data_18171 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Solution structure of atTic-hip/hop domain (Residue 310-371) ; _BMRB_accession_number 18171 _BMRB_flat_file_name bmr18171.str _Entry_type original _Submission_date 2012-01-01 _Accession_date 2012-01-01 _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 Chen Chinpan . . 2 Kao Yi-Fen . . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 371 "13C chemical shifts" 262 "15N chemical shifts" 67 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2013-02-13 update BMRB 'update entry citation' 2012-09-14 original author 'original release' stop_ save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full . _Citation_title 'Solution structure of the C-terminal NP-repeat domain of Tic40, a co-chaperone during protein import into chloroplasts.' _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 22888115 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Kao Yi-Fen . . 2 Lou Yuan-Chao . . 3 Yeh Yi-Hung . . 4 Hsiao Chwan-Deng . . 5 Chen Chinpan . . stop_ _Journal_abbreviation 'J. Biochem.' _Journal_name_full 'Journal of biochemistry' _Journal_volume 152 _Journal_issue 5 _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 443 _Page_last 451 _Year 2012 _Details . save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name 'atTic-hip/hop domain (Residue 310-371)' _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label 'atTic-hip/hop domain (Residue 310-371)' $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 7056.178 _Mol_thiol_state 'all free' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 62 _Mol_residue_sequence ; PEEVISKIMENPDVAMAFQN PRVQAALMECSENPMNIMKY QNDKEVMDVFNKISQLFPGM TG ; loop_ _Residue_seq_code _Residue_label 1 PRO 2 GLU 3 GLU 4 VAL 5 ILE 6 SER 7 LYS 8 ILE 9 MET 10 GLU 11 ASN 12 PRO 13 ASP 14 VAL 15 ALA 16 MET 17 ALA 18 PHE 19 GLN 20 ASN 21 PRO 22 ARG 23 VAL 24 GLN 25 ALA 26 ALA 27 LEU 28 MET 29 GLU 30 CYS 31 SER 32 GLU 33 ASN 34 PRO 35 MET 36 ASN 37 ILE 38 MET 39 LYS 40 TYR 41 GLN 42 ASN 43 ASP 44 LYS 45 GLU 46 VAL 47 MET 48 ASP 49 VAL 50 PHE 51 ASN 52 LYS 53 ILE 54 SER 55 GLN 56 LEU 57 PHE 58 PRO 59 GLY 60 MET 61 THR 62 GLY stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date 2015-01-30 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 2LNM "Solution Structure Of The C-Terminal Np-Repeat Domain Of Tic40, A Co- Chaperone During Protein Import Into Chloroplasts" 100.00 62 100.00 100.00 2.53e-36 DBJ BAB10189 "translocon Tic40-like protein [Arabidopsis thaliana]" 100.00 447 100.00 100.00 3.53e-34 EMBL CDX69438 "BnaA10g17870D [Brassica napus]" 100.00 457 100.00 100.00 1.96e-34 EMBL CDX85495 "BnaA02g03180D [Brassica napus]" 100.00 450 98.39 100.00 5.85e-34 EMBL CDY38098 "BnaC02g06750D [Brassica napus]" 100.00 450 98.39 100.00 6.47e-34 GB AAL16131 "AT5g16620/MTG13_6 [Arabidopsis thaliana]" 100.00 447 100.00 100.00 3.53e-34 GB AAM13009 "translocon Tic40-like protein [Arabidopsis thaliana]" 100.00 447 100.00 100.00 3.53e-34 GB AAP31939 "At5g16620 [Arabidopsis thaliana]" 100.00 447 100.00 100.00 3.53e-34 GB AED92318 "hydroxyproline-rich glycoprotein family protein [Arabidopsis thaliana]" 100.00 447 100.00 100.00 3.53e-34 GB EFH47986 "hypothetical protein ARALYDRAFT_488521 [Arabidopsis lyrata subsp. lyrata]" 100.00 447 100.00 100.00 3.35e-34 REF NP_197165 "protein TIC 40 [Arabidopsis thaliana]" 100.00 447 100.00 100.00 3.53e-34 REF XP_002871727 "hypothetical protein ARALYDRAFT_488521 [Arabidopsis lyrata subsp. lyrata]" 100.00 447 100.00 100.00 3.35e-34 REF XP_006287761 "hypothetical protein CARUB_v10000974mg [Capsella rubella]" 100.00 441 100.00 100.00 4.44e-34 REF XP_006287762 "hypothetical protein CARUB_v10000974mg [Capsella rubella]" 100.00 314 100.00 100.00 2.53e-34 REF XP_006400200 "hypothetical protein EUTSA_v10013528mg [Eutrema salsugineum]" 100.00 449 100.00 100.00 3.39e-34 SP Q9FMD5 "RecName: Full=Protein TIC 40, chloroplastic; AltName: Full=Protein PIGMENT DEFECTIVE EMBRYO 120; AltName: Full=Translocon at th" 100.00 447 100.00 100.00 3.53e-34 stop_ save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species _Gene_mnemonic $entity 'Thale cress' 3702 Eukaryota Viridiplantae Arabidopsis thaliana tic40 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 _Details $entity 'recombinant technology' . Escherichia coli BL21(DE3) pET15b ; cutting sites: NdeI and XhoI ; stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_Tic40-Hip-Hop _Saveframe_category sample _Sample_type solution _Details '10% TFE was added to stable the structure' loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling 'potassium phosphate' 20 mM 'natural abundance' 'sodium citrate' 20 mM 'natural abundance' 'sodium chloride' 100 mM 'natural abundance' $entity 10 % '[U-99% 2H]' H2O 90 % 'natural abundance' D2O 10 % 'natural abundance' stop_ save_ ############################ # Computer software used # ############################ save_X-PLOR_NIH _Saveframe_category software _Name 'X-PLOR NIH' _Version 2.18 loop_ _Vendor _Address _Electronic_address 'Schwieters, Kuszewski, Tjandra and Clore' . . stop_ loop_ _Task 'structure solution' stop_ _Details . save_ save_NMRView _Saveframe_category software _Name NMRView _Version 5 loop_ _Vendor _Address _Electronic_address 'Johnson, One Moon Scientific' . . stop_ loop_ _Task 'chemical shift assignment' 'peak picking' 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_TALOS _Saveframe_category software _Name TALOS _Version . loop_ _Vendor _Address _Electronic_address 'Cornilescu, Delaglio and Bax' . . stop_ loop_ _Task 'data analysis' stop_ _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model Avance _Field_strength 600 _Details . save_ ############################# # NMR applied experiments # ############################# save_2D_1H-15N_HSQC_1 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-15N HSQC' _Sample_label $Tic40-Hip-Hop save_ save_2D_1H-13C_HSQC_2 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-13C HSQC' _Sample_label $Tic40-Hip-Hop save_ save_3D_CBCA(CO)NH_3 _Saveframe_category NMR_applied_experiment _Experiment_name '3D CBCA(CO)NH' _Sample_label $Tic40-Hip-Hop save_ save_3D_HNCACB_4 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCACB' _Sample_label $Tic40-Hip-Hop save_ save_3D_HNCO_5 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCO' _Sample_label $Tic40-Hip-Hop save_ save_3D_HN(CA)CO_6 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HN(CA)CO' _Sample_label $Tic40-Hip-Hop save_ save_3D_HNCA_7 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCA' _Sample_label $Tic40-Hip-Hop save_ save_3D_HN(CO)CA_8 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HN(CO)CA' _Sample_label $Tic40-Hip-Hop save_ save_3D_HCCH-TOCSY_9 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HCCH-TOCSY' _Sample_label $Tic40-Hip-Hop save_ save_3D_CCCONH_10 _Saveframe_category NMR_applied_experiment _Experiment_name '3D CCCONH' _Sample_label $Tic40-Hip-Hop save_ save_3D_1H-15N_NOESY_11 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-15N NOESY' _Sample_label $Tic40-Hip-Hop save_ save_3D_1H-15N_TOCSY_12 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-15N TOCSY' _Sample_label $Tic40-Hip-Hop save_ save_3D_1H-13C_NOESY_13 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-13C NOESY' _Sample_label $Tic40-Hip-Hop save_ save_2D_1H-1H_NOESY_14 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-1H NOESY' _Sample_label $Tic40-Hip-Hop save_ ####################### # Sample conditions # ####################### save_Tic40-Hip-Hop_NMR_sample _Saveframe_category sample_conditions _Details . loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units 'ionic strength' 140 . mM pH 5.56 . pH pressure 1 . atm temperature 310 . 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 HNCACB' '3D HNCO' '3D HCCH-TOCSY' '3D CCCONH' '3D 1H-15N NOESY' '2D 1H-1H NOESY' stop_ loop_ _Sample_label $Tic40-Hip-Hop stop_ _Sample_conditions_label $Tic40-Hip-Hop_NMR_sample _Chem_shift_reference_set_label $chemical_shift_reference_1 _Mol_system_component_name 'atTic-hip/hop domain (Residue 310-371)' _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 PRO HA H 4.089 0.02 1 2 1 1 PRO HB2 H 2.246 0.02 2 3 1 1 PRO HB3 H 1.884 0.02 2 4 1 1 PRO HG2 H 2.2 0.02 2 5 1 1 PRO HG3 H 1.946 0.02 2 6 1 1 PRO HD2 H 3.883 0.02 2 7 1 1 PRO HD3 H 3.841 0.02 2 8 1 1 PRO C C 177.927 0.2 1 9 1 1 PRO CA C 65.669 0.2 1 10 1 1 PRO CB C 31.39 0.2 1 11 1 1 PRO CG C 27.683 0.2 1 12 1 1 PRO CD C 50.08 0.2 1 13 2 2 GLU H H 8.756 0.02 1 14 2 2 GLU HA H 3.86 0.02 1 15 2 2 GLU HB2 H 2.023 0.02 2 16 2 2 GLU HB3 H 1.904 0.02 2 17 2 2 GLU HG2 H 2.377 0.02 2 18 2 2 GLU HG3 H 2.201 0.02 2 19 2 2 GLU C C 179.259 0.2 1 20 2 2 GLU CA C 60.36 0.2 1 21 2 2 GLU CB C 28.726 0.2 1 22 2 2 GLU CG C 36.703 0.2 1 23 2 2 GLU N N 115.081 0.1 1 24 3 3 GLU H H 7.722 0.02 1 25 3 3 GLU HA H 4.016 0.02 1 26 3 3 GLU HB2 H 2.009 0.02 2 27 3 3 GLU HB3 H 2.009 0.02 2 28 3 3 GLU HG2 H 2.27 0.02 2 29 3 3 GLU HG3 H 2.328 0.02 2 30 3 3 GLU C C 178.863 0.2 1 31 3 3 GLU CA C 59.006 0.2 1 32 3 3 GLU CB C 30.365 0.2 1 33 3 3 GLU CG C 37.227 0.2 1 34 3 3 GLU N N 120.051 0.1 1 35 4 4 VAL H H 7.815 0.02 1 36 4 4 VAL HA H 3.509 0.02 1 37 4 4 VAL HB H 2.109 0.02 1 38 4 4 VAL HG1 H 0.694 0.02 2 39 4 4 VAL HG2 H 0.789 0.02 2 40 4 4 VAL C C 177.687 0.2 1 41 4 4 VAL CA C 66.667 0.2 1 42 4 4 VAL CB C 31.541 0.2 1 43 4 4 VAL CG1 C 20.613 0.2 2 44 4 4 VAL CG2 C 22.77 0.2 2 45 4 4 VAL N N 120.223 0.1 1 46 5 5 ILE H H 8.293 0.02 1 47 5 5 ILE HA H 3.5 0.02 1 48 5 5 ILE HB H 1.805 0.02 1 49 5 5 ILE HG12 H 1.556 0.02 2 50 5 5 ILE HG13 H 1.112 0.02 2 51 5 5 ILE HG2 H 0.787 0.02 1 52 5 5 ILE HD1 H 0.713 0.02 1 53 5 5 ILE C C 177.638 0.2 1 54 5 5 ILE CA C 64.361 0.2 1 55 5 5 ILE CB C 37.136 0.2 1 56 5 5 ILE CG1 C 28.898 0.2 1 57 5 5 ILE CG2 C 17.307 0.2 1 58 5 5 ILE CD1 C 11.727 0.2 1 59 5 5 ILE N N 118.475 0.1 1 60 6 6 SER H H 7.74 0.02 1 61 6 6 SER HA H 4.034 0.02 1 62 6 6 SER HB2 H 3.934 0.02 2 63 6 6 SER HB3 H 3.934 0.02 2 64 6 6 SER C C 176.398 0.2 1 65 6 6 SER CA C 61.781 0.2 1 66 6 6 SER CB C 62.77 0.2 1 67 6 6 SER N N 113.327 0.1 1 68 7 7 LYS H H 7.523 0.02 1 69 7 7 LYS HA H 4.143 0.02 1 70 7 7 LYS HB2 H 2.006 0.02 2 71 7 7 LYS HB3 H 1.854 0.02 2 72 7 7 LYS HG2 H 1.456 0.02 2 73 7 7 LYS HG3 H 1.456 0.02 2 74 7 7 LYS HD2 H 1.595 0.02 2 75 7 7 LYS HD3 H 1.595 0.02 2 76 7 7 LYS HE2 H 2.882 0.02 2 77 7 7 LYS HE3 H 2.882 0.02 2 78 7 7 LYS C C 179.622 0.2 1 79 7 7 LYS CA C 58.006 0.2 1 80 7 7 LYS CB C 31.742 0.2 1 81 7 7 LYS CG C 24.567 0.2 1 82 7 7 LYS CD C 27.975 0.2 1 83 7 7 LYS CE C 41.887 0.2 1 84 7 7 LYS N N 119.755 0.1 1 85 8 8 ILE H H 8.132 0.02 1 86 8 8 ILE HA H 3.643 0.02 1 87 8 8 ILE HB H 1.862 0.02 1 88 8 8 ILE HG12 H 1.582 0.02 2 89 8 8 ILE HG13 H 0.989 0.02 2 90 8 8 ILE HG2 H 0.637 0.02 1 91 8 8 ILE HD1 H 0.487 0.02 1 92 8 8 ILE C C 177.51 0.2 1 93 8 8 ILE CA C 65.18 0.2 1 94 8 8 ILE CB C 37.461 0.2 1 95 8 8 ILE CG1 C 28.256 0.2 1 96 8 8 ILE CG2 C 17.001 0.2 1 97 8 8 ILE CD1 C 13.4 0.2 1 98 8 8 ILE N N 119.544 0.1 1 99 9 9 MET H H 7.835 0.02 1 100 9 9 MET HA H 4.104 0.02 1 101 9 9 MET HB2 H 2.049 0.02 2 102 9 9 MET HB3 H 2.049 0.02 2 103 9 9 MET HG2 H 2.631 0.02 2 104 9 9 MET HG3 H 2.476 0.02 2 105 9 9 MET C C 177.018 0.2 1 106 9 9 MET CA C 56.601 0.2 1 107 9 9 MET CB C 31.479 0.2 1 108 9 9 MET CG C 32.524 0.2 1 109 9 9 MET N N 114.616 0.1 1 110 10 10 GLU H H 7.318 0.02 1 111 10 10 GLU HA H 4.152 0.02 1 112 10 10 GLU HB2 H 2.102 0.02 2 113 10 10 GLU HB3 H 2.102 0.02 2 114 10 10 GLU HG2 H 2.532 0.02 2 115 10 10 GLU HG3 H 2.299 0.02 2 116 10 10 GLU C C 176.263 0.2 1 117 10 10 GLU CA C 57.083 0.2 1 118 10 10 GLU CB C 30.01 0.2 1 119 10 10 GLU CG C 36.134 0.2 1 120 10 10 GLU N N 116.206 0.1 1 121 11 11 ASN H H 7.707 0.02 1 122 11 11 ASN HA H 5.141 0.02 1 123 11 11 ASN HB2 H 2.941 0.02 2 124 11 11 ASN HB3 H 2.752 0.02 2 125 11 11 ASN HD21 H 7.639 0.02 2 126 11 11 ASN HD22 H 7.25 0.02 2 127 11 11 ASN C C 173.093 0.2 1 128 11 11 ASN CA C 50.709 0.2 1 129 11 11 ASN CB C 40.1 0.2 1 130 11 11 ASN N N 119.007 0.1 1 131 11 11 ASN ND2 N 113.726 0.1 1 132 12 12 PRO HA H 4.283 0.02 1 133 12 12 PRO HB2 H 2.37 0.02 2 134 12 12 PRO HB3 H 2.002 0.02 2 135 12 12 PRO HG2 H 2.058 0.02 2 136 12 12 PRO HG3 H 2.058 0.02 2 137 12 12 PRO HD2 H 3.945 0.02 2 138 12 12 PRO HD3 H 3.871 0.02 2 139 12 12 PRO C C 177.932 0.2 1 140 12 12 PRO CA C 65.228 0.2 1 141 12 12 PRO CB C 32.008 0.2 1 142 12 12 PRO CG C 27.131 0.2 1 143 12 12 PRO CD C 50.898 0.2 1 144 13 13 ASP H H 8.218 0.02 1 145 13 13 ASP HA H 4.425 0.02 1 146 13 13 ASP HB2 H 2.665 0.02 2 147 13 13 ASP HB3 H 2.665 0.02 2 148 13 13 ASP C C 178.456 0.2 1 149 13 13 ASP CA C 56.809 0.2 1 150 13 13 ASP CB C 39.939 0.2 1 151 13 13 ASP N N 116.41 0.1 1 152 14 14 VAL H H 7.722 0.02 1 153 14 14 VAL HA H 3.782 0.02 1 154 14 14 VAL HB H 2.231 0.02 1 155 14 14 VAL HG1 H 0.862 0.02 2 156 14 14 VAL HG2 H 0.935 0.02 2 157 14 14 VAL C C 177.045 0.2 1 158 14 14 VAL CA C 64.35 0.2 1 159 14 14 VAL CB C 31.761 0.2 1 160 14 14 VAL CG1 C 22.215 0.2 2 161 14 14 VAL CG2 C 22.215 0.2 2 162 14 14 VAL N N 120.053 0.1 1 163 15 15 ALA H H 8.245 0.02 1 164 15 15 ALA HA H 3.922 0.02 1 165 15 15 ALA HB H 1.47 0.02 1 166 15 15 ALA C C 180.315 0.2 1 167 15 15 ALA CA C 55.654 0.2 1 168 15 15 ALA CB C 18.177 0.2 1 169 15 15 ALA N N 121.814 0.1 1 170 16 16 MET H H 7.878 0.02 1 171 16 16 MET HA H 4.234 0.02 1 172 16 16 MET HB2 H 2.162 0.02 2 173 16 16 MET HB3 H 2.162 0.02 2 174 16 16 MET HG2 H 2.668 0.02 2 175 16 16 MET HG3 H 2.668 0.02 2 176 16 16 MET C C 178.93 0.2 1 177 16 16 MET CA C 58.011 0.2 1 178 16 16 MET CB C 32.027 0.2 1 179 16 16 MET CG C 32.054 0.2 1 180 16 16 MET N N 114.438 0.1 1 181 17 17 ALA H H 7.647 0.02 1 182 17 17 ALA HA H 4.178 0.02 1 183 17 17 ALA HB H 1.471 0.02 1 184 17 17 ALA C C 179.091 0.2 1 185 17 17 ALA CA C 54.563 0.2 1 186 17 17 ALA CB C 18.391 0.2 1 187 17 17 ALA N N 123.28 0.1 1 188 18 18 PHE H H 8.032 0.02 1 189 18 18 PHE HA H 4.118 0.02 1 190 18 18 PHE HB2 H 3.153 0.02 2 191 18 18 PHE HB3 H 3.058 0.02 2 192 18 18 PHE HD1 H 7.13 0.02 3 193 18 18 PHE HE1 H 7.071 0.02 3 194 18 18 PHE HZ H 6.18 0.02 1 195 18 18 PHE C C 175.169 0.2 1 196 18 18 PHE CA C 59.434 0.2 1 197 18 18 PHE CB C 39.043 0.2 1 198 18 18 PHE CD1 C 133.248 0.2 3 199 18 18 PHE CE1 C 132.815 0.2 3 200 18 18 PHE N N 114.808 0.1 1 201 19 19 GLN H H 7.414 0.02 1 202 19 19 GLN HA H 4.067 0.02 1 203 19 19 GLN HB2 H 2.269 0.02 2 204 19 19 GLN HB3 H 2.076 0.02 2 205 19 19 GLN HG2 H 2.556 0.02 2 206 19 19 GLN HG3 H 2.471 0.02 2 207 19 19 GLN HE21 H 7.284 0.02 2 208 19 19 GLN HE22 H 6.738 0.02 2 209 19 19 GLN C C 175.843 0.2 1 210 19 19 GLN CA C 56.147 0.2 1 211 19 19 GLN CB C 28.62 0.2 1 212 19 19 GLN CG C 34.016 0.2 1 213 19 19 GLN N N 114.221 0.1 1 214 19 19 GLN NE2 N 110.824 0.1 1 215 20 20 ASN H H 7.497 0.02 1 216 20 20 ASN HA H 4.883 0.02 1 217 20 20 ASN HB2 H 3.11 0.02 2 218 20 20 ASN HB3 H 2.93 0.02 2 219 20 20 ASN HD21 H 7.852 0.02 2 220 20 20 ASN HD22 H 7.003 0.02 2 221 20 20 ASN C C 174.726 0.2 1 222 20 20 ASN CA C 50.601 0.2 1 223 20 20 ASN CB C 39.257 0.2 1 224 20 20 ASN N N 119.994 0.1 1 225 20 20 ASN ND2 N 112.919 0.1 1 226 21 21 PRO HA H 4.189 0.02 1 227 21 21 PRO HB2 H 2.406 0.02 2 228 21 21 PRO HB3 H 1.985 0.02 2 229 21 21 PRO HG2 H 2.104 0.02 2 230 21 21 PRO HG3 H 2.077 0.02 2 231 21 21 PRO HD2 H 4.014 0.02 2 232 21 21 PRO HD3 H 3.874 0.02 2 233 21 21 PRO C C 178.747 0.2 1 234 21 21 PRO CA C 65.046 0.2 1 235 21 21 PRO CB C 32.121 0.2 1 236 21 21 PRO CG C 27.17 0.2 1 237 21 21 PRO CD C 51.086 0.2 1 238 22 22 ARG H H 8.066 0.02 1 239 22 22 ARG HA H 4.093 0.02 1 240 22 22 ARG HB2 H 1.787 0.02 2 241 22 22 ARG HB3 H 1.816 0.02 2 242 22 22 ARG HG2 H 1.542 0.02 2 243 22 22 ARG HG3 H 1.542 0.02 2 244 22 22 ARG HD2 H 3.342 0.02 2 245 22 22 ARG HD3 H 3.24 0.02 2 246 22 22 ARG C C 178.827 0.2 1 247 22 22 ARG CA C 58.986 0.2 1 248 22 22 ARG CB C 30.431 0.2 1 249 22 22 ARG CG C 27.974 0.2 1 250 22 22 ARG CD C 42.742 0.2 1 251 22 22 ARG N N 117.899 0.1 1 252 23 23 VAL H H 7.199 0.02 1 253 23 23 VAL HA H 3.384 0.02 1 254 23 23 VAL HB H 2.307 0.02 1 255 23 23 VAL HG1 H 0.701 0.02 2 256 23 23 VAL HG2 H 0.869 0.02 2 257 23 23 VAL C C 177.319 0.2 1 258 23 23 VAL CA C 65.748 0.2 1 259 23 23 VAL CB C 31.521 0.2 1 260 23 23 VAL CG1 C 21.668 0.2 2 261 23 23 VAL CG2 C 22.498 0.2 2 262 23 23 VAL N N 119.694 0.1 1 263 24 24 GLN H H 7.79 0.02 1 264 24 24 GLN HA H 3.633 0.02 1 265 24 24 GLN HB2 H 2.032 0.02 2 266 24 24 GLN HB3 H 1.993 0.02 2 267 24 24 GLN HG2 H 2.275 0.02 2 268 24 24 GLN HG3 H 2.275 0.02 2 269 24 24 GLN HE21 H 7.222 0.02 2 270 24 24 GLN HE22 H 6.314 0.02 2 271 24 24 GLN C C 177.902 0.2 1 272 24 24 GLN CA C 59.669 0.2 1 273 24 24 GLN CB C 28.02 0.2 1 274 24 24 GLN CG C 33.448 0.2 1 275 24 24 GLN N N 117.842 0.1 1 276 24 24 GLN NE2 N 109.521 0.1 1 277 25 25 ALA H H 7.808 0.02 1 278 25 25 ALA HA H 4.046 0.02 1 279 25 25 ALA HB H 1.487 0.02 1 280 25 25 ALA C C 179.854 0.2 1 281 25 25 ALA CA C 55.046 0.2 1 282 25 25 ALA CB C 17.824 0.2 1 283 25 25 ALA N N 119.267 0.1 1 284 26 26 ALA H H 7.5 0.02 1 285 26 26 ALA HA H 3.921 0.02 1 286 26 26 ALA HB H 0.731 0.02 1 287 26 26 ALA C C 179.988 0.2 1 288 26 26 ALA CA C 55.199 0.2 1 289 26 26 ALA CB C 18.171 0.2 1 290 26 26 ALA N N 120.738 0.1 1 291 27 27 LEU H H 8.324 0.02 1 292 27 27 LEU HA H 3.913 0.02 1 293 27 27 LEU HB2 H 1.805 0.02 2 294 27 27 LEU HB3 H 1.533 0.02 2 295 27 27 LEU HG H 1.688 0.02 1 296 27 27 LEU HD1 H 0.666 0.02 2 297 27 27 LEU HD2 H 0.666 0.02 2 298 27 27 LEU C C 179.923 0.2 1 299 27 27 LEU CA C 58.059 0.2 1 300 27 27 LEU CB C 40.928 0.2 1 301 27 27 LEU CG C 26.865 0.2 1 302 27 27 LEU CD1 C 22.994 0.2 2 303 27 27 LEU CD2 C 24.93 0.2 2 304 27 27 LEU N N 118.511 0.1 1 305 28 28 MET H H 8.127 0.02 1 306 28 28 MET HA H 4.144 0.02 1 307 28 28 MET HB2 H 2.211 0.02 2 308 28 28 MET HB3 H 2.159 0.02 2 309 28 28 MET HG2 H 2.729 0.02 2 310 28 28 MET HG3 H 2.592 0.02 2 311 28 28 MET C C 179.635 0.2 1 312 28 28 MET CA C 58.734 0.2 1 313 28 28 MET CB C 31.901 0.2 1 314 28 28 MET CG C 32.051 0.2 1 315 28 28 MET N N 118.681 0.1 1 316 29 29 GLU H H 8.302 0.02 1 317 29 29 GLU HA H 4.226 0.02 1 318 29 29 GLU HB2 H 2.392 0.02 2 319 29 29 GLU HB3 H 2.213 0.02 2 320 29 29 GLU HG2 H 2.607 0.02 2 321 29 29 GLU HG3 H 2.369 0.02 2 322 29 29 GLU C C 180.544 0.2 1 323 29 29 GLU CA C 59.696 0.2 1 324 29 29 GLU CB C 29.677 0.2 1 325 29 29 GLU CG C 36.531 0.2 1 326 29 29 GLU N N 119.813 0.1 1 327 30 30 CYS H H 8.465 0.02 1 328 30 30 CYS HA H 4.453 0.02 1 329 30 30 CYS HB2 H 2.99 0.02 2 330 30 30 CYS HB3 H 2.703 0.02 2 331 30 30 CYS C C 175.357 0.2 1 332 30 30 CYS CA C 62.482 0.2 1 333 30 30 CYS CB C 26.79 0.2 1 334 30 30 CYS N N 118.465 0.1 1 335 31 31 SER H H 7.859 0.02 1 336 31 31 SER HA H 4.174 0.02 1 337 31 31 SER HB2 H 3.946 0.02 2 338 31 31 SER HB3 H 3.946 0.02 2 339 31 31 SER C C 175.371 0.2 1 340 31 31 SER CA C 60.932 0.2 1 341 31 31 SER CB C 62.749 0.2 1 342 31 31 SER N N 114.366 0.1 1 343 32 32 GLU H H 7.254 0.02 1 344 32 32 GLU HA H 4.204 0.02 1 345 32 32 GLU HB2 H 2.102 0.02 2 346 32 32 GLU HB3 H 2.102 0.02 2 347 32 32 GLU HG2 H 2.384 0.02 2 348 32 32 GLU HG3 H 2.242 0.02 2 349 32 32 GLU C C 176.983 0.2 1 350 32 32 GLU CA C 57.972 0.2 1 351 32 32 GLU CB C 30.077 0.2 1 352 32 32 GLU CG C 35.95 0.2 1 353 32 32 GLU N N 119.996 0.1 1 354 33 33 ASN H H 7.37 0.02 1 355 33 33 ASN HA H 4.973 0.02 1 356 33 33 ASN HB2 H 2.947 0.02 2 357 33 33 ASN HB3 H 2.882 0.02 2 358 33 33 ASN HD21 H 7.569 0.02 2 359 33 33 ASN HD22 H 6.804 0.02 2 360 33 33 ASN C C 173.504 0.2 1 361 33 33 ASN CA C 50.736 0.2 1 362 33 33 ASN CB C 39.485 0.2 1 363 33 33 ASN N N 113.026 0.1 1 364 33 33 ASN ND2 N 111.204 0.1 1 365 34 34 PRO HA H 4.574 0.02 1 366 34 34 PRO HB2 H 2.443 0.02 2 367 34 34 PRO HB3 H 2.006 0.02 2 368 34 34 PRO HG2 H 2.12 0.02 2 369 34 34 PRO HG3 H 2.061 0.02 2 370 34 34 PRO HD2 H 3.906 0.02 2 371 34 34 PRO HD3 H 3.691 0.02 2 372 34 34 PRO C C 178.27 0.2 1 373 34 34 PRO CA C 64.827 0.2 1 374 34 34 PRO CB C 31.754 0.2 1 375 34 34 PRO CG C 26.865 0.2 1 376 34 34 PRO CD C 50.968 0.2 1 377 35 35 MET H H 7.962 0.02 1 378 35 35 MET HA H 4.33 0.02 1 379 35 35 MET HB2 H 2.078 0.02 2 380 35 35 MET HB3 H 2.006 0.02 2 381 35 35 MET HG2 H 2.728 0.02 2 382 35 35 MET HG3 H 2.561 0.02 2 383 35 35 MET C C 178.569 0.2 1 384 35 35 MET CA C 57.05 0.2 1 385 35 35 MET CB C 31.3 0.2 1 386 35 35 MET CG C 32.341 0.2 1 387 35 35 MET N N 115.258 0.1 1 388 36 36 ASN H H 8.462 0.02 1 389 36 36 ASN HA H 4.573 0.02 1 390 36 36 ASN HB2 H 2.973 0.02 2 391 36 36 ASN HB3 H 2.866 0.02 2 392 36 36 ASN HD21 H 7.489 0.02 2 393 36 36 ASN HD22 H 7.357 0.02 2 394 36 36 ASN C C 176.47 0.2 1 395 36 36 ASN CA C 55.126 0.2 1 396 36 36 ASN CB C 38.442 0.2 1 397 36 36 ASN N N 117.357 0.1 1 398 36 36 ASN ND2 N 114.036 0.1 1 399 37 37 ILE H H 7.82 0.02 1 400 37 37 ILE HA H 4.11 0.02 1 401 37 37 ILE HB H 1.789 0.02 1 402 37 37 ILE HG12 H 1.277 0.02 2 403 37 37 ILE HG13 H 0.791 0.02 2 404 37 37 ILE HG2 H 0.8 0.02 1 405 37 37 ILE HD1 H 0.547 0.02 1 406 37 37 ILE C C 177.331 0.2 1 407 37 37 ILE CA C 62.588 0.2 1 408 37 37 ILE CB C 38.015 0.2 1 409 37 37 ILE CG1 C 29.013 0.2 1 410 37 37 ILE CG2 C 17.563 0.2 1 411 37 37 ILE CD1 C 13.539 0.2 1 412 37 37 ILE N N 121.622 0.1 1 413 38 38 MET H H 7.479 0.02 1 414 38 38 MET HA H 4.174 0.02 1 415 38 38 MET HB2 H 2.098 0.02 2 416 38 38 MET HB3 H 2.098 0.02 2 417 38 38 MET HG2 H 2.722 0.02 2 418 38 38 MET HG3 H 2.602 0.02 2 419 38 38 MET C C 178.456 0.2 1 420 38 38 MET CA C 57.563 0.2 1 421 38 38 MET CB C 31.533 0.2 1 422 38 38 MET CG C 32.249 0.2 1 423 38 38 MET N N 118.071 0.1 1 424 39 39 LYS H H 7.58 0.02 1 425 39 39 LYS HA H 3.947 0.02 1 426 39 39 LYS HB2 H 1.492 0.02 2 427 39 39 LYS HB3 H 1.404 0.02 2 428 39 39 LYS HG2 H 1.215 0.02 2 429 39 39 LYS HG3 H 1.13 0.02 2 430 39 39 LYS HD2 H 1.568 0.02 2 431 39 39 LYS HD3 H 1.568 0.02 2 432 39 39 LYS HE2 H 2.81 0.02 2 433 39 39 LYS HE3 H 2.81 0.02 2 434 39 39 LYS C C 177.456 0.2 1 435 39 39 LYS CA C 58.012 0.2 1 436 39 39 LYS CB C 31.773 0.2 1 437 39 39 LYS CG C 24.782 0.2 1 438 39 39 LYS CD C 29.386 0.2 1 439 39 39 LYS CE C 41.748 0.2 1 440 39 39 LYS N N 117.427 0.1 1 441 40 40 TYR H H 7.651 0.02 1 442 40 40 TYR HA H 4.53 0.02 1 443 40 40 TYR HB2 H 3.355 0.02 2 444 40 40 TYR HB3 H 2.574 0.02 2 445 40 40 TYR HD1 H 7.12 0.02 3 446 40 40 TYR HE1 H 6.728 0.02 3 447 40 40 TYR C C 175.635 0.2 1 448 40 40 TYR CA C 58.398 0.2 1 449 40 40 TYR CB C 39.49 0.2 1 450 40 40 TYR CD1 C 135.631 0.2 3 451 40 40 TYR CE1 C 119.939 0.2 3 452 40 40 TYR N N 116.049 0.1 1 453 41 41 GLN H H 7.001 0.02 1 454 41 41 GLN HA H 4.333 0.02 1 455 41 41 GLN HB2 H 2.098 0.02 2 456 41 41 GLN HB3 H 2.057 0.02 2 457 41 41 GLN HG2 H 2.413 0.02 2 458 41 41 GLN HG3 H 2.352 0.02 2 459 41 41 GLN HE21 H 7.233 0.02 2 460 41 41 GLN HE22 H 6.734 0.02 2 461 41 41 GLN C C 175.887 0.2 1 462 41 41 GLN CA C 58.586 0.2 1 463 41 41 GLN CB C 29.047 0.2 1 464 41 41 GLN CG C 33.701 0.2 1 465 41 41 GLN N N 116.626 0.1 1 466 41 41 GLN NE2 N 110.622 0.1 1 467 42 42 ASN H H 8.281 0.02 1 468 42 42 ASN HA H 4.862 0.02 1 469 42 42 ASN HB2 H 2.931 0.02 2 470 42 42 ASN HB3 H 2.644 0.02 2 471 42 42 ASN HD21 H 7.471 0.02 2 472 42 42 ASN HD22 H 6.817 0.02 2 473 42 42 ASN C C 173.784 0.2 1 474 42 42 ASN CA C 52.532 0.2 1 475 42 42 ASN CB C 38.588 0.2 1 476 42 42 ASN N N 114.491 0.1 1 477 42 42 ASN ND2 N 112.438 0.1 1 478 43 43 ASP H H 7.96 0.02 1 479 43 43 ASP HA H 4.755 0.02 1 480 43 43 ASP HB2 H 3.476 0.02 2 481 43 43 ASP HB3 H 2.446 0.02 2 482 43 43 ASP C C 174.773 0.2 1 483 43 43 ASP CA C 52.607 0.2 1 484 43 43 ASP CB C 41.369 0.2 1 485 43 43 ASP N N 122.981 0.1 1 486 44 44 LYS H H 8.361 0.02 1 487 44 44 LYS HA H 3.86 0.02 1 488 44 44 LYS HB2 H 1.871 0.02 2 489 44 44 LYS HB3 H 1.814 0.02 2 490 44 44 LYS HG2 H 1.487 0.02 2 491 44 44 LYS HG3 H 1.448 0.02 2 492 44 44 LYS HD2 H 1.711 0.02 2 493 44 44 LYS HD3 H 1.648 0.02 2 494 44 44 LYS HE2 H 3.037 0.02 2 495 44 44 LYS HE3 H 3.037 0.02 2 496 44 44 LYS C C 177.796 0.2 1 497 44 44 LYS CA C 59.796 0.2 1 498 44 44 LYS CB C 32.536 0.2 1 499 44 44 LYS CG C 24.657 0.2 1 500 44 44 LYS CD C 28.805 0.2 1 501 44 44 LYS CE C 42.163 0.2 1 502 44 44 LYS N N 125.893 0.1 1 503 45 45 GLU H H 8.127 0.02 1 504 45 45 GLU HA H 4.067 0.02 1 505 45 45 GLU HB2 H 2.003 0.02 2 506 45 45 GLU HB3 H 1.882 0.02 2 507 45 45 GLU HG2 H 2.333 0.02 2 508 45 45 GLU HG3 H 2.192 0.02 2 509 45 45 GLU C C 178.724 0.2 1 510 45 45 GLU CA C 59.455 0.2 1 511 45 45 GLU CB C 29.757 0.2 1 512 45 45 GLU CG C 36.77 0.2 1 513 45 45 GLU N N 116.698 0.1 1 514 46 46 VAL H H 7.452 0.02 1 515 46 46 VAL HA H 3.414 0.02 1 516 46 46 VAL HB H 1.934 0.02 1 517 46 46 VAL HG1 H 0.362 0.02 2 518 46 46 VAL HG2 H 0.748 0.02 2 519 46 46 VAL C C 177.879 0.2 1 520 46 46 VAL CA C 66.43 0.2 1 521 46 46 VAL CB C 32.028 0.2 1 522 46 46 VAL CG1 C 21.255 0.2 2 523 46 46 VAL CG2 C 23.039 0.2 2 524 46 46 VAL N N 117.476 0.1 1 525 47 47 MET H H 8.542 0.02 1 526 47 47 MET HA H 4.479 0.02 1 527 47 47 MET HB2 H 2.105 0.02 2 528 47 47 MET HB3 H 1.984 0.02 2 529 47 47 MET HG2 H 2.789 0.02 2 530 47 47 MET HG3 H 2.667 0.02 2 531 47 47 MET C C 179.307 0.2 1 532 47 47 MET CA C 56.809 0.2 1 533 47 47 MET CB C 30.371 0.2 1 534 47 47 MET CG C 32.29 0.2 1 535 47 47 MET N N 117.027 0.1 1 536 48 48 ASP H H 8.58 0.02 1 537 48 48 ASP HA H 4.492 0.02 1 538 48 48 ASP HB2 H 2.874 0.02 2 539 48 48 ASP HB3 H 2.578 0.02 2 540 48 48 ASP C C 179.136 0.2 1 541 48 48 ASP CA C 57.571 0.2 1 542 48 48 ASP CB C 40.453 0.2 1 543 48 48 ASP N N 119.811 0.1 1 544 49 49 VAL H H 7.319 0.02 1 545 49 49 VAL HA H 3.638 0.02 1 546 49 49 VAL HB H 2.162 0.02 1 547 49 49 VAL HG1 H 0.8 0.02 2 548 49 49 VAL HG2 H 1.036 0.02 2 549 49 49 VAL C C 177.777 0.2 1 550 49 49 VAL CA C 66.457 0.2 1 551 49 49 VAL CB C 31.066 0.2 1 552 49 49 VAL CG1 C 21.629 0.2 2 553 49 49 VAL CG2 C 23.288 0.2 2 554 49 49 VAL N N 118.816 0.1 1 555 50 50 PHE H H 8.529 0.02 1 556 50 50 PHE HA H 4.136 0.02 1 557 50 50 PHE HB2 H 3.136 0.02 2 558 50 50 PHE HB3 H 3.136 0.02 2 559 50 50 PHE HD1 H 7.091 0.02 3 560 50 50 PHE HE1 H 6.983 0.02 3 561 50 50 PHE C C 178.505 0.2 1 562 50 50 PHE CA C 61.54 0.2 1 563 50 50 PHE CB C 38.309 0.2 1 564 50 50 PHE CD1 C 133.015 0.2 3 565 50 50 PHE CE1 C 131.149 0.2 3 566 50 50 PHE N N 120.305 0.1 1 567 51 51 ASN H H 8.886 0.02 1 568 51 51 ASN HA H 4.415 0.02 1 569 51 51 ASN HB2 H 3.012 0.02 2 570 51 51 ASN HB3 H 2.821 0.02 2 571 51 51 ASN HD21 H 7.604 0.02 2 572 51 51 ASN HD22 H 6.782 0.02 2 573 51 51 ASN C C 177.863 0.2 1 574 51 51 ASN CA C 56.168 0.2 1 575 51 51 ASN CB C 38.309 0.2 1 576 51 51 ASN N N 117.888 0.1 1 577 51 51 ASN ND2 N 111.391 0.1 1 578 52 52 LYS H H 7.76 0.02 1 579 52 52 LYS HA H 4.11 0.02 1 580 52 52 LYS HB2 H 2.024 0.02 2 581 52 52 LYS HB3 H 1.869 0.02 2 582 52 52 LYS HG2 H 1.618 0.02 2 583 52 52 LYS HG3 H 1.525 0.02 2 584 52 52 LYS HD2 H 1.489 0.02 2 585 52 52 LYS HD3 H 1.489 0.02 2 586 52 52 LYS HE2 H 2.921 0.02 2 587 52 52 LYS HE3 H 2.921 0.02 2 588 52 52 LYS C C 179.002 0.2 1 589 52 52 LYS CA C 58.974 0.2 1 590 52 52 LYS CB C 32.055 0.2 1 591 52 52 LYS CG C 25.113 0.2 1 592 52 52 LYS CD C 28.474 0.2 1 593 52 52 LYS CE C 41.883 0.2 1 594 52 52 LYS N N 120.12 0.1 1 595 53 53 ILE H H 8.4 0.02 1 596 53 53 ILE HA H 3.757 0.02 1 597 53 53 ILE HB H 1.959 0.02 1 598 53 53 ILE HG12 H 1.731 0.02 2 599 53 53 ILE HG13 H 1.127 0.02 2 600 53 53 ILE HG2 H 0.915 0.02 1 601 53 53 ILE HD1 H 0.74 0.02 1 602 53 53 ILE C C 177.686 0.2 1 603 53 53 ILE CA C 65.041 0.2 1 604 53 53 ILE CB C 37.667 0.2 1 605 53 53 ILE CG1 C 28.757 0.2 1 606 53 53 ILE CG2 C 17.273 0.2 1 607 53 53 ILE CD1 C 13.446 0.2 1 608 53 53 ILE N N 117.988 0.1 1 609 54 54 SER H H 8.042 0.02 1 610 54 54 SER HA H 4.05 0.02 1 611 54 54 SER HB2 H 3.92 0.02 2 612 54 54 SER HB3 H 3.795 0.02 2 613 54 54 SER C C 175.69 0.2 1 614 54 54 SER CA C 61.417 0.2 1 615 54 54 SER CB C 62.922 0.2 1 616 54 54 SER N N 114.267 0.1 1 617 55 55 GLN H H 7.415 0.02 1 618 55 55 GLN HA H 4.14 0.02 1 619 55 55 GLN HB2 H 2.116 0.02 2 620 55 55 GLN HB3 H 2.116 0.02 2 621 55 55 GLN HG2 H 2.518 0.02 2 622 55 55 GLN HG3 H 2.364 0.02 2 623 55 55 GLN HE21 H 7.269 0.02 2 624 55 55 GLN HE22 H 6.71 0.02 2 625 55 55 GLN C C 177.193 0.2 1 626 55 55 GLN CA C 57.082 0.2 1 627 55 55 GLN CB C 28.72 0.2 1 628 55 55 GLN CG C 33.838 0.2 1 629 55 55 GLN N N 118.045 0.1 1 630 55 55 GLN NE2 N 111.088 0.1 1 631 56 56 LEU H H 7.732 0.02 1 632 56 56 LEU HA H 4.033 0.02 1 633 56 56 LEU HB2 H 1.604 0.02 2 634 56 56 LEU HB3 H 0.97 0.02 2 635 56 56 LEU HG H 1.628 0.02 1 636 56 56 LEU HD1 H 0.755 0.02 2 637 56 56 LEU HD2 H 0.712 0.02 2 638 56 56 LEU C C 176.578 0.2 1 639 56 56 LEU CA C 55.905 0.2 1 640 56 56 LEU CB C 42.549 0.2 1 641 56 56 LEU CG C 26.53 0.2 1 642 56 56 LEU CD1 C 22.462 0.2 2 643 56 56 LEU CD2 C 25.16 0.2 2 644 56 56 LEU N N 118.492 0.1 1 645 57 57 PHE H H 7.629 0.02 1 646 57 57 PHE HA H 4.892 0.02 1 647 57 57 PHE HB2 H 3.087 0.02 2 648 57 57 PHE HB3 H 2.941 0.02 2 649 57 57 PHE HD1 H 7.14 0.02 3 650 57 57 PHE HE1 H 7.277 0.02 3 651 57 57 PHE C C 173.125 0.2 1 652 57 57 PHE CA C 55.211 0.2 1 653 57 57 PHE CB C 39.023 0.2 1 654 57 57 PHE CD1 C 134.615 0.2 3 655 57 57 PHE CE1 C 130.826 0.2 3 656 57 57 PHE N N 116.774 0.1 1 657 58 58 PRO HA H 4.48 0.02 1 658 58 58 PRO HB2 H 2.289 0.02 2 659 58 58 PRO HB3 H 2.289 0.02 2 660 58 58 PRO HG2 H 1.998 0.02 2 661 58 58 PRO HG3 H 1.94 0.02 2 662 58 58 PRO HD2 H 3.553 0.02 2 663 58 58 PRO HD3 H 3.553 0.02 2 664 58 58 PRO C C 178.09 0.2 1 665 58 58 PRO CA C 63.972 0.2 1 666 58 58 PRO CB C 30.927 0.2 1 667 58 58 PRO CG C 27.165 0.2 1 668 58 58 PRO CD C 50.208 0.2 1 669 59 59 GLY H H 8.411 0.02 1 670 59 59 GLY HA2 H 3.965 0.02 1 671 59 59 GLY HA3 H 3.965 0.02 1 672 59 59 GLY C C 174.93 0.2 1 673 59 59 GLY CA C 45.384 0.2 1 674 59 59 GLY N N 108.335 0.1 1 675 60 60 MET H H 8.053 0.02 1 676 60 60 MET HA H 4.467 0.02 1 677 60 60 MET HB2 H 2.138 0.02 2 678 60 60 MET HB3 H 2.123 0.02 2 679 60 60 MET HG2 H 2.573 0.02 2 680 60 60 MET HG3 H 2.505 0.02 2 681 60 60 MET C C 176.32 0.2 1 682 60 60 MET CA C 56.395 0.2 1 683 60 60 MET CB C 32.964 0.2 1 684 60 60 MET CG C 32.18 0.2 1 685 60 60 MET N N 119.206 0.1 1 686 61 61 THR H H 7.88 0.02 1 687 61 61 THR HA H 4.402 0.02 1 688 61 61 THR HB H 4.329 0.02 1 689 61 61 THR HG2 H 1.159 0.02 1 690 61 61 THR C C 173.976 0.2 1 691 61 61 THR CA C 61.233 0.2 1 692 61 61 THR CB C 70.12 0.2 1 693 61 61 THR CG2 C 21.22 0.2 1 694 61 61 THR N N 111.041 0.1 1 695 62 62 GLY H H 7.785 0.02 1 696 62 62 GLY HA2 H 3.761 0.02 1 697 62 62 GLY HA3 H 3.761 0.02 1 698 62 62 GLY C C 178.809 0.2 1 699 62 62 GLY CA C 46.094 0.2 1 700 62 62 GLY N N 116.361 0.1 1 stop_ save_