data_25476 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Solution NMR structure of Salmonella typhimurium transcriptional regulator protein Crl ; _BMRB_accession_number 25476 _BMRB_flat_file_name bmr25476.str _Entry_type original _Submission_date 2015-02-07 _Accession_date 2015-02-07 _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 Cavaliere Paola . . 2 Levi-Acobas Fabienne . . 3 Monteil Veronique . . 4 Bellalou Jacques . . 5 Mayer Claudine . . 6 Norel Francoise . . 7 Sizun Christina . . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 787 "13C chemical shifts" 570 "15N chemical shifts" 131 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2015-12-21 original BMRB . stop_ _Original_release_date 2015-12-21 save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full . _Citation_title ; Binding interface between the Salmonella sigma (S)/RpoS subunit of RNA polymerase and Crl: hints from bacterial species lacking crl ; _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 26338235 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Cavaliere Paola . . 2 Sizun Christina . . 3 Levi-Acobas Fabienne . . 4 Nowakowski Mireille . . 5 Monteil Veronique . . 6 Bontems Francois . . 7 Bellalou Jacques . . 8 Mayer Claudine . . 9 Norel Francoise . . stop_ _Journal_abbreviation 'Sci. Rep.' _Journal_volume 5 _Journal_issue . _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 13564 _Page_last 13564 _Year 2015 _Details . save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name His_ST-Crl _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label 'Salmonella typhimurium Crl' $His_ST-Crl stop_ _System_molecular_weight 18144.396 _System_physical_state native _System_oligomer_state ? _System_paramagnetic no _System_thiol_state 'all free' _Database_query_date . _Details . save_ ######################## # Monomeric polymers # ######################## save_His_ST-Crl _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common His_ST-Crl _Molecular_mass 18144.396 _Mol_thiol_state 'all free' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 154 _Mol_residue_sequence ; HHHHHHSSGTGSGENLYFQG HMTLPSGHPKSRLIKKFTAL GPYIREGQCEDNRFFFDCLA VCVNVKPAPEKREFWGWWME LEAQEKRFTYRYQFGLFDKE GNWTVVPINETEVVERLEYT LREFHEKLRDLLISMELALE PSDDFNDEPVKLSA ; loop_ _Residue_seq_code _Residue_author_seq_code _Residue_label 1 -20 HIS 2 -19 HIS 3 -18 HIS 4 -17 HIS 5 -16 HIS 6 -15 HIS 7 -14 SER 8 -13 SER 9 -12 GLY 10 -11 THR 11 -10 GLY 12 -9 SER 13 -8 GLY 14 -7 GLU 15 -6 ASN 16 -5 LEU 17 -4 TYR 18 -3 PHE 19 -2 GLN 20 -1 GLY 21 0 HIS 22 1 MET 23 2 THR 24 3 LEU 25 4 PRO 26 5 SER 27 6 GLY 28 7 HIS 29 8 PRO 30 9 LYS 31 10 SER 32 11 ARG 33 12 LEU 34 13 ILE 35 14 LYS 36 15 LYS 37 16 PHE 38 17 THR 39 18 ALA 40 19 LEU 41 20 GLY 42 21 PRO 43 22 TYR 44 23 ILE 45 24 ARG 46 25 GLU 47 26 GLY 48 27 GLN 49 28 CYS 50 29 GLU 51 30 ASP 52 31 ASN 53 32 ARG 54 33 PHE 55 34 PHE 56 35 PHE 57 36 ASP 58 37 CYS 59 38 LEU 60 39 ALA 61 40 VAL 62 41 CYS 63 42 VAL 64 43 ASN 65 44 VAL 66 45 LYS 67 46 PRO 68 47 ALA 69 48 PRO 70 49 GLU 71 50 LYS 72 51 ARG 73 52 GLU 74 53 PHE 75 54 TRP 76 55 GLY 77 56 TRP 78 57 TRP 79 58 MET 80 59 GLU 81 60 LEU 82 61 GLU 83 62 ALA 84 63 GLN 85 64 GLU 86 65 LYS 87 66 ARG 88 67 PHE 89 68 THR 90 69 TYR 91 70 ARG 92 71 TYR 93 72 GLN 94 73 PHE 95 74 GLY 96 75 LEU 97 76 PHE 98 77 ASP 99 78 LYS 100 79 GLU 101 80 GLY 102 81 ASN 103 82 TRP 104 83 THR 105 84 VAL 106 85 VAL 107 86 PRO 108 87 ILE 109 88 ASN 110 89 GLU 111 90 THR 112 91 GLU 113 92 VAL 114 93 VAL 115 94 GLU 116 95 ARG 117 96 LEU 118 97 GLU 119 98 TYR 120 99 THR 121 100 LEU 122 101 ARG 123 102 GLU 124 103 PHE 125 104 HIS 126 105 GLU 127 106 LYS 128 107 LEU 129 108 ARG 130 109 ASP 131 110 LEU 132 111 LEU 133 112 ILE 134 113 SER 135 114 MET 136 115 GLU 137 116 LEU 138 117 ALA 139 118 LEU 140 119 GLU 141 120 PRO 142 121 SER 143 122 ASP 144 123 ASP 145 124 PHE 146 125 ASN 147 126 ASP 148 127 GLU 149 128 PRO 150 129 VAL 151 130 LYS 152 131 LEU 153 132 SER 154 133 ALA stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date . 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 UniProt Q7CR52 Q7CR52 . . . . . 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 _ATCC_number $His_ST-Crl 'Salmonella enterica subsp. enterica serovar Typhimurium str. LT2' 99287 Bacteria . Salmonella enterica LT2 14028 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 $His_ST-Crl 'recombinant technology' 'Escherichia coli' Escherichia coli BL21(DE3) pETM11 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_15N-Crl _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $His_ST-Crl 0.3 mM '[U-98% 15N]' 'Sodium phosphate' 50.0 mM 'natural abundance' 'Sodium chloride' 300.0 mM 'natural abundance' Dithiotreitol 2.0 mM 'natural abundance' D2O 7 % 'natural abundance' H2O 93 % 'natural abundance' stop_ save_ save_15N13C-Crl _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $His_ST-Crl 0.25 mM '[U-98% 13C; U-98% 15N]' 'Sodium phosphate' 50.0 mM 'natural abundance' 'Sodium chloride' 300.0 mM 'natural abundance' Dithiotreitol 2.0 mM 'natural abundance' D2O 7 % 'natural abundance' H2O 93 % 'natural abundance' stop_ save_ save_15N13C-Crl-D2O _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $His_ST-Crl 0.35 mM '[U-98% 13C; U-98% 15N]' 'Sodium phosphate' 50.0 mM 'natural abundance' 'Sodium chloride' 300.0 mM 'natural abundance' Dithiotreitol 2.0 mM 'natural abundance' D2O 100 % 'natural abundance' stop_ save_ save_15N13C2H-Crl _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $His_ST-Crl 0.300 mM '[U-100% 13C; U-100% 15N; U-80% 2H]' 'Sodium phosphate' 50.000 mM 'natural abundance' 'Sodium chloride' 300.000 mM 'natural abundance' Dithiotreitol 2.0 mM 'natural abundance' D2O 7 % 'natural abundance' H2O 93 % 'natural abundance' stop_ save_ ############################ # Computer software used # ############################ save_CcpNmr_Analysis _Saveframe_category software _Name CcpNmr_Analysis _Version 2.2 loop_ _Vendor _Address _Electronic_address CCPN 'Department of Biochemistry, Cambridge CB2 1GA, UK' http://www.ccpn.ac.uk stop_ loop_ _Task 'NMR data analysis' stop_ _Details 'The CCPN NMR assignment and data analysis application' save_ save_Cyana _Saveframe_category software _Name Cyana _Version 2.2 loop_ _Vendor _Address _Electronic_address 'L.A. Systems' 'Peter Guentert Group, University of Frankfurt, Frankfurt am Main' http://www.las.jp/english/products/cyana.html stop_ loop_ _Task 'NMR structure calculation' stop_ _Details 'NMR structure calculation by torsion angle dynamics' save_ save_NMRPipe _Saveframe_category software _Name NMRPipe _Version 1.0 loop_ _Vendor _Address _Electronic_address 'NIDDKD NIH' 'Ad Bax Group, The National Institute of Diabetes and Digestive and Kidney Diseases, Bethesda, MD 20892-2560' http://spin.niddk.nih.gov/NMRPipe/ stop_ loop_ _Task 'NMR data processing' stop_ _Details 'NMRPipe Spectral Processing and Analysis System' save_ save_Talos-N _Saveframe_category software _Name Talos-N _Version 1.0 loop_ _Vendor _Address _Electronic_address 'NIDDKD NIH' 'Ad Bax Group, The National Institute of Diabetes and Digestive and Kidney Diseases, Bethesda, MD 20892-2560' http://spin.niddk.nih.gov/bax/nmrserver/talosn/ stop_ loop_ _Task 'Dihedral Angles' stop_ _Details 'Prediction of Protein Backbone and Sidechain Torsion Angles from Chemical Shifts' save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model Avance _Field_strength 800 _Details . save_ ############################# # NMR applied experiments # ############################# save_2D_1H-15N_HSQC_1 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-15N HSQC' _Sample_label $15N-Crl save_ save_3D_1H-15N_NOESY_2 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-15N NOESY' _Sample_label $15N-Crl save_ save_2D_1H-15N_HSQC_3 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-15N HSQC' _Sample_label $15N-Crl save_ save_2D_1H-15N_HSQC_4 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-15N HSQC' _Sample_label $15N13C-Crl save_ save_3D_HNCACB_5 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCACB' _Sample_label $15N13C-Crl save_ save_2D_1H-15N_HSQC_6 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-15N HSQC' _Sample_label $15N13C-Crl save_ save_3D_HNCA_7 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCA' _Sample_label $15N13C-Crl save_ save_3D_HN(CO)CA_8 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HN(CO)CA' _Sample_label $15N13C-Crl save_ save_3D_CBCA(CO)NH_9 _Saveframe_category NMR_applied_experiment _Experiment_name '3D CBCA(CO)NH' _Sample_label $15N13C-Crl save_ save_3D_HNCO_10 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCO' _Sample_label $15N13C-Crl save_ save_2D_1H-15N_HSQC_11 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-15N HSQC' _Sample_label $15N13C2H-Crl save_ save_3D_HNCO_12 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCO' _Sample_label $15N13C2H-Crl save_ save_3D_HN(CA)CO_13 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HN(CA)CO' _Sample_label $15N13C2H-Crl save_ save_3D_HNCA_14 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCA' _Sample_label $15N13C2H-Crl save_ save_3D_HN(CO)CA_15 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HN(CO)CA' _Sample_label $15N13C2H-Crl save_ save_2D_1H-13C_HSQC_16 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-13C HSQC' _Sample_label $15N13C-Crl-D2O save_ save_3D_hCCH-TOCSY_17 _Saveframe_category NMR_applied_experiment _Experiment_name '3D hCCH-TOCSY' _Sample_label $15N13C-Crl-D2O save_ save_3D_1H-13C_NOESY_18 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-13C NOESY' _Sample_label $15N13C-Crl-D2O save_ save_2D_1H-1H_NOESY_19 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-1H NOESY' _Sample_label $15N13C-Crl-D2O save_ ####################### # Sample conditions # ####################### save_pH8 _Saveframe_category sample_conditions _Details . loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units 'ionic strength' 0.300 . M pH 8.000 . pH pressure 1.000 . atm temperature 293.000 . K stop_ save_ save_pH6-5 _Saveframe_category sample_conditions _Details . loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units 'ionic strength' 0.300 . M pH 6.500 . pH pressure 1.000 . atm temperature 293.000 . 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 TSP C 13 'methyl protons' ppm 0.0 . indirect . . . 0.251449530 DSS H 1 'methyl protons' ppm 0.00 internal direct . . . 1.000000000 TSP N 15 'methyl protons' ppm 0.0 . 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 _Saveframe_category assigned_chemical_shifts _Details . loop_ _Software_label $CcpNmr_Analysis stop_ loop_ _Experiment_label '2D 1H-15N HSQC' '3D 1H-15N NOESY' '3D HNCA' '3D HN(CO)CA' '3D CBCA(CO)NH' '3D HNCO' '3D HN(CA)CO' '2D 1H-13C HSQC' '3D hCCH-TOCSY' '3D 1H-13C NOESY' '2D 1H-1H NOESY' stop_ loop_ _Sample_label $15N-Crl $15N13C-Crl $15N13C2H-Crl $15N13C-Crl-D2O stop_ _Sample_conditions_label $pH8 _Chem_shift_reference_set_label $chemical_shift_reference_1 _Mol_system_component_name 'Salmonella typhimurium Crl' _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 -16 5 HIS HA H 4.59 0.02 1 2 -16 5 HIS HB2 H 3.03 0.02 2 3 -16 5 HIS HB3 H 3.08 0.02 2 4 -16 5 HIS HD2 H 6.91 0.02 1 5 -16 5 HIS CA C 56.50 0.25 1 6 -16 5 HIS CB C 31.05 0.25 1 7 -15 6 HIS HA H 4.54 0.02 1 8 -15 6 HIS HB2 H 2.94 0.02 2 9 -15 6 HIS HB3 H 2.97 0.02 2 10 -15 6 HIS HD2 H 6.82 0.02 1 11 -15 6 HIS HE1 H 7.65 0.02 1 12 -15 6 HIS CA C 56.37 0.25 1 13 -15 6 HIS CB C 30.98 0.25 1 14 -15 6 HIS CD2 C 119.28 0.25 1 15 -15 6 HIS CE1 C 138.45 0.25 1 16 -14 7 SER HA H 4.44 0.02 1 17 -14 7 SER HB2 H 3.79 0.02 2 18 -14 7 SER HB3 H 3.82 0.02 2 19 -14 7 SER CA C 58.26 0.25 1 20 -14 7 SER CB C 63.45 0.25 1 21 -13 8 SER H H 8.57 0.02 1 22 -13 8 SER HA H 4.52 0.02 1 23 -13 8 SER HB2 H 3.87 0.02 2 24 -13 8 SER HB3 H 3.84 0.02 2 25 -13 8 SER CA C 58.06 0.25 1 26 -13 8 SER CB C 63.69 0.25 1 27 -13 8 SER N N 118.69 0.15 1 28 -12 9 GLY H H 8.53 0.02 1 29 -12 9 GLY HA2 H 4.08 0.02 1 30 -12 9 GLY HA3 H 4.08 0.02 1 31 -12 9 GLY CA C 45.26 0.25 1 32 -12 9 GLY N N 111.39 0.15 1 33 -11 10 THR H H 8.23 0.02 1 34 -11 10 THR HA H 4.38 0.02 1 35 -11 10 THR HB H 4.29 0.02 1 36 -11 10 THR HG2 H 1.20 0.02 1 37 -11 10 THR CA C 61.78 0.25 1 38 -11 10 THR CB C 69.61 0.25 1 39 -11 10 THR CG2 C 21.39 0.25 1 40 -11 10 THR N N 113.67 0.15 1 41 -10 11 GLY H H 8.59 0.02 1 42 -10 11 GLY HA2 H 4.05 0.02 1 43 -10 11 GLY HA3 H 4.05 0.02 1 44 -10 11 GLY CA C 45.21 0.25 1 45 -10 11 GLY N N 112.16 0.15 1 46 -9 12 SER H H 8.38 0.02 1 47 -9 12 SER HA H 4.49 0.02 1 48 -9 12 SER HB2 H 3.89 0.02 2 49 -9 12 SER HB3 H 3.92 0.02 2 50 -9 12 SER CA C 58.38 0.25 1 51 -9 12 SER CB C 63.62 0.25 1 52 -9 12 SER N N 116.39 0.15 1 53 -8 13 GLY H H 8.59 0.02 1 54 -8 13 GLY HA2 H 3.98 0.02 2 55 -8 13 GLY HA3 H 4.00 0.02 2 56 -8 13 GLY C C 174.20 0.25 1 57 -8 13 GLY CA C 45.34 0.25 1 58 -8 13 GLY N N 111.70 0.15 1 59 -7 14 GLU H H 8.33 0.02 1 60 -7 14 GLU HA H 4.26 0.02 1 61 -7 14 GLU HB2 H 2.04 0.02 2 62 -7 14 GLU HB3 H 1.92 0.02 2 63 -7 14 GLU HG2 H 2.24 0.02 2 64 -7 14 GLU HG3 H 2.22 0.02 2 65 -7 14 GLU C C 176.14 0.25 1 66 -7 14 GLU CA C 56.55 0.25 1 67 -7 14 GLU CB C 30.16 0.25 1 68 -7 14 GLU CG C 36.15 0.25 1 69 -7 14 GLU N N 121.11 0.15 1 70 -6 15 ASN H H 8.53 0.02 1 71 -6 15 ASN HA H 4.66 0.02 1 72 -6 15 ASN HB2 H 2.79 0.02 2 73 -6 15 ASN HB3 H 2.72 0.02 2 74 -6 15 ASN HD21 H 6.86 0.02 1 75 -6 15 ASN HD22 H 7.54 0.02 1 76 -6 15 ASN C C 174.93 0.25 1 77 -6 15 ASN CA C 53.21 0.25 1 78 -6 15 ASN CB C 38.55 0.25 1 79 -6 15 ASN N N 119.88 0.15 1 80 -6 15 ASN ND2 N 113.06 0.15 1 81 -5 16 LEU H H 8.17 0.02 1 82 -5 16 LEU HA H 4.23 0.02 1 83 -5 16 LEU HB2 H 1.47 0.02 2 84 -5 16 LEU HB3 H 1.33 0.02 2 85 -5 16 LEU HG H 1.46 0.02 1 86 -5 16 LEU HD1 H 0.79 0.02 2 87 -5 16 LEU HD2 H 0.86 0.02 2 88 -5 16 LEU C C 176.97 0.25 1 89 -5 16 LEU CA C 55.33 0.25 1 90 -5 16 LEU CB C 42.12 0.25 1 91 -5 16 LEU CG C 26.73 0.25 1 92 -5 16 LEU CD1 C 23.24 0.25 2 93 -5 16 LEU CD2 C 24.78 0.25 2 94 -5 16 LEU N N 122.88 0.15 1 95 -4 17 TYR H H 8.12 0.02 1 96 -4 17 TYR HA H 4.56 0.02 1 97 -4 17 TYR HB2 H 2.98 0.02 2 98 -4 17 TYR HB3 H 2.84 0.02 2 99 -4 17 TYR HD1 H 7.04 0.02 3 100 -4 17 TYR HD2 H 7.04 0.02 3 101 -4 17 TYR HE1 H 6.79 0.02 3 102 -4 17 TYR HE2 H 6.79 0.02 3 103 -4 17 TYR C C 175.63 0.25 1 104 -4 17 TYR CA C 57.67 0.25 1 105 -4 17 TYR CB C 38.72 0.25 1 106 -4 17 TYR CD1 C 133.18 0.25 3 107 -4 17 TYR CD2 C 133.18 0.25 3 108 -4 17 TYR CE1 C 118.01 0.25 3 109 -4 17 TYR CE2 C 118.01 0.25 3 110 -4 17 TYR N N 120.35 0.15 1 111 -3 18 PHE H H 8.22 0.02 1 112 -3 18 PHE HA H 4.54 0.02 1 113 -3 18 PHE HB2 H 3.06 0.02 2 114 -3 18 PHE HB3 H 3.06 0.02 2 115 -3 18 PHE HD1 H 7.24 0.02 3 116 -3 18 PHE HD2 H 7.24 0.02 3 117 -3 18 PHE HE1 H 7.32 0.02 3 118 -3 18 PHE HE2 H 7.32 0.02 3 119 -3 18 PHE HZ H 7.26 0.02 1 120 -3 18 PHE C C 174.44 0.25 1 121 -3 18 PHE CA C 57.81 0.25 1 122 -3 18 PHE CB C 39.39 0.25 1 123 -3 18 PHE CD1 C 131.68 0.25 3 124 -3 18 PHE CD2 C 131.68 0.25 3 125 -3 18 PHE CE1 C 131.51 0.25 3 126 -3 18 PHE CE2 C 131.51 0.25 3 127 -3 18 PHE CZ C 129.94 0.25 1 128 -3 18 PHE N N 122.65 0.15 1 129 -2 19 GLN H H 8.34 0.02 1 130 -2 19 GLN HA H 4.18 0.02 1 131 -2 19 GLN HB2 H 2.10 0.02 2 132 -2 19 GLN HB3 H 1.88 0.02 2 133 -2 19 GLN HG2 H 2.13 0.02 2 134 -2 19 GLN HG3 H 2.25 0.02 2 135 -2 19 GLN CA C 55.89 0.25 1 136 -2 19 GLN CB C 28.81 0.25 1 137 -2 19 GLN CG C 33.60 0.25 1 138 -2 19 GLN N N 122.49 0.15 1 139 -1 20 GLY H H 7.91 0.02 1 140 -1 20 GLY HA2 H 3.94 0.02 2 141 -1 20 GLY HA3 H 3.95 0.02 2 142 -1 20 GLY CA C 45.30 0.25 1 143 -1 20 GLY N N 108.87 0.15 1 144 0 21 HIS H H 8.29 0.02 1 145 0 21 HIS HA H 4.51 0.02 1 146 0 21 HIS HB2 H 2.91 0.02 2 147 0 21 HIS HB3 H 3.00 0.02 2 148 0 21 HIS HD2 H 6.81 0.02 1 149 0 21 HIS HE1 H 7.73 0.02 1 150 0 21 HIS CA C 56.30 0.25 1 151 0 21 HIS CB C 31.04 0.25 1 152 0 21 HIS CD2 C 119.40 0.25 1 153 0 21 HIS CE1 C 138.57 0.25 1 154 0 21 HIS N N 119.00 0.15 1 155 1 22 MET HA H 4.48 0.02 1 156 1 22 MET HB2 H 2.44 0.02 2 157 1 22 MET HB3 H 2.50 0.02 2 158 1 22 MET HG2 H 2.09 0.02 2 159 1 22 MET HG3 H 2.10 0.02 2 160 1 22 MET HE H 2.09 0.02 1 161 1 22 MET C C 176.11 0.25 1 162 1 22 MET CA C 56.04 0.25 1 163 1 22 MET CB C 32.11 0.25 1 164 1 22 MET CG C 32.88 0.25 1 165 1 22 MET CE C 17.25 0.25 1 166 2 23 THR H H 8.47 0.02 1 167 2 23 THR HA H 4.55 0.02 1 168 2 23 THR HB H 3.98 0.02 1 169 2 23 THR HG2 H 1.17 0.02 1 170 2 23 THR C C 174.15 0.25 1 171 2 23 THR CA C 61.60 0.25 1 172 2 23 THR CB C 69.97 0.25 1 173 2 23 THR CG2 C 21.78 0.25 1 174 2 23 THR N N 118.28 0.15 1 175 3 24 LEU H H 8.58 0.02 1 176 3 24 LEU HA H 4.66 0.02 1 177 3 24 LEU HB2 H 1.92 0.02 1 178 3 24 LEU HG H 1.51 0.02 1 179 3 24 LEU HD1 H 1.16 0.02 2 180 3 24 LEU HD2 H 1.17 0.02 2 181 3 24 LEU C C 176.69 0.25 1 182 3 24 LEU CA C 53.54 0.25 1 183 3 24 LEU CB C 40.05 0.25 1 184 3 24 LEU CG C 27.41 0.25 1 185 3 24 LEU CD1 C 22.43 0.25 2 186 3 24 LEU CD2 C 26.68 0.25 2 187 3 24 LEU N N 125.13 0.15 1 188 4 25 PRO HA H 4.36 0.02 1 189 4 25 PRO HD3 H 3.58 0.02 1 190 4 25 PRO CA C 65.47 0.25 1 191 4 25 PRO CB C 31.89 0.25 1 192 4 25 PRO CG C 28.05 0.25 1 193 5 26 SER HA H 4.58 0.02 1 194 5 26 SER HB2 H 4.11 0.02 2 195 5 26 SER HB3 H 4.45 0.02 2 196 5 26 SER C C 175.51 0.25 1 197 5 26 SER CA C 59.41 0.25 1 198 5 26 SER CB C 63.11 0.25 1 199 6 27 GLY H H 8.62 0.02 1 200 6 27 GLY HA2 H 4.29 0.02 2 201 6 27 GLY HA3 H 3.55 0.02 2 202 6 27 GLY C C 173.30 0.25 1 203 6 27 GLY CA C 44.53 0.25 1 204 6 27 GLY N N 112.01 0.15 1 205 7 28 HIS H H 7.17 0.02 1 206 7 28 HIS HA H 4.68 0.02 1 207 7 28 HIS HB2 H 3.15 0.02 2 208 7 28 HIS HB3 H 3.09 0.02 2 209 7 28 HIS HD2 H 7.00 0.02 1 210 7 28 HIS HE1 H 7.87 0.02 1 211 7 28 HIS CA C 56.34 0.25 1 212 7 28 HIS CB C 31.03 0.25 1 213 7 28 HIS CD2 C 119.24 0.25 1 214 7 28 HIS CE1 C 138.41 0.25 1 215 7 28 HIS N N 119.44 0.15 1 216 8 29 PRO HA H 4.79 0.02 1 217 8 29 PRO HB2 H 2.50 0.02 2 218 8 29 PRO HB3 H 2.00 0.02 2 219 8 29 PRO C C 178.14 0.25 1 220 8 29 PRO CA C 62.85 0.25 1 221 8 29 PRO CB C 31.98 0.25 1 222 9 30 LYS H H 9.00 0.02 1 223 9 30 LYS HA H 4.17 0.02 1 224 9 30 LYS C C 178.05 0.25 1 225 9 30 LYS CA C 60.83 0.25 1 226 9 30 LYS N N 127.57 0.15 1 227 10 31 SER H H 9.17 0.02 1 228 10 31 SER HA H 4.12 0.02 1 229 10 31 SER C C 176.75 0.25 1 230 10 31 SER CA C 61.05 0.25 1 231 10 31 SER N N 113.61 0.15 1 232 11 32 ARG H H 7.10 0.02 1 233 11 32 ARG HA H 4.15 0.02 1 234 11 32 ARG HB2 H 2.04 0.02 2 235 11 32 ARG HB3 H 1.93 0.02 2 236 11 32 ARG HG2 H 1.78 0.02 2 237 11 32 ARG HG3 H 1.56 0.02 2 238 11 32 ARG HD2 H 3.27 0.02 2 239 11 32 ARG HD3 H 3.24 0.02 2 240 11 32 ARG C C 177.89 0.25 1 241 11 32 ARG CA C 58.28 0.25 1 242 11 32 ARG CB C 30.01 0.25 1 243 11 32 ARG CG C 27.00 0.25 1 244 11 32 ARG CD C 43.25 0.25 1 245 11 32 ARG N N 122.22 0.15 1 246 12 33 LEU H H 7.22 0.02 1 247 12 33 LEU HA H 3.57 0.02 1 248 12 33 LEU HB2 H 1.62 0.02 2 249 12 33 LEU HB3 H 1.03 0.02 2 250 12 33 LEU HG H 1.22 0.02 1 251 12 33 LEU HD1 H 0.27 0.02 2 252 12 33 LEU HD2 H 0.46 0.02 2 253 12 33 LEU C C 177.89 0.25 1 254 12 33 LEU CA C 56.00 0.25 1 255 12 33 LEU CB C 39.44 0.25 1 256 12 33 LEU CG C 27.82 0.25 1 257 12 33 LEU CD1 C 23.40 0.25 2 258 12 33 LEU CD2 C 24.37 0.25 2 259 12 33 LEU N N 121.36 0.15 1 260 13 34 ILE H H 8.59 0.02 1 261 13 34 ILE HA H 3.77 0.02 1 262 13 34 ILE HB H 2.13 0.02 1 263 13 34 ILE HG12 H 1.57 0.02 2 264 13 34 ILE HG13 H 1.99 0.02 2 265 13 34 ILE HG2 H 1.01 0.02 1 266 13 34 ILE HD1 H 1.12 0.02 1 267 13 34 ILE C C 179.06 0.25 1 268 13 34 ILE CA C 65.13 0.25 1 269 13 34 ILE CB C 36.43 0.25 1 270 13 34 ILE CG1 C 29.18 0.25 1 271 13 34 ILE CG2 C 16.93 0.25 1 272 13 34 ILE CD1 C 12.29 0.25 1 273 13 34 ILE N N 118.92 0.15 1 274 14 35 LYS H H 7.73 0.02 1 275 14 35 LYS HA H 4.13 0.02 1 276 14 35 LYS HB2 H 2.00 0.02 2 277 14 35 LYS HB3 H 2.01 0.02 2 278 14 35 LYS HG2 H 1.49 0.02 2 279 14 35 LYS HG3 H 1.62 0.02 2 280 14 35 LYS HD2 H 1.76 0.02 2 281 14 35 LYS HD3 H 1.75 0.02 2 282 14 35 LYS HE3 H 3.02 0.02 1 283 14 35 LYS C C 179.81 0.25 1 284 14 35 LYS CA C 60.06 0.25 1 285 14 35 LYS CB C 32.08 0.25 1 286 14 35 LYS CG C 25.09 0.25 1 287 14 35 LYS CD C 29.12 0.25 1 288 14 35 LYS CE C 41.80 0.25 1 289 14 35 LYS N N 121.95 0.15 1 290 15 36 LYS H H 7.80 0.02 1 291 15 36 LYS HA H 4.12 0.02 1 292 15 36 LYS HB2 H 1.75 0.02 2 293 15 36 LYS HB3 H 1.61 0.02 2 294 15 36 LYS HG2 H 1.54 0.02 2 295 15 36 LYS HG3 H 1.52 0.02 2 296 15 36 LYS HD2 H 1.46 0.02 2 297 15 36 LYS HD3 H 1.58 0.02 2 298 15 36 LYS HE2 H 2.83 0.02 2 299 15 36 LYS HE3 H 2.92 0.02 2 300 15 36 LYS C C 179.70 0.25 1 301 15 36 LYS CA C 58.73 0.25 1 302 15 36 LYS CB C 31.95 0.25 1 303 15 36 LYS CG C 24.97 0.25 1 304 15 36 LYS CD C 28.59 0.25 1 305 15 36 LYS CE C 41.65 0.25 1 306 15 36 LYS N N 119.75 0.15 1 307 16 37 PHE H H 9.13 0.02 1 308 16 37 PHE HA H 4.76 0.02 1 309 16 37 PHE HB2 H 3.42 0.02 2 310 16 37 PHE HB3 H 3.50 0.02 2 311 16 37 PHE HD1 H 6.78 0.02 3 312 16 37 PHE HD2 H 6.78 0.02 3 313 16 37 PHE HE1 H 6.07 0.02 3 314 16 37 PHE HE2 H 6.07 0.02 3 315 16 37 PHE HZ H 6.58 0.02 1 316 16 37 PHE C C 180.96 0.25 1 317 16 37 PHE CA C 56.64 0.25 1 318 16 37 PHE CB C 38.80 0.25 1 319 16 37 PHE CD1 C 129.47 0.25 3 320 16 37 PHE CD2 C 129.47 0.25 3 321 16 37 PHE CE1 C 130.46 0.25 3 322 16 37 PHE CE2 C 130.46 0.25 3 323 16 37 PHE N N 117.66 0.15 1 324 17 38 THR H H 8.94 0.02 1 325 17 38 THR HA H 4.37 0.02 1 326 17 38 THR HB H 4.51 0.02 1 327 17 38 THR HG2 H 1.44 0.02 1 328 17 38 THR C C 175.55 0.25 1 329 17 38 THR CA C 66.84 0.25 1 330 17 38 THR CB C 68.92 0.25 1 331 17 38 THR CG2 C 21.09 0.25 1 332 17 38 THR N N 120.13 0.15 1 333 18 39 ALA H H 7.31 0.02 1 334 18 39 ALA HA H 4.38 0.02 1 335 18 39 ALA HB H 1.64 0.02 1 336 18 39 ALA C C 178.11 0.25 1 337 18 39 ALA CA C 53.39 0.25 1 338 18 39 ALA CB C 18.30 0.25 1 339 18 39 ALA N N 122.17 0.15 1 340 19 40 LEU H H 7.58 0.02 1 341 19 40 LEU HA H 4.37 0.02 1 342 19 40 LEU HB2 H 1.69 0.02 2 343 19 40 LEU HB3 H 2.47 0.02 2 344 19 40 LEU HG H 2.23 0.02 1 345 19 40 LEU HD1 H 0.84 0.02 2 346 19 40 LEU HD2 H 0.82 0.02 2 347 19 40 LEU C C 176.62 0.25 1 348 19 40 LEU CA C 56.63 0.25 1 349 19 40 LEU CB C 42.42 0.25 1 350 19 40 LEU CG C 26.48 0.25 1 351 19 40 LEU CD1 C 26.60 0.25 2 352 19 40 LEU CD2 C 22.76 0.25 2 353 19 40 LEU N N 116.08 0.15 1 354 20 41 GLY H H 7.65 0.02 1 355 20 41 GLY HA2 H 5.00 0.02 2 356 20 41 GLY HA3 H 3.95 0.02 2 357 20 41 GLY CA C 44.06 0.25 1 358 20 41 GLY N N 103.28 0.15 1 359 21 42 PRO HA H 4.87 0.02 1 360 21 42 PRO HB2 H 2.23 0.02 2 361 21 42 PRO HB3 H 2.10 0.02 2 362 21 42 PRO HG2 H 1.84 0.02 1 363 21 42 PRO HD2 H 3.06 0.02 2 364 21 42 PRO HD3 H 3.44 0.02 2 365 21 42 PRO C C 174.85 0.25 1 366 21 42 PRO CA C 63.14 0.25 1 367 21 42 PRO CB C 28.90 0.25 1 368 21 42 PRO CD C 48.99 0.25 1 369 22 43 TYR H H 7.68 0.02 1 370 22 43 TYR HA H 5.18 0.02 1 371 22 43 TYR HB2 H 2.78 0.02 2 372 22 43 TYR HB3 H 3.17 0.02 2 373 22 43 TYR HD1 H 6.79 0.02 3 374 22 43 TYR HD2 H 6.79 0.02 3 375 22 43 TYR C C 176.34 0.25 1 376 22 43 TYR CA C 57.78 0.25 1 377 22 43 TYR CB C 41.50 0.25 1 378 22 43 TYR N N 120.69 0.15 1 379 23 44 ILE H H 8.86 0.02 1 380 23 44 ILE HA H 4.12 0.02 1 381 23 44 ILE HB H 1.82 0.02 1 382 23 44 ILE HG12 H 0.95 0.02 2 383 23 44 ILE HG13 H 1.06 0.02 2 384 23 44 ILE HG2 H 1.10 0.02 1 385 23 44 ILE HD1 H 1.21 0.02 1 386 23 44 ILE C C 174.21 0.25 1 387 23 44 ILE CA C 61.83 0.25 1 388 23 44 ILE CB C 38.50 0.25 1 389 23 44 ILE CG1 C 29.66 0.25 1 390 23 44 ILE CG2 C 15.24 0.25 1 391 23 44 ILE CD1 C 16.69 0.25 1 392 23 44 ILE N N 119.13 0.15 1 393 24 45 ARG H H 8.10 0.02 1 394 24 45 ARG HD2 H 3.00 0.02 2 395 24 45 ARG HD3 H 2.68 0.02 2 396 24 45 ARG C C 177.29 0.25 1 397 24 45 ARG CA C 52.09 0.25 1 398 24 45 ARG CD C 44.23 0.25 1 399 24 45 ARG N N 126.54 0.15 1 400 25 46 GLU H H 9.40 0.02 1 401 25 46 GLU HA H 4.10 0.02 1 402 25 46 GLU HB2 H 2.10 0.02 2 403 25 46 GLU HB3 H 2.10 0.02 2 404 25 46 GLU HG2 H 2.30 0.02 2 405 25 46 GLU HG3 H 2.29 0.02 2 406 25 46 GLU C C 176.78 0.25 1 407 25 46 GLU CA C 60.86 0.25 1 408 25 46 GLU CB C 29.65 0.25 1 409 25 46 GLU CG C 36.79 0.25 1 410 25 46 GLU N N 126.99 0.15 1 411 26 47 GLY H H 8.07 0.02 1 412 26 47 GLY HA2 H 3.79 0.02 2 413 26 47 GLY HA3 H 3.93 0.02 2 414 26 47 GLY C C 174.38 0.25 1 415 26 47 GLY CA C 45.52 0.25 1 416 26 47 GLY N N 109.83 0.15 1 417 27 48 GLN H H 7.69 0.02 1 418 27 48 GLN HA H 4.31 0.02 1 419 27 48 GLN HG2 H 2.38 0.02 2 420 27 48 GLN HG3 H 2.05 0.02 2 421 27 48 GLN C C 175.35 0.25 1 422 27 48 GLN CA C 55.32 0.25 1 423 27 48 GLN CB C 29.34 0.25 1 424 27 48 GLN CG C 33.68 0.25 1 425 27 48 GLN CD C 179.15 0.25 1 426 27 48 GLN N N 117.67 0.15 1 427 28 49 CYS H H 7.51 0.02 1 428 28 49 CYS HA H 4.54 0.02 1 429 28 49 CYS HB2 H 2.67 0.02 2 430 28 49 CYS HB3 H 2.74 0.02 2 431 28 49 CYS C C 173.48 0.25 1 432 28 49 CYS CA C 58.81 0.25 1 433 28 49 CYS CB C 27.07 0.25 1 434 28 49 CYS N N 119.77 0.15 1 435 29 50 GLU H H 7.84 0.02 1 436 29 50 GLU HA H 4.54 0.02 1 437 29 50 GLU HB2 H 1.81 0.02 2 438 29 50 GLU HB3 H 2.00 0.02 2 439 29 50 GLU HG2 H 2.30 0.02 2 440 29 50 GLU HG3 H 2.31 0.02 2 441 29 50 GLU C C 174.81 0.25 1 442 29 50 GLU CA C 55.56 0.25 1 443 29 50 GLU CB C 30.03 0.25 1 444 29 50 GLU CG C 36.27 0.25 1 445 29 50 GLU N N 124.37 0.15 1 446 31 52 ASN HA H 4.58 0.02 1 447 31 52 ASN HB2 H 2.65 0.02 2 448 31 52 ASN HB3 H 2.73 0.02 2 449 31 52 ASN HD21 H 7.38 0.02 1 450 31 52 ASN HD22 H 6.63 0.02 1 451 31 52 ASN CA C 53.45 0.25 1 452 31 52 ASN CB C 39.20 0.25 1 453 31 52 ASN ND2 N 110.98 0.15 1 454 32 53 ARG HA H 5.51 0.02 1 455 32 53 ARG HB2 H 1.17 0.02 2 456 32 53 ARG HB3 H 1.40 0.02 2 457 32 53 ARG HG2 H 1.23 0.02 2 458 32 53 ARG HG3 H 1.33 0.02 2 459 32 53 ARG HD2 H 3.06 0.02 2 460 32 53 ARG HD3 H 3.15 0.02 2 461 32 53 ARG CA C 55.05 0.25 1 462 32 53 ARG CB C 33.48 0.25 1 463 32 53 ARG CG C 26.79 0.25 1 464 32 53 ARG CD C 42.95 0.25 1 465 33 54 PHE HD1 H 7.42 0.02 3 466 33 54 PHE HD2 H 7.42 0.02 3 467 33 54 PHE HE1 H 7.37 0.02 3 468 33 54 PHE HE2 H 7.37 0.02 3 469 34 55 PHE HA H 5.24 0.02 1 470 34 55 PHE HB2 H 2.83 0.02 2 471 34 55 PHE HB3 H 2.93 0.02 2 472 34 55 PHE HD1 H 7.07 0.02 3 473 34 55 PHE HD2 H 7.07 0.02 3 474 34 55 PHE C C 172.21 0.25 1 475 34 55 PHE CA C 57.69 0.25 1 476 34 55 PHE CB C 44.10 0.25 1 477 35 56 PHE H H 8.66 0.02 1 478 35 56 PHE HA H 5.17 0.02 1 479 35 56 PHE HB2 H 2.64 0.02 2 480 35 56 PHE HB3 H 2.82 0.02 2 481 35 56 PHE HD1 H 7.08 0.02 3 482 35 56 PHE HD2 H 7.08 0.02 3 483 35 56 PHE HE1 H 6.08 0.02 3 484 35 56 PHE HE2 H 6.08 0.02 3 485 35 56 PHE HZ H 6.88 0.02 1 486 35 56 PHE C C 173.11 0.25 1 487 35 56 PHE CA C 54.86 0.25 1 488 35 56 PHE CB C 43.25 0.25 1 489 35 56 PHE N N 125.80 0.15 1 490 36 57 ASP H H 9.37 0.02 1 491 36 57 ASP HA H 4.58 0.02 1 492 36 57 ASP HB2 H 2.68 0.02 2 493 36 57 ASP HB3 H 2.60 0.02 2 494 36 57 ASP CA C 54.16 0.25 1 495 36 57 ASP CB C 41.03 0.25 1 496 36 57 ASP N N 120.96 0.15 1 497 37 58 CYS HA H 3.99 0.02 1 498 37 58 CYS HB2 H 2.61 0.02 2 499 37 58 CYS HB3 H 3.35 0.02 2 500 37 58 CYS C C 173.46 0.25 1 501 37 58 CYS CA C 57.61 0.25 1 502 37 58 CYS CB C 27.17 0.25 1 503 38 59 LEU H H 8.43 0.02 1 504 38 59 LEU HA H 4.21 0.02 1 505 38 59 LEU HB2 H 1.14 0.02 2 506 38 59 LEU HB3 H 0.31 0.02 2 507 38 59 LEU HG H 0.93 0.02 1 508 38 59 LEU HD1 H -0.17 0.02 2 509 38 59 LEU HD2 H -0.05 0.02 2 510 38 59 LEU C C 175.57 0.25 1 511 38 59 LEU CA C 53.53 0.25 1 512 38 59 LEU CB C 37.27 0.25 1 513 38 59 LEU CG C 26.96 0.25 1 514 38 59 LEU CD1 C 23.90 0.25 2 515 38 59 LEU CD2 C 23.73 0.25 2 516 38 59 LEU N N 131.89 0.15 1 517 39 60 ALA H H 7.96 0.02 1 518 39 60 ALA HA H 4.34 0.02 1 519 39 60 ALA HB H 1.67 0.02 1 520 39 60 ALA C C 178.50 0.25 1 521 39 60 ALA CA C 55.38 0.25 1 522 39 60 ALA CB C 21.11 0.25 1 523 39 60 ALA N N 127.10 0.15 1 524 40 61 VAL H H 8.59 0.02 1 525 40 61 VAL HA H 4.62 0.02 1 526 40 61 VAL HB H 2.42 0.02 1 527 40 61 VAL HG1 H 1.25 0.02 2 528 40 61 VAL HG2 H 1.14 0.02 2 529 40 61 VAL C C 173.99 0.25 1 530 40 61 VAL CA C 60.94 0.25 1 531 40 61 VAL CB C 36.48 0.25 1 532 40 61 VAL CG1 C 21.03 0.25 2 533 40 61 VAL CG2 C 21.31 0.25 2 534 40 61 VAL N N 116.26 0.15 1 535 41 62 CYS HA H 3.88 0.02 1 536 41 62 CYS HB2 H 2.86 0.02 2 537 41 62 CYS HB3 H 2.47 0.02 2 538 41 62 CYS C C 174.64 0.25 1 539 41 62 CYS CA C 59.28 0.25 1 540 41 62 CYS CB C 26.70 0.25 1 541 42 63 VAL H H 8.61 0.02 1 542 42 63 VAL HA H 3.48 0.02 1 543 42 63 VAL HB H 1.59 0.02 1 544 42 63 VAL HG1 H 0.67 0.02 2 545 42 63 VAL HG2 H -0.20 0.02 2 546 42 63 VAL C C 176.27 0.25 1 547 42 63 VAL CA C 65.39 0.25 1 548 42 63 VAL CB C 31.84 0.25 1 549 42 63 VAL CG1 C 20.45 0.25 2 550 42 63 VAL CG2 C 20.50 0.25 2 551 42 63 VAL N N 131.32 0.15 1 552 43 64 ASN H H 7.28 0.02 1 553 43 64 ASN HA H 4.79 0.02 1 554 43 64 ASN HB2 H 2.93 0.02 2 555 43 64 ASN HB3 H 2.53 0.02 2 556 43 64 ASN C C 175.16 0.25 1 557 43 64 ASN CA C 52.69 0.25 1 558 43 64 ASN CB C 39.94 0.25 1 559 43 64 ASN N N 116.07 0.15 1 560 44 65 VAL H H 8.52 0.02 1 561 44 65 VAL HA H 4.12 0.02 1 562 44 65 VAL HB H 2.36 0.02 1 563 44 65 VAL HG1 H 0.96 0.02 2 564 44 65 VAL HG2 H 0.92 0.02 2 565 44 65 VAL C C 175.46 0.25 1 566 44 65 VAL CA C 61.93 0.25 1 567 44 65 VAL CB C 31.63 0.25 1 568 44 65 VAL CG1 C 21.01 0.25 2 569 44 65 VAL CG2 C 18.87 0.25 2 570 44 65 VAL N N 121.35 0.15 1 571 45 66 LYS H H 8.10 0.02 1 572 45 66 LYS HA H 4.21 0.02 1 573 45 66 LYS HB2 H 1.79 0.02 2 574 45 66 LYS HB3 H 1.89 0.02 2 575 45 66 LYS HG2 H 1.54 0.02 2 576 45 66 LYS HG3 H 1.42 0.02 2 577 45 66 LYS HD2 H 1.71 0.02 2 578 45 66 LYS HD3 H 1.71 0.02 2 579 45 66 LYS HE2 H 2.98 0.02 2 580 45 66 LYS HE3 H 3.00 0.02 2 581 45 66 LYS CA C 59.08 0.25 1 582 45 66 LYS CB C 30.50 0.25 1 583 45 66 LYS CG C 25.30 0.25 1 584 45 66 LYS CD C 28.80 0.25 1 585 45 66 LYS CE C 41.76 0.25 1 586 45 66 LYS N N 123.19 0.15 1 587 46 67 PRO HA H 4.37 0.02 1 588 46 67 PRO HB2 H 2.21 0.02 2 589 46 67 PRO HB3 H 1.53 0.02 2 590 46 67 PRO HG2 H 1.82 0.02 2 591 46 67 PRO HG3 H 1.86 0.02 2 592 46 67 PRO HD2 H 3.42 0.02 2 593 46 67 PRO HD3 H 3.44 0.02 2 594 46 67 PRO C C 174.38 0.25 1 595 46 67 PRO CA C 63.06 0.25 1 596 46 67 PRO CB C 31.66 0.25 1 597 46 67 PRO CG C 27.68 0.25 1 598 46 67 PRO CD C 50.26 0.25 1 599 47 68 ALA H H 8.30 0.02 1 600 47 68 ALA HA H 4.47 0.02 1 601 47 68 ALA HB H 1.38 0.02 1 602 47 68 ALA C C 176.13 0.25 1 603 47 68 ALA CA C 50.74 0.25 1 604 47 68 ALA CB C 17.30 0.25 1 605 47 68 ALA N N 124.50 0.15 1 606 48 69 PRO HA H 3.81 0.02 1 607 48 69 PRO HB2 H 1.99 0.02 2 608 48 69 PRO HB3 H 2.36 0.02 2 609 48 69 PRO HG2 H 2.23 0.02 2 610 48 69 PRO HG3 H 1.99 0.02 2 611 48 69 PRO HD2 H 3.87 0.02 2 612 48 69 PRO HD3 H 3.76 0.02 2 613 48 69 PRO C C 178.27 0.25 1 614 48 69 PRO CA C 66.15 0.25 1 615 48 69 PRO CB C 31.99 0.25 1 616 48 69 PRO CG C 27.61 0.25 1 617 48 69 PRO CD C 49.93 0.25 1 618 49 70 GLU H H 9.39 0.02 1 619 49 70 GLU HA H 4.29 0.02 1 620 49 70 GLU HB2 H 2.07 0.02 2 621 49 70 GLU HB3 H 2.00 0.02 2 622 49 70 GLU HG2 H 2.21 0.02 2 623 49 70 GLU HG3 H 2.34 0.02 2 624 49 70 GLU C C 176.55 0.25 1 625 49 70 GLU CA C 58.12 0.25 1 626 49 70 GLU CB C 28.29 0.25 1 627 49 70 GLU CG C 36.00 0.25 1 628 49 70 GLU N N 116.30 0.15 1 629 50 71 LYS H H 8.35 0.02 1 630 50 71 LYS HA H 4.46 0.02 1 631 50 71 LYS HB3 H 2.04 0.02 1 632 50 71 LYS HG2 H 1.42 0.02 2 633 50 71 LYS HG3 H 1.28 0.02 2 634 50 71 LYS HD2 H 1.62 0.02 2 635 50 71 LYS HD3 H 1.72 0.02 2 636 50 71 LYS HE2 H 3.03 0.02 2 637 50 71 LYS HE3 H 2.96 0.02 2 638 50 71 LYS C C 175.07 0.25 1 639 50 71 LYS CA C 54.67 0.25 1 640 50 71 LYS CB C 33.17 0.25 1 641 50 71 LYS CG C 25.25 0.25 1 642 50 71 LYS CD C 28.77 0.25 1 643 50 71 LYS CE C 41.88 0.25 1 644 50 71 LYS N N 120.03 0.15 1 645 51 72 ARG H H 7.22 0.02 1 646 51 72 ARG HA H 4.30 0.02 1 647 51 72 ARG HB2 H 1.84 0.02 1 648 51 72 ARG HG2 H 1.48 0.02 1 649 51 72 ARG C C 174.53 0.25 1 650 51 72 ARG CA C 56.69 0.25 1 651 51 72 ARG CB C 32.00 0.25 1 652 51 72 ARG N N 119.72 0.15 1 653 52 73 GLU H H 8.69 0.02 1 654 52 73 GLU HA H 4.69 0.02 1 655 52 73 GLU HB2 H 1.84 0.02 1 656 52 73 GLU HG2 H 2.19 0.02 1 657 52 73 GLU C C 175.26 0.25 1 658 52 73 GLU CA C 54.73 0.25 1 659 52 73 GLU CG C 36.90 0.25 1 660 52 73 GLU N N 119.70 0.15 1 661 53 74 PHE H H 8.59 0.02 1 662 53 74 PHE HA H 5.16 0.02 1 663 53 74 PHE HB2 H 2.63 0.02 2 664 53 74 PHE HB3 H 2.79 0.02 2 665 53 74 PHE HD1 H 6.93 0.02 3 666 53 74 PHE HD2 H 6.93 0.02 3 667 53 74 PHE C C 174.97 0.25 1 668 53 74 PHE CA C 56.96 0.25 1 669 53 74 PHE CB C 44.21 0.25 1 670 53 74 PHE N N 116.95 0.15 1 671 54 75 TRP H H 9.52 0.02 1 672 54 75 TRP HA H 5.90 0.02 1 673 54 75 TRP HB2 H 3.38 0.02 2 674 54 75 TRP HB3 H 3.25 0.02 2 675 54 75 TRP HD1 H 6.96 0.02 1 676 54 75 TRP HE1 H 10.73 0.02 1 677 54 75 TRP HE3 H 7.71 0.02 1 678 54 75 TRP HZ2 H 7.60 0.02 1 679 54 75 TRP HZ3 H 7.10 0.02 1 680 54 75 TRP HH2 H 7.34 0.02 1 681 54 75 TRP C C 177.82 0.25 1 682 54 75 TRP CA C 56.24 0.25 1 683 54 75 TRP CB C 31.87 0.25 1 684 54 75 TRP CD1 C 126.89 0.25 1 685 54 75 TRP CE3 C 121.08 0.25 1 686 54 75 TRP CZ2 C 114.06 0.25 1 687 54 75 TRP CZ3 C 123.06 0.25 1 688 54 75 TRP CH2 C 124.29 0.25 1 689 54 75 TRP N N 123.10 0.15 1 690 54 75 TRP NE1 N 130.16 0.15 1 691 55 76 GLY H H 9.55 0.02 1 692 55 76 GLY HA2 H 4.16 0.02 2 693 55 76 GLY HA3 H 5.45 0.02 2 694 55 76 GLY CA C 47.24 0.25 1 695 55 76 GLY N N 110.84 0.15 1 696 56 77 TRP HD1 H 6.72 0.02 1 697 56 77 TRP HE1 H 10.10 0.02 1 698 56 77 TRP HZ2 H 7.03 0.02 1 699 56 77 TRP CD1 C 127.96 0.25 1 700 56 77 TRP CZ2 C 113.80 0.25 1 701 56 77 TRP NE1 N 130.55 0.15 1 702 57 78 TRP HA H 5.21 0.02 1 703 57 78 TRP HE1 H 10.01 0.02 1 704 57 78 TRP HZ2 H 7.26 0.02 1 705 57 78 TRP HH2 H 6.94 0.02 1 706 57 78 TRP CA C 57.70 0.25 1 707 57 78 TRP CZ2 C 113.53 0.25 1 708 57 78 TRP CH2 C 123.55 0.25 1 709 57 78 TRP NE1 N 128.03 0.15 1 710 58 79 MET H H 9.68 0.02 1 711 58 79 MET HA H 4.37 0.02 1 712 58 79 MET HB2 H 2.11 0.02 2 713 58 79 MET HB3 H 2.11 0.02 2 714 58 79 MET HG2 H 1.83 0.02 2 715 58 79 MET HG3 H 1.95 0.02 2 716 58 79 MET HE H 1.31 0.02 1 717 58 79 MET CA C 55.23 0.25 1 718 58 79 MET CB C 35.91 0.25 1 719 58 79 MET CG C 32.28 0.25 1 720 58 79 MET CE C 16.52 0.25 1 721 58 79 MET N N 122.63 0.15 1 722 59 80 GLU HA H 5.43 0.02 1 723 59 80 GLU C C 175.57 0.25 1 724 59 80 GLU CA C 54.26 0.25 1 725 60 81 LEU H H 9.61 0.02 1 726 60 81 LEU HA H 6.06 0.02 1 727 60 81 LEU HB2 H 1.87 0.02 2 728 60 81 LEU HB3 H 2.23 0.02 2 729 60 81 LEU HD1 H 1.92 0.02 2 730 60 81 LEU HD2 H 0.81 0.02 2 731 60 81 LEU C C 176.47 0.25 1 732 60 81 LEU CA C 52.61 0.25 1 733 60 81 LEU CB C 47.48 0.25 1 734 60 81 LEU CD1 C 28.60 0.25 2 735 60 81 LEU CD2 C 26.18 0.25 2 736 60 81 LEU N N 126.92 0.15 1 737 61 82 GLU H H 9.07 0.02 1 738 61 82 GLU HA H 5.18 0.02 1 739 61 82 GLU HB2 H 1.90 0.02 2 740 61 82 GLU HB3 H 2.24 0.02 2 741 61 82 GLU HG2 H 2.23 0.02 2 742 61 82 GLU HG3 H 2.03 0.02 2 743 61 82 GLU C C 174.93 0.25 1 744 61 82 GLU CA C 55.05 0.25 1 745 61 82 GLU CB C 32.20 0.25 1 746 61 82 GLU CG C 37.23 0.25 1 747 61 82 GLU N N 123.56 0.15 1 748 62 83 ALA H H 9.03 0.02 1 749 62 83 ALA HA H 3.12 0.02 1 750 62 83 ALA HB H 1.46 0.02 1 751 62 83 ALA C C 175.76 0.25 1 752 62 83 ALA CA C 52.68 0.25 1 753 62 83 ALA CB C 21.33 0.25 1 754 62 83 ALA N N 129.83 0.15 1 755 63 84 GLN H H 8.17 0.02 1 756 63 84 GLN HA H 4.75 0.02 1 757 63 84 GLN HB2 H 2.14 0.02 1 758 63 84 GLN HG2 H 2.33 0.02 2 759 63 84 GLN HG3 H 2.41 0.02 2 760 63 84 GLN HE21 H 6.94 0.02 1 761 63 84 GLN HE22 H 7.50 0.02 1 762 63 84 GLN C C 175.47 0.25 1 763 63 84 GLN CA C 53.94 0.25 1 764 63 84 GLN CB C 29.65 0.25 1 765 63 84 GLN CG C 33.36 0.25 1 766 63 84 GLN N N 122.55 0.15 1 767 63 84 GLN NE2 N 113.25 0.15 1 768 64 85 GLU H H 8.73 0.02 1 769 64 85 GLU HA H 3.55 0.02 1 770 64 85 GLU HB2 H 2.09 0.02 2 771 64 85 GLU HB3 H 2.03 0.02 2 772 64 85 GLU HG2 H 2.33 0.02 2 773 64 85 GLU HG3 H 2.24 0.02 2 774 64 85 GLU C C 176.74 0.25 1 775 64 85 GLU CA C 61.34 0.25 1 776 64 85 GLU CB C 29.62 0.25 1 777 64 85 GLU CG C 36.68 0.25 1 778 64 85 GLU N N 120.76 0.15 1 779 65 86 LYS H H 8.75 0.02 1 780 65 86 LYS HA H 4.63 0.02 1 781 65 86 LYS HB2 H 1.71 0.02 2 782 65 86 LYS HB3 H 2.19 0.02 2 783 65 86 LYS HG2 H 1.42 0.02 2 784 65 86 LYS HG3 H 1.43 0.02 2 785 65 86 LYS HD2 H 1.73 0.02 2 786 65 86 LYS HD3 H 1.78 0.02 2 787 65 86 LYS HE2 H 3.03 0.02 2 788 65 86 LYS HE3 H 2.96 0.02 2 789 65 86 LYS C C 175.96 0.25 1 790 65 86 LYS CA C 54.79 0.25 1 791 65 86 LYS CB C 33.30 0.25 1 792 65 86 LYS CG C 25.13 0.25 1 793 65 86 LYS CD C 28.70 0.25 1 794 65 86 LYS CE C 41.75 0.25 1 795 65 86 LYS N N 112.82 0.15 1 796 66 87 ARG H H 7.52 0.02 1 797 66 87 ARG HA H 5.30 0.02 1 798 66 87 ARG HB2 H 2.17 0.02 2 799 66 87 ARG HB3 H 1.73 0.02 2 800 66 87 ARG HG2 H 1.97 0.02 2 801 66 87 ARG HG3 H 1.49 0.02 2 802 66 87 ARG HD2 H 3.01 0.02 1 803 66 87 ARG C C 172.98 0.25 1 804 66 87 ARG CA C 53.53 0.25 1 805 66 87 ARG CB C 33.00 0.25 1 806 66 87 ARG N N 115.10 0.15 1 807 67 88 PHE H H 9.22 0.02 1 808 67 88 PHE HA H 5.74 0.02 1 809 67 88 PHE HB2 H 3.10 0.02 2 810 67 88 PHE HB3 H 2.81 0.02 2 811 67 88 PHE HD1 H 7.33 0.02 3 812 67 88 PHE HD2 H 7.33 0.02 3 813 67 88 PHE HE1 H 7.28 0.02 3 814 67 88 PHE HE2 H 7.28 0.02 3 815 67 88 PHE HZ H 7.11 0.02 1 816 67 88 PHE C C 176.04 0.25 1 817 67 88 PHE CA C 56.12 0.25 1 818 67 88 PHE CB C 41.95 0.25 1 819 67 88 PHE N N 119.96 0.15 1 820 68 89 THR H H 9.20 0.02 1 821 68 89 THR HA H 6.31 0.02 1 822 68 89 THR HB H 3.99 0.02 1 823 68 89 THR HG2 H 0.96 0.02 1 824 68 89 THR C C 175.34 0.25 1 825 68 89 THR CA C 57.99 0.25 1 826 68 89 THR CB C 70.26 0.25 1 827 68 89 THR CG2 C 21.20 0.25 1 828 68 89 THR N N 111.03 0.15 1 829 69 90 TYR H H 8.19 0.02 1 830 69 90 TYR HA H 6.09 0.02 1 831 69 90 TYR HB2 H 2.62 0.02 2 832 69 90 TYR HB3 H 2.95 0.02 2 833 69 90 TYR HD1 H 6.61 0.02 3 834 69 90 TYR HD2 H 6.61 0.02 3 835 69 90 TYR C C 173.31 0.25 1 836 69 90 TYR CA C 55.50 0.25 1 837 69 90 TYR CB C 44.60 0.25 1 838 69 90 TYR N N 115.70 0.15 1 839 70 91 ARG H H 8.16 0.02 1 840 70 91 ARG HA H 5.51 0.02 1 841 70 91 ARG HB2 H 2.06 0.02 2 842 70 91 ARG HB3 H 1.94 0.02 2 843 70 91 ARG HG2 H 1.58 0.02 2 844 70 91 ARG HG3 H 1.77 0.02 2 845 70 91 ARG HD2 H 3.26 0.02 2 846 70 91 ARG HD3 H 3.33 0.02 2 847 70 91 ARG HE H 7.50 0.02 1 848 70 91 ARG C C 175.22 0.25 1 849 70 91 ARG CA C 55.15 0.25 1 850 70 91 ARG CB C 32.78 0.25 1 851 70 91 ARG CG C 28.15 0.25 1 852 70 91 ARG CD C 43.23 0.25 1 853 70 91 ARG N N 115.07 0.15 1 854 70 91 ARG NE N 85.02 0.15 1 855 71 92 TYR H H 9.22 0.02 1 856 71 92 TYR HD1 H 7.41 0.02 3 857 71 92 TYR HD2 H 7.41 0.02 3 858 71 92 TYR CA C 56.12 0.25 1 859 71 92 TYR N N 118.75 0.15 1 860 72 93 GLN HA H 4.42 0.02 1 861 72 93 GLN HB2 H 1.70 0.02 1 862 72 93 GLN HG2 H 1.92 0.02 2 863 72 93 GLN HG3 H 2.04 0.02 2 864 72 93 GLN HE21 H 6.33 0.02 1 865 72 93 GLN HE22 H 7.02 0.02 1 866 72 93 GLN CA C 54.85 0.25 1 867 72 93 GLN CB C 30.99 0.25 1 868 72 93 GLN CG C 34.68 0.25 1 869 72 93 GLN NE2 N 111.22 0.15 1 870 73 94 PHE HA H 5.83 0.02 1 871 73 94 PHE HB2 H 3.41 0.02 2 872 73 94 PHE HB3 H 3.35 0.02 2 873 73 94 PHE HD1 H 7.51 0.02 3 874 73 94 PHE HD2 H 7.51 0.02 3 875 73 94 PHE HE1 H 7.12 0.02 3 876 73 94 PHE HE2 H 7.12 0.02 3 877 73 94 PHE HZ H 6.73 0.02 1 878 73 94 PHE C C 177.28 0.25 1 879 73 94 PHE CA C 53.68 0.25 1 880 73 94 PHE CB C 39.80 0.25 1 881 74 95 GLY H H 9.35 0.02 1 882 74 95 GLY HA2 H 4.65 0.02 2 883 74 95 GLY CA C 47.48 0.25 1 884 74 95 GLY N N 108.52 0.15 1 885 75 96 LEU HA H 5.37 0.02 1 886 75 96 LEU HB2 H 1.74 0.02 1 887 75 96 LEU HG H 0.98 0.02 1 888 75 96 LEU HD1 H 0.61 0.02 2 889 75 96 LEU HD2 H 0.12 0.02 2 890 75 96 LEU C C 174.27 0.25 1 891 75 96 LEU CA C 53.79 0.25 1 892 75 96 LEU CB C 46.86 0.25 1 893 75 96 LEU CG C 27.07 0.25 1 894 75 96 LEU CD1 C 25.41 0.25 2 895 75 96 LEU CD2 C 24.35 0.25 2 896 76 97 PHE H H 9.84 0.02 1 897 76 97 PHE HA H 4.34 0.02 1 898 76 97 PHE HB3 H 2.60 0.02 1 899 76 97 PHE HD1 H 5.71 0.02 3 900 76 97 PHE HD2 H 5.71 0.02 3 901 76 97 PHE HE1 H 6.84 0.02 3 902 76 97 PHE HE2 H 6.84 0.02 3 903 76 97 PHE C C 174.69 0.25 1 904 76 97 PHE CA C 56.90 0.25 1 905 76 97 PHE N N 135.23 0.15 1 906 77 98 ASP H H 7.94 0.02 1 907 77 98 ASP HA H 4.33 0.02 1 908 77 98 ASP HB2 H 2.42 0.02 2 909 77 98 ASP HB3 H 3.21 0.02 2 910 77 98 ASP C C 178.31 0.25 1 911 77 98 ASP CA C 52.75 0.25 1 912 77 98 ASP CB C 42.46 0.25 1 913 77 98 ASP N N 125.58 0.15 1 914 78 99 LYS H H 9.03 0.02 1 915 78 99 LYS HA H 4.09 0.02 1 916 78 99 LYS HB3 H 1.63 0.02 1 917 78 99 LYS HG2 H 1.41 0.02 2 918 78 99 LYS HG3 H 1.22 0.02 2 919 78 99 LYS HD3 H 1.61 0.02 1 920 78 99 LYS HE2 H 2.99 0.02 2 921 78 99 LYS HE3 H 3.00 0.02 2 922 78 99 LYS C C 176.91 0.25 1 923 78 99 LYS CA C 57.58 0.25 1 924 78 99 LYS CB C 31.03 0.25 1 925 78 99 LYS CG C 23.28 0.25 1 926 78 99 LYS CD C 29.33 0.25 1 927 78 99 LYS CE C 41.32 0.25 1 928 78 99 LYS N N 116.61 0.15 1 929 79 100 GLU H H 7.85 0.02 1 930 79 100 GLU HA H 4.26 0.02 1 931 79 100 GLU HB2 H 1.80 0.02 2 932 79 100 GLU HB3 H 1.76 0.02 2 933 79 100 GLU HG2 H 2.06 0.02 2 934 79 100 GLU HG3 H 2.12 0.02 2 935 79 100 GLU C C 176.16 0.25 1 936 79 100 GLU CA C 55.33 0.25 1 937 79 100 GLU CB C 29.42 0.25 1 938 79 100 GLU CG C 36.66 0.25 1 939 79 100 GLU N N 120.51 0.15 1 940 80 101 GLY H H 7.80 0.02 1 941 80 101 GLY HA2 H 3.54 0.02 2 942 80 101 GLY HA3 H 2.58 0.02 2 943 80 101 GLY C C 172.82 0.25 1 944 80 101 GLY CA C 45.38 0.25 1 945 80 101 GLY N N 109.61 0.15 1 946 81 102 ASN H H 7.56 0.02 1 947 81 102 ASN HA H 4.71 0.02 1 948 81 102 ASN HB2 H 2.35 0.02 2 949 81 102 ASN HB3 H 2.62 0.02 2 950 81 102 ASN HD21 H 6.85 0.02 1 951 81 102 ASN HD22 H 8.07 0.02 1 952 81 102 ASN C C 174.11 0.25 1 953 81 102 ASN CA C 51.16 0.25 1 954 81 102 ASN CB C 40.16 0.25 1 955 81 102 ASN N N 117.68 0.15 1 956 81 102 ASN ND2 N 118.16 0.15 1 957 82 103 TRP H H 8.48 0.02 1 958 82 103 TRP HA H 5.15 0.02 1 959 82 103 TRP HE1 H 11.60 0.02 1 960 82 103 TRP HZ3 H 7.00 0.02 1 961 82 103 TRP HH2 H 7.73 0.02 1 962 82 103 TRP C C 177.48 0.25 1 963 82 103 TRP CA C 57.26 0.25 1 964 82 103 TRP N N 122.87 0.15 1 965 82 103 TRP NE1 N 132.21 0.15 1 966 83 104 THR H H 9.28 0.02 1 967 83 104 THR HA H 4.82 0.02 1 968 83 104 THR HB H 4.13 0.02 1 969 83 104 THR HG2 H 1.23 0.02 1 970 83 104 THR C C 173.63 0.25 1 971 83 104 THR CA C 60.47 0.25 1 972 83 104 THR CB C 72.05 0.25 1 973 83 104 THR CG2 C 21.83 0.25 1 974 83 104 THR N N 118.05 0.15 1 975 84 105 VAL H H 9.10 0.02 1 976 84 105 VAL HA H 4.53 0.02 1 977 84 105 VAL HB H 2.29 0.02 1 978 84 105 VAL HG1 H 1.35 0.02 2 979 84 105 VAL HG2 H 1.16 0.02 2 980 84 105 VAL C C 175.44 0.25 1 981 84 105 VAL CA C 64.28 0.25 1 982 84 105 VAL CB C 31.63 0.25 1 983 84 105 VAL CG1 C 22.01 0.25 2 984 84 105 VAL CG2 C 21.30 0.25 2 985 84 105 VAL N N 125.99 0.15 1 986 85 106 VAL H H 7.43 0.02 1 987 85 106 VAL HA H 4.97 0.02 1 988 85 106 VAL HB H 2.40 0.02 1 989 85 106 VAL HG1 H 1.17 0.02 2 990 85 106 VAL HG2 H 1.22 0.02 2 991 85 106 VAL CA C 58.05 0.25 1 992 85 106 VAL CB C 35.19 0.25 1 993 85 106 VAL CG1 C 20.57 0.25 2 994 85 106 VAL CG2 C 21.91 0.25 2 995 85 106 VAL N N 124.64 0.15 1 996 86 107 PRO HA H 4.48 0.02 1 997 86 107 PRO HB2 H 1.90 0.02 2 998 86 107 PRO HB3 H 2.36 0.02 2 999 86 107 PRO HG2 H 2.06 0.02 2 1000 86 107 PRO HG3 H 2.20 0.02 2 1001 86 107 PRO HD2 H 3.84 0.02 2 1002 86 107 PRO HD3 H 3.95 0.02 2 1003 86 107 PRO C C 175.97 0.25 1 1004 86 107 PRO CA C 62.92 0.25 1 1005 86 107 PRO CB C 31.93 0.25 1 1006 86 107 PRO CG C 27.67 0.25 1 1007 86 107 PRO CD C 50.75 0.25 1 1008 87 108 ILE H H 8.50 0.02 1 1009 87 108 ILE HA H 3.92 0.02 1 1010 87 108 ILE HB H 1.73 0.02 1 1011 87 108 ILE HG12 H 1.03 0.02 2 1012 87 108 ILE HG13 H 1.66 0.02 2 1013 87 108 ILE HG2 H 0.34 0.02 1 1014 87 108 ILE HD1 H 0.93 0.02 1 1015 87 108 ILE C C 175.51 0.25 1 1016 87 108 ILE CA C 60.12 0.25 1 1017 87 108 ILE CB C 37.55 0.25 1 1018 87 108 ILE CG1 C 26.80 0.25 1 1019 87 108 ILE CG2 C 18.28 0.25 1 1020 87 108 ILE CD1 C 13.76 0.25 1 1021 87 108 ILE N N 123.98 0.15 1 1022 88 109 ASN H H 8.39 0.02 1 1023 88 109 ASN HA H 4.36 0.02 1 1024 88 109 ASN HB2 H 2.69 0.02 2 1025 88 109 ASN HB3 H 2.62 0.02 2 1026 88 109 ASN CA C 52.21 0.25 1 1027 88 109 ASN CB C 37.74 0.25 1 1028 88 109 ASN N N 119.05 0.15 1 1029 90 111 THR HA H 3.80 0.02 1 1030 90 111 THR HB H 4.12 0.02 1 1031 90 111 THR HG2 H 1.27 0.02 1 1032 90 111 THR C C 175.86 0.25 1 1033 90 111 THR CA C 66.30 0.25 1 1034 90 111 THR CB C 68.38 0.25 1 1035 90 111 THR CG2 C 21.82 0.25 1 1036 91 112 GLU H H 9.44 0.02 1 1037 91 112 GLU HA H 4.11 0.02 1 1038 91 112 GLU HB2 H 2.01 0.02 2 1039 91 112 GLU HB3 H 2.05 0.02 2 1040 91 112 GLU HG2 H 2.35 0.02 2 1041 91 112 GLU HG3 H 2.33 0.02 2 1042 91 112 GLU C C 179.32 0.25 1 1043 91 112 GLU CA C 59.46 0.25 1 1044 91 112 GLU CB C 29.04 0.25 1 1045 91 112 GLU CG C 36.60 0.25 1 1046 91 112 GLU N N 120.43 0.15 1 1047 92 113 VAL H H 7.01 0.02 1 1048 92 113 VAL HA H 3.62 0.02 1 1049 92 113 VAL HB H 1.85 0.02 1 1050 92 113 VAL HG1 H 0.76 0.02 2 1051 92 113 VAL HG2 H 0.42 0.02 2 1052 92 113 VAL C C 177.27 0.25 1 1053 92 113 VAL CA C 65.95 0.25 1 1054 92 113 VAL CB C 31.48 0.25 1 1055 92 113 VAL CG1 C 22.32 0.25 2 1056 92 113 VAL CG2 C 22.14 0.25 2 1057 92 113 VAL N N 119.81 0.15 1 1058 93 114 VAL H H 7.72 0.02 1 1059 93 114 VAL HA H 3.29 0.02 1 1060 93 114 VAL HB H 2.10 0.02 1 1061 93 114 VAL HG1 H 0.99 0.02 2 1062 93 114 VAL HG2 H 0.93 0.02 2 1063 93 114 VAL C C 177.97 0.25 1 1064 93 114 VAL CA C 67.35 0.25 1 1065 93 114 VAL CB C 31.46 0.25 1 1066 93 114 VAL CG1 C 21.26 0.25 2 1067 93 114 VAL CG2 C 22.89 0.25 2 1068 93 114 VAL N N 120.57 0.15 1 1069 94 115 GLU H H 8.32 0.02 1 1070 94 115 GLU HA H 4.11 0.02 1 1071 94 115 GLU HB3 H 2.08 0.02 1 1072 94 115 GLU HG2 H 2.26 0.02 2 1073 94 115 GLU HG3 H 2.48 0.02 2 1074 94 115 GLU C C 179.42 0.25 1 1075 94 115 GLU CA C 59.65 0.25 1 1076 94 115 GLU CB C 29.39 0.25 1 1077 94 115 GLU CG C 36.57 0.25 1 1078 94 115 GLU N N 118.10 0.15 1 1079 95 116 ARG H H 7.35 0.02 1 1080 95 116 ARG HA H 4.37 0.02 1 1081 95 116 ARG HB2 H 2.03 0.02 2 1082 95 116 ARG HB3 H 2.06 0.02 2 1083 95 116 ARG HG2 H 1.89 0.02 2 1084 95 116 ARG HG3 H 1.77 0.02 2 1085 95 116 ARG HD2 H 3.22 0.02 2 1086 95 116 ARG HD3 H 3.39 0.02 2 1087 95 116 ARG C C 179.51 0.25 1 1088 95 116 ARG CA C 57.54 0.25 1 1089 95 116 ARG CB C 29.62 0.25 1 1090 95 116 ARG CG C 26.38 0.25 1 1091 95 116 ARG CD C 42.71 0.25 1 1092 95 116 ARG N N 120.33 0.15 1 1093 96 117 LEU H H 8.60 0.02 1 1094 96 117 LEU HA H 3.83 0.02 1 1095 96 117 LEU HB2 H 1.54 0.02 1 1096 96 117 LEU HD1 H 0.81 0.02 1 1097 96 117 LEU C C 177.60 0.25 1 1098 96 117 LEU CA C 59.29 0.25 1 1099 96 117 LEU CB C 39.60 0.25 1 1100 96 117 LEU CG C 28.73 0.25 1 1101 96 117 LEU CD1 C 24.51 0.25 1 1102 96 117 LEU N N 124.60 0.15 1 1103 97 118 GLU H H 8.54 0.02 1 1104 97 118 GLU HA H 3.74 0.02 1 1105 97 118 GLU HB2 H 2.11 0.02 2 1106 97 118 GLU HB3 H 2.05 0.02 2 1107 97 118 GLU HG2 H 2.34 0.02 2 1108 97 118 GLU HG3 H 2.22 0.02 2 1109 97 118 GLU C C 177.63 0.25 1 1110 97 118 GLU CA C 60.44 0.25 1 1111 97 118 GLU CB C 28.22 0.25 1 1112 97 118 GLU CG C 36.24 0.25 1 1113 97 118 GLU N N 118.19 0.15 1 1114 98 119 TYR H H 8.38 0.02 1 1115 98 119 TYR HA H 4.07 0.02 1 1116 98 119 TYR HB2 H 3.17 0.02 2 1117 98 119 TYR HB3 H 3.36 0.02 2 1118 98 119 TYR HD1 H 7.08 0.02 3 1119 98 119 TYR HD2 H 7.08 0.02 3 1120 98 119 TYR HE1 H 6.87 0.02 3 1121 98 119 TYR HE2 H 6.87 0.02 3 1122 98 119 TYR C C 179.01 0.25 1 1123 98 119 TYR CA C 62.12 0.25 1 1124 98 119 TYR CB C 38.79 0.25 1 1125 98 119 TYR CD1 C 133.21 0.25 3 1126 98 119 TYR CD2 C 133.21 0.25 3 1127 98 119 TYR CE1 C 118.31 0.25 3 1128 98 119 TYR CE2 C 118.31 0.25 3 1129 98 119 TYR N N 119.16 0.15 1 1130 99 120 THR H H 8.48 0.02 1 1131 99 120 THR HA H 4.31 0.02 1 1132 99 120 THR HB H 4.87 0.02 1 1133 99 120 THR HG2 H 1.72 0.02 1 1134 99 120 THR C C 178.32 0.25 1 1135 99 120 THR CA C 64.89 0.25 1 1136 99 120 THR CB C 69.81 0.25 1 1137 99 120 THR CG2 C 22.69 0.25 1 1138 99 120 THR N N 109.22 0.15 1 1139 100 121 LEU H H 8.20 0.02 1 1140 100 121 LEU HA H 3.54 0.02 1 1141 100 121 LEU HB2 H 0.29 0.02 2 1142 100 121 LEU HB3 H 1.43 0.02 2 1143 100 121 LEU HG H 0.49 0.02 1 1144 100 121 LEU HD1 H -0.97 0.02 2 1145 100 121 LEU HD2 H -0.43 0.02 2 1146 100 121 LEU C C 177.87 0.25 1 1147 100 121 LEU CA C 58.20 0.25 1 1148 100 121 LEU CB C 41.46 0.25 1 1149 100 121 LEU CG C 25.54 0.25 1 1150 100 121 LEU CD1 C 20.25 0.25 2 1151 100 121 LEU CD2 C 25.61 0.25 2 1152 100 121 LEU N N 128.25 0.15 1 1153 101 122 ARG H H 8.44 0.02 1 1154 101 122 ARG HA H 3.61 0.02 1 1155 101 122 ARG HB2 H 1.68 0.02 1 1156 101 122 ARG HG2 H 1.28 0.02 1 1157 101 122 ARG C C 178.93 0.25 1 1158 101 122 ARG CA C 60.46 0.25 1 1159 101 122 ARG CB C 29.29 0.25 1 1160 101 122 ARG N N 118.55 0.15 1 1161 102 123 GLU H H 7.97 0.02 1 1162 102 123 GLU HA H 3.92 0.02 1 1163 102 123 GLU HB2 H 2.04 0.02 2 1164 102 123 GLU HB3 H 1.88 0.02 2 1165 102 123 GLU HG2 H 2.08 0.02 2 1166 102 123 GLU HG3 H 2.24 0.02 2 1167 102 123 GLU C C 178.36 0.25 1 1168 102 123 GLU CA C 58.95 0.25 1 1169 102 123 GLU CB C 30.02 0.25 1 1170 102 123 GLU CG C 36.20 0.25 1 1171 102 123 GLU N N 119.76 0.15 1 1172 103 124 PHE H H 7.63 0.02 1 1173 103 124 PHE HA H 3.92 0.02 1 1174 103 124 PHE HB2 H 2.95 0.02 2 1175 103 124 PHE HB3 H 2.75 0.02 2 1176 103 124 PHE HD1 H 6.07 0.02 3 1177 103 124 PHE HD2 H 6.07 0.02 3 1178 103 124 PHE HE1 H 6.57 0.02 3 1179 103 124 PHE HE2 H 6.57 0.02 3 1180 103 124 PHE C C 175.35 0.25 1 1181 103 124 PHE CA C 60.80 0.25 1 1182 103 124 PHE CB C 39.54 0.25 1 1183 103 124 PHE N N 119.57 0.15 1 1184 104 125 HIS H H 8.80 0.02 1 1185 104 125 HIS HA H 3.03 0.02 1 1186 104 125 HIS HB2 H 2.38 0.02 2 1187 104 125 HIS HB3 H 2.79 0.02 2 1188 104 125 HIS HE1 H 7.95 0.02 1 1189 104 125 HIS C C 175.46 0.25 1 1190 104 125 HIS CA C 60.71 0.25 1 1191 104 125 HIS CB C 31.73 0.25 1 1192 104 125 HIS N N 119.16 0.15 1 1193 105 126 GLU H H 7.89 0.02 1 1194 105 126 GLU HA H 3.44 0.02 1 1195 105 126 GLU HB2 H 2.02 0.02 2 1196 105 126 GLU HB3 H 1.93 0.02 2 1197 105 126 GLU HG2 H 2.14 0.02 2 1198 105 126 GLU HG3 H 2.30 0.02 2 1199 105 126 GLU C C 177.99 0.25 1 1200 105 126 GLU CA C 59.61 0.25 1 1201 105 126 GLU CB C 29.30 0.25 1 1202 105 126 GLU CG C 36.18 0.25 1 1203 105 126 GLU N N 117.90 0.15 1 1204 106 127 LYS H H 6.87 0.02 1 1205 106 127 LYS HA H 3.97 0.02 1 1206 106 127 LYS HB2 H 1.73 0.02 2 1207 106 127 LYS HB3 H 1.73 0.02 2 1208 106 127 LYS HG2 H 1.73 0.02 2 1209 106 127 LYS HG3 H 1.56 0.02 2 1210 106 127 LYS HD2 H 1.85 0.02 2 1211 106 127 LYS HD3 H 1.78 0.02 2 1212 106 127 LYS HE2 H 3.07 0.02 2 1213 106 127 LYS HE3 H 3.15 0.02 2 1214 106 127 LYS C C 179.57 0.25 1 1215 106 127 LYS CA C 58.71 0.25 1 1216 106 127 LYS CB C 32.78 0.25 1 1217 106 127 LYS CG C 25.13 0.25 1 1218 106 127 LYS CD C 29.63 0.25 1 1219 106 127 LYS CE C 41.97 0.25 1 1220 106 127 LYS N N 117.26 0.15 1 1221 107 128 LEU H H 8.02 0.02 1 1222 107 128 LEU HA H 3.45 0.02 1 1223 107 128 LEU HB2 H 0.81 0.02 2 1224 107 128 LEU HB3 H 0.12 0.02 2 1225 107 128 LEU HD1 H 0.12 0.02 2 1226 107 128 LEU HD2 H 0.13 0.02 2 1227 107 128 LEU C C 177.17 0.25 1 1228 107 128 LEU CA C 57.34 0.25 1 1229 107 128 LEU CB C 41.24 0.25 1 1230 107 128 LEU CD1 C 26.17 0.25 2 1231 107 128 LEU CD2 C 23.42 0.25 2 1232 107 128 LEU N N 123.18 0.15 1 1233 108 129 ARG H H 8.68 0.02 1 1234 108 129 ARG HA H 3.41 0.02 1 1235 108 129 ARG HB2 H 1.62 0.02 2 1236 108 129 ARG HB3 H 1.68 0.02 2 1237 108 129 ARG HG2 H 1.62 0.02 2 1238 108 129 ARG HG3 H 1.40 0.02 2 1239 108 129 ARG HD2 H 3.25 0.02 2 1240 108 129 ARG HD3 H 3.04 0.02 2 1241 108 129 ARG C C 178.46 0.25 1 1242 108 129 ARG CA C 59.64 0.25 1 1243 108 129 ARG CB C 29.21 0.25 1 1244 108 129 ARG CG C 26.11 0.25 1 1245 108 129 ARG CD C 43.11 0.25 1 1246 108 129 ARG N N 120.07 0.15 1 1247 109 130 ASP H H 7.89 0.02 1 1248 109 130 ASP HA H 4.31 0.02 1 1249 109 130 ASP HB2 H 2.54 0.02 2 1250 109 130 ASP HB3 H 2.65 0.02 2 1251 109 130 ASP C C 178.90 0.25 1 1252 109 130 ASP CA C 57.14 0.25 1 1253 109 130 ASP CB C 39.87 0.25 1 1254 109 130 ASP N N 119.48 0.15 1 1255 110 131 LEU H H 7.65 0.02 1 1256 110 131 LEU HA H 4.10 0.02 1 1257 110 131 LEU HB2 H 1.95 0.02 2 1258 110 131 LEU HB3 H 1.65 0.02 2 1259 110 131 LEU HG H 1.34 0.02 1 1260 110 131 LEU HD1 H 0.78 0.02 2 1261 110 131 LEU HD2 H 0.84 0.02 2 1262 110 131 LEU C C 179.83 0.25 1 1263 110 131 LEU CA C 57.68 0.25 1 1264 110 131 LEU CB C 41.29 0.25 1 1265 110 131 LEU CG C 27.52 0.25 1 1266 110 131 LEU CD1 C 26.62 0.25 2 1267 110 131 LEU CD2 C 23.97 0.25 2 1268 110 131 LEU N N 122.74 0.15 1 1269 111 132 LEU H H 8.32 0.02 1 1270 111 132 LEU HA H 3.83 0.02 1 1271 111 132 LEU HB2 H 1.50 0.02 1 1272 111 132 LEU HD1 H 0.54 0.02 2 1273 111 132 LEU HD2 H 0.29 0.02 2 1274 111 132 LEU C C 179.99 0.25 1 1275 111 132 LEU CA C 58.61 0.25 1 1276 111 132 LEU CB C 39.38 0.25 1 1277 111 132 LEU CD1 C 27.46 0.25 2 1278 111 132 LEU CD2 C 22.55 0.25 2 1279 111 132 LEU N N 122.17 0.15 1 1280 112 133 ILE H H 8.79 0.02 1 1281 112 133 ILE HA H 3.97 0.02 1 1282 112 133 ILE HB H 1.99 0.02 1 1283 112 133 ILE HG12 H 1.72 0.02 2 1284 112 133 ILE HG13 H 1.28 0.02 2 1285 112 133 ILE HG2 H 0.95 0.02 1 1286 112 133 ILE HD1 H 0.88 0.02 1 1287 112 133 ILE C C 180.93 0.25 1 1288 112 133 ILE CA C 64.66 0.25 1 1289 112 133 ILE CB C 37.32 0.25 1 1290 112 133 ILE CG1 C 29.65 0.25 1 1291 112 133 ILE CG2 C 17.40 0.25 1 1292 112 133 ILE CD1 C 13.25 0.25 1 1293 112 133 ILE N N 122.49 0.15 1 1294 113 134 SER H H 7.72 0.02 1 1295 113 134 SER HA H 4.40 0.02 1 1296 113 134 SER HB2 H 4.04 0.02 2 1297 113 134 SER HB3 H 4.08 0.02 2 1298 113 134 SER C C 174.52 0.25 1 1299 113 134 SER CA C 61.39 0.25 1 1300 113 134 SER CB C 62.63 0.25 1 1301 113 134 SER N N 119.86 0.15 1 1302 114 135 MET H H 7.48 0.02 1 1303 114 135 MET HA H 4.53 0.02 1 1304 114 135 MET HB2 H 1.83 0.02 2 1305 114 135 MET HB3 H 2.23 0.02 2 1306 114 135 MET HG3 H 2.42 0.02 1 1307 114 135 MET HE H 1.50 0.02 1 1308 114 135 MET C C 173.85 0.25 1 1309 114 135 MET CA C 55.33 0.25 1 1310 114 135 MET CB C 34.04 0.25 1 1311 114 135 MET CG C 32.01 0.25 1 1312 114 135 MET CE C 16.17 0.25 1 1313 114 135 MET N N 121.89 0.15 1 1314 115 136 GLU H H 8.11 0.02 1 1315 115 136 GLU HA H 3.90 0.02 1 1316 115 136 GLU HB2 H 2.38 0.02 2 1317 115 136 GLU HB3 H 2.32 0.02 2 1318 115 136 GLU HG2 H 2.22 0.02 2 1319 115 136 GLU HG3 H 2.21 0.02 2 1320 115 136 GLU C C 174.88 0.25 1 1321 115 136 GLU CA C 57.27 0.25 1 1322 115 136 GLU CB C 26.51 0.25 1 1323 115 136 GLU CG C 36.84 0.25 1 1324 115 136 GLU N N 114.16 0.15 1 1325 116 137 LEU H H 7.97 0.02 1 1326 116 137 LEU HA H 4.66 0.02 1 1327 116 137 LEU HB2 H 1.12 0.02 2 1328 116 137 LEU HB3 H 1.66 0.02 2 1329 116 137 LEU HG H 1.66 0.02 1 1330 116 137 LEU HD1 H 0.79 0.02 2 1331 116 137 LEU HD2 H 0.94 0.02 2 1332 116 137 LEU C C 174.91 0.25 1 1333 116 137 LEU CA C 53.10 0.25 1 1334 116 137 LEU CB C 45.57 0.25 1 1335 116 137 LEU CG C 25.87 0.25 1 1336 116 137 LEU CD1 C 25.95 0.25 2 1337 116 137 LEU CD2 C 23.41 0.25 2 1338 116 137 LEU N N 119.87 0.15 1 1339 117 138 ALA H H 7.53 0.02 1 1340 117 138 ALA HA H 4.45 0.02 1 1341 117 138 ALA HB H 1.51 0.02 1 1342 117 138 ALA C C 174.87 0.25 1 1343 117 138 ALA CA C 50.87 0.25 1 1344 117 138 ALA CB C 20.70 0.25 1 1345 117 138 ALA N N 123.73 0.15 1 1346 118 139 LEU H H 8.25 0.02 1 1347 118 139 LEU HA H 5.48 0.02 1 1348 118 139 LEU HB2 H 1.78 0.02 2 1349 118 139 LEU HB3 H 1.23 0.02 2 1350 118 139 LEU HD1 H 0.82 0.02 2 1351 118 139 LEU HD2 H 0.33 0.02 2 1352 118 139 LEU C C 175.56 0.25 1 1353 118 139 LEU CA C 53.84 0.25 1 1354 118 139 LEU CB C 43.49 0.25 1 1355 118 139 LEU CD1 C 23.12 0.25 2 1356 118 139 LEU CD2 C 26.46 0.25 2 1357 118 139 LEU N N 121.61 0.15 1 1358 119 140 GLU H H 8.73 0.02 1 1359 119 140 GLU HA H 5.12 0.02 1 1360 119 140 GLU HB2 H 1.54 0.02 2 1361 119 140 GLU HB3 H 2.18 0.02 2 1362 119 140 GLU HG2 H 2.13 0.02 2 1363 119 140 GLU HG3 H 2.41 0.02 2 1364 119 140 GLU C C 171.51 0.25 1 1365 119 140 GLU CA C 52.97 0.25 1 1366 119 140 GLU CB C 32.87 0.25 1 1367 119 140 GLU CG C 36.02 0.25 1 1368 119 140 GLU N N 127.30 0.15 1 1369 120 141 PRO HA H 4.57 0.02 1 1370 120 141 PRO HB3 H 2.05 0.02 1 1371 120 141 PRO HD2 H 3.69 0.02 2 1372 120 141 PRO HD3 H 3.81 0.02 2 1373 120 141 PRO C C 176.42 0.25 1 1374 120 141 PRO CA C 61.76 0.25 1 1375 120 141 PRO CB C 32.39 0.25 1 1376 120 141 PRO CG C 27.32 0.25 1 1377 120 141 PRO CD C 50.58 0.25 1 1378 121 142 SER H H 8.69 0.02 1 1379 121 142 SER HA H 4.06 0.02 1 1380 121 142 SER HB2 H 3.72 0.02 2 1381 121 142 SER HB3 H 3.78 0.02 2 1382 121 142 SER C C 175.15 0.25 1 1383 121 142 SER CA C 59.23 0.25 1 1384 121 142 SER CB C 62.97 0.25 1 1385 121 142 SER N N 117.04 0.15 1 1386 122 143 ASP H H 8.83 0.02 1 1387 122 143 ASP HA H 4.37 0.02 1 1388 122 143 ASP HB2 H 2.76 0.02 2 1389 122 143 ASP HB3 H 2.62 0.02 2 1390 122 143 ASP C C 176.24 0.25 1 1391 122 143 ASP CA C 57.10 0.25 1 1392 122 143 ASP CB C 40.19 0.25 1 1393 122 143 ASP N N 124.14 0.15 1 1394 123 144 ASP H H 8.21 0.02 1 1395 123 144 ASP HA H 4.62 0.02 1 1396 123 144 ASP HB2 H 2.61 0.02 2 1397 123 144 ASP HB3 H 2.91 0.02 2 1398 123 144 ASP C C 174.85 0.25 1 1399 123 144 ASP CA C 52.79 0.25 1 1400 123 144 ASP CB C 40.27 0.25 1 1401 123 144 ASP N N 115.72 0.15 1 1402 124 145 PHE H H 8.06 0.02 1 1403 124 145 PHE HA H 5.03 0.02 1 1404 124 145 PHE HB2 H 3.15 0.02 2 1405 124 145 PHE HB3 H 3.00 0.02 2 1406 124 145 PHE HD1 H 7.44 0.02 3 1407 124 145 PHE HD2 H 7.44 0.02 3 1408 124 145 PHE HE1 H 7.36 0.02 3 1409 124 145 PHE HE2 H 7.36 0.02 3 1410 124 145 PHE C C 174.04 0.25 1 1411 124 145 PHE CA C 56.04 0.25 1 1412 124 145 PHE CB C 42.17 0.25 1 1413 124 145 PHE N N 122.44 0.15 1 1414 125 146 ASN H H 7.70 0.02 1 1415 125 146 ASN HA H 4.74 0.02 1 1416 125 146 ASN HB2 H 2.70 0.02 2 1417 125 146 ASN HB3 H 2.84 0.02 2 1418 125 146 ASN C C 175.07 0.25 1 1419 125 146 ASN CA C 53.43 0.25 1 1420 125 146 ASN CB C 39.73 0.25 1 1421 125 146 ASN N N 126.85 0.15 1 1422 126 147 ASP H H 7.30 0.02 1 1423 126 147 ASP HA H 4.13 0.02 1 1424 126 147 ASP HB2 H 2.76 0.02 2 1425 126 147 ASP HB3 H 2.84 0.02 2 1426 126 147 ASP C C 176.28 0.25 1 1427 126 147 ASP CA C 56.03 0.25 1 1428 126 147 ASP CB C 39.10 0.25 1 1429 126 147 ASP N N 120.33 0.15 1 1430 127 148 GLU H H 8.32 0.02 1 1431 127 148 GLU HA H 4.36 0.02 1 1432 127 148 GLU CA C 55.47 0.25 1 1433 127 148 GLU N N 127.84 0.15 1 1434 128 149 PRO HA H 4.67 0.02 1 1435 128 149 PRO HG2 H 1.99 0.02 1 1436 128 149 PRO HD2 H 3.64 0.02 2 1437 128 149 PRO HD3 H 4.13 0.02 2 1438 128 149 PRO C C 176.01 0.25 1 1439 128 149 PRO CA C 63.63 0.25 1 1440 128 149 PRO CB C 31.94 0.25 1 1441 128 149 PRO CG C 27.71 0.25 1 1442 128 149 PRO CD C 50.84 0.25 1 1443 129 150 VAL H H 7.99 0.02 1 1444 129 150 VAL HA H 3.99 0.02 1 1445 129 150 VAL HB H 1.79 0.02 1 1446 129 150 VAL HG1 H 0.83 0.02 2 1447 129 150 VAL HG2 H 0.60 0.02 2 1448 129 150 VAL C C 173.65 0.25 1 1449 129 150 VAL CA C 60.98 0.25 1 1450 129 150 VAL CB C 32.13 0.25 1 1451 129 150 VAL CG1 C 21.72 0.25 2 1452 129 150 VAL CG2 C 21.48 0.25 2 1453 129 150 VAL N N 122.94 0.15 1 1454 130 151 LYS H H 8.24 0.02 1 1455 130 151 LYS HA H 4.51 0.02 1 1456 130 151 LYS HB2 H 1.71 0.02 2 1457 130 151 LYS HB3 H 1.67 0.02 2 1458 130 151 LYS C C 174.90 0.25 1 1459 130 151 LYS CA C 53.15 0.25 1 1460 130 151 LYS CB C 34.51 0.25 1 1461 130 151 LYS CG C 24.58 0.25 1 1462 130 151 LYS CD C 28.81 0.25 1 1463 130 151 LYS CE C 41.79 0.25 1 1464 130 151 LYS N N 124.62 0.15 1 1465 131 152 LEU HA H 3.80 0.02 1 1466 131 152 LEU HB2 H 1.58 0.02 2 1467 131 152 LEU HB3 H 1.27 0.02 2 1468 131 152 LEU HD1 H 0.10 0.02 2 1469 131 152 LEU HD2 H -0.06 0.02 2 1470 131 152 LEU C C 178.40 0.25 1 1471 131 152 LEU CA C 56.05 0.25 1 1472 131 152 LEU CB C 40.80 0.25 1 1473 131 152 LEU CD1 C 24.88 0.25 2 1474 131 152 LEU CD2 C 21.80 0.25 2 1475 132 153 SER H H 9.07 0.02 1 1476 132 153 SER HA H 4.61 0.02 1 1477 132 153 SER HB2 H 4.05 0.02 1 1478 132 153 SER C C 172.97 0.25 1 1479 132 153 SER CA C 58.62 0.25 1 1480 132 153 SER CB C 63.31 0.25 1 1481 132 153 SER N N 115.55 0.15 1 1482 133 154 ALA H H 7.71 0.02 1 1483 133 154 ALA HA H 4.04 0.02 1 1484 133 154 ALA HB H 1.35 0.02 1 1485 133 154 ALA C C 171.60 0.25 1 1486 133 154 ALA CA C 53.96 0.25 1 1487 133 154 ALA CB C 19.82 0.25 1 1488 133 154 ALA N N 130.95 0.15 1 stop_ save_