data_19550 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Domain 1 of E. coli ribosomal protein S1 ; _BMRB_accession_number 19550 _BMRB_flat_file_name bmr19550.str _Entry_type original _Submission_date 2013-10-11 _Accession_date 2013-10-11 _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" 533 "13C chemical shifts" 389 "15N chemical shifts" 95 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2014-04-14 original author . stop_ loop_ _Related_BMRB_accession_number _Relationship 19554 'Domain 2 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 S1F1 _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label S1F1 $S1F1 stop_ _System_molecular_weight 10408.6085 _System_physical_state native _System_oligomer_state ? _System_paramagnetic no _System_thiol_state 'not present' _Database_query_date . _Details . save_ ######################## # Monomeric polymers # ######################## save_S1F1 _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common S1F1 _Molecular_mass 10408.6085 _Mol_thiol_state 'not present' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 96 _Mol_residue_sequence ; GIDPFTESLKEIETRPGSIV RGVVVAIDKDVVLVDAGLKS ESAIPAEQFKNAQGELEIQV GDEVDVALDAVEDGFGETLL SREKAKRHEAWITLEK ; loop_ _Residue_seq_code _Residue_author_seq_code _Residue_label 1 5 GLY 2 6 ILE 3 7 ASP 4 8 PRO 5 9 PHE 6 10 THR 7 11 GLU 8 12 SER 9 13 LEU 10 14 LYS 11 15 GLU 12 16 ILE 13 17 GLU 14 18 THR 15 19 ARG 16 20 PRO 17 21 GLY 18 22 SER 19 23 ILE 20 24 VAL 21 25 ARG 22 26 GLY 23 27 VAL 24 28 VAL 25 29 VAL 26 30 ALA 27 31 ILE 28 32 ASP 29 33 LYS 30 34 ASP 31 35 VAL 32 36 VAL 33 37 LEU 34 38 VAL 35 39 ASP 36 40 ALA 37 41 GLY 38 42 LEU 39 43 LYS 40 44 SER 41 45 GLU 42 46 SER 43 47 ALA 44 48 ILE 45 49 PRO 46 50 ALA 47 51 GLU 48 52 GLN 49 53 PHE 50 54 LYS 51 55 ASN 52 56 ALA 53 57 GLN 54 58 GLY 55 59 GLU 56 60 LEU 57 61 GLU 58 62 ILE 59 63 GLN 60 64 VAL 61 65 GLY 62 66 ASP 63 67 GLU 64 68 VAL 65 69 ASP 66 70 VAL 67 71 ALA 68 72 LEU 69 73 ASP 70 74 ALA 71 75 VAL 72 76 GLU 73 77 ASP 74 78 GLY 75 79 PHE 76 80 GLY 77 81 GLU 78 82 THR 79 83 LEU 80 84 LEU 81 85 SER 82 86 ARG 83 87 GLU 84 88 LYS 85 89 ALA 86 90 LYS 87 91 ARG 88 92 HIS 89 93 GLU 90 94 ALA 91 95 TRP 92 96 ILE 93 97 THR 94 98 LEU 95 99 GLU 96 100 LYS 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 19554 S1F12 95.83 182 98.91 98.91 8.40e-54 PDB 2MFI "Domain 1 Of E. Coli Ribosomal Protein S1" 100.00 96 100.00 100.00 8.90e-59 PDB 2MFL "Domain 2 Of E. Coli Ribosomal Protein S1" 95.83 182 98.91 98.91 8.40e-54 PDB 4Q7J "Complex Structure Of Viral Rna Polymerase" 95.83 281 98.91 98.91 3.21e-52 PDB 4R71 "Structure Of The Qbeta Holoenzyme Complex In The P1211 Crystal Form" 95.83 171 98.91 98.91 1.45e-53 PDB 4TOI "Crystal Structure Of E.coli Ribosomal Protein S2 In Complex With N- Terminal Domain Of S1" 79.17 326 98.68 98.68 2.61e-39 DBJ BAA35655 "30S ribosomal subunit protein S1 [Escherichia coli str. K12 substr. W3110]" 95.83 557 98.91 98.91 4.71e-50 DBJ BAB34417 "30S ribosomal subunit protein S1 [Escherichia coli O157:H7 str. Sakai]" 95.83 557 98.91 98.91 4.71e-50 DBJ BAG76494 "30S ribosomal protein S1 [Escherichia coli SE11]" 95.83 557 98.91 98.91 4.71e-50 DBJ BAH62634 "30S ribosomal protein S1 [Klebsiella pneumoniae subsp. pneumoniae NTUH-K2044]" 95.83 557 98.91 98.91 4.08e-50 DBJ BAI24353 "30S ribosomal subunit protein S1 [Escherichia coli O26:H11 str. 11368]" 95.83 557 98.91 98.91 4.71e-50 EMBL CAA23630 "unnamed protein product [Escherichia coli]" 95.83 556 98.91 98.91 5.11e-50 EMBL CAA23644 "S1 ribosomal protein [Escherichia coli]" 95.83 556 98.91 98.91 5.78e-50 EMBL CAD05381 "30S ribosomal protein S1 [Salmonella enterica subsp. enterica serovar Typhi str. CT18]" 95.83 557 98.91 98.91 4.96e-50 EMBL CAP75381 "30S ribosomal protein S1 [Escherichia coli LF82]" 95.83 557 98.91 98.91 4.71e-50 EMBL CAQ31439 "30S ribosomal subunit protein S1, subunit of 30S ribosomal subunit and ribosome [Escherichia coli BL21(DE3)]" 95.83 557 98.91 98.91 4.71e-50 GB AAC73997 "30S ribosomal subunit protein S1 [Escherichia coli str. K-12 substr. MG1655]" 95.83 557 98.91 98.91 4.71e-50 GB AAG55396 "30S ribosomal subunit protein S1 [Escherichia coli O157:H7 str. EDL933]" 95.83 557 98.91 98.91 4.71e-50 GB AAL19915 "30S ribosomal subunit protein S1 [Salmonella enterica subsp. enterica serovar Typhimurium str. LT2]" 95.83 557 98.91 98.91 4.96e-50 GB AAN42537 "30S ribosomal subunit protein S1 [Shigella flexneri 2a str. 301]" 95.83 557 98.91 98.91 4.71e-50 GB AAN79519 "30S ribosomal protein S1 [Escherichia coli CFT073]" 95.83 557 98.91 98.91 4.71e-50 PIR AC0614 "30S ribosomal protein S1 [imported] - Salmonella enterica subsp. enterica serovar Typhi (strain CT18)" 95.83 557 98.91 98.91 4.96e-50 PRF 0804233A "protein S1" 95.83 557 98.91 98.91 5.01e-50 REF NP_309021 "30S ribosomal protein S1 [Escherichia coli O157:H7 str. Sakai]" 95.83 557 98.91 98.91 4.71e-50 REF NP_415431 "30S ribosomal subunit protein S1 [Escherichia coli str. K-12 substr. MG1655]" 95.83 557 98.91 98.91 4.71e-50 REF NP_455468 "30S ribosomal protein S1 [Salmonella enterica subsp. enterica serovar Typhi str. CT18]" 95.83 557 98.91 98.91 4.96e-50 REF NP_459956 "30S ribosomal protein S1 [Salmonella enterica subsp. enterica serovar Typhimurium str. LT2]" 95.83 557 98.91 98.91 4.96e-50 REF NP_706830 "30S ribosomal protein S1 [Shigella flexneri 2a str. 301]" 95.83 557 98.91 98.91 4.71e-50 SP P0AG67 "RecName: Full=30S ribosomal protein S1; AltName: Full=Bacteriophage Q beta RNA-directed RNA polymerase subunit I" 95.83 557 98.91 98.91 4.71e-50 SP P0AG68 "RecName: Full=30S ribosomal protein S1" 95.83 557 98.91 98.91 4.71e-50 SP P0AG69 "RecName: Full=30S ribosomal protein S1" 95.83 557 98.91 98.91 4.71e-50 SP P0AG70 "RecName: Full=30S ribosomal protein S1" 95.83 557 98.91 98.91 4.71e-50 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 $S1F1 'E. coli' 562 Bacteria . Escherichia coli K12 P0AG67 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 $S1F1 'recombinant technology' 'Escherichia coli' Escherichia coli BL21(DE3)pLysS pET151:D-TOPO stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_S1F1-15N13C-H2O _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $S1F1 0.2 mM '[U-99% 13C; U-99% 15N]' 'potassium phosphate' 25.0 mM 'natural abundance' 'potassium chloride' 200.0 mM 'natural abundance' H2O 93 % 'natural abundance' D2O 7 % '[U-100% 2H]' stop_ save_ save_S1F1-15N13C-D2O _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $S1F1 0.2 mM '[U-99% 13C; U-99% 15N]' 'potassium phosphate' 25.0 mM 'natural abundance' 'potassium chloride' 200.0 mM 'natural abundance' D2O 100 % '[U-100% 2H]' stop_ save_ save_S1F1-15N _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $S1F1 0.5 mM '[U-99% 13C; U-99% 15N]' 'potassium phosphate' 25.0 mM 'natural abundance' 'potassium chloride' 200.0 mM 'natural abundance' H2O 93 % 'natural abundance' D2O 7 % '[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 . . 'Guntert, Mumenthaler and Wuthrich' '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 $S1F1-15N13C-H2O save_ save_3D_HNCA_2 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCA' _Sample_label $S1F1-15N13C-H2O save_ save_3D_HN(CO)CA_3 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HN(CO)CA' _Sample_label $S1F1-15N13C-H2O save_ save_3D_HNCACB_4 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCACB' _Sample_label $S1F1-15N13C-H2O save_ save_3D_HCCH-TOCSY_5 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HCCH-TOCSY' _Sample_label $S1F1-15N13C-D2O save_ save_3D_HNCO_6 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCO' _Sample_label $S1F1-15N13C-H2O save_ save_3D_HN(CA)CO_7 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HN(CA)CO' _Sample_label $S1F1-15N13C-H2O save_ save_3D_1H-15N_NOESY_8 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-15N NOESY' _Sample_label $S1F1-15N save_ save_3D_1H-13C_NOESY_9 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-13C NOESY' _Sample_label $S1F1-15N13C-D2O save_ save_2D_1H-13C_HSQC_10 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-13C HSQC' _Sample_label $S1F1-15N13C-D2O save_ save_3D_CCH-TOCSY_11 _Saveframe_category NMR_applied_experiment _Experiment_name '3D CCH-TOCSY' _Sample_label $S1F1-15N13C-D2O save_ save_3D_HCCH-TOCSY_aromatic_12 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HCCH-TOCSY aromatic' _Sample_label $S1F1-15N13C-D2O save_ save_2D_1H-1H_NOESY_13 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-1H NOESY' _Sample_label $S1F1-15N13C-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 6.500 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 '2D 1H-15N HSQC' '3D HNCA' '3D HN(CO)CA' '3D HNCACB' '3D HCCH-TOCSY' '3D HNCO' '3D HN(CA)CO' '3D CCH-TOCSY' '3D HCCH-TOCSY aromatic' '2D 1H-1H NOESY' stop_ loop_ _Sample_label $S1F1-15N13C-H2O $S1F1-15N13C-D2O stop_ _Sample_conditions_label $Condition_1 _Chem_shift_reference_set_label $chemical_shift_reference_1 _Mol_system_component_name S1F1 _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 5 1 GLY HA2 H 3.73 0.02 2 2 5 1 GLY HA3 H 3.73 0.02 2 3 5 1 GLY CA C 43.10 0.25 1 4 6 2 ILE H H 8.36 0.02 1 5 6 2 ILE HA H 4.10 0.02 1 6 6 2 ILE HB H 1.71 0.02 1 7 6 2 ILE HG12 H 1.05 0.02 2 8 6 2 ILE HG13 H 1.32 0.02 2 9 6 2 ILE HG2 H 0.76 0.02 1 10 6 2 ILE HD1 H 0.73 0.02 1 11 6 2 ILE C C 175.70 0.25 1 12 6 2 ILE CA C 60.89 0.25 1 13 6 2 ILE CB C 39.08 0.25 1 14 6 2 ILE CG1 C 27.19 0.25 1 15 6 2 ILE CG2 C 17.42 0.25 1 16 6 2 ILE CD1 C 13.03 0.25 1 17 6 2 ILE N N 119.41 0.15 1 18 7 3 ASP H H 8.42 0.02 1 19 7 3 ASP HA H 4.80 0.02 1 20 7 3 ASP HB2 H 2.68 0.02 2 21 7 3 ASP HB3 H 2.46 0.02 2 22 7 3 ASP C C 174.61 0.25 1 23 7 3 ASP CA C 51.91 0.25 1 24 7 3 ASP CB C 41.24 0.25 1 25 7 3 ASP N N 126.10 0.15 1 26 8 4 PRO HA H 4.24 0.02 1 27 8 4 PRO HB2 H 1.57 0.02 2 28 8 4 PRO HB3 H 2.08 0.02 2 29 8 4 PRO HG2 H 1.81 0.02 2 30 8 4 PRO HG3 H 1.69 0.02 2 31 8 4 PRO HD2 H 3.66 0.02 2 32 8 4 PRO HD3 H 3.77 0.02 2 33 8 4 PRO C C 177.11 0.25 1 34 8 4 PRO CA C 63.54 0.25 1 35 8 4 PRO CB C 31.88 0.25 1 36 8 4 PRO CG C 26.92 0.25 1 37 8 4 PRO CD C 50.83 0.25 1 38 9 5 PHE H H 8.21 0.02 1 39 9 5 PHE HA H 4.49 0.02 1 40 9 5 PHE HB2 H 3.09 0.02 2 41 9 5 PHE HB3 H 3.02 0.02 2 42 9 5 PHE HD1 H 7.18 0.02 3 43 9 5 PHE HD2 H 7.18 0.02 3 44 9 5 PHE HE1 H 7.24 0.02 3 45 9 5 PHE HE2 H 7.24 0.02 3 46 9 5 PHE HZ H 7.19 0.02 1 47 9 5 PHE C C 176.38 0.25 1 48 9 5 PHE CA C 58.32 0.25 1 49 9 5 PHE CB C 38.77 0.25 1 50 9 5 PHE CD1 C 131.82 0.25 3 51 9 5 PHE CD2 C 131.82 0.25 3 52 9 5 PHE CE1 C 131.60 0.25 3 53 9 5 PHE CE2 C 131.60 0.25 3 54 9 5 PHE CZ C 129.71 0.25 1 55 9 5 PHE N N 119.02 0.15 1 56 10 6 THR H H 7.74 0.02 1 57 10 6 THR HA H 4.11 0.02 1 58 10 6 THR HB H 4.07 0.02 1 59 10 6 THR HG2 H 1.10 0.02 1 60 10 6 THR C C 174.66 0.25 1 61 10 6 THR CA C 62.49 0.25 1 62 10 6 THR CB C 69.55 0.25 1 63 10 6 THR CG2 C 21.52 0.25 1 64 10 6 THR N N 115.23 0.15 1 65 11 7 GLU H H 8.17 0.02 1 66 11 7 GLU HA H 4.12 0.02 1 67 11 7 GLU HB2 H 1.85 0.02 2 68 11 7 GLU HB3 H 1.96 0.02 2 69 11 7 GLU HG2 H 2.16 0.02 1 70 11 7 GLU HG3 H 2.16 0.02 1 71 11 7 GLU C C 176.62 0.25 1 72 11 7 GLU CA C 56.92 0.25 1 73 11 7 GLU CB C 29.90 0.25 1 74 11 7 GLU N N 122.99 0.15 1 75 12 8 SER H H 8.15 0.02 1 76 12 8 SER HA H 4.29 0.02 1 77 12 8 SER HB2 H 3.76 0.02 1 78 12 8 SER HB3 H 3.76 0.02 1 79 12 8 SER C C 174.57 0.25 1 80 12 8 SER CA C 58.54 0.25 1 81 12 8 SER CB C 63.46 0.25 1 82 12 8 SER N N 116.41 0.15 1 83 13 9 LEU H H 8.05 0.02 1 84 13 9 LEU HA H 4.21 0.02 1 85 13 9 LEU HB2 H 1.55 0.02 2 86 13 9 LEU HB3 H 1.50 0.02 2 87 13 9 LEU HG H 1.52 0.02 1 88 13 9 LEU HD1 H 0.77 0.02 2 89 13 9 LEU HD2 H 0.77 0.02 2 90 13 9 LEU C C 177.37 0.25 1 91 13 9 LEU CA C 55.24 0.25 1 92 13 9 LEU CB C 42.06 0.25 1 93 13 9 LEU CG C 26.78 0.25 1 94 13 9 LEU CD1 C 23.36 0.25 2 95 13 9 LEU CD2 C 24.68 0.25 2 96 13 9 LEU N N 123.78 0.15 1 97 14 10 LYS H H 8.03 0.02 1 98 14 10 LYS HA H 4.16 0.02 1 99 14 10 LYS HB2 H 1.65 0.02 2 100 14 10 LYS HB3 H 1.71 0.02 2 101 14 10 LYS HG2 H 1.30 0.02 2 102 14 10 LYS HG3 H 1.34 0.02 2 103 14 10 LYS HD2 H 1.57 0.02 2 104 14 10 LYS HD3 H 1.56 0.02 2 105 14 10 LYS HE2 H 2.87 0.02 2 106 14 10 LYS HE3 H 2.86 0.02 2 107 14 10 LYS C C 176.56 0.25 1 108 14 10 LYS CA C 56.34 0.25 1 109 14 10 LYS CB C 32.95 0.25 1 110 14 10 LYS CG C 24.63 0.25 1 111 14 10 LYS CD C 28.83 0.25 1 112 14 10 LYS CE C 41.82 0.25 1 113 14 10 LYS N N 121.43 0.15 1 114 15 11 GLU H H 8.23 0.02 1 115 15 11 GLU HA H 4.16 0.02 1 116 15 11 GLU HB2 H 1.94 0.02 2 117 15 11 GLU HB3 H 1.83 0.02 2 118 15 11 GLU HG2 H 2.13 0.02 2 119 15 11 GLU HG3 H 2.17 0.02 2 120 15 11 GLU C C 176.41 0.25 1 121 15 11 GLU CA C 56.53 0.25 1 122 15 11 GLU N N 121.69 0.15 1 123 16 12 ILE H H 8.01 0.02 1 124 16 12 ILE HA H 4.02 0.02 1 125 16 12 ILE HB H 1.75 0.02 1 126 16 12 ILE HG12 H 1.08 0.02 2 127 16 12 ILE HG13 H 1.36 0.02 2 128 16 12 ILE HG2 H 0.79 0.02 1 129 16 12 ILE HD1 H 0.75 0.02 1 130 16 12 ILE C C 176.16 0.25 1 131 16 12 ILE CA C 61.13 0.25 1 132 16 12 ILE CB C 38.83 0.25 1 133 16 12 ILE CG1 C 27.30 0.25 1 134 16 12 ILE CG2 C 17.46 0.25 1 135 16 12 ILE CD1 C 12.99 0.25 1 136 16 12 ILE N N 121.20 0.15 1 137 17 13 GLU H H 8.34 0.02 1 138 17 13 GLU HA H 4.24 0.02 1 139 17 13 GLU HB2 H 1.93 0.02 2 140 17 13 GLU HB3 H 1.87 0.02 2 141 17 13 GLU HG2 H 2.15 0.02 1 142 17 13 GLU HG3 H 2.15 0.02 1 143 17 13 GLU C C 176.31 0.25 1 144 17 13 GLU CA C 56.41 0.25 1 145 17 13 GLU N N 124.67 0.15 1 146 18 14 THR H H 8.09 0.02 1 147 18 14 THR HA H 4.20 0.02 1 148 18 14 THR HB H 4.04 0.02 1 149 18 14 THR HG2 H 1.07 0.02 1 150 18 14 THR C C 174.11 0.25 1 151 18 14 THR CA C 61.57 0.25 1 152 18 14 THR CB C 69.72 0.25 1 153 18 14 THR N N 116.05 0.15 1 154 19 15 ARG H H 8.35 0.02 1 155 19 15 ARG HA H 4.53 0.02 1 156 19 15 ARG HB2 H 1.63 0.02 2 157 19 15 ARG HB3 H 1.73 0.02 2 158 19 15 ARG HG2 H 1.55 0.02 2 159 19 15 ARG HG3 H 1.55 0.02 2 160 19 15 ARG HD2 H 3.08 0.02 2 161 19 15 ARG HD3 H 3.07 0.02 2 162 19 15 ARG CA C 53.92 0.25 1 163 19 15 ARG CB C 30.08 0.25 1 164 19 15 ARG CG C 26.80 0.25 1 165 19 15 ARG CD C 43.20 0.25 1 166 19 15 ARG N N 124.91 0.15 1 167 20 16 PRO HA H 4.32 0.02 1 168 20 16 PRO HB2 H 1.83 0.02 2 169 20 16 PRO HB3 H 2.19 0.02 2 170 20 16 PRO HG2 H 1.95 0.02 2 171 20 16 PRO HG3 H 1.88 0.02 2 172 20 16 PRO HD2 H 3.72 0.02 2 173 20 16 PRO HD3 H 3.52 0.02 2 174 20 16 PRO C C 177.24 0.25 1 175 20 16 PRO CA C 63.42 0.25 1 176 20 16 PRO CB C 31.98 0.25 1 177 20 16 PRO CG C 27.40 0.25 1 178 20 16 PRO CD C 50.63 0.25 1 179 21 17 GLY H H 8.46 0.02 1 180 21 17 GLY HA2 H 3.88 0.02 2 181 21 17 GLY HA3 H 3.88 0.02 2 182 21 17 GLY C C 173.99 0.25 1 183 21 17 GLY CA C 45.09 0.25 1 184 21 17 GLY N N 109.69 0.15 1 185 22 18 SER H H 8.10 0.02 1 186 22 18 SER HA H 4.38 0.02 1 187 22 18 SER HB2 H 3.75 0.02 2 188 22 18 SER HB3 H 3.75 0.02 2 189 22 18 SER C C 173.11 0.25 1 190 22 18 SER CA C 58.54 0.25 1 191 22 18 SER CB C 64.06 0.25 1 192 22 18 SER N N 115.17 0.15 1 193 23 19 ILE H H 7.97 0.02 1 194 23 19 ILE HA H 4.68 0.02 1 195 23 19 ILE HB H 1.61 0.02 1 196 23 19 ILE HG12 H 0.99 0.02 2 197 23 19 ILE HG13 H 1.33 0.02 2 198 23 19 ILE HG2 H 0.63 0.02 1 199 23 19 ILE HD1 H 0.63 0.02 1 200 23 19 ILE C C 175.99 0.25 1 201 23 19 ILE CA C 59.67 0.25 1 202 23 19 ILE CB C 39.19 0.25 1 203 23 19 ILE CG1 C 27.14 0.25 1 204 23 19 ILE CG2 C 17.72 0.25 1 205 23 19 ILE CD1 C 12.12 0.25 1 206 23 19 ILE N N 122.59 0.15 1 207 24 20 VAL H H 8.94 0.02 1 208 24 20 VAL HA H 4.44 0.02 1 209 24 20 VAL HB H 2.02 0.02 1 210 24 20 VAL HG1 H 0.78 0.02 2 211 24 20 VAL HG2 H 0.74 0.02 2 212 24 20 VAL C C 173.35 0.25 1 213 24 20 VAL CA C 59.60 0.25 1 214 24 20 VAL CB C 35.02 0.25 1 215 24 20 VAL CG1 C 21.40 0.25 2 216 24 20 VAL CG2 C 19.90 0.25 2 217 24 20 VAL N N 123.62 0.15 1 218 25 21 ARG H H 8.19 0.02 1 219 25 21 ARG HA H 5.02 0.02 1 220 25 21 ARG HB2 H 1.68 0.02 2 221 25 21 ARG HB3 H 1.61 0.02 2 222 25 21 ARG HG2 H 1.44 0.02 2 223 25 21 ARG HG3 H 1.53 0.02 2 224 25 21 ARG HD2 H 3.02 0.02 2 225 25 21 ARG HD3 H 3.07 0.02 2 226 25 21 ARG C C 176.17 0.25 1 227 25 21 ARG CA C 54.37 0.25 1 228 25 21 ARG CB C 30.72 0.25 1 229 25 21 ARG CG C 26.32 0.25 1 230 25 21 ARG CD C 42.71 0.25 1 231 25 21 ARG N N 123.39 0.15 1 232 26 22 GLY H H 8.89 0.02 1 233 26 22 GLY HA2 H 4.68 0.02 2 234 26 22 GLY HA3 H 3.17 0.02 2 235 26 22 GLY C C 171.12 0.25 1 236 26 22 GLY CA C 43.98 0.25 1 237 26 22 GLY N N 111.51 0.15 1 238 27 23 VAL H H 7.75 0.02 1 239 27 23 VAL HA H 4.79 0.02 1 240 27 23 VAL HB H 1.78 0.02 1 241 27 23 VAL HG1 H 0.74 0.02 2 242 27 23 VAL HG2 H 0.81 0.02 2 243 27 23 VAL C C 175.61 0.25 1 244 27 23 VAL CA C 59.80 0.25 1 245 27 23 VAL CB C 35.12 0.25 1 246 27 23 VAL CG1 C 20.77 0.25 2 247 27 23 VAL CG2 C 21.48 0.25 2 248 27 23 VAL N N 117.44 0.15 1 249 28 24 VAL H H 8.88 0.02 1 250 28 24 VAL HA H 3.79 0.02 1 251 28 24 VAL HB H 2.09 0.02 1 252 28 24 VAL HG1 H 0.57 0.02 2 253 28 24 VAL HG2 H 0.55 0.02 2 254 28 24 VAL C C 176.96 0.25 1 255 28 24 VAL CA C 63.95 0.25 1 256 28 24 VAL CB C 31.54 0.25 1 257 28 24 VAL CG1 C 22.09 0.25 2 258 28 24 VAL CG2 C 22.09 0.25 2 259 28 24 VAL N N 126.62 0.15 1 260 29 25 VAL H H 9.18 0.02 1 261 29 25 VAL HA H 4.31 0.02 1 262 29 25 VAL HB H 1.98 0.02 1 263 29 25 VAL HG1 H 0.89 0.02 2 264 29 25 VAL HG2 H 0.74 0.02 2 265 29 25 VAL C C 175.55 0.25 1 266 29 25 VAL CA C 62.17 0.25 1 267 29 25 VAL CB C 33.38 0.25 1 268 29 25 VAL CG1 C 21.72 0.25 2 269 29 25 VAL CG2 C 19.92 0.25 2 270 29 25 VAL N N 126.20 0.15 1 271 30 26 ALA H H 7.66 0.02 1 272 30 26 ALA HA H 4.32 0.02 1 273 30 26 ALA HB H 1.29 0.02 1 274 30 26 ALA C C 174.32 0.25 1 275 30 26 ALA CA C 52.55 0.25 1 276 30 26 ALA CB C 21.89 0.25 1 277 30 26 ALA N N 121.34 0.15 1 278 31 27 ILE H H 8.46 0.02 1 279 31 27 ILE HA H 4.27 0.02 1 280 31 27 ILE HB H 1.45 0.02 1 281 31 27 ILE HG12 H 1.18 0.02 2 282 31 27 ILE HG13 H 0.67 0.02 2 283 31 27 ILE HG2 H 0.65 0.02 1 284 31 27 ILE HD1 H 0.59 0.02 1 285 31 27 ILE C C 174.30 0.25 1 286 31 27 ILE CA C 61.59 0.25 1 287 31 27 ILE CB C 41.24 0.25 1 288 31 27 ILE CG1 C 28.08 0.25 1 289 31 27 ILE CG2 C 17.63 0.25 1 290 31 27 ILE CD1 C 14.73 0.25 1 291 31 27 ILE N N 120.29 0.15 1 292 32 28 ASP H H 8.51 0.02 1 293 32 28 ASP HA H 4.72 0.02 1 294 32 28 ASP HB2 H 2.56 0.02 2 295 32 28 ASP HB3 H 2.64 0.02 2 296 32 28 ASP C C 174.71 0.25 1 297 32 28 ASP CA C 52.70 0.25 1 298 32 28 ASP CB C 42.87 0.25 1 299 32 28 ASP N N 128.13 0.15 1 300 33 29 LYS H H 8.44 0.02 1 301 33 29 LYS HA H 3.75 0.02 1 302 33 29 LYS HB2 H 1.80 0.02 2 303 33 29 LYS HB3 H 1.69 0.02 2 304 33 29 LYS HG2 H 1.36 0.02 2 305 33 29 LYS HG3 H 1.28 0.02 2 306 33 29 LYS HD2 H 1.56 0.02 2 307 33 29 LYS HD3 H 1.59 0.02 2 308 33 29 LYS HE2 H 2.91 0.02 2 309 33 29 LYS HE3 H 2.90 0.02 2 310 33 29 LYS C C 175.87 0.25 1 311 33 29 LYS CA C 58.74 0.25 1 312 33 29 LYS CB C 31.00 0.25 1 313 33 29 LYS CG C 24.42 0.25 1 314 33 29 LYS CD C 29.00 0.25 1 315 33 29 LYS CE C 41.80 0.25 1 316 33 29 LYS N N 118.56 0.15 1 317 34 30 ASP H H 8.60 0.02 1 318 34 30 ASP HA H 4.68 0.02 1 319 34 30 ASP HB2 H 2.64 0.02 2 320 34 30 ASP HB3 H 2.74 0.02 2 321 34 30 ASP C C 176.48 0.25 1 322 34 30 ASP CA C 55.13 0.25 1 323 34 30 ASP CB C 42.05 0.25 1 324 34 30 ASP N N 116.03 0.15 1 325 35 31 VAL H H 8.10 0.02 1 326 35 31 VAL HA H 4.56 0.02 1 327 35 31 VAL HB H 1.82 0.02 1 328 35 31 VAL HG1 H 0.69 0.02 2 329 35 31 VAL HG2 H 0.74 0.02 2 330 35 31 VAL C C 172.73 0.25 1 331 35 31 VAL CA C 61.16 0.25 1 332 35 31 VAL CB C 36.15 0.25 1 333 35 31 VAL CG1 C 21.64 0.25 2 334 35 31 VAL CG2 C 20.53 0.25 2 335 35 31 VAL N N 120.74 0.15 1 336 36 32 VAL H H 9.04 0.02 1 337 36 32 VAL HA H 4.18 0.02 1 338 36 32 VAL HB H 1.82 0.02 1 339 36 32 VAL HG1 H 0.68 0.02 2 340 36 32 VAL HG2 H 0.42 0.02 2 341 36 32 VAL C C 174.08 0.25 1 342 36 32 VAL CA C 61.01 0.25 1 343 36 32 VAL CB C 33.60 0.25 1 344 36 32 VAL CG1 C 21.49 0.25 2 345 36 32 VAL CG2 C 21.76 0.25 2 346 36 32 VAL N N 125.41 0.15 1 347 37 33 LEU H H 8.68 0.02 1 348 37 33 LEU HA H 5.07 0.02 1 349 37 33 LEU HB2 H 1.14 0.02 2 350 37 33 LEU HB3 H 1.50 0.02 2 351 37 33 LEU HG H 1.36 0.02 1 352 37 33 LEU HD1 H 0.66 0.02 2 353 37 33 LEU HD2 H 0.63 0.02 2 354 37 33 LEU C C 176.57 0.25 1 355 37 33 LEU CA C 53.29 0.25 1 356 37 33 LEU CB C 43.09 0.25 1 357 37 33 LEU CG C 27.00 0.25 1 358 37 33 LEU CD1 C 24.28 0.25 2 359 37 33 LEU CD2 C 23.75 0.25 2 360 37 33 LEU N N 127.34 0.15 1 361 38 34 VAL H H 9.11 0.02 1 362 38 34 VAL HA H 4.65 0.02 1 363 38 34 VAL HB H 1.67 0.02 1 364 38 34 VAL HG1 H 0.51 0.02 2 365 38 34 VAL HG2 H 0.66 0.02 2 366 38 34 VAL C C 174.40 0.25 1 367 38 34 VAL CA C 59.90 0.25 1 368 38 34 VAL CB C 35.48 0.25 1 369 38 34 VAL CG1 C 21.13 0.25 2 370 38 34 VAL CG2 C 21.83 0.25 2 371 38 34 VAL N N 123.16 0.15 1 372 39 35 ASP H H 9.13 0.02 1 373 39 35 ASP HA H 4.86 0.02 1 374 39 35 ASP HB2 H 2.47 0.02 2 375 39 35 ASP HB3 H 2.83 0.02 2 376 39 35 ASP C C 175.67 0.25 1 377 39 35 ASP CA C 52.67 0.25 1 378 39 35 ASP CB C 41.18 0.25 1 379 39 35 ASP N N 124.80 0.15 1 380 40 36 ALA H H 9.20 0.02 1 381 40 36 ALA HA H 4.72 0.02 1 382 40 36 ALA HB H 1.13 0.02 1 383 40 36 ALA C C 176.36 0.25 1 384 40 36 ALA CA C 50.27 0.25 1 385 40 36 ALA CB C 19.18 0.25 1 386 40 36 ALA N N 131.90 0.15 1 387 41 37 GLY H H 8.48 0.02 1 388 41 37 GLY HA2 H 3.74 0.02 2 389 41 37 GLY HA3 H 4.00 0.02 2 390 41 37 GLY C C 174.91 0.25 1 391 41 37 GLY CA C 45.82 0.25 1 392 41 37 GLY N N 106.92 0.15 1 393 42 38 LEU H H 7.53 0.02 1 394 42 38 LEU HA H 4.47 0.02 1 395 42 38 LEU HB2 H 1.91 0.02 2 396 42 38 LEU HB3 H 1.70 0.02 2 397 42 38 LEU HG H 1.42 0.02 1 398 42 38 LEU HD1 H 0.79 0.02 2 399 42 38 LEU HD2 H 0.72 0.02 2 400 42 38 LEU C C 177.12 0.25 1 401 42 38 LEU CA C 53.80 0.25 1 402 42 38 LEU CB C 41.04 0.25 1 403 42 38 LEU CG C 27.28 0.25 1 404 42 38 LEU CD1 C 25.35 0.25 2 405 42 38 LEU CD2 C 22.34 0.25 2 406 42 38 LEU N N 119.14 0.15 1 407 43 39 LYS H H 8.36 0.02 1 408 43 39 LYS HA H 3.90 0.02 1 409 43 39 LYS HB2 H 1.76 0.02 2 410 43 39 LYS HB3 H 1.77 0.02 2 411 43 39 LYS HG2 H 1.33 0.02 2 412 43 39 LYS HG3 H 1.37 0.02 2 413 43 39 LYS HD2 H 1.57 0.02 2 414 43 39 LYS HD3 H 1.58 0.02 2 415 43 39 LYS HE2 H 2.87 0.02 2 416 43 39 LYS HE3 H 2.87 0.02 2 417 43 39 LYS C C 176.33 0.25 1 418 43 39 LYS CA C 58.66 0.25 1 419 43 39 LYS CB C 31.77 0.25 1 420 43 39 LYS CG C 24.85 0.25 1 421 43 39 LYS CD C 28.83 0.25 1 422 43 39 LYS CE C 41.80 0.25 1 423 43 39 LYS N N 118.93 0.15 1 424 44 40 SER H H 7.41 0.02 1 425 44 40 SER HA H 4.48 0.02 1 426 44 40 SER HB2 H 3.67 0.02 2 427 44 40 SER HB3 H 3.62 0.02 2 428 44 40 SER C C 173.60 0.25 1 429 44 40 SER CA C 56.48 0.25 1 430 44 40 SER CB C 65.01 0.25 1 431 44 40 SER N N 110.66 0.15 1 432 45 41 GLU H H 8.82 0.02 1 433 45 41 GLU HA H 4.29 0.02 1 434 45 41 GLU HB2 H 1.80 0.02 2 435 45 41 GLU HB3 H 1.63 0.02 2 436 45 41 GLU HG2 H 2.08 0.02 2 437 45 41 GLU HG3 H 2.10 0.02 2 438 45 41 GLU C C 176.43 0.25 1 439 45 41 GLU CA C 57.71 0.25 1 440 45 41 GLU CB C 29.65 0.25 1 441 45 41 GLU CG C 36.71 0.25 1 442 45 41 GLU N N 122.63 0.15 1 443 46 42 SER H H 9.00 0.02 1 444 46 42 SER HA H 4.53 0.02 1 445 46 42 SER HB2 H 3.49 0.02 2 446 46 42 SER HB3 H 3.67 0.02 2 447 46 42 SER C C 172.07 0.25 1 448 46 42 SER CA C 58.46 0.25 1 449 46 42 SER CB C 64.56 0.25 1 450 46 42 SER N N 119.37 0.15 1 451 47 43 ALA H H 8.53 0.02 1 452 47 43 ALA HA H 4.82 0.02 1 453 47 43 ALA HB H 1.13 0.02 1 454 47 43 ALA C C 176.14 0.25 1 455 47 43 ALA CA C 50.89 0.25 1 456 47 43 ALA CB C 19.56 0.25 1 457 47 43 ALA N N 128.62 0.15 1 458 48 44 ILE H H 9.18 0.02 1 459 48 44 ILE HA H 4.65 0.02 1 460 48 44 ILE HB H 1.90 0.02 1 461 48 44 ILE HG12 H 1.42 0.02 2 462 48 44 ILE HG13 H 1.18 0.02 2 463 48 44 ILE HG2 H 0.92 0.02 1 464 48 44 ILE HD1 H 0.72 0.02 1 465 48 44 ILE C C 173.37 0.25 1 466 48 44 ILE CA C 57.40 0.25 1 467 48 44 ILE CB C 40.92 0.25 1 468 48 44 ILE CG1 C 27.07 0.25 1 469 48 44 ILE CG2 C 17.66 0.25 1 470 48 44 ILE CD1 C 13.52 0.25 1 471 48 44 ILE N N 125.70 0.15 1 472 49 45 PRO HA H 4.45 0.02 1 473 49 45 PRO HB2 H 1.91 0.02 2 474 49 45 PRO HB3 H 2.47 0.02 2 475 49 45 PRO HG2 H 2.08 0.02 2 476 49 45 PRO HG3 H 1.89 0.02 2 477 49 45 PRO HD2 H 3.83 0.02 2 478 49 45 PRO HD3 H 3.57 0.02 2 479 49 45 PRO C C 177.59 0.25 1 480 49 45 PRO CA C 63.86 0.25 1 481 49 45 PRO CB C 32.54 0.25 1 482 49 45 PRO CG C 27.91 0.25 1 483 49 45 PRO CD C 51.17 0.25 1 484 50 46 ALA H H 8.24 0.02 1 485 50 46 ALA HA H 3.97 0.02 1 486 50 46 ALA HB H 1.18 0.02 1 487 50 46 ALA C C 178.89 0.25 1 488 50 46 ALA CA C 54.79 0.25 1 489 50 46 ALA CB C 17.96 0.25 1 490 50 46 ALA N N 125.83 0.15 1 491 51 47 GLU H H 8.57 0.02 1 492 51 47 GLU HA H 3.69 0.02 1 493 51 47 GLU HB2 H 2.02 0.02 2 494 51 47 GLU HB3 H 1.91 0.02 2 495 51 47 GLU HG2 H 2.16 0.02 2 496 51 47 GLU HG3 H 2.21 0.02 2 497 51 47 GLU C C 177.81 0.25 1 498 51 47 GLU CA C 59.07 0.25 1 499 51 47 GLU CB C 29.00 0.25 1 500 51 47 GLU CG C 35.42 0.25 1 501 51 47 GLU N N 115.10 0.15 1 502 52 48 GLN H H 7.45 0.02 1 503 52 48 GLN HA H 3.88 0.02 1 504 52 48 GLN HB2 H 1.69 0.02 2 505 52 48 GLN HB3 H 1.56 0.02 2 506 52 48 GLN HG2 H 1.93 0.02 2 507 52 48 GLN HG3 H 1.90 0.02 2 508 52 48 GLN HE21 H 7.31 0.02 1 509 52 48 GLN HE22 H 6.72 0.02 1 510 52 48 GLN C C 175.86 0.25 1 511 52 48 GLN CA C 57.54 0.25 1 512 52 48 GLN CB C 27.89 0.25 1 513 52 48 GLN CG C 33.45 0.25 1 514 52 48 GLN N N 115.73 0.15 1 515 52 48 GLN NE2 N 111.08 0.15 1 516 53 49 PHE H H 7.85 0.02 1 517 53 49 PHE HA H 4.68 0.02 1 518 53 49 PHE HB2 H 3.39 0.02 2 519 53 49 PHE HB3 H 2.56 0.02 2 520 53 49 PHE HD1 H 7.13 0.02 3 521 53 49 PHE HD2 H 7.13 0.02 3 522 53 49 PHE HE1 H 7.03 0.02 3 523 53 49 PHE HE2 H 7.03 0.02 3 524 53 49 PHE HZ H 6.85 0.02 1 525 53 49 PHE C C 174.66 0.25 1 526 53 49 PHE CA C 56.77 0.25 1 527 53 49 PHE CB C 40.27 0.25 1 528 53 49 PHE CD1 C 132.32 0.25 3 529 53 49 PHE CD2 C 132.32 0.25 3 530 53 49 PHE CE1 C 131.33 0.25 3 531 53 49 PHE CE2 C 131.33 0.25 3 532 53 49 PHE CZ C 128.58 0.25 1 533 53 49 PHE N N 115.73 0.15 1 534 54 50 LYS H H 7.01 0.02 1 535 54 50 LYS HA H 4.69 0.02 1 536 54 50 LYS HB2 H 1.67 0.02 2 537 54 50 LYS HB3 H 1.51 0.02 2 538 54 50 LYS HG2 H 0.87 0.02 2 539 54 50 LYS HG3 H 1.48 0.02 2 540 54 50 LYS HD2 H 1.45 0.02 2 541 54 50 LYS HD3 H 1.45 0.02 2 542 54 50 LYS HE2 H 2.72 0.02 2 543 54 50 LYS HE3 H 2.50 0.02 2 544 54 50 LYS C C 176.78 0.25 1 545 54 50 LYS CA C 56.03 0.25 1 546 54 50 LYS CB C 34.87 0.25 1 547 54 50 LYS CG C 26.59 0.25 1 548 54 50 LYS CD C 29.61 0.25 1 549 54 50 LYS CE C 41.92 0.25 1 550 54 50 LYS N N 119.70 0.15 1 551 55 51 ASN H H 8.54 0.02 1 552 55 51 ASN HA H 4.66 0.02 1 553 55 51 ASN HB2 H 3.43 0.02 2 554 55 51 ASN HB3 H 2.93 0.02 2 555 55 51 ASN HD21 H 7.34 0.02 1 556 55 51 ASN HD22 H 7.88 0.02 1 557 55 51 ASN C C 177.61 0.25 1 558 55 51 ASN CA C 50.74 0.25 1 559 55 51 ASN CB C 38.61 0.25 1 560 55 51 ASN N N 120.16 0.15 1 561 55 51 ASN ND2 N 112.81 0.15 1 562 56 52 ALA H H 8.43 0.02 1 563 56 52 ALA HA H 4.04 0.02 1 564 56 52 ALA HB H 1.34 0.02 1 565 56 52 ALA C C 178.55 0.25 1 566 56 52 ALA CA C 54.55 0.25 1 567 56 52 ALA CB C 18.03 0.25 1 568 56 52 ALA N N 120.71 0.15 1 569 57 53 GLN H H 7.59 0.02 1 570 57 53 GLN HA H 4.31 0.02 1 571 57 53 GLN HB2 H 2.20 0.02 2 572 57 53 GLN HB3 H 1.95 0.02 2 573 57 53 GLN HG2 H 2.21 0.02 2 574 57 53 GLN HG3 H 2.33 0.02 2 575 57 53 GLN HE21 H 6.73 0.02 1 576 57 53 GLN HE22 H 7.43 0.02 1 577 57 53 GLN C C 176.09 0.25 1 578 57 53 GLN CA C 55.81 0.25 1 579 57 53 GLN CB C 28.66 0.25 1 580 57 53 GLN CG C 34.83 0.25 1 581 57 53 GLN N N 114.93 0.15 1 582 57 53 GLN NE2 N 112.00 0.15 1 583 58 54 GLY H H 8.16 0.02 1 584 58 54 GLY HA2 H 4.12 0.02 2 585 58 54 GLY HA3 H 3.57 0.02 2 586 58 54 GLY C C 173.64 0.25 1 587 58 54 GLY CA C 45.40 0.25 1 588 58 54 GLY N N 107.91 0.15 1 589 59 55 GLU H H 7.72 0.02 1 590 59 55 GLU HA H 4.34 0.02 1 591 59 55 GLU HB2 H 1.86 0.02 2 592 59 55 GLU HB3 H 1.82 0.02 2 593 59 55 GLU HG2 H 2.08 0.02 2 594 59 55 GLU HG3 H 2.02 0.02 2 595 59 55 GLU C C 175.79 0.25 1 596 59 55 GLU CA C 54.33 0.25 1 597 59 55 GLU CB C 30.79 0.25 1 598 59 55 GLU CG C 35.78 0.25 1 599 59 55 GLU N N 119.72 0.15 1 600 60 56 LEU H H 8.71 0.02 1 601 60 56 LEU HA H 4.30 0.02 1 602 60 56 LEU HB2 H 1.51 0.02 2 603 60 56 LEU HB3 H 1.56 0.02 2 604 60 56 LEU HG H 1.51 0.02 1 605 60 56 LEU HD1 H 0.79 0.02 2 606 60 56 LEU HD2 H 0.74 0.02 2 607 60 56 LEU C C 177.67 0.25 1 608 60 56 LEU CA C 55.00 0.25 1 609 60 56 LEU CB C 43.00 0.25 1 610 60 56 LEU CG C 27.76 0.25 1 611 60 56 LEU CD1 C 25.48 0.25 2 612 60 56 LEU CD2 C 25.48 0.25 2 613 60 56 LEU N N 123.03 0.15 1 614 61 57 GLU H H 8.80 0.02 1 615 61 57 GLU HA H 4.38 0.02 1 616 61 57 GLU HB2 H 2.11 0.02 2 617 61 57 GLU HB3 H 1.87 0.02 2 618 61 57 GLU HG2 H 2.07 0.02 2 619 61 57 GLU HG3 H 2.20 0.02 2 620 61 57 GLU C C 175.39 0.25 1 621 61 57 GLU CA C 55.86 0.25 1 622 61 57 GLU CB C 30.20 0.25 1 623 61 57 GLU CG C 36.67 0.25 1 624 61 57 GLU N N 123.57 0.15 1 625 62 58 ILE H H 6.79 0.02 1 626 62 58 ILE HA H 4.43 0.02 1 627 62 58 ILE HB H 1.51 0.02 1 628 62 58 ILE HG12 H 1.21 0.02 2 629 62 58 ILE HG13 H 0.67 0.02 2 630 62 58 ILE HG2 H 0.63 0.02 1 631 62 58 ILE HD1 H 0.30 0.02 1 632 62 58 ILE C C 172.59 0.25 1 633 62 58 ILE CA C 58.98 0.25 1 634 62 58 ILE CB C 41.87 0.25 1 635 62 58 ILE CG1 C 27.23 0.25 1 636 62 58 ILE CG2 C 18.61 0.25 1 637 62 58 ILE CD1 C 14.89 0.25 1 638 62 58 ILE N N 113.67 0.15 1 639 63 59 GLN H H 8.38 0.02 1 640 63 59 GLN HA H 4.38 0.02 1 641 63 59 GLN HB2 H 1.72 0.02 2 642 63 59 GLN HB3 H 1.88 0.02 2 643 63 59 GLN HG2 H 2.14 0.02 2 644 63 59 GLN HG3 H 2.18 0.02 2 645 63 59 GLN HE21 H 7.58 0.02 1 646 63 59 GLN HE22 H 6.64 0.02 1 647 63 59 GLN C C 175.07 0.25 1 648 63 59 GLN CA C 53.23 0.25 1 649 63 59 GLN CB C 32.65 0.25 1 650 63 59 GLN CG C 33.38 0.25 1 651 63 59 GLN N N 119.49 0.15 1 652 63 59 GLN NE2 N 112.78 0.15 1 653 64 60 VAL H H 8.37 0.02 1 654 64 60 VAL HA H 3.09 0.02 1 655 64 60 VAL HB H 1.75 0.02 1 656 64 60 VAL HG1 H 0.77 0.02 2 657 64 60 VAL HG2 H 0.79 0.02 2 658 64 60 VAL C C 177.13 0.25 1 659 64 60 VAL CA C 65.61 0.25 1 660 64 60 VAL CB C 31.12 0.25 1 661 64 60 VAL CG1 C 21.36 0.25 2 662 64 60 VAL CG2 C 22.57 0.25 2 663 64 60 VAL N N 120.77 0.15 1 664 65 61 GLY H H 8.87 0.02 1 665 65 61 GLY HA2 H 3.37 0.02 2 666 65 61 GLY HA3 H 4.37 0.02 2 667 65 61 GLY C C 174.15 0.25 1 668 65 61 GLY CA C 44.41 0.25 1 669 65 61 GLY N N 116.72 0.15 1 670 66 62 ASP H H 7.81 0.02 1 671 66 62 ASP HA H 4.49 0.02 1 672 66 62 ASP HB2 H 2.66 0.02 2 673 66 62 ASP HB3 H 2.47 0.02 2 674 66 62 ASP C C 175.19 0.25 1 675 66 62 ASP CA C 54.78 0.25 1 676 66 62 ASP CB C 40.93 0.25 1 677 66 62 ASP N N 121.34 0.15 1 678 67 63 GLU H H 8.32 0.02 1 679 67 63 GLU HA H 5.14 0.02 1 680 67 63 GLU HB2 H 1.83 0.02 2 681 67 63 GLU HB3 H 1.77 0.02 2 682 67 63 GLU HG2 H 1.99 0.02 2 683 67 63 GLU HG3 H 2.25 0.02 2 684 67 63 GLU C C 176.49 0.25 1 685 67 63 GLU CA C 54.95 0.25 1 686 67 63 GLU CB C 31.21 0.25 1 687 67 63 GLU CG C 37.14 0.25 1 688 67 63 GLU N N 119.48 0.15 1 689 68 64 VAL H H 8.69 0.02 1 690 68 64 VAL HA H 4.51 0.02 1 691 68 64 VAL HB H 2.00 0.02 1 692 68 64 VAL HG1 H 0.58 0.02 2 693 68 64 VAL HG2 H 0.51 0.02 2 694 68 64 VAL C C 173.62 0.25 1 695 68 64 VAL CA C 58.88 0.25 1 696 68 64 VAL CB C 35.94 0.25 1 697 68 64 VAL CG1 C 22.10 0.25 2 698 68 64 VAL CG2 C 19.19 0.25 2 699 68 64 VAL N N 116.52 0.15 1 700 69 65 ASP H H 8.28 0.02 1 701 69 65 ASP HA H 5.13 0.02 1 702 69 65 ASP HB2 H 2.25 0.02 2 703 69 65 ASP HB3 H 2.42 0.02 2 704 69 65 ASP C C 175.91 0.25 1 705 69 65 ASP CA C 53.87 0.25 1 706 69 65 ASP CB C 41.64 0.25 1 707 69 65 ASP N N 122.79 0.15 1 708 70 66 VAL H H 9.09 0.02 1 709 70 66 VAL HA H 4.28 0.02 1 710 70 66 VAL HB H 1.87 0.02 1 711 70 66 VAL HG1 H 0.71 0.02 2 712 70 66 VAL HG2 H 0.69 0.02 2 713 70 66 VAL C C 173.53 0.25 1 714 70 66 VAL CA C 60.12 0.25 1 715 70 66 VAL CB C 34.83 0.25 1 716 70 66 VAL CG1 C 21.52 0.25 2 717 70 66 VAL CG2 C 20.84 0.25 2 718 70 66 VAL N N 120.49 0.15 1 719 71 67 ALA H H 8.46 0.02 1 720 71 67 ALA HA H 4.66 0.02 1 721 71 67 ALA HB H 1.21 0.02 1 722 71 67 ALA C C 177.38 0.25 1 723 71 67 ALA CA C 50.93 0.25 1 724 71 67 ALA CB C 18.80 0.25 1 725 71 67 ALA N N 127.58 0.15 1 726 72 68 LEU H H 8.39 0.02 1 727 72 68 LEU HA H 4.23 0.02 1 728 72 68 LEU HB2 H 1.52 0.02 2 729 72 68 LEU HB3 H 1.46 0.02 2 730 72 68 LEU HD1 H 0.68 0.02 2 731 72 68 LEU HD2 H 0.75 0.02 2 732 72 68 LEU CA C 55.09 0.25 1 733 72 68 LEU CB C 42.45 0.25 1 734 72 68 LEU CG C 27.07 0.25 1 735 72 68 LEU CD1 C 23.61 0.25 2 736 72 68 LEU CD2 C 25.20 0.25 2 737 72 68 LEU N N 124.20 0.15 1 738 73 69 ASP H H 8.44 0.02 1 739 73 69 ASP HA H 4.45 0.02 1 740 73 69 ASP HB2 H 2.56 0.02 2 741 73 69 ASP HB3 H 2.46 0.02 2 742 73 69 ASP C C 175.91 0.25 1 743 73 69 ASP CA C 54.48 0.25 1 744 73 69 ASP N N 119.98 0.15 1 745 74 70 ALA H H 7.92 0.02 1 746 74 70 ALA HA H 4.24 0.02 1 747 74 70 ALA HB H 1.27 0.02 1 748 74 70 ALA C C 177.69 0.25 1 749 74 70 ALA CA C 52.36 0.25 1 750 74 70 ALA CB C 19.33 0.25 1 751 74 70 ALA N N 122.83 0.15 1 752 75 71 VAL H H 7.84 0.02 1 753 75 71 VAL HA H 3.97 0.02 1 754 75 71 VAL HB H 1.99 0.02 1 755 75 71 VAL HG1 H 0.80 0.02 2 756 75 71 VAL HG2 H 0.80 0.02 2 757 75 71 VAL C C 176.37 0.25 1 758 75 71 VAL CA C 62.26 0.25 1 759 75 71 VAL CB C 32.77 0.25 1 760 75 71 VAL CG1 C 21.03 0.25 2 761 75 71 VAL CG2 C 21.06 0.25 2 762 75 71 VAL N N 118.36 0.15 1 763 76 72 GLU H H 8.38 0.02 1 764 76 72 GLU HA H 4.15 0.02 1 765 76 72 GLU HB2 H 1.83 0.02 2 766 76 72 GLU HB3 H 1.94 0.02 2 767 76 72 GLU HG2 H 2.12 0.02 2 768 76 72 GLU HG3 H 2.17 0.02 2 769 76 72 GLU C C 176.32 0.25 1 770 76 72 GLU CA C 56.60 0.25 1 771 76 72 GLU CB C 30.15 0.25 1 772 76 72 GLU N N 123.79 0.15 1 773 77 73 ASP H H 8.27 0.02 1 774 77 73 ASP HA H 4.45 0.02 1 775 77 73 ASP HB2 H 2.60 0.02 2 776 77 73 ASP HB3 H 2.57 0.02 2 777 77 73 ASP C C 176.74 0.25 1 778 77 73 ASP CA C 54.53 0.25 1 779 77 73 ASP CB C 41.23 0.25 1 780 77 73 ASP N N 121.32 0.15 1 781 78 74 GLY H H 8.18 0.02 1 782 78 74 GLY HA2 H 3.78 0.02 2 783 78 74 GLY HA3 H 3.78 0.02 2 784 78 74 GLY C C 174.35 0.25 1 785 78 74 GLY CA C 45.39 0.25 1 786 78 74 GLY N N 108.57 0.15 1 787 79 75 PHE H H 8.09 0.02 1 788 79 75 PHE HA H 4.51 0.02 1 789 79 75 PHE HB2 H 3.10 0.02 2 790 79 75 PHE HB3 H 2.97 0.02 2 791 79 75 PHE HD1 H 7.14 0.02 3 792 79 75 PHE HD2 H 7.14 0.02 3 793 79 75 PHE HE1 H 7.23 0.02 3 794 79 75 PHE HE2 H 7.23 0.02 3 795 79 75 PHE HZ H 7.17 0.02 1 796 79 75 PHE C C 176.43 0.25 1 797 79 75 PHE CA C 58.15 0.25 1 798 79 75 PHE CB C 39.30 0.25 1 799 79 75 PHE CD1 C 131.82 0.25 3 800 79 75 PHE CD2 C 131.82 0.25 3 801 79 75 PHE CE1 C 131.67 0.25 3 802 79 75 PHE CE2 C 131.67 0.25 3 803 79 75 PHE CZ C 129.65 0.25 1 804 79 75 PHE N N 119.99 0.15 1 805 80 76 GLY H H 8.32 0.02 1 806 80 76 GLY HA2 H 3.76 0.02 2 807 80 76 GLY HA3 H 3.84 0.02 2 808 80 76 GLY C C 174.20 0.25 1 809 80 76 GLY CA C 45.39 0.25 1 810 80 76 GLY N N 110.05 0.15 1 811 81 77 GLU H H 8.18 0.02 1 812 81 77 GLU HA H 4.24 0.02 1 813 81 77 GLU HB2 H 1.88 0.02 2 814 81 77 GLU HB3 H 1.96 0.02 2 815 81 77 GLU HG2 H 2.16 0.02 1 816 81 77 GLU HG3 H 2.16 0.02 1 817 81 77 GLU C C 176.94 0.25 1 818 81 77 GLU CA C 56.71 0.25 1 819 81 77 GLU CB C 30.20 0.25 1 820 81 77 GLU CG C 36.15 0.25 1 821 81 77 GLU N N 120.58 0.15 1 822 82 78 THR H H 8.18 0.02 1 823 82 78 THR HA H 4.23 0.02 1 824 82 78 THR HB H 4.13 0.02 1 825 82 78 THR HG2 H 1.10 0.02 1 826 82 78 THR C C 174.81 0.25 1 827 82 78 THR CA C 62.23 0.25 1 828 82 78 THR CB C 69.83 0.25 1 829 82 78 THR N N 114.96 0.15 1 830 83 79 LEU H H 8.17 0.02 1 831 83 79 LEU HA H 4.20 0.02 1 832 83 79 LEU HB2 H 1.47 0.02 2 833 83 79 LEU HB3 H 1.54 0.02 2 834 83 79 LEU HG H 1.50 0.02 1 835 83 79 LEU HD1 H 0.79 0.02 2 836 83 79 LEU HD2 H 0.73 0.02 2 837 83 79 LEU C C 177.64 0.25 1 838 83 79 LEU CA C 55.94 0.25 1 839 83 79 LEU CB C 42.06 0.25 1 840 83 79 LEU CG C 26.74 0.25 1 841 83 79 LEU CD1 C 24.83 0.25 2 842 83 79 LEU CD2 C 23.50 0.25 2 843 83 79 LEU N N 123.94 0.15 1 844 84 80 LEU H H 8.09 0.02 1 845 84 80 LEU HA H 4.23 0.02 1 846 84 80 LEU HB2 H 1.44 0.02 2 847 84 80 LEU HB3 H 1.56 0.02 2 848 84 80 LEU CA C 55.80 0.25 1 849 84 80 LEU N N 121.10 0.15 1 850 85 81 SER H H 8.26 0.02 1 851 85 81 SER HA H 4.31 0.02 1 852 85 81 SER HB2 H 3.83 0.02 2 853 85 81 SER HB3 H 3.74 0.02 2 854 85 81 SER CA C 58.74 0.25 1 855 85 81 SER CB C 63.63 0.25 1 856 85 81 SER N N 116.98 0.15 1 857 87 83 GLU H H 8.12 0.02 1 858 87 83 GLU HA H 4.17 0.02 1 859 87 83 GLU HB2 H 1.92 0.02 2 860 87 83 GLU HB3 H 1.82 0.02 2 861 87 83 GLU HG2 H 2.11 0.02 2 862 87 83 GLU HG3 H 2.14 0.02 2 863 87 83 GLU N N 120.31 0.15 1 864 88 84 LYS H H 8.08 0.02 1 865 88 84 LYS HA H 4.04 0.02 1 866 88 84 LYS HB2 H 1.69 0.02 1 867 88 84 LYS HB3 H 1.69 0.02 1 868 88 84 LYS C C 175.64 0.25 1 869 88 84 LYS N N 120.78 0.15 1 870 89 85 ALA H H 8.31 0.02 1 871 89 85 ALA HA H 4.15 0.02 1 872 89 85 ALA HB H 1.29 0.02 1 873 89 85 ALA C C 178.15 0.25 1 874 89 85 ALA CA C 52.86 0.25 1 875 89 85 ALA CB C 18.95 0.25 1 876 89 85 ALA N N 124.25 0.15 1 877 90 86 LYS H H 7.94 0.02 1 878 90 86 LYS HA H 4.11 0.02 1 879 90 86 LYS HB2 H 1.69 0.02 2 880 90 86 LYS HB3 H 1.66 0.02 2 881 90 86 LYS HG2 H 1.35 0.02 2 882 90 86 LYS HG3 H 1.29 0.02 2 883 90 86 LYS HD2 H 1.56 0.02 1 884 90 86 LYS HD3 H 1.56 0.02 1 885 90 86 LYS HE2 H 2.83 0.02 1 886 90 86 LYS HE3 H 2.83 0.02 1 887 90 86 LYS C C 176.89 0.25 1 888 90 86 LYS CA C 56.63 0.25 1 889 90 86 LYS CB C 32.69 0.25 1 890 90 86 LYS CG C 24.73 0.25 1 891 90 86 LYS CD C 28.87 0.25 1 892 90 86 LYS CE C 41.79 0.25 1 893 90 86 LYS N N 119.43 0.15 1 894 91 87 ARG H H 8.05 0.02 1 895 91 87 ARG HA H 4.13 0.02 1 896 91 87 ARG HB2 H 1.68 0.02 2 897 91 87 ARG HB3 H 1.65 0.02 2 898 91 87 ARG HG2 H 1.43 0.02 2 899 91 87 ARG HG3 H 1.48 0.02 2 900 91 87 ARG HD2 H 3.01 0.02 2 901 91 87 ARG HD3 H 3.01 0.02 2 902 91 87 ARG CA C 56.51 0.25 1 903 91 87 ARG CB C 30.45 0.25 1 904 91 87 ARG CG C 27.22 0.25 1 905 91 87 ARG CD C 43.19 0.25 1 906 91 87 ARG N N 121.08 0.15 1 907 92 88 HIS HA H 4.39 0.02 1 908 92 88 HIS HB2 H 2.93 0.02 2 909 92 88 HIS HB3 H 2.99 0.02 2 910 92 88 HIS HD2 H 6.89 0.02 1 911 92 88 HIS HE1 H 7.76 0.02 1 912 92 88 HIS CA C 56.66 0.25 1 913 92 88 HIS CB C 30.48 0.25 1 914 92 88 HIS CD2 C 120.05 0.25 1 915 92 88 HIS CE1 C 138.04 0.25 1 916 93 89 GLU H H 8.22 0.02 1 917 93 89 GLU HA H 4.03 0.02 1 918 93 89 GLU HB2 H 1.84 0.02 2 919 93 89 GLU HB3 H 1.71 0.02 2 920 93 89 GLU HG2 H 2.10 0.02 1 921 93 89 GLU HG3 H 2.10 0.02 1 922 93 89 GLU C C 176.20 0.25 1 923 93 89 GLU CA C 56.51 0.25 1 924 93 89 GLU CB C 30.10 0.25 1 925 93 89 GLU CG C 36.27 0.25 1 926 93 89 GLU N N 121.62 0.15 1 927 94 90 ALA H H 8.17 0.02 1 928 94 90 ALA HA H 4.13 0.02 1 929 94 90 ALA HB H 1.23 0.02 1 930 94 90 ALA C C 177.38 0.25 1 931 94 90 ALA CA C 52.68 0.25 1 932 94 90 ALA CB C 18.90 0.25 1 933 94 90 ALA N N 123.79 0.15 1 934 95 91 TRP H H 7.86 0.02 1 935 95 91 TRP HA H 4.55 0.02 1 936 95 91 TRP HB2 H 3.16 0.02 2 937 95 91 TRP HB3 H 3.18 0.02 2 938 95 91 TRP HD1 H 7.09 0.02 1 939 95 91 TRP HE1 H 10.04 0.02 1 940 95 91 TRP HE3 H 7.48 0.02 1 941 95 91 TRP HZ2 H 7.34 0.02 1 942 95 91 TRP HZ3 H 7.01 0.02 1 943 95 91 TRP HH2 H 7.09 0.02 1 944 95 91 TRP C C 176.03 0.25 1 945 95 91 TRP CA C 57.14 0.25 1 946 95 91 TRP CB C 29.20 0.25 1 947 95 91 TRP CD1 C 127.07 0.25 1 948 95 91 TRP CE3 C 120.78 0.25 1 949 95 91 TRP CZ2 C 114.62 0.25 1 950 95 91 TRP CZ3 C 122.10 0.25 1 951 95 91 TRP CH2 C 124.56 0.25 1 952 95 91 TRP N N 119.34 0.15 1 953 95 91 TRP NE1 N 129.37 0.15 1 954 96 92 ILE H H 7.71 0.02 1 955 96 92 ILE HA H 3.98 0.02 1 956 96 92 ILE HB H 1.63 0.02 1 957 96 92 ILE HG12 H 0.93 0.02 2 958 96 92 ILE HG13 H 1.20 0.02 2 959 96 92 ILE HG2 H 0.70 0.02 1 960 96 92 ILE HD1 H 0.68 0.02 1 961 96 92 ILE C C 175.91 0.25 1 962 96 92 ILE CA C 61.10 0.25 1 963 96 92 ILE CB C 38.73 0.25 1 964 96 92 ILE CG1 C 27.20 0.25 1 965 96 92 ILE CG2 C 17.24 0.25 1 966 96 92 ILE CD1 C 12.85 0.25 1 967 96 92 ILE N N 121.80 0.15 1 968 97 93 THR H H 8.01 0.02 1 969 97 93 THR HA H 4.19 0.02 1 970 97 93 THR HB H 4.04 0.02 1 971 97 93 THR HG2 H 1.08 0.02 1 972 97 93 THR C C 174.03 0.25 1 973 97 93 THR CA C 61.67 0.25 1 974 97 93 THR CB C 69.62 0.25 1 975 97 93 THR CG2 C 21.51 0.25 1 976 97 93 THR N N 118.29 0.15 1 977 98 94 LEU H H 8.12 0.02 1 978 98 94 LEU HA H 4.24 0.02 1 979 98 94 LEU HB2 H 1.53 0.02 2 980 98 94 LEU HB3 H 1.48 0.02 2 981 98 94 LEU HG H 1.50 0.02 1 982 98 94 LEU HD1 H 0.74 0.02 2 983 98 94 LEU HD2 H 0.79 0.02 2 984 98 94 LEU C C 176.99 0.25 1 985 98 94 LEU CA C 55.04 0.25 1 986 98 94 LEU CB C 42.27 0.25 1 987 98 94 LEU CG C 26.91 0.25 1 988 98 94 LEU CD1 C 23.46 0.25 2 989 98 94 LEU CD2 C 24.83 0.25 2 990 98 94 LEU N N 125.09 0.15 1 991 99 95 GLU H H 8.24 0.02 1 992 99 95 GLU HA H 4.15 0.02 1 993 99 95 GLU HB2 H 1.82 0.02 2 994 99 95 GLU HB3 H 1.94 0.02 2 995 99 95 GLU HG2 H 2.16 0.02 2 996 99 95 GLU HG3 H 2.12 0.02 2 997 99 95 GLU C C 175.28 0.25 1 998 99 95 GLU CA C 56.48 0.25 1 999 99 95 GLU CB C 29.90 0.25 1 1000 99 95 GLU CG C 36.25 0.25 1 1001 99 95 GLU N N 122.40 0.15 1 1002 100 96 LYS H H 7.84 0.02 1 1003 100 96 LYS HA H 4.03 0.02 1 1004 100 96 LYS HB2 H 1.59 0.02 2 1005 100 96 LYS HB3 H 1.70 0.02 2 1006 100 96 LYS HG2 H 1.27 0.02 2 1007 100 96 LYS HG3 H 1.27 0.02 2 1008 100 96 LYS HD2 H 1.54 0.02 2 1009 100 96 LYS HD3 H 1.55 0.02 2 1010 100 96 LYS HE2 H 2.85 0.02 2 1011 100 96 LYS HE3 H 2.85 0.02 2 1012 100 96 LYS CA C 57.48 0.25 1 1013 100 96 LYS CB C 33.56 0.25 1 1014 100 96 LYS CG C 24.64 0.25 1 1015 100 96 LYS CD C 28.97 0.25 1 1016 100 96 LYS CE C 41.87 0.25 1 1017 100 96 LYS N N 127.44 0.15 1 stop_ save_