data_19554 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Domain 2 of E. coli ribosomal protein S1 ; _BMRB_accession_number 19554 _BMRB_flat_file_name bmr19554.str _Entry_type original _Submission_date 2013-10-12 _Accession_date 2013-10-12 _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 GIRAUD Pierre . . 2 CRECHET Jean-Bernard . . 3 BONTEMS Francois . . 4 UZAN Marc . . 5 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" 870 "13C chemical shifts" 668 "15N chemical shifts" 174 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2014-04-14 original author . stop_ loop_ _Related_BMRB_accession_number _Relationship 19550 'Domain 1 of E. coli ribosomal protein S1' stop_ _Original_release_date 2014-04-14 save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full . _Citation_title 'Resonance assignment of the ribosome binding domain of E. coli ribosomal protein S1.' _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 24682851 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Giraud Pierre . . 2 Crechet Jean-Bernard . . 3 Uzan Marc . . 4 Bontems Francois . . 5 Sizun Christina . . stop_ _Journal_abbreviation 'Biomol. NMR Assignments' _Journal_name_full 'Biomolecular NMR assignments' _Journal_volume . _Journal_issue . _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first . _Page_last . _Year 2014 _Details . save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name 'Domain 2 of E. coli ribosomal protein S1' _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label S1F12 $S1F12 stop_ _System_molecular_weight . _System_physical_state native _System_oligomer_state ? _System_paramagnetic no _System_thiol_state . _Database_query_date . _Details . save_ ######################## # Monomeric polymers # ######################## save_S1F12 _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common S1F12 _Molecular_mass 10462.053 _Mol_thiol_state 'not present' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 182 _Mol_residue_sequence ; GSHMTESFAQLFEESLKEIE TRPGSIVRGVVVAIDKDVVL VDAGLKSESAIPAEQFKNAQ GELEIQVGDEVDVALDAVED GFGETLLSREKAKRHEAWIT LEKAYEDAETVTGVINGKVK GGFTVELNGIRAFLPGSLVD VRPVRDTLHLEGKELEFKVI KLDQKRNNVVVSRRAVIESE NS ; loop_ _Residue_seq_code _Residue_author_seq_code _Residue_label 1 -2 GLY 2 -1 SER 3 0 HIS 4 1 MET 5 2 THR 6 3 GLU 7 4 SER 8 5 PHE 9 6 ALA 10 7 GLN 11 8 LEU 12 9 PHE 13 10 GLU 14 11 GLU 15 12 SER 16 13 LEU 17 14 LYS 18 15 GLU 19 16 ILE 20 17 GLU 21 18 THR 22 19 ARG 23 20 PRO 24 21 GLY 25 22 SER 26 23 ILE 27 24 VAL 28 25 ARG 29 26 GLY 30 27 VAL 31 28 VAL 32 29 VAL 33 30 ALA 34 31 ILE 35 32 ASP 36 33 LYS 37 34 ASP 38 35 VAL 39 36 VAL 40 37 LEU 41 38 VAL 42 39 ASP 43 40 ALA 44 41 GLY 45 42 LEU 46 43 LYS 47 44 SER 48 45 GLU 49 46 SER 50 47 ALA 51 48 ILE 52 49 PRO 53 50 ALA 54 51 GLU 55 52 GLN 56 53 PHE 57 54 LYS 58 55 ASN 59 56 ALA 60 57 GLN 61 58 GLY 62 59 GLU 63 60 LEU 64 61 GLU 65 62 ILE 66 63 GLN 67 64 VAL 68 65 GLY 69 66 ASP 70 67 GLU 71 68 VAL 72 69 ASP 73 70 VAL 74 71 ALA 75 72 LEU 76 73 ASP 77 74 ALA 78 75 VAL 79 76 GLU 80 77 ASP 81 78 GLY 82 79 PHE 83 80 GLY 84 81 GLU 85 82 THR 86 83 LEU 87 84 LEU 88 85 SER 89 86 ARG 90 87 GLU 91 88 LYS 92 89 ALA 93 90 LYS 94 91 ARG 95 92 HIS 96 93 GLU 97 94 ALA 98 95 TRP 99 96 ILE 100 97 THR 101 98 LEU 102 99 GLU 103 100 LYS 104 101 ALA 105 102 TYR 106 103 GLU 107 104 ASP 108 105 ALA 109 106 GLU 110 107 THR 111 108 VAL 112 109 THR 113 110 GLY 114 111 VAL 115 112 ILE 116 113 ASN 117 114 GLY 118 115 LYS 119 116 VAL 120 117 LYS 121 118 GLY 122 119 GLY 123 120 PHE 124 121 THR 125 122 VAL 126 123 GLU 127 124 LEU 128 125 ASN 129 126 GLY 130 127 ILE 131 128 ARG 132 129 ALA 133 130 PHE 134 131 LEU 135 132 PRO 136 133 GLY 137 134 SER 138 135 LEU 139 136 VAL 140 137 ASP 141 138 VAL 142 139 ARG 143 140 PRO 144 141 VAL 145 142 ARG 146 143 ASP 147 144 THR 148 145 LEU 149 146 HIS 150 147 LEU 151 148 GLU 152 149 GLY 153 150 LYS 154 151 GLU 155 152 LEU 156 153 GLU 157 154 PHE 158 155 LYS 159 156 VAL 160 157 ILE 161 158 LYS 162 159 LEU 163 160 ASP 164 161 GLN 165 162 LYS 166 163 ARG 167 164 ASN 168 165 ASN 169 166 VAL 170 167 VAL 171 168 VAL 172 169 SER 173 170 ARG 174 171 ARG 175 172 ALA 176 173 VAL 177 174 ILE 178 175 GLU 179 176 SER 180 177 GLU 181 178 ASN 182 179 SER stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date 2015-11-25 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 BMRB 19550 S1F1 50.55 96 98.91 98.91 1.59e-53 PDB 2MFI "Domain 1 Of E. Coli Ribosomal Protein S1" 50.55 96 98.91 98.91 1.59e-53 PDB 2MFL "Domain 2 Of E. Coli Ribosomal Protein S1" 100.00 182 100.00 100.00 6.47e-124 PDB 4Q7J "Complex Structure Of Viral Rna Polymerase" 98.35 281 100.00 100.00 3.26e-119 PDB 4R71 "Structure Of The Qbeta Holoenzyme Complex In The P1211 Crystal Form" 93.41 171 100.00 100.00 2.74e-114 DBJ BAA35655 "30S ribosomal subunit protein S1 [Escherichia coli str. K12 substr. W3110]" 98.35 557 100.00 100.00 8.18e-116 DBJ BAB34417 "30S ribosomal subunit protein S1 [Escherichia coli O157:H7 str. Sakai]" 98.35 557 100.00 100.00 8.18e-116 DBJ BAG76494 "30S ribosomal protein S1 [Escherichia coli SE11]" 98.35 557 100.00 100.00 8.18e-116 DBJ BAH62634 "30S ribosomal protein S1 [Klebsiella pneumoniae subsp. pneumoniae NTUH-K2044]" 98.35 557 100.00 100.00 9.61e-116 DBJ BAI24353 "30S ribosomal subunit protein S1 [Escherichia coli O26:H11 str. 11368]" 98.35 557 100.00 100.00 8.18e-116 EMBL CAA23630 "unnamed protein product [Escherichia coli]" 98.35 556 100.00 100.00 6.07e-116 EMBL CAA23644 "S1 ribosomal protein [Escherichia coli]" 98.35 556 100.00 100.00 6.07e-116 EMBL CAD05381 "30S ribosomal protein S1 [Salmonella enterica subsp. enterica serovar Typhi str. CT18]" 98.35 557 100.00 100.00 7.66e-116 EMBL CAO97188 "30S ribosomal protein S1 [Erwinia tasmaniensis Et1/99]" 98.35 557 98.32 98.88 1.63e-113 EMBL CAP75381 "30S ribosomal protein S1 [Escherichia coli LF82]" 98.35 557 100.00 100.00 8.18e-116 GB AAC73997 "30S ribosomal subunit protein S1 [Escherichia coli str. K-12 substr. MG1655]" 98.35 557 100.00 100.00 8.18e-116 GB AAG55396 "30S ribosomal subunit protein S1 [Escherichia coli O157:H7 str. EDL933]" 98.35 557 100.00 100.00 8.18e-116 GB AAL19915 "30S ribosomal subunit protein S1 [Salmonella enterica subsp. enterica serovar Typhimurium str. LT2]" 98.35 557 100.00 100.00 7.66e-116 GB AAN42537 "30S ribosomal subunit protein S1 [Shigella flexneri 2a str. 301]" 98.35 557 100.00 100.00 8.18e-116 GB AAN79519 "30S ribosomal protein S1 [Escherichia coli CFT073]" 98.35 557 100.00 100.00 8.18e-116 PIR AC0614 "30S ribosomal protein S1 [imported] - Salmonella enterica subsp. enterica serovar Typhi (strain CT18)" 98.35 557 100.00 100.00 7.66e-116 PRF 0804233A "protein S1" 98.35 557 99.44 100.00 5.02e-115 REF NP_309021 "30S ribosomal protein S1 [Escherichia coli O157:H7 str. Sakai]" 98.35 557 100.00 100.00 8.18e-116 REF NP_415431 "30S ribosomal subunit protein S1 [Escherichia coli str. K-12 substr. MG1655]" 98.35 557 100.00 100.00 8.18e-116 REF NP_455468 "30S ribosomal protein S1 [Salmonella enterica subsp. enterica serovar Typhi str. CT18]" 98.35 557 100.00 100.00 7.66e-116 REF NP_459956 "30S ribosomal protein S1 [Salmonella enterica subsp. enterica serovar Typhimurium str. LT2]" 98.35 557 100.00 100.00 7.66e-116 REF NP_706830 "30S ribosomal protein S1 [Shigella flexneri 2a str. 301]" 98.35 557 100.00 100.00 8.18e-116 SP P0AG67 "RecName: Full=30S ribosomal protein S1; AltName: Full=Bacteriophage Q beta RNA-directed RNA polymerase subunit I" 98.35 557 100.00 100.00 8.18e-116 SP P0AG68 "RecName: Full=30S ribosomal protein S1" 98.35 557 100.00 100.00 8.18e-116 SP P0AG69 "RecName: Full=30S ribosomal protein S1" 98.35 557 100.00 100.00 8.18e-116 SP P0AG70 "RecName: Full=30S ribosomal protein S1" 98.35 557 100.00 100.00 8.18e-116 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 $S1F12 'E. coli' 562 Bacteria . Escherichia coli K12 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 $S1F12 'recombinant technology' . Escherichia coli . pET15b stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_S1F12-15N13C2H _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $S1F12 0.25 mM '[U-99% 13C; U-99% 15N; U-80% 2H]' 'sodium phosphate' 25.0 mM 'natural abundance' 'sodium chloride' 200.0 mM 'natural abundance' H2O 93 % 'natural abundance' D2O 7 % '[U-100% 2H]' stop_ save_ save_S1F12-15N13C-H2O _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $S1F12 0.2 mM '[U-99% 13C; U-99% 15N]' 'potassium phosphate' 50.0 mM 'natural abundance' 'potassium chloride' 200.0 mM 'natural abundance' H2O 93 % 'natural abundance' D2O 7 % '[U-100% 2H]' stop_ save_ save_S1F12-15N13C-D2O _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $S1F12 0.2 mM '[U-99% 13C; U-99% 15N]' 'potassium phosphate' 50.0 mM 'natural abundance' 'potassium chloride' 200.0 mM 'natural abundance' D2O 100 % '[U-100% 2H]' 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 'Spectrum analysis' 'Spectrum display' stop_ _Details 'The CCPN NMR assignment and data analysis application' save_ save_TopSpin _Saveframe_category software _Name TOPSPIN _Version 3.1 loop_ _Vendor _Address _Electronic_address Bruker . . 'Herrmann, G?ntert and W?thrich' 'LAS, Tokei-Kaikan BLD.1F 1-11-5 Ueno,Taito, Tokyo 110-0005, Japan' http://www.las.jp/english/products/cyana.html stop_ loop_ _Task 'Spectrum processing' 'Structure calculation' stop_ _Details . save_ save_nmrPipe _Saveframe_category software _Name NMRPipe _Version any loop_ _Vendor _Address _Electronic_address 'Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax' . http://spin.niddk.nih.gov/NMRPipe/ stop_ loop_ _Task 'Spectrum processing' stop_ _Details . save_ save_talos+ _Saveframe_category software _Name TALOS+ _Version any loop_ _Vendor _Address _Electronic_address 'Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax' . http://spin.niddk.nih.gov/NMRPipe/ stop_ loop_ _Task 'Dihedral angles' stop_ _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model Avance _Field_strength 950 _Details . save_ save_spectrometer_2 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model Avance _Field_strength 600 _Details . save_ save_spectrometer_3 _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 $S1F12-15N13C2H save_ save_3D_HNCA_2 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCA' _Sample_label $S1F12-15N13C2H save_ save_3D_HN(CO)CA_3 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HN(CO)CA' _Sample_label $S1F12-15N13C2H save_ save_3D_HNCACB_4 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCACB' _Sample_label $S1F12-15N13C2H save_ save_3D_CBCA(CO)NH_5 _Saveframe_category NMR_applied_experiment _Experiment_name '3D CBCA(CO)NH' _Sample_label $S1F12-15N13C2H save_ save_3D_HNCO_6 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCO' _Sample_label $S1F12-15N13C2H save_ save_3D_HN(CA)CO_7 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HN(CA)CO' _Sample_label $S1F12-15N13C2H save_ save_2D_1H-15N_HSQC_8 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-15N HSQC' _Sample_label $S1F12-15N13C-H2O save_ save_3D_HBHA(CO)NH_9 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HBHA(CO)NH' _Sample_label $S1F12-15N13C-H2O save_ save_3D_1H-15N_NOESY_10 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-15N NOESY' _Sample_label $S1F12-15N13C-H2O save_ save_2D_1H-13C_HSQC_11 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-13C HSQC' _Sample_label $S1F12-15N13C-D2O save_ save_3D_HCCH-TOCSY_12 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HCCH-TOCSY' _Sample_label $S1F12-15N13C-D2O save_ save_3D_HCCH-TOCSY_aromatic_13 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HCCH-TOCSY aromatic' _Sample_label $S1F12-15N13C-D2O save_ save_3D_CCH-TOCSY_14 _Saveframe_category NMR_applied_experiment _Experiment_name '3D CCH-TOCSY' _Sample_label $S1F12-15N13C-D2O save_ save_2D_1H-1H_TOCSY_15 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-1H TOCSY' _Sample_label $S1F12-15N13C-D2O save_ save_2D_1H-1H_NOESY_16 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-1H NOESY' _Sample_label $S1F12-15N13C-D2O save_ save_3D_1H-13C_NOESY_17 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-13C NOESY' _Sample_label $S1F12-15N13C-D2O save_ ####################### # Sample conditions # ####################### save_Condition_1 _Saveframe_category sample_conditions _Details . loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units 'ionic strength' 0.200 0.01 M pH 6.800 0.10 pH pressure 1.000 0.01 atm temperature 293.000 0.50 K stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference_1 _Saveframe_category chemical_shift_reference _Details . loop_ _Mol_common_name _Atom_type _Atom_isotope_number _Atom_group _Chem_shift_units _Chem_shift_value _Reference_method _Reference_type _External_reference_sample_geometry _External_reference_location _External_reference_axis _Indirect_shift_ratio DSS C 13 'methyl protons' ppm 0.00 na indirect . . . 0.251449530 DSS H 1 'methyl protons' ppm 0.00 internal direct . . . 1.000000000 DSS N 15 'methyl protons' ppm 0.00 na indirect . . . 0.101329118 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_assigned_chem_shift_list _Saveframe_category assigned_chemical_shifts _Details . loop_ _Experiment_label '3D HNCA' '3D HN(CO)CA' '3D HNCACB' '3D CBCA(CO)NH' '3D HNCO' '3D HN(CA)CO' '2D 1H-15N HSQC' '3D HBHA(CO)NH' '3D 1H-15N NOESY' '2D 1H-13C HSQC' '3D HCCH-TOCSY' '3D HCCH-TOCSY aromatic' '3D CCH-TOCSY' '2D 1H-1H TOCSY' '2D 1H-1H NOESY' '3D 1H-13C NOESY' stop_ loop_ _Sample_label $S1F12-15N13C2H $S1F12-15N13C-H2O $S1F12-15N13C-D2O stop_ _Sample_conditions_label $Condition_1 _Chem_shift_reference_set_label $chemical_shift_reference_1 _Mol_system_component_name S1F12 _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 0 3 HIS H H 8.33 0.02 1 2 0 3 HIS HA H 4.12 0.02 1 3 0 3 HIS C C 175.98 0.25 1 4 0 3 HIS N N 121.49 0.15 1 5 1 4 MET H H 8.52 0.02 1 6 1 4 MET HA H 4.38 0.02 1 7 1 4 MET HB2 H 1.88 0.02 2 8 1 4 MET HB3 H 1.97 0.02 2 9 1 4 MET HG2 H 2.36 0.02 2 10 1 4 MET HG3 H 2.42 0.02 2 11 1 4 MET HE H 1.95 0.02 1 12 1 4 MET C C 176.27 0.25 1 13 1 4 MET CA C 55.57 0.25 1 14 1 4 MET CB C 32.69 0.25 1 15 1 4 MET CG C 31.79 0.25 1 16 1 4 MET CE C 16.82 0.25 1 17 1 4 MET N N 124.69 0.15 1 18 2 5 THR H H 8.10 0.02 1 19 2 5 THR HA H 4.18 0.02 1 20 2 5 THR HB H 4.14 0.02 1 21 2 5 THR HG2 H 1.09 0.02 1 22 2 5 THR C C 174.68 0.25 1 23 2 5 THR CA C 61.95 0.25 1 24 2 5 THR CB C 69.52 0.25 1 25 2 5 THR CG2 C 21.57 0.25 1 26 2 5 THR N N 115.24 0.15 1 27 3 6 GLU H H 8.38 0.02 1 28 3 6 GLU HA H 4.14 0.02 1 29 3 6 GLU HB2 H 1.82 0.02 2 30 3 6 GLU HB3 H 1.94 0.02 2 31 3 6 GLU HG2 H 2.11 0.02 1 32 3 6 GLU HG3 H 2.11 0.02 1 33 3 6 GLU C C 176.58 0.25 1 34 3 6 GLU CA C 56.60 0.25 1 35 3 6 GLU CB C 30.04 0.25 1 36 3 6 GLU CG C 36.31 0.25 1 37 3 6 GLU N N 123.19 0.15 1 38 4 7 SER H H 8.18 0.02 1 39 4 7 SER HA H 4.39 0.02 1 40 4 7 SER HB2 H 3.71 0.02 2 41 4 7 SER HB3 H 3.67 0.02 2 42 4 7 SER C C 174.58 0.25 1 43 4 7 SER CA C 58.05 0.25 1 44 4 7 SER CB C 63.72 0.25 1 45 4 7 SER N N 116.25 0.15 1 46 5 8 PHE H H 8.12 0.02 1 47 5 8 PHE HA H 4.43 0.02 1 48 5 8 PHE HB2 H 3.05 0.02 2 49 5 8 PHE HB3 H 2.94 0.02 2 50 5 8 PHE HD1 H 7.13 0.02 3 51 5 8 PHE HD2 H 7.13 0.02 3 52 5 8 PHE HE1 H 7.20 0.02 3 53 5 8 PHE HE2 H 7.20 0.02 3 54 5 8 PHE C C 175.83 0.25 1 55 5 8 PHE CA C 58.22 0.25 1 56 5 8 PHE CB C 39.12 0.25 1 57 5 8 PHE N N 122.11 0.15 1 58 6 9 ALA H H 8.07 0.02 1 59 6 9 ALA HA H 4.09 0.02 1 60 6 9 ALA HB H 1.25 0.02 1 61 6 9 ALA C C 177.95 0.25 1 62 6 9 ALA CA C 53.06 0.25 1 63 6 9 ALA CB C 18.84 0.25 1 64 6 9 ALA N N 124.00 0.15 1 65 7 10 GLN H H 8.03 0.02 1 66 7 10 GLN HA H 4.10 0.02 1 67 7 10 GLN HB2 H 1.91 0.02 2 68 7 10 GLN HB3 H 1.87 0.02 2 69 7 10 GLN HG2 H 2.21 0.02 2 70 7 10 GLN HG3 H 2.19 0.02 2 71 7 10 GLN HE21 H 7.46 0.02 1 72 7 10 GLN HE22 H 6.76 0.02 1 73 7 10 GLN C C 176.24 0.25 1 74 7 10 GLN CA C 56.26 0.25 1 75 7 10 GLN CB C 29.02 0.25 1 76 7 10 GLN CG C 33.70 0.25 1 77 7 10 GLN N N 118.64 0.15 1 78 7 10 GLN NE2 N 112.42 0.15 1 79 8 11 LEU H H 7.96 0.02 1 80 8 11 LEU HA H 4.10 0.02 1 81 8 11 LEU HB2 H 1.31 0.02 2 82 8 11 LEU HB3 H 1.43 0.02 2 83 8 11 LEU HD1 H 0.76 0.02 2 84 8 11 LEU HD2 H 0.70 0.02 2 85 8 11 LEU C C 177.55 0.25 1 86 8 11 LEU CA C 55.66 0.25 1 87 8 11 LEU CB C 42.28 0.25 1 88 8 11 LEU CG C 26.77 0.25 1 89 8 11 LEU CD1 C 24.96 0.25 2 90 8 11 LEU CD2 C 23.28 0.25 2 91 8 11 LEU N N 122.27 0.15 1 92 9 12 PHE H H 8.12 0.02 1 93 9 12 PHE HA H 4.42 0.02 1 94 9 12 PHE HB2 H 2.86 0.02 2 95 9 12 PHE HB3 H 3.02 0.02 2 96 9 12 PHE HD1 H 7.09 0.02 3 97 9 12 PHE HD2 H 7.09 0.02 3 98 9 12 PHE HE1 H 7.18 0.02 3 99 9 12 PHE HE2 H 7.18 0.02 3 100 9 12 PHE C C 176.07 0.25 1 101 9 12 PHE CA C 58.24 0.25 1 102 9 12 PHE CB C 39.23 0.25 1 103 9 12 PHE N N 120.29 0.15 1 104 10 13 GLU H H 8.15 0.02 1 105 10 13 GLU HA H 4.04 0.02 1 106 10 13 GLU HB2 H 1.91 0.02 2 107 10 13 GLU HB3 H 1.84 0.02 2 108 10 13 GLU HG2 H 2.12 0.02 1 109 10 13 GLU C C 176.96 0.25 1 110 10 13 GLU CA C 56.90 0.25 1 111 10 13 GLU CB C 29.68 0.25 1 112 10 13 GLU N N 121.66 0.15 1 113 11 14 GLU H H 8.17 0.02 1 114 11 14 GLU HA H 4.18 0.02 1 115 11 14 GLU N N 122.51 0.15 1 116 12 15 SER HA H 4.26 0.02 1 117 12 15 SER HB2 H 3.73 0.02 2 118 12 15 SER HB3 H 3.68 0.02 2 119 12 15 SER C C 174.84 0.25 1 120 12 15 SER CA C 58.37 0.25 1 121 12 15 SER CB C 63.45 0.25 1 122 13 16 LEU H H 7.95 0.02 1 123 13 16 LEU HA H 4.15 0.02 1 124 13 16 LEU HB2 H 1.51 0.02 2 125 13 16 LEU HB3 H 1.44 0.02 2 126 13 16 LEU HD1 H 0.74 0.02 1 127 13 16 LEU C C 177.56 0.25 1 128 13 16 LEU CA C 55.51 0.25 1 129 13 16 LEU CB C 42.19 0.25 1 130 13 16 LEU CG C 26.94 0.25 1 131 13 16 LEU CD1 C 23.57 0.25 2 132 13 16 LEU CD2 C 24.99 0.25 2 133 13 16 LEU N N 123.28 0.15 1 134 14 17 LYS H H 7.93 0.02 1 135 14 17 LYS HA H 4.13 0.02 1 136 14 17 LYS HB2 H 1.72 0.02 2 137 14 17 LYS HB3 H 1.66 0.02 2 138 14 17 LYS HG2 H 1.30 0.02 2 139 14 17 LYS HG3 H 1.36 0.02 2 140 14 17 LYS HE3 H 2.87 0.02 1 141 14 17 LYS C C 176.74 0.25 1 142 14 17 LYS CA C 56.82 0.25 1 143 14 17 LYS CB C 32.78 0.25 1 144 14 17 LYS CG C 24.67 0.25 1 145 14 17 LYS CD C 29.00 0.25 1 146 14 17 LYS CE C 41.90 0.25 1 147 14 17 LYS N N 120.90 0.15 1 148 15 18 GLU H H 8.13 0.02 1 149 15 18 GLU HA H 4.16 0.02 1 150 15 18 GLU C C 176.49 0.25 1 151 15 18 GLU CA C 56.90 0.25 1 152 15 18 GLU CB C 29.45 0.25 1 153 15 18 GLU CG C 36.31 0.25 1 154 15 18 GLU N N 121.14 0.15 1 155 16 19 ILE H H 8.01 0.02 1 156 16 19 ILE HA H 4.00 0.02 1 157 16 19 ILE HB H 1.75 0.02 1 158 16 19 ILE HG12 H 1.07 0.02 2 159 16 19 ILE HG13 H 1.37 0.02 2 160 16 19 ILE HG2 H 0.78 0.02 1 161 16 19 ILE HD1 H 0.73 0.02 1 162 16 19 ILE C C 175.69 0.25 1 163 16 19 ILE CA C 61.20 0.25 1 164 16 19 ILE CB C 38.62 0.25 1 165 16 19 ILE CG1 C 27.27 0.25 1 166 16 19 ILE CG2 C 17.45 0.25 1 167 16 19 ILE CD1 C 13.01 0.25 1 168 16 19 ILE N N 120.71 0.15 1 169 17 20 GLU H H 8.30 0.02 1 170 17 20 GLU HA H 4.21 0.02 1 171 17 20 GLU HB2 H 1.89 0.02 2 172 17 20 GLU HB3 H 1.91 0.02 2 173 17 20 GLU HG2 H 2.15 0.02 1 174 17 20 GLU C C 176.39 0.25 1 175 17 20 GLU CA C 56.52 0.25 1 176 17 20 GLU CB C 29.59 0.25 1 177 17 20 GLU CG C 36.32 0.25 1 178 17 20 GLU N N 124.38 0.15 1 179 18 21 THR H H 8.06 0.02 1 180 18 21 THR HA H 4.20 0.02 1 181 18 21 THR HB H 4.04 0.02 1 182 18 21 THR HG2 H 1.06 0.02 1 183 18 21 THR C C 174.20 0.25 1 184 18 21 THR CA C 61.56 0.25 1 185 18 21 THR CB C 69.61 0.25 1 186 18 21 THR CG2 C 21.58 0.25 1 187 18 21 THR N N 115.78 0.15 1 188 19 22 ARG H H 8.33 0.02 1 189 19 22 ARG HA H 4.52 0.02 1 190 19 22 ARG HB2 H 1.63 0.02 2 191 19 22 ARG HB3 H 1.73 0.02 2 192 19 22 ARG HG2 H 1.54 0.02 2 193 19 22 ARG HG3 H 1.55 0.02 2 194 19 22 ARG HD2 H 3.07 0.02 1 195 19 22 ARG HD3 H 3.07 0.02 1 196 19 22 ARG C C 174.15 0.25 1 197 19 22 ARG CA C 53.86 0.25 1 198 19 22 ARG CB C 30.10 0.25 1 199 19 22 ARG CG C 26.73 0.25 1 200 19 22 ARG CD C 43.17 0.25 1 201 19 22 ARG N N 124.80 0.15 1 202 20 23 PRO HA H 4.31 0.02 1 203 20 23 PRO HB2 H 1.82 0.02 2 204 20 23 PRO HB3 H 2.19 0.02 2 205 20 23 PRO HG2 H 1.88 0.02 2 206 20 23 PRO HG3 H 1.95 0.02 2 207 20 23 PRO HD2 H 3.71 0.02 2 208 20 23 PRO HD3 H 3.52 0.02 2 209 20 23 PRO C C 177.35 0.25 1 210 20 23 PRO CA C 63.38 0.25 1 211 20 23 PRO CB C 32.01 0.25 1 212 20 23 PRO CG C 27.36 0.25 1 213 20 23 PRO CD C 50.56 0.25 1 214 21 24 GLY H H 8.47 0.02 1 215 21 24 GLY HA2 H 3.86 0.02 1 216 21 24 GLY HA3 H 3.86 0.02 1 217 21 24 GLY C C 174.04 0.25 1 218 21 24 GLY CA C 45.11 0.25 1 219 21 24 GLY N N 109.79 0.15 1 220 22 25 SER H H 8.10 0.02 1 221 22 25 SER HA H 4.38 0.02 1 222 22 25 SER HB2 H 3.75 0.02 2 223 22 25 SER HB3 H 3.74 0.02 2 224 22 25 SER C C 173.11 0.25 1 225 22 25 SER CA C 58.35 0.25 1 226 22 25 SER CB C 63.85 0.25 1 227 22 25 SER N N 115.12 0.15 1 228 23 26 ILE H H 7.95 0.02 1 229 23 26 ILE HA H 4.67 0.02 1 230 23 26 ILE HB H 1.61 0.02 1 231 23 26 ILE HG12 H 0.98 0.02 2 232 23 26 ILE HG13 H 1.33 0.02 2 233 23 26 ILE HG2 H 0.64 0.02 1 234 23 26 ILE HD1 H 0.63 0.02 1 235 23 26 ILE C C 176.00 0.25 1 236 23 26 ILE CA C 59.64 0.25 1 237 23 26 ILE CB C 39.31 0.25 1 238 23 26 ILE CG1 C 27.14 0.25 1 239 23 26 ILE CG2 C 17.70 0.25 1 240 23 26 ILE CD1 C 12.21 0.25 1 241 23 26 ILE N N 122.51 0.15 1 242 24 27 VAL H H 8.94 0.02 1 243 24 27 VAL HA H 4.45 0.02 1 244 24 27 VAL HB H 2.03 0.02 1 245 24 27 VAL HG1 H 0.75 0.02 2 246 24 27 VAL HG2 H 0.78 0.02 2 247 24 27 VAL C C 173.38 0.25 1 248 24 27 VAL CA C 59.48 0.25 1 249 24 27 VAL CB C 34.95 0.25 1 250 24 27 VAL CG1 C 19.85 0.25 2 251 24 27 VAL CG2 C 21.44 0.25 2 252 24 27 VAL N N 123.65 0.15 1 253 25 28 ARG H H 8.19 0.02 1 254 25 28 ARG HA H 5.03 0.02 1 255 25 28 ARG HB2 H 1.70 0.02 2 256 25 28 ARG HB3 H 1.60 0.02 2 257 25 28 ARG HD2 H 3.03 0.02 1 258 25 28 ARG C C 176.19 0.25 1 259 25 28 ARG CA C 54.22 0.25 1 260 25 28 ARG CB C 30.70 0.25 1 261 25 28 ARG CG C 26.50 0.25 1 262 25 28 ARG CD C 42.77 0.25 1 263 25 28 ARG N N 123.42 0.15 1 264 26 29 GLY H H 8.89 0.02 1 265 26 29 GLY HA2 H 3.17 0.02 2 266 26 29 GLY HA3 H 4.67 0.02 2 267 26 29 GLY C C 171.10 0.25 1 268 26 29 GLY CA C 43.93 0.25 1 269 26 29 GLY N N 111.49 0.15 1 270 27 30 VAL H H 7.75 0.02 1 271 27 30 VAL HA H 4.79 0.02 1 272 27 30 VAL HB H 1.79 0.02 1 273 27 30 VAL HG1 H 0.74 0.02 2 274 27 30 VAL HG2 H 0.82 0.02 2 275 27 30 VAL C C 175.67 0.25 1 276 27 30 VAL CA C 59.72 0.25 1 277 27 30 VAL CB C 35.04 0.25 1 278 27 30 VAL CG1 C 20.68 0.25 2 279 27 30 VAL CG2 C 21.49 0.25 2 280 27 30 VAL N N 117.64 0.15 1 281 28 31 VAL H H 8.89 0.02 1 282 28 31 VAL HA H 3.78 0.02 1 283 28 31 VAL HB H 2.08 0.02 1 284 28 31 VAL HG1 H 0.58 0.02 2 285 28 31 VAL HG2 H 0.54 0.02 2 286 28 31 VAL C C 176.99 0.25 1 287 28 31 VAL CA C 63.89 0.25 1 288 28 31 VAL CB C 31.50 0.25 1 289 28 31 VAL CG1 C 22.15 0.25 2 290 28 31 VAL CG2 C 22.17 0.25 2 291 28 31 VAL N N 126.69 0.15 1 292 29 32 VAL H H 9.18 0.02 1 293 29 32 VAL HA H 4.31 0.02 1 294 29 32 VAL HB H 1.98 0.02 1 295 29 32 VAL HG1 H 0.75 0.02 2 296 29 32 VAL HG2 H 0.89 0.02 2 297 29 32 VAL C C 175.62 0.25 1 298 29 32 VAL CA C 62.17 0.25 1 299 29 32 VAL CB C 33.20 0.25 1 300 29 32 VAL CG1 C 19.96 0.25 2 301 29 32 VAL CG2 C 21.67 0.25 2 302 29 32 VAL N N 126.29 0.15 1 303 30 33 ALA H H 7.65 0.02 1 304 30 33 ALA HA H 4.32 0.02 1 305 30 33 ALA HB H 1.29 0.02 1 306 30 33 ALA C C 174.35 0.25 1 307 30 33 ALA CA C 52.39 0.25 1 308 30 33 ALA CB C 21.91 0.25 1 309 30 33 ALA N N 121.33 0.15 1 310 31 34 ILE H H 8.46 0.02 1 311 31 34 ILE HA H 4.27 0.02 1 312 31 34 ILE HB H 1.44 0.02 1 313 31 34 ILE HG12 H 1.17 0.02 2 314 31 34 ILE HG13 H 0.65 0.02 2 315 31 34 ILE HG2 H 0.65 0.02 1 316 31 34 ILE HD1 H 0.58 0.02 1 317 31 34 ILE C C 174.34 0.25 1 318 31 34 ILE CA C 61.52 0.25 1 319 31 34 ILE CB C 41.19 0.25 1 320 31 34 ILE CG1 C 27.96 0.25 1 321 31 34 ILE CG2 C 17.58 0.25 1 322 31 34 ILE CD1 C 14.65 0.25 1 323 31 34 ILE N N 120.33 0.15 1 324 32 35 ASP H H 8.51 0.02 1 325 32 35 ASP HA H 4.72 0.02 1 326 32 35 ASP HB2 H 2.63 0.02 2 327 32 35 ASP HB3 H 2.57 0.02 2 328 32 35 ASP C C 174.69 0.25 1 329 32 35 ASP CA C 52.63 0.25 1 330 32 35 ASP CB C 42.84 0.25 1 331 32 35 ASP N N 128.17 0.15 1 332 33 36 LYS H H 8.44 0.02 1 333 33 36 LYS HA H 3.75 0.02 1 334 33 36 LYS HB2 H 1.79 0.02 2 335 33 36 LYS HB3 H 1.69 0.02 2 336 33 36 LYS HG2 H 1.30 0.02 2 337 33 36 LYS HG3 H 1.36 0.02 2 338 33 36 LYS HD2 H 1.60 0.02 2 339 33 36 LYS HD3 H 1.57 0.02 2 340 33 36 LYS HE2 H 2.91 0.02 2 341 33 36 LYS HE3 H 2.85 0.02 2 342 33 36 LYS C C 175.88 0.25 1 343 33 36 LYS CA C 58.70 0.25 1 344 33 36 LYS CB C 31.10 0.25 1 345 33 36 LYS CG C 24.49 0.25 1 346 33 36 LYS CD C 28.83 0.25 1 347 33 36 LYS CE C 41.70 0.25 1 348 33 36 LYS N N 118.54 0.15 1 349 34 37 ASP H H 8.61 0.02 1 350 34 37 ASP HA H 4.68 0.02 1 351 34 37 ASP HB2 H 2.73 0.02 2 352 34 37 ASP HB3 H 2.63 0.02 2 353 34 37 ASP C C 176.51 0.25 1 354 34 37 ASP CA C 55.07 0.25 1 355 34 37 ASP CB C 42.00 0.25 1 356 34 37 ASP N N 116.09 0.15 1 357 35 38 VAL H H 8.10 0.02 1 358 35 38 VAL HA H 4.55 0.02 1 359 35 38 VAL HB H 1.81 0.02 1 360 35 38 VAL HG1 H 0.74 0.02 2 361 35 38 VAL HG2 H 0.69 0.02 2 362 35 38 VAL C C 172.77 0.25 1 363 35 38 VAL CA C 61.10 0.25 1 364 35 38 VAL CB C 36.11 0.25 1 365 35 38 VAL CG1 C 20.56 0.25 2 366 35 38 VAL CG2 C 21.74 0.25 2 367 35 38 VAL N N 120.83 0.15 1 368 36 39 VAL H H 9.04 0.02 1 369 36 39 VAL HA H 4.18 0.02 1 370 36 39 VAL HG1 H 0.69 0.02 2 371 36 39 VAL HG2 H 0.44 0.02 2 372 36 39 VAL C C 174.14 0.25 1 373 36 39 VAL CA C 61.02 0.25 1 374 36 39 VAL CB C 33.61 0.25 1 375 36 39 VAL CG2 C 21.79 0.25 1 376 36 39 VAL N N 125.49 0.15 1 377 37 40 LEU H H 8.68 0.02 1 378 37 40 LEU HA H 5.07 0.02 1 379 37 40 LEU HB2 H 1.50 0.02 2 380 37 40 LEU HB3 H 1.13 0.02 2 381 37 40 LEU HG H 1.34 0.02 1 382 37 40 LEU HD1 H 0.65 0.02 2 383 37 40 LEU HD2 H 0.67 0.02 2 384 37 40 LEU C C 176.61 0.25 1 385 37 40 LEU CA C 53.29 0.25 1 386 37 40 LEU CB C 43.28 0.25 1 387 37 40 LEU CG C 27.11 0.25 1 388 37 40 LEU CD1 C 23.75 0.25 2 389 37 40 LEU CD2 C 24.41 0.25 2 390 37 40 LEU N N 127.38 0.15 1 391 38 41 VAL H H 9.11 0.02 1 392 38 41 VAL HA H 4.65 0.02 1 393 38 41 VAL HB H 1.66 0.02 1 394 38 41 VAL HG1 H 0.51 0.02 2 395 38 41 VAL HG2 H 0.66 0.02 2 396 38 41 VAL C C 174.48 0.25 1 397 38 41 VAL CA C 59.79 0.25 1 398 38 41 VAL CB C 35.40 0.25 1 399 38 41 VAL CG1 C 21.07 0.25 2 400 38 41 VAL CG2 C 21.84 0.25 2 401 38 41 VAL N N 123.21 0.15 1 402 39 42 ASP H H 9.13 0.02 1 403 39 42 ASP HA H 4.86 0.02 1 404 39 42 ASP HB2 H 2.83 0.02 2 405 39 42 ASP HB3 H 2.44 0.02 2 406 39 42 ASP C C 175.67 0.25 1 407 39 42 ASP CA C 52.62 0.25 1 408 39 42 ASP CB C 41.03 0.25 1 409 39 42 ASP N N 124.79 0.15 1 410 40 43 ALA H H 9.20 0.02 1 411 40 43 ALA HA H 4.73 0.02 1 412 40 43 ALA HB H 1.13 0.02 1 413 40 43 ALA C C 176.40 0.25 1 414 40 43 ALA CA C 50.24 0.25 1 415 40 43 ALA CB C 19.27 0.25 1 416 40 43 ALA N N 131.94 0.15 1 417 41 44 GLY H H 8.47 0.02 1 418 41 44 GLY HA2 H 3.73 0.02 2 419 41 44 GLY HA3 H 4.00 0.02 2 420 41 44 GLY C C 174.97 0.25 1 421 41 44 GLY CA C 45.74 0.25 1 422 41 44 GLY N N 106.93 0.15 1 423 42 45 LEU H H 7.52 0.02 1 424 42 45 LEU HA H 4.48 0.02 1 425 42 45 LEU HB2 H 1.69 0.02 2 426 42 45 LEU HB3 H 1.90 0.02 2 427 42 45 LEU HG H 1.41 0.02 1 428 42 45 LEU HD1 H 0.79 0.02 2 429 42 45 LEU HD2 H 0.72 0.02 2 430 42 45 LEU C C 177.17 0.25 1 431 42 45 LEU CA C 53.97 0.25 1 432 42 45 LEU CB C 40.96 0.25 1 433 42 45 LEU CG C 27.39 0.25 1 434 42 45 LEU CD1 C 25.51 0.25 2 435 42 45 LEU CD2 C 22.52 0.25 2 436 42 45 LEU N N 119.15 0.15 1 437 43 46 LYS H H 8.36 0.02 1 438 43 46 LYS HA H 3.90 0.02 1 439 43 46 LYS HB2 H 1.69 0.02 2 440 43 46 LYS HB3 H 1.79 0.02 2 441 43 46 LYS HG2 H 1.37 0.02 2 442 43 46 LYS HG3 H 1.34 0.02 2 443 43 46 LYS HD2 H 1.57 0.02 2 444 43 46 LYS HD3 H 1.57 0.02 2 445 43 46 LYS HE3 H 2.88 0.02 1 446 43 46 LYS C C 176.42 0.25 1 447 43 46 LYS CA C 58.63 0.25 1 448 43 46 LYS CB C 31.69 0.25 1 449 43 46 LYS CG C 24.75 0.25 1 450 43 46 LYS CD C 28.80 0.25 1 451 43 46 LYS CE C 41.74 0.25 1 452 43 46 LYS N N 119.01 0.15 1 453 44 47 SER H H 7.41 0.02 1 454 44 47 SER HA H 4.48 0.02 1 455 44 47 SER HB2 H 3.62 0.02 2 456 44 47 SER HB3 H 3.66 0.02 2 457 44 47 SER C C 173.65 0.25 1 458 44 47 SER CA C 56.37 0.25 1 459 44 47 SER CB C 64.94 0.25 1 460 44 47 SER N N 110.68 0.15 1 461 45 48 GLU H H 8.83 0.02 1 462 45 48 GLU HA H 4.30 0.02 1 463 45 48 GLU HB2 H 1.78 0.02 2 464 45 48 GLU HB3 H 1.64 0.02 2 465 45 48 GLU HG2 H 2.12 0.02 2 466 45 48 GLU HG3 H 2.08 0.02 2 467 45 48 GLU C C 176.52 0.25 1 468 45 48 GLU CA C 57.80 0.25 1 469 45 48 GLU CB C 29.77 0.25 1 470 45 48 GLU CG C 36.63 0.25 1 471 45 48 GLU N N 122.64 0.15 1 472 46 49 SER H H 8.99 0.02 1 473 46 49 SER HA H 4.54 0.02 1 474 46 49 SER HB2 H 3.48 0.02 2 475 46 49 SER HB3 H 3.67 0.02 2 476 46 49 SER C C 172.15 0.25 1 477 46 49 SER CA C 58.37 0.25 1 478 46 49 SER CB C 64.46 0.25 1 479 46 49 SER N N 119.33 0.15 1 480 47 50 ALA H H 8.53 0.02 1 481 47 50 ALA HA H 4.82 0.02 1 482 47 50 ALA HB H 1.13 0.02 1 483 47 50 ALA C C 176.19 0.25 1 484 47 50 ALA CA C 50.93 0.25 1 485 47 50 ALA CB C 19.50 0.25 1 486 47 50 ALA N N 128.62 0.15 1 487 48 51 ILE H H 9.19 0.02 1 488 48 51 ILE HA H 4.65 0.02 1 489 48 51 ILE HB H 1.90 0.02 1 490 48 51 ILE HG12 H 1.20 0.02 1 491 48 51 ILE HG2 H 0.91 0.02 1 492 48 51 ILE HD1 H 0.66 0.02 1 493 48 51 ILE CA C 57.37 0.25 1 494 48 51 ILE CB C 40.82 0.25 1 495 48 51 ILE CG1 C 27.10 0.25 1 496 48 51 ILE CG2 C 17.58 0.25 1 497 48 51 ILE CD1 C 13.00 0.25 1 498 48 51 ILE N N 125.71 0.15 1 499 49 52 PRO HA H 4.44 0.02 1 500 49 52 PRO HG2 H 2.07 0.02 1 501 49 52 PRO HD2 H 3.81 0.02 2 502 49 52 PRO HD3 H 3.55 0.02 2 503 49 52 PRO C C 177.67 0.25 1 504 49 52 PRO CA C 63.85 0.25 1 505 49 52 PRO CB C 32.49 0.25 1 506 49 52 PRO CG C 28.01 0.25 1 507 49 52 PRO CD C 51.06 0.25 1 508 50 53 ALA H H 8.22 0.02 1 509 50 53 ALA HA H 3.97 0.02 1 510 50 53 ALA HB H 1.18 0.02 1 511 50 53 ALA C C 178.92 0.25 1 512 50 53 ALA CA C 54.77 0.25 1 513 50 53 ALA CB C 17.92 0.25 1 514 50 53 ALA N N 125.73 0.15 1 515 51 54 GLU H H 8.56 0.02 1 516 51 54 GLU HA H 3.69 0.02 1 517 51 54 GLU HB2 H 1.92 0.02 2 518 51 54 GLU HB3 H 2.04 0.02 2 519 51 54 GLU HG2 H 2.22 0.02 2 520 51 54 GLU HG3 H 2.16 0.02 2 521 51 54 GLU C C 177.85 0.25 1 522 51 54 GLU CA C 58.99 0.25 1 523 51 54 GLU CB C 29.12 0.25 1 524 51 54 GLU CG C 35.42 0.25 1 525 51 54 GLU N N 115.15 0.15 1 526 52 55 GLN H H 7.44 0.02 1 527 52 55 GLN HA H 3.88 0.02 1 528 52 55 GLN HB3 H 1.55 0.02 1 529 52 55 GLN HG3 H 1.92 0.02 1 530 52 55 GLN C C 175.84 0.25 1 531 52 55 GLN CA C 57.46 0.25 1 532 52 55 GLN CB C 27.89 0.25 1 533 52 55 GLN CG C 33.60 0.25 1 534 52 55 GLN N N 115.78 0.15 1 535 53 56 PHE H H 7.84 0.02 1 536 53 56 PHE HA H 4.69 0.02 1 537 53 56 PHE HD1 H 7.13 0.02 3 538 53 56 PHE HD2 H 7.13 0.02 3 539 53 56 PHE HE1 H 7.04 0.02 3 540 53 56 PHE HE2 H 7.04 0.02 3 541 53 56 PHE HZ H 6.87 0.02 1 542 53 56 PHE C C 174.78 0.25 1 543 53 56 PHE CA C 56.68 0.25 1 544 53 56 PHE CB C 40.23 0.25 1 545 53 56 PHE N N 115.82 0.15 1 546 54 57 LYS H H 7.01 0.02 1 547 54 57 LYS HA H 4.67 0.02 1 548 54 57 LYS HB2 H 1.49 0.02 2 549 54 57 LYS HB3 H 1.65 0.02 2 550 54 57 LYS HG3 H 0.87 0.02 1 551 54 57 LYS HD2 H 1.44 0.02 1 552 54 57 LYS HE2 H 2.50 0.02 2 553 54 57 LYS HE3 H 2.72 0.02 2 554 54 57 LYS C C 176.79 0.25 1 555 54 57 LYS CA C 55.82 0.25 1 556 54 57 LYS CB C 34.93 0.25 1 557 54 57 LYS CG C 26.46 0.25 1 558 54 57 LYS CE C 41.94 0.25 1 559 54 57 LYS N N 119.72 0.15 1 560 55 58 ASN H H 8.53 0.02 1 561 55 58 ASN HA H 4.66 0.02 1 562 55 58 ASN HB2 H 2.92 0.02 2 563 55 58 ASN HB3 H 3.44 0.02 2 564 55 58 ASN HD21 H 7.88 0.02 1 565 55 58 ASN HD22 H 7.34 0.02 1 566 55 58 ASN C C 177.67 0.25 1 567 55 58 ASN CA C 50.67 0.25 1 568 55 58 ASN CB C 38.57 0.25 1 569 55 58 ASN N N 120.17 0.15 1 570 55 58 ASN ND2 N 112.80 0.15 1 571 56 59 ALA H H 8.43 0.02 1 572 56 59 ALA HA H 4.03 0.02 1 573 56 59 ALA HB H 1.34 0.02 1 574 56 59 ALA C C 178.59 0.25 1 575 56 59 ALA CA C 54.54 0.25 1 576 56 59 ALA CB C 17.98 0.25 1 577 56 59 ALA N N 120.74 0.15 1 578 57 60 GLN H H 7.58 0.02 1 579 57 60 GLN HA H 4.30 0.02 1 580 57 60 GLN HB2 H 2.21 0.02 2 581 57 60 GLN HB3 H 1.95 0.02 2 582 57 60 GLN HG2 H 2.33 0.02 2 583 57 60 GLN HG3 H 2.20 0.02 2 584 57 60 GLN HE21 H 7.43 0.02 1 585 57 60 GLN HE22 H 6.72 0.02 1 586 57 60 GLN C C 176.13 0.25 1 587 57 60 GLN CA C 55.73 0.25 1 588 57 60 GLN CB C 28.54 0.25 1 589 57 60 GLN CG C 34.74 0.25 1 590 57 60 GLN N N 114.92 0.15 1 591 57 60 GLN NE2 N 112.05 0.15 1 592 58 61 GLY H H 8.16 0.02 1 593 58 61 GLY HA2 H 4.12 0.02 2 594 58 61 GLY HA3 H 3.56 0.02 2 595 58 61 GLY C C 173.66 0.25 1 596 58 61 GLY CA C 45.42 0.25 1 597 58 61 GLY N N 107.93 0.15 1 598 59 62 GLU H H 7.72 0.02 1 599 59 62 GLU HA H 4.33 0.02 1 600 59 62 GLU HB2 H 1.86 0.02 2 601 59 62 GLU HB3 H 1.81 0.02 2 602 59 62 GLU HG2 H 2.00 0.02 2 603 59 62 GLU HG3 H 2.08 0.02 2 604 59 62 GLU C C 175.84 0.25 1 605 59 62 GLU CA C 54.31 0.25 1 606 59 62 GLU CB C 30.74 0.25 1 607 59 62 GLU CG C 35.69 0.25 1 608 59 62 GLU N N 119.72 0.15 1 609 60 63 LEU H H 8.71 0.02 1 610 60 63 LEU HA H 4.29 0.02 1 611 60 63 LEU HB3 H 1.51 0.02 1 612 60 63 LEU HG H 1.56 0.02 1 613 60 63 LEU HD1 H 0.76 0.02 2 614 60 63 LEU HD2 H 0.75 0.02 2 615 60 63 LEU C C 177.68 0.25 1 616 60 63 LEU CA C 55.14 0.25 1 617 60 63 LEU CB C 43.05 0.25 1 618 60 63 LEU CG C 27.73 0.25 1 619 60 63 LEU CD1 C 25.49 0.25 2 620 60 63 LEU CD2 C 25.30 0.25 2 621 60 63 LEU N N 123.06 0.15 1 622 61 64 GLU H H 8.81 0.02 1 623 61 64 GLU HA H 4.39 0.02 1 624 61 64 GLU HB2 H 1.86 0.02 2 625 61 64 GLU HB3 H 2.13 0.02 2 626 61 64 GLU HG2 H 2.21 0.02 2 627 61 64 GLU HG3 H 2.08 0.02 2 628 61 64 GLU C C 175.52 0.25 1 629 61 64 GLU CA C 55.78 0.25 1 630 61 64 GLU CB C 30.24 0.25 1 631 61 64 GLU CG C 36.72 0.25 1 632 61 64 GLU N N 123.55 0.15 1 633 62 65 ILE H H 6.78 0.02 1 634 62 65 ILE HA H 4.42 0.02 1 635 62 65 ILE HB H 1.53 0.02 1 636 62 65 ILE HG12 H 0.68 0.02 2 637 62 65 ILE HG13 H 1.20 0.02 2 638 62 65 ILE HG2 H 0.64 0.02 1 639 62 65 ILE HD1 H 0.29 0.02 1 640 62 65 ILE C C 172.66 0.25 1 641 62 65 ILE CA C 58.94 0.25 1 642 62 65 ILE CB C 41.90 0.25 1 643 62 65 ILE CG1 C 27.04 0.25 1 644 62 65 ILE CG2 C 18.40 0.25 1 645 62 65 ILE CD1 C 14.93 0.25 1 646 62 65 ILE N N 113.60 0.15 1 647 63 66 GLN H H 8.37 0.02 1 648 63 66 GLN HA H 4.37 0.02 1 649 63 66 GLN HB2 H 1.71 0.02 2 650 63 66 GLN HB3 H 1.88 0.02 2 651 63 66 GLN HG2 H 2.13 0.02 2 652 63 66 GLN HG3 H 2.19 0.02 2 653 63 66 GLN HE21 H 6.64 0.02 1 654 63 66 GLN HE22 H 7.58 0.02 1 655 63 66 GLN C C 175.17 0.25 1 656 63 66 GLN CA C 53.16 0.25 1 657 63 66 GLN CB C 32.80 0.25 1 658 63 66 GLN CG C 33.29 0.25 1 659 63 66 GLN N N 119.37 0.15 1 660 63 66 GLN NE2 N 112.89 0.15 1 661 64 67 VAL H H 8.37 0.02 1 662 64 67 VAL HA H 3.09 0.02 1 663 64 67 VAL HB H 1.75 0.02 1 664 64 67 VAL HG1 H 0.77 0.02 2 665 64 67 VAL HG2 H 0.79 0.02 2 666 64 67 VAL C C 177.19 0.25 1 667 64 67 VAL CA C 65.59 0.25 1 668 64 67 VAL CB C 31.02 0.25 1 669 64 67 VAL CG1 C 21.23 0.25 2 670 64 67 VAL CG2 C 22.61 0.25 2 671 64 67 VAL N N 120.76 0.15 1 672 65 68 GLY H H 8.87 0.02 1 673 65 68 GLY HA2 H 3.36 0.02 2 674 65 68 GLY HA3 H 4.36 0.02 2 675 65 68 GLY C C 174.19 0.25 1 676 65 68 GLY CA C 44.38 0.25 1 677 65 68 GLY N N 116.75 0.15 1 678 66 69 ASP H H 7.80 0.02 1 679 66 69 ASP HA H 4.48 0.02 1 680 66 69 ASP HB2 H 2.46 0.02 2 681 66 69 ASP HB3 H 2.65 0.02 2 682 66 69 ASP C C 175.24 0.25 1 683 66 69 ASP CA C 54.73 0.25 1 684 66 69 ASP CB C 40.93 0.25 1 685 66 69 ASP N N 121.36 0.15 1 686 67 70 GLU H H 8.32 0.02 1 687 67 70 GLU HA H 5.13 0.02 1 688 67 70 GLU HB2 H 1.82 0.02 2 689 67 70 GLU HB3 H 1.77 0.02 2 690 67 70 GLU HG2 H 2.24 0.02 2 691 67 70 GLU HG3 H 1.99 0.02 2 692 67 70 GLU C C 176.50 0.25 1 693 67 70 GLU CA C 54.99 0.25 1 694 67 70 GLU CB C 31.19 0.25 1 695 67 70 GLU CG C 36.99 0.25 1 696 67 70 GLU N N 119.51 0.15 1 697 68 71 VAL H H 8.68 0.02 1 698 68 71 VAL HA H 4.51 0.02 1 699 68 71 VAL HB H 2.00 0.02 1 700 68 71 VAL HG1 H 0.48 0.02 2 701 68 71 VAL HG2 H 0.58 0.02 2 702 68 71 VAL CA C 58.83 0.25 1 703 68 71 VAL CB C 35.82 0.25 1 704 68 71 VAL CG1 C 19.07 0.25 2 705 68 71 VAL CG2 C 22.25 0.25 2 706 68 71 VAL N N 116.48 0.15 1 707 69 72 ASP HA H 5.12 0.02 1 708 69 72 ASP HB2 H 2.25 0.02 2 709 69 72 ASP HB3 H 2.43 0.02 2 710 69 72 ASP CA C 53.79 0.25 1 711 69 72 ASP CB C 41.68 0.25 1 712 70 73 VAL H H 9.07 0.02 1 713 70 73 VAL HA H 4.24 0.02 1 714 70 73 VAL HB H 1.85 0.02 1 715 70 73 VAL HG1 H 0.69 0.02 2 716 70 73 VAL HG2 H 0.72 0.02 2 717 70 73 VAL CA C 60.09 0.25 1 718 70 73 VAL CB C 34.77 0.25 1 719 70 73 VAL CG1 C 20.79 0.25 2 720 70 73 VAL CG2 C 21.66 0.25 2 721 70 73 VAL N N 120.66 0.15 1 722 71 74 ALA H H 8.47 0.02 1 723 71 74 ALA HA H 4.64 0.02 1 724 71 74 ALA HB H 1.22 0.02 1 725 71 74 ALA C C 177.38 0.25 1 726 71 74 ALA CA C 50.81 0.25 1 727 71 74 ALA CB C 18.96 0.25 1 728 71 74 ALA N N 127.65 0.15 1 729 72 75 LEU H H 8.39 0.02 1 730 72 75 LEU HA H 4.18 0.02 1 731 72 75 LEU HB2 H 1.50 0.02 2 732 72 75 LEU HB3 H 1.45 0.02 2 733 72 75 LEU HD1 H 0.70 0.02 1 734 72 75 LEU CA C 55.20 0.25 1 735 72 75 LEU CB C 42.77 0.25 1 736 72 75 LEU N N 124.33 0.15 1 737 73 76 ASP HA H 4.34 0.02 1 738 73 76 ASP HB3 H 2.56 0.02 1 739 73 76 ASP CA C 54.80 0.25 1 740 73 76 ASP CB C 42.01 0.25 1 741 74 77 ALA H H 7.91 0.02 1 742 74 77 ALA HA H 4.25 0.02 1 743 74 77 ALA HB H 1.28 0.02 1 744 74 77 ALA CA C 52.18 0.25 1 745 74 77 ALA CB C 19.20 0.25 1 746 74 77 ALA N N 122.62 0.15 1 747 75 78 VAL H H 7.84 0.02 1 748 75 78 VAL HA H 3.96 0.02 1 749 75 78 VAL HB H 2.00 0.02 1 750 75 78 VAL HG1 H 0.80 0.02 2 751 75 78 VAL HG2 H 0.81 0.02 2 752 75 78 VAL C C 176.46 0.25 1 753 75 78 VAL CA C 62.26 0.25 1 754 75 78 VAL CB C 32.64 0.25 1 755 75 78 VAL CG1 C 20.68 0.25 2 756 75 78 VAL CG2 C 21.25 0.25 2 757 75 78 VAL N N 118.41 0.15 1 758 76 79 GLU H H 8.38 0.02 1 759 76 79 GLU HA H 4.14 0.02 1 760 76 79 GLU HB2 H 1.94 0.02 2 761 76 79 GLU HB3 H 1.81 0.02 2 762 76 79 GLU HG2 H 2.13 0.02 1 763 76 79 GLU HG3 H 2.13 0.02 1 764 76 79 GLU C C 176.41 0.25 1 765 76 79 GLU CA C 56.91 0.25 1 766 76 79 GLU CB C 29.89 0.25 1 767 76 79 GLU CG C 36.35 0.25 1 768 76 79 GLU N N 123.87 0.15 1 769 77 80 ASP H H 8.27 0.02 1 770 77 80 ASP HA H 4.44 0.02 1 771 77 80 ASP HB2 H 2.58 0.02 2 772 77 80 ASP HB3 H 2.56 0.02 2 773 77 80 ASP C C 176.86 0.25 1 774 77 80 ASP CA C 54.52 0.25 1 775 77 80 ASP CB C 41.08 0.25 1 776 77 80 ASP N N 121.30 0.15 1 777 78 81 GLY H H 8.18 0.02 1 778 78 81 GLY HA2 H 3.77 0.02 2 779 78 81 GLY HA3 H 3.78 0.02 2 780 78 81 GLY C C 174.46 0.25 1 781 78 81 GLY CA C 45.54 0.25 1 782 78 81 GLY N N 108.55 0.15 1 783 79 82 PHE H H 8.08 0.02 1 784 79 82 PHE HA H 4.49 0.02 1 785 79 82 PHE HB2 H 2.98 0.02 2 786 79 82 PHE HB3 H 3.10 0.02 2 787 79 82 PHE HD1 H 7.15 0.02 3 788 79 82 PHE HD2 H 7.15 0.02 3 789 79 82 PHE HE1 H 7.22 0.02 3 790 79 82 PHE HE2 H 7.22 0.02 3 791 79 82 PHE HZ H 7.02 0.02 1 792 79 82 PHE C C 176.52 0.25 1 793 79 82 PHE CA C 58.22 0.25 1 794 79 82 PHE CB C 39.41 0.25 1 795 79 82 PHE N N 120.13 0.15 1 796 80 83 GLY H H 8.32 0.02 1 797 80 83 GLY HA2 H 3.83 0.02 2 798 80 83 GLY HA3 H 3.74 0.02 2 799 80 83 GLY C C 174.29 0.25 1 800 80 83 GLY CA C 45.33 0.25 1 801 80 83 GLY N N 110.02 0.15 1 802 81 84 GLU H H 8.17 0.02 1 803 81 84 GLU HA H 4.20 0.02 1 804 81 84 GLU HB2 H 1.88 0.02 2 805 81 84 GLU HB3 H 1.94 0.02 2 806 81 84 GLU HG2 H 2.12 0.02 2 807 81 84 GLU HG3 H 2.18 0.02 2 808 81 84 GLU C C 177.14 0.25 1 809 81 84 GLU CA C 56.90 0.25 1 810 81 84 GLU CB C 29.52 0.25 1 811 81 84 GLU CG C 36.30 0.25 1 812 81 84 GLU N N 120.56 0.15 1 813 82 85 THR H H 8.19 0.02 1 814 82 85 THR HA H 4.21 0.02 1 815 82 85 THR HB H 4.21 0.02 1 816 82 85 THR HG2 H 1.11 0.02 1 817 82 85 THR CA C 62.20 0.25 1 818 82 85 THR CB C 69.61 0.25 1 819 82 85 THR CG2 C 21.57 0.25 1 820 82 85 THR N N 114.98 0.15 1 821 89 92 ALA HA H 4.16 0.02 1 822 89 92 ALA HB H 1.42 0.02 1 823 89 92 ALA C C 179.72 0.25 1 824 89 92 ALA CA C 54.49 0.25 1 825 89 92 ALA CB C 18.22 0.25 1 826 90 93 LYS H H 7.98 0.02 1 827 90 93 LYS C C 179.09 0.25 1 828 90 93 LYS N N 119.50 0.15 1 829 91 94 ARG H H 8.01 0.02 1 830 91 94 ARG HA H 4.15 0.02 1 831 91 94 ARG HB2 H 1.86 0.02 2 832 91 94 ARG HB3 H 1.91 0.02 2 833 91 94 ARG HG2 H 1.70 0.02 2 834 91 94 ARG HG3 H 1.65 0.02 2 835 91 94 ARG HD2 H 3.14 0.02 2 836 91 94 ARG HD3 H 3.15 0.02 2 837 91 94 ARG CA C 58.30 0.25 1 838 91 94 ARG CB C 30.02 0.25 1 839 91 94 ARG CG C 27.63 0.25 1 840 91 94 ARG CD C 43.09 0.25 1 841 91 94 ARG N N 120.51 0.15 1 842 92 95 HIS HA H 4.12 0.02 1 843 92 95 HIS HB2 H 3.01 0.02 2 844 92 95 HIS HB3 H 3.09 0.02 2 845 92 95 HIS HD2 H 7.57 0.02 1 846 92 95 HIS HE1 H 7.87 0.02 1 847 92 95 HIS C C 177.36 0.25 1 848 92 95 HIS CB C 29.87 0.25 1 849 92 95 HIS CE1 C 136.95 0.25 1 850 93 96 GLU H H 8.19 0.02 1 851 93 96 GLU HA H 3.90 0.02 1 852 93 96 GLU HB2 H 2.03 0.02 1 853 93 96 GLU HG2 H 2.35 0.02 2 854 93 96 GLU HG3 H 2.26 0.02 2 855 93 96 GLU C C 178.74 0.25 1 856 93 96 GLU CA C 59.16 0.25 1 857 93 96 GLU CB C 28.96 0.25 1 858 93 96 GLU CG C 36.24 0.25 1 859 93 96 GLU N N 118.47 0.15 1 860 94 97 ALA H H 8.09 0.02 1 861 94 97 ALA HA H 4.07 0.02 1 862 94 97 ALA HB H 1.44 0.02 1 863 94 97 ALA C C 180.33 0.25 1 864 94 97 ALA CA C 54.94 0.25 1 865 94 97 ALA CB C 18.25 0.25 1 866 94 97 ALA N N 123.08 0.15 1 867 95 98 TRP H H 8.06 0.02 1 868 95 98 TRP HA H 4.04 0.02 1 869 95 98 TRP HB2 H 3.22 0.02 2 870 95 98 TRP HB3 H 3.18 0.02 2 871 95 98 TRP HD1 H 7.11 0.02 1 872 95 98 TRP HE1 H 10.05 0.02 1 873 95 98 TRP HE3 H 7.39 0.02 1 874 95 98 TRP HZ2 H 7.34 0.02 1 875 95 98 TRP HZ3 H 6.62 0.02 1 876 95 98 TRP HH2 H 6.69 0.02 1 877 95 98 TRP C C 178.59 0.25 1 878 95 98 TRP CA C 61.00 0.25 1 879 95 98 TRP CB C 29.16 0.25 1 880 95 98 TRP CD1 C 126.81 0.25 1 881 95 98 TRP CE3 C 121.00 0.25 1 882 95 98 TRP CZ2 C 114.26 0.25 1 883 95 98 TRP CZ3 C 124.70 0.25 1 884 95 98 TRP CH2 C 124.47 0.25 1 885 95 98 TRP N N 119.19 0.15 1 886 95 98 TRP NE1 N 128.37 0.15 1 887 96 99 ILE H H 7.85 0.02 1 888 96 99 ILE HA H 3.81 0.02 1 889 96 99 ILE HB H 1.94 0.02 1 890 96 99 ILE HG12 H 1.11 0.02 2 891 96 99 ILE HG13 H 1.42 0.02 2 892 96 99 ILE HG2 H 0.84 0.02 1 893 96 99 ILE HD1 H 0.69 0.02 1 894 96 99 ILE C C 179.30 0.25 1 895 96 99 ILE CA C 64.54 0.25 1 896 96 99 ILE CB C 37.13 0.25 1 897 96 99 ILE CG1 C 28.27 0.25 1 898 96 99 ILE CG2 C 17.33 0.25 1 899 96 99 ILE CD1 C 12.46 0.25 1 900 96 99 ILE N N 119.57 0.15 1 901 97 100 THR H H 7.90 0.02 1 902 97 100 THR HA H 3.83 0.02 1 903 97 100 THR HB H 4.19 0.02 1 904 97 100 THR HG2 H 1.13 0.02 1 905 97 100 THR C C 177.08 0.25 1 906 97 100 THR CA C 66.43 0.25 1 907 97 100 THR CB C 68.45 0.25 1 908 97 100 THR CG2 C 21.59 0.25 1 909 97 100 THR N N 117.03 0.15 1 910 98 101 LEU H H 7.83 0.02 1 911 98 101 LEU HA H 3.93 0.02 1 912 98 101 LEU HB2 H 1.60 0.02 2 913 98 101 LEU HB3 H 1.59 0.02 2 914 98 101 LEU HG H 1.17 0.02 1 915 98 101 LEU HD1 H 0.50 0.02 2 916 98 101 LEU HD2 H 0.47 0.02 2 917 98 101 LEU C C 178.16 0.25 1 918 98 101 LEU CA C 57.73 0.25 1 919 98 101 LEU CB C 41.54 0.25 1 920 98 101 LEU CD1 C 23.98 0.25 2 921 98 101 LEU CD2 C 25.93 0.25 2 922 98 101 LEU N N 123.11 0.15 1 923 99 102 GLU H H 8.56 0.02 1 924 99 102 GLU HA H 3.88 0.02 1 925 99 102 GLU HB2 H 2.10 0.02 2 926 99 102 GLU HB3 H 2.21 0.02 2 927 99 102 GLU HG2 H 2.21 0.02 2 928 99 102 GLU HG3 H 2.36 0.02 2 929 99 102 GLU C C 179.01 0.25 1 930 99 102 GLU CA C 59.92 0.25 1 931 99 102 GLU CB C 29.35 0.25 1 932 99 102 GLU CG C 36.45 0.25 1 933 99 102 GLU N N 120.52 0.15 1 934 100 103 LYS H H 7.80 0.02 1 935 100 103 LYS HA H 4.03 0.02 1 936 100 103 LYS HB2 H 1.78 0.02 2 937 100 103 LYS HB3 H 1.85 0.02 2 938 100 103 LYS HG2 H 1.34 0.02 2 939 100 103 LYS HG3 H 1.38 0.02 2 940 100 103 LYS HD2 H 1.61 0.02 2 941 100 103 LYS HD3 H 1.63 0.02 2 942 100 103 LYS HE2 H 2.85 0.02 2 943 100 103 LYS HE3 H 2.85 0.02 2 944 100 103 LYS C C 177.87 0.25 1 945 100 103 LYS CA C 58.57 0.25 1 946 100 103 LYS CB C 31.72 0.25 1 947 100 103 LYS CG C 24.67 0.25 1 948 100 103 LYS CD C 28.90 0.25 1 949 100 103 LYS CE C 41.86 0.25 1 950 100 103 LYS N N 119.95 0.15 1 951 101 104 ALA H H 7.80 0.02 1 952 101 104 ALA HA H 4.02 0.02 1 953 101 104 ALA HB H 1.37 0.02 1 954 101 104 ALA C C 180.99 0.25 1 955 101 104 ALA CA C 55.12 0.25 1 956 101 104 ALA CB C 17.58 0.25 1 957 101 104 ALA N N 120.69 0.15 1 958 102 105 TYR H H 8.58 0.02 1 959 102 105 TYR HA H 4.32 0.02 1 960 102 105 TYR HB2 H 3.19 0.02 2 961 102 105 TYR HB3 H 2.90 0.02 2 962 102 105 TYR HD1 H 7.03 0.02 3 963 102 105 TYR HD2 H 7.03 0.02 3 964 102 105 TYR HE1 H 6.69 0.02 3 965 102 105 TYR HE2 H 6.69 0.02 3 966 102 105 TYR C C 178.59 0.25 1 967 102 105 TYR CA C 59.81 0.25 1 968 102 105 TYR CB C 38.69 0.25 1 969 102 105 TYR CD1 C 133.39 0.25 3 970 102 105 TYR CD2 C 133.39 0.25 3 971 102 105 TYR CE1 C 118.33 0.25 3 972 102 105 TYR CE2 C 118.33 0.25 3 973 102 105 TYR N N 118.44 0.15 1 974 103 106 GLU H H 8.29 0.02 1 975 103 106 GLU HA H 3.59 0.02 1 976 103 106 GLU HB2 H 2.07 0.02 2 977 103 106 GLU HB3 H 2.00 0.02 2 978 103 106 GLU HG2 H 2.29 0.02 2 979 103 106 GLU HG3 H 2.42 0.02 2 980 103 106 GLU C C 178.10 0.25 1 981 103 106 GLU CA C 59.08 0.25 1 982 103 106 GLU CB C 29.42 0.25 1 983 103 106 GLU CG C 35.99 0.25 1 984 103 106 GLU N N 120.86 0.15 1 985 104 107 ASP H H 8.12 0.02 1 986 104 107 ASP HA H 4.61 0.02 1 987 104 107 ASP HB2 H 2.47 0.02 2 988 104 107 ASP HB3 H 2.76 0.02 2 989 104 107 ASP C C 174.97 0.25 1 990 104 107 ASP CA C 54.12 0.25 1 991 104 107 ASP CB C 40.48 0.25 1 992 104 107 ASP N N 116.12 0.15 1 993 105 108 ALA H H 7.71 0.02 1 994 105 108 ALA HA H 4.15 0.02 1 995 105 108 ALA HB H 1.28 0.02 1 996 105 108 ALA C C 177.13 0.25 1 997 105 108 ALA CA C 52.64 0.25 1 998 105 108 ALA CB C 16.30 0.25 1 999 105 108 ALA N N 123.33 0.15 1 1000 106 109 GLU H H 8.44 0.02 1 1001 106 109 GLU HA H 4.30 0.02 1 1002 106 109 GLU HB2 H 1.97 0.02 2 1003 106 109 GLU HB3 H 1.69 0.02 2 1004 106 109 GLU HG2 H 2.17 0.02 2 1005 106 109 GLU HG3 H 2.25 0.02 2 1006 106 109 GLU C C 176.73 0.25 1 1007 106 109 GLU CA C 55.44 0.25 1 1008 106 109 GLU CB C 31.76 0.25 1 1009 106 109 GLU CG C 36.21 0.25 1 1010 106 109 GLU N N 118.95 0.15 1 1011 107 110 THR H H 8.74 0.02 1 1012 107 110 THR HA H 4.55 0.02 1 1013 107 110 THR HB H 3.98 0.02 1 1014 107 110 THR HG2 H 1.09 0.02 1 1015 107 110 THR C C 174.25 0.25 1 1016 107 110 THR CA C 62.36 0.25 1 1017 107 110 THR CB C 69.39 0.25 1 1018 107 110 THR CG2 C 23.55 0.25 1 1019 107 110 THR N N 118.78 0.15 1 1020 108 111 VAL H H 9.04 0.02 1 1021 108 111 VAL HA H 4.63 0.02 1 1022 108 111 VAL HB H 2.00 0.02 1 1023 108 111 VAL HG1 H 0.70 0.02 2 1024 108 111 VAL HG2 H 0.54 0.02 2 1025 108 111 VAL C C 174.44 0.25 1 1026 108 111 VAL CA C 59.00 0.25 1 1027 108 111 VAL CB C 34.65 0.25 1 1028 108 111 VAL CG1 C 21.80 0.25 2 1029 108 111 VAL CG2 C 19.36 0.25 2 1030 108 111 VAL N N 120.54 0.15 1 1031 109 112 THR H H 8.17 0.02 1 1032 109 112 THR HA H 5.38 0.02 1 1033 109 112 THR HB H 3.88 0.02 1 1034 109 112 THR HG2 H 1.00 0.02 1 1035 109 112 THR C C 174.58 0.25 1 1036 109 112 THR CA C 60.41 0.25 1 1037 109 112 THR CB C 70.61 0.25 1 1038 109 112 THR CG2 C 21.75 0.25 1 1039 109 112 THR N N 115.10 0.15 1 1040 110 113 GLY H H 8.78 0.02 1 1041 110 113 GLY HA2 H 4.66 0.02 2 1042 110 113 GLY HA3 H 3.63 0.02 2 1043 110 113 GLY C C 170.81 0.25 1 1044 110 113 GLY CA C 45.38 0.25 1 1045 110 113 GLY N N 108.58 0.15 1 1046 111 114 VAL H H 7.81 0.02 1 1047 111 114 VAL HA H 4.78 0.02 1 1048 111 114 VAL HB H 1.82 0.02 1 1049 111 114 VAL HG1 H 0.77 0.02 2 1050 111 114 VAL HG2 H 0.71 0.02 2 1051 111 114 VAL C C 176.06 0.25 1 1052 111 114 VAL CA C 59.77 0.25 1 1053 111 114 VAL CB C 35.75 0.25 1 1054 111 114 VAL CG1 C 20.79 0.25 2 1055 111 114 VAL CG2 C 20.70 0.25 2 1056 111 114 VAL N N 116.93 0.15 1 1057 112 115 ILE H H 9.24 0.02 1 1058 112 115 ILE HA H 4.23 0.02 1 1059 112 115 ILE HB H 1.87 0.02 1 1060 112 115 ILE HG12 H 1.70 0.02 2 1061 112 115 ILE HG13 H 0.83 0.02 2 1062 112 115 ILE HG2 H 0.86 0.02 1 1063 112 115 ILE HD1 H 0.40 0.02 1 1064 112 115 ILE C C 176.18 0.25 1 1065 112 115 ILE CA C 62.22 0.25 1 1066 112 115 ILE CB C 37.48 0.25 1 1067 112 115 ILE CG1 C 28.54 0.25 1 1068 112 115 ILE CG2 C 17.66 0.25 1 1069 112 115 ILE CD1 C 13.42 0.25 1 1070 112 115 ILE N N 127.06 0.15 1 1071 113 116 ASN H H 9.01 0.02 1 1072 113 116 ASN HA H 4.94 0.02 1 1073 113 116 ASN HB2 H 2.73 0.02 2 1074 113 116 ASN HB3 H 2.51 0.02 2 1075 113 116 ASN HD21 H 6.54 0.02 1 1076 113 116 ASN HD22 H 7.52 0.02 1 1077 113 116 ASN C C 175.02 0.25 1 1078 113 116 ASN CA C 52.29 0.25 1 1079 113 116 ASN CB C 39.58 0.25 1 1080 113 116 ASN N N 127.51 0.15 1 1081 113 116 ASN ND2 N 110.09 0.15 1 1082 114 117 GLY H H 7.62 0.02 1 1083 114 117 GLY HA2 H 4.04 0.02 2 1084 114 117 GLY HA3 H 4.11 0.02 2 1085 114 117 GLY C C 171.36 0.25 1 1086 114 117 GLY CA C 45.52 0.25 1 1087 114 117 GLY N N 107.15 0.15 1 1088 115 118 LYS H H 8.55 0.02 1 1089 115 118 LYS HA H 4.59 0.02 1 1090 115 118 LYS HB2 H 1.57 0.02 2 1091 115 118 LYS HB3 H 1.69 0.02 2 1092 115 118 LYS HG2 H 1.46 0.02 2 1093 115 118 LYS HG3 H 1.20 0.02 2 1094 115 118 LYS HE3 H 2.81 0.02 1 1095 115 118 LYS C C 175.95 0.25 1 1096 115 118 LYS CA C 55.94 0.25 1 1097 115 118 LYS CB C 34.04 0.25 1 1098 115 118 LYS CG C 24.81 0.25 1 1099 115 118 LYS CD C 29.08 0.25 1 1100 115 118 LYS CE C 41.91 0.25 1 1101 115 118 LYS N N 121.67 0.15 1 1102 116 119 VAL H H 8.07 0.02 1 1103 116 119 VAL HA H 4.47 0.02 1 1104 116 119 VAL HB H 2.15 0.02 1 1105 116 119 VAL HG1 H 0.55 0.02 2 1106 116 119 VAL HG2 H 0.73 0.02 2 1107 116 119 VAL C C 175.11 0.25 1 1108 116 119 VAL CA C 59.03 0.25 1 1109 116 119 VAL CB C 35.50 0.25 1 1110 116 119 VAL CG1 C 18.44 0.25 2 1111 116 119 VAL CG2 C 22.27 0.25 2 1112 116 119 VAL N N 118.75 0.15 1 1113 117 120 LYS H H 8.25 0.02 1 1114 117 120 LYS HA H 3.93 0.02 1 1115 117 120 LYS HB2 H 1.57 0.02 2 1116 117 120 LYS HB3 H 1.62 0.02 2 1117 117 120 LYS HD2 H 1.56 0.02 2 1118 117 120 LYS HD3 H 1.58 0.02 2 1119 117 120 LYS HE3 H 2.91 0.02 1 1120 117 120 LYS C C 177.97 0.25 1 1121 117 120 LYS CA C 58.67 0.25 1 1122 117 120 LYS CB C 30.94 0.25 1 1123 117 120 LYS CG C 24.73 0.25 1 1124 117 120 LYS CD C 28.99 0.25 1 1125 117 120 LYS CE C 41.86 0.25 1 1126 117 120 LYS N N 122.52 0.15 1 1127 118 121 GLY H H 8.82 0.02 1 1128 118 121 GLY HA2 H 4.27 0.02 2 1129 118 121 GLY HA3 H 3.85 0.02 2 1130 118 121 GLY C C 175.54 0.25 1 1131 118 121 GLY CA C 45.20 0.25 1 1132 118 121 GLY N N 113.44 0.15 1 1133 119 122 GLY H H 7.93 0.02 1 1134 119 122 GLY HA2 H 3.35 0.02 2 1135 119 122 GLY HA3 H 4.47 0.02 2 1136 119 122 GLY C C 170.53 0.25 1 1137 119 122 GLY CA C 46.84 0.25 1 1138 119 122 GLY N N 109.13 0.15 1 1139 120 123 PHE H H 8.82 0.02 1 1140 120 123 PHE HA H 5.27 0.02 1 1141 120 123 PHE HB2 H 3.31 0.02 2 1142 120 123 PHE HB3 H 2.47 0.02 2 1143 120 123 PHE HD1 H 6.96 0.02 3 1144 120 123 PHE HD2 H 6.96 0.02 3 1145 120 123 PHE HE1 H 7.26 0.02 3 1146 120 123 PHE HE2 H 7.26 0.02 3 1147 120 123 PHE HZ H 6.96 0.02 1 1148 120 123 PHE C C 174.26 0.25 1 1149 120 123 PHE CA C 56.34 0.25 1 1150 120 123 PHE CB C 43.73 0.25 1 1151 120 123 PHE N N 123.37 0.15 1 1152 121 124 THR H H 8.67 0.02 1 1153 121 124 THR HA H 5.00 0.02 1 1154 121 124 THR HB H 4.02 0.02 1 1155 121 124 THR HG2 H 1.09 0.02 1 1156 121 124 THR C C 173.78 0.25 1 1157 121 124 THR CA C 60.50 0.25 1 1158 121 124 THR CB C 69.91 0.25 1 1159 121 124 THR CG2 C 22.29 0.25 1 1160 121 124 THR N N 114.67 0.15 1 1161 122 125 VAL H H 8.56 0.02 1 1162 122 125 VAL HA H 4.60 0.02 1 1163 122 125 VAL HB H 1.10 0.02 1 1164 122 125 VAL HG1 H 0.07 0.02 2 1165 122 125 VAL HG2 H 0.31 0.02 2 1166 122 125 VAL C C 174.24 0.25 1 1167 122 125 VAL CA C 59.30 0.25 1 1168 122 125 VAL CB C 35.86 0.25 1 1169 122 125 VAL CG1 C 21.42 0.25 2 1170 122 125 VAL CG2 C 23.20 0.25 2 1171 122 125 VAL N N 124.34 0.15 1 1172 123 126 GLU H H 8.95 0.02 1 1173 123 126 GLU HA H 4.61 0.02 1 1174 123 126 GLU HB2 H 1.80 0.02 2 1175 123 126 GLU HB3 H 1.86 0.02 2 1176 123 126 GLU HG2 H 1.99 0.02 2 1177 123 126 GLU HG3 H 1.98 0.02 2 1178 123 126 GLU C C 175.84 0.25 1 1179 123 126 GLU CA C 55.16 0.25 1 1180 123 126 GLU CB C 30.91 0.25 1 1181 123 126 GLU CG C 36.20 0.25 1 1182 123 126 GLU N N 126.95 0.15 1 1183 124 127 LEU H H 8.94 0.02 1 1184 124 127 LEU HA H 4.66 0.02 1 1185 124 127 LEU HB2 H 1.29 0.02 2 1186 124 127 LEU HB3 H 1.41 0.02 2 1187 124 127 LEU HG H 1.15 0.02 1 1188 124 127 LEU HD1 H 0.36 0.02 2 1189 124 127 LEU HD2 H 0.37 0.02 2 1190 124 127 LEU C C 175.35 0.25 1 1191 124 127 LEU CA C 53.20 0.25 1 1192 124 127 LEU CB C 42.19 0.25 1 1193 124 127 LEU CG C 26.26 0.25 1 1194 124 127 LEU CD1 C 27.26 0.25 2 1195 124 127 LEU CD2 C 25.28 0.25 2 1196 124 127 LEU N N 129.58 0.15 1 1197 125 128 ASN H H 8.95 0.02 1 1198 125 128 ASN HA H 4.19 0.02 1 1199 125 128 ASN HB2 H 2.50 0.02 2 1200 125 128 ASN HB3 H 2.95 0.02 2 1201 125 128 ASN HD21 H 6.79 0.02 1 1202 125 128 ASN HD22 H 7.37 0.02 1 1203 125 128 ASN C C 174.69 0.25 1 1204 125 128 ASN CA C 53.88 0.25 1 1205 125 128 ASN CB C 37.25 0.25 1 1206 125 128 ASN N N 121.88 0.15 1 1207 125 128 ASN ND2 N 111.35 0.15 1 1208 126 129 GLY H H 8.07 0.02 1 1209 126 129 GLY HA2 H 3.44 0.02 2 1210 126 129 GLY HA3 H 4.04 0.02 2 1211 126 129 GLY C C 173.68 0.25 1 1212 126 129 GLY CA C 44.88 0.25 1 1213 126 129 GLY N N 103.14 0.15 1 1214 127 130 ILE H H 7.38 0.02 1 1215 127 130 ILE HA H 3.97 0.02 1 1216 127 130 ILE HB H 1.56 0.02 1 1217 127 130 ILE HG12 H 0.93 0.02 2 1218 127 130 ILE HG13 H 0.63 0.02 2 1219 127 130 ILE HG2 H 0.34 0.02 1 1220 127 130 ILE HD1 H -0.03 0.02 1 1221 127 130 ILE C C 174.37 0.25 1 1222 127 130 ILE CA C 59.53 0.25 1 1223 127 130 ILE CB C 38.97 0.25 1 1224 127 130 ILE CG1 C 27.82 0.25 1 1225 127 130 ILE CG2 C 17.24 0.25 1 1226 127 130 ILE CD1 C 11.62 0.25 1 1227 127 130 ILE N N 122.12 0.15 1 1228 128 131 ARG H H 8.17 0.02 1 1229 128 131 ARG HA H 4.64 0.02 1 1230 128 131 ARG HB3 H 1.67 0.02 1 1231 128 131 ARG HG2 H 1.56 0.02 2 1232 128 131 ARG HG3 H 1.45 0.02 2 1233 128 131 ARG HD2 H 3.07 0.02 1 1234 128 131 ARG HD3 H 3.07 0.02 1 1235 128 131 ARG C C 174.72 0.25 1 1236 128 131 ARG CA C 55.65 0.25 1 1237 128 131 ARG CB C 31.00 0.25 1 1238 128 131 ARG CG C 27.64 0.25 1 1239 128 131 ARG CD C 43.41 0.25 1 1240 128 131 ARG N N 126.63 0.15 1 1241 129 132 ALA H H 9.24 0.02 1 1242 129 132 ALA HA H 4.85 0.02 1 1243 129 132 ALA HB H 0.84 0.02 1 1244 129 132 ALA C C 174.97 0.25 1 1245 129 132 ALA CA C 49.66 0.25 1 1246 129 132 ALA CB C 24.39 0.25 1 1247 129 132 ALA N N 127.32 0.15 1 1248 130 133 PHE H H 8.66 0.02 1 1249 130 133 PHE HA H 5.16 0.02 1 1250 130 133 PHE HB2 H 3.06 0.02 2 1251 130 133 PHE HB3 H 2.82 0.02 2 1252 130 133 PHE HD1 H 7.03 0.02 3 1253 130 133 PHE HD2 H 7.03 0.02 3 1254 130 133 PHE HE1 H 7.00 0.02 3 1255 130 133 PHE HE2 H 7.00 0.02 3 1256 130 133 PHE HZ H 6.71 0.02 1 1257 130 133 PHE C C 172.43 0.25 1 1258 130 133 PHE CA C 55.00 0.25 1 1259 130 133 PHE CB C 42.40 0.25 1 1260 130 133 PHE N N 121.06 0.15 1 1261 131 134 LEU H H 8.55 0.02 1 1262 131 134 LEU HA H 4.98 0.02 1 1263 131 134 LEU HD1 H 0.68 0.02 2 1264 131 134 LEU HD2 H 0.67 0.02 2 1265 131 134 LEU CA C 49.67 0.25 1 1266 131 134 LEU CB C 44.33 0.25 1 1267 131 134 LEU CD1 C 26.75 0.25 2 1268 131 134 LEU CD2 C 26.05 0.25 2 1269 131 134 LEU N N 130.25 0.15 1 1270 132 135 PRO HA H 4.00 0.02 1 1271 132 135 PRO C C 179.38 0.25 1 1272 132 135 PRO CA C 62.16 0.25 1 1273 133 136 GLY H H 9.14 0.02 1 1274 133 136 GLY HA2 H 4.05 0.02 2 1275 133 136 GLY HA3 H 3.75 0.02 2 1276 133 136 GLY C C 175.59 0.25 1 1277 133 136 GLY CA C 47.53 0.25 1 1278 133 136 GLY N N 111.47 0.15 1 1279 134 137 SER HA H 4.35 0.02 1 1280 134 137 SER HB2 H 3.90 0.02 2 1281 134 137 SER HB3 H 3.84 0.02 2 1282 134 137 SER C C 175.28 0.25 1 1283 134 137 SER CA C 59.21 0.25 1 1284 134 137 SER CB C 62.73 0.25 1 1285 135 138 LEU H H 8.03 0.02 1 1286 135 138 LEU HA H 4.58 0.02 1 1287 135 138 LEU C C 177.50 0.25 1 1288 135 138 LEU CA C 53.77 0.25 1 1289 135 138 LEU N N 118.77 0.15 1 1290 136 139 VAL H H 7.55 0.02 1 1291 136 139 VAL HA H 3.61 0.02 1 1292 136 139 VAL HB H 2.04 0.02 1 1293 136 139 VAL HG1 H 0.78 0.02 2 1294 136 139 VAL HG2 H 0.96 0.02 2 1295 136 139 VAL C C 173.15 0.25 1 1296 136 139 VAL CA C 65.22 0.25 1 1297 136 139 VAL CB C 32.02 0.25 1 1298 136 139 VAL CG1 C 21.77 0.25 2 1299 136 139 VAL CG2 C 23.02 0.25 2 1300 136 139 VAL N N 123.08 0.15 1 1301 137 140 ASP H H 7.94 0.02 1 1302 137 140 ASP HA H 4.34 0.02 1 1303 137 140 ASP HB2 H 2.26 0.02 2 1304 137 140 ASP HB3 H 2.94 0.02 2 1305 137 140 ASP C C 174.84 0.25 1 1306 137 140 ASP CA C 52.07 0.25 1 1307 137 140 ASP CB C 44.46 0.25 1 1308 137 140 ASP N N 117.30 0.15 1 1309 138 141 VAL H H 10.00 0.02 1 1310 138 141 VAL HA H 4.14 0.02 1 1311 138 141 VAL HB H 2.01 0.02 1 1312 138 141 VAL HG1 H 0.85 0.02 2 1313 138 141 VAL HG2 H 0.84 0.02 2 1314 138 141 VAL CA C 61.19 0.25 1 1315 138 141 VAL CB C 33.33 0.25 1 1316 138 141 VAL CG1 C 20.55 0.25 2 1317 138 141 VAL CG2 C 21.80 0.25 2 1318 138 141 VAL N N 116.75 0.15 1 1319 140 143 PRO HA H 4.51 0.02 1 1320 140 143 PRO HD2 H 3.49 0.02 2 1321 140 143 PRO HD3 H 3.69 0.02 2 1322 140 143 PRO C C 175.86 0.25 1 1323 140 143 PRO CD C 50.50 0.25 1 1324 141 144 VAL H H 8.11 0.02 1 1325 141 144 VAL HA H 3.90 0.02 1 1326 141 144 VAL HB H 2.19 0.02 1 1327 141 144 VAL HG1 H 0.82 0.02 2 1328 141 144 VAL HG2 H 0.86 0.02 2 1329 141 144 VAL C C 175.12 0.25 1 1330 141 144 VAL CA C 62.72 0.25 1 1331 141 144 VAL CB C 31.87 0.25 1 1332 141 144 VAL CG1 C 19.44 0.25 2 1333 141 144 VAL CG2 C 22.12 0.25 2 1334 141 144 VAL N N 124.91 0.15 1 1335 142 145 ARG H H 7.44 0.02 1 1336 142 145 ARG HA H 4.62 0.02 1 1337 142 145 ARG HB2 H 1.57 0.02 2 1338 142 145 ARG HB3 H 1.73 0.02 2 1339 142 145 ARG HG2 H 1.44 0.02 2 1340 142 145 ARG HG3 H 1.53 0.02 2 1341 142 145 ARG HD2 H 3.08 0.02 2 1342 142 145 ARG HD3 H 3.09 0.02 2 1343 142 145 ARG C C 173.52 0.25 1 1344 142 145 ARG CA C 53.02 0.25 1 1345 142 145 ARG CB C 30.48 0.25 1 1346 142 145 ARG CG C 26.42 0.25 1 1347 142 145 ARG CD C 42.90 0.25 1 1348 142 145 ARG N N 119.73 0.15 1 1349 143 146 ASP H H 7.88 0.02 1 1350 143 146 ASP HA H 4.67 0.02 1 1351 143 146 ASP HB2 H 2.61 0.02 2 1352 143 146 ASP HB3 H 2.70 0.02 2 1353 143 146 ASP C C 175.97 0.25 1 1354 143 146 ASP CA C 54.03 0.25 1 1355 143 146 ASP CB C 41.73 0.25 1 1356 143 146 ASP N N 119.78 0.15 1 1357 144 147 THR H H 8.03 0.02 1 1358 144 147 THR HA H 4.11 0.02 1 1359 144 147 THR HB H 4.29 0.02 1 1360 144 147 THR HG2 H 0.94 0.02 1 1361 144 147 THR C C 175.73 0.25 1 1362 144 147 THR CA C 61.52 0.25 1 1363 144 147 THR CB C 68.61 0.25 1 1364 144 147 THR CG2 C 21.70 0.25 1 1365 144 147 THR N N 110.06 0.15 1 1366 145 148 LEU H H 8.05 0.02 1 1367 145 148 LEU HA H 4.70 0.02 1 1368 145 148 LEU HB2 H 1.47 0.02 2 1369 145 148 LEU HB3 H 1.60 0.02 2 1370 145 148 LEU HD1 H 0.77 0.02 2 1371 145 148 LEU HD2 H 0.84 0.02 2 1372 145 148 LEU C C 178.01 0.25 1 1373 145 148 LEU CA C 57.35 0.25 1 1374 145 148 LEU CB C 42.10 0.25 1 1375 145 148 LEU CG C 27.05 0.25 1 1376 145 148 LEU CD1 C 24.12 0.25 2 1377 145 148 LEU CD2 C 24.44 0.25 2 1378 145 148 LEU N N 124.82 0.15 1 1379 146 149 HIS H H 8.12 0.02 1 1380 146 149 HIS HA H 4.54 0.02 1 1381 146 149 HIS HB2 H 2.06 0.02 2 1382 146 149 HIS HB3 H 3.02 0.02 2 1383 146 149 HIS HD2 H 6.96 0.02 1 1384 146 149 HIS HE1 H 7.98 0.02 1 1385 146 149 HIS C C 175.00 0.25 1 1386 146 149 HIS CD2 C 120.34 0.25 1 1387 146 149 HIS CE1 C 136.89 0.25 1 1388 146 149 HIS N N 116.31 0.15 1 1389 147 150 LEU H H 7.62 0.02 1 1390 147 150 LEU HA H 4.07 0.02 1 1391 147 150 LEU HB3 H 1.23 0.02 1 1392 147 150 LEU HG H 0.85 0.02 1 1393 147 150 LEU HD1 H 0.37 0.02 2 1394 147 150 LEU HD2 H 0.48 0.02 2 1395 147 150 LEU C C 176.81 0.25 1 1396 147 150 LEU CA C 54.71 0.25 1 1397 147 150 LEU CB C 41.96 0.25 1 1398 147 150 LEU CG C 25.76 0.25 1 1399 147 150 LEU CD1 C 25.28 0.25 2 1400 147 150 LEU CD2 C 22.31 0.25 2 1401 147 150 LEU N N 120.32 0.15 1 1402 148 151 GLU H H 7.76 0.02 1 1403 148 151 GLU HA H 3.78 0.02 1 1404 148 151 GLU HB2 H 1.84 0.02 2 1405 148 151 GLU HB3 H 1.89 0.02 2 1406 148 151 GLU HG2 H 2.10 0.02 2 1407 148 151 GLU HG3 H 2.21 0.02 2 1408 148 151 GLU C C 177.48 0.25 1 1409 148 151 GLU CA C 58.43 0.25 1 1410 148 151 GLU CB C 29.68 0.25 1 1411 148 151 GLU CG C 36.72 0.25 1 1412 148 151 GLU N N 118.95 0.15 1 1413 149 152 GLY H H 8.63 0.02 1 1414 149 152 GLY HA2 H 4.05 0.02 2 1415 149 152 GLY HA3 H 3.58 0.02 2 1416 149 152 GLY C C 173.82 0.25 1 1417 149 152 GLY CA C 45.53 0.25 1 1418 149 152 GLY N N 111.07 0.15 1 1419 150 153 LYS H H 7.52 0.02 1 1420 150 153 LYS HA H 4.33 0.02 1 1421 150 153 LYS HG2 H 1.25 0.02 2 1422 150 153 LYS HG3 H 1.17 0.02 2 1423 150 153 LYS HD2 H 1.63 0.02 2 1424 150 153 LYS HD3 H 1.52 0.02 2 1425 150 153 LYS HE2 H 2.89 0.02 2 1426 150 153 LYS HE3 H 2.88 0.02 2 1427 150 153 LYS C C 175.11 0.25 1 1428 150 153 LYS CA C 55.17 0.25 1 1429 150 153 LYS CB C 33.55 0.25 1 1430 150 153 LYS CG C 24.81 0.25 1 1431 150 153 LYS CD C 28.61 0.25 1 1432 150 153 LYS CE C 41.99 0.25 1 1433 150 153 LYS N N 119.38 0.15 1 1434 151 154 GLU H H 8.41 0.02 1 1435 151 154 GLU HA H 4.47 0.02 1 1436 151 154 GLU HB2 H 1.78 0.02 2 1437 151 154 GLU HB3 H 1.88 0.02 2 1438 151 154 GLU HG2 H 1.89 0.02 2 1439 151 154 GLU HG3 H 2.06 0.02 2 1440 151 154 GLU C C 175.51 0.25 1 1441 151 154 GLU CA C 56.34 0.25 1 1442 151 154 GLU CB C 30.01 0.25 1 1443 151 154 GLU CG C 36.97 0.25 1 1444 151 154 GLU N N 122.85 0.15 1 1445 152 155 LEU H H 8.85 0.02 1 1446 152 155 LEU HA H 4.54 0.02 1 1447 152 155 LEU C C 173.75 0.25 1 1448 152 155 LEU CA C 52.82 0.25 1 1449 152 155 LEU N N 127.52 0.15 1 1450 153 156 GLU H H 7.11 0.02 1 1451 153 156 GLU HA H 4.58 0.02 1 1452 153 156 GLU HB2 H 1.83 0.02 2 1453 153 156 GLU HB3 H 1.60 0.02 2 1454 153 156 GLU HG2 H 1.65 0.02 2 1455 153 156 GLU HG3 H 2.07 0.02 2 1456 153 156 GLU C C 175.12 0.25 1 1457 153 156 GLU CA C 55.16 0.25 1 1458 153 156 GLU CG C 36.97 0.25 1 1459 153 156 GLU N N 116.50 0.15 1 1460 154 157 PHE H H 8.91 0.02 1 1461 154 157 PHE HA H 4.86 0.02 1 1462 154 157 PHE HB2 H 2.21 0.02 2 1463 154 157 PHE HB3 H 2.85 0.02 2 1464 154 157 PHE HD1 H 6.74 0.02 3 1465 154 157 PHE HD2 H 6.74 0.02 3 1466 154 157 PHE HE1 H 6.86 0.02 3 1467 154 157 PHE HE2 H 6.86 0.02 3 1468 154 157 PHE HZ H 6.72 0.02 1 1469 154 157 PHE C C 175.63 0.25 1 1470 154 157 PHE CA C 57.19 0.25 1 1471 154 157 PHE CB C 44.25 0.25 1 1472 154 157 PHE N N 115.15 0.15 1 1473 155 158 LYS H H 8.10 0.02 1 1474 155 158 LYS HA H 4.71 0.02 1 1475 155 158 LYS C C 176.50 0.25 1 1476 155 158 LYS CA C 53.60 0.25 1 1477 155 158 LYS CB C 33.96 0.25 1 1478 155 158 LYS CE C 41.79 0.25 1 1479 155 158 LYS N N 114.56 0.15 1 1480 156 159 VAL H H 9.92 0.02 1 1481 156 159 VAL HB H 1.98 0.02 1 1482 156 159 VAL HG1 H 0.72 0.02 2 1483 156 159 VAL HG2 H 0.72 0.02 2 1484 156 159 VAL C C 175.63 0.25 1 1485 156 159 VAL CA C 62.69 0.25 1 1486 156 159 VAL CB C 31.60 0.25 1 1487 156 159 VAL CG1 C 21.52 0.25 2 1488 156 159 VAL CG2 C 22.93 0.25 2 1489 156 159 VAL N N 124.53 0.15 1 1490 157 160 ILE H H 8.53 0.02 1 1491 157 160 ILE HA H 4.72 0.02 1 1492 157 160 ILE HB H 1.97 0.02 1 1493 157 160 ILE HG2 H 0.76 0.02 1 1494 157 160 ILE HD1 H 0.69 0.02 1 1495 157 160 ILE C C 176.19 0.25 1 1496 157 160 ILE CA C 61.05 0.25 1 1497 157 160 ILE CB C 39.17 0.25 1 1498 157 160 ILE CG1 C 26.86 0.25 1 1499 157 160 ILE CG2 C 18.48 0.25 1 1500 157 160 ILE CD1 C 14.04 0.25 1 1501 157 160 ILE N N 119.59 0.15 1 1502 158 161 LYS H H 7.60 0.02 1 1503 158 161 LYS HA H 4.20 0.02 1 1504 158 161 LYS HG3 H 1.33 0.02 1 1505 158 161 LYS C C 173.00 0.25 1 1506 158 161 LYS CA C 56.80 0.25 1 1507 158 161 LYS CB C 35.64 0.25 1 1508 158 161 LYS CE C 43.01 0.25 1 1509 158 161 LYS N N 122.46 0.15 1 1510 159 162 LEU H H 7.95 0.02 1 1511 159 162 LEU HA H 4.62 0.02 1 1512 159 162 LEU HB3 H 1.25 0.02 1 1513 159 162 LEU HD1 H 0.70 0.02 1 1514 159 162 LEU C C 174.39 0.25 1 1515 159 162 LEU CA C 54.51 0.25 1 1516 159 162 LEU N N 125.43 0.15 1 1517 160 163 ASP H H 8.76 0.02 1 1518 160 163 ASP HA H 4.67 0.02 1 1519 160 163 ASP HB2 H 2.39 0.02 2 1520 160 163 ASP HB3 H 2.43 0.02 2 1521 160 163 ASP C C 176.02 0.25 1 1522 160 163 ASP CA C 52.62 0.25 1 1523 160 163 ASP CB C 42.05 0.25 1 1524 160 163 ASP N N 124.74 0.15 1 1525 161 164 GLN H H 9.11 0.02 1 1526 161 164 GLN HA H 3.12 0.02 1 1527 161 164 GLN HB2 H 1.50 0.02 2 1528 161 164 GLN HB3 H 1.55 0.02 2 1529 161 164 GLN HG2 H 1.23 0.02 2 1530 161 164 GLN HG3 H 1.56 0.02 2 1531 161 164 GLN HE21 H 6.61 0.02 1 1532 161 164 GLN HE22 H 7.01 0.02 1 1533 161 164 GLN C C 178.28 0.25 1 1534 161 164 GLN CA C 58.77 0.25 1 1535 161 164 GLN CB C 27.84 0.25 1 1536 161 164 GLN CG C 32.85 0.25 1 1537 161 164 GLN N N 126.49 0.15 1 1538 161 164 GLN NE2 N 110.77 0.15 1 1539 162 165 LYS H H 8.07 0.02 1 1540 162 165 LYS HA H 3.80 0.02 1 1541 162 165 LYS C C 177.90 0.25 1 1542 162 165 LYS CA C 58.70 0.25 1 1543 162 165 LYS CB C 31.39 0.25 1 1544 162 165 LYS CG C 24.86 0.25 1 1545 162 165 LYS CD C 28.88 0.25 1 1546 162 165 LYS CE C 41.83 0.25 1 1547 162 165 LYS N N 119.15 0.15 1 1548 163 166 ARG H H 7.01 0.02 1 1549 163 166 ARG HA H 4.15 0.02 1 1550 163 166 ARG HB2 H 1.85 0.02 2 1551 163 166 ARG HB3 H 1.44 0.02 2 1552 163 166 ARG C C 174.75 0.25 1 1553 163 166 ARG CA C 54.80 0.25 1 1554 163 166 ARG N N 114.85 0.15 1 1555 164 167 ASN H H 7.75 0.02 1 1556 164 167 ASN HA H 4.13 0.02 1 1557 164 167 ASN HB2 H 2.52 0.02 2 1558 164 167 ASN HB3 H 3.04 0.02 2 1559 164 167 ASN HD21 H 7.26 0.02 1 1560 164 167 ASN HD22 H 6.55 0.02 1 1561 164 167 ASN C C 173.88 0.25 1 1562 164 167 ASN CA C 53.96 0.25 1 1563 164 167 ASN CB C 37.53 0.25 1 1564 164 167 ASN N N 117.81 0.15 1 1565 164 167 ASN ND2 N 111.04 0.15 1 1566 165 168 ASN H H 8.02 0.02 1 1567 165 168 ASN HA H 5.06 0.02 1 1568 165 168 ASN HB2 H 2.35 0.02 2 1569 165 168 ASN HB3 H 2.57 0.02 2 1570 165 168 ASN HD21 H 7.46 0.02 1 1571 165 168 ASN HD22 H 6.48 0.02 1 1572 165 168 ASN C C 172.99 0.25 1 1573 165 168 ASN CA C 52.44 0.25 1 1574 165 168 ASN CB C 41.82 0.25 1 1575 165 168 ASN N N 116.17 0.15 1 1576 165 168 ASN ND2 N 110.40 0.15 1 1577 166 169 VAL H H 8.38 0.02 1 1578 166 169 VAL HA H 4.50 0.02 1 1579 166 169 VAL HB H 1.88 0.02 1 1580 166 169 VAL HG2 H 0.75 0.02 1 1581 166 169 VAL C C 174.19 0.25 1 1582 166 169 VAL CA C 61.03 0.25 1 1583 166 169 VAL CB C 34.62 0.25 1 1584 166 169 VAL CG2 C 21.92 0.25 1 1585 166 169 VAL N N 124.79 0.15 1 1586 167 170 VAL H H 8.71 0.02 1 1587 167 170 VAL HA H 5.25 0.02 1 1588 167 170 VAL HB H 1.76 0.02 1 1589 167 170 VAL HG1 H 0.96 0.02 2 1590 167 170 VAL HG2 H 0.97 0.02 2 1591 167 170 VAL C C 176.00 0.25 1 1592 167 170 VAL CA C 60.61 0.25 1 1593 167 170 VAL CB C 33.90 0.25 1 1594 167 170 VAL CG1 C 21.53 0.25 2 1595 167 170 VAL CG2 C 21.55 0.25 2 1596 167 170 VAL N N 128.00 0.15 1 1597 168 171 VAL H H 8.56 0.02 1 1598 168 171 VAL HA H 5.24 0.02 1 1599 168 171 VAL HB H 1.86 0.02 1 1600 168 171 VAL HG1 H -0.04 0.02 2 1601 168 171 VAL HG2 H 0.36 0.02 2 1602 168 171 VAL C C 172.80 0.25 1 1603 168 171 VAL CA C 57.86 0.25 1 1604 168 171 VAL CB C 35.35 0.25 1 1605 168 171 VAL CG1 C 18.18 0.25 2 1606 168 171 VAL CG2 C 22.04 0.25 2 1607 168 171 VAL N N 118.36 0.15 1 1608 169 172 SER H H 8.60 0.02 1 1609 169 172 SER HA H 4.48 0.02 1 1610 169 172 SER HB2 H 3.60 0.02 2 1611 169 172 SER HB3 H 3.66 0.02 2 1612 169 172 SER C C 175.95 0.25 1 1613 169 172 SER CA C 55.55 0.25 1 1614 169 172 SER CB C 64.98 0.25 1 1615 169 172 SER N N 106.72 0.15 1 1616 170 173 ARG H H 7.61 0.02 1 1617 170 173 ARG HA H 4.71 0.02 1 1618 170 173 ARG C C 177.87 0.25 1 1619 170 173 ARG CA C 57.15 0.25 1 1620 170 173 ARG N N 129.62 0.15 1 1621 171 174 ARG H H 8.26 0.02 1 1622 171 174 ARG HA H 3.47 0.02 1 1623 171 174 ARG HB3 H 1.44 0.02 1 1624 171 174 ARG HG3 H 1.22 0.02 1 1625 171 174 ARG HD2 H 3.06 0.02 2 1626 171 174 ARG HD3 H 3.17 0.02 2 1627 171 174 ARG C C 175.76 0.25 1 1628 171 174 ARG CA C 59.43 0.25 1 1629 171 174 ARG CB C 30.41 0.25 1 1630 171 174 ARG CG C 27.11 0.25 1 1631 171 174 ARG CD C 43.65 0.25 1 1632 171 174 ARG N N 122.23 0.15 1 1633 172 175 ALA H H 7.76 0.02 1 1634 172 175 ALA HA H 4.05 0.02 1 1635 172 175 ALA HB H 1.20 0.02 1 1636 172 175 ALA C C 179.48 0.25 1 1637 172 175 ALA CA C 54.01 0.25 1 1638 172 175 ALA CB C 18.89 0.25 1 1639 172 175 ALA N N 116.49 0.15 1 1640 173 176 VAL H H 7.21 0.02 1 1641 173 176 VAL HA H 3.47 0.02 1 1642 173 176 VAL HB H 2.09 0.02 1 1643 173 176 VAL HG1 H 0.81 0.02 2 1644 173 176 VAL HG2 H 0.75 0.02 2 1645 173 176 VAL C C 177.68 0.25 1 1646 173 176 VAL CA C 65.08 0.25 1 1647 173 176 VAL CB C 31.88 0.25 1 1648 173 176 VAL CG1 C 22.99 0.25 2 1649 173 176 VAL CG2 C 21.29 0.25 2 1650 173 176 VAL N N 116.44 0.15 1 1651 174 177 ILE H H 7.16 0.02 1 1652 174 177 ILE HA H 3.68 0.02 1 1653 174 177 ILE HB H 1.68 0.02 1 1654 174 177 ILE HG12 H 1.39 0.02 2 1655 174 177 ILE HG13 H 1.09 0.02 2 1656 174 177 ILE HG2 H 0.84 0.02 1 1657 174 177 ILE HD1 H 0.75 0.02 1 1658 174 177 ILE C C 178.31 0.25 1 1659 174 177 ILE CA C 63.77 0.25 1 1660 174 177 ILE CB C 38.45 0.25 1 1661 174 177 ILE CG1 C 27.67 0.25 1 1662 174 177 ILE CG2 C 17.67 0.25 1 1663 174 177 ILE CD1 C 13.55 0.25 1 1664 174 177 ILE N N 119.79 0.15 1 1665 175 178 GLU H H 8.25 0.02 1 1666 175 178 GLU HA H 4.03 0.02 1 1667 175 178 GLU HB2 H 1.91 0.02 2 1668 175 178 GLU HB3 H 1.84 0.02 2 1669 175 178 GLU HG2 H 2.10 0.02 2 1670 175 178 GLU HG3 H 2.15 0.02 2 1671 175 178 GLU C C 177.17 0.25 1 1672 175 178 GLU CA C 57.19 0.25 1 1673 175 178 GLU CB C 29.64 0.25 1 1674 175 178 GLU CG C 36.14 0.25 1 1675 175 178 GLU N N 117.81 0.15 1 1676 176 179 SER H H 7.46 0.02 1 1677 176 179 SER HA H 4.32 0.02 1 1678 176 179 SER HB2 H 3.89 0.02 2 1679 176 179 SER HB3 H 3.85 0.02 2 1680 176 179 SER C C 174.93 0.25 1 1681 176 179 SER CA C 59.06 0.25 1 1682 176 179 SER CB C 63.64 0.25 1 1683 176 179 SER N N 114.30 0.15 1 1684 177 180 GLU H H 7.89 0.02 1 1685 177 180 GLU HA H 4.17 0.02 1 1686 177 180 GLU HB2 H 1.96 0.02 2 1687 177 180 GLU HB3 H 1.89 0.02 2 1688 177 180 GLU HG2 H 2.13 0.02 2 1689 177 180 GLU HG3 H 2.23 0.02 2 1690 177 180 GLU C C 176.34 0.25 1 1691 177 180 GLU CA C 56.64 0.25 1 1692 177 180 GLU CB C 29.75 0.25 1 1693 177 180 GLU CG C 36.21 0.25 1 1694 177 180 GLU N N 121.86 0.15 1 1695 178 181 ASN H H 8.11 0.02 1 1696 178 181 ASN HA H 4.70 0.02 1 1697 178 181 ASN HB2 H 2.77 0.02 2 1698 178 181 ASN HB3 H 2.62 0.02 2 1699 178 181 ASN HD21 H 6.84 0.02 1 1700 178 181 ASN HD22 H 7.52 0.02 1 1701 178 181 ASN C C 174.23 0.25 1 1702 178 181 ASN CA C 53.01 0.25 1 1703 178 181 ASN CB C 39.08 0.25 1 1704 178 181 ASN N N 119.03 0.15 1 1705 178 181 ASN ND2 N 113.23 0.15 1 1706 179 182 SER H H 7.76 0.02 1 1707 179 182 SER HA H 4.15 0.02 1 1708 179 182 SER HB2 H 3.75 0.02 1 1709 179 182 SER HB3 H 3.75 0.02 1 1710 179 182 SER CA C 59.92 0.25 1 1711 179 182 SER CB C 64.68 0.25 1 1712 179 182 SER N N 121.47 0.15 1 stop_ save_