data_19876 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; 3D structure of YmoB. A modulator of biofilm formation. ; _BMRB_accession_number 19876 _BMRB_flat_file_name bmr19876.str _Entry_type original _Submission_date 2014-03-26 _Accession_date 2014-03-26 _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 Marimon Oriol . . 2 Cordeiro Tiago N. . 3 Amata Irene . . 4 Pons Miquel . . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 734 "13C chemical shifts" 505 "15N chemical shifts" 123 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2015-03-30 original author . stop_ _Original_release_date 2015-03-30 save_ ############################# # Citation for this entry # ############################# save_citacion_1 _Saveframe_category entry_citation _Citation_full . _Citation_title 'TomB/YmoB proteins: structure and function in biofilm regulation.' _Citation_status 'in preparation' _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID ? loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Marimon Oriol . . 2 Cordeiro Tiago N. . 3 Amata Irene . . 4 Mayzel Maxim . . 5 Orekhov Vladislav Y. . 6 Wood Thomas K. . 7 Pons Miquel . . stop_ _Journal_abbreviation 'Not known' _Journal_volume . _Journal_issue . _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first . _Page_last . _Year . _Details . save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name 'YmoB. A modulator of biofilm formation' _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label YmoB-C117S $entity 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_entity _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common entity _Molecular_mass 14191.914 _Mol_thiol_state 'all free' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 133 _Mol_residue_sequence ; MSHHHHHHSMGMDEYSPKRH DVAQLKFLCESLYDEGIATL GDSHHGWVNDPTSAVNLQLN DLIEHIASFVMSFKIKYPDD GDLSELVEEYLDDTYTLFSS YGINDPELQRWQKTKERLFR LFSGEYISTLMKT ; loop_ _Residue_seq_code _Residue_author_seq_code _Residue_label 1 -10 MET 2 -9 SER 3 -8 HIS 4 -7 HIS 5 -6 HIS 6 -5 HIS 7 -4 HIS 8 -3 HIS 9 -2 SER 10 -1 MET 11 0 GLY 12 1 MET 13 2 ASP 14 3 GLU 15 4 TYR 16 5 SER 17 6 PRO 18 7 LYS 19 8 ARG 20 9 HIS 21 10 ASP 22 11 VAL 23 12 ALA 24 13 GLN 25 14 LEU 26 15 LYS 27 16 PHE 28 17 LEU 29 18 CYS 30 19 GLU 31 20 SER 32 21 LEU 33 22 TYR 34 23 ASP 35 24 GLU 36 25 GLY 37 26 ILE 38 27 ALA 39 28 THR 40 29 LEU 41 30 GLY 42 31 ASP 43 32 SER 44 33 HIS 45 34 HIS 46 35 GLY 47 36 TRP 48 37 VAL 49 38 ASN 50 39 ASP 51 40 PRO 52 41 THR 53 42 SER 54 43 ALA 55 44 VAL 56 45 ASN 57 46 LEU 58 47 GLN 59 48 LEU 60 49 ASN 61 50 ASP 62 51 LEU 63 52 ILE 64 53 GLU 65 54 HIS 66 55 ILE 67 56 ALA 68 57 SER 69 58 PHE 70 59 VAL 71 60 MET 72 61 SER 73 62 PHE 74 63 LYS 75 64 ILE 76 65 LYS 77 66 TYR 78 67 PRO 79 68 ASP 80 69 ASP 81 70 GLY 82 71 ASP 83 72 LEU 84 73 SER 85 74 GLU 86 75 LEU 87 76 VAL 88 77 GLU 89 78 GLU 90 79 TYR 91 80 LEU 92 81 ASP 93 82 ASP 94 83 THR 95 84 TYR 96 85 THR 97 86 LEU 98 87 PHE 99 88 SER 100 89 SER 101 90 TYR 102 91 GLY 103 92 ILE 104 93 ASN 105 94 ASP 106 95 PRO 107 96 GLU 108 97 LEU 109 98 GLN 110 99 ARG 111 100 TRP 112 101 GLN 113 102 LYS 114 103 THR 115 104 LYS 116 105 GLU 117 106 ARG 118 107 LEU 119 108 PHE 120 109 ARG 121 110 LEU 122 111 PHE 123 112 SER 124 113 GLY 125 114 GLU 126 115 TYR 127 116 ILE 128 117 SER 129 118 THR 130 119 LEU 131 120 MET 132 121 LYS 133 122 THR 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 PDB 2MN2 "3d Structure Of Ymob, A Modulator Of Biofilm Formation" 100.00 133 100.00 100.00 4.88e-93 EMBL CAL13149 "conserved hypothetical protein [Yersinia enterocolitica subsp. enterocolitica 8081]" 91.73 122 98.36 98.36 1.92e-82 EMBL CBX70720 "uncharacterized protein ybaJ [Yersinia enterocolitica W22703]" 91.73 122 99.18 99.18 2.31e-83 EMBL CBY26149 "putative cytoplasmic protein [Yersinia enterocolitica subsp. palearctica Y11]" 91.73 122 99.18 99.18 2.31e-83 EMBL CCO69635 "FIG00948312: hypothetical protein [Yersinia enterocolitica IP 10393]" 91.73 122 99.18 99.18 2.31e-83 EMBL CCQ41626 "conserved hypothetical protein [Yersinia enterocolitica (type O:5) str. YE53/03]" 91.73 122 98.36 98.36 1.92e-82 GB AAQ90016 "YmoB [Yersinia enterocolitica]" 91.73 122 98.36 98.36 1.92e-82 GB ADZ41643 "hypothetical protein YE105_C1147 [Yersinia enterocolitica subsp. palearctica 105.5R(r)]" 91.73 122 99.18 99.18 2.31e-83 GB AHM72673 "Toxin overexpression modulator in biofilms [Yersinia enterocolitica LC20]" 91.73 122 97.54 99.18 2.05e-82 GB AJI85062 "biofilm formation regulator YbaJ family protein [Yersinia enterocolitica]" 91.73 122 98.36 98.36 1.92e-82 GB AJJ21754 "biofilm formation regulator YbaJ family protein [Yersinia enterocolitica]" 91.73 122 98.36 98.36 1.92e-82 REF WP_005163463 "hypothetical protein [Yersinia enterocolitica]" 91.73 122 99.18 99.18 2.31e-83 REF WP_005167670 "hypothetical protein [Yersinia enterocolitica]" 91.73 122 98.36 98.36 1.92e-82 REF WP_050077354 "Biofilm formation regulator YbaJ [Yersinia intermedia]" 91.73 122 97.54 97.54 1.69e-81 REF YP_001007296 "hypothetical protein YE3114 [Yersinia enterocolitica subsp. enterocolitica 8081]" 91.73 122 98.36 98.36 1.92e-82 stop_ save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species _Strain _Gene_mnemonic $entity enterobacteria 630 Bacteria . Yersinia enterocolitica W22711 ymoB stop_ save_ ######################### # Experimental source # ######################### save_experimental_source _Saveframe_category experimental_source loop_ _Mol_label _Production_method _Host_organism_name_common _Genus _Species _Strain _Vector_name $entity 'recombinant technology' . Escherichia coli BL21(DE3) pHAT2 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $entity 1 mM 'natural abundance' 'sodium phosphate' 20 mM 'natural abundance' 'sodium chloride' 150 mM 'natural abundance' TCEP 1 mM 'natural abundance' EDTA 0.2 mM 'natural abundance' 'sodium azide' 0.1 % 'natural abundance' H2O 90 % 'natural abundance' D2O 10 % 'natural abundance' stop_ save_ save_sample_2 _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $entity 1 mM '[U-100% 15N]' 'sodium phosphate' 20 mM 'natural abundance' 'sodium chloride' 150 mM 'natural abundance' TCEP 1 mM 'natural abundance' EDTA 0.2 mM 'natural abundance' 'sodium azide' 0.1 % 'natural abundance' H2O 90 % 'natural abundance' D2O 10 % 'natural abundance' stop_ save_ save_sample_3 _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $entity 1 mM '[U-100% 13C; U-100% 15N]' 'sodium phosphate' 20 mM 'natural abundance' 'sodium chloride' 150 mM 'natural abundance' TCEP 1 mM 'natural abundance' EDTA 0.2 mM 'natural abundance' 'sodium azide' 0.1 % 'natural abundance' H2O 90 % 'natural abundance' D2O 10 % 'natural abundance' stop_ save_ save_sample_4 _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $entity 1 mM '[U-100% 13C; U-100% 15N]' 'sodium phosphate' 20 mM 'natural abundance' 'sodium chloride' 150 mM 'natural abundance' TCEP 1 mM 'natural abundance' EDTA 0.2 mM 'natural abundance' 'sodium azide' 0.1 % 'natural abundance' H2O 90 % 'natural abundance' D2O 10 % 'natural abundance' stop_ save_ save_sample_5 _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $entity 1 mM '[U-10% 13C; U-100% 15N]' 'sodium phosphate' 20 mM 'natural abundance' 'sodium chloride' 150 mM 'natural abundance' TCEP 1 mM 'natural abundance' EDTA 0.2 mM 'natural abundance' 'sodium azide' 0.1 % 'natural abundance' H2O 90 % 'natural abundance' D2O 10 % 'natural abundance' stop_ save_ ############################ # Computer software used # ############################ save_TOPSPIN _Saveframe_category software _Name TOPSPIN _Version '2.0 and 3.0' loop_ _Vendor _Address _Electronic_address 'Bruker Biospin' . . stop_ loop_ _Task collection stop_ _Details . save_ save_VNMRJ _Saveframe_category software _Name VNMRJ _Version 3.2 loop_ _Vendor _Address _Electronic_address Varian . . stop_ loop_ _Task collection stop_ _Details . save_ save_NMRPipe _Saveframe_category software _Name NMRPipe _Version . loop_ _Vendor _Address _Electronic_address 'Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax' . . stop_ loop_ _Task processing stop_ _Details . save_ save_MddNMR _Saveframe_category software _Name MddNMR _Version . loop_ _Vendor _Address _Electronic_address 'V. Orekhov, V. Jaravine, M. Mayzel, K. Kazimierczuk, Swedish NMR Center, University of Gothenburg' . . stop_ loop_ _Task processing stop_ _Details . save_ save_NMRDraw _Saveframe_category software _Name NMRDraw _Version . loop_ _Vendor _Address _Electronic_address 'Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax' . . stop_ loop_ _Task 'data analysis' stop_ _Details . save_ save_NMRView _Saveframe_category software _Name NMRView _Version . loop_ _Vendor _Address _Electronic_address 'Johnson, One Moon Scientific' . . stop_ loop_ _Task 'data analysis' stop_ _Details . save_ save_CARA _Saveframe_category software _Name CARA _Version '1.9.0 Beta 3' loop_ _Vendor _Address _Electronic_address '(c) 2000-2010 by Rochus Keller and others' . . stop_ loop_ _Task 'chemical shift assignment' 'peak picking' stop_ _Details . save_ save_Unio'10 _Saveframe_category software _Name Unio'10 _Version 'Version 2.0.2' loop_ _Vendor _Address _Electronic_address '2002-2011 Torsten Herrmann' . . stop_ loop_ _Task 'chemical shift assignment' stop_ _Details 'ATNOS/CANDID protocol for automated sequence-specific NMR signal identification and NOE resonance assignment was used.' save_ save_TALOS _Saveframe_category software _Name TALOS _Version + loop_ _Vendor _Address _Electronic_address 'Cornilescu, Delaglio and Bax' . . stop_ loop_ _Task 'data analysis' stop_ _Details . save_ save_CYANA _Saveframe_category software _Name CYANA _Version 2.1 loop_ _Vendor _Address _Electronic_address 'Guntert, Mumenthaler and Wuthrich' . . stop_ loop_ _Task 'structure solution' stop_ _Details . save_ save_CNS _Saveframe_category software _Name CNS _Version 1.2.1 loop_ _Vendor _Address _Electronic_address 'Brunger, Adams, Clore, Gros, Nilges and Read' . . stop_ loop_ _Task refinement stop_ _Details . save_ save_ProcheckNMR _Saveframe_category software _Name ProcheckNMR _Version . loop_ _Vendor _Address _Electronic_address 'Laskowski and MacArthur' . . stop_ loop_ _Task 'data analysis' stop_ _Details . save_ save_Molmol _Saveframe_category software _Name Molmol _Version . loop_ _Vendor _Address _Electronic_address 'Koradi, Billeter and Wuthrich' . . stop_ loop_ _Task 'data analysis' stop_ _Details . save_ save_PyMol _Saveframe_category software _Name PyMol _Version . loop_ _Vendor _Address _Electronic_address 'Schr dinger, LLC.' . . stop_ loop_ _Task 'data analysis' stop_ _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model DRX _Field_strength 800 _Details . save_ save_spectrometer_2 _Saveframe_category NMR_spectrometer _Manufacturer Varian _Model INOVA _Field_strength 900 _Details . save_ save_spectrometer_3 _Saveframe_category NMR_spectrometer _Manufacturer Varian _Model INOVA _Field_strength 800 _Details . save_ ############################# # NMR applied experiments # ############################# save_2D_1H-15N_HSQC_1 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-15N HSQC' _Sample_label $sample_2 save_ save_3D_HNCO_2 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCO' _Sample_label $sample_3 save_ save_3D_HN(CO)CA_3 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HN(CO)CA' _Sample_label $sample_3 save_ save_3D_CBCA(CO)NH_4 _Saveframe_category NMR_applied_experiment _Experiment_name '3D CBCA(CO)NH' _Sample_label $sample_3 save_ save_2D_1H-13C_HSQC_5 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-13C HSQC' _Sample_label $sample_3 save_ save_2D_1H-13C_HSQC_aliphatic_Constant_Time_6 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-13C HSQC aliphatic Constant Time' _Sample_label $sample_5 save_ save_3D_HBHA(CO)NH_7 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HBHA(CO)NH' _Sample_label $sample_3 save_ save_3D_HNCACB_8 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCACB' _Sample_label $sample_3 save_ save_2D_1H-15N_HSQC_9 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-15N HSQC' _Sample_label $sample_4 save_ save_2D_1H-13C_HSQC_aliphatic_10 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-13C HSQC aliphatic' _Sample_label $sample_3 save_ save_2D_1H-13C_HSQC_aliphatic_11 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-13C HSQC aliphatic' _Sample_label $sample_4 save_ save_2D_1H-13C_HSQC_aromatic_12 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-13C HSQC aromatic' _Sample_label $sample_4 save_ save_3D_HCCH-TOCSY_13 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HCCH-TOCSY' _Sample_label $sample_4 save_ save_3D_HccH-TOCSY_14 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HccH-TOCSY' _Sample_label $sample_4 save_ save_3D_1H-15N_NOESY_15 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-15N NOESY' _Sample_label $sample_3 save_ save_3D_1H-13C_NOESY_aliphatic_16 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-13C NOESY aliphatic' _Sample_label $sample_4 save_ save_3D_1H-13C_NOESY_aromatic_17 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-13C NOESY aromatic' _Sample_label $sample_4 save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Saveframe_category sample_conditions _Details . loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units pH 7.00 . pH pressure 1 . atm temperature 298 . K stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference_1 _Saveframe_category chemical_shift_reference _Details . loop_ _Mol_common_name _Atom_type _Atom_isotope_number _Atom_group _Chem_shift_units _Chem_shift_value _Reference_method _Reference_type _External_reference_sample_geometry _External_reference_location _External_reference_axis _Indirect_shift_ratio DSS C 13 'methyl protons' ppm 0.00 na indirect . . . 0.251449530 DSS H 1 'methyl protons' ppm 0.00 internal direct . . . 1.000000000 DSS N 15 'methyl protons' ppm 0.00 na indirect . . . 0.101329118 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_assigned_chem_shift_list_1 _Saveframe_category assigned_chemical_shifts _Details . loop_ _Experiment_label '2D 1H-15N HSQC' '3D HNCO' '3D HN(CO)CA' '3D CBCA(CO)NH' '2D 1H-13C HSQC' '2D 1H-13C HSQC aliphatic Constant Time' '3D HBHA(CO)NH' '3D HNCACB' '2D 1H-13C HSQC aliphatic' '2D 1H-13C HSQC aromatic' '3D HCCH-TOCSY' '3D HccH-TOCSY' stop_ loop_ _Sample_label $sample_2 $sample_3 $sample_5 $sample_4 stop_ _Sample_conditions_label $sample_conditions_1 _Chem_shift_reference_set_label $chemical_shift_reference_1 _Mol_system_component_name YmoB-C117S _Text_data_format . _Text_data . loop_ _Atom_shift_assign_ID _Residue_author_seq_code _Residue_seq_code _Residue_label _Atom_name _Atom_type _Chem_shift_value _Chem_shift_value_error _Chem_shift_ambiguity_code 1 1 12 MET H H 8.001 0.020 1 2 1 12 MET HA H 4.438 0.020 1 3 1 12 MET HB2 H 1.918 0.020 2 4 1 12 MET HB3 H 1.789 0.020 2 5 1 12 MET HG2 H 2.273 0.020 2 6 1 12 MET HG3 H 2.110 0.020 2 7 1 12 MET HE H 1.538 0.020 1 8 1 12 MET C C 174.077 0.3 1 9 1 12 MET CA C 55.316 0.3 1 10 1 12 MET CB C 33.920 0.3 1 11 1 12 MET CG C 31.615 0.3 1 12 1 12 MET CE C 16.678 0.3 1 13 1 12 MET N N 119.686 0.3 1 14 2 13 ASP H H 8.386 0.020 1 15 2 13 ASP HA H 4.444 0.020 1 16 2 13 ASP HB2 H 2.718 0.020 2 17 2 13 ASP HB3 H 2.596 0.020 2 18 2 13 ASP C C 174.891 0.3 1 19 2 13 ASP CA C 53.622 0.3 1 20 2 13 ASP CB C 41.319 0.3 1 21 2 13 ASP N N 122.949 0.3 1 22 3 14 GLU H H 8.601 0.020 1 23 3 14 GLU HA H 3.864 0.020 1 24 3 14 GLU HB2 H 1.525 0.020 1 25 3 14 GLU HB3 H 1.525 0.020 1 26 3 14 GLU HG2 H 1.748 0.020 2 27 3 14 GLU HG3 H 1.701 0.020 2 28 3 14 GLU C C 175.006 0.3 1 29 3 14 GLU CA C 58.073 0.3 1 30 3 14 GLU CB C 29.567 0.3 1 31 3 14 GLU CG C 35.912 0.3 1 32 3 14 GLU N N 119.296 0.3 1 33 4 15 TYR H H 8.049 0.020 1 34 4 15 TYR HA H 4.453 0.020 1 35 4 15 TYR HB2 H 3.020 0.020 2 36 4 15 TYR HB3 H 2.720 0.020 2 37 4 15 TYR HD1 H 6.966 0.020 1 38 4 15 TYR HD2 H 6.966 0.020 1 39 4 15 TYR HE1 H 6.539 0.020 1 40 4 15 TYR HE2 H 6.539 0.020 1 41 4 15 TYR C C 174.761 0.3 1 42 4 15 TYR CA C 57.574 0.3 1 43 4 15 TYR CB C 38.995 0.3 1 44 4 15 TYR N N 118.038 0.3 1 45 5 16 SER H H 7.759 0.020 1 46 5 16 SER HA H 4.444 0.020 1 47 5 16 SER HB2 H 3.880 0.020 2 48 5 16 SER HB3 H 3.796 0.020 2 49 5 16 SER C C 171.907 0.3 1 50 5 16 SER CA C 57.173 0.3 1 51 5 16 SER CB C 62.104 0.3 1 52 5 16 SER N N 118.519 0.3 1 53 6 17 PRO HA H 4.444 0.020 1 54 6 17 PRO HB2 H 2.315 0.020 2 55 6 17 PRO HB3 H 1.954 0.020 2 56 6 17 PRO HG2 H 1.958 0.020 2 57 6 17 PRO HG3 H 1.883 0.020 2 58 6 17 PRO HD2 H 3.680 0.020 2 59 6 17 PRO HD3 H 3.561 0.020 2 60 6 17 PRO CA C 63.597 0.3 1 61 6 17 PRO CB C 32.048 0.3 1 62 6 17 PRO CG C 27.572 0.3 1 63 7 18 LYS HD2 H 1.397 0.020 2 64 7 18 LYS HD3 H 1.294 0.020 2 65 7 18 LYS HE2 H 2.339 0.020 2 66 7 18 LYS HE3 H 2.043 0.020 2 67 7 18 LYS CD C 29.778 0.3 1 68 7 18 LYS CE C 41.376 0.3 1 69 8 19 ARG HA H 3.788 0.020 1 70 8 19 ARG HB2 H 1.783 0.020 2 71 8 19 ARG HB3 H 1.657 0.020 2 72 8 19 ARG HG2 H 1.510 0.020 2 73 8 19 ARG HG3 H 1.446 0.020 2 74 8 19 ARG HD2 H 3.042 0.020 1 75 8 19 ARG HD3 H 3.042 0.020 1 76 8 19 ARG CA C 59.500 0.3 1 77 8 19 ARG CB C 29.581 0.3 1 78 8 19 ARG CG C 27.153 0.3 1 79 8 19 ARG CD C 43.294 0.3 1 80 9 20 HIS H H 7.291 0.020 1 81 9 20 HIS HA H 4.282 0.020 1 82 9 20 HIS HB2 H 3.271 0.020 2 83 9 20 HIS HB3 H 3.103 0.020 2 84 9 20 HIS HD2 H 7.002 0.020 1 85 9 20 HIS HE1 H 7.845 0.020 1 86 9 20 HIS C C 176.264 0.3 1 87 9 20 HIS CA C 59.043 0.3 1 88 9 20 HIS CB C 30.389 0.3 1 89 9 20 HIS N N 118.064 0.3 1 90 10 21 ASP H H 8.221 0.020 1 91 10 21 ASP HA H 4.583 0.020 1 92 10 21 ASP HB2 H 2.937 0.020 1 93 10 21 ASP HB3 H 2.937 0.020 1 94 10 21 ASP C C 177.261 0.3 1 95 10 21 ASP CA C 57.872 0.3 1 96 10 21 ASP CB C 40.569 0.3 1 97 10 21 ASP N N 122.089 0.3 1 98 11 22 VAL H H 8.850 0.020 1 99 11 22 VAL HA H 3.487 0.020 1 100 11 22 VAL HB H 1.919 0.020 1 101 11 22 VAL HG1 H 0.837 0.020 1 102 11 22 VAL HG2 H 0.912 0.020 1 103 11 22 VAL C C 175.661 0.3 1 104 11 22 VAL CA C 66.879 0.3 1 105 11 22 VAL CB C 31.426 0.3 1 106 11 22 VAL CG1 C 21.765 0.3 1 107 11 22 VAL CG2 C 23.820 0.3 1 108 11 22 VAL N N 119.318 0.3 1 109 12 23 ALA H H 7.676 0.020 1 110 12 23 ALA HA H 3.769 0.020 1 111 12 23 ALA HB H 1.352 0.020 1 112 12 23 ALA C C 179.484 0.3 1 113 12 23 ALA CA C 55.268 0.3 1 114 12 23 ALA CB C 17.742 0.3 1 115 12 23 ALA N N 121.749 0.3 1 116 13 24 GLN H H 8.151 0.020 1 117 13 24 GLN HA H 4.007 0.020 1 118 13 24 GLN HB2 H 2.058 0.020 2 119 13 24 GLN HB3 H 1.969 0.020 2 120 13 24 GLN HG2 H 2.127 0.020 2 121 13 24 GLN HG3 H 1.986 0.020 2 122 13 24 GLN HE21 H 6.811 0.020 1 123 13 24 GLN HE22 H 6.719 0.020 1 124 13 24 GLN C C 176.075 0.3 1 125 13 24 GLN CA C 58.232 0.3 1 126 13 24 GLN CB C 27.750 0.3 1 127 13 24 GLN CG C 32.891 0.3 1 128 13 24 GLN N N 119.544 0.3 1 129 13 24 GLN NE2 N 109.935 0.3 1 130 14 25 LEU H H 7.889 0.020 1 131 14 25 LEU HA H 3.556 0.020 1 132 14 25 LEU HB2 H 1.868 0.020 2 133 14 25 LEU HB3 H 1.526 0.020 2 134 14 25 LEU HG H 1.445 0.020 1 135 14 25 LEU HD1 H 0.583 0.020 1 136 14 25 LEU HD2 H 0.274 0.020 1 137 14 25 LEU C C 176.935 0.3 1 138 14 25 LEU CA C 57.724 0.3 1 139 14 25 LEU CB C 41.687 0.3 1 140 14 25 LEU CG C 26.731 0.3 1 141 14 25 LEU CD1 C 22.908 0.3 1 142 14 25 LEU CD2 C 25.220 0.3 1 143 14 25 LEU N N 121.127 0.3 1 144 15 26 LYS H H 8.174 0.020 1 145 15 26 LYS HA H 2.662 0.020 1 146 15 26 LYS HB2 H 1.320 0.020 2 147 15 26 LYS HB3 H 0.416 0.020 2 148 15 26 LYS HG2 H 0.013 0.020 1 149 15 26 LYS HG3 H 0.013 0.020 1 150 15 26 LYS HD2 H 1.111 0.020 2 151 15 26 LYS HD3 H 0.919 0.020 2 152 15 26 LYS HE2 H 2.634 0.020 2 153 15 26 LYS HE3 H 2.522 0.020 2 154 15 26 LYS C C 176.022 0.3 1 155 15 26 LYS CA C 60.038 0.3 1 156 15 26 LYS CB C 32.211 0.3 1 157 15 26 LYS CG C 24.591 0.3 1 158 15 26 LYS CD C 29.862 0.3 1 159 15 26 LYS CE C 41.619 0.3 1 160 15 26 LYS N N 120.458 0.3 1 161 16 27 PHE H H 7.855 0.020 1 162 16 27 PHE HA H 4.187 0.020 1 163 16 27 PHE HB2 H 3.026 0.020 2 164 16 27 PHE HB3 H 2.944 0.020 2 165 16 27 PHE HD1 H 7.011 0.020 1 166 16 27 PHE HD2 H 7.011 0.020 1 167 16 27 PHE HE1 H 6.990 0.020 1 168 16 27 PHE HE2 H 6.990 0.020 1 169 16 27 PHE HZ H 6.731 0.020 1 170 16 27 PHE C C 177.917 0.3 1 171 16 27 PHE CA C 60.330 0.3 1 172 16 27 PHE CB C 38.494 0.3 1 173 16 27 PHE N N 119.257 0.3 1 174 17 28 LEU H H 8.560 0.020 1 175 17 28 LEU HA H 3.598 0.020 1 176 17 28 LEU HB2 H 1.816 0.020 1 177 17 28 LEU HB3 H 1.816 0.020 1 178 17 28 LEU HG H 1.774 0.020 1 179 17 28 LEU HD1 H 0.272 0.020 1 180 17 28 LEU HD2 H 0.737 0.020 1 181 17 28 LEU C C 177.988 0.3 1 182 17 28 LEU CA C 57.962 0.3 1 183 17 28 LEU CB C 41.698 0.3 1 184 17 28 LEU CD1 C 25.202 0.3 1 185 17 28 LEU CD2 C 21.850 0.3 1 186 17 28 LEU N N 121.489 0.3 1 187 18 29 CYS H H 8.194 0.020 1 188 18 29 CYS HA H 4.235 0.020 1 189 18 29 CYS HB2 H 3.073 0.020 2 190 18 29 CYS HB3 H 2.547 0.020 2 191 18 29 CYS C C 176.987 0.3 1 192 18 29 CYS CA C 65.574 0.3 1 193 18 29 CYS CB C 27.304 0.3 1 194 18 29 CYS N N 116.216 0.3 1 195 19 30 GLU H H 8.842 0.020 1 196 19 30 GLU HA H 3.885 0.020 1 197 19 30 GLU HB2 H 1.915 0.020 1 198 19 30 GLU HB3 H 1.915 0.020 1 199 19 30 GLU HG2 H 2.093 0.020 2 200 19 30 GLU HG3 H 1.985 0.020 2 201 19 30 GLU C C 176.436 0.3 1 202 19 30 GLU CA C 59.886 0.3 1 203 19 30 GLU CB C 29.281 0.3 1 204 19 30 GLU CG C 37.683 0.3 1 205 19 30 GLU N N 123.947 0.3 1 206 20 31 SER H H 8.198 0.020 1 207 20 31 SER HA H 4.056 0.020 1 208 20 31 SER HB2 H 3.723 0.020 2 209 20 31 SER HB3 H 3.544 0.020 2 210 20 31 SER C C 174.835 0.3 1 211 20 31 SER CA C 61.729 0.3 1 212 20 31 SER CB C 62.360 0.3 1 213 20 31 SER N N 116.500 0.3 1 214 21 32 LEU H H 7.970 0.020 1 215 21 32 LEU HA H 3.911 0.020 1 216 21 32 LEU HB2 H 1.985 0.020 1 217 21 32 LEU HB3 H 1.985 0.020 1 218 21 32 LEU HG H 1.381 0.020 1 219 21 32 LEU HD1 H 0.767 0.020 1 220 21 32 LEU HD2 H 0.705 0.020 1 221 21 32 LEU C C 175.905 0.3 1 222 21 32 LEU CA C 57.953 0.3 1 223 21 32 LEU CB C 41.609 0.3 1 224 21 32 LEU CG C 29.657 0.3 1 225 21 32 LEU CD1 C 23.768 0.3 1 226 21 32 LEU CD2 C 27.238 0.3 1 227 21 32 LEU N N 121.186 0.3 1 228 22 33 TYR H H 7.473 0.020 1 229 22 33 TYR HA H 4.318 0.020 1 230 22 33 TYR HB2 H 3.263 0.020 2 231 22 33 TYR HB3 H 2.959 0.020 2 232 22 33 TYR HD1 H 6.950 0.020 1 233 22 33 TYR HD2 H 6.950 0.020 1 234 22 33 TYR HE1 H 6.658 0.020 1 235 22 33 TYR HE2 H 6.658 0.020 1 236 22 33 TYR C C 175.453 0.3 1 237 22 33 TYR CA C 62.240 0.3 1 238 22 33 TYR CB C 37.143 0.3 1 239 22 33 TYR N N 119.690 0.3 1 240 23 34 ASP H H 8.249 0.020 1 241 23 34 ASP HA H 4.047 0.020 1 242 23 34 ASP HB2 H 2.628 0.020 2 243 23 34 ASP HB3 H 2.459 0.020 2 244 23 34 ASP C C 178.796 0.3 1 245 23 34 ASP CA C 57.284 0.3 1 246 23 34 ASP CB C 39.883 0.3 1 247 23 34 ASP N N 118.291 0.3 1 248 24 35 GLU H H 8.347 0.020 1 249 24 35 GLU HA H 3.931 0.020 1 250 24 35 GLU HB2 H 1.758 0.020 1 251 24 35 GLU HB3 H 1.758 0.020 1 252 24 35 GLU HG2 H 2.100 0.020 2 253 24 35 GLU HG3 H 2.009 0.020 2 254 24 35 GLU C C 178.457 0.3 1 255 24 35 GLU CA C 58.561 0.3 1 256 24 35 GLU CB C 28.922 0.3 1 257 24 35 GLU CG C 35.621 0.3 1 258 24 35 GLU N N 120.605 0.3 1 259 25 36 GLY H H 8.701 0.020 1 260 25 36 GLY HA2 H 3.421 0.020 2 261 25 36 GLY HA3 H 3.032 0.020 2 262 25 36 GLY C C 173.906 0.3 1 263 25 36 GLY CA C 47.468 0.3 1 264 25 36 GLY N N 111.777 0.3 1 265 26 37 ILE H H 8.717 0.020 1 266 26 37 ILE HA H 3.757 0.020 1 267 26 37 ILE HB H 1.829 0.020 1 268 26 37 ILE HG12 H 1.116 0.020 2 269 26 37 ILE HG13 H 0.869 0.020 2 270 26 37 ILE HG2 H 0.699 0.020 1 271 26 37 ILE HD1 H 0.652 0.020 1 272 26 37 ILE C C 178.116 0.3 1 273 26 37 ILE CA C 62.231 0.3 1 274 26 37 ILE CB C 35.688 0.3 1 275 26 37 ILE CG1 C 26.774 0.3 1 276 26 37 ILE CG2 C 17.398 0.3 1 277 26 37 ILE CD1 C 9.875 0.3 1 278 26 37 ILE N N 122.263 0.3 1 279 27 38 ALA H H 7.672 0.020 1 280 27 38 ALA HA H 3.960 0.020 1 281 27 38 ALA HB H 1.287 0.020 1 282 27 38 ALA C C 178.428 0.3 1 283 27 38 ALA CA C 54.493 0.3 1 284 27 38 ALA CB C 18.050 0.3 1 285 27 38 ALA N N 122.092 0.3 1 286 28 39 THR H H 7.554 0.020 1 287 28 39 THR HA H 3.734 0.020 1 288 28 39 THR HB H 3.991 0.020 1 289 28 39 THR HG2 H 0.931 0.020 1 290 28 39 THR C C 174.403 0.3 1 291 28 39 THR CA C 65.750 0.3 1 292 28 39 THR CB C 68.530 0.3 1 293 28 39 THR CG2 C 21.224 0.3 1 294 28 39 THR N N 115.031 0.3 1 295 29 40 LEU H H 7.580 0.020 1 296 29 40 LEU HA H 3.810 0.020 1 297 29 40 LEU HB2 H 1.686 0.020 2 298 29 40 LEU HB3 H 1.261 0.020 2 299 29 40 LEU HG H 1.713 0.020 1 300 29 40 LEU HD1 H 0.591 0.020 1 301 29 40 LEU HD2 H 0.465 0.020 1 302 29 40 LEU C C 176.694 0.3 1 303 29 40 LEU CA C 56.494 0.3 1 304 29 40 LEU CB C 42.179 0.3 1 305 29 40 LEU CG C 26.373 0.3 1 306 29 40 LEU CD1 C 25.995 0.3 1 307 29 40 LEU CD2 C 23.357 0.3 1 308 29 40 LEU N N 121.356 0.3 1 309 30 41 GLY HA2 H 3.756 0.020 2 310 30 41 GLY HA3 H 3.323 0.020 2 311 30 41 GLY CA C 44.903 0.3 1 312 31 42 ASP H H 8.017 0.020 1 313 31 42 ASP HA H 4.563 0.020 1 314 31 42 ASP HB2 H 2.607 0.020 2 315 31 42 ASP HB3 H 2.491 0.020 2 316 31 42 ASP C C 175.609 0.3 1 317 31 42 ASP CA C 53.883 0.3 1 318 31 42 ASP CB C 41.558 0.3 1 319 31 42 ASP N N 119.983 0.3 1 320 32 43 SER H H 8.284 0.020 1 321 32 43 SER HA H 4.191 0.020 1 322 32 43 SER HB2 H 3.661 0.020 2 323 32 43 SER HB3 H 3.593 0.020 2 324 32 43 SER C C 178.747 0.3 1 325 32 43 SER CA C 59.247 0.3 1 326 32 43 SER CB C 63.224 0.3 1 327 32 43 SER N N 118.027 0.3 1 328 33 44 HIS HA H 4.345 0.020 1 329 33 44 HIS HB2 H 2.920 0.020 1 330 33 44 HIS HB3 H 2.920 0.020 1 331 33 44 HIS HD2 H 6.824 0.020 1 332 33 44 HIS CA C 57.029 0.3 1 333 33 44 HIS CB C 29.559 0.3 1 334 33 44 HIS CD2 C 119.356 0.3 1 335 34 45 HIS H H 7.896 0.020 1 336 34 45 HIS HA H 4.484 0.020 1 337 34 45 HIS HB2 H 3.128 0.020 2 338 34 45 HIS HB3 H 2.836 0.020 2 339 34 45 HIS HD2 H 6.659 0.020 1 340 34 45 HIS CA C 55.947 0.3 1 341 34 45 HIS CB C 29.767 0.3 1 342 34 45 HIS CD2 C 118.034 0.3 1 343 34 45 HIS N N 117.885 0.3 1 344 35 46 GLY H H 7.864 0.020 1 345 35 46 GLY HA2 H 3.965 0.020 2 346 35 46 GLY HA3 H 3.597 0.020 2 347 35 46 GLY C C 172.466 0.3 1 348 35 46 GLY CA C 45.299 0.3 1 349 35 46 GLY N N 108.681 0.3 1 350 36 47 TRP H H 7.809 0.020 1 351 36 47 TRP HA H 4.494 0.020 1 352 36 47 TRP HB2 H 3.040 0.020 2 353 36 47 TRP HB3 H 2.961 0.020 2 354 36 47 TRP HD1 H 7.076 0.020 1 355 36 47 TRP HE1 H 10.030 0.020 1 356 36 47 TRP HE3 H 7.313 0.020 1 357 36 47 TRP HZ2 H 7.329 0.020 1 358 36 47 TRP HZ3 H 6.897 0.020 1 359 36 47 TRP HH2 H 6.974 0.020 1 360 36 47 TRP C C 174.594 0.3 1 361 36 47 TRP CA C 57.866 0.3 1 362 36 47 TRP CB C 29.587 0.3 1 363 36 47 TRP N N 120.973 0.3 1 364 36 47 TRP NE1 N 129.886 0.3 1 365 37 48 VAL H H 7.712 0.020 1 366 37 48 VAL HA H 3.787 0.020 1 367 37 48 VAL HB H 1.722 0.020 1 368 37 48 VAL HG1 H 0.651 0.020 1 369 37 48 VAL HG2 H 0.669 0.020 1 370 37 48 VAL C C 173.396 0.3 1 371 37 48 VAL CA C 61.284 0.3 1 372 37 48 VAL CB C 33.534 0.3 1 373 37 48 VAL CG1 C 21.018 0.3 1 374 37 48 VAL CG2 C 20.333 0.3 1 375 37 48 VAL N N 122.778 0.3 1 376 38 49 ASN H H 7.768 0.020 1 377 38 49 ASN HA H 4.235 0.020 1 378 38 49 ASN HB2 H 2.257 0.020 1 379 38 49 ASN HB3 H 2.257 0.020 1 380 38 49 ASN C C 172.186 0.3 1 381 38 49 ASN CA C 54.070 0.3 1 382 38 49 ASN CB C 40.629 0.3 1 383 38 49 ASN N N 121.869 0.3 1 384 39 50 ASP H H 8.300 0.020 1 385 39 50 ASP HA H 4.859 0.020 1 386 39 50 ASP HB2 H 2.728 0.020 2 387 39 50 ASP HB3 H 2.392 0.020 2 388 39 50 ASP C C 173.301 0.3 1 389 39 50 ASP CA C 49.860 0.3 1 390 39 50 ASP CB C 41.708 0.3 1 391 39 50 ASP N N 123.332 0.3 1 392 40 51 PRO HA H 4.156 0.020 1 393 40 51 PRO HB2 H 2.058 0.020 2 394 40 51 PRO HB3 H 1.717 0.020 2 395 40 51 PRO HG2 H 1.312 0.020 2 396 40 51 PRO HG3 H 1.238 0.020 2 397 40 51 PRO HD2 H 3.328 0.020 2 398 40 51 PRO HD3 H 3.289 0.020 2 399 40 51 PRO CA C 63.934 0.3 1 400 40 51 PRO CB C 32.892 0.3 1 401 40 51 PRO CG C 26.648 0.3 1 402 40 51 PRO CD C 50.912 0.3 1 403 41 52 THR H H 7.923 0.020 1 404 41 52 THR HA H 4.191 0.020 1 405 41 52 THR HB H 4.244 0.020 1 406 41 52 THR HG2 H 1.053 0.020 1 407 41 52 THR C C 173.405 0.3 1 408 41 52 THR CA C 61.283 0.3 1 409 41 52 THR CB C 69.351 0.3 1 410 41 52 THR CG2 C 21.633 0.3 1 411 41 52 THR N N 107.824 0.3 1 412 42 53 SER H H 7.705 0.020 1 413 42 53 SER HA H 4.187 0.020 1 414 42 53 SER HB2 H 4.097 0.020 2 415 42 53 SER HB3 H 3.931 0.020 2 416 42 53 SER C C 172.750 0.3 1 417 42 53 SER CA C 58.320 0.3 1 418 42 53 SER CB C 64.569 0.3 1 419 42 53 SER N N 118.745 0.3 1 420 43 54 ALA H H 8.540 0.020 1 421 43 54 ALA HA H 3.960 0.020 1 422 43 54 ALA HB H 1.318 0.020 1 423 43 54 ALA C C 178.795 0.3 1 424 43 54 ALA CA C 55.136 0.3 1 425 43 54 ALA CB C 18.144 0.3 1 426 43 54 ALA N N 124.591 0.3 1 427 44 55 VAL H H 7.836 0.020 1 428 44 55 VAL HA H 3.719 0.020 1 429 44 55 VAL HB H 1.910 0.020 1 430 44 55 VAL HG1 H 0.793 0.020 1 431 44 55 VAL HG2 H 0.859 0.020 1 432 44 55 VAL C C 176.057 0.3 1 433 44 55 VAL CA C 64.702 0.3 1 434 44 55 VAL CB C 31.735 0.3 1 435 44 55 VAL CG1 C 21.429 0.3 1 436 44 55 VAL CG2 C 21.224 0.3 1 437 44 55 VAL N N 115.734 0.3 1 438 45 56 ASN H H 7.709 0.020 1 439 45 56 ASN HA H 4.044 0.020 1 440 45 56 ASN HB2 H 2.602 0.020 2 441 45 56 ASN HB3 H 2.499 0.020 2 442 45 56 ASN HD21 H 7.694 0.020 1 443 45 56 ASN HD22 H 6.531 0.020 1 444 45 56 ASN C C 176.022 0.3 1 445 45 56 ASN CA C 56.835 0.3 1 446 45 56 ASN CB C 37.721 0.3 1 447 45 56 ASN N N 123.038 0.3 1 448 45 56 ASN ND2 N 113.500 0.3 1 449 46 57 LEU H H 8.239 0.020 1 450 46 57 LEU HA H 3.926 0.020 1 451 46 57 LEU HB2 H 1.630 0.020 2 452 46 57 LEU HB3 H 1.421 0.020 2 453 46 57 LEU HG H 1.586 0.020 1 454 46 57 LEU HD1 H 0.701 0.020 1 455 46 57 LEU HD2 H 0.707 0.020 1 456 46 57 LEU C C 178.192 0.3 1 457 46 57 LEU CA C 58.043 0.3 1 458 46 57 LEU CB C 40.830 0.3 1 459 46 57 LEU CG C 26.805 0.3 1 460 46 57 LEU CD1 C 25.072 0.3 1 461 46 57 LEU CD2 C 22.861 0.3 1 462 46 57 LEU N N 122.005 0.3 1 463 47 58 GLN H H 7.825 0.020 1 464 47 58 GLN HA H 3.971 0.020 1 465 47 58 GLN HB2 H 2.014 0.020 2 466 47 58 GLN HB3 H 1.939 0.020 2 467 47 58 GLN HG2 H 2.273 0.020 1 468 47 58 GLN HG3 H 2.273 0.020 1 469 47 58 GLN HE21 H 7.446 0.020 1 470 47 58 GLN HE22 H 6.638 0.020 1 471 47 58 GLN C C 177.762 0.3 1 472 47 58 GLN CA C 58.691 0.3 1 473 47 58 GLN CB C 28.127 0.3 1 474 47 58 GLN CG C 34.051 0.3 1 475 47 58 GLN N N 119.394 0.3 1 476 47 58 GLN NE2 N 111.781 0.3 1 477 48 59 LEU H H 7.625 0.020 1 478 48 59 LEU HA H 3.743 0.020 1 479 48 59 LEU HB2 H 1.375 0.020 1 480 48 59 LEU HB3 H 1.375 0.020 1 481 48 59 LEU HG H 1.213 0.020 1 482 48 59 LEU HD1 H 0.130 0.020 1 483 48 59 LEU HD2 H 0.111 0.020 1 484 48 59 LEU C C 177.366 0.3 1 485 48 59 LEU CA C 58.274 0.3 1 486 48 59 LEU CB C 41.459 0.3 1 487 48 59 LEU CG C 26.554 0.3 1 488 48 59 LEU CD1 C 24.704 0.3 1 489 48 59 LEU CD2 C 24.863 0.3 1 490 48 59 LEU N N 122.808 0.3 1 491 49 60 ASN H H 7.797 0.020 1 492 49 60 ASN HA H 4.286 0.020 1 493 49 60 ASN HB2 H 2.815 0.020 1 494 49 60 ASN HB3 H 2.815 0.020 1 495 49 60 ASN HD21 H 7.250 0.020 1 496 49 60 ASN HD22 H 6.578 0.020 1 497 49 60 ASN C C 176.893 0.3 1 498 49 60 ASN CA C 56.136 0.3 1 499 49 60 ASN CB C 37.610 0.3 1 500 49 60 ASN N N 117.784 0.3 1 501 49 60 ASN ND2 N 108.257 0.3 1 502 50 61 ASP H H 7.868 0.020 1 503 50 61 ASP HA H 4.304 0.020 1 504 50 61 ASP HB2 H 2.716 0.020 2 505 50 61 ASP HB3 H 2.553 0.020 2 506 50 61 ASP C C 177.452 0.3 1 507 50 61 ASP CA C 57.387 0.3 1 508 50 61 ASP CB C 40.590 0.3 1 509 50 61 ASP N N 120.887 0.3 1 510 51 62 LEU H H 7.627 0.020 1 511 51 62 LEU HA H 4.158 0.020 1 512 51 62 LEU HB2 H 1.886 0.020 1 513 51 62 LEU HB3 H 1.886 0.020 1 514 51 62 LEU HG H 1.506 0.020 1 515 51 62 LEU HD1 H 0.785 0.020 1 516 51 62 LEU HD2 H 0.673 0.020 1 517 51 62 LEU C C 177.345 0.3 1 518 51 62 LEU CA C 57.964 0.3 1 519 51 62 LEU CB C 41.001 0.3 1 520 51 62 LEU CG C 26.821 0.3 1 521 51 62 LEU CD1 C 22.563 0.3 1 522 51 62 LEU CD2 C 25.107 0.3 1 523 51 62 LEU N N 123.117 0.3 1 524 52 63 ILE H H 8.309 0.020 1 525 52 63 ILE HA H 3.367 0.020 1 526 52 63 ILE HB H 1.983 0.020 1 527 52 63 ILE HG12 H 1.892 0.020 1 528 52 63 ILE HG13 H 1.892 0.020 1 529 52 63 ILE HG2 H 0.814 0.020 1 530 52 63 ILE HD1 H 0.780 0.020 1 531 52 63 ILE C C 176.246 0.3 1 532 52 63 ILE CA C 67.020 0.3 1 533 52 63 ILE CB C 38.182 0.3 1 534 52 63 ILE CG2 C 17.531 0.3 1 535 52 63 ILE CD1 C 13.698 0.3 1 536 52 63 ILE N N 120.007 0.3 1 537 53 64 GLU H H 7.965 0.020 1 538 53 64 GLU HA H 3.931 0.020 1 539 53 64 GLU HB2 H 2.010 0.020 1 540 53 64 GLU HB3 H 2.010 0.020 1 541 53 64 GLU HG2 H 2.353 0.020 2 542 53 64 GLU HG3 H 2.141 0.020 2 543 53 64 GLU C C 178.193 0.3 1 544 53 64 GLU CA C 59.453 0.3 1 545 53 64 GLU CB C 29.348 0.3 1 546 53 64 GLU CG C 36.534 0.3 1 547 53 64 GLU N N 117.619 0.3 1 548 54 65 HIS H H 8.117 0.020 1 549 54 65 HIS HA H 4.312 0.020 1 550 54 65 HIS HB2 H 3.360 0.020 2 551 54 65 HIS HB3 H 3.156 0.020 2 552 54 65 HIS HD2 H 6.741 0.020 1 553 54 65 HIS HE1 H 7.858 0.020 1 554 54 65 HIS C C 177.331 0.3 1 555 54 65 HIS CA C 59.562 0.3 1 556 54 65 HIS CB C 30.197 0.3 1 557 54 65 HIS CD2 C 119.895 0.3 1 558 54 65 HIS CE1 C 137.468 0.3 1 559 54 65 HIS N N 120.335 0.3 1 560 55 66 ILE H H 8.655 0.020 1 561 55 66 ILE HA H 3.439 0.020 1 562 55 66 ILE HB H 1.861 0.020 1 563 55 66 ILE HG12 H 2.180 0.020 1 564 55 66 ILE HG13 H 2.180 0.020 1 565 55 66 ILE HG2 H 0.788 0.020 1 566 55 66 ILE HD1 H 0.740 0.020 1 567 55 66 ILE C C 176.281 0.3 1 568 55 66 ILE CA C 65.951 0.3 1 569 55 66 ILE CB C 37.029 0.3 1 570 55 66 ILE CG2 C 18.756 0.3 1 571 55 66 ILE CD1 C 15.617 0.3 1 572 55 66 ILE N N 120.694 0.3 1 573 56 67 ALA H H 9.063 0.020 1 574 56 67 ALA HA H 3.761 0.020 1 575 56 67 ALA HB H 1.399 0.020 1 576 56 67 ALA C C 179.581 0.3 1 577 56 67 ALA CA C 55.612 0.3 1 578 56 67 ALA CB C 17.649 0.3 1 579 56 67 ALA N N 123.896 0.3 1 580 57 68 SER H H 7.918 0.020 1 581 57 68 SER HA H 4.165 0.020 1 582 57 68 SER HB2 H 3.924 0.020 1 583 57 68 SER HB3 H 3.924 0.020 1 584 57 68 SER C C 175.540 0.3 1 585 57 68 SER CA C 61.491 0.3 1 586 57 68 SER CB C 62.640 0.3 1 587 57 68 SER N N 114.014 0.3 1 588 58 69 PHE H H 8.024 0.020 1 589 58 69 PHE HA H 4.018 0.020 1 590 58 69 PHE HB2 H 3.227 0.020 2 591 58 69 PHE HB3 H 2.863 0.020 2 592 58 69 PHE HD1 H 7.093 0.020 1 593 58 69 PHE HD2 H 7.093 0.020 1 594 58 69 PHE HE1 H 7.275 0.020 1 595 58 69 PHE HE2 H 7.275 0.020 1 596 58 69 PHE HZ H 7.514 0.020 1 597 58 69 PHE C C 177.343 0.3 1 598 58 69 PHE CA C 61.676 0.3 1 599 58 69 PHE CB C 39.184 0.3 1 600 58 69 PHE N N 125.013 0.3 1 601 59 70 VAL H H 9.263 0.020 1 602 59 70 VAL HA H 3.657 0.020 1 603 59 70 VAL HB H 2.119 0.020 1 604 59 70 VAL HG1 H 0.969 0.020 1 605 59 70 VAL HG2 H 1.000 0.020 1 606 59 70 VAL C C 175.403 0.3 1 607 59 70 VAL CA C 66.102 0.3 1 608 59 70 VAL CB C 31.438 0.3 1 609 59 70 VAL CG1 C 21.769 0.3 1 610 59 70 VAL CG2 C 25.041 0.3 1 611 59 70 VAL N N 120.373 0.3 1 612 60 71 MET H H 7.826 0.020 1 613 60 71 MET HA H 4.002 0.020 1 614 60 71 MET HB2 H 2.159 0.020 2 615 60 71 MET HB3 H 2.096 0.020 2 616 60 71 MET HG2 H 2.598 0.020 2 617 60 71 MET HG3 H 2.500 0.020 2 618 60 71 MET HE H 1.967 0.020 1 619 60 71 MET C C 177.417 0.3 1 620 60 71 MET CA C 59.396 0.3 1 621 60 71 MET CB C 31.986 0.3 1 622 60 71 MET CG C 32.035 0.3 1 623 60 71 MET CE C 16.993 0.3 1 624 60 71 MET N N 120.360 0.3 1 625 61 72 SER H H 7.230 0.020 1 626 61 72 SER HA H 4.035 0.020 1 627 61 72 SER HB2 H 3.719 0.020 2 628 61 72 SER HB3 H 3.646 0.020 2 629 61 72 SER CA C 61.619 0.3 1 630 61 72 SER CB C 62.600 0.3 1 631 61 72 SER N N 113.289 0.3 1 632 62 73 PHE H H 8.681 0.020 1 633 62 73 PHE HA H 3.641 0.020 1 634 62 73 PHE HB2 H 2.769 0.020 1 635 62 73 PHE HB3 H 2.769 0.020 1 636 62 73 PHE HD1 H 7.029 0.020 1 637 62 73 PHE HD2 H 7.029 0.020 1 638 62 73 PHE HE1 H 7.127 0.020 3 639 62 73 PHE HE2 H 7.004 0.020 3 640 62 73 PHE HZ H 7.088 0.020 1 641 62 73 PHE CA C 61.944 0.3 1 642 62 73 PHE CB C 40.462 0.3 1 643 62 73 PHE CD2 C 131.981 0.3 1 644 62 73 PHE CE1 C 131.010 0.3 1 645 62 73 PHE CE2 C 131.448 0.3 1 646 62 73 PHE CZ C 129.582 0.3 1 647 62 73 PHE N N 126.395 0.3 1 648 63 74 LYS H H 8.585 0.020 1 649 63 74 LYS HA H 4.032 0.020 1 650 63 74 LYS HB2 H 1.750 0.020 1 651 63 74 LYS HB3 H 1.750 0.020 1 652 63 74 LYS HG2 H 1.681 0.020 2 653 63 74 LYS HG3 H 1.564 0.020 2 654 63 74 LYS HD2 H 1.643 0.020 2 655 63 74 LYS HD3 H 1.518 0.020 2 656 63 74 LYS HE2 H 2.761 0.020 1 657 63 74 LYS HE3 H 2.761 0.020 1 658 63 74 LYS C C 177.262 0.3 1 659 63 74 LYS CA C 58.688 0.3 1 660 63 74 LYS CB C 32.849 0.3 1 661 63 74 LYS CG C 25.091 0.3 1 662 63 74 LYS CD C 30.054 0.3 1 663 63 74 LYS CE C 41.327 0.3 1 664 63 74 LYS N N 116.676 0.3 1 665 64 75 ILE H H 6.751 0.020 1 666 64 75 ILE HA H 3.523 0.020 1 667 64 75 ILE HB H 1.663 0.020 1 668 64 75 ILE HG12 H 1.540 0.020 2 669 64 75 ILE HG13 H 1.015 0.020 2 670 64 75 ILE HG2 H 0.669 0.020 1 671 64 75 ILE HD1 H 0.687 0.020 1 672 64 75 ILE C C 176.151 0.3 1 673 64 75 ILE CA C 62.993 0.3 1 674 64 75 ILE CB C 38.177 0.3 1 675 64 75 ILE CG1 C 28.590 0.3 1 676 64 75 ILE CG2 C 16.987 0.3 1 677 64 75 ILE CD1 C 12.663 0.3 1 678 64 75 ILE N N 117.020 0.3 1 679 65 76 LYS H H 7.058 0.020 1 680 65 76 LYS HA H 3.439 0.020 1 681 65 76 LYS HB2 H 0.938 0.020 2 682 65 76 LYS HB3 H 0.655 0.020 2 683 65 76 LYS HG2 H 0.883 0.020 1 684 65 76 LYS HG3 H 0.883 0.020 1 685 65 76 LYS HD2 H 1.141 0.020 1 686 65 76 LYS HD3 H 1.141 0.020 1 687 65 76 LYS HE2 H 2.536 0.020 1 688 65 76 LYS HE3 H 2.536 0.020 1 689 65 76 LYS C C 175.133 0.3 1 690 65 76 LYS CA C 58.955 0.3 1 691 65 76 LYS CB C 32.957 0.3 1 692 65 76 LYS N N 120.165 0.3 1 693 66 77 TYR H H 7.784 0.020 1 694 66 77 TYR HA H 4.888 0.020 1 695 66 77 TYR HB2 H 2.945 0.020 1 696 66 77 TYR HB3 H 2.945 0.020 1 697 66 77 TYR HD1 H 7.051 0.020 1 698 66 77 TYR HD2 H 7.051 0.020 1 699 66 77 TYR HE1 H 6.748 0.020 1 700 66 77 TYR HE2 H 6.748 0.020 1 701 66 77 TYR C C 173.061 0.3 1 702 66 77 TYR CA C 54.529 0.3 1 703 66 77 TYR CB C 36.669 0.3 1 704 66 77 TYR N N 115.421 0.3 1 705 67 78 PRO HA H 4.357 0.020 1 706 67 78 PRO HB2 H 2.185 0.020 2 707 67 78 PRO HB3 H 1.877 0.020 2 708 67 78 PRO HG2 H 1.840 0.020 2 709 67 78 PRO HG3 H 1.728 0.020 2 710 67 78 PRO HD2 H 3.453 0.020 2 711 67 78 PRO HD3 H 3.157 0.020 2 712 67 78 PRO CA C 64.510 0.3 1 713 67 78 PRO CB C 31.905 0.3 1 714 67 78 PRO CG C 64.510 0.3 1 715 67 78 PRO CD C 50.215 0.3 1 716 68 79 ASP H H 8.548 0.020 1 717 68 79 ASP HA H 4.727 0.020 1 718 68 79 ASP HB2 H 2.756 0.020 2 719 68 79 ASP HB3 H 2.501 0.020 2 720 68 79 ASP C C 175.024 0.3 1 721 68 79 ASP CA C 54.743 0.3 1 722 68 79 ASP CB C 40.494 0.3 1 723 68 79 ASP N N 117.110 0.3 1 724 69 80 ASP H H 7.545 0.020 1 725 69 80 ASP HA H 4.991 0.020 1 726 69 80 ASP HB2 H 3.076 0.020 2 727 69 80 ASP HB3 H 2.485 0.020 2 728 69 80 ASP C C 174.782 0.3 1 729 69 80 ASP CA C 54.315 0.3 1 730 69 80 ASP CB C 40.163 0.3 1 731 69 80 ASP N N 122.994 0.3 1 732 70 81 GLY H H 7.879 0.020 1 733 70 81 GLY HA2 H 3.837 0.020 1 734 70 81 GLY HA3 H 3.837 0.020 1 735 70 81 GLY C C 173.987 0.3 1 736 70 81 GLY CA C 47.332 0.3 1 737 70 81 GLY N N 107.712 0.3 1 738 71 82 ASP H H 8.447 0.020 1 739 71 82 ASP HA H 4.195 0.020 1 740 71 82 ASP HB2 H 2.469 0.020 1 741 71 82 ASP HB3 H 2.469 0.020 1 742 71 82 ASP C C 177.114 0.3 1 743 71 82 ASP CA C 57.052 0.3 1 744 71 82 ASP CB C 39.345 0.3 1 745 71 82 ASP N N 119.785 0.3 1 746 72 83 LEU H H 7.562 0.020 1 747 72 83 LEU HA H 3.867 0.020 1 748 72 83 LEU HB2 H 1.782 0.020 2 749 72 83 LEU HB3 H 1.299 0.020 2 750 72 83 LEU HG H 0.954 0.020 1 751 72 83 LEU HD1 H 0.179 0.020 1 752 72 83 LEU HD2 H 0.432 0.020 1 753 72 83 LEU C C 176.531 0.3 1 754 72 83 LEU CA C 57.452 0.3 1 755 72 83 LEU CB C 41.735 0.3 1 756 72 83 LEU CG C 27.101 0.3 1 757 72 83 LEU CD1 C 23.005 0.3 1 758 72 83 LEU CD2 C 25.609 0.3 1 759 72 83 LEU N N 119.776 0.3 1 760 73 84 SER H H 8.050 0.020 1 761 73 84 SER HA H 3.605 0.020 1 762 73 84 SER HB2 H 3.783 0.020 1 763 73 84 SER HB3 H 3.783 0.020 1 764 73 84 SER C C 174.610 0.3 1 765 73 84 SER CA C 62.161 0.3 1 766 73 84 SER CB C 62.158 0.3 1 767 73 84 SER N N 113.964 0.3 1 768 74 85 GLU H H 8.623 0.020 1 769 74 85 GLU HA H 4.071 0.020 1 770 74 85 GLU HB2 H 1.994 0.020 2 771 74 85 GLU HB3 H 1.908 0.020 2 772 74 85 GLU HG2 H 2.306 0.020 2 773 74 85 GLU HG3 H 2.187 0.020 2 774 74 85 GLU C C 178.089 0.3 1 775 74 85 GLU CA C 59.102 0.3 1 776 74 85 GLU CB C 29.213 0.3 1 777 74 85 GLU CG C 36.818 0.3 1 778 74 85 GLU N N 119.742 0.3 1 779 75 86 LEU H H 7.255 0.020 1 780 75 86 LEU HA H 4.243 0.020 1 781 75 86 LEU HB2 H 1.620 0.020 2 782 75 86 LEU HB3 H 1.549 0.020 2 783 75 86 LEU HG H 1.501 0.020 1 784 75 86 LEU HD1 H 0.795 0.020 1 785 75 86 LEU HD2 H 0.676 0.020 1 786 75 86 LEU C C 177.962 0.3 1 787 75 86 LEU CA C 57.380 0.3 1 788 75 86 LEU CB C 41.404 0.3 1 789 75 86 LEU CG C 28.376 0.3 1 790 75 86 LEU CD1 C 24.389 0.3 1 791 75 86 LEU CD2 C 25.595 0.3 1 792 75 86 LEU N N 122.325 0.3 1 793 76 87 VAL H H 8.235 0.020 1 794 76 87 VAL HA H 3.587 0.020 1 795 76 87 VAL HB H 2.126 0.020 1 796 76 87 VAL HG1 H 0.828 0.020 1 797 76 87 VAL HG2 H 0.863 0.020 1 798 76 87 VAL C C 176.909 0.3 1 799 76 87 VAL CA C 67.260 0.3 1 800 76 87 VAL CB C 30.943 0.3 1 801 76 87 VAL CG1 C 23.192 0.3 1 802 76 87 VAL CG2 C 23.715 0.3 1 803 76 87 VAL N N 119.514 0.3 1 804 77 88 GLU H H 8.204 0.020 1 805 77 88 GLU HA H 3.739 0.020 1 806 77 88 GLU HB2 H 2.158 0.020 2 807 77 88 GLU HB3 H 1.927 0.020 2 808 77 88 GLU HG2 H 2.562 0.020 2 809 77 88 GLU HG3 H 1.971 0.020 2 810 77 88 GLU C C 177.692 0.3 1 811 77 88 GLU CA C 61.007 0.3 1 812 77 88 GLU CB C 29.157 0.3 1 813 77 88 GLU CG C 38.002 0.3 1 814 77 88 GLU N N 118.692 0.3 1 815 78 89 GLU H H 8.058 0.020 1 816 78 89 GLU HA H 4.028 0.020 1 817 78 89 GLU HB2 H 2.148 0.020 1 818 78 89 GLU HB3 H 2.148 0.020 1 819 78 89 GLU HG2 H 2.407 0.020 1 820 78 89 GLU HG3 H 2.407 0.020 1 821 78 89 GLU C C 176.559 0.3 1 822 78 89 GLU CA C 59.574 0.3 1 823 78 89 GLU CB C 29.885 0.3 1 824 78 89 GLU CG C 35.893 0.3 1 825 78 89 GLU N N 121.945 0.3 1 826 79 90 TYR H H 8.347 0.020 1 827 79 90 TYR HA H 4.400 0.020 1 828 79 90 TYR HB2 H 2.900 0.020 1 829 79 90 TYR HB3 H 2.900 0.020 1 830 79 90 TYR HD1 H 6.909 0.020 3 831 79 90 TYR HD2 H 6.755 0.020 3 832 79 90 TYR HE1 H 6.455 0.020 1 833 79 90 TYR HE2 H 6.455 0.020 1 834 79 90 TYR C C 178.365 0.3 1 835 79 90 TYR CA C 60.101 0.3 1 836 79 90 TYR CB C 38.638 0.3 1 837 79 90 TYR CD1 C 132.205 0.3 1 838 79 90 TYR CE1 C 117.404 0.3 1 839 79 90 TYR N N 119.945 0.3 1 840 80 91 LEU H H 9.113 0.020 1 841 80 91 LEU HA H 3.649 0.020 1 842 80 91 LEU HB2 H 2.034 0.020 2 843 80 91 LEU HB3 H 1.353 0.020 2 844 80 91 LEU HG H 2.074 0.020 1 845 80 91 LEU HD1 H 0.790 0.020 1 846 80 91 LEU HD2 H 0.720 0.020 1 847 80 91 LEU C C 177.594 0.3 1 848 80 91 LEU CA C 58.679 0.3 1 849 80 91 LEU CB C 40.642 0.3 1 850 80 91 LEU CG C 29.585 0.3 1 851 80 91 LEU CD1 C 24.776 0.3 1 852 80 91 LEU CD2 C 21.942 0.3 1 853 80 91 LEU N N 123.586 0.3 1 854 81 92 ASP H H 8.228 0.020 1 855 81 92 ASP HA H 4.406 0.020 1 856 81 92 ASP HB2 H 2.955 0.020 2 857 81 92 ASP HB3 H 2.732 0.020 2 858 81 92 ASP C C 178.021 0.3 1 859 81 92 ASP CA C 57.689 0.3 1 860 81 92 ASP CB C 40.642 0.3 1 861 81 92 ASP N N 121.522 0.3 1 862 82 93 ASP H H 9.139 0.020 1 863 82 93 ASP HA H 4.422 0.020 1 864 82 93 ASP HB2 H 2.758 0.020 1 865 82 93 ASP HB3 H 2.758 0.020 1 866 82 93 ASP C C 178.342 0.3 1 867 82 93 ASP CA C 57.907 0.3 1 868 82 93 ASP CB C 40.833 0.3 1 869 82 93 ASP N N 120.931 0.3 1 870 83 94 THR H H 8.394 0.020 1 871 83 94 THR HA H 3.415 0.020 1 872 83 94 THR HB H 4.205 0.020 1 873 83 94 THR HG2 H 1.090 0.020 1 874 83 94 THR C C 173.663 0.3 1 875 83 94 THR CA C 67.258 0.3 1 876 83 94 THR CB C 68.017 0.3 1 877 83 94 THR CG2 C 21.625 0.3 1 878 83 94 THR N N 118.686 0.3 1 879 84 95 TYR H H 8.561 0.020 1 880 84 95 TYR HA H 3.743 0.020 1 881 84 95 TYR HB2 H 3.092 0.020 2 882 84 95 TYR HB3 H 3.011 0.020 2 883 84 95 TYR HD1 H 6.902 0.020 1 884 84 95 TYR HD2 H 6.902 0.020 1 885 84 95 TYR HE1 H 6.659 0.020 1 886 84 95 TYR HE2 H 6.659 0.020 1 887 84 95 TYR C C 177.983 0.3 1 888 84 95 TYR CA C 62.107 0.3 1 889 84 95 TYR CB C 38.451 0.3 1 890 84 95 TYR CD2 C 132.799 0.3 1 891 84 95 TYR CE2 C 118.131 0.3 1 892 84 95 TYR N N 122.004 0.3 1 893 85 96 THR H H 8.749 0.020 1 894 85 96 THR HA H 3.409 0.020 1 895 85 96 THR HB H 4.040 0.020 1 896 85 96 THR HG2 H 1.072 0.020 1 897 85 96 THR C C 174.628 0.3 1 898 85 96 THR CA C 66.483 0.3 1 899 85 96 THR CB C 68.604 0.3 1 900 85 96 THR CG2 C 21.906 0.3 1 901 85 96 THR N N 116.249 0.3 1 902 86 97 LEU H H 7.257 0.020 1 903 86 97 LEU HA H 3.555 0.020 1 904 86 97 LEU HB2 H 1.144 0.020 2 905 86 97 LEU HB3 H 0.824 0.020 2 906 86 97 LEU HG H -0.255 0.020 1 907 86 97 LEU HD1 H 0.301 0.020 1 908 86 97 LEU HD2 H -0.413 0.020 1 909 86 97 LEU C C 176.057 0.3 1 910 86 97 LEU CA C 58.006 0.3 1 911 86 97 LEU CB C 41.773 0.3 1 912 86 97 LEU CG C 25.613 0.3 1 913 86 97 LEU CD1 C 23.823 0.3 1 914 86 97 LEU CD2 C 27.330 0.3 1 915 86 97 LEU N N 121.835 0.3 1 916 87 98 PHE H H 7.168 0.020 1 917 87 98 PHE HA H 3.977 0.020 1 918 87 98 PHE HB2 H 3.064 0.020 2 919 87 98 PHE HB3 H 2.363 0.020 2 920 87 98 PHE HD1 H 7.056 0.020 1 921 87 98 PHE HD2 H 7.056 0.020 1 922 87 98 PHE HE1 H 6.228 0.020 1 923 87 98 PHE HE2 H 6.228 0.020 1 924 87 98 PHE HZ H 6.258 0.020 1 925 87 98 PHE C C 174.687 0.3 1 926 87 98 PHE CA C 60.740 0.3 1 927 87 98 PHE CB C 38.431 0.3 1 928 87 98 PHE CD2 C 131.282 0.3 1 929 87 98 PHE CE2 C 130.068 0.3 1 930 87 98 PHE CZ C 128.708 0.3 1 931 87 98 PHE N N 111.264 0.3 1 932 88 99 SER H H 7.290 0.020 1 933 88 99 SER HA H 4.207 0.020 1 934 88 99 SER HB2 H 3.649 0.020 2 935 88 99 SER HB3 H 3.256 0.020 2 936 88 99 SER C C 172.760 0.3 1 937 88 99 SER CA C 58.725 0.3 1 938 88 99 SER CB C 63.342 0.3 1 939 88 99 SER N N 112.848 0.3 1 940 89 100 SER H H 7.064 0.020 1 941 89 100 SER HA H 4.347 0.020 1 942 89 100 SER HB2 H 3.696 0.020 1 943 89 100 SER HB3 H 3.696 0.020 1 944 89 100 SER C C 172.251 0.3 1 945 89 100 SER CA C 57.597 0.3 1 946 89 100 SER CB C 64.426 0.3 1 947 89 100 SER N N 116.554 0.3 1 948 90 101 TYR H H 8.446 0.020 1 949 90 101 TYR HA H 4.343 0.020 1 950 90 101 TYR HB2 H 2.900 0.020 2 951 90 101 TYR HB3 H 2.736 0.020 2 952 90 101 TYR HD1 H 7.060 0.020 1 953 90 101 TYR HD2 H 7.060 0.020 1 954 90 101 TYR HE1 H 6.695 0.020 1 955 90 101 TYR HE2 H 6.695 0.020 1 956 90 101 TYR C C 175.043 0.3 1 957 90 101 TYR CA C 58.972 0.3 1 958 90 101 TYR CB C 37.626 0.3 1 959 90 101 TYR CD2 C 133.034 0.3 1 960 90 101 TYR CE2 C 117.814 0.3 1 961 90 101 TYR N N 122.348 0.3 1 962 91 102 GLY H H 7.820 0.020 1 963 91 102 GLY HA2 H 3.873 0.020 2 964 91 102 GLY HA3 H 3.649 0.020 2 965 91 102 GLY C C 170.874 0.3 1 966 91 102 GLY CA C 44.734 0.3 1 967 91 102 GLY N N 111.349 0.3 1 968 92 103 ILE H H 8.032 0.020 1 969 92 103 ILE HA H 3.878 0.020 1 970 92 103 ILE HB H 1.586 0.020 1 971 92 103 ILE HG12 H 1.117 0.020 2 972 92 103 ILE HG13 H 0.905 0.020 2 973 92 103 ILE HG2 H 0.509 0.020 1 974 92 103 ILE HD1 H 0.311 0.020 1 975 92 103 ILE C C 173.956 0.3 1 976 92 103 ILE CA C 60.127 0.3 1 977 92 103 ILE CB C 38.442 0.3 1 978 92 103 ILE CG1 C 27.208 0.3 1 979 92 103 ILE CG2 C 17.695 0.3 1 980 92 103 ILE CD1 C 12.196 0.3 1 981 92 103 ILE N N 121.703 0.3 1 982 93 104 ASN H H 8.423 0.020 1 983 93 104 ASN HA H 4.914 0.020 1 984 93 104 ASN HB2 H 2.711 0.020 1 985 93 104 ASN HB3 H 2.711 0.020 1 986 93 104 ASN HD21 H 7.526 0.020 1 987 93 104 ASN HD22 H 6.678 0.020 1 988 93 104 ASN C C 173.468 0.3 1 989 93 104 ASN CA C 51.442 0.3 1 990 93 104 ASN CB C 40.147 0.3 1 991 93 104 ASN N N 125.791 0.3 1 992 93 104 ASN ND2 N 114.059 0.3 1 993 94 105 ASP H H 8.710 0.020 1 994 94 105 ASP HA H 4.491 0.020 1 995 94 105 ASP HB2 H 2.571 0.020 1 996 94 105 ASP HB3 H 2.571 0.020 1 997 94 105 ASP CA C 59.118 0.3 1 998 94 105 ASP CB C 39.288 0.3 1 999 94 105 ASP N N 122.019 0.3 1 1000 95 106 PRO HA H 4.154 0.020 1 1001 95 106 PRO HB2 H 2.206 0.020 2 1002 95 106 PRO HB3 H 1.715 0.020 2 1003 95 106 PRO HG2 H 2.038 0.020 2 1004 95 106 PRO HG3 H 1.873 0.020 2 1005 95 106 PRO HD2 H 3.694 0.020 2 1006 95 106 PRO HD3 H 3.538 0.020 2 1007 95 106 PRO CA C 66.554 0.3 1 1008 95 106 PRO CB C 30.749 0.3 1 1009 95 106 PRO CG C 28.451 0.3 1 1010 95 106 PRO CD C 50.336 0.3 1 1011 96 107 GLU H H 7.954 0.020 1 1012 96 107 GLU HA H 3.861 0.020 1 1013 96 107 GLU HB2 H 2.061 0.020 2 1014 96 107 GLU HB3 H 1.705 0.020 2 1015 96 107 GLU HG2 H 2.239 0.020 2 1016 96 107 GLU HG3 H 2.110 0.020 2 1017 96 107 GLU C C 177.730 0.3 1 1018 96 107 GLU CA C 59.882 0.3 1 1019 96 107 GLU CB C 28.838 0.3 1 1020 96 107 GLU CG C 37.729 0.3 1 1021 96 107 GLU N N 117.965 0.3 1 1022 97 108 LEU H H 7.825 0.020 1 1023 97 108 LEU HA H 4.109 0.020 1 1024 97 108 LEU HB2 H 1.953 0.020 1 1025 97 108 LEU HB3 H 1.953 0.020 1 1026 97 108 LEU HG H 1.455 0.020 1 1027 97 108 LEU HD1 H 0.837 0.020 1 1028 97 108 LEU HD2 H 0.727 0.020 1 1029 97 108 LEU C C 177.211 0.3 1 1030 97 108 LEU CA C 58.051 0.3 1 1031 97 108 LEU CB C 41.771 0.3 1 1032 97 108 LEU CG C 27.305 0.3 1 1033 97 108 LEU CD1 C 24.436 0.3 1 1034 97 108 LEU CD2 C 25.658 0.3 1 1035 97 108 LEU N N 124.427 0.3 1 1036 98 109 GLN H H 8.481 0.020 1 1037 98 109 GLN HA H 3.990 0.020 1 1038 98 109 GLN HB2 H 1.961 0.020 1 1039 98 109 GLN HB3 H 1.961 0.020 1 1040 98 109 GLN HG2 H 2.420 0.020 2 1041 98 109 GLN HG3 H 2.340 0.020 2 1042 98 109 GLN HE21 H 7.608 0.020 1 1043 98 109 GLN HE22 H 6.696 0.020 1 1044 98 109 GLN C C 177.762 0.3 1 1045 98 109 GLN CA C 58.623 0.3 1 1046 98 109 GLN CB C 28.001 0.3 1 1047 98 109 GLN CG C 33.885 0.3 1 1048 98 109 GLN N N 117.195 0.3 1 1049 98 109 GLN NE2 N 112.465 0.3 1 1050 99 110 ARG H H 7.836 0.020 1 1051 99 110 ARG HA H 3.922 0.020 1 1052 99 110 ARG HB2 H 1.813 0.020 1 1053 99 110 ARG HB3 H 1.813 0.020 1 1054 99 110 ARG HG2 H 1.630 0.020 2 1055 99 110 ARG HG3 H 1.517 0.020 2 1056 99 110 ARG HD2 H 3.149 0.020 1 1057 99 110 ARG HD3 H 3.149 0.020 1 1058 99 110 ARG C C 176.055 0.3 1 1059 99 110 ARG CA C 59.613 0.3 1 1060 99 110 ARG CB C 30.322 0.3 1 1061 99 110 ARG CG C 27.608 0.3 1 1062 99 110 ARG CD C 43.592 0.3 1 1063 99 110 ARG N N 119.687 0.3 1 1064 100 111 TRP H H 7.731 0.020 1 1065 100 111 TRP HA H 4.229 0.020 1 1066 100 111 TRP HB2 H 3.596 0.020 2 1067 100 111 TRP HB3 H 3.079 0.020 2 1068 100 111 TRP HD1 H 6.854 0.020 1 1069 100 111 TRP HE1 H 10.138 0.020 1 1070 100 111 TRP HE3 H 7.500 0.020 1 1071 100 111 TRP HZ2 H 7.277 0.020 1 1072 100 111 TRP HZ3 H 6.765 0.020 1 1073 100 111 TRP HH2 H 6.950 0.020 1 1074 100 111 TRP C C 176.004 0.3 1 1075 100 111 TRP CA C 62.005 0.3 1 1076 100 111 TRP CB C 28.948 0.3 1 1077 100 111 TRP CD1 C 125.182 0.3 1 1078 100 111 TRP CE3 C 121.412 0.3 1 1079 100 111 TRP CZ2 C 114.521 0.3 1 1080 100 111 TRP CZ3 C 123.962 0.3 1 1081 100 111 TRP CH2 C 120.712 0.3 1 1082 100 111 TRP N N 119.762 0.3 1 1083 100 111 TRP NE1 N 132.753 0.3 1 1084 101 112 GLN H H 8.277 0.020 1 1085 101 112 GLN HA H 3.485 0.020 1 1086 101 112 GLN HB2 H 2.149 0.020 2 1087 101 112 GLN HB3 H 1.915 0.020 2 1088 101 112 GLN HG2 H 2.557 0.020 2 1089 101 112 GLN HG3 H 2.359 0.020 2 1090 101 112 GLN HE21 H 7.097 0.020 1 1091 101 112 GLN HE22 H 6.681 0.020 1 1092 101 112 GLN C C 177.498 0.3 1 1093 101 112 GLN CA C 59.164 0.3 1 1094 101 112 GLN CB C 28.082 0.3 1 1095 101 112 GLN CG C 33.813 0.3 1 1096 101 112 GLN N N 115.464 0.3 1 1097 101 112 GLN NE2 N 109.631 0.3 1 1098 102 113 LYS H H 8.047 0.020 1 1099 102 113 LYS HA H 3.912 0.020 1 1100 102 113 LYS HB2 H 1.908 0.020 2 1101 102 113 LYS HB3 H 1.815 0.020 2 1102 102 113 LYS HG2 H 1.470 0.020 2 1103 102 113 LYS HG3 H 1.347 0.020 2 1104 102 113 LYS HD2 H 1.529 0.020 1 1105 102 113 LYS HD3 H 1.529 0.020 1 1106 102 113 LYS HE2 H 2.811 0.020 1 1107 102 113 LYS HE3 H 2.811 0.020 1 1108 102 113 LYS C C 178.364 0.3 1 1109 102 113 LYS CA C 59.179 0.3 1 1110 102 113 LYS CB C 31.825 0.3 1 1111 102 113 LYS CG C 25.335 0.3 1 1112 102 113 LYS CD C 28.723 0.3 1 1113 102 113 LYS CE C 41.894 0.3 1 1114 102 113 LYS N N 119.856 0.3 1 1115 103 114 THR H H 8.816 0.020 1 1116 103 114 THR HA H 3.658 0.020 1 1117 103 114 THR HB H 4.316 0.020 1 1118 103 114 THR HG2 H 1.125 0.020 1 1119 103 114 THR C C 174.266 0.3 1 1120 103 114 THR CA C 66.206 0.3 1 1121 103 114 THR CB C 67.515 0.3 1 1122 103 114 THR CG2 C 22.719 0.3 1 1123 103 114 THR N N 121.217 0.3 1 1124 104 115 LYS H H 8.258 0.020 1 1125 104 115 LYS HA H 3.051 0.020 1 1126 104 115 LYS HB2 H 1.280 0.020 1 1127 104 115 LYS HB3 H 1.280 0.020 1 1128 104 115 LYS HG2 H 0.257 0.020 2 1129 104 115 LYS HG3 H 0.150 0.020 2 1130 104 115 LYS HD2 H 0.391 0.020 2 1131 104 115 LYS HD3 H 0.312 0.020 2 1132 104 115 LYS HE2 H 0.500 0.020 1 1133 104 115 LYS HE3 H 0.500 0.020 1 1134 104 115 LYS C C 176.952 0.3 1 1135 104 115 LYS CA C 60.520 0.3 1 1136 104 115 LYS CB C 30.340 0.3 1 1137 104 115 LYS CG C 23.056 0.3 1 1138 104 115 LYS CD C 29.569 0.3 1 1139 104 115 LYS CE C 39.962 0.3 1 1140 104 115 LYS N N 122.265 0.3 1 1141 105 116 GLU H H 7.963 0.020 1 1142 105 116 GLU HA H 3.598 0.020 1 1143 105 116 GLU HB2 H 1.922 0.020 1 1144 105 116 GLU HB3 H 1.922 0.020 1 1145 105 116 GLU HG2 H 2.216 0.020 2 1146 105 116 GLU HG3 H 1.955 0.020 2 1147 105 116 GLU C C 178.038 0.3 1 1148 105 116 GLU CA C 59.518 0.3 1 1149 105 116 GLU CB C 29.032 0.3 1 1150 105 116 GLU CG C 36.235 0.3 1 1151 105 116 GLU N N 118.912 0.3 1 1152 106 117 ARG H H 7.940 0.020 1 1153 106 117 ARG HA H 3.696 0.020 1 1154 106 117 ARG HB2 H 1.844 0.020 2 1155 106 117 ARG HB3 H 1.746 0.020 2 1156 106 117 ARG HG2 H 1.741 0.020 2 1157 106 117 ARG HG3 H 1.439 0.020 2 1158 106 117 ARG HD2 H 3.134 0.020 2 1159 106 117 ARG HD3 H 3.053 0.020 2 1160 106 117 ARG C C 177.744 0.3 1 1161 106 117 ARG CA C 59.994 0.3 1 1162 106 117 ARG CB C 30.788 0.3 1 1163 106 117 ARG CG C 28.113 0.3 1 1164 106 117 ARG CD C 43.793 0.3 1 1165 106 117 ARG N N 120.201 0.3 1 1166 107 118 LEU H H 8.242 0.020 1 1167 107 118 LEU HA H 3.745 0.020 1 1168 107 118 LEU HB2 H 1.724 0.020 2 1169 107 118 LEU HB3 H 1.462 0.020 2 1170 107 118 LEU HG H 0.788 0.020 1 1171 107 118 LEU HD1 H 0.228 0.020 1 1172 107 118 LEU HD2 H 0.342 0.020 1 1173 107 118 LEU C C 176.173 0.3 1 1174 107 118 LEU CA C 57.437 0.3 1 1175 107 118 LEU CB C 40.869 0.3 1 1176 107 118 LEU CD1 C 22.827 0.3 1 1177 107 118 LEU CD2 C 26.633 0.3 1 1178 107 118 LEU N N 120.982 0.3 1 1179 108 119 PHE H H 8.772 0.020 1 1180 108 119 PHE HA H 4.002 0.020 1 1181 108 119 PHE HB2 H 2.945 0.020 2 1182 108 119 PHE HB3 H 2.899 0.020 2 1183 108 119 PHE HD1 H 7.241 0.020 1 1184 108 119 PHE HD2 H 7.241 0.020 1 1185 108 119 PHE HE1 H 6.825 0.020 1 1186 108 119 PHE HE2 H 6.825 0.020 1 1187 108 119 PHE HZ H 6.797 0.020 1 1188 108 119 PHE C C 177.654 0.3 1 1189 108 119 PHE CA C 61.189 0.3 1 1190 108 119 PHE CB C 36.785 0.3 1 1191 108 119 PHE CD2 C 131.174 0.3 1 1192 108 119 PHE CE2 C 130.895 0.3 1 1193 108 119 PHE CZ C 128.707 0.3 1 1194 108 119 PHE N N 117.793 0.3 1 1195 109 120 ARG H H 7.865 0.020 1 1196 109 120 ARG HA H 4.006 0.020 1 1197 109 120 ARG HB2 H 1.796 0.020 2 1198 109 120 ARG HB3 H 1.680 0.020 2 1199 109 120 ARG HG2 H 1.693 0.020 2 1200 109 120 ARG HG3 H 1.467 0.020 2 1201 109 120 ARG HD2 H 3.073 0.020 2 1202 109 120 ARG HD3 H 3.033 0.020 2 1203 109 120 ARG C C 177.785 0.3 1 1204 109 120 ARG CA C 59.342 0.3 1 1205 109 120 ARG CB C 29.798 0.3 1 1206 109 120 ARG CG C 27.953 0.3 1 1207 109 120 ARG CD C 43.328 0.3 1 1208 109 120 ARG CZ C 128.096 0.3 1 1209 109 120 ARG N N 121.726 0.3 1 1210 110 121 LEU H H 7.338 0.020 1 1211 110 121 LEU HA H 4.094 0.020 1 1212 110 121 LEU HB2 H 1.484 0.020 2 1213 110 121 LEU HB3 H 1.374 0.020 2 1214 110 121 LEU HG H 1.407 0.020 1 1215 110 121 LEU HD1 H 0.718 0.020 1 1216 110 121 LEU HD2 H 0.560 0.020 1 1217 110 121 LEU C C 178.537 0.3 1 1218 110 121 LEU CA C 57.841 0.3 1 1219 110 121 LEU CB C 40.821 0.3 1 1220 110 121 LEU CG C 27.383 0.3 1 1221 110 121 LEU CD1 C 24.781 0.3 1 1222 110 121 LEU CD2 C 25.068 0.3 1 1223 110 121 LEU N N 121.486 0.3 1 1224 111 122 PHE H H 7.584 0.020 1 1225 111 122 PHE HA H 4.316 0.020 1 1226 111 122 PHE HB2 H 2.852 0.020 2 1227 111 122 PHE HB3 H 2.724 0.020 2 1228 111 122 PHE HD1 H 6.437 0.020 1 1229 111 122 PHE HD2 H 6.437 0.020 1 1230 111 122 PHE HE1 H 6.517 0.020 1 1231 111 122 PHE HE2 H 6.517 0.020 1 1232 111 122 PHE HZ H 6.649 0.020 1 1233 111 122 PHE C C 175.369 0.3 1 1234 111 122 PHE CA C 59.079 0.3 1 1235 111 122 PHE CB C 38.511 0.3 1 1236 111 122 PHE CD1 C 130.221 0.3 1 1237 111 122 PHE CE1 C 130.526 0.3 1 1238 111 122 PHE CZ C 128.096 0.3 1 1239 111 122 PHE N N 115.883 0.3 1 1240 112 123 SER H H 7.554 0.020 1 1241 112 123 SER HA H 4.329 0.020 1 1242 112 123 SER HB2 H 3.866 0.020 1 1243 112 123 SER HB3 H 3.866 0.020 1 1244 112 123 SER C C 173.353 0.3 1 1245 112 123 SER CA C 59.050 0.3 1 1246 112 123 SER CB C 63.841 0.3 1 1247 112 123 SER N N 111.693 0.3 1 1248 113 124 GLY H H 7.781 0.020 1 1249 113 124 GLY HA2 H 4.001 0.020 2 1250 113 124 GLY HA3 H 3.849 0.020 2 1251 113 124 GLY C C 173.407 0.3 1 1252 113 124 GLY CA C 45.374 0.3 1 1253 113 124 GLY N N 109.665 0.3 1 1254 114 125 GLU H H 8.414 0.020 1 1255 114 125 GLU HA H 4.002 0.020 1 1256 114 125 GLU HB2 H 1.799 0.020 1 1257 114 125 GLU HB3 H 1.799 0.020 1 1258 114 125 GLU HG2 H 2.032 0.020 1 1259 114 125 GLU HG3 H 2.032 0.020 1 1260 114 125 GLU C C 175.971 0.3 1 1261 114 125 GLU CA C 58.310 0.3 1 1262 114 125 GLU CB C 30.164 0.3 1 1263 114 125 GLU CG C 36.126 0.3 1 1264 114 125 GLU N N 121.028 0.3 1 1265 115 126 TYR H H 7.939 0.020 1 1266 115 126 TYR HA H 4.312 0.020 1 1267 115 126 TYR HB2 H 2.958 0.020 1 1268 115 126 TYR HB3 H 2.958 0.020 1 1269 115 126 TYR HD1 H 6.948 0.020 1 1270 115 126 TYR HD2 H 6.948 0.020 1 1271 115 126 TYR HE1 H 6.589 0.020 1 1272 115 126 TYR HE2 H 6.589 0.020 1 1273 115 126 TYR C C 175.248 0.3 1 1274 115 126 TYR CA C 59.734 0.3 1 1275 115 126 TYR CB C 38.371 0.3 1 1276 115 126 TYR CD1 C 132.795 0.3 1 1277 115 126 TYR CE1 C 117.771 0.3 1 1278 115 126 TYR N N 118.828 0.3 1 1279 116 127 ILE H H 7.892 0.020 1 1280 116 127 ILE HA H 3.743 0.020 1 1281 116 127 ILE HB H 1.803 0.020 1 1282 116 127 ILE HG12 H 1.353 0.020 2 1283 116 127 ILE HG13 H 1.150 0.020 2 1284 116 127 ILE HG2 H 0.767 0.020 1 1285 116 127 ILE HD1 H 0.666 0.020 1 1286 116 127 ILE C C 175.591 0.3 1 1287 116 127 ILE CA C 62.136 0.3 1 1288 116 127 ILE CB C 37.227 0.3 1 1289 116 127 ILE CG1 C 28.490 0.3 1 1290 116 127 ILE CG2 C 17.925 0.3 1 1291 116 127 ILE CD1 C 12.466 0.3 1 1292 116 127 ILE N N 120.412 0.3 1 1293 117 128 SER H H 8.127 0.020 1 1294 117 128 SER HA H 4.141 0.020 1 1295 117 128 SER HB2 H 3.781 0.020 2 1296 117 128 SER HB3 H 3.719 0.020 2 1297 117 128 SER C C 174.795 0.3 1 1298 117 128 SER CA C 60.437 0.3 1 1299 117 128 SER CB C 62.987 0.3 1 1300 117 128 SER N N 117.142 0.3 1 1301 118 129 THR H H 7.872 0.020 1 1302 118 129 THR HA H 3.987 0.020 1 1303 118 129 THR HB H 4.129 0.020 1 1304 118 129 THR HG2 H 1.073 0.020 1 1305 118 129 THR C C 174.025 0.3 1 1306 118 129 THR CA C 64.026 0.3 1 1307 118 129 THR CB C 68.953 0.3 1 1308 118 129 THR CG2 C 21.656 0.3 1 1309 118 129 THR N N 115.779 0.3 1 1310 119 130 LEU H H 7.679 0.020 1 1311 119 130 LEU HA H 4.048 0.020 1 1312 119 130 LEU HB2 H 1.496 0.020 2 1313 119 130 LEU HB3 H 1.424 0.020 2 1314 119 130 LEU HG H 1.444 0.020 1 1315 119 130 LEU HD1 H 0.681 0.020 1 1316 119 130 LEU HD2 H 0.635 0.020 1 1317 119 130 LEU C C 176.246 0.3 1 1318 119 130 LEU CA C 56.081 0.3 1 1319 119 130 LEU CB C 42.205 0.3 1 1320 119 130 LEU CG C 26.754 0.3 1 1321 119 130 LEU CD1 C 24.975 0.3 1 1322 119 130 LEU CD2 C 23.939 0.3 1 1323 119 130 LEU N N 122.845 0.3 1 1324 120 131 MET H H 7.812 0.020 1 1325 120 131 MET HA H 4.243 0.020 1 1326 120 131 MET HB2 H 1.962 0.020 2 1327 120 131 MET HB3 H 1.898 0.020 2 1328 120 131 MET HG2 H 2.500 0.020 2 1329 120 131 MET HG3 H 2.407 0.020 2 1330 120 131 MET HE H 1.914 0.020 1 1331 120 131 MET C C 174.594 0.3 1 1332 120 131 MET CA C 55.470 0.3 1 1333 120 131 MET CB C 32.606 0.3 1 1334 120 131 MET CG C 32.162 0.3 1 1335 120 131 MET CE C 16.961 0.3 1 1336 120 131 MET N N 117.447 0.3 1 1337 121 132 LYS H H 7.790 0.020 1 1338 121 132 LYS HA H 4.235 0.020 1 1339 121 132 LYS HB2 H 1.769 0.020 2 1340 121 132 LYS HB3 H 1.674 0.020 2 1341 121 132 LYS HG2 H 1.352 0.020 2 1342 121 132 LYS HG3 H 1.306 0.020 2 1343 121 132 LYS HD2 H 1.540 0.020 1 1344 121 132 LYS HD3 H 1.540 0.020 1 1345 121 132 LYS HE2 H 2.849 0.020 1 1346 121 132 LYS HE3 H 2.849 0.020 1 1347 121 132 LYS C C 174.539 0.3 1 1348 121 132 LYS CA C 56.481 0.3 1 1349 121 132 LYS CB C 32.966 0.3 1 1350 121 132 LYS CG C 24.658 0.3 1 1351 121 132 LYS CD C 28.971 0.3 1 1352 121 132 LYS CE C 41.857 0.3 1 1353 121 132 LYS N N 121.578 0.3 1 1354 122 133 THR H H 7.619 0.020 1 1355 122 133 THR HA H 4.008 0.020 1 1356 122 133 THR HB H 4.107 0.020 1 1357 122 133 THR HG2 H 1.035 0.020 1 1358 122 133 THR C C 177.878 0.3 1 1359 122 133 THR CA C 63.269 0.3 1 1360 122 133 THR CB C 70.651 0.3 1 1361 122 133 THR CG2 C 21.957 0.3 1 1362 122 133 THR N N 120.497 0.3 1 stop_ save_