1 98 16 16 LEU CG C 28.4 0.2 1 99 16 16 LEU N N 120.1 0.2 1 100 17 17 ALA H H 8.77 0.02 1 101 17 17 ALA HA H 3.83 0.02 1 102 17 17 ALA HB H 1.34 0.02 1 103 17 17 ALA C C 178.7 0.2 1 104 17 17 ALA CA C 55.3 0.2 1 105 17 17 ALA CB C 17.3 0.2 1 106 17 17 ALA N N 121.1 0.2 1 107 18 18 THR H H 7.90 0.02 1 108 18 18 THR HA H 3.52 0.02 1 109 18 18 THR HB H 4.11 0.02 1 110 18 18 THR HG2 H 0.67 0.02 1 111 18 18 THR C C 175.3 0.2 1 112 18 18 THR CA C 68.4 0.2 1 113 18 18 THR CB C 67.4 0.2 1 114 18 18 THR CG2 C 20.7 0.2 1 115 18 18 THR N N 115.7 0.2 1 116 19 19 GLN H H 7.64 0.02 1 117 19 19 GLN HA H 3.81 0.02 1 118 19 19 GLN HG2 H 2.35 0.02 2 119 19 19 GLN HG3 H 2.22 0.02 2 120 19 19 GLN C C 179.0 0.2 1 121 19 19 GLN CA C 59.2 0.2 1 122 19 19 GLN CB C 29.5 0.2 1 123 19 19 GLN CG C 34.3 0.2 1 124 19 19 GLN N N 120.3 0.2 1 125 20 20 GLY H H 8.99 0.02 1 126 20 20 GLY HA2 H 3.92 0.02 2 127 20 20 GLY HA3 H 3.45 0.02 2 128 20 20 GLY C C 179.2 0.2 1 129 20 20 GLY CA C 47.6 0.2 1 130 20 20 GLY N N 107.2 0.2 1 131 21 21 LEU H H 8.83 0.02 1 132 21 21 LEU HA H 4.37 0.02 1 133 21 21 LEU HD2 H 0.71 0.02 2 134 21 21 LEU C C 178.4 0.2 1 135 21 21 LEU CA C 57.5 0.2 1 136 21 21 LEU CB C 43.3 0.2 1 137 21 21 LEU CG C 28.4 0.2 1 138 21 21 LEU CD1 C 27.0 0.2 2 139 21 21 LEU CD2 C 23.6 0.2 2 140 21 21 LEU N N 122.0 0.2 1 141 22 22 TYR H H 8.78 0.02 1 142 22 22 TYR HA H 4.07 0.02 1 143 22 22 TYR HB2 H 3.35 0.02 2 144 22 22 TYR HB3 H 2.93 0.02 2 145 22 22 TYR HD1 H 6.91 0.02 3 146 22 22 TYR HD2 H 6.91 0.02 3 147 22 22 TYR HE1 H 6.81 0.02 3 148 22 22 TYR HE2 H 6.81 0.02 3 149 22 22 TYR C C 176.2 0.2 1 150 22 22 TYR CA C 61.7 0.2 1 151 22 22 TYR CB C 38.2 0.2 1 152 22 22 TYR CD1 C 133.2 0.2 3 153 22 22 TYR CD2 C 133.2 0.2 3 154 22 22 TYR CE1 C 118.7 0.2 3 155 22 22 TYR CE2 C 118.7 0.2 3 156 22 22 TYR N N 120.8 0.2 1 157 23 23 GLN H H 7.68 0.02 1 158 23 23 GLN HA H 3.96 0.02 1 159 23 23 GLN HB2 H 2.29 0.02 2 160 23 23 GLN HB3 H 2.23 0.02 2 161 23 23 GLN HG2 H 2.54 0.02 2 162 23 23 GLN HG3 H 2.49 0.02 2 163 23 23 GLN HE21 H 7.40 0.02 2 164 23 23 GLN HE22 H 6.78 0.02 2 165 23 23 GLN C C 179.6 0.2 1 166 23 23 GLN CA C 58.5 0.2 1 167 23 23 GLN CB C 28.1 0.2 1 168 23 23 GLN CG C 33.5 0.2 1 169 23 23 GLN N N 116.3 0.2 1 170 23 23 GLN NE2 N 110.2 0.2 1 171 24 24 TRP H H 8.78 0.02 1 172 24 24 TRP HA H 4.10 0.02 1 173 24 24 TRP HB2 H 3.68 0.02 2 174 24 24 TRP HB3 H 3.19 0.02 2 175 24 24 TRP HD1 H 7.59 0.02 1 176 24 24 TRP HE1 H 10.19 0.02 1 177 24 24 TRP HE3 H 7.38 0.02 1 178 24 24 TRP HZ2 H 7.27 0.02 1 179 24 24 TRP HZ3 H 6.42 0.02 1 180 24 24 TRP HH2 H 6.50 0.02 1 181 24 24 TRP CA C 62.5 0.2 1 182 24 24 TRP CB C 28.2 0.2 1 183 24 24 TRP CD1 C 127.1 0.2 1 184 24 24 TRP CE3 C 120.3 0.2 1 185 24 24 TRP CZ2 C 114.8 0.2 1 186 24 24 TRP CZ3 C 120.4 0.2 1 187 24 24 TRP CH2 C 123.4 0.2 1 188 24 24 TRP N N 123.6 0.2 1 189 24 24 TRP NE1 N 130.7 0.2 1 190 25 25 LEU H H 9.05 0.02 1 191 25 25 LEU HA H 3.46 0.02 1 192 25 25 LEU HB2 H 1.98 0.02 2 193 25 25 LEU HB3 H 1.12 0.02 2 194 25 25 LEU HG H 0.91 0.02 1 195 25 25 LEU HD1 H 0.62 0.02 2 196 25 25 LEU HD2 H 0.62 0.02 2 197 25 25 LEU C C 177.8 0.2 1 198 25 25 LEU CA C 57.3 0.2 1 199 25 25 LEU CB C 42.0 0.2 1 200 25 25 LEU CG C 27.2 0.2 1 201 25 25 LEU CD1 C 22.8 0.2 2 202 25 25 LEU CD2 C 22.8 0.2 2 203 25 25 LEU N N 120.1 0.2 1 204 26 26 LEU H H 7.58 0.02 1 205 26 26 LEU HA H 4.10 0.02 1 206 26 26 LEU HB2 H 1.53 0.02 2 207 26 26 LEU HB3 H 1.42 0.02 2 208 26 26 LEU HG H 1.46 0.02 1 209 26 26 LEU HD1 H 0.55 0.02 2 210 26 26 LEU HD2 H 0.69 0.02 2 211 26 26 LEU C C 178.4 0.2 1 212 26 26 LEU CA C 56.5 0.2 1 213 26 26 LEU CB C 42.6 0.2 1 214 26 26 LEU CG C 27.0 0.2 1 215 26 26 LEU CD1 C 24.5 0.2 2 216 26 26 LEU CD2 C 23.3 0.2 2 217 26 26 LEU N N 117.4 0.2 1 218 27 27 SER H H 8.02 0.02 1 219 27 27 SER HA H 4.54 0.02 1 220 27 27 SER HB2 H 3.95 0.02 2 221 27 27 SER HB3 H 3.80 0.02 2 222 27 27 SER C C 174.8 0.2 1 223 27 27 SER CA C 58.5 0.2 1 224 27 27 SER CB C 65.9 0.2 1 225 27 27 SER N N 111.5 0.2 1 226 28 28 ASN H H 8.68 0.02 1 227 28 28 ASN HA H 4.02 0.02 1 228 28 28 ASN HB2 H 3.01 0.02 2 229 28 28 ASN HB3 H 2.49 0.02 2 230 28 28 ASN HD21 H 7.36 0.02 2 231 28 28 ASN HD22 H 6.66 0.0 2 232 28 28 ASN C C 174.3 0.2 1 233 28 28 ASN CA C 54.1 0.2 1 234 28 28 ASN CB C 38.0 0.2 1 235 28 28 ASN N N 120.9 0.2 1 236 28 28 ASN ND2 N 111.7 0.2 1 237 29 29 ALA H H 7.13 0.02 1 238 29 29 ALA HA H 4.20 0.02 1 239 29 29 ALA HB H 1.32 0.02 1 240 29 29 ALA C C 175.9 0.2 1 241 29 29 ALA CA C 52.2 0.2 1 242 29 29 ALA CB C 19.8 0.2 1 243 29 29 ALA N N 119.4 0.2 1 244 30 30 ALA H H 8.47 0.02 1 245 30 30 ALA HA H 4.66 0.02 1 246 30 30 ALA HB H 1.52 0.02 1 247 30 30 ALA CA C 50.4 0.2 1 248 30 30 ALA CB C 17.7 0.2 1 249 30 30 ALA N N 122.4 0.2 1 250 31 31 PRO C C 178.0 0.2 1 251 31 31 PRO CA C 67.1 0.2 1 252 31 31 PRO CB C 32.7 0.2 1 253 31 31 PRO CG C 29.2 0.2 1 254 32 32 GLY H H 8.84 0.02 1 255 32 32 GLY HA2 H 3.94 0.02 2 256 32 32 GLY HA3 H 3.94 0.02 2 257 32 32 GLY C C 177.2 0.2 1 258 32 32 GLY CA C 46.8 0.2 1 259 32 32 GLY N N 102.9 0.2 1 260 33 33 GLU H H 7.50 0.02 1 261 33 33 GLU HA H 4.24 0.02 1 262 33 33 GLU HB2 H 2.35 0.02 2 263 33 33 GLU HB3 H 2.14 0.02 2 264 33 33 GLU HG2 H 2.31 0.02 2 265 33 33 GLU HG3 H 2.31 0.02 2 266 33 33 GLU C C 179.1 0.2 1 267 33 33 GLU CA C 58.4 0.2 1 268 33 33 GLU CB C 29.5 0.2 1 269 33 33 GLU CG C 36.5 0.2 1 270 33 33 GLU N N 122.0 0.2 1 271 34 34 ILE H H 7.65 0.02 1 272 34 34 ILE HA H 3.69 0.02 1 273 34 34 ILE HB H 2.04 0.02 1 274 34 34 ILE HG12 H 1.49 0.02 2 275 34 34 ILE HG13 H 1.27 0.02 2 276 34 34 ILE HG2 H 1.51 0.02 1 277 34 34 ILE HD1 H 0.83 0.02 1 278 34 34 ILE C C 178.2 0.2 1 279 34 34 ILE CA C 63.6 0.2 1 280 34 34 ILE CB C 36.7 0.2 1 281 34 34 ILE CG1 C 27.7 0.2 1 282 34 34 ILE CG2 C 18.1 0.2 1 283 34 34 ILE CD1 C 11.7 0.2 1 284 34 34 ILE N N 121.3 0.2 1 285 35 35 ASP H H 8.43 0.02 1 286 35 35 ASP HA H 4.15 0.02 1 287 35 35 ASP HB2 H 2.72 0.02 2 288 35 35 ASP HB3 H 2.72 0.02 2 289 35 35 ASP C C 178.2 0.2 1 290 35 35 ASP CA C 57.7 0.2 1 291 35 35 ASP CB C 41.1 0.2 1 292 35 35 ASP N N 118.7 0.2 1 293 36 36 ALA H H 7.41 0.02 1 294 36 36 ALA HA H 3.89 0.02 1 295 36 36 ALA HB H 0.90 0.02 1 296 36 36 ALA C C 180.4 0.2 1 297 36 36 ALA CA C 55.1 0.2 1 298 36 36 ALA CB C 18.7 0.2 1 299 36 36 ALA N N 118.8 0.2 1 300 37 37 GLN H H 7.81 0.02 1 301 37 37 GLN HA H 3.99 0.02 1 302 37 37 GLN HB2 H 2.25 0.02 2 303 37 37 GLN HB3 H 2.25 0.02 2 304 37 37 GLN HG2 H 2.54 0.02 2 305 37 37 GLN HG3 H 2.38 0.02 2 306 37 37 GLN HE21 H 7.40 0.02 2 307 37 37 GLN HE22 H 6.67 0.02 2 308 37 37 GLN C C 179.7 0.2 1 309 37 37 GLN CA C 58.3 0.2 1 310 37 37 GLN CB C 28.3 0.2 1 311 37 37 GLN CG C 33.7 0.2 1 312 37 37 GLN N N 118.3 0.2 1 313 37 37 GLN NE2 N 109.9 0.2 1 314 38 38 LEU H H 8.18 0.02 1 315 38 38 LEU HA H 4.02 0.02 1 316 38 38 LEU HB2 H 2.00 0.02 2 317 38 38 LEU HB3 H 2.00 0.02 2 318 38 38 LEU HD1 H 0.83 0.02 2 319 38 38 LEU HD2 H 0.83 0.02 2 320 38 38 LEU C C 177.8 0.2 1 321 38 38 LEU CA C 57.3 0.2 1 322 38 38 LEU CB C 41.5 0.2 1 323 38 38 LEU CD1 C 22.4 0.2 2 324 38 38 LEU CD2 C 22.4 0.2 2 325 38 38 LEU N N 119.7 0.2 1 326 39 39 ARG H H 7.25 0.02 1 327 39 39 ARG HA H 2.33 0.02 1 328 39 39 ARG HB2 H 1.49 0.02 2 329 39 39 ARG HB3 H 1.39 0.02 2 330 39 39 ARG HG2 H 1.56 0.02 2 331 39 39 ARG HG3 H 1.11 0.02 2 332 39 39 ARG HD2 H 3.08 0.02 2 333 39 39 ARG HD3 H 2.97 0.02 2 334 39 39 ARG C C 177.6 0.2 1 335 39 39 ARG CA C 57.8 0.2 1 336 39 39 ARG CB C 29.7 0.2 1 337 39 39 ARG CG C 28.2 0.2 1 338 39 39 ARG CD C 43.6 0.2 1 339 39 39 ARG N N 114.8 0.2 1 340 40 40 GLY H H 7.20 0.02 1 341 40 40 GLY HA2 H 4.25 0.02 2 342 40 40 GLY HA3 H 3.64 0.02 2 343 40 40 GLY C C 173.8 0.2 1 344 40 40 GLY CA C 44.4 0.2 1 345 40 40 GLY N N 104.0 0.2 1 346 41 41 ALA H H 7.74 0.02 1 347 41 41 ALA HA H 4.42 0.02 1 348 41 41 ALA HB H 1.57 0.02 1 349 41 41 ALA C C 178.8 0.2 1 350 41 41 ALA CA C 51.7 0.2 1 351 41 41 ALA CB C 20.1 0.2 1 352 41 41 ALA N N 124.4 0.2 1 353 42 42 LEU H H 8.74 0.02 1 354 42 42 LEU HG H 1.58 0.2 1 355 42 42 LEU HD1 H 0.77 0.02 2 356 42 42 LEU HD2 H 0.77 0.02 2 357 42 42 LEU C C 178.1 0.2 1 358 42 42 LEU CA C 57.9 0.2 1 359 42 42 LEU CB C 42.6 0.2 1 360 42 42 LEU CD1 C 24.3 0.02 2 361 42 42 LEU CD2 C 24.3 0.02 2 362 42 42 LEU N N 124.9 0.2 1 363 43 43 GLY H H 8.96 0.02 1 364 43 43 GLY HA2 H 4.21 0.02 2 365 43 43 GLY HA3 H 3.69 0.02 2 366 43 43 GLY C C 175.2 0.2 1 367 43 43 GLY CA C 45.1 0.2 1 368 43 43 GLY N N 110.4 0.2 1 369 44 44 TYR H H 7.89 0.02 1 370 44 44 TYR HA H 3.78 0.02 1 371 44 44 TYR HB2 H 3.42 0.02 2 372 44 44 TYR HB3 H 2.93 0.02 2 373 44 44 TYR HD1 H 6.88 0.02 3 374 44 44 TYR HD2 H 6.88 0.02 3 375 44 44 TYR HE1 H 6.77 0.02 3 376 44 44 TYR HE2 H 6.77 0.02 3 377 44 44 TYR C C 177.1 0.2 1 378 44 44 TYR CA C 62.8 0.2 1 379 44 44 TYR CB C 38.7 0.2 1 380 44 44 TYR CD1 C 134.0 0.2 3 381 44 44 TYR CD2 C 134.0 0.2 3 382 44 44 TYR CE1 C 118.7 0.2 3 383 44 44 TYR CE2 C 118.7 0.2 3 384 44 44 TYR N N 121.7 0.2 1 385 45 45 ASP H H 8.72 0.02 1 386 45 45 ASP HA H 4.25 0.02 1 387 45 45 ASP HB2 H 2.82 0.02 2 388 45 45 ASP HB3 H 2.78 0.02 2 389 45 45 ASP C C 177.0 0.2 1 390 45 45 ASP CA C 56.0 0.2 1 391 45 45 ASP CB C 39.7 0.2 1 392 45 45 ASP N N 113.6 0.2 1 393 46 46 LYS H H 7.48 0.02 1 394 46 46 LYS HA H 4.31 0.02 1 395 46 46 LYS HB2 H 2.02 0.02 2 396 46 46 LYS HB3 H 1.79 0.02 2 397 46 46 LYS HG2 H 1.67 0.02 2 398 46 46 LYS HG3 H 1.63 0.02 2 399 46 46 LYS HD2 H 1.47 0.02 2 400 46 46 LYS HD3 H 1.41 0.02 2 401 46 46 LYS HE2 H 3.01 0.02 2 402 46 46 LYS HE3 H 3.01 0.02 2 403 46 46 LYS C C 176.2 0.2 1 404 46 46 LYS CA C 55.2 0.2 1 405 46 46 LYS CB C 33.1 0.2 1 406 46 46 LYS CG C 28.6 0.2 1 407 46 46 LYS CD C 24.8 0.2 1 408 46 46 LYS CE C 42.2 0.2 1 409 46 46 LYS N N 118.0 0.2 1 410 47 47 ALA H H 7.19 0.02 1 411 47 47 ALA HA H 4.32 0.02 1 412 47 47 ALA HB H 1.14 0.02 1 413 47 47 ALA C C 176.8 0.2 1 414 47 47 ALA CA C 51.6 0.2 1 415 47 47 ALA CB C 18.7 0.2 1 416 47 47 ALA N N 120.4 0.2 1 417 48 48 ASP H H 7.04 0.02 1 418 48 48 ASP HB2 H 2.84 0.02 2 419 48 48 ASP HB3 H 2.33 0.02 2 420 48 48 ASP CA C 54.3 0.2 1 421 48 48 ASP CB C 40.5 0.2 1 422 48 48 ASP N N 119.2 0.2 1 423 49 49 LYS HA H 3.71 0.02 1 424 49 49 LYS HB2 H 1.91 0.02 2 425 49 49 LYS HB3 H 1.80 0.02 2 426 49 49 LYS HG2 H 1.40 0.02 2 427 49 49 LYS HG3 H 1.29 0.02 2 428 49 49 LYS HD2 H 1.50 0.02 2 429 49 49 LYS HD3 H 1.41 0.02 2 430 49 49 LYS HE2 H 2.85 0.02 2 431 49 49 LYS HE3 H 2.71 0.02 2 432 49 49 LYS C C 177.7 0.2 1 433 49 49 LYS CA C 60.9 0.2 1 434 49 49 LYS CB C 32.5 0.2 1 435 49 49 LYS CG C 25.3 0.2 1 436 49 49 LYS CD C 28.0 0.2 1 437 50 50 THR H H 7.97 0.02 1 438 50 50 THR HA H 4.07 0.02 1 439 50 50 THR HB H 4.26 0.02 1 440 50 50 THR HG2 H 1.21 0.02 1 441 50 50 THR C C 177.0 0.2 1 442 50 50 THR CA C 66.0 0.2 1 443 50 50 THR CB C 68.1 0.2 1 444 50 50 THR CG2 C 21.8 0.2 1 445 50 50 THR N N 116.1 0.02 1 446 51 51 LEU H H 8.15 0.02 1 447 51 51 LEU C C 177.8 0.2 1 448 51 51 LEU CA C 58.8 0.2 1 449 51 51 LEU CB C 42.6 0.2 1 450 51 51 LEU N N 125.1 0.2 1 451 52 52 LEU H H 7.55 0.02 1 452 52 52 LEU HG H 0.97 0.02 1 453 52 52 LEU C C 176.1 0.2 1 454 52 52 LEU CA C 59.8 0.2 1 455 52 52 LEU CB C 43.5 0.2 1 456 52 52 LEU CG C 26.4 0.2 1 457 52 52 LEU N N 116.8 0.2 1 458 53 53 ASP H H 7.88 0.02 1 459 53 53 ASP HB2 H 2.75 0.02 2 460 53 53 ASP HB3 H 2.54 0.02 2 461 53 53 ASP C C 178.3 0.2 1 462 53 53 ASP CA C 58.7 0.2 1 463 53 53 ASP CB C 40.8 0.2 1 464 53 53 ASP N N 117.0 0.2 1 465 54 54 THR H H 8.11 0.02 1 466 54 54 THR HA H 3.78 0.02 1 467 54 54 THR HB H 4.30 0.02 1 468 54 54 THR HG2 H 1.26 0.02 1 469 54 54 THR C C 176.8 0.2 1 470 54 54 THR CA C 66.6 0.2 1 471 54 54 THR CB C 69.0 0.2 1 472 54 54 THR CG2 C 21.2 0.2 1 473 54 54 THR N N 114.4 0.2 1 474 55 55 ILE H H 8.04 0.02 1 475 55 55 ILE HA H 3.10 0.02 1 476 55 55 ILE HB H 1.52 0.02 1 477 55 55 ILE HG12 H 1.71 0.02 2 478 55 55 ILE HG13 H 0.96 0.02 2 479 55 55 ILE HG2 H 0.67 0.02 1 480 55 55 ILE HD1 H 0.71 0.02 1 481 55 55 ILE C C 176.2 0.2 1 482 55 55 ILE CA C 65.0 0.2 1 483 55 55 ILE CB C 38.4 0.2 1 484 55 55 ILE CG1 C 28.3 0.2 1 485 55 55 ILE CG2 C 19.2 0.2 1 486 55 55 ILE CD1 C 13.4 0.2 1 487 55 55 ILE N N 117.8 0.2 1 488 56 56 LEU H H 8.37 0.02 1 489 56 56 LEU HA H 3.66 0.02 1 490 56 56 LEU HG H 0.69 0.02 1 491 56 56 LEU C C 177.0 0.2 1 492 56 56 LEU CA C 58.8 0.2 1 493 56 56 LEU CG C 26.4 0.2 1 494 56 56 LEU CD1 C 24.7 0.2 1 495 56 56 LEU CD2 C 24.7 0.2 1 496 56 56 LEU N N 118.6 0.2 1 497 57 57 HIS H H 7.76 0.02 1 498 57 57 HIS HA H 4.11 0.02 1 499 57 57 HIS HB2 H 3.21 0.02 2 500 57 57 HIS HB3 H 3.01 0.02 2 501 57 57 HIS HD2 H 6.95 0.02 1 502 57 57 HIS C C 178.1 0.2 1 503 57 57 HIS CA C 57.7 0.2 1 504 57 57 HIS CB C 28.6 0.2 1 505 57 57 HIS CD2 C 117.9 0.2 1 506 57 57 HIS N N 111.3 0.2 1 507 58 58 GLY H H 7.49 0.02 1 508 58 58 GLY HA2 H 3.71 0.02 2 509 58 58 GLY HA3 H 3.51 0.02 2 510 58 58 GLY C C 175.0 0.2 1 511 58 58 GLY CA C 47.5 0.2 1 512 58 58 GLY N N 109.7 0.2 1 513 59 59 VAL H H 8.00 0.02 1 514 59 59 VAL HA H 3.40 0.02 1 515 59 59 VAL HB H 1.86 0.02 1 516 59 59 VAL HG1 H 0.83 0.02 2 517 59 59 VAL HG2 H 0.75 0.02 2 518 59 59 VAL C C 176.9 0.2 1 519 59 59 VAL CA C 66.3 0.2 1 520 59 59 VAL CB C 30.5 0.2 1 521 59 59 VAL CG1 C 24.8 0.2 2 522 59 59 VAL CG2 C 23.5 0.2 2 523 59 59 VAL N N 120.8 0.2 1 524 60 60 ILE H H 6.88 0.02 1 525 60 60 ILE HA H 2.81 0.02 1 526 60 60 ILE HB H 1.29 0.02 1 527 60 60 ILE HG2 H 0.47 0.02 1 528 60 60 ILE HD1 H -0.01 0.02 1 529 60 60 ILE C C 178.7 0.2 1 530 60 60 ILE CA C 65.7 0.2 1 531 60 60 ILE CB C 37.6 0.2 1 532 60 60 ILE CG1 C 27.4 0.2 1 533 60 60 ILE CG2 C 15.6 0.2 1 534 60 60 ILE CD1 C 12.5 0.2 1 535 60 60 ILE N N 116.4 0.2 1 536 61 61 ARG H H 7.93 0.02 1 537 61 61 ARG HA H 4.16 0.02 1 538 61 61 ARG HB2 H 2.04 0.02 2 539 61 61 ARG HB3 H 2.04 0.02 2 540 61 61 ARG HG2 H 1.83 0.02 2 541 61 61 ARG HG3 H 1.63 0.02 2 542 61 61 ARG HD2 H 3.35 0.02 2 543 61 61 ARG HD3 H 3.35 0.02 2 544 61 61 ARG C C 179.2 0.2 1 545 61 61 ARG CA C 59.6 0.2 1 546 61 61 ARG CB C 31.0 0.2 1 547 61 61 ARG CG C 28.1 0.2 1 548 61 61 ARG CD C 43.4 0.2 1 549 61 61 ARG N N 118.3 0.2 1 550 62 62 GLU H H 8.18 0.02 1 551 62 62 GLU HA H 4.77 0.02 1 552 62 62 GLU HB2 H 2.69 0.02 2 553 62 62 GLU HB3 H 2.04 0.02 2 554 62 62 GLU HG2 H 2.60 0.02 2 555 62 62 GLU HG3 H 2.45 0.02 2 556 62 62 GLU C C 177.1 0.2 1 557 62 62 GLU CA C 57.0 0.2 1 558 62 62 GLU CB C 29.1 0.2 1 559 62 62 GLU CG C 36.9 0.2 1 560 62 62 GLU N N 115.5 0.2 1 561 63 63 HIS H H 7.70 0.02 1 562 63 63 HIS HA H 4.16 0.02 1 563 63 63 HIS HB2 H 3.71 0.02 2 564 63 63 HIS HB3 H 3.48 0.02 2 565 63 63 HIS HD2 H 6.51 0.02 1 566 63 63 HIS C C 175.8 0.2 1 567 63 63 HIS CA C 61.9 0.2 1 568 63 63 HIS CB C 30.2 0.2 1 569 63 63 HIS CD2 C 123.7 0.2 1 570 63 63 HIS N N 120.9 0.2 1 571 64 64 ALA H H 8.49 0.02 1 572 64 64 ALA HA H 4.06 0.02 1 573 64 64 ALA HB H 1.42 0.02 1 574 64 64 ALA C C 180.9 0.2 1 575 64 64 ALA CA C 55.6 0.2 1 576 64 64 ALA CB C 18.0 0.2 1 577 64 64 ALA N N 120.0 0.2 1 578 65 65 THR H H 7.61 0.02 1 579 65 65 THR HA H 4.13 0.02 1 580 65 65 THR HB H 4.33 0.02 1 581 65 65 THR HG2 H 1.33 0.02 1 582 65 65 THR C C 178.1 0.2 1 583 65 65 THR CA C 65.3 0.2 1 584 65 65 THR CB C 68.6 0.2 1 585 65 65 THR CG2 C 22.6 0.2 1 586 65 65 THR N N 113.2 0.2 1 587 66 66 LEU H H 8.64 0.02 1 588 66 66 LEU HA H 4.17 0.02 1 589 66 66 LEU HG H 1.25 0.02 1 590 66 66 LEU HD1 H 0.92 0.02 2 591 66 66 LEU HD2 H 0.92 0.02 2 592 66 66 LEU C C 178.9 0.2 1 593 66 66 LEU CA C 57.8 0.2 1 594 66 66 LEU CB C 43.1 0.2 1 595 66 66 LEU CG C 29.0 0.2 1 596 66 66 LEU CD1 C 21.7 0.2 2 597 66 66 LEU CD2 C 21.7 0.2 2 598 66 66 LEU N N 124.0 0.2 1 599 67 67 ALA H H 8.68 0.02 1 600 67 67 ALA HA H 3.93 0.02 1 601 67 67 ALA HB H 1.44 0.02 1 602 67 67 ALA C C 178.7 0.2 1 603 67 67 ALA CA C 55.7 0.2 1 604 67 67 ALA CB C 17.8 0.2 1 605 67 67 ALA N N 119.9 0.2 1 606 68 68 GLU H H 7.59 0.02 1 607 68 68 GLU HA H 4.11 0.02 1 608 68 68 GLU HB2 H 2.12 0.02 2 609 68 68 GLU HB3 H 2.12 0.02 2 610 68 68 GLU HG2 H 2.48 0.02 2 611 68 68 GLU HG3 H 2.31 0.02 2 612 68 68 GLU C C 178.3 0.2 1 613 68 68 GLU CA C 58.9 0.2 1 614 68 68 GLU CB C 29.7 0.2 1 615 68 68 GLU CG C 36.4 0.2 1 616 68 68 GLU N N 117.8 0.2 1 617 69 69 ALA H H 7.62 0.02 1 618 69 69 ALA HA H 4.20 0.02 1 619 69 69 ALA HB H 1.50 0.02 1 620 69 69 ALA C C 178.7 0.2 1 621 69 69 ALA CA C 54.2 0.2 1 622 69 69 ALA CB C 18.2 0.2 1 623 69 69 ALA N N 120.7 0.2 1 624 70 70 ILE H H 7.84 0.02 1 625 70 70 ILE HA H 3.82 0.02 1 626 70 70 ILE HB H 1.73 0.02 1 627 70 70 ILE HG2 H 0.89 0.02 1 628 70 70 ILE HD1 H 0.72 0.02 1 629 70 70 ILE C C 177.2 0.2 1 630 70 70 ILE CA C 64.1 0.2 1 631 70 70 ILE CB C 39.9 0.2 1 632 70 70 ILE CG1 C 30.7 0.2 1 633 70 70 ILE CG2 C 18.1 0.2 1 634 70 70 ILE CD1 C 14.8 0.2 1 635 70 70 ILE N N 115.7 0.2 1 636 71 71 SER H H 8.01 0.02 1 637 71 71 SER HA H 4.00 0.02 1 638 71 71 SER HB2 H 4.17 0.02 2 639 71 71 SER HB3 H 41.7 0.02 2 640 71 71 SER C C 177.8 0.2 1 641 71 71 SER CA C 61.9 0.2 1 642 71 71 SER CB C 65.2 0.2 1 643 71 71 SER N N 113.4 0.2 1 644 72 72 PRO HA H 4.54 0.02 1 645 72 72 PRO HB2 H 2.42 0.02 2 646 72 72 PRO HB3 H 1.91 0.02 2 647 72 72 PRO HG2 H 2.04 0.02 2 648 72 72 PRO HG3 H 1.94 0.02 2 649 72 72 PRO HD2 H 3.86 0.02 2 650 72 72 PRO HD3 H 3.43 0.02 2 651 72 72 PRO CA C 65.4 0.2 1 652 72 72 PRO CB C 31.1 0.2 1 653 72 72 PRO CG C 28.1 0.2 1 654 72 72 PRO CD C 51.1 0.2 1 655 73 73 SER H H 8.13 0.02 1 656 73 73 SER HA H 4.56 0.02 1 657 73 73 SER HB2 H 4.11 0.02 2 658 73 73 SER HB3 H 3.82 0.02 2 659 73 73 SER C C 172.8 0.2 1 660 73 73 SER CA C 59.6 0.2 1 661 73 73 SER CB C 64.3 0.2 1 662 73 73 SER N N 111.8 0.2 1 663 74 74 LEU H H 7.60 0.02 1 664 74 74 LEU HA H 4.52 0.02 1 665 74 74 LEU HB2 H 2.23 0.02 2 666 74 74 LEU HB3 H 1.83 0.02 2 667 74 74 LEU HG H 1.00 0.02 1 668 74 74 LEU C C 176.6 0.2 1 669 74 74 LEU CA C 53.8 0.2 1 670 74 74 LEU CB C 45.2 0.2 1 671 74 74 LEU CG C 26.0 0.2 1 672 74 74 LEU CD1 C 20.2 0.2 2 673 74 74 LEU N N 118.4 0.2 1 674 75 75 ASP H H 7.95 0.02 1 675 75 75 ASP HA H 4.63 0.02 1 676 75 75 ASP HB2 H 3.05 0.02 2 677 75 75 ASP HB3 H 2.74 0.02 2 678 75 75 ASP C C 174.6 0.2 1 679 75 75 ASP CA C 53.2 0.2 1 680 75 75 ASP CB C 40.6 0.2 1 681 75 75 ASP N N 118.1 0.2 1 682 76 76 ARG H H 7.53 0.02 1 683 76 76 ARG CA C 54.3 0.2 1 684 76 76 ARG CB C 30.5 0.2 1 685 76 76 ARG N N 117.2 0.2 1 686 77 77 PRO HA H 4.39 0.02 1 687 77 77 PRO HB2 H 2.45 0.02 2 688 77 77 PRO HB3 H 1.84 0.02 2 689 77 77 PRO C C 178.3 0.2 1 690 77 77 PRO CA C 62.8 0.2 1 691 77 77 PRO CB C 32.6 0.2 1 692 77 77 PRO CG C 29.2 0.2 1 693 78 78 ILE H H 8.84 0.02 1 694 78 78 ILE HA H 3.80 0.02 1 695 78 78 ILE HB H 1.80 0.02 1 696 78 78 ILE HG12 H 1.59 0.02 2 697 78 78 ILE HG13 H 1.29 0.02 2 698 78 78 ILE HG2 H 0.97 0.02 1 699 78 78 ILE HD1 H 0.95 0.02 1 700 78 78 ILE C C 175.4 0.2 1 701 78 78 ILE CA C 64.8 0.2 1 702 78 78 ILE CB C 37.7 0.2 1 703 78 78 ILE CG1 C 30.1 0.2 1 704 78 78 ILE CG2 C 16.0 0.2 1 705 78 78 ILE CD1 C 14.2 0.2 1 706 78 78 ILE N N 124.2 0.2 1 707 79 79 ASP H H 7.98 0.02 1 708 79 79 ASP HA H 4.32 0.02 1 709 79 79 ASP HB2 H 2.75 0.02 2 710 79 79 ASP HB3 H 2.60 0.02 2 711 79 79 ASP C C 176.6 0.2 1 712 79 79 ASP CA C 54.8 0.2 1 713 79 79 ASP CB C 39.8 0.2 1 714 79 79 ASP N N 116.3 0.2 1 715 80 80 GLN H H 8.01 0.02 1 716 80 80 GLN HA H 4.27 0.02 1 717 80 80 GLN HB2 H 2.30 0.02 2 718 80 80 GLN HB3 H 1.84 0.02 2 719 80 80 GLN HG2 H 2.39 0.02 2 720 80 80 GLN HG3 H 2.39 0.02 2 721 80 80 GLN HE21 H 7.76 0.02 2 722 80 80 GLN HE22 H 6.86 0.02 2 723 80 80 GLN CA C 55.5 0.2 1 724 80 80 GLN CB C 28.4 0.2 1 725 80 80 GLN CG C 34.3 0.2 1 726 80 80 GLN N N 116.1 0.2 1 727 80 80 GLN NE2 N 112.2 0.2 1 728 81 81 LEU H H 7.39 0.2 1 729 81 81 LEU HA H 4.39 0.02 1 730 81 81 LEU HB2 H 1.85 0.02 2 731 81 81 LEU HB3 H 1.72 0.02 2 732 81 81 LEU HG H 1.84 0.02 1 733 81 81 LEU HD1 H 0.95 0.02 2 734 81 81 LEU HD2 H 0.84 0.02 2 735 81 81 LEU CA C 54.6 0.2 1 736 81 81 LEU CB C 42.8 0.2 1 737 81 81 LEU CG C 27.9 0.2 1 738 81 81 LEU CD1 C 26.0 0.2 2 739 81 81 LEU CD2 C 23.7 0.2 2 740 81 81 LEU N N 121.1 0.2 1 741 82 82 SER H H 9.05 0.02 1 742 82 82 SER HA H 4.72 0.02 1 743 82 82 SER HB2 H 4.43 0.02 2 744 82 82 SER HB3 H 4.09 0.02 2 745 82 82 SER CA C 57.1 0.2 1 746 82 82 SER CB C 62.7 0.2 1 747 82 82 SER N N 120.1 0.2 1 748 83 83 PRO CA C 67.1 0.2 1 749 83 83 PRO CB C 32.7 0.2 1 750 83 83 PRO CG C 29.1 0.2 1 751 84 84 VAL H H 7.99 0.02 1 752 84 84 VAL HA H 3.62 0.02 1 753 84 84 VAL HB H 1.97 0.02 1 754 84 84 VAL HG1 H 0.88 0.02 2 755 84 84 VAL HG2 H 0.76 0.02 2 756 84 84 VAL CA C 67.3 0.2 1 757 84 84 VAL CB C 31.6 0.2 1 758 84 84 VAL CG1 C 23.7 0.2 2 759 84 84 VAL CG2 C 21.2 0.2 2 760 84 84 VAL N N 115.2 0.2 1 761 85 85 GLU H H 7.83 0.02 1 762 85 85 GLU HA H 3.70 0.02 1 763 85 85 GLU HG2 H 2.28 0.02 2 764 85 85 GLU HG3 H 2.28 0.02 2 765 85 85 GLU CA C 60.9 0.2 1 766 85 85 GLU CB C 31.1 0.2 1 767 85 85 GLU CG C 38.3 0.2 1 768 85 85 GLU N N 119.6 0.2 1 769 86 86 ARG H H 8.50 0.02 1 770 86 86 ARG HA H 3.76 0.02 1 771 86 86 ARG HB2 H 1.90 0.02 2 772 86 86 ARG HB3 H 1.90 0.02 2 773 86 86 ARG HD2 H 3.27 0.02 2 774 86 86 ARG HD3 H 3.20 0.02 2 775 86 86 ARG CA C 60.6 0.2 1 776 86 86 ARG CB C 31.7 0.2 1 777 86 86 ARG CG C 29.0 0.2 1 778 86 86 ARG CD C 44.6 0.2 1 779 86 86 ARG N N 116.6 0.2 1 780 87 87 ALA H H 8.44 0.02 1 781 87 87 ALA HA H 4.00 0.02 1 782 87 87 ALA HB H 1.61 0.02 1 783 87 87 ALA CA C 56.2 0.2 1 784 87 87 ALA CB C 18.7 0.2 1 785 87 87 ALA N N 119.9 0.2 1 786 88 88 VAL H H 8.39 0.02 1 787 88 88 VAL HA H 3.62 0.02 1 788 88 88 VAL HB H 2.18 0.02 1 789 88 88 VAL HG1 H 1.10 0.02 2 790 88 88 VAL HG2 H 1.10 0.02 2 791 88 88 VAL CA C 67.2 0.2 1 792 88 88 VAL CB C 31.8 0.2 1 793 88 88 VAL CG1 C 23.3 0.2 2 794 88 88 VAL CG2 C 23.3 0.2 2 795 88 88 VAL N N 114.9 0.2 1 796 89 89 LEU H H 8.32 0.02 1 797 89 89 LEU HG H 0.89 0.02 1 798 89 89 LEU HD1 H 0.86 0.02 2 799 89 89 LEU HD2 H 0.86 0.02 2 800 89 89 LEU CA C 59.4 0.2 1 801 89 89 LEU CB C 43.0 0.2 1 802 89 89 LEU CG C 26.6 0.2 1 803 89 89 LEU CD1 C 23.9 0.2 2 804 89 89 LEU CD2 C 23.9 0.2 2 805 89 89 LEU N N 117.7 0.2 1 806 90 90 LEU H H 8.90 0.02 1 807 90 90 LEU HA H 3.99 0.02 1 808 90 90 LEU HG H 1.08 0.02 1 809 90 90 LEU CA C 59.2 0.2 1 810 90 90 LEU CB C 43.0 0.2 1 811 90 90 LEU CG C 25.9 0.2 1 812 90 90 LEU CD1 C 20.1 0.2 2 813 90 90 LEU CD2 C 20.1 0.2 2 814 90 90 LEU N N 123.3 0.2 1 815 91 91 ILE H H 8.32 0.02 1 816 91 91 ILE HB H 1.95 0.02 1 817 91 91 ILE HG12 H 1.03 0.02 2 818 91 91 ILE HG13 H 0.57 0.02 2 819 91 91 ILE HG2 H 0.88 0.02 1 820 91 91 ILE HD1 H 0.74 0.02 1 821 91 91 ILE CB C 38.6 0.2 1 822 91 91 ILE CG1 C 29.8 0.2 1 823 91 91 ILE CG2 C 16.0 0.2 1 824 91 91 ILE CD1 C 15.0 0.2 1 825 91 91 ILE N N 120.1 0.2 1 826 92 92 ALA H H 8.47 0.02 1 827 92 92 ALA HA H 4.20 0.02 1 828 92 92 ALA HB H 1.41 0.02 1 829 92 92 ALA CA C 54.9 0.2 1 830 92 92 ALA CB C 20.1 0.2 1 831 92 92 ALA N N 119.5 0.2 1 832 93 93 THR H H 8.52 0.02 1 833 93 93 THR HB H 4.21 0.02 1 834 93 93 THR HG2 H 1.16 0.02 1 835 93 93 THR CA C 69.5 0.2 1 836 93 93 THR CB C 67.4 0.2 1 837 93 93 THR CG2 C 21.4 0.2 1 838 93 93 THR N N 115.4 0.2 1 839 94 94 TYR H H 8.99 0.02 1 840 94 94 TYR HA H 3.74 0.02 1 841 94 94 TYR HB2 H 3.44 0.02 2 842 94 94 TYR HB3 H 3.09 0.02 2 843 94 94 TYR HD1 H 6.79 0.02 3 844 94 94 TYR HD2 H 6.79 0.02 3 845 94 94 TYR HE1 H 6.38 0.02 3 846 94 94 TYR HE2 H 6.38 0.02 3 847 94 94 TYR CA C 63.8 0.2 1 848 94 94 TYR CB C 38.2 0.2 1 849 94 94 TYR CD1 C 132.5 0.2 3 850 94 94 TYR CD2 C 132.5 0.2 3 851 94 94 TYR CE1 C 118.9 0.2 3 852 94 94 TYR CE2 C 118.9 0.2 3 853 94 94 TYR N N 127.9 0.2 1 854 95 95 GLU H H 8.96 0.02 1 855 95 95 GLU HA H 3.91 0.02 1 856 95 95 GLU HG2 H 2.87 0.02 2 857 95 95 GLU HG3 H 1.90 0.02 2 858 95 95 GLU CA C 61.8 0.2 1 859 95 95 GLU CB C 32.2 0.2 1 860 95 95 GLU CG C 39.5 0.2 1 861 95 95 GLU N N 119.4 0.2 1 862 96 96 LEU H H 9.44 0.02 1 863 96 96 LEU HD1 H 0.74 0.02 2 864 96 96 LEU HD2 H 0.74 0.02 2 865 96 96 LEU CA C 58.7 0.2 1 866 96 96 LEU CB C 44.3 0.2 1 867 96 96 LEU CD1 C 25.8 0.2 2 868 96 96 LEU CD2 C 25.8 0.2 2 869 96 96 LEU N N 119.6 0.2 1 870 97 97 THR H H 7.84 0.02 1 871 97 97 THR HA H 3.82 0.02 1 872 97 97 THR HB H 3.76 0.02 1 873 97 97 THR HG2 H 0.58 0.02 1 874 97 97 THR CA C 66.2 0.2 1 875 97 97 THR CB C 69.7 0.2 1 876 97 97 THR CG2 C 20.2 0.2 1 877 97 97 THR N N 112.5 0.2 1 878 98 98 HIS H H 7.95 0.02 1 879 98 98 HIS HA H 4.72 0.02 1 880 98 98 HIS HB2 H 3.14 0.02 2 881 98 98 HIS HB3 H 2.40 0.02 2 882 98 98 HIS HD2 H 5.75 0.02 1 883 98 98 HIS CA C 57.4 0.2 1 884 98 98 HIS CB C 31.4 0.2 1 885 98 98 HIS CD2 C 121.2 0.2 1 886 98 98 HIS N N 113.4 0.2 1 887 99 99 GLN H H 8.66 0.02 1 888 99 99 GLN HB2 H 2.36 0.02 2 889 99 99 GLN HB3 H 2.28 0.02 2 890 99 99 GLN HG2 H 2.53 0.02 2 891 99 99 GLN HG3 H 2.19 0.02 2 892 99 99 GLN HE21 H 7.82 0.02 2 893 99 99 GLN HE22 H 6.97 0.02 2 894 99 99 GLN CA C 54.9 0.2 1 895 99 99 GLN CB C 26.8 0.2 1 896 99 99 GLN CG C 34.4 0.2 1 897 99 99 GLN N N 122.8 0.2 1 898 99 99 GLN NE2 N 110.8 0.2 1 899 100 100 ILE H H 7.41 0.02 1 900 100 100 ILE HA H 3.75 0.02 1 901 100 100 ILE HB H 2.01 0.02 1 902 100 100 ILE HG12 H 1.37 0.02 2 903 100 100 ILE HG13 H 1.28 0.02 2 904 100 100 ILE HG2 H 0.90 0.02 1 905 100 100 ILE HD1 H 0.87 0.02 1 906 100 100 ILE CA C 63.4 0.2 1 907 100 100 ILE CB C 37.6 0.2 1 908 100 100 ILE CG1 C 27.1 0.2 1 909 100 100 ILE CG2 C 18.7 0.2 1 910 100 100 ILE CD1 C 12.9 0.2 1 911 100 100 ILE N N 116.8 0.2 1 912 101 101 GLU H H 9.20 0.02 1 913 101 101 GLU HA H 4.29 0.02 1 914 101 101 GLU HB2 H 2.17 0.02 2 915 101 101 GLU HB3 H 2.02 0.02 2 916 101 101 GLU HG2 H 2.31 0.02 2 917 101 101 GLU HG3 H 2.28 0.02 2 918 101 101 GLU C C 176.6 0.2 1 919 101 101 GLU CA C 57.1 0.2 1 920 101 101 GLU CB C 28.7 0.2 1 921 101 101 GLU CG C 36.4 0.2 1 922 101 101 GLU N N 119.6 0.2 1 923 102 102 THR H H 8.14 0.02 1 924 102 102 THR HA H 4.68 0.02 1 925 102 102 THR HB H 4.27 0.02 1 926 102 102 THR HG2 H 1.29 0.02 1 927 102 102 THR CA C 60.0 0.2 1 928 102 102 THR CB C 69.9 0.2 1 929 102 102 THR CG2 C 22.4 0.2 1 930 102 102 THR N N 121.6 0.2 1 931 103 103 PRO HA H 4.65 0.02 1 932 103 103 PRO HB2 H 2.56 0.02 2 933 103 103 PRO HB3 H 1.88 0.02 2 934 103 103 PRO HG2 H 2.14 0.02 2 935 103 103 PRO HG3 H 2.07 0.02 2 936 103 103 PRO CA C 62.7 0.2 1 937 103 103 PRO CB C 33.4 0.2 1 938 103 103 PRO CG C 27.7 0.2 1 939 104 104 TYR H H 9.39 0.02 1 940 104 104 TYR HA H 4.10 0.02 1 941 104 104 TYR HB2 H 3.00 0.02 2 942 104 104 TYR HB3 H 2.81 0.02 2 943 104 104 TYR HD1 H 7.05 0.02 3 944 104 104 TYR HD2 H 7.05 0.02 3 945 104 104 TYR HE1 H 6.80 0.02 3 946 104 104 TYR HE2 H 6.80 0.02 3 947 104 104 TYR CA C 61.3 0.2 1 948 104 104 TYR CB C 37.4 0.2 1 949 104 104 TYR CD1 C 133.6 0.2 3 950 104 104 TYR CD2 C 133.6 0.2 3 951 104 104 TYR CE1 C 118.7 0.2 3 952 104 104 TYR CE2 C 118.7 0.2 3 953 104 104 TYR N N 123.3 0.2 1 954 105 105 ARG H H 7.55 0.02 1 955 105 105 ARG HA H 3.45 0.02 1 956 105 105 ARG HB2 H 1.50 0.02 2 957 105 105 ARG HB3 H 1.29 0.02 2 958 105 105 ARG HG2 H 1.17 0.02 2 959 105 105 ARG HG3 H 1.22 0.02 2 960 105 105 ARG HD2 H 3.09 0.02 2 961 105 105 ARG HD3 H 2.96 0.02 2 962 105 105 ARG CA C 58.4 0.2 1 963 105 105 ARG CB C 29.0 0.2 1 964 105 105 ARG CG C 27.0 0.2 1 965 105 105 ARG CD C 42.4 0.2 1 966 105 105 ARG N N 119.7 0.2 1 967 106 106 VAL H H 6.93 0.02 1 968 106 106 VAL HA H 3.66 0.02 1 969 106 106 VAL HB H 2.17 0.02 1 970 106 106 VAL HG1 H 1.02 0.02 2 971 106 106 VAL HG2 H 0.89 0.02 2 972 106 106 VAL CA C 65.7 0.2 1 973 106 106 VAL CB C 31.6 0.2 1 974 106 106 VAL CG1 C 22.2 0.2 2 975 106 106 VAL CG2 C 20.4 0.2 2 976 106 106 VAL N N 118.6 0.2 1 977 107 107 ILE H H 6.81 0.02 1 978 107 107 ILE HA H 3.48 0.02 1 979 107 107 ILE HB H 1.90 0.02 1 980 107 107 ILE HG2 H 1.00 0.02 1 981 107 107 ILE HD1 H 0.74 0.02 1 982 107 107 ILE CA C 65.4 0.2 1 983 107 107 ILE CB C 38.6 0.2 1 984 107 107 ILE CG1 C 22.2 0.2 1 985 107 107 ILE CG2 C 18.0 0.2 1 986 107 107 ILE CD1 C 15.6 0.2 1 987 107 107 ILE N N 118.8 0.2 1 988 108 108 ILE H H 8.06 0.02 1 989 108 108 ILE HA H 3.61 0.02 1 990 108 108 ILE HB H 1.81 0.02 1 991 108 108 ILE HG2 H 0.96 0.02 1 992 108 108 ILE HD1 H 1.00 0.02 1 993 108 108 ILE C C 176.8 0.2 1 994 108 108 ILE CA C 66.2 0.2 1 995 108 108 ILE CB C 37.8 0.2 1 996 108 108 ILE CG2 C 17.2 0.2 1 997 108 108 ILE CD1 C 13.8 0.2 1 998 108 108 ILE N N 117.3 0.2 1 999 109 109 ASN H H 8.30 0.02 1 1000 109 109 ASN HA H 4.37 0.02 1 1001 109 109 ASN HB2 H 2.95 0.02 2 1002 109 109 ASN HB3 H 2.82 0.02 2 1003 109 109 ASN HD21 H 7.69 0.02 2 1004 109 109 ASN HD22 H 6.90 0.02 2 1005 109 109 ASN C C 179.0 0.2 1 1006 109 109 ASN CA C 56.7 0.2 1 1007 109 109 ASN CB C 38.0 0.2 1 1008 109 109 ASN N N 118.2 0.2 1 1009 109 109 ASN ND2 N 111.8 0.2 1 1010 110 110 GLU H H 8.48 0.02 1 1011 110 110 GLU HA H 3.92 0.02 1 1012 110 110 GLU CA C 59.4 0.2 1 1013 110 110 GLU CB C 30.8 0.2 1 1014 110 110 GLU CG C 34.9 0.2 1 1015 110 110 GLU N N 118.3 0.2 1 1016 111 111 ALA H H 8.01 0.02 1 1017 111 111 ALA HB H 1.48 0.02 1 1018 111 111 ALA CA C 56.5 0.2 1 1019 111 111 ALA CB C 19.5 0.2 1 1020 111 111 ALA N N 122.7 0.2 1 1021 112 112 VAL H H 8.65 0.02 1 1022 112 112 VAL HA H 3.50 0.02 1 1023 112 112 VAL HB H 2.28 0.02 1 1024 112 112 VAL HG1 H 1.10 0.02 2 1025 112 112 VAL HG2 H 0.96 0.02 2 1026 112 112 VAL C C 178.2 0.2 1 1027 112 112 VAL CA C 67.5 0.2 1 1028 112 112 VAL CB C 31.5 0.2 1 1029 112 112 VAL CG1 C 23.5 0.2 2 1030 112 112 VAL CG2 C 21.7 0.2 2 1031 112 112 VAL N N 118.3 0.2 1 1032 113 113 GLU H H 7.89 0.02 1 1033 113 113 GLU HA H 3.95 0.02 1 1034 113 113 GLU HB2 H 2.06 0.02 2 1035 113 113 GLU HB3 H 2.06 0.02 2 1036 113 113 GLU HG2 H 2.33 0.02 2 1037 113 113 GLU HG3 H 2.33 0.02 2 1038 113 113 GLU CA C 59.4 0.2 1 1039 113 113 GLU CB C 28.6 0.2 1 1040 113 113 GLU CG C 36.2 0.2 1 1041 113 113 GLU N N 118.6 0.2 1 1042 114 114 LEU H H 8.36 0.02 1 1043 114 114 LEU HA H 4.17 0.02 1 1044 114 114 LEU HB2 H 2.36 0.02 2 1045 114 114 LEU HB3 H 2.36 0.02 2 1046 114 114 LEU HG H 1.01 0.02 1 1047 114 114 LEU HD1 H 0.99 0.02 2 1048 114 114 LEU CA C 58.3 0.2 1 1049 114 114 LEU CB C 42.9 0.2 1 1050 114 114 LEU CG C 25.2 0.2 1 1051 114 114 LEU CD1 C 23.5 0.2 2 1052 114 114 LEU N N 121.9 0.2 1 1053 115 115 ALA H H 8.59 0.02 1 1054 115 115 ALA HA H 4.01 0.02 1 1055 115 115 ALA HB H 1.59 0.02 1 1056 115 115 ALA CA C 55.3 0.2 1 1057 115 115 ALA CB C 17.5 0.2 1 1058 115 115 ALA N N 121.1 0.2 1 1059 116 116 LYS CA C 60.6 0.2 1 1060 117 117 THR H H 8.11 0.02 1 1061 117 117 THR HA H 3.73 0.02 1 1062 117 117 THR HB H 3.92 0.02 1 1063 117 117 THR HG2 H 0.36 0.02 1 1064 117 117 THR CA C 66.5 0.2 1 1065 117 117 THR CB C 69.1 0.2 1 1066 117 117 THR CG2 C 20.5 0.2 1 1067 117 117 THR N N 116.4 0.2 1 1068 118 118 PHE H H 8.10 0.02 1 1069 118 118 PHE HA H 4.71 0.02 1 1070 118 118 PHE HB2 H 3.22 0.02 2 1071 118 118 PHE HB3 H 2.58 0.02 2 1072 118 118 PHE HD1 H 7.38 0.02 3 1073 118 118 PHE HD2 H 7.38 0.02 3 1074 118 118 PHE HE1 H 7.27 0.02 3 1075 118 118 PHE HE2 H 7.27 0.02 3 1076 118 118 PHE CA C 59.1 0.2 1 1077 118 118 PHE CB C 41.2 0.2 1 1078 118 118 PHE CD1 C 132.1 0.2 3 1079 118 118 PHE CD2 C 132.1 0.2 3 1080 118 118 PHE CE1 C 131.2 0.2 3 1081 118 118 PHE CE2 C 131.2 0.2 3 1082 118 118 PHE N N 115.2 0.2 1 1083 119 119 GLY H H 8.19 0.02 1 1084 119 119 GLY HA2 H 4.43 0.02 2 1085 119 119 GLY HA3 H 3.99 0.02 2 1086 119 119 GLY CA C 45.1 0.2 1 1087 119 119 GLY N N 108.6 0.2 1 1088 120 120 GLY H H 8.39 0.02 1 1089 120 120 GLY HA2 H 4.24 0.02 2 1090 120 120 GLY HA3 H 4.16 0.02 2 1091 120 120 GLY CA C 44.9 0.2 1 1092 120 120 GLY N N 107.3 0.2 1 1093 121 121 SER H H 8.80 0.02 1 1094 121 121 SER HA H 4.31 0.02 1 1095 121 121 SER HB2 H 3.97 0.02 2 1096 121 121 SER HB3 H 3.97 0.02 2 1097 121 121 SER CA C 60.8 0.2 1 1098 121 121 SER CB C 63.1 0.2 1 1099 121 121 SER N N 116.5 0.2 1 1100 122 122 ASP H H 8.72 0.02 1 1101 122 122 ASP HA H 4.77 0.02 1 1102 122 122 ASP HB2 H 2.75 0.02 2 1103 122 122 ASP HB3 H 2.68 0.02 2 1104 122 122 ASP CA C 56.0 0.2 1 1105 122 122 ASP CB C 41.0 0.2 1 1106 122 122 ASP N N 119.3 0.2 1 1107 123 123 GLY H H 8.18 0.02 1 1108 123 123 GLY HA2 H 4.07 0.02 2 1109 123 123 GLY HA3 H 4.07 0.02 2 1110 123 123 GLY CA C 47.3 0.2 1 1111 123 123 GLY N N 110.1 0.2 1 1112 124 124 TYR H H 8.37 0.02 1 1113 124 124 TYR HA H 4.33 0.02 1 1114 124 124 TYR HB2 H 3.23 0.02 2 1115 124 124 TYR HB3 H 2.82 0.02 2 1116 124 124 TYR HE1 H 6.96 0.02 3 1117 124 124 TYR HE2 H 6.96 0.02 3 1118 124 124 TYR CA C 59.2 0.2 1 1119 124 124 TYR CB C 38.1 0.2 1 1120 124 124 TYR CE1 C 118.9 0.2 3 1121 124 124 TYR CE2 C 118.9 0.2 3 1122 124 124 TYR N N 117.7 0.2 1 1123 125 125 LYS HA H 3.82 0.02 1 1124 125 125 LYS HB2 H 1.73 0.02 2 1125 125 125 LYS HB3 H 1.63 0.02 2 1126 125 125 LYS HG2 H 1.61 0.02 2 1127 125 125 LYS HG3 H 1.54 0.02 2 1128 125 125 LYS HD2 H 1.07 0.02 2 1129 125 125 LYS HD3 H 0.76 0.02 2 1130 125 125 LYS C C 179.1 0.2 1 1131 125 125 LYS CA C 59.2 0.2 1 1132 125 125 LYS CB C 32.2 0.2 1 1133 125 125 LYS CG C 25.5 0.2 1 1134 125 125 LYS CD C 29.4 0.2 1 1135 126 126 TYR H H 7.82 0.02 1 1136 126 126 TYR HA H 4.21 0.02 1 1137 126 126 TYR HB2 H 3.19 0.02 2 1138 126 126 TYR HB3 H 3.19 0.02 2 1139 126 126 TYR HD1 H 6.98 0.02 3 1140 126 126 TYR HD2 H 6.98 0.02 3 1141 126 126 TYR HE1 H 6.77 0.02 3 1142 126 126 TYR HE2 H 6.77 0.02 3 1143 126 126 TYR CA C 61.4 0.2 1 1144 126 126 TYR CB C 38.2 0.2 1 1145 126 126 TYR CD1 C 133.0 0.2 3 1146 126 126 TYR CD2 C 133.0 0.2 3 1147 126 126 TYR CE1 C 118.7 0.2 3 1148 126 126 TYR CE2 C 128.7 0.2 3 1149 126 126 TYR N N 121.7 0.2 1 1150 127 127 VAL H H 8.32 0.02 1 1151 127 127 VAL HA H 3.45 0.02 1 1152 127 127 VAL HB H 2.19 0.02 1 1153 127 127 VAL HG1 H 1.13 0.02 2 1154 127 127 VAL HG2 H 0.92 0.02 2 1155 127 127 VAL CA C 66.5 0.2 1 1156 127 127 VAL CB C 32.9 0.2 1 1157 127 127 VAL CG1 C 22.5 0.2 2 1158 127 127 VAL CG2 C 21.2 0.2 2 1159 127 127 VAL N N 117.3 0.2 1 1160 128 128 ASN H H 8.38 0.02 1 1161 128 128 ASN HA H 4.06 0.02 1 1162 128 128 ASN HB2 H 3.03 0.02 2 1163 128 128 ASN HB3 H 2.90 0.02 2 1164 128 128 ASN HD21 H 7.47 0.02 2 1165 128 128 ASN HD22 H 7.10 0.02 2 1166 128 128 ASN CA C 56.5 0.2 1 1167 128 128 ASN CB C 39.5 0.2 1 1168 128 128 ASN N N 117.3 0.2 1 1169 128 128 ASN ND2 N 113.4 0.2 1 1170 129 129 GLY H H 7.87 0.02 1 1171 129 129 GLY HA2 H 4.02 0.02 2 1172 129 129 GLY HA3 H 3.93 0.02 2 1173 129 129 GLY CA C 47.2 0.2 1 1174 129 129 GLY N N 105.6 0.2 1 1175 130 130 VAL H H 7.57 0.02 1 1176 130 130 VAL HA H 3.57 0.02 1 1177 130 130 VAL HB H 1.88 0.02 1 1178 130 130 VAL HG1 H 0.65 0.02 2 1179 130 130 VAL C C 178.3 0.2 1 1180 130 130 VAL CA C 66.2 0.2 1 1181 130 130 VAL CB C 32.2 0.2 1 1182 130 130 VAL CG1 C 22.4 0.2 2 1183 130 130 VAL CG2 C 21.9 0.2 2 1184 130 130 VAL N N 121.1 0.2 1 1185 131 131 LEU H H 8.34 0.02 1 1186 131 131 LEU HG H 0.80 0.02 1 1187 131 131 LEU HD1 H 0.78 0.02 2 1188 131 131 LEU HD2 H 0.78 0.02 2 1189 131 131 LEU CA C 59.0 0.2 1 1190 131 131 LEU CB C 43.0 0.2 1 1191 131 131 LEU CG C 28.3 0.2 1 1192 131 131 LEU CD1 C 23.7 0.2 2 1193 131 131 LEU CD2 C 23.7 0.2 2 1194 131 131 LEU N N 118.2 0.2 1 1195 132 132 ASP H H 8.02 0.02 1 1196 132 132 ASP HA H 4.44 0.02 1 1197 132 132 ASP HB2 H 2.79 0.02 2 1198 132 132 ASP HB3 H 2.63 0.02 2 1199 132 132 ASP CA C 57.8 0.2 1 1200 132 132 ASP CB C 40.5 0.2 1 1201 132 132 ASP N N 119.0 0.2 1 1202 133 133 LYS H H 7.10 0.02 1 1203 133 133 LYS HA H 4.10 0.02 1 1204 133 133 LYS HB2 H 2.16 0.02 2 1205 133 133 LYS HB3 H 1.92 0.02 2 1206 133 133 LYS HG2 H 1.75 0.02 2 1207 133 133 LYS HG3 H 1.47 0.02 2 1208 133 133 LYS CA C 59.2 0.2 1 1209 133 133 LYS CB C 32.5 0.2 1 1210 133 133 LYS CG C 25.6 0.2 1 1211 133 133 LYS N N 117.7 0.2 1 1212 134 134 LEU C C 178.9 0.2 1 1213 134 134 LEU CB C 43.6 0.2 1 1214 135 135 ALA H H 8.78 0.02 1 1215 135 135 ALA HA H 3.68 0.02 1 1216 135 135 ALA HB H 1.25 0.02 1 1217 135 135 ALA CA C 56.2 0.2 1 1218 135 135 ALA CB C 18.3 0.2 1 1219 135 135 ALA N N 120.6 0.2 1 1220 136 136 VAL H H 6.73 0.02 1 1221 136 136 VAL HA H 3.68 0.02 1 1222 136 136 VAL HB H 2.02 0.02 1 1223 136 136 VAL HG1 H 1.01 0.02 2 1224 136 136 VAL HG2 H 0.88 0.02 2 1225 136 136 VAL CA C 56.1 0.2 1 1226 136 136 VAL CB C 31.8 0.2 1 1227 136 136 VAL CG1 C 22.1 0.2 2 1228 136 136 VAL CG2 C 21.1 0.2 2 1229 136 136 VAL N N 113.8 0.2 1 1230 137 137 LYS H H 6.97 0.02 1 1231 137 137 LYS HA H 4.08 0.02 1 1232 137 137 LYS HB2 H 1.87 0.02 2 1233 137 137 LYS HB3 H 1.87 0.02 2 1234 137 137 LYS HG2 H 1.49 0.02 2 1235 137 137 LYS HG3 H 1.38 0.02 2 1236 137 137 LYS HD2 H 1.68 0.02 2 1237 137 137 LYS HD3 H 1.68 0.02 2 1238 137 137 LYS HE2 H 4.07 0.02 2 1239 137 137 LYS HE3 H 4.07 0.02 2 1240 137 137 LYS CA C 57.9 0.2 1 1241 137 137 LYS CB C 33.0 0.2 1 1242 137 137 LYS CG C 24.6 0.2 1 1243 137 137 LYS CD C 29.0 0.2 1 1244 137 137 LYS N N 116.6 0.2 1 1245 138 138 LEU H H 8.28 0.02 1 1246 138 138 LEU HG H 0.82 0.02 1 1247 138 138 LEU HD1 H 0.80 0.02 2 1248 138 138 LEU HD2 H 0.80 0.02 2 1249 138 138 LEU CA C 56.8 0.2 1 1250 138 138 LEU CB C 44.4 0.2 1 1251 138 138 LEU CG C 27.0 0.2 1 1252 138 138 LEU CD1 C 22.3 0.2 2 1253 138 138 LEU CD2 C 22.3 0.2 2 1254 138 138 LEU N N 115.4 0.2 1 1255 139 139 ARG H H 8.14 0.02 1 1256 139 139 ARG CA C 53.2 0.2 1 1257 139 139 ARG CB C 31.2 0.2 1 1258 139 139 ARG N N 117.5 0.2 1 1259 140 140 PRO HA H 4.33 0.02 1 1260 140 140 PRO HB2 H 2.35 0.02 2 1261 140 140 PRO HB3 H 1.95 0.02 2 1262 140 140 PRO HG2 H 2.02 0.02 2 1263 140 140 PRO HG3 H 1.47 0.02 2 1264 140 140 PRO HD2 H 3.55 0.02 2 1265 140 140 PRO HD3 H 3.23 0.02 2 1266 140 140 PRO CA C 65.2 0.2 1 1267 140 140 PRO CB C 31.0 0.2 1 1268 140 140 PRO CG C 27.5 0.2 1 1269 140 140 PRO CD C 50.2 0.2 1 1270 141 141 ALA H H 8.11 0.02 1 1271 141 141 ALA HA H 4.23 0.02 1 1272 141 141 ALA HB H 1.45 0.02 1 1273 141 141 ALA C C 180.1 0.2 1 1274 141 141 ALA CA C 54.4 0.2 1 1275 141 141 ALA CB C 18.2 0.2 1 1276 141 141 ALA N N 118.8 0.2 1 1277 142 142 GLU H H 7.87 0.02 1 1278 142 142 GLU HA H 4.27 0.02 1 1279 142 142 GLU HB2 H 2.32 0.02 2 1280 142 142 GLU HB3 H 2.05 0.02 2 1281 142 142 GLU HG2 H 2.46 0.02 2 1282 142 142 GLU HG3 H 2.46 0.02 2 1283 142 142 GLU CA C 57.9 0.2 1 1284 142 142 GLU CB C 32.1 0.2 1 1285 142 142 GLU CG C 37.1 0.2 1 1286 142 142 GLU N N 117.2 0.2 1 1287 143 143 THR H H 7.59 0.02 1 1288 143 143 THR HB H 4.11 0.02 1 1289 143 143 THR HG1 H 4.10 0.02 1 1290 143 143 THR HG2 H 0.39 0.02 1 1291 143 143 THR C C 175.6 0.2 1 1292 143 143 THR CA C 62.6 0.2 1 1293 143 143 THR CB C 69.5 0.2 1 1294 143 143 THR CG2 C 20.8 0.2 1 1295 143 143 THR N N 107.7 0.2 1 1296 144 144 GLN H H 7.72 0.02 1 1297 144 144 GLN HA H 4.27 0.02 1 1298 144 144 GLN HB2 H 2.13 0.02 2 1299 144 144 GLN HB3 H 2.13 0.02 2 1300 144 144 GLN HG2 H 2.43 0.02 2 1301 144 144 GLN HG3 H 2.43 0.02 2 1302 144 144 GLN HE21 H 7.49 0.02 2 1303 144 144 GLN HE22 H 6.86 0.02 2 1304 144 144 GLN CA C 56.4 0.2 1 1305 144 144 GLN CB C 29.0 0.2 1 1306 144 144 GLN CG C 33.9 0.2 1 1307 144 144 GLN N N 120.8 0.2 1 1308 144 144 GLN NE2 N 112.3 0.2 1 1309 145 145 ALA H H 8.03 0.02 1 1310 145 145 ALA HA H 4.28 0.02 1 1311 145 145 ALA HB H 1.43 0.02 1 1312 145 145 ALA CA C 52.9 0.2 1 1313 145 145 ALA CB C 19.0 0.2 1 1314 145 145 ALA N N 123.6 0.2 1 1315 146 146 ARG H H 8.23 0.02 1 1316 146 146 ARG HA H 4.35 0.02 1 1317 146 146 ARG HB2 H 1.90 0.02 2 1318 146 146 ARG HB3 H 1.81 0.02 2 1319 146 146 ARG HG2 H 1.68 0.02 2 1320 146 146 ARG HG3 H 1.68 0.02 2 1321 146 146 ARG HD2 H 3.21 0.02 2 1322 146 146 ARG HD3 H 3.21 0.02 2 1323 146 146 ARG CA C 55.9 0.2 1 1324 146 146 ARG CB C 30.5 0.2 1 1325 146 146 ARG CG C 27.1 0.2 1 1326 146 146 ARG CD C 43.2 0.2 1 1327 146 146 ARG N N 119.8 0.2 1 1328 147 147 ARG H H 8.41 0.02 1 1329 147 147 ARG HA H 4.36 0.02 1 1330 147 147 ARG HB2 H 1.90 0.02 2 1331 147 147 ARG HB3 H 1.82 0.02 2 1332 147 147 ARG HG2 H 1.67 0.02 2 1333 147 147 ARG HG3 H 1.67 0.02 2 1334 147 147 ARG HD2 H 3.21 0.02 2 1335 147 147 ARG HD3 H 3.21 0.02 2 1336 147 147 ARG CA C 56.2 0.2 1 1337 147 147 ARG CB C 30.7 0.2 1 1338 147 147 ARG CG C 26.9 0.2 1 1339 147 147 ARG CD C 43.1 0.2 1 1340 147 147 ARG N N 122.7 0.2 1 1341 148 148 GLY H H 8.47 0.02 1 1342 148 148 GLY HA2 H 3.95 0.02 2 1343 148 148 GLY HA3 H 3.95 0.02 2 1344 148 148 GLY CA C 45.2 0.2 1 1345 148 148 GLY N N 122.4 0.2 1 1346 149 149 ALA H H 7.90 0.02 1 1347 149 149 ALA HA H 4.11 0.02 1 1348 149 149 ALA HB H 1.34 0.02 1 1349 149 149 ALA CA C 53.8 0.2 1 1350 149 149 ALA CB C 20.1 0.2 1 1351 149 149 ALA N N 129.2 0.2 1 stop_ save_