data_19991 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; NMR assignement of salt stabilised Yeast Frataxin YFH1. ; _BMRB_accession_number 19991 _BMRB_flat_file_name bmr19991.str _Entry_type original _Submission_date 2014-05-28 _Accession_date 2014-05-28 _Entry_origination author _NMR_STAR_version 2.1.1 _Experimental_method NMR _Details 'Chemical Shift assignment of yeast frataxin stabilised by NaCl.' loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Vilanova Bartolome . . 2 Sanfelice Domenico . . 3 Martorell Gabriel . . 4 Pastore Annalisa . . 5 Temussi Piero A. . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 610 "13C chemical shifts" 486 "15N chemical shifts" 110 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2015-10-22 original BMRB . stop_ loop_ _Related_BMRB_accession_number _Relationship 17068 . 17641 . 6356 . stop_ _Original_release_date 2015-10-22 save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full . _Citation_title ; Trapping a salt-dependent unfolding intermediate of the marginally stable protein Yfh1 ; _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 25988154 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Vilanova Bartolome . . 2 Sanfelice Domenico . . 3 Martorell Gabriel . . 4 Temussi Piero A. . 5 Pastore Annalisa . . stop_ _Journal_abbreviation 'Front. Mol. Biosci.' _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 'iron-sulphur cluster' _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label 'yeast frataxin' $Yeast_Frataxin_Yfh1 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_Yeast_Frataxin_Yfh1 _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common Yeast_Frataxin_Yfh1 _Molecular_mass 13783.4 _Mol_thiol_state 'all free' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 123 _Mol_residue_sequence ; MESSTDGQVVPQEVLNLPLE KYHEEADDYLDHLLDSLEEL SEAHPDCIPDVELSHGVMTL EIPAFGTYVINKQPPNKQIW LASPLSGPNRFDLLNGEWVS LRNGTKLTDILTEEVEKAIS KSQ ; loop_ _Residue_seq_code _Residue_author_seq_code _Residue_label 1 1 MET 2 2 GLU 3 3 SER 4 4 SER 5 5 THR 6 6 ASP 7 7 GLY 8 8 GLN 9 9 VAL 10 10 VAL 11 11 PRO 12 12 GLN 13 13 GLU 14 14 VAL 15 15 LEU 16 16 ASN 17 17 LEU 18 18 PRO 19 19 LEU 20 20 GLU 21 21 LYS 22 22 TYR 23 23 HIS 24 24 GLU 25 25 GLU 26 26 ALA 27 27 ASP 28 28 ASP 29 29 TYR 30 30 LEU 31 31 ASP 32 32 HIS 33 33 LEU 34 34 LEU 35 35 ASP 36 36 SER 37 37 LEU 38 38 GLU 39 39 GLU 40 40 LEU 41 41 SER 42 42 GLU 43 43 ALA 44 44 HIS 45 45 PRO 46 46 ASP 47 47 CYS 48 48 ILE 49 49 PRO 50 50 ASP 51 51 VAL 52 52 GLU 53 53 LEU 54 54 SER 55 55 HIS 56 56 GLY 57 57 VAL 58 58 MET 59 59 THR 60 60 LEU 61 61 GLU 62 62 ILE 63 63 PRO 64 64 ALA 65 65 PHE 66 66 GLY 67 67 THR 68 68 TYR 69 69 VAL 70 70 ILE 71 71 ASN 72 72 LYS 73 73 GLN 74 74 PRO 75 75 PRO 76 76 ASN 77 77 LYS 78 78 GLN 79 79 ILE 80 80 TRP 81 81 LEU 82 82 ALA 83 83 SER 84 84 PRO 85 85 LEU 86 86 SER 87 87 GLY 88 88 PRO 89 89 ASN 90 90 ARG 91 91 PHE 92 92 ASP 93 93 LEU 94 94 LEU 95 95 ASN 96 96 GLY 97 97 GLU 98 98 TRP 99 99 VAL 100 100 SER 101 101 LEU 102 102 ARG 103 103 ASN 104 104 GLY 105 105 THR 106 106 LYS 107 107 LEU 108 108 THR 109 109 ASP 110 110 ILE 111 111 LEU 112 112 THR 113 113 GLU 114 114 GLU 115 115 VAL 116 116 GLU 117 117 LYS 118 118 ALA 119 119 ILE 120 120 SER 121 121 LYS 122 122 SER 123 123 GLN 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 17068 Yeast_frataxin_(Yfh1) 100.00 123 100.00 100.00 6.11e-83 BMRB 17641 Yfh1 100.00 123 100.00 100.00 6.11e-83 PDB 2FQL "Crystal Structure Of Trimeric Frataxin From The Yeast Saccharomyces Cerevisiae" 100.00 123 98.37 99.19 4.87e-81 PDB 2GA5 "Yeast Frataxin" 100.00 123 100.00 100.00 6.11e-83 PDB 3OEQ "Crystal Structure Of Trimeric Frataxin From The Yeast Saccharomyces Cerevisiae, With Full Length N-Terminus" 100.00 123 98.37 99.19 4.87e-81 PDB 3OER "Crystal Structure Of Trimeric Frataxin From The Yeast Saccharomyces Cerevisiae, Complexed With Cobalt" 100.00 123 98.37 99.19 4.87e-81 PDB 4EC2 "Crystal Structure Of Trimeric Frataxin From The Yeast Saccharomyces Cerevisiae, Complexed With Ferrous" 100.00 123 98.37 99.19 4.87e-81 DBJ GAA22128 "K7_Yfh1p [Saccharomyces cerevisiae Kyokai no. 7]" 100.00 174 99.19 100.00 4.26e-83 EMBL CAA98688 "YFH1 [Saccharomyces cerevisiae]" 100.00 174 99.19 100.00 4.26e-83 EMBL CAY78388 "Yfh1p [Saccharomyces cerevisiae EC1118]" 100.00 174 99.19 100.00 4.26e-83 GB AAS56486 "YDL120W [Saccharomyces cerevisiae]" 100.00 174 99.19 100.00 4.26e-83 GB AHY74893 "Yfh1p [Saccharomyces cerevisiae YJM993]" 100.00 174 99.19 100.00 4.26e-83 GB AJP37633 "Yfh1p [Saccharomyces cerevisiae YJM1078]" 100.00 174 99.19 100.00 4.26e-83 GB AJU57746 "Yfh1p [Saccharomyces cerevisiae YJM189]" 100.00 174 99.19 100.00 4.26e-83 GB AJU58449 "Yfh1p [Saccharomyces cerevisiae YJM193]" 100.00 174 99.19 100.00 4.26e-83 REF NP_010163 "ferroxidase [Saccharomyces cerevisiae S288c]" 100.00 174 99.19 100.00 4.26e-83 SP Q07540 "RecName: Full=Frataxin homolog, mitochondrial; Contains: RecName: Full=Frataxin homolog intermediate form; Flags: Precursor" 100.00 174 99.19 100.00 4.26e-83 TPG DAA11740 "TPA: ferroxidase [Saccharomyces cerevisiae S288c]" 100.00 174 99.19 100.00 4.26e-83 stop_ save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species $Yeast_Frataxin_Yfh1 'E. Coli' 562 Bacteria . Escherichia coli 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 $Yeast_Frataxin_Yfh1 'recombinant technology' . Escherichia coli . pet stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Saveframe_category sample _Sample_type solution _Details '1 mM Yfh1 20 mM HEPES, 100 mM NaCl, 2mM TCEP, pH 7.0' loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $Yeast_Frataxin_Yfh1 1 mM '[U-98% 13C; U-98% 15N]' HEPES 20 mM 'natural abundance' NaCl 100 mM 'natural abundance' TCEP 2 mM 'natural abundance' Yfh1 1 mM 'natural abundance' H2O 90 % 'natural abundance' D2O 10 % 'natural abundance' stop_ save_ ############################ # Computer software used # ############################ save_XEASY _Saveframe_category software _Name XEASY _Version . loop_ _Vendor _Address _Electronic_address 'Bartels et al.' . . stop_ loop_ _Task 'chemical shift assignment' stop_ _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model Avance _Field_strength 600 _Details . save_ save_spectrometer_2 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model Avance _Field_strength 700 _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 $sample_1 save_ save_2D_1H-13C_HSQC_2 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-13C HSQC' _Sample_label $sample_1 save_ save_3D_HNCO_3 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCO' _Sample_label $sample_1 save_ save_3D_HNCA_4 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCA' _Sample_label $sample_1 save_ save_3D_HNCACB_5 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCACB' _Sample_label $sample_1 save_ save_3D_CBCA(CO)NH_6 _Saveframe_category NMR_applied_experiment _Experiment_name '3D CBCA(CO)NH' _Sample_label $sample_1 save_ save_3D_1H-15N_NOESY_7 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-15N NOESY' _Sample_label $sample_1 save_ save_3D_1H-13C_NOESY_8 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-13C NOESY' _Sample_label $sample_1 save_ save_3D_HNHA_9 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNHA' _Sample_label $sample_1 save_ save_3D_HCCH-TOCSY_10 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HCCH-TOCSY' _Sample_label $sample_1 save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Saveframe_category sample_conditions _Details . loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units 'ionic strength' 0.1 . M pH 7 . pH pressure 1 . atm temperature 298.2 . 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 acetate C 13 protons ppm 4.7 internal direct . . . . water H 1 protons ppm 4.7 internal direct . . . 1 water N 15 protons ppm 4.7 internal direct . . . . 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_ _Software_label $XEASY stop_ loop_ _Experiment_label '3D HNCO' '3D HNCACB' '3D CBCA(CO)NH' '3D HCCH-TOCSY' stop_ loop_ _Sample_label $sample_1 stop_ _Sample_conditions_label $sample_conditions_1 _Chem_shift_reference_set_label $chemical_shift_reference_1 _Mol_system_component_name 'yeast frataxin' _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 1 MET CA C 56.439 0.03 1 2 1 1 MET CB C 29.750 0.03 1 3 2 2 GLU H H 8.494 0.02 1 4 2 2 GLU HA H 4.271 0.02 1 5 2 2 GLU HB2 H 2.137 0.02 1 6 2 2 GLU HB3 H 2.137 0.02 1 7 2 2 GLU HG2 H 2.387 0.02 1 8 2 2 GLU HG3 H 2.387 0.02 1 9 2 2 GLU C C 176.161 0.03 1 10 2 2 GLU CA C 56.587 0.03 1 11 2 2 GLU CB C 30.173 0.03 1 12 2 2 GLU CG C 36.057 0.03 1 13 2 2 GLU N N 123.372 0.03 1 14 3 3 SER H H 8.512 0.02 1 15 3 3 SER HA H 4.582 0.02 1 16 3 3 SER HB2 H 4.034 0.02 2 17 3 3 SER HB3 H 3.964 0.02 2 18 3 3 SER CA C 58.217 0.03 1 19 3 3 SER CB C 63.911 0.03 1 20 3 3 SER N N 118.451 0.03 1 21 4 4 SER H H 8.471 0.02 1 22 4 4 SER HA H 4.530 0.02 1 23 4 4 SER HB2 H 3.962 0.02 1 24 4 4 SER HB3 H 3.962 0.02 1 25 4 4 SER CA C 58.271 0.03 1 26 4 4 SER CB C 63.895 0.03 1 27 4 4 SER N N 119.213 0.03 1 28 5 5 THR H H 8.281 0.02 1 29 5 5 THR HA H 4.398 0.02 1 30 5 5 THR HB H 4.391 0.02 1 31 5 5 THR HG2 H 1.278 0.02 1 32 5 5 THR C C 174.657 0.03 1 33 5 5 THR CA C 61.911 0.03 1 34 5 5 THR CB C 69.538 0.03 1 35 5 5 THR CG2 C 21.551 0.03 1 36 5 5 THR N N 116.420 0.03 1 37 6 6 ASP H H 8.251 0.02 1 38 6 6 ASP HA H 4.570 0.02 1 39 6 6 ASP HB2 H 2.792 0.02 2 40 6 6 ASP HB3 H 2.760 0.02 2 41 6 6 ASP C C 176.791 0.03 1 42 6 6 ASP CA C 54.674 0.03 1 43 6 6 ASP CB C 41.079 0.03 1 44 6 6 ASP N N 123.732 0.03 1 45 7 7 GLY H H 8.325 0.02 1 46 7 7 GLY HA2 H 3.935 0.02 1 47 7 7 GLY HA3 H 3.935 0.02 1 48 7 7 GLY C C 174.200 0.03 1 49 7 7 GLY CA C 45.489 0.03 1 50 7 7 GLY N N 110.409 0.03 1 51 8 8 GLN H H 8.089 0.02 1 52 8 8 GLN HA H 4.364 0.02 1 53 8 8 GLN HB2 H 2.161 0.02 2 54 8 8 GLN HB3 H 2.083 0.02 2 55 8 8 GLN HG2 H 2.386 0.02 2 56 8 8 GLN HG3 H 2.388 0.02 2 57 8 8 GLN C C 175.841 0.03 1 58 8 8 GLN CA C 55.673 0.03 1 59 8 8 GLN CB C 29.484 0.03 1 60 8 8 GLN CG C 33.877 0.03 1 61 8 8 GLN N N 121.080 0.03 1 62 9 9 VAL H H 8.229 0.02 1 63 9 9 VAL HA H 4.117 0.02 1 64 9 9 VAL HB H 2.109 0.02 1 65 9 9 VAL HG1 H 1.024 0.02 2 66 9 9 VAL HG2 H 0.976 0.02 2 67 9 9 VAL C C 175.955 0.03 1 68 9 9 VAL CA C 62.351 0.03 1 69 9 9 VAL CB C 32.581 0.03 1 70 9 9 VAL CG1 C 21.182 0.03 1 71 9 9 VAL CG2 C 20.770 0.03 1 72 9 9 VAL N N 123.764 0.03 1 73 10 10 VAL H H 8.268 0.02 1 74 10 10 VAL HA H 4.392 0.02 1 75 10 10 VAL HB H 2.093 0.02 1 76 10 10 VAL HG1 H 1.077 0.02 2 77 10 10 VAL HG2 H 1.035 0.02 2 78 10 10 VAL C C 174.068 0.03 1 79 10 10 VAL CA C 59.885 0.03 1 80 10 10 VAL CB C 32.907 0.03 1 81 10 10 VAL CG1 C 21.144 0.03 1 82 10 10 VAL CG2 C 20.717 0.03 1 83 10 10 VAL N N 128.102 0.03 1 84 11 11 PRO HA H 4.476 0.02 1 85 11 11 PRO HB2 H 2.576 0.02 2 86 11 11 PRO HB3 H 2.021 0.02 2 87 11 11 PRO HG2 H 2.166 0.02 2 88 11 11 PRO HG3 H 2.126 0.02 2 89 11 11 PRO HD2 H 3.653 0.02 2 90 11 11 PRO HD3 H 4.126 0.02 2 91 11 11 PRO C C 177.505 0.03 1 92 11 11 PRO CA C 62.964 0.03 1 93 11 11 PRO CB C 32.592 0.03 1 94 11 11 PRO CG C 27.721 0.03 1 95 11 11 PRO CD C 51.312 0.03 1 96 12 12 GLN H H 8.812 0.02 1 97 12 12 GLN HA H 4.008 0.02 1 98 12 12 GLN HB2 H 2.174 0.02 1 99 12 12 GLN HB3 H 2.174 0.02 1 100 12 12 GLN HG2 H 2.526 0.02 1 101 12 12 GLN HG3 H 2.526 0.02 1 102 12 12 GLN C C 176.845 0.03 1 103 12 12 GLN CA C 58.083 0.03 1 104 12 12 GLN CB C 28.800 0.03 1 105 12 12 GLN CG C 33.760 0.03 1 106 12 12 GLN N N 124.505 0.03 1 107 13 13 GLU H H 9.110 0.02 1 108 13 13 GLU HA H 4.149 0.02 1 109 13 13 GLU HB2 H 2.106 0.02 1 110 13 13 GLU HB3 H 2.106 0.02 1 111 13 13 GLU HG2 H 2.411 0.02 1 112 13 13 GLU HG3 H 2.411 0.02 1 113 13 13 GLU C C 177.910 0.03 1 114 13 13 GLU CA C 58.632 0.03 1 115 13 13 GLU CB C 29.722 0.03 1 116 13 13 GLU CG C 36.712 0.03 1 117 13 13 GLU N N 119.703 0.03 1 118 14 14 VAL H H 7.610 0.02 1 119 14 14 VAL HA H 4.022 0.02 1 120 14 14 VAL HB H 2.211 0.02 1 121 14 14 VAL HG1 H 1.127 0.02 2 122 14 14 VAL HG2 H 1.097 0.02 2 123 14 14 VAL C C 177.555 0.03 1 124 14 14 VAL CA C 64.157 0.03 1 125 14 14 VAL CB C 32.254 0.03 1 126 14 14 VAL CG1 C 22.018 0.03 1 127 14 14 VAL CG2 C 21.387 0.03 1 128 14 14 VAL N N 121.260 0.03 1 129 15 15 LEU H H 7.845 0.02 1 130 15 15 LEU HA H 4.164 0.02 1 131 15 15 LEU HB2 H 1.794 0.02 2 132 15 15 LEU HB3 H 1.641 0.02 2 133 15 15 LEU HG H 1.669 0.02 1 134 15 15 LEU HD1 H 0.994 0.02 2 135 15 15 LEU HD2 H 0.959 0.02 2 136 15 15 LEU C C 178.330 0.03 1 137 15 15 LEU CA C 56.870 0.03 1 138 15 15 LEU CB C 41.950 0.03 1 139 15 15 LEU CG C 26.798 0.03 1 140 15 15 LEU CD1 C 25.008 0.03 1 141 15 15 LEU CD2 C 23.460 0.03 1 142 15 15 LEU N N 123.960 0.03 1 143 16 16 ASN H H 8.165 0.02 1 144 16 16 ASN HA H 4.642 0.02 1 145 16 16 ASN HB2 H 2.791 0.02 2 146 16 16 ASN HB3 H 2.995 0.02 2 147 16 16 ASN C C 174.790 0.03 1 148 16 16 ASN CA C 52.988 0.03 1 149 16 16 ASN CB C 38.699 0.03 1 150 16 16 ASN N N 116.724 0.03 1 151 17 17 LEU H H 7.492 0.02 1 152 17 17 LEU HA H 4.627 0.02 1 153 17 17 LEU HB2 H 2.066 0.02 1 154 17 17 LEU HB3 H 2.066 0.02 1 155 17 17 LEU HG H 1.812 0.02 1 156 17 17 LEU HD1 H 1.258 0.02 2 157 17 17 LEU HD2 H 1.076 0.02 2 158 17 17 LEU C C 174.104 0.03 1 159 17 17 LEU CA C 53.128 0.03 1 160 17 17 LEU CB C 43.043 0.03 1 161 17 17 LEU CG C 26.876 0.03 1 162 17 17 LEU CD1 C 26.945 0.03 1 163 17 17 LEU CD2 C 24.241 0.03 1 164 17 17 LEU N N 126.591 0.03 1 165 18 18 PRO HA H 4.589 0.02 1 166 18 18 PRO HB2 H 2.713 0.02 1 167 18 18 PRO HB3 H 2.713 0.02 1 168 18 18 PRO HG2 H 2.293 0.02 2 169 18 18 PRO HG3 H 2.181 0.02 2 170 18 18 PRO HD2 H 3.699 0.02 1 171 18 18 PRO HD3 H 3.699 0.02 1 172 18 18 PRO C C 178.115 0.03 1 173 18 18 PRO CA C 62.852 0.03 1 174 18 18 PRO CB C 32.904 0.03 1 175 18 18 PRO CG C 28.211 0.03 1 176 18 18 PRO CD C 51.496 0.03 1 177 19 19 LEU H H 9.030 0.02 1 178 19 19 LEU HA H 4.072 0.02 1 179 19 19 LEU HB2 H 2.008 0.02 2 180 19 19 LEU HB3 H 1.862 0.02 2 181 19 19 LEU HG H 1.947 0.02 1 182 19 19 LEU HD1 H 1.117 0.02 2 183 19 19 LEU HD2 H 1.064 0.02 2 184 19 19 LEU C C 178.075 0.03 1 185 19 19 LEU CA C 58.440 0.03 1 186 19 19 LEU CB C 42.164 0.03 1 187 19 19 LEU CG C 27.233 0.03 1 188 19 19 LEU CD1 C 25.231 0.03 1 189 19 19 LEU CD2 C 23.846 0.03 1 190 19 19 LEU N N 127.745 0.03 1 191 20 20 GLU H H 9.561 0.02 1 192 20 20 GLU HA H 4.318 0.02 1 193 20 20 GLU HB2 H 2.216 0.02 1 194 20 20 GLU HB3 H 2.216 0.02 1 195 20 20 GLU HG2 H 2.545 0.02 2 196 20 20 GLU HG3 H 2.522 0.02 2 197 20 20 GLU C C 179.041 0.03 1 198 20 20 GLU CA C 60.306 0.03 1 199 20 20 GLU CB C 28.631 0.03 1 200 20 20 GLU CG C 36.447 0.03 1 201 20 20 GLU N N 117.444 0.03 1 202 21 21 LYS H H 6.984 0.02 1 203 21 21 LYS HA H 4.395 0.02 1 204 21 21 LYS HB2 H 2.091 0.02 2 205 21 21 LYS HB3 H 2.129 0.02 2 206 21 21 LYS HG2 H 1.623 0.02 1 207 21 21 LYS HG3 H 1.623 0.02 1 208 21 21 LYS HD2 H 1.945 0.02 2 209 21 21 LYS HD3 H 1.831 0.02 2 210 21 21 LYS HE2 H 3.062 0.02 1 211 21 21 LYS HE3 H 3.062 0.02 1 212 21 21 LYS C C 177.705 0.03 1 213 21 21 LYS CA C 57.461 0.03 1 214 21 21 LYS CB C 32.122 0.03 1 215 21 21 LYS CG C 24.767 0.03 1 216 21 21 LYS CD C 28.350 0.03 1 217 21 21 LYS CE C 41.784 0.03 1 218 21 21 LYS N N 121.375 0.03 1 219 22 22 TYR H H 8.242 0.02 1 220 22 22 TYR HA H 4.059 0.02 1 221 22 22 TYR HB2 H 3.488 0.02 2 222 22 22 TYR HB3 H 3.109 0.02 2 223 22 22 TYR C C 175.787 0.03 1 224 22 22 TYR CA C 61.882 0.03 1 225 22 22 TYR CB C 36.361 0.03 1 226 22 22 TYR N N 120.440 0.03 1 227 23 23 HIS H H 8.326 0.02 1 228 23 23 HIS HA H 3.579 0.02 1 229 23 23 HIS HB2 H 3.166 0.02 2 230 23 23 HIS HB3 H 3.076 0.02 2 231 23 23 HIS C C 177.014 0.03 1 232 23 23 HIS CA C 61.666 0.03 1 233 23 23 HIS CB C 31.112 0.03 1 234 23 23 HIS N N 119.163 0.03 1 235 24 24 GLU H H 7.546 0.02 1 236 24 24 GLU HA H 4.081 0.02 1 237 24 24 GLU HB2 H 2.360 0.02 2 238 24 24 GLU HB3 H 2.299 0.02 2 239 24 24 GLU HG2 H 2.598 0.02 1 240 24 24 GLU HG3 H 2.598 0.02 1 241 24 24 GLU C C 179.659 0.03 1 242 24 24 GLU CA C 59.533 0.03 1 243 24 24 GLU CB C 30.096 0.03 1 244 24 24 GLU CG C 35.776 0.03 1 245 24 24 GLU N N 118.672 0.03 1 246 25 25 GLU H H 8.475 0.02 1 247 25 25 GLU HA H 4.301 0.02 1 248 25 25 GLU HB2 H 2.291 0.02 2 249 25 25 GLU HB3 H 2.422 0.02 2 250 25 25 GLU HG2 H 2.623 0.02 1 251 25 25 GLU HG3 H 2.623 0.02 1 252 25 25 GLU C C 180.073 0.03 1 253 25 25 GLU CA C 58.925 0.03 1 254 25 25 GLU CB C 29.746 0.03 1 255 25 25 GLU CG C 35.688 0.03 1 256 25 25 GLU N N 118.803 0.03 1 257 26 26 ALA H H 9.186 0.02 1 258 26 26 ALA HA H 3.897 0.02 1 259 26 26 ALA HB H 0.927 0.02 1 260 26 26 ALA C C 178.516 0.03 1 261 26 26 ALA CA C 55.392 0.03 1 262 26 26 ALA CB C 17.835 0.03 1 263 26 26 ALA N N 125.023 0.03 1 264 27 27 ASP H H 8.687 0.02 1 265 27 27 ASP HA H 4.267 0.02 1 266 27 27 ASP HB2 H 2.718 0.02 2 267 27 27 ASP HB3 H 2.893 0.02 2 268 27 27 ASP C C 179.211 0.03 1 269 27 27 ASP CA C 57.454 0.03 1 270 27 27 ASP CB C 38.910 0.03 1 271 27 27 ASP N N 119.507 0.03 1 272 28 28 ASP H H 7.932 0.02 1 273 28 28 ASP HA H 4.413 0.02 1 274 28 28 ASP HB2 H 2.874 0.02 2 275 28 28 ASP HB3 H 3.034 0.02 2 276 28 28 ASP C C 178.674 0.03 1 277 28 28 ASP CA C 57.653 0.03 1 278 28 28 ASP CB C 41.655 0.03 1 279 28 28 ASP N N 121.570 0.03 1 280 29 29 TYR H H 8.278 0.02 1 281 29 29 TYR HA H 4.197 0.02 1 282 29 29 TYR HB2 H 2.988 0.02 2 283 29 29 TYR HB3 H 3.565 0.02 2 284 29 29 TYR C C 176.624 0.03 1 285 29 29 TYR CA C 62.262 0.03 1 286 29 29 TYR CB C 38.600 0.03 1 287 29 29 TYR N N 122.306 0.03 1 288 30 30 LEU H H 8.598 0.02 1 289 30 30 LEU HA H 3.747 0.02 1 290 30 30 LEU HB2 H 2.069 0.02 1 291 30 30 LEU HB3 H 2.069 0.02 1 292 30 30 LEU HG H 1.955 0.02 1 293 30 30 LEU HD1 H 0.800 0.02 2 294 30 30 LEU HD2 H 0.786 0.02 2 295 30 30 LEU C C 178.225 0.03 1 296 30 30 LEU CA C 58.064 0.03 1 297 30 30 LEU CB C 40.793 0.03 1 298 30 30 LEU CG C 27.150 0.03 1 299 30 30 LEU CD1 C 25.428 0.03 1 300 30 30 LEU CD2 C 22.782 0.03 1 301 30 30 LEU N N 120.735 0.03 1 302 31 31 ASP H H 8.058 0.02 1 303 31 31 ASP HA H 4.216 0.02 1 304 31 31 ASP HB2 H 2.237 0.02 1 305 31 31 ASP HB3 H 2.237 0.02 1 306 31 31 ASP C C 179.045 0.03 1 307 31 31 ASP CA C 57.510 0.03 1 308 31 31 ASP CB C 40.773 0.03 1 309 31 31 ASP N N 120.882 0.03 1 310 32 32 HIS H H 7.727 0.02 1 311 32 32 HIS HA H 4.368 0.02 1 312 32 32 HIS HB2 H 3.327 0.02 1 313 32 32 HIS HB3 H 3.327 0.02 1 314 32 32 HIS C C 177.663 0.03 1 315 32 32 HIS CA C 58.975 0.03 1 316 32 32 HIS CB C 27.766 0.03 1 317 32 32 HIS N N 118.410 0.03 1 318 33 33 LEU H H 8.454 0.02 1 319 33 33 LEU HA H 3.937 0.02 1 320 33 33 LEU HB2 H 1.616 0.02 2 321 33 33 LEU HB3 H 1.135 0.02 2 322 33 33 LEU HG H 1.362 0.02 1 323 33 33 LEU HD1 H 0.783 0.02 2 324 33 33 LEU HD2 H 0.819 0.02 2 325 33 33 LEU C C 178.369 0.03 1 326 33 33 LEU CA C 57.464 0.03 1 327 33 33 LEU CB C 41.740 0.03 1 328 33 33 LEU CG C 26.650 0.03 1 329 33 33 LEU CD1 C 25.045 0.03 1 330 33 33 LEU CD2 C 22.496 0.03 1 331 33 33 LEU N N 125.128 0.03 1 332 34 34 LEU H H 8.482 0.02 1 333 34 34 LEU HA H 3.849 0.02 1 334 34 34 LEU HB2 H 2.187 0.02 2 335 34 34 LEU HB3 H 1.542 0.02 2 336 34 34 LEU HG H 1.638 0.02 1 337 34 34 LEU HD1 H 1.079 0.02 2 338 34 34 LEU HD2 H 0.948 0.02 2 339 34 34 LEU C C 177.996 0.03 1 340 34 34 LEU CA C 58.636 0.03 1 341 34 34 LEU CB C 41.100 0.03 1 342 34 34 LEU CG C 26.945 0.03 1 343 34 34 LEU CD1 C 26.000 0.03 1 344 34 34 LEU CD2 C 23.614 0.03 1 345 34 34 LEU N N 121.832 0.03 1 346 35 35 ASP H H 7.461 0.02 1 347 35 35 ASP HA H 4.332 0.02 1 348 35 35 ASP HB2 H 2.823 0.02 2 349 35 35 ASP HB3 H 2.887 0.02 2 350 35 35 ASP C C 179.223 0.03 1 351 35 35 ASP CA C 57.536 0.03 1 352 35 35 ASP CB C 40.157 0.03 1 353 35 35 ASP N N 118.885 0.03 1 354 36 36 SER H H 7.849 0.02 1 355 36 36 SER HA H 4.245 0.02 1 356 36 36 SER HB2 H 4.032 0.02 2 357 36 36 SER HB3 H 3.973 0.02 2 358 36 36 SER C C 179.232 0.03 1 359 36 36 SER CA C 61.682 0.03 1 360 36 36 SER CB C 62.849 0.03 1 361 36 36 SER N N 116.069 0.03 1 362 37 37 LEU H H 8.660 0.02 1 363 37 37 LEU HA H 4.131 0.02 1 364 37 37 LEU HB2 H 1.308 0.02 2 365 37 37 LEU HB3 H 2.085 0.02 2 366 37 37 LEU HG H 1.903 0.02 1 367 37 37 LEU HD1 H 0.802 0.02 2 368 37 37 LEU HD2 H 0.894 0.02 2 369 37 37 LEU C C 179.202 0.03 1 370 37 37 LEU CA C 57.485 0.03 1 371 37 37 LEU CB C 42.207 0.03 1 372 37 37 LEU CG C 27.072 0.03 1 373 37 37 LEU CD1 C 22.033 0.03 1 374 37 37 LEU CD2 C 27.658 0.03 1 375 37 37 LEU N N 124.385 0.03 1 376 38 38 GLU H H 9.252 0.02 1 377 38 38 GLU HA H 3.935 0.02 1 378 38 38 GLU HB2 H 2.296 0.02 1 379 38 38 GLU HB3 H 2.296 0.02 1 380 38 38 GLU HG2 H 2.366 0.02 2 381 38 38 GLU HG3 H 2.590 0.02 2 382 38 38 GLU C C 179.659 0.03 1 383 38 38 GLU CA C 59.769 0.03 1 384 38 38 GLU CB C 29.107 0.03 1 385 38 38 GLU CG C 35.927 0.03 1 386 38 38 GLU N N 122.646 0.03 1 387 39 39 GLU H H 7.579 0.02 1 388 39 39 GLU HA H 4.082 0.02 1 389 39 39 GLU HB2 H 2.290 0.02 1 390 39 39 GLU HB3 H 2.290 0.02 1 391 39 39 GLU HG2 H 2.365 0.02 1 392 39 39 GLU HG3 H 2.365 0.02 1 393 39 39 GLU C C 179.843 0.03 1 394 39 39 GLU CA C 59.574 0.03 1 395 39 39 GLU CB C 29.081 0.03 1 396 39 39 GLU CG C 35.835 0.03 1 397 39 39 GLU N N 120.847 0.03 1 398 40 40 LEU H H 7.537 0.02 1 399 40 40 LEU HA H 4.226 0.02 1 400 40 40 LEU HB2 H 2.050 0.02 1 401 40 40 LEU HB3 H 2.050 0.02 1 402 40 40 LEU HG H 1.897 0.02 1 403 40 40 LEU HD1 H 0.969 0.02 2 404 40 40 LEU HD2 H 0.972 0.02 2 405 40 40 LEU C C 178.628 0.03 1 406 40 40 LEU CA C 58.071 0.03 1 407 40 40 LEU CB C 42.578 0.03 1 408 40 40 LEU CG C 27.073 0.03 1 409 40 40 LEU CD1 C 25.278 0.03 1 410 40 40 LEU CD2 C 23.652 0.03 1 411 40 40 LEU N N 121.690 0.03 1 412 41 41 SER H H 8.576 0.02 1 413 41 41 SER HA H 4.236 0.02 1 414 41 41 SER HB2 H 4.067 0.02 1 415 41 41 SER HB3 H 4.067 0.02 1 416 41 41 SER C C 178.679 0.03 1 417 41 41 SER CA C 60.640 0.03 1 418 41 41 SER CB C 63.813 0.03 1 419 41 41 SER N N 115.512 0.03 1 420 42 42 GLU H H 7.910 0.02 1 421 42 42 GLU HA H 4.002 0.02 1 422 42 42 GLU HB2 H 2.165 0.02 1 423 42 42 GLU HB3 H 2.165 0.02 1 424 42 42 GLU HG2 H 2.629 0.02 2 425 42 42 GLU HG3 H 2.429 0.02 2 426 42 42 GLU C C 178.620 0.03 1 427 42 42 GLU CA C 58.677 0.03 1 428 42 42 GLU CB C 28.949 0.03 1 429 42 42 GLU CG C 35.631 0.03 1 430 42 42 GLU N N 118.557 0.03 1 431 43 43 ALA H H 7.299 0.02 1 432 43 43 ALA HA H 4.172 0.02 1 433 43 43 ALA HB H 1.351 0.02 1 434 43 43 ALA C C 177.833 0.03 1 435 43 43 ALA CA C 53.342 0.03 1 436 43 43 ALA CB C 19.512 0.03 1 437 43 43 ALA N N 119.702 0.03 1 438 44 44 HIS H H 7.966 0.02 1 439 44 44 HIS HA H 5.139 0.02 1 440 44 44 HIS HB2 H 3.221 0.02 1 441 44 44 HIS HB3 H 3.221 0.02 1 442 44 44 HIS C C 172.421 0.03 1 443 44 44 HIS CA C 52.441 0.03 1 444 44 44 HIS CB C 28.683 0.03 1 445 44 44 HIS N N 115.725 0.03 1 446 45 45 PRO HA H 4.545 0.02 1 447 45 45 PRO C C 177.686 0.03 1 448 45 45 PRO CA C 65.560 0.03 1 449 45 45 PRO CB C 31.413 0.03 1 450 45 45 PRO CG C 27.200 0.03 1 451 45 45 PRO CD C 50.345 0.03 1 452 46 46 ASP H H 8.729 0.02 1 453 46 46 ASP HA H 4.366 0.02 1 454 46 46 ASP HB2 H 2.842 0.02 2 455 46 46 ASP HB3 H 2.733 0.02 2 456 46 46 ASP C C 177.017 0.03 1 457 46 46 ASP CA C 54.889 0.03 1 458 46 46 ASP CB C 39.620 0.03 1 459 46 46 ASP N N 115.610 0.03 1 460 47 47 CYS H H 7.645 0.02 1 461 47 47 CYS HA H 4.447 0.02 1 462 47 47 CYS HB2 H 2.961 0.02 2 463 47 47 CYS HB3 H 2.708 0.02 2 464 47 47 CYS C C 174.305 0.03 1 465 47 47 CYS CA C 60.072 0.03 1 466 47 47 CYS CB C 29.084 0.03 1 467 47 47 CYS N N 118.885 0.03 1 468 48 48 ILE H H 7.653 0.02 1 469 48 48 ILE HA H 5.057 0.02 1 470 48 48 ILE HB H 1.850 0.02 1 471 48 48 ILE HG12 H 1.468 0.02 1 472 48 48 ILE HG13 H 1.468 0.02 1 473 48 48 ILE HG2 H 0.841 0.02 1 474 48 48 ILE HD1 H 0.837 0.02 1 475 48 48 ILE C C 172.375 0.03 1 476 48 48 ILE CA C 57.871 0.03 1 477 48 48 ILE CB C 39.599 0.03 1 478 48 48 ILE CG1 C 26.444 0.03 1 479 48 48 ILE CG2 C 18.288 0.03 1 480 48 48 ILE CD1 C 14.837 0.03 1 481 48 48 ILE N N 116.036 0.03 1 482 49 49 PRO HA H 4.670 0.02 1 483 49 49 PRO HB2 H 2.062 0.02 1 484 49 49 PRO HB3 H 2.062 0.02 1 485 49 49 PRO HG2 H 1.958 0.02 2 486 49 49 PRO HG3 H 2.005 0.02 2 487 49 49 PRO HD2 H 2.520 0.02 1 488 49 49 PRO HD3 H 2.520 0.02 1 489 49 49 PRO C C 176.787 0.03 1 490 49 49 PRO CA C 64.365 0.03 1 491 49 49 PRO CB C 32.480 0.03 1 492 49 49 PRO CG C 27.102 0.03 1 493 49 49 PRO CD C 50.524 0.03 1 494 50 50 ASP H H 6.831 0.02 1 495 50 50 ASP HA H 5.009 0.02 1 496 50 50 ASP HB2 H 1.818 0.02 1 497 50 50 ASP HB3 H 1.818 0.02 1 498 50 50 ASP C C 173.180 0.03 1 499 50 50 ASP CA C 54.156 0.03 1 500 50 50 ASP CB C 45.204 0.03 1 501 50 50 ASP N N 114.139 0.03 1 502 51 51 VAL H H 8.051 0.02 1 503 51 51 VAL HA H 4.916 0.02 1 504 51 51 VAL HB H 2.095 0.02 1 505 51 51 VAL HG1 H 0.973 0.02 2 506 51 51 VAL HG2 H 0.930 0.02 2 507 51 51 VAL C C 172.825 0.03 1 508 51 51 VAL CA C 60.485 0.03 1 509 51 51 VAL CB C 33.953 0.03 1 510 51 51 VAL CG1 C 21.494 0.03 1 511 51 51 VAL CG2 C 19.591 0.03 1 512 51 51 VAL N N 122.960 0.03 1 513 52 52 GLU H H 8.502 0.02 1 514 52 52 GLU HA H 4.155 0.02 1 515 52 52 GLU HB2 H 2.705 0.02 1 516 52 52 GLU HB3 H 2.705 0.02 1 517 52 52 GLU HG2 H 2.260 0.02 1 518 52 52 GLU HG3 H 2.260 0.02 1 519 52 52 GLU C C 173.268 0.03 1 520 52 52 GLU CA C 55.064 0.03 1 521 52 52 GLU CB C 30.927 0.03 1 522 52 52 GLU CG C 32.922 0.03 1 523 52 52 GLU N N 126.786 0.03 1 524 53 53 LEU H H 8.834 0.02 1 525 53 53 LEU HA H 5.194 0.02 1 526 53 53 LEU HB2 H 2.013 0.02 1 527 53 53 LEU HB3 H 2.013 0.02 1 528 53 53 LEU HG H 1.504 0.02 1 529 53 53 LEU HD1 H 0.936 0.02 2 530 53 53 LEU HD2 H 0.805 0.02 2 531 53 53 LEU C C 175.066 0.03 1 532 53 53 LEU CA C 54.084 0.03 1 533 53 53 LEU CB C 46.352 0.03 1 534 53 53 LEU CG C 27.959 0.03 1 535 53 53 LEU CD1 C 26.571 0.03 1 536 53 53 LEU CD2 C 23.367 0.03 1 537 53 53 LEU N N 127.123 0.03 1 538 54 54 SER H H 8.711 0.02 1 539 54 54 SER HA H 4.542 0.02 1 540 54 54 SER HB2 H 3.805 0.02 2 541 54 54 SER HB3 H 3.838 0.02 2 542 54 54 SER C C 174.900 0.03 1 543 54 54 SER CA C 57.152 0.03 1 544 54 54 SER CB C 64.389 0.03 1 545 54 54 SER N N 121.373 0.03 1 546 55 55 HIS CA C 56.940 0.03 1 547 55 55 HIS CB C 27.600 0.03 1 548 56 56 GLY H H 8.826 0.02 1 549 56 56 GLY HA2 H 3.597 0.02 2 550 56 56 GLY HA3 H 4.152 0.02 2 551 56 56 GLY C C 171.964 0.03 1 552 56 56 GLY CA C 46.376 0.03 1 553 56 56 GLY N N 105.904 0.03 1 554 57 57 VAL H H 7.756 0.02 1 555 57 57 VAL HA H 4.505 0.02 1 556 57 57 VAL HB H 2.313 0.02 1 557 57 57 VAL HG1 H 0.914 0.02 2 558 57 57 VAL HG2 H 1.046 0.02 2 559 57 57 VAL C C 174.978 0.03 1 560 57 57 VAL CA C 61.851 0.03 1 561 57 57 VAL CB C 33.611 0.03 1 562 57 57 VAL CG1 C 21.318 0.03 1 563 57 57 VAL CG2 C 21.131 0.03 1 564 57 57 VAL N N 119.946 0.03 1 565 58 58 MET H H 10.152 0.02 1 566 58 58 MET HA H 5.749 0.02 1 567 58 58 MET HB2 H 2.318 0.02 2 568 58 58 MET HB3 H 2.012 0.02 2 569 58 58 MET HG2 H 2.485 0.02 2 570 58 58 MET HG3 H 2.101 0.02 2 571 58 58 MET C C 174.537 0.03 1 572 58 58 MET CA C 53.164 0.03 1 573 58 58 MET CB C 36.123 0.03 1 574 58 58 MET CG C 31.503 0.03 1 575 58 58 MET N N 134.496 0.03 1 576 59 59 THR H H 8.962 0.02 1 577 59 59 THR HA H 5.182 0.02 1 578 59 59 THR HB H 4.044 0.02 1 579 59 59 THR HG2 H 1.246 0.02 1 580 59 59 THR C C 173.455 0.03 1 581 59 59 THR CA C 60.890 0.03 1 582 59 59 THR CB C 70.411 0.03 1 583 59 59 THR CG2 C 21.831 0.03 1 584 59 59 THR N N 123.509 0.03 1 585 60 60 LEU H H 8.832 0.02 1 586 60 60 LEU HA H 4.999 0.02 1 587 60 60 LEU HB2 H 1.479 0.02 1 588 60 60 LEU HB3 H 1.479 0.02 1 589 60 60 LEU HG H 1.637 0.02 1 590 60 60 LEU HD1 H 0.618 0.02 2 591 60 60 LEU HD2 H 0.855 0.02 2 592 60 60 LEU C C 173.767 0.03 1 593 60 60 LEU CA C 53.956 0.03 1 594 60 60 LEU CB C 45.217 0.03 1 595 60 60 LEU CG C 27.491 0.03 1 596 60 60 LEU CD1 C 26.067 0.03 1 597 60 60 LEU CD2 C 25.263 0.03 1 598 60 60 LEU N N 129.105 0.03 1 599 61 61 GLU H H 8.488 0.02 1 600 61 61 GLU HA H 4.935 0.02 1 601 61 61 GLU HB2 H 2.148 0.02 1 602 61 61 GLU HB3 H 2.148 0.02 1 603 61 61 GLU HG2 H 2.330 0.02 1 604 61 61 GLU HG3 H 2.330 0.02 1 605 61 61 GLU C C 174.477 0.03 1 606 61 61 GLU CA C 55.551 0.03 1 607 61 61 GLU CB C 30.982 0.03 1 608 61 61 GLU CG C 34.619 0.03 1 609 61 61 GLU N N 128.534 0.03 1 610 62 62 ILE H H 7.678 0.02 1 611 62 62 ILE HA H 5.194 0.02 1 612 62 62 ILE HB H 2.490 0.02 1 613 62 62 ILE HG12 H 1.674 0.02 2 614 62 62 ILE HG13 H 1.326 0.02 2 615 62 62 ILE HG2 H 0.942 0.02 1 616 62 62 ILE HD1 H 0.749 0.02 1 617 62 62 ILE C C 174.444 0.03 1 618 62 62 ILE CA C 58.045 0.03 1 619 62 62 ILE CB C 38.870 0.03 1 620 62 62 ILE CG1 C 26.881 0.03 1 621 62 62 ILE CG2 C 18.429 0.03 1 622 62 62 ILE CD1 C 13.100 0.03 1 623 62 62 ILE N N 123.146 0.03 1 624 63 63 PRO HA H 4.205 0.02 1 625 63 63 PRO HB2 H 2.503 0.02 2 626 63 63 PRO HB3 H 2.096 0.02 2 627 63 63 PRO HG2 H 2.190 0.02 1 628 63 63 PRO HG3 H 2.190 0.02 1 629 63 63 PRO C C 176.846 0.03 1 630 63 63 PRO CA C 66.190 0.03 1 631 63 63 PRO CB C 32.003 0.03 1 632 63 63 PRO CG C 26.933 0.03 1 633 63 63 PRO CD C 50.882 0.03 1 634 64 64 ALA H H 8.645 0.02 1 635 64 64 ALA HA H 4.040 0.02 1 636 64 64 ALA HB H 1.038 0.02 1 637 64 64 ALA C C 177.911 0.03 1 638 64 64 ALA CA C 54.827 0.03 1 639 64 64 ALA CB C 18.235 0.03 1 640 64 64 ALA N N 119.982 0.03 1 641 65 65 PHE H H 8.495 0.02 1 642 65 65 PHE HA H 5.191 0.02 1 643 65 65 PHE HB2 H 3.333 0.02 2 644 65 65 PHE HB3 H 3.215 0.02 2 645 65 65 PHE C C 175.138 0.03 1 646 65 65 PHE CA C 55.653 0.03 1 647 65 65 PHE CB C 42.408 0.03 1 648 65 65 PHE N N 114.259 0.03 1 649 66 66 GLY H H 9.261 0.02 1 650 66 66 GLY HA2 H 4.424 0.02 1 651 66 66 GLY HA3 H 4.424 0.02 1 652 66 66 GLY C C 171.170 0.03 1 653 66 66 GLY CA C 44.890 0.03 1 654 66 66 GLY N N 109.473 0.03 1 655 67 67 THR H H 8.437 0.02 1 656 67 67 THR HA H 4.820 0.02 1 657 67 67 THR HB H 3.898 0.02 1 658 67 67 THR HG2 H 1.250 0.02 1 659 67 67 THR C C 174.513 0.03 1 660 67 67 THR CA C 63.127 0.03 1 661 67 67 THR CB C 70.250 0.03 1 662 67 67 THR CG2 C 22.192 0.03 1 663 67 67 THR N N 120.244 0.03 1 664 68 68 TYR H H 9.767 0.02 1 665 68 68 TYR HA H 4.912 0.02 1 666 68 68 TYR HB2 H 2.557 0.02 1 667 68 68 TYR HB3 H 2.557 0.02 1 668 68 68 TYR C C 175.529 0.03 1 669 68 68 TYR CA C 57.752 0.03 1 670 68 68 TYR CB C 41.839 0.03 1 671 68 68 TYR N N 129.382 0.03 1 672 69 69 VAL H H 7.744 0.02 1 673 69 69 VAL HA H 5.105 0.02 1 674 69 69 VAL HB H 2.055 0.02 1 675 69 69 VAL HG1 H 1.016 0.02 2 676 69 69 VAL HG2 H 1.016 0.02 2 677 69 69 VAL C C 175.775 0.03 1 678 69 69 VAL CA C 61.616 0.03 1 679 69 69 VAL CB C 35.088 0.03 1 680 69 69 VAL CG1 C 21.067 0.03 1 681 69 69 VAL CG2 C 21.067 0.03 1 682 69 69 VAL N N 119.436 0.03 1 683 72 72 LYS H H 8.565 0.02 1 684 72 72 LYS HA H 4.485 0.02 1 685 72 72 LYS HB2 H 3.998 0.02 1 686 72 72 LYS HB3 H 3.998 0.02 1 687 72 72 LYS C C 176.460 0.03 1 688 72 72 LYS CA C 58.517 0.03 1 689 72 72 LYS CB C 33.045 0.03 1 690 72 72 LYS N N 122.273 0.03 1 691 73 73 GLN H H 7.918 0.02 1 692 73 73 GLN HA H 4.590 0.02 1 693 73 73 GLN C C 173.249 0.03 1 694 73 73 GLN CA C 51.670 0.03 1 695 73 73 GLN N N 124.369 0.03 1 696 74 74 PRO HA H 4.437 0.02 1 697 74 74 PRO HB2 H 2.370 0.02 1 698 74 74 PRO HB3 H 2.370 0.02 1 699 74 74 PRO HG2 H 2.113 0.02 2 700 74 74 PRO HG3 H 2.008 0.02 2 701 74 74 PRO HD2 H 3.900 0.02 2 702 74 74 PRO HD3 H 3.720 0.02 2 703 74 74 PRO CA C 63.200 0.03 1 704 74 74 PRO CB C 32.062 0.03 1 705 74 74 PRO CG C 27.524 0.03 1 706 74 74 PRO CD C 50.628 0.03 1 707 75 75 PRO HA H 4.313 0.02 1 708 75 75 PRO HB2 H 2.418 0.02 1 709 75 75 PRO HB3 H 2.418 0.02 1 710 75 75 PRO HG2 H 2.090 0.02 1 711 75 75 PRO HG3 H 2.090 0.02 1 712 75 75 PRO HD2 H 3.712 0.02 1 713 75 75 PRO HD3 H 3.712 0.02 1 714 75 75 PRO C C 176.646 0.03 1 715 75 75 PRO CA C 66.066 0.03 1 716 75 75 PRO CB C 30.824 0.03 1 717 75 75 PRO CG C 28.000 0.03 1 718 75 75 PRO CD C 50.478 0.03 1 719 76 76 ASN H H 6.944 0.02 1 720 76 76 ASN HA H 4.824 0.02 1 721 76 76 ASN HB2 H 3.179 0.02 2 722 76 76 ASN HB3 H 2.345 0.02 2 723 76 76 ASN C C 173.043 0.03 1 724 76 76 ASN CA C 52.593 0.03 1 725 76 76 ASN CB C 40.752 0.03 1 726 76 76 ASN N N 112.050 0.03 1 727 77 77 LYS H H 7.936 0.02 1 728 77 77 LYS HA H 4.989 0.02 1 729 77 77 LYS C C 174.037 0.03 1 730 77 77 LYS CA C 57.793 0.03 1 731 77 77 LYS CB C 28.789 0.03 1 732 77 77 LYS N N 117.706 0.03 1 733 78 78 GLN H H 6.662 0.02 1 734 78 78 GLN HA H 5.877 0.02 1 735 78 78 GLN HB2 H 2.332 0.02 2 736 78 78 GLN HB3 H 2.041 0.02 2 737 78 78 GLN HG2 H 2.643 0.02 2 738 78 78 GLN HG3 H 2.890 0.02 2 739 78 78 GLN C C 179.051 0.03 1 740 78 78 GLN CA C 53.815 0.03 1 741 78 78 GLN CB C 37.194 0.03 1 742 78 78 GLN CG C 33.749 0.03 1 743 78 78 GLN N N 111.319 0.03 1 744 79 79 ILE H H 9.109 0.02 1 745 79 79 ILE HA H 4.546 0.02 1 746 79 79 ILE HB H 1.130 0.02 1 747 79 79 ILE HG12 H 0.779 0.02 2 748 79 79 ILE HG13 H 0.271 0.02 2 749 79 79 ILE HG2 H 0.625 0.02 1 750 79 79 ILE HD1 H -0.541 0.02 1 751 79 79 ILE C C 174.561 0.03 1 752 79 79 ILE CA C 62.398 0.03 1 753 79 79 ILE CB C 40.466 0.03 1 754 79 79 ILE CG1 C 28.641 0.03 1 755 79 79 ILE CG2 C 18.365 0.03 1 756 79 79 ILE CD1 C 11.841 0.03 1 757 79 79 ILE N N 126.135 0.03 1 758 80 80 TRP H H 9.812 0.02 1 759 80 80 TRP HA H 5.764 0.02 1 760 80 80 TRP HB2 H 3.492 0.02 2 761 80 80 TRP HB3 H 3.636 0.02 2 762 80 80 TRP C C 173.359 0.03 1 763 80 80 TRP CA C 54.998 0.03 1 764 80 80 TRP CB C 31.112 0.03 1 765 80 80 TRP N N 131.903 0.03 1 766 81 81 LEU H H 8.808 0.02 1 767 81 81 LEU HA H 5.328 0.02 1 768 81 81 LEU HB2 H 1.648 0.02 2 769 81 81 LEU HB3 H 2.138 0.02 2 770 81 81 LEU HG H 1.166 0.02 1 771 81 81 LEU HD1 H 1.174 0.02 1 772 81 81 LEU HD2 H 1.174 0.02 1 773 81 81 LEU C C 174.561 0.03 1 774 81 81 LEU CA C 53.413 0.03 1 775 81 81 LEU CB C 48.553 0.03 1 776 81 81 LEU CG C 27.112 0.03 1 777 81 81 LEU CD1 C 24.667 0.03 1 778 81 81 LEU CD2 C 24.741 0.03 1 779 81 81 LEU N N 122.378 0.03 1 780 82 82 ALA H H 9.169 0.02 1 781 82 82 ALA HA H 4.312 0.02 1 782 82 82 ALA HB H 1.491 0.02 1 783 82 82 ALA C C 175.545 0.03 1 784 82 82 ALA CA C 51.899 0.03 1 785 82 82 ALA CB C 19.328 0.03 1 786 82 82 ALA N N 130.828 0.03 1 787 83 83 SER H H 7.179 0.02 1 788 83 83 SER HA H 4.833 0.02 1 789 83 83 SER HB2 H 4.203 0.02 1 790 83 83 SER HB3 H 4.203 0.02 1 791 83 83 SER C C 175.414 0.03 1 792 83 83 SER CA C 51.642 0.03 1 793 83 83 SER CB C 63.135 0.03 1 794 83 83 SER N N 117.773 0.03 1 795 84 84 PRO HA H 4.410 0.02 1 796 84 84 PRO HB2 H 2.407 0.02 2 797 84 84 PRO HB3 H 2.362 0.02 2 798 84 84 PRO HG2 H 2.068 0.02 2 799 84 84 PRO HG3 H 2.136 0.02 2 800 84 84 PRO HD2 H 3.992 0.02 2 801 84 84 PRO HD3 H 3.791 0.02 2 802 84 84 PRO C C 175.715 0.03 1 803 84 84 PRO CA C 63.308 0.03 1 804 84 84 PRO CB C 32.141 0.03 1 805 84 84 PRO CG C 27.400 0.03 1 806 84 84 PRO CD C 51.200 0.03 1 807 85 85 LEU H H 7.796 0.02 1 808 85 85 LEU HA H 4.335 0.02 1 809 85 85 LEU HB2 H 1.371 0.02 1 810 85 85 LEU HB3 H 1.371 0.02 1 811 85 85 LEU HG H 1.229 0.02 1 812 85 85 LEU HD1 H 0.275 0.02 2 813 85 85 LEU HD2 H 0.407 0.02 2 814 85 85 LEU C C 177.652 0.03 1 815 85 85 LEU CA C 55.988 0.03 1 816 85 85 LEU CB C 43.321 0.03 1 817 85 85 LEU CG C 26.886 0.03 1 818 85 85 LEU CD1 C 23.619 0.03 1 819 85 85 LEU CD2 C 22.634 0.03 1 820 85 85 LEU N N 120.904 0.03 1 821 86 86 SER H H 8.222 0.02 1 822 86 86 SER HA H 4.460 0.02 1 823 86 86 SER HB2 H 4.117 0.02 1 824 86 86 SER HB3 H 4.117 0.02 1 825 86 86 SER C C 177.470 0.03 1 826 86 86 SER CA C 57.263 0.03 1 827 86 86 SER CB C 63.243 0.03 1 828 86 86 SER N N 111.608 0.03 1 829 87 87 GLY H H 8.018 0.02 1 830 87 87 GLY HA2 H 4.404 0.02 1 831 87 87 GLY HA3 H 4.404 0.02 1 832 87 87 GLY C C 172.902 0.03 1 833 87 87 GLY CA C 45.053 0.03 1 834 87 87 GLY N N 114.319 0.03 1 835 88 88 PRO HA H 5.662 0.02 1 836 88 88 PRO C C 177.929 0.03 1 837 88 88 PRO CA C 61.867 0.03 1 838 88 88 PRO CB C 32.448 0.03 1 839 89 89 ASN H H 9.221 0.02 1 840 89 89 ASN HA H 4.638 0.02 1 841 89 89 ASN HB2 H 2.532 0.02 2 842 89 89 ASN HB3 H 2.756 0.02 2 843 89 89 ASN C C 172.938 0.03 1 844 89 89 ASN CA C 52.634 0.03 1 845 89 89 ASN CB C 43.516 0.03 1 846 89 89 ASN N N 121.577 0.03 1 847 90 90 ARG H H 8.532 0.02 1 848 90 90 ARG HA H 4.732 0.02 1 849 90 90 ARG C C 174.970 0.03 1 850 90 90 ARG CA C 55.648 0.03 1 851 90 90 ARG CB C 33.430 0.03 1 852 90 90 ARG N N 121.663 0.03 1 853 91 91 PHE H H 9.335 0.02 1 854 91 91 PHE HA H 4.789 0.02 1 855 91 91 PHE HB2 H 3.196 0.02 2 856 91 91 PHE HB3 H 3.422 0.02 2 857 91 91 PHE C C 173.866 0.03 1 858 91 91 PHE CA C 58.641 0.03 1 859 91 91 PHE CB C 41.303 0.03 1 860 91 91 PHE N N 122.173 0.03 1 861 92 92 ASP H H 9.365 0.02 1 862 92 92 ASP HA H 5.397 0.02 1 863 92 92 ASP HB2 H 2.674 0.02 2 864 92 92 ASP HB3 H 2.521 0.02 2 865 92 92 ASP C C 173.708 0.03 1 866 92 92 ASP CA C 53.675 0.03 1 867 92 92 ASP CB C 46.305 0.03 1 868 92 92 ASP N N 126.461 0.03 1 869 93 93 LEU H H 8.543 0.02 1 870 93 93 LEU HA H 3.787 0.02 1 871 93 93 LEU HB2 H 1.549 0.02 1 872 93 93 LEU HB3 H 1.549 0.02 1 873 93 93 LEU HG H 0.905 0.02 1 874 93 93 LEU HD1 H 0.625 0.02 2 875 93 93 LEU HD2 H -0.355 0.02 2 876 93 93 LEU C C 174.791 0.03 1 877 93 93 LEU CA C 53.679 0.03 1 878 93 93 LEU CB C 40.299 0.03 1 879 93 93 LEU CG C 26.368 0.03 1 880 93 93 LEU CD1 C 25.878 0.03 1 881 93 93 LEU CD2 C 20.512 0.03 1 882 93 93 LEU N N 124.025 0.03 1 883 94 94 LEU H H 8.879 0.02 1 884 94 94 LEU HA H 4.530 0.02 1 885 94 94 LEU HB2 H 1.652 0.02 2 886 94 94 LEU HB3 H 1.247 0.02 2 887 94 94 LEU HG H 1.469 0.02 1 888 94 94 LEU HD1 H 0.906 0.02 2 889 94 94 LEU HD2 H 0.930 0.02 2 890 94 94 LEU C C 176.617 0.03 1 891 94 94 LEU CA C 53.500 0.03 1 892 94 94 LEU CB C 44.577 0.03 1 893 94 94 LEU CG C 27.441 0.03 1 894 94 94 LEU CD1 C 25.311 0.03 1 895 94 94 LEU CD2 C 24.272 0.03 1 896 94 94 LEU N N 129.818 0.03 1 897 95 95 ASN H H 9.560 0.02 1 898 95 95 ASN HA H 4.289 0.02 1 899 95 95 ASN HB2 H 2.792 0.02 2 900 95 95 ASN HB3 H 3.095 0.02 2 901 95 95 ASN C C 175.591 0.03 1 902 95 95 ASN CA C 53.929 0.03 1 903 95 95 ASN CB C 37.539 0.03 1 904 95 95 ASN N N 127.534 0.03 1 905 96 96 GLY H H 8.246 0.02 1 906 96 96 GLY HA2 H 4.126 0.02 2 907 96 96 GLY HA3 H 3.505 0.02 2 908 96 96 GLY C C 173.166 0.03 1 909 96 96 GLY CA C 45.491 0.03 1 910 96 96 GLY N N 103.334 0.03 1 911 97 97 GLU H H 7.500 0.02 1 912 97 97 GLU HA H 4.714 0.02 1 913 97 97 GLU HB2 H 1.947 0.02 2 914 97 97 GLU HB3 H 1.927 0.02 2 915 97 97 GLU HG2 H 2.227 0.02 2 916 97 97 GLU HG3 H 2.306 0.02 2 917 97 97 GLU C C 173.517 0.03 1 918 97 97 GLU CA C 53.601 0.03 1 919 97 97 GLU CB C 33.760 0.03 1 920 97 97 GLU CG C 36.038 0.03 1 921 97 97 GLU N N 120.350 0.03 1 922 98 98 TRP H H 7.993 0.02 1 923 98 98 TRP HA H 5.186 0.02 1 924 98 98 TRP HB2 H 2.751 0.02 1 925 98 98 TRP HB3 H 2.751 0.02 1 926 98 98 TRP C C 177.230 0.03 1 927 98 98 TRP CA C 56.244 0.03 1 928 98 98 TRP CB C 28.175 0.03 1 929 98 98 TRP N N 123.502 0.03 1 930 99 99 VAL H H 10.015 0.02 1 931 99 99 VAL HA H 5.303 0.02 1 932 99 99 VAL HB H 2.002 0.02 1 933 99 99 VAL HG1 H 1.023 0.02 2 934 99 99 VAL HG2 H 0.997 0.02 2 935 99 99 VAL C C 174.513 0.03 1 936 99 99 VAL CA C 60.689 0.03 1 937 99 99 VAL CB C 36.902 0.03 1 938 99 99 VAL CG1 C 21.131 0.03 1 939 99 99 VAL CG2 C 21.257 0.03 1 940 99 99 VAL N N 127.939 0.03 1 941 100 100 SER H H 9.277 0.02 1 942 100 100 SER HA H 4.998 0.02 1 943 100 100 SER HB2 H 3.364 0.02 2 944 100 100 SER HB3 H 4.109 0.02 2 945 100 100 SER C C 174.513 0.03 1 946 100 100 SER CA C 55.913 0.03 1 947 100 100 SER CB C 62.853 0.03 1 948 100 100 SER N N 122.449 0.03 1 949 101 101 LEU H H 9.773 0.02 1 950 101 101 LEU HA H 4.211 0.02 1 951 101 101 LEU HB2 H 1.832 0.02 1 952 101 101 LEU HG H 1.978 0.02 1 953 101 101 LEU HD1 H 1.056 0.02 2 954 101 101 LEU HD2 H 0.962 0.02 2 955 101 101 LEU C C 178.122 0.03 1 956 101 101 LEU CA C 56.651 0.03 1 957 101 101 LEU CB C 40.538 0.03 1 958 101 101 LEU CG C 27.323 0.03 1 959 101 101 LEU CD1 C 26.142 0.03 1 960 101 101 LEU CD2 C 22.786 0.03 1 961 101 101 LEU N N 132.840 0.03 1 962 102 102 ARG H H 8.037 0.02 1 963 102 102 ARG HA H 4.201 0.02 1 964 102 102 ARG HB2 H 1.744 0.02 2 965 102 102 ARG HB3 H 1.844 0.02 2 966 102 102 ARG HG2 H 1.621 0.02 2 967 102 102 ARG HG3 H 1.687 0.02 2 968 102 102 ARG HD2 H 3.275 0.02 2 969 102 102 ARG HD3 H 3.218 0.02 2 970 102 102 ARG C C 177.320 0.03 1 971 102 102 ARG CA C 58.247 0.03 1 972 102 102 ARG CB C 30.347 0.03 1 973 102 102 ARG CG C 26.976 0.03 1 974 102 102 ARG CD C 43.158 0.03 1 975 102 102 ARG N N 118.983 0.03 1 976 103 103 ASN H H 7.403 0.02 1 977 103 103 ASN HA H 4.954 0.02 1 978 103 103 ASN HB2 H 3.260 0.02 2 979 103 103 ASN HB3 H 2.801 0.02 2 980 103 103 ASN C C 176.281 0.03 1 981 103 103 ASN CA C 52.247 0.03 1 982 103 103 ASN CB C 39.744 0.03 1 983 103 103 ASN N N 112.921 0.03 1 984 104 104 GLY H H 8.469 0.02 1 985 104 104 GLY HA2 H 4.256 0.02 2 986 104 104 GLY HA3 H 3.912 0.02 2 987 104 104 GLY C C 174.315 0.03 1 988 104 104 GLY CA C 46.306 0.03 1 989 104 104 GLY N N 110.754 0.03 1 990 105 105 THR H H 7.597 0.02 1 991 105 105 THR HA H 4.313 0.02 1 992 105 105 THR HB H 4.218 0.02 1 993 105 105 THR HG2 H 1.422 0.02 1 994 105 105 THR C C 173.984 0.03 1 995 105 105 THR CA C 62.625 0.03 1 996 105 105 THR CB C 70.609 0.03 1 997 105 105 THR CG2 C 22.607 0.03 1 998 105 105 THR N N 114.659 0.03 1 999 106 106 LYS H H 9.148 0.02 1 1000 106 106 LYS HA H 5.172 0.02 1 1001 106 106 LYS HB2 H 1.933 0.02 2 1002 106 106 LYS HB3 H 2.323 0.02 2 1003 106 106 LYS HG2 H 1.546 0.02 2 1004 106 106 LYS HG3 H 1.795 0.02 2 1005 106 106 LYS HD2 H 1.860 0.02 1 1006 106 106 LYS HD3 H 1.860 0.02 1 1007 106 106 LYS HE2 H 3.012 0.02 2 1008 106 106 LYS HE3 H 3.108 0.02 2 1009 106 106 LYS C C 176.845 0.03 1 1010 106 106 LYS CA C 55.813 0.03 1 1011 106 106 LYS CB C 33.173 0.03 1 1012 106 106 LYS CG C 26.535 0.03 1 1013 106 106 LYS CD C 29.264 0.03 1 1014 106 106 LYS CE C 41.925 0.03 1 1015 106 106 LYS N N 125.013 0.03 1 1016 107 107 LEU H H 7.296 0.02 1 1017 107 107 LEU HA H 3.260 0.02 1 1018 107 107 LEU HB2 H 1.618 0.02 1 1019 107 107 LEU HB3 H 1.618 0.02 1 1020 107 107 LEU HG H 1.492 0.02 1 1021 107 107 LEU HD1 H 0.517 0.02 2 1022 107 107 LEU HD2 H 0.452 0.02 2 1023 107 107 LEU C C 177.482 0.03 1 1024 107 107 LEU CA C 58.901 0.03 1 1025 107 107 LEU CB C 40.125 0.03 1 1026 107 107 LEU CG C 26.535 0.03 1 1027 107 107 LEU CD1 C 23.605 0.03 1 1028 107 107 LEU CD2 C 26.477 0.03 1 1029 107 107 LEU N N 129.722 0.03 1 1030 108 108 THR H H 9.375 0.02 1 1031 108 108 THR HA H 3.702 0.02 1 1032 108 108 THR HB H 4.187 0.02 1 1033 108 108 THR HG2 H 1.379 0.02 1 1034 108 108 THR CA C 66.511 0.03 1 1035 108 108 THR CB C 69.474 0.03 1 1036 108 108 THR CG2 C 22.585 0.03 1 1037 108 108 THR N N 114.352 0.03 1 1038 109 109 ASP H H 6.847 0.02 1 1039 109 109 ASP HA H 4.413 0.02 1 1040 109 109 ASP HB2 H 2.868 0.02 1 1041 109 109 ASP C C 178.177 0.03 1 1042 109 109 ASP CA C 57.460 0.03 1 1043 109 109 ASP CB C 39.894 0.03 1 1044 109 109 ASP N N 122.208 0.03 1 1045 110 110 ILE H H 7.951 0.02 1 1046 110 110 ILE HA H 4.038 0.02 1 1047 110 110 ILE HB H 1.894 0.02 1 1048 110 110 ILE HG12 H 1.339 0.02 1 1049 110 110 ILE HG13 H 1.339 0.02 1 1050 110 110 ILE HG2 H 1.066 0.02 1 1051 110 110 ILE HD1 H 1.087 0.02 1 1052 110 110 ILE C C 177.307 0.03 1 1053 110 110 ILE CA C 64.298 0.03 1 1054 110 110 ILE CB C 38.347 0.03 1 1055 110 110 ILE CG1 C 28.796 0.03 1 1056 110 110 ILE CG2 C 16.974 0.03 1 1057 110 110 ILE CD1 C 13.930 0.03 1 1058 110 110 ILE N N 122.781 0.03 1 1059 111 111 LEU H H 7.928 0.02 1 1060 111 111 LEU HA H 4.007 0.02 1 1061 111 111 LEU HB2 H 1.506 0.02 1 1062 111 111 LEU HB3 H 1.506 0.02 1 1063 111 111 LEU HG H 1.698 0.02 1 1064 111 111 LEU HD1 H 0.845 0.02 2 1065 111 111 LEU HD2 H 0.847 0.02 2 1066 111 111 LEU C C 178.626 0.03 1 1067 111 111 LEU CA C 57.878 0.03 1 1068 111 111 LEU CB C 42.219 0.03 1 1069 111 111 LEU CG C 26.996 0.03 1 1070 111 111 LEU CD1 C 25.793 0.03 1 1071 111 111 LEU CD2 C 24.434 0.03 1 1072 111 111 LEU N N 120.309 0.03 1 1073 112 112 THR H H 8.108 0.02 1 1074 112 112 THR HA H 3.733 0.02 1 1075 112 112 THR HB H 4.387 0.02 1 1076 112 112 THR HG2 H 1.294 0.02 1 1077 112 112 THR C C 178.673 0.03 1 1078 112 112 THR CA C 67.309 0.03 1 1079 112 112 THR CB C 68.724 0.03 1 1080 112 112 THR CG2 C 21.149 0.03 1 1081 112 112 THR N N 114.358 0.03 1 1082 113 113 GLU H H 8.023 0.02 1 1083 113 113 GLU HA H 4.061 0.02 1 1084 113 113 GLU HB2 H 2.287 0.02 1 1085 113 113 GLU HB3 H 2.287 0.02 1 1086 113 113 GLU HG2 H 2.507 0.02 2 1087 113 113 GLU HG3 H 2.355 0.02 2 1088 113 113 GLU C C 179.556 0.03 1 1089 113 113 GLU CA C 59.437 0.03 1 1090 113 113 GLU CB C 29.393 0.03 1 1091 113 113 GLU CG C 35.948 0.03 1 1092 113 113 GLU N N 121.799 0.03 1 1093 114 114 GLU H H 8.235 0.02 1 1094 114 114 GLU HA H 3.930 0.02 1 1095 114 114 GLU HB2 H 2.174 0.02 1 1096 114 114 GLU HB3 H 2.174 0.02 1 1097 114 114 GLU HG2 H 3.176 0.02 2 1098 114 114 GLU HG3 H 2.146 0.02 2 1099 114 114 GLU C C 178.516 0.03 1 1100 114 114 GLU CA C 61.210 0.03 1 1101 114 114 GLU CB C 28.035 0.03 1 1102 114 114 GLU CG C 37.569 0.03 1 1103 114 114 GLU N N 120.223 0.03 1 1104 115 115 VAL H H 8.617 0.02 1 1105 115 115 VAL HA H 3.552 0.02 1 1106 115 115 VAL HB H 2.183 0.02 1 1107 115 115 VAL HG1 H 0.862 0.02 2 1108 115 115 VAL HG2 H 0.880 0.02 2 1109 115 115 VAL C C 178.346 0.03 1 1110 115 115 VAL CA C 67.143 0.03 1 1111 115 115 VAL CB C 31.078 0.03 1 1112 115 115 VAL CG1 C 22.833 0.03 1 1113 115 115 VAL CG2 C 22.207 0.03 1 1114 115 115 VAL N N 120.309 0.03 1 1115 116 116 GLU H H 8.234 0.02 1 1116 116 116 GLU HA H 3.921 0.02 1 1117 116 116 GLU HB2 H 2.216 0.02 1 1118 116 116 GLU HB3 H 2.216 0.02 1 1119 116 116 GLU HG2 H 2.130 0.02 1 1120 116 116 GLU HG3 H 2.130 0.02 1 1121 116 116 GLU C C 179.923 0.03 1 1122 116 116 GLU CA C 59.938 0.03 1 1123 116 116 GLU CB C 28.716 0.03 1 1124 116 116 GLU N N 119.670 0.03 1 1125 117 117 LYS H H 7.837 0.02 1 1126 117 117 LYS HA H 4.118 0.02 1 1127 117 117 LYS HB2 H 2.348 0.02 2 1128 117 117 LYS HB3 H 2.212 0.02 2 1129 117 117 LYS HG2 H 1.874 0.02 2 1130 117 117 LYS HG3 H 1.628 0.02 2 1131 117 117 LYS HD2 H 1.699 0.02 2 1132 117 117 LYS HD3 H 1.756 0.02 2 1133 117 117 LYS HE2 H 3.032 0.02 1 1134 117 117 LYS HE3 H 3.032 0.02 1 1135 117 117 LYS C C 179.212 0.03 1 1136 117 117 LYS CA C 59.528 0.03 1 1137 117 117 LYS CB C 32.284 0.03 1 1138 117 117 LYS CG C 25.818 0.03 1 1139 117 117 LYS CD C 29.468 0.03 1 1140 117 117 LYS CE C 41.876 0.03 1 1141 117 117 LYS N N 121.242 0.03 1 1142 118 118 ALA H H 8.001 0.02 1 1143 118 118 ALA HA H 3.779 0.02 1 1144 118 118 ALA HB H 1.395 0.02 1 1145 118 118 ALA C C 179.923 0.03 1 1146 118 118 ALA CA C 54.825 0.03 1 1147 118 118 ALA CB C 18.514 0.03 1 1148 118 118 ALA N N 123.197 0.03 1 1149 119 119 ILE H H 7.994 0.02 1 1150 119 119 ILE HA H 4.034 0.02 1 1151 119 119 ILE HB H 1.758 0.02 1 1152 119 119 ILE HG12 H 1.607 0.02 1 1153 119 119 ILE HG13 H 1.607 0.02 1 1154 119 119 ILE HG2 H 0.551 0.02 1 1155 119 119 ILE HD1 H 0.628 0.02 1 1156 119 119 ILE C C 177.936 0.03 1 1157 119 119 ILE CA C 63.478 0.03 1 1158 119 119 ILE CB C 37.905 0.03 1 1159 119 119 ILE CG1 C 28.144 0.03 1 1160 119 119 ILE CG2 C 17.043 0.03 1 1161 119 119 ILE CD1 C 13.661 0.03 1 1162 119 119 ILE N N 117.968 0.03 1 1163 120 120 SER H H 7.968 0.02 1 1164 120 120 SER HA H 4.315 0.02 1 1165 120 120 SER HB2 H 4.065 0.02 1 1166 120 120 SER HB3 H 4.065 0.02 1 1167 120 120 SER C C 177.877 0.03 1 1168 120 120 SER CA C 60.053 0.03 1 1169 120 120 SER CB C 63.458 0.03 1 1170 120 120 SER N N 117.247 0.03 1 1171 121 121 LYS H H 7.757 0.02 1 1172 121 121 LYS HA H 4.327 0.02 1 1173 121 121 LYS HB2 H 2.031 0.02 2 1174 121 121 LYS HB3 H 1.960 0.02 2 1175 121 121 LYS HG2 H 1.602 0.02 1 1176 121 121 LYS HG3 H 1.602 0.02 1 1177 121 121 LYS HD2 H 1.773 0.02 1 1178 121 121 LYS HD3 H 1.773 0.02 1 1179 121 121 LYS HE2 H 3.103 0.02 2 1180 121 121 LYS HE3 H 3.121 0.02 2 1181 121 121 LYS C C 176.669 0.03 1 1182 121 121 LYS CA C 56.876 0.03 1 1183 121 121 LYS CB C 32.045 0.03 1 1184 121 121 LYS CG C 24.672 0.03 1 1185 121 121 LYS CD C 28.986 0.03 1 1186 121 121 LYS CE C 41.928 0.03 1 1187 121 121 LYS N N 122.452 0.03 1 1188 122 122 SER H H 8.023 0.02 1 1189 122 122 SER HA H 4.380 0.02 1 1190 122 122 SER HB2 H 3.958 0.02 1 1191 122 122 SER HB3 H 3.958 0.02 1 1192 122 122 SER C C 173.683 0.03 1 1193 122 122 SER CA C 58.632 0.03 1 1194 122 122 SER CB C 64.187 0.03 1 1195 122 122 SER N N 117.428 0.03 1 1196 123 123 GLN H H 7.856 0.02 1 1197 123 123 GLN HA H 4.224 0.02 1 1198 123 123 GLN HB2 H 2.056 0.02 2 1199 123 123 GLN HB3 H 2.236 0.02 2 1200 123 123 GLN HG2 H 2.424 0.02 1 1201 123 123 GLN HG3 H 2.424 0.02 1 1202 123 123 GLN C C 180.591 0.03 1 1203 123 123 GLN CA C 57.469 0.03 1 1204 123 123 GLN CB C 30.371 0.03 1 1205 123 123 GLN CG C 34.324 0.03 1 1206 123 123 GLN N N 128.036 0.03 1 stop_ save_