data_26580 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Structure of herpesvirus nuclear egress complex subunit M50 ; _BMRB_accession_number 26580 _BMRB_flat_file_name bmr26580.str _Entry_type original _Submission_date 2015-06-01 _Accession_date 2015-06-01 _Entry_origination author _NMR_STAR_version 2.1.1 _Experimental_method NMR _Details 'Solution-state NMR structure of residues 1 to 168 of nuclear egress subunit M50 from murine cytomegalovirus' loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Leigh Kendra E. . 2 Boeszoermenyi Andras . . 3 Mansueto My S. . 4 Sharma Mayuri . . 5 Filman David J. . 6 Coen Donald M. . 7 Wagner Gerhard . . 8 Hogle James M. . 9 Arthanari Haribabu . . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 2 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 849 "13C chemical shifts" 707 "15N chemical shifts" 162 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2017-01-13 update BMRB 'update entry citation' 2015-07-13 original author 'original release' stop_ _Original_release_date 2015-07-13 save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full . _Citation_title ; Structure of a herpesvirus nuclear egress complex subunit reveals an interaction groove that is essential for viral replication ; _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 26150520 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Leigh Kendra E. . 2 Sharma Mayuri . . 3 Mansueto 'My Sam' . . 4 Boeszoermenyi Andras . . 5 Filman David J. . 6 Hogle James M. . 7 Wagner Gerhard . . 8 Coen Donald M. . 9 Arthanari Haribabu . . stop_ _Journal_abbreviation 'Proc. Natl. Acad. Sci. U. S. A.' _Journal_volume 112 _Journal_issue 29 _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 9010 _Page_last 9015 _Year 2015 _Details . save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name 'nuclear egress subunit M50 from murine cytomegalovirus' _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label M50 $M50 stop_ _System_molecular_weight 19379.2143 _System_physical_state native _System_oligomer_state ? _System_paramagnetic no _System_thiol_state 'all free' _Database_query_date . _Details . save_ ######################## # Monomeric polymers # ######################## save_M50 _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common M50 _Molecular_mass 19379.2143 _Mol_thiol_state 'all free' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 171 _Mol_residue_sequence ; AGHMEIDKNVGADLISNTRR ILRLDENELRITDTALICKN PNYSLCDAMLTTDIVYPVEY LLSYWECRSGRTACFVFKNT GCRVSLSCYIGFPERLKDLK RVCDFNFLSVNEALVVTLAD IERIKPCDKGVLTNCVVRKS NSGMSYNIEVVAFGPDNEAE YQALLRDIYAR ; loop_ _Residue_seq_code _Residue_label 1 ALA 2 GLY 3 HIS 4 MET 5 GLU 6 ILE 7 ASP 8 LYS 9 ASN 10 VAL 11 GLY 12 ALA 13 ASP 14 LEU 15 ILE 16 SER 17 ASN 18 THR 19 ARG 20 ARG 21 ILE 22 LEU 23 ARG 24 LEU 25 ASP 26 GLU 27 ASN 28 GLU 29 LEU 30 ARG 31 ILE 32 THR 33 ASP 34 THR 35 ALA 36 LEU 37 ILE 38 CYS 39 LYS 40 ASN 41 PRO 42 ASN 43 TYR 44 SER 45 LEU 46 CYS 47 ASP 48 ALA 49 MET 50 LEU 51 THR 52 THR 53 ASP 54 ILE 55 VAL 56 TYR 57 PRO 58 VAL 59 GLU 60 TYR 61 LEU 62 LEU 63 SER 64 TYR 65 TRP 66 GLU 67 CYS 68 ARG 69 SER 70 GLY 71 ARG 72 THR 73 ALA 74 CYS 75 PHE 76 VAL 77 PHE 78 LYS 79 ASN 80 THR 81 GLY 82 CYS 83 ARG 84 VAL 85 SER 86 LEU 87 SER 88 CYS 89 TYR 90 ILE 91 GLY 92 PHE 93 PRO 94 GLU 95 ARG 96 LEU 97 LYS 98 ASP 99 LEU 100 LYS 101 ARG 102 VAL 103 CYS 104 ASP 105 PHE 106 ASN 107 PHE 108 LEU 109 SER 110 VAL 111 ASN 112 GLU 113 ALA 114 LEU 115 VAL 116 VAL 117 THR 118 LEU 119 ALA 120 ASP 121 ILE 122 GLU 123 ARG 124 ILE 125 LYS 126 PRO 127 CYS 128 ASP 129 LYS 130 GLY 131 VAL 132 LEU 133 THR 134 ASN 135 CYS 136 VAL 137 VAL 138 ARG 139 LYS 140 SER 141 ASN 142 SER 143 GLY 144 MET 145 SER 146 TYR 147 ASN 148 ILE 149 GLU 150 VAL 151 VAL 152 ALA 153 PHE 154 GLY 155 PRO 156 ASP 157 ASN 158 GLU 159 ALA 160 GLU 161 TYR 162 GLN 163 ALA 164 LEU 165 LEU 166 ARG 167 ASP 168 ILE 169 TYR 170 ALA 171 ARG stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date . 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 UNP H2A365_MUHV1 H2A365 . . . . . 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 $M50 'Murine cytomegalovirus' 10366 Viruses . Murine cytomegalovirus Smith 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 $M50 'recombinant technology' 'ESCHERICHIA COLI BL21(DE3)' . . 'BL21(DE3) RIPL' 'IMPACT-CN pTYB12' stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_M50_TL _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $M50 0.23 mM '[U-13C; U-15N]' NaPO4 25 mM 'natural abundance' NaCl 150 mM 'natural abundance' DTT 1 mM 'natural abundance' stop_ save_ save_M50_DL _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $M50 0.23 mM '[U-13C; U-15N]' NaPO4 25 mM 'natural abundance' NaCl 150 mM 'natural abundance' DTT 1 mM 'natural abundance' stop_ save_ save_M50_DL_60%deut _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $M50 0.23 mM '[U-13C; U-15N]' NaPO4 25 mM 'natural abundance' NaCl 150 mM 'natural abundance' DTT 1 mM 'natural abundance' stop_ save_ save_M50_ILV _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $M50 0.23 mM '[U-13C; U-15N]' NaPO4 25 mM 'natural abundance' NaCl 150 mM 'natural abundance' DTT 1 mM 'natural abundance' stop_ save_ save_sample_new_1 _Saveframe_category sample _Sample_type solution _Details 'M50 230 umol/l' loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $M50 230 uM '[U-13C; U-15N]' NaPO4 25 mM 'natural abundance' NaCl 150 mM 'natural abundance' DTT 1 mM 'natural abundance' stop_ save_ ############################ # Computer software used # ############################ save_AMBER _Saveframe_category software _Name AMBER _Version WeNMR-GRID loop_ _Vendor _Address _Electronic_address AMPS-NMR . . stop_ loop_ _Task 'RDC and Waterbox Refinement' stop_ _Details . save_ save_CARA _Saveframe_category software _Name CARA _Version 1.8.4 loop_ _Vendor _Address _Electronic_address 'N. Schaefer' . . stop_ loop_ _Task 'Resonance Assignment and Peak Picking' stop_ _Details . save_ save_CYANA _Saveframe_category software _Name CYANA _Version 3.0 loop_ _Vendor _Address _Electronic_address 'Guntert, Mumentaler, and Wuthrich' . . stop_ loop_ _Task 'Simulated Annealing' stop_ _Details . save_ save_CcpNmr_Analysis _Saveframe_category software _Name CcpNmr_Analysis _Version 2.4 loop_ _Vendor _Address _Electronic_address CCPN 'Department of Biochemistry, Cambridge CB2 1GA, UK' http://www.ccpn.ac.uk stop_ loop_ _Task '4D Analysis' stop_ _Details 'The CCPN NMR assignment and data analysis application' save_ save_TALOS+ _Saveframe_category software _Name TALOS+ _Version 1.2009.0605.17 loop_ _Vendor _Address _Electronic_address 'Shen, Cornilescu, Delaglio, and Bax' . . stop_ loop_ _Task 'Generation of Dihedral Angle Restraints' stop_ _Details . save_ save_hmsIST _Saveframe_category software _Name hmsIST _Version 2.11 loop_ _Vendor _Address _Electronic_address 'S. Hyberts' . . stop_ loop_ _Task 'Processing of Non Uniformly Sampled Spectra' stop_ _Details . save_ save_nmrDraw _Saveframe_category software _Name nmrDraw _Version 11 loop_ _Vendor _Address _Electronic_address 'F. Delaglio' . . stop_ loop_ _Task 'Spectrum Display' stop_ _Details . save_ save_nmrPipe _Saveframe_category software _Name nmrPipe _Version 11 loop_ _Vendor _Address _Electronic_address 'F. Delaglio' . . stop_ loop_ _Task 'Spectrum Processing' stop_ _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_Bruker_750 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model Avance _Field_strength 750 _Details . save_ save_Bruker_900 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model Avance _Field_strength 900 _Details . save_ save_Bruker_600 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model Avance _Field_strength 600 _Details . save_ save_Varian_600 _Saveframe_category NMR_spectrometer _Manufacturer Varian _Model dd2 _Field_strength 600 _Details . save_ save_BRUKER_AVANCE-750 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model AVANCE _Field_strength 750 _Details . save_ save_VARIAN_UNITYINOVA-600 _Saveframe_category NMR_spectrometer _Manufacturer Varian _Model UNITYINOVA _Field_strength 600 _Details . save_ ############################# # NMR applied experiments # ############################# save_15N_TROSY_1 _Saveframe_category NMR_applied_experiment _Experiment_name 15N_TROSY _Sample_label $M50_TL save_ save_TROSY_HNCA_2 _Saveframe_category NMR_applied_experiment _Experiment_name TROSY_HNCA _Sample_label $M50_TL save_ save_TROSY_HNCACB_3 _Saveframe_category NMR_applied_experiment _Experiment_name TROSY_HNCACB _Sample_label $M50_TL save_ save_15NNOESYhsqc_4 _Saveframe_category NMR_applied_experiment _Experiment_name 15NNOESYhsqc _Sample_label $M50_DL save_ save_TROSY_HNCACO_5 _Saveframe_category NMR_applied_experiment _Experiment_name TROSY_HNCACO _Sample_label $M50_TL save_ save_HCCONH_6 _Saveframe_category NMR_applied_experiment _Experiment_name HCCONH _Sample_label $M50_DL_60%deut save_ save_CCONH_7 _Saveframe_category NMR_applied_experiment _Experiment_name CCONH _Sample_label $M50_DL_60%deut save_ save_HCCH-TOCSY_8 _Saveframe_category NMR_applied_experiment _Experiment_name HCCH-TOCSY _Sample_label $M50_DL_60%deut save_ save_13CHSQC_9 _Saveframe_category NMR_applied_experiment _Experiment_name 13CHSQC _Sample_label $M50_DL save_ save_13NOESYhsqc_10 _Saveframe_category NMR_applied_experiment _Experiment_name 13NOESYhsqc _Sample_label $M50_DL save_ save_15N_ILV_NOESY_11 _Saveframe_category NMR_applied_experiment _Experiment_name 15N_ILV_NOESY _Sample_label $M50_ILV save_ save_13C_ILV_NOESY_12 _Saveframe_category NMR_applied_experiment _Experiment_name 13C_ILV_NOESY _Sample_label $M50_ILV save_ save_4D_13CHMQC-NOESY-HMQC_13 _Saveframe_category NMR_applied_experiment _Experiment_name '4D 13CHMQC-NOESY-HMQC' _Sample_label $M50_ILV save_ save_RDC_HNCO_14 _Saveframe_category NMR_applied_experiment _Experiment_name RDC_HNCO _Sample_label $M50_TL save_ save_TROSY_HNCO_15 _Saveframe_category NMR_applied_experiment _Experiment_name TROSY_HNCO _Sample_label $M50_TL save_ save_TROSY_HNCOCA_16 _Saveframe_category NMR_applied_experiment _Experiment_name TROSY_HNCOCA _Sample_label $M50_TL save_ save_13C_ILV_HSQC_17 _Saveframe_category NMR_applied_experiment _Experiment_name 13C_ILV_HSQC _Sample_label $M50_ILV save_ save_15N_TROSY_18 _Saveframe_category NMR_applied_experiment _Experiment_name '15N TROSY' _Sample_label $sample_new_1 save_ save_TROSY_HNCA_19 _Saveframe_category NMR_applied_experiment _Experiment_name 'TROSY HNCA' _Sample_label $sample_new_1 save_ save_TROSY_HNCACB_20 _Saveframe_category NMR_applied_experiment _Experiment_name 'TROSY HNCACB' _Sample_label $sample_new_1 save_ save_TROSY_HNCACO_21 _Saveframe_category NMR_applied_experiment _Experiment_name 'TROSY HNCACO' _Sample_label $sample_new_1 save_ ####################### # Sample conditions # ####################### save_1 _Saveframe_category sample_conditions _Details '25mM NaPO4, pH 6.5, 150 mM NaCl, 1 mM DTT' loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units 'ionic strength' 175.000 . mM pH 6.500 . pH pressure 1.000 . atm temperature 291.150 . K stop_ save_ save_2 _Saveframe_category sample_conditions _Details 'Condition 1 in D2O' loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units 'ionic strength' 175.000 . mM pH 6.500 . pH pressure 1.000 . atm temperature 291.150 . K stop_ save_ save_3 _Saveframe_category sample_conditions _Details 'Conditon 1 + 10 mg/ml Pf1 phage' loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units 'ionic strength' 175.000 . mM pH 6.500 . pH pressure 1.000 . atm temperature 291.150 . 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 internal indirect . . . . H2O H 1 protons ppm 4.7 internal direct . . . 1 DSS N 15 'methyl protons' ppm 0 internal indirect . . . . 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 'Origin xeasy file /Users/andrasboeszoermenyi/Desktop/M50_Paper/M50_May27th_2015_1.prot' loop_ _Software_label $CARA stop_ loop_ _Experiment_label 15N_TROSY TROSY_HNCA TROSY_HNCACB 15NNOESYhsqc TROSY_HNCACO HCCONH CCONH HCCH-TOCSY 13CHSQC 13NOESYhsqc 15N_ILV_NOESY 13C_ILV_NOESY '4D 13CHMQC-NOESY-HMQC' RDC_HNCO TROSY_HNCO TROSY_HNCOCA stop_ loop_ _Sample_label $M50_TL $M50_DL $M50_DL_60%deut $M50_ILV stop_ _Sample_conditions_label $1 _Chem_shift_reference_set_label $chemical_shift_reference_1 _Mol_system_component_name M50 _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 3 3 HIS H H 8.358 . 1 2 3 3 HIS C C 174.904 . 1 3 3 3 HIS CA C 55.700 . 1 4 3 3 HIS CB C 29.982 . 1 5 3 3 HIS N N 119.603 . 1 6 4 4 MET H H 8.353 . 1 7 4 4 MET HA H 4.320 . 1 8 4 4 MET HB2 H 1.911 . 1 9 4 4 MET HB3 H 1.911 . 1 10 4 4 MET HG2 H 2.363 . 1 11 4 4 MET HG3 H 2.363 . 1 12 4 4 MET HE H 1.807 . 1 13 4 4 MET C C 175.599 . 1 14 4 4 MET CA C 54.774 . 1 15 4 4 MET CB C 32.599 . 1 16 4 4 MET N N 122.517 . 1 17 5 5 GLU H H 8.329 . 1 18 5 5 GLU HA H 4.187 . 1 19 5 5 GLU HB2 H 1.856 . 1 20 5 5 GLU HB3 H 1.856 . 1 21 5 5 GLU HG2 H 2.104 . 1 22 5 5 GLU HG3 H 2.104 . 1 23 5 5 GLU C C 176.268 . 1 24 5 5 GLU CA C 56.036 . 1 25 5 5 GLU CB C 30.000 . 1 26 5 5 GLU CG C 35.939 . 1 27 5 5 GLU N N 122.995 . 1 28 6 6 ILE H H 8.078 . 1 29 6 6 ILE HA H 4.067 . 1 30 6 6 ILE HB H 1.654 . 1 31 6 6 ILE HG12 H 1.014 . 1 32 6 6 ILE HG2 H 1.328 . 1 33 6 6 ILE HD1 H 0.657 . 1 34 6 6 ILE C C 174.932 . 1 35 6 6 ILE CA C 59.849 . 1 36 6 6 ILE CB C 38.546 . 1 37 6 6 ILE CG1 C 26.596 . 1 38 6 6 ILE CG2 C 16.639 . 1 39 6 6 ILE CD1 C 12.771 . 1 40 6 6 ILE N N 121.992 . 1 41 7 7 ASP H H 8.134 . 1 42 7 7 ASP HA H 4.448 . 1 43 7 7 ASP HB2 H 2.553 . 2 44 7 7 ASP HB3 H 2.675 . 2 45 7 7 ASP C C 176.990 . 1 46 7 7 ASP CA C 53.469 . 1 47 7 7 ASP CB C 42.090 . 1 48 7 7 ASP N N 125.720 . 1 49 8 8 LYS H H 8.526 . 1 50 8 8 LYS HA H 3.945 . 1 51 8 8 LYS HB2 H 1.708 . 1 52 8 8 LYS HB3 H 1.708 . 1 53 8 8 LYS HG2 H 1.289 . 1 54 8 8 LYS HG3 H 1.289 . 1 55 8 8 LYS HD2 H 1.525 . 1 56 8 8 LYS HD3 H 1.525 . 1 57 8 8 LYS HE2 H 2.845 . 1 58 8 8 LYS HE3 H 2.845 . 1 59 8 8 LYS C C 178.286 . 1 60 8 8 LYS CA C 58.484 . 1 61 8 8 LYS CB C 31.646 . 1 62 8 8 LYS CG C 23.679 . 1 63 8 8 LYS CD C 28.882 . 1 64 8 8 LYS CE C 41.295 . 1 65 8 8 LYS N N 123.362 . 1 66 9 9 ASN H H 8.417 . 1 67 9 9 ASN HA H 4.399 . 1 68 9 9 ASN HB2 H 2.717 . 1 69 9 9 ASN HB3 H 2.717 . 1 70 9 9 ASN C C 177.126 . 1 71 9 9 ASN CA C 55.010 . 1 72 9 9 ASN CB C 37.568 . 1 73 9 9 ASN N N 118.958 . 1 74 10 10 VAL H H 7.658 . 1 75 10 10 VAL HA H 3.303 . 1 76 10 10 VAL HB H 2.033 . 1 77 10 10 VAL HG1 H 0.542 . 2 78 10 10 VAL HG2 H 0.910 . 2 79 10 10 VAL C C 177.771 . 1 80 10 10 VAL CA C 65.781 . 1 81 10 10 VAL CB C 31.021 . 1 82 10 10 VAL CG1 C 20.508 . 2 83 10 10 VAL CG2 C 22.177 . 2 84 10 10 VAL N N 122.426 . 1 85 11 11 GLY H H 8.137 . 1 86 11 11 GLY HA2 H 3.661 . 1 87 11 11 GLY HA3 H 3.661 . 1 88 11 11 GLY C C 174.677 . 1 89 11 11 GLY CA C 46.876 . 1 90 11 11 GLY N N 106.010 . 1 91 12 12 ALA H H 7.831 . 1 92 12 12 ALA HA H 3.912 . 1 93 12 12 ALA HB H 1.320 . 1 94 12 12 ALA C C 180.667 . 1 95 12 12 ALA CA C 54.760 . 1 96 12 12 ALA CB C 17.704 . 1 97 12 12 ALA N N 122.212 . 1 98 13 13 ASP H H 7.597 . 1 99 13 13 ASP HA H 4.315 . 1 100 13 13 ASP HB2 H 2.602 . 1 101 13 13 ASP HB3 H 2.602 . 1 102 13 13 ASP C C 179.316 . 1 103 13 13 ASP CA C 56.680 . 1 104 13 13 ASP CB C 40.588 . 1 105 13 13 ASP N N 120.402 . 1 106 14 14 LEU H H 8.290 . 1 107 14 14 LEU HA H 4.348 . 1 108 14 14 LEU HB2 H 2.334 . 1 109 14 14 LEU HB3 H 2.334 . 1 110 14 14 LEU HG H 1.260 . 1 111 14 14 LEU HD1 H -0.252 . 2 112 14 14 LEU HD2 H -0.175 . 2 113 14 14 LEU C C 180.737 . 1 114 14 14 LEU CA C 58.168 . 1 115 14 14 LEU CB C 39.390 . 1 116 14 14 LEU CD1 C 22.382 . 2 117 14 14 LEU CD2 C 25.009 . 2 118 14 14 LEU N N 121.419 . 1 119 15 15 ILE H H 8.278 . 1 120 15 15 ILE HG12 H 1.021 . 1 121 15 15 ILE HD1 H 0.656 . 1 122 15 15 ILE C C 177.633 . 1 123 15 15 ILE CA C 65.003 . 1 124 15 15 ILE CB C 36.991 . 1 125 15 15 ILE CG2 C 17.090 . 1 126 15 15 ILE CD1 C 12.614 . 1 127 15 15 ILE N N 122.852 . 1 128 16 16 SER H H 8.228 . 1 129 16 16 SER HA H 3.988 . 1 130 16 16 SER HB2 H 3.863 . 1 131 16 16 SER HB3 H 3.863 . 1 132 16 16 SER C C 178.480 . 1 133 16 16 SER CA C 61.203 . 1 134 16 16 SER CB C 62.685 . 1 135 16 16 SER N N 115.015 . 1 136 17 17 ASN H H 8.263 . 1 137 17 17 ASN HA H 4.385 . 1 138 17 17 ASN HB2 H 2.551 . 1 139 17 17 ASN HB3 H 2.551 . 1 140 17 17 ASN C C 176.742 . 1 141 17 17 ASN CA C 56.444 . 1 142 17 17 ASN CB C 38.793 . 1 143 17 17 ASN N N 118.402 . 1 144 18 18 THR H H 8.016 . 1 145 18 18 THR HA H 3.979 . 1 146 18 18 THR HB H 3.817 . 1 147 18 18 THR HG2 H 0.920 . 1 148 18 18 THR CA C 68.273 . 1 149 18 18 THR CB C 68.152 . 1 150 18 18 THR N N 120.492 . 1 151 19 19 ARG H H 7.698 . 1 152 19 19 ARG HA H 4.418 . 1 153 19 19 ARG HD2 H 3.023 . 1 154 19 19 ARG HD3 H 3.023 . 1 155 19 19 ARG C C 177.712 . 1 156 19 19 ARG CA C 60.122 . 1 157 19 19 ARG CB C 29.184 . 1 158 19 19 ARG CG C 27.889 . 1 159 19 19 ARG CD C 43.178 . 1 160 19 19 ARG N N 119.698 . 1 161 20 20 ARG H H 7.313 . 1 162 20 20 ARG HA H 3.997 . 1 163 20 20 ARG HB2 H 1.701 . 1 164 20 20 ARG HB3 H 1.701 . 1 165 20 20 ARG HG2 H 1.561 . 1 166 20 20 ARG HG3 H 1.561 . 1 167 20 20 ARG HD2 H 3.123 . 1 168 20 20 ARG HD3 H 3.123 . 1 169 20 20 ARG C C 179.582 . 1 170 20 20 ARG CA C 58.511 . 1 171 20 20 ARG CB C 30.962 . 1 172 20 20 ARG CG C 26.876 . 1 173 20 20 ARG CD C 42.846 . 1 174 20 20 ARG N N 116.493 . 1 175 21 21 ILE H H 8.701 . 1 176 21 21 ILE HA H 3.624 . 1 177 21 21 ILE HB H 1.831 . 1 178 21 21 ILE HG12 H 0.896 . 1 179 21 21 ILE HG2 H 0.906 . 1 180 21 21 ILE HD1 H 0.499 . 1 181 21 21 ILE C C 176.917 . 1 182 21 21 ILE CA C 64.160 . 1 183 21 21 ILE CB C 37.268 . 1 184 21 21 ILE CG2 C 18.144 . 1 185 21 21 ILE CD1 C 13.007 . 1 186 21 21 ILE N N 120.429 . 1 187 22 22 LEU H H 7.657 . 1 188 22 22 LEU HA H 4.429 . 1 189 22 22 LEU HD1 H 0.177 . 2 190 22 22 LEU HD2 H 0.475 . 2 191 22 22 LEU C C 174.219 . 1 192 22 22 LEU CA C 54.194 . 1 193 22 22 LEU CB C 39.422 . 1 194 22 22 LEU CD1 C 25.367 . 2 195 22 22 LEU CD2 C 20.722 . 2 196 22 22 LEU N N 113.455 . 1 197 23 23 ARG H H 7.426 . 1 198 23 23 ARG HA H 3.790 . 1 199 23 23 ARG HB2 H 1.781 . 1 200 23 23 ARG HB3 H 1.781 . 1 201 23 23 ARG HG2 H 1.467 . 1 202 23 23 ARG HG3 H 1.467 . 1 203 23 23 ARG HD2 H 3.080 . 1 204 23 23 ARG HD3 H 3.080 . 1 205 23 23 ARG C C 175.510 . 1 206 23 23 ARG CA C 56.563 . 1 207 23 23 ARG CB C 26.241 . 1 208 23 23 ARG CG C 26.692 . 1 209 23 23 ARG CD C 43.510 . 1 210 23 23 ARG N N 116.490 . 1 211 24 24 LEU H H 7.838 . 1 212 24 24 LEU HA H 4.429 . 1 213 24 24 LEU HB2 H 1.479 . 1 214 24 24 LEU HB3 H 1.479 . 1 215 24 24 LEU HG H 1.396 . 1 216 24 24 LEU HD1 H 0.613 . 2 217 24 24 LEU HD2 H 0.674 . 2 218 24 24 LEU C C 177.666 . 1 219 24 24 LEU CA C 53.213 . 1 220 24 24 LEU CB C 43.173 . 1 221 24 24 LEU CD1 C 27.735 . 2 222 24 24 LEU CD2 C 21.941 . 2 223 24 24 LEU N N 117.889 . 1 224 25 25 ASP H H 9.054 . 1 225 25 25 ASP HA H 4.600 . 1 226 25 25 ASP HB2 H 2.617 . 1 227 25 25 ASP HB3 H 2.617 . 1 228 25 25 ASP C C 177.635 . 1 229 25 25 ASP CA C 52.920 . 1 230 25 25 ASP CB C 41.677 . 1 231 25 25 ASP N N 123.603 . 1 232 26 26 GLU H H 8.751 . 1 233 26 26 GLU HA H 3.697 . 1 234 26 26 GLU HB2 H 1.876 . 1 235 26 26 GLU HB3 H 1.876 . 1 236 26 26 GLU HG2 H 2.127 . 1 237 26 26 GLU HG3 H 2.127 . 1 238 26 26 GLU C C 177.870 . 1 239 26 26 GLU CA C 59.193 . 1 240 26 26 GLU CB C 29.161 . 1 241 26 26 GLU CG C 35.837 . 1 242 26 26 GLU N N 121.248 . 1 243 27 27 ASN H H 8.529 . 1 244 27 27 ASN HA H 4.556 . 1 245 27 27 ASN HB2 H 2.789 . 1 246 27 27 ASN HB3 H 2.789 . 1 247 27 27 ASN C C 176.157 . 1 248 27 27 ASN CA C 53.691 . 1 249 27 27 ASN CB C 37.324 . 1 250 27 27 ASN N N 114.149 . 1 251 28 28 GLU H H 7.629 . 1 252 28 28 GLU HA H 4.192 . 1 253 28 28 GLU HB2 H 1.957 . 1 254 28 28 GLU HB3 H 1.957 . 1 255 28 28 GLU HG2 H 2.231 . 1 256 28 28 GLU HG3 H 2.231 . 1 257 28 28 GLU C C 173.671 . 1 258 28 28 GLU CA C 55.830 . 1 259 28 28 GLU CB C 30.775 . 1 260 28 28 GLU CG C 37.106 . 1 261 28 28 GLU N N 118.122 . 1 262 29 29 LEU H H 7.085 . 1 263 29 29 LEU HA H 4.873 . 1 264 29 29 LEU HB2 H 1.730 . 1 265 29 29 LEU HB3 H 1.730 . 1 266 29 29 LEU HG H 1.171 . 1 267 29 29 LEU HD1 H 0.684 . 2 268 29 29 LEU HD2 H 0.637 . 2 269 29 29 LEU C C 174.621 . 1 270 29 29 LEU CA C 53.050 . 1 271 29 29 LEU CB C 44.251 . 1 272 29 29 LEU CD1 C 26.807 . 2 273 29 29 LEU CD2 C 23.320 . 2 274 29 29 LEU N N 120.567 . 1 275 30 30 ARG H H 8.900 . 1 276 30 30 ARG HA H 4.418 . 1 277 30 30 ARG HB2 H 1.664 . 1 278 30 30 ARG HB3 H 1.664 . 1 279 30 30 ARG HG2 H 1.466 . 1 280 30 30 ARG HG3 H 1.466 . 1 281 30 30 ARG HD2 H 2.982 . 1 282 30 30 ARG HD3 H 2.982 . 1 283 30 30 ARG C C 175.313 . 1 284 30 30 ARG CA C 54.536 . 1 285 30 30 ARG CB C 30.936 . 1 286 30 30 ARG CG C 26.564 . 1 287 30 30 ARG CD C 42.846 . 1 288 30 30 ARG N N 128.665 . 1 289 31 31 ILE H H 8.574 . 1 290 31 31 ILE HA H 4.160 . 1 291 31 31 ILE HB H 1.611 . 1 292 31 31 ILE HG12 H 1.307 . 1 293 31 31 ILE HD1 H 0.714 . 1 294 31 31 ILE C C 175.980 . 1 295 31 31 ILE CA C 60.549 . 1 296 31 31 ILE CB C 39.572 . 1 297 31 31 ILE CG1 C 27.197 . 1 298 31 31 ILE CG2 C 17.799 . 1 299 31 31 ILE CD1 C 13.706 . 1 300 31 31 ILE N N 125.102 . 1 301 32 32 THR H H 7.821 . 1 302 32 32 THR HA H 4.155 . 1 303 32 32 THR HB H 3.962 . 1 304 32 32 THR HG2 H 1.033 . 1 305 32 32 THR C C 173.317 . 1 306 32 32 THR CA C 62.309 . 1 307 32 32 THR CB C 68.515 . 1 308 32 32 THR CG2 C 22.193 . 1 309 32 32 THR N N 125.971 . 1 310 33 33 ASP H H 8.350 . 1 311 33 33 ASP HA H 4.371 . 1 312 33 33 ASP HB2 H 2.546 . 1 313 33 33 ASP HB3 H 2.546 . 1 314 33 33 ASP C C 177.503 . 1 315 33 33 ASP CA C 54.205 . 1 316 33 33 ASP CB C 41.648 . 1 317 33 33 ASP N N 125.457 . 1 318 34 34 THR H H 8.157 . 1 319 34 34 THR HA H 3.706 . 1 320 34 34 THR HB H 4.036 . 1 321 34 34 THR HG2 H 1.081 . 1 322 34 34 THR C C 175.840 . 1 323 34 34 THR CA C 64.195 . 1 324 34 34 THR CB C 68.046 . 1 325 34 34 THR CG2 C 21.816 . 1 326 34 34 THR N N 119.372 . 1 327 35 35 ALA H H 8.342 . 1 328 35 35 ALA HA H 4.049 . 1 329 35 35 ALA HB H 1.269 . 1 330 35 35 ALA C C 179.698 . 1 331 35 35 ALA CA C 54.015 . 1 332 35 35 ALA CB C 18.126 . 1 333 35 35 ALA N N 124.078 . 1 334 36 36 LEU H H 7.448 . 1 335 36 36 LEU HA H 4.006 . 1 336 36 36 LEU HB2 H 1.589 . 1 337 36 36 LEU HB3 H 1.589 . 1 338 36 36 LEU HG H 1.388 . 1 339 36 36 LEU HD1 H 0.585 . 2 340 36 36 LEU HD2 H 0.709 . 2 341 36 36 LEU C C 178.159 . 1 342 36 36 LEU CA C 56.077 . 1 343 36 36 LEU CB C 40.768 . 1 344 36 36 LEU CD1 C 22.952 . 2 345 36 36 LEU CD2 C 24.430 . 2 346 36 36 LEU N N 117.275 . 1 347 37 37 ILE H H 7.160 . 1 348 37 37 ILE HA H 4.074 . 1 349 37 37 ILE HB H 1.835 . 1 350 37 37 ILE HG12 H 1.102 . 1 351 37 37 ILE HD1 H 0.694 . 1 352 37 37 ILE C C 177.087 . 1 353 37 37 ILE CA C 61.877 . 1 354 37 37 ILE CB C 37.498 . 1 355 37 37 ILE CD1 C 13.021 . 1 356 37 37 ILE N N 117.795 . 1 357 38 38 CYS H H 7.803 . 1 358 38 38 CYS HA H 4.122 . 1 359 38 38 CYS HB2 H 2.853 . 1 360 38 38 CYS HB3 H 2.853 . 1 361 38 38 CYS C C 175.191 . 1 362 38 38 CYS CA C 60.248 . 1 363 38 38 CYS CB C 27.893 . 1 364 38 38 CYS N N 117.818 . 1 365 39 39 LYS H H 7.435 . 1 366 39 39 LYS HA H 4.139 . 1 367 39 39 LYS HB2 H 1.686 . 1 368 39 39 LYS HB3 H 1.686 . 1 369 39 39 LYS HG2 H 1.309 . 1 370 39 39 LYS HG3 H 1.309 . 1 371 39 39 LYS HD2 H 1.539 . 1 372 39 39 LYS HD3 H 1.539 . 1 373 39 39 LYS HE2 H 2.865 . 1 374 39 39 LYS HE3 H 2.865 . 1 375 39 39 LYS C C 176.317 . 1 376 39 39 LYS CA C 56.744 . 1 377 39 39 LYS CB C 32.575 . 1 378 39 39 LYS CG C 24.341 . 1 379 39 39 LYS CD C 28.879 . 1 380 39 39 LYS CE C 41.798 . 1 381 39 39 LYS N N 118.674 . 1 382 40 40 ASN H H 7.965 . 1 383 40 40 ASN HA H 4.886 . 1 384 40 40 ASN HB2 H 2.599 . 1 385 40 40 ASN HB3 H 2.599 . 1 386 40 40 ASN C C 172.675 . 1 387 40 40 ASN CA C 49.903 . 1 388 40 40 ASN CB C 39.158 . 1 389 40 40 ASN N N 117.845 . 1 390 42 42 ASN H H 8.085 . 1 391 42 42 ASN HA H 4.530 . 1 392 42 42 ASN HB2 H 2.493 . 1 393 42 42 ASN HB3 H 2.493 . 1 394 42 42 ASN C C 174.864 . 1 395 42 42 ASN CA C 53.667 . 1 396 42 42 ASN CB C 38.645 . 1 397 42 42 ASN N N 115.917 . 1 398 43 43 TYR H H 7.443 . 1 399 43 43 TYR HA H 4.674 . 1 400 43 43 TYR HB2 H 3.037 . 1 401 43 43 TYR HB3 H 3.037 . 1 402 43 43 TYR C C 174.606 . 1 403 43 43 TYR CA C 56.035 . 1 404 43 43 TYR CB C 39.152 . 1 405 43 43 TYR N N 119.328 . 1 406 44 44 SER H H 8.155 . 1 407 44 44 SER HA H 4.684 . 1 408 44 44 SER C C 174.605 . 1 409 44 44 SER CA C 57.176 . 1 410 44 44 SER CB C 62.492 . 1 411 44 44 SER N N 116.477 . 1 412 45 45 LEU H H 8.486 . 1 413 45 45 LEU HA H 4.229 . 1 414 45 45 LEU HB2 H 1.880 . 1 415 45 45 LEU HB3 H 1.880 . 1 416 45 45 LEU HG H 1.572 . 1 417 45 45 LEU HD1 H 0.888 . 2 418 45 45 LEU HD2 H 0.713 . 2 419 45 45 LEU CA C 56.901 . 1 420 45 45 LEU CB C 42.446 . 1 421 45 45 LEU CD1 C 24.195 . 2 422 45 45 LEU CD2 C 26.266 . 2 423 45 45 LEU N N 123.075 . 1 424 46 46 CYS H H 7.178 . 1 425 46 46 CYS HA H 5.171 . 1 426 46 46 CYS HB2 H 2.586 . 1 427 46 46 CYS HB3 H 2.586 . 1 428 46 46 CYS C C 170.995 . 1 429 46 46 CYS CA C 54.970 . 1 430 46 46 CYS CB C 30.792 . 1 431 46 46 CYS N N 108.079 . 1 432 47 47 ASP H H 8.621 . 1 433 47 47 ASP HA H 5.362 . 1 434 47 47 ASP HB2 H 2.116 . 1 435 47 47 ASP HB3 H 2.116 . 1 436 47 47 ASP C C 173.834 . 1 437 47 47 ASP CA C 51.894 . 1 438 47 47 ASP CB C 43.310 . 1 439 47 47 ASP N N 119.554 . 1 440 48 48 ALA H H 9.473 . 1 441 48 48 ALA HA H 4.907 . 1 442 48 48 ALA HB H 0.831 . 1 443 48 48 ALA C C 175.815 . 1 444 48 48 ALA CA C 49.125 . 1 445 48 48 ALA CB C 21.918 . 1 446 48 48 ALA N N 126.853 . 1 447 49 49 MET H H 8.590 . 1 448 49 49 MET HA H 4.433 . 1 449 49 49 MET HB2 H 2.278 . 1 450 49 49 MET HB3 H 2.278 . 1 451 49 49 MET HG2 H 2.577 . 1 452 49 49 MET HG3 H 2.577 . 1 453 49 49 MET HE H 1.939 . 1 454 49 49 MET C C 174.727 . 1 455 49 49 MET CA C 53.347 . 1 456 49 49 MET CB C 31.421 . 1 457 49 49 MET N N 122.039 . 1 458 50 50 LEU H H 7.970 . 1 459 50 50 LEU HA H 4.335 . 1 460 50 50 LEU HB2 H 1.586 . 1 461 50 50 LEU HB3 H 1.586 . 1 462 50 50 LEU HG H 1.281 . 1 463 50 50 LEU HD1 H 0.440 . 2 464 50 50 LEU HD2 H -0.155 . 2 465 50 50 LEU C C 177.519 . 1 466 50 50 LEU CA C 53.495 . 1 467 50 50 LEU CB C 40.805 . 1 468 50 50 LEU CD1 C 25.486 . 2 469 50 50 LEU CD2 C 18.794 . 2 470 50 50 LEU N N 121.143 . 1 471 51 51 THR H H 8.885 . 1 472 51 51 THR HA H 4.605 . 1 473 51 51 THR HB H 3.879 . 1 474 51 51 THR HG2 H 1.333 . 1 475 51 51 THR C C 173.604 . 1 476 51 51 THR CA C 61.253 . 1 477 51 51 THR CB C 70.539 . 1 478 51 51 THR CG2 C 20.034 . 1 479 51 51 THR N N 121.832 . 1 480 52 52 THR H H 8.252 . 1 481 52 52 THR HA H 4.140 . 1 482 52 52 THR HB H 4.275 . 1 483 52 52 THR HG2 H 1.220 . 1 484 52 52 THR C C 174.421 . 1 485 52 52 THR CA C 62.447 . 1 486 52 52 THR CB C 68.998 . 1 487 52 52 THR CG2 C 22.951 . 1 488 52 52 THR N N 118.274 . 1 489 53 53 ASP H H 9.119 . 1 490 53 53 ASP HA H 4.699 . 1 491 53 53 ASP HB2 H 2.741 . 1 492 53 53 ASP HB3 H 2.741 . 1 493 53 53 ASP C C 174.146 . 1 494 53 53 ASP CA C 56.741 . 1 495 53 53 ASP CB C 38.826 . 1 496 53 53 ASP N N 114.595 . 1 497 54 54 ILE H H 7.737 . 1 498 54 54 ILE HA H 4.050 . 1 499 54 54 ILE HB H 1.363 . 1 500 54 54 ILE HG12 H 1.047 . 1 501 54 54 ILE HG2 H 0.105 . 1 502 54 54 ILE HD1 H 0.592 . 1 503 54 54 ILE C C 174.674 . 1 504 54 54 ILE CA C 57.971 . 1 505 54 54 ILE CB C 38.198 . 1 506 54 54 ILE CG1 C 26.520 . 1 507 54 54 ILE CG2 C 16.325 . 1 508 54 54 ILE CD1 C 10.058 . 1 509 54 54 ILE N N 121.247 . 1 510 55 55 VAL H H 8.119 . 1 511 55 55 VAL HA H 3.720 . 1 512 55 55 VAL HB H 1.734 . 1 513 55 55 VAL HG1 H 0.740 . 2 514 55 55 VAL HG2 H 0.587 . 2 515 55 55 VAL C C 175.376 . 1 516 55 55 VAL CA C 62.266 . 1 517 55 55 VAL CB C 30.638 . 1 518 55 55 VAL CG1 C 20.487 . 2 519 55 55 VAL CG2 C 22.199 . 2 520 55 55 VAL N N 124.474 . 1 521 56 56 TYR H H 8.944 . 1 522 56 56 TYR HA H 5.163 . 1 523 56 56 TYR HB2 H 2.895 . 1 524 56 56 TYR HB3 H 2.895 . 1 525 56 56 TYR C C 176.676 . 1 526 56 56 TYR CA C 54.259 . 1 527 56 56 TYR CB C 40.247 . 1 528 56 56 TYR N N 125.438 . 1 529 58 58 VAL H H 8.364 . 1 530 58 58 VAL HA H 3.459 . 1 531 58 58 VAL HB H 2.009 . 1 532 58 58 VAL HG1 H 0.830 . 2 533 58 58 VAL HG2 H 0.949 . 2 534 58 58 VAL CA C 66.800 . 1 535 58 58 VAL CB C 32.010 . 1 536 58 58 VAL CG1 C 20.691 . 2 537 58 58 VAL CG2 C 23.211 . 2 538 58 58 VAL N N 124.890 . 1 539 59 59 GLU H H 7.813 . 1 540 59 59 GLU HA H 4.697 . 1 541 59 59 GLU HB2 H 1.950 . 1 542 59 59 GLU HB3 H 1.950 . 1 543 59 59 GLU C C 177.683 . 1 544 59 59 GLU CA C 60.479 . 1 545 59 59 GLU CB C 29.031 . 1 546 59 59 GLU N N 121.203 . 1 547 60 60 TYR H H 8.984 . 1 548 60 60 TYR HA H 4.010 . 1 549 60 60 TYR HB2 H 3.055 . 1 550 60 60 TYR HB3 H 3.055 . 1 551 60 60 TYR C C 177.609 . 1 552 60 60 TYR CA C 60.758 . 1 553 60 60 TYR CB C 38.049 . 1 554 60 60 TYR N N 120.453 . 1 555 61 61 LEU H H 8.157 . 1 556 61 61 LEU HB2 H 1.765 . 1 557 61 61 LEU HB3 H 1.765 . 1 558 61 61 LEU HD1 H 1.156 . 2 559 61 61 LEU HD2 H 0.674 . 2 560 61 61 LEU C C 178.330 . 1 561 61 61 LEU CA C 57.838 . 1 562 61 61 LEU CB C 41.837 . 1 563 61 61 LEU CD1 C 24.053 . 2 564 61 61 LEU CD2 C 26.029 . 2 565 61 61 LEU N N 119.525 . 1 566 62 62 LEU H H 8.590 . 1 567 62 62 LEU HD1 H -0.536 . 2 568 62 62 LEU HD2 H 0.176 . 2 569 62 62 LEU C C 178.995 . 1 570 62 62 LEU CA C 57.940 . 1 571 62 62 LEU CB C 42.519 . 1 572 62 62 LEU CG C 27.116 . 1 573 62 62 LEU CD1 C 21.934 . 2 574 62 62 LEU CD2 C 25.926 . 2 575 62 62 LEU N N 120.474 . 1 576 63 63 SER H H 8.037 . 1 577 63 63 SER HA H 3.986 . 1 578 63 63 SER HB2 H 3.857 . 1 579 63 63 SER HB3 H 3.857 . 1 580 63 63 SER C C 176.488 . 1 581 63 63 SER CA C 61.653 . 1 582 63 63 SER CB C 62.708 . 1 583 63 63 SER N N 114.249 . 1 584 64 64 TYR H H 8.564 . 1 585 64 64 TYR C C 177.264 . 1 586 64 64 TYR CA C 62.125 . 1 587 64 64 TYR CB C 37.845 . 1 588 64 64 TYR N N 124.401 . 1 589 65 65 TRP H H 8.918 . 1 590 65 65 TRP HB2 H 3.378 . 1 591 65 65 TRP HB3 H 3.378 . 1 592 65 65 TRP C C 180.515 . 1 593 65 65 TRP CA C 61.859 . 1 594 65 65 TRP CB C 27.565 . 1 595 65 65 TRP N N 120.055 . 1 596 66 66 GLU H H 8.230 . 1 597 66 66 GLU HA H 3.704 . 1 598 66 66 GLU HB2 H 1.885 . 1 599 66 66 GLU HB3 H 1.885 . 1 600 66 66 GLU HG2 H 2.425 . 1 601 66 66 GLU HG3 H 2.425 . 1 602 66 66 GLU C C 179.582 . 1 603 66 66 GLU CA C 59.752 . 1 604 66 66 GLU CB C 28.613 . 1 605 66 66 GLU CG C 36.885 . 1 606 66 66 GLU N N 121.354 . 1 607 67 67 CYS H H 8.307 . 1 608 67 67 CYS HA H 3.927 . 1 609 67 67 CYS HB2 H 2.721 . 1 610 67 67 CYS HB3 H 2.721 . 1 611 67 67 CYS C C 177.230 . 1 612 67 67 CYS CA C 62.057 . 1 613 67 67 CYS CB C 26.059 . 1 614 67 67 CYS N N 120.248 . 1 615 68 68 ARG H H 8.330 . 1 616 68 68 ARG HD2 H 3.029 . 1 617 68 68 ARG HD3 H 3.029 . 1 618 68 68 ARG C C 177.648 . 1 619 68 68 ARG CA C 55.840 . 1 620 68 68 ARG CB C 28.517 . 1 621 68 68 ARG CD C 41.170 . 1 622 68 68 ARG N N 117.497 . 1 623 69 69 SER H H 7.869 . 1 624 69 69 SER HA H 4.110 . 1 625 69 69 SER HB2 H 3.513 . 1 626 69 69 SER HB3 H 3.513 . 1 627 69 69 SER C C 175.447 . 1 628 69 69 SER CA C 59.201 . 1 629 69 69 SER CB C 65.552 . 1 630 69 69 SER N N 110.500 . 1 631 70 70 GLY H H 7.817 . 1 632 70 70 GLY HA2 H 4.408 . 1 633 70 70 GLY HA3 H 4.408 . 1 634 70 70 GLY C C 173.122 . 1 635 70 70 GLY CA C 45.694 . 1 636 70 70 GLY N N 112.723 . 1 637 71 71 ARG H H 7.930 . 1 638 71 71 ARG HA H 4.580 . 1 639 71 71 ARG HB2 H 1.793 . 1 640 71 71 ARG HB3 H 1.793 . 1 641 71 71 ARG HG2 H 1.439 . 1 642 71 71 ARG HG3 H 1.439 . 1 643 71 71 ARG HD2 H 2.990 . 1 644 71 71 ARG HD3 H 2.990 . 1 645 71 71 ARG C C 174.522 . 1 646 71 71 ARG CA C 52.949 . 1 647 71 71 ARG CB C 32.967 . 1 648 71 71 ARG CG C 25.957 . 1 649 71 71 ARG CD C 42.736 . 1 650 71 71 ARG N N 120.267 . 1 651 72 72 THR H H 7.842 . 1 652 72 72 THR HA H 3.976 . 1 653 72 72 THR HB H 3.830 . 1 654 72 72 THR HG2 H 1.097 . 1 655 72 72 THR C C 172.962 . 1 656 72 72 THR CA C 62.311 . 1 657 72 72 THR CB C 69.482 . 1 658 72 72 THR CG2 C 21.124 . 1 659 72 72 THR N N 114.509 . 1 660 73 73 ALA H H 8.224 . 1 661 73 73 ALA HA H 4.965 . 1 662 73 73 ALA HB H 1.289 . 1 663 73 73 ALA C C 176.342 . 1 664 73 73 ALA CA C 50.257 . 1 665 73 73 ALA CB C 22.065 . 1 666 73 73 ALA N N 126.798 . 1 667 74 74 CYS H H 8.081 . 1 668 74 74 CYS HA H 4.367 . 1 669 74 74 CYS C C 172.377 . 1 670 74 74 CYS CA C 57.518 . 1 671 74 74 CYS CB C 28.878 . 1 672 74 74 CYS N N 121.347 . 1 673 75 75 PHE H H 8.339 . 1 674 75 75 PHE HA H 5.896 . 1 675 75 75 PHE HB2 H 2.602 . 1 676 75 75 PHE HB3 H 2.602 . 1 677 75 75 PHE C C 174.359 . 1 678 75 75 PHE CA C 50.895 . 1 679 75 75 PHE CB C 39.879 . 1 680 75 75 PHE N N 126.797 . 1 681 76 76 VAL H H 9.066 . 1 682 76 76 VAL HA H 4.984 . 1 683 76 76 VAL HB H 1.866 . 1 684 76 76 VAL HG1 H 0.710 . 2 685 76 76 VAL HG2 H 0.752 . 2 686 76 76 VAL C C 177.445 . 1 687 76 76 VAL CA C 59.999 . 1 688 76 76 VAL CB C 35.518 . 1 689 76 76 VAL CG1 C 21.695 . 2 690 76 76 VAL CG2 C 22.910 . 2 691 76 76 VAL N N 121.023 . 1 692 77 77 PHE H H 9.309 . 1 693 77 77 PHE HA H 5.277 . 1 694 77 77 PHE HB2 H 2.453 . 1 695 77 77 PHE HB3 H 2.453 . 1 696 77 77 PHE C C 175.023 . 1 697 77 77 PHE CA C 56.446 . 1 698 77 77 PHE CB C 41.484 . 1 699 77 77 PHE N N 128.618 . 1 700 78 78 LYS H H 8.886 . 1 701 78 78 LYS HA H 5.100 . 1 702 78 78 LYS HG2 H 0.847 . 1 703 78 78 LYS HG3 H 0.847 . 1 704 78 78 LYS HD2 H 1.300 . 1 705 78 78 LYS HD3 H 1.300 . 1 706 78 78 LYS HE2 H 2.609 . 1 707 78 78 LYS HE3 H 2.609 . 1 708 78 78 LYS C C 174.897 . 1 709 78 78 LYS CA C 54.745 . 1 710 78 78 LYS CB C 36.220 . 1 711 78 78 LYS CG C 24.522 . 1 712 78 78 LYS CD C 28.625 . 1 713 78 78 LYS CE C 41.853 . 1 714 78 78 LYS N N 120.908 . 1 715 79 79 ASN H H 7.850 . 1 716 79 79 ASN HA H 4.797 . 1 717 79 79 ASN HB2 H 2.852 . 1 718 79 79 ASN HB3 H 2.852 . 1 719 79 79 ASN C C 175.985 . 1 720 79 79 ASN CA C 51.073 . 1 721 79 79 ASN CB C 37.936 . 1 722 79 79 ASN N N 121.783 . 1 723 80 80 THR H H 8.401 . 1 724 80 80 THR HA H 4.465 . 1 725 80 80 THR HG2 H 1.033 . 1 726 80 80 THR C C 175.201 . 1 727 80 80 THR CA C 61.239 . 1 728 80 80 THR CB C 69.354 . 1 729 80 80 THR CG2 C 21.277 . 1 730 80 80 THR N N 117.732 . 1 731 81 81 GLY H H 8.997 . 1 732 81 81 GLY HA2 H 3.394 . 1 733 81 81 GLY HA3 H 3.394 . 1 734 81 81 GLY C C 174.243 . 1 735 81 81 GLY CA C 45.670 . 1 736 81 81 GLY N N 113.578 . 1 737 82 82 CYS H H 8.205 . 1 738 82 82 CYS HA H 4.558 . 1 739 82 82 CYS HB2 H 2.870 . 1 740 82 82 CYS HB3 H 2.870 . 1 741 82 82 CYS C C 173.263 . 1 742 82 82 CYS CA C 58.004 . 1 743 82 82 CYS CB C 28.593 . 1 744 82 82 CYS N N 116.968 . 1 745 83 83 ARG H H 7.390 . 1 746 83 83 ARG HD2 H 3.071 . 1 747 83 83 ARG HD3 H 3.071 . 1 748 83 83 ARG C C 173.852 . 1 749 83 83 ARG CA C 54.184 . 1 750 83 83 ARG CB C 32.700 . 1 751 83 83 ARG CG C 25.791 . 1 752 83 83 ARG CD C 43.343 . 1 753 83 83 ARG N N 117.962 . 1 754 84 84 VAL H H 8.547 . 1 755 84 84 VAL HA H 4.732 . 1 756 84 84 VAL HB H 1.397 . 1 757 84 84 VAL HG1 H 0.673 . 2 758 84 84 VAL HG2 H -0.126 . 2 759 84 84 VAL C C 173.900 . 1 760 84 84 VAL CA C 60.494 . 1 761 84 84 VAL CB C 31.687 . 1 762 84 84 VAL CG1 C 21.843 . 2 763 84 84 VAL CG2 C 22.275 . 2 764 84 84 VAL N N 123.231 . 1 765 85 85 SER H H 8.957 . 1 766 85 85 SER HA H 5.112 . 1 767 85 85 SER HB2 H 3.449 . 1 768 85 85 SER HB3 H 3.449 . 1 769 85 85 SER C C 172.611 . 1 770 85 85 SER CA C 55.021 . 1 771 85 85 SER CB C 66.540 . 1 772 85 85 SER N N 120.779 . 1 773 86 86 LEU H H 9.108 . 1 774 86 86 LEU HA H 4.790 . 1 775 86 86 LEU HD1 H -0.504 . 2 776 86 86 LEU HD2 H -0.196 . 2 777 86 86 LEU C C 175.252 . 1 778 86 86 LEU CA C 52.112 . 1 779 86 86 LEU CB C 45.104 . 1 780 86 86 LEU CD1 C 21.961 . 2 781 86 86 LEU CD2 C 25.131 . 2 782 86 86 LEU N N 125.394 . 1 783 87 87 SER H H 9.160 . 1 784 87 87 SER HA H 4.980 . 1 785 87 87 SER HB2 H 3.502 . 1 786 87 87 SER HB3 H 3.502 . 1 787 87 87 SER C C 173.578 . 1 788 87 87 SER CA C 57.576 . 1 789 87 87 SER CB C 65.337 . 1 790 87 87 SER N N 124.332 . 1 791 88 88 CYS H H 8.017 . 1 792 88 88 CYS HA H 4.166 . 1 793 88 88 CYS C C 172.191 . 1 794 88 88 CYS CA C 58.181 . 1 795 88 88 CYS N N 123.723 . 1 796 89 89 TYR H H 8.678 . 1 797 89 89 TYR HA H 4.706 . 1 798 89 89 TYR HB2 H 3.169 . 1 799 89 89 TYR HB3 H 3.169 . 1 800 89 89 TYR C C 175.307 . 1 801 89 89 TYR CA C 57.277 . 1 802 89 89 TYR CB C 39.542 . 1 803 89 89 TYR N N 123.655 . 1 804 90 90 ILE H H 8.396 . 1 805 90 90 ILE HA H 4.521 . 1 806 90 90 ILE HB H 1.704 . 1 807 90 90 ILE HG12 H 1.139 . 1 808 90 90 ILE HD1 H 0.721 . 1 809 90 90 ILE C C 176.921 . 1 810 90 90 ILE CA C 60.325 . 1 811 90 90 ILE CB C 37.879 . 1 812 90 90 ILE CG1 C 27.075 . 1 813 90 90 ILE CG2 C 17.426 . 1 814 90 90 ILE CD1 C 12.912 . 1 815 90 90 ILE N N 120.055 . 1 816 91 91 GLY H H 8.370 . 1 817 91 91 GLY HA2 H 3.981 . 1 818 91 91 GLY HA3 H 3.981 . 1 819 91 91 GLY C C 170.022 . 1 820 91 91 GLY CA C 43.707 . 1 821 91 91 GLY N N 116.789 . 1 822 92 92 PHE H H 7.834 . 1 823 92 92 PHE HA H 4.574 . 1 824 92 92 PHE HB2 H 3.212 . 1 825 92 92 PHE HB3 H 3.212 . 1 826 92 92 PHE C C 173.071 . 1 827 92 92 PHE CA C 52.602 . 1 828 92 92 PHE CB C 38.816 . 1 829 92 92 PHE N N 117.052 . 1 830 94 94 GLU H H 8.489 . 1 831 94 94 GLU HA H 4.152 . 1 832 94 94 GLU HB2 H 1.871 . 1 833 94 94 GLU HB3 H 1.871 . 1 834 94 94 GLU HG2 H 2.170 . 1 835 94 94 GLU HG3 H 2.170 . 1 836 94 94 GLU C C 179.302 . 1 837 94 94 GLU CA C 58.966 . 1 838 94 94 GLU CB C 29.052 . 1 839 94 94 GLU CG C 35.361 . 1 840 94 94 GLU N N 124.965 . 1 841 95 95 ARG H H 8.402 . 1 842 95 95 ARG HA H 4.061 . 1 843 95 95 ARG HB2 H 1.579 . 1 844 95 95 ARG HB3 H 1.579 . 1 845 95 95 ARG HG2 H 1.235 . 1 846 95 95 ARG HG3 H 1.235 . 1 847 95 95 ARG HD2 H 3.007 . 1 848 95 95 ARG HD3 H 3.007 . 1 849 95 95 ARG C C 177.184 . 1 850 95 95 ARG CA C 56.812 . 1 851 95 95 ARG CB C 28.643 . 1 852 95 95 ARG CG C 26.343 . 1 853 95 95 ARG CD C 42.846 . 1 854 95 95 ARG N N 115.957 . 1 855 96 96 LEU H H 7.584 . 1 856 96 96 LEU HA H 4.233 . 1 857 96 96 LEU HB2 H 1.741 . 1 858 96 96 LEU HB3 H 1.741 . 1 859 96 96 LEU HG H 0.981 . 1 860 96 96 LEU HD1 H 0.388 . 2 861 96 96 LEU HD2 H -0.087 . 2 862 96 96 LEU C C 178.151 . 1 863 96 96 LEU CA C 54.182 . 1 864 96 96 LEU CB C 40.221 . 1 865 96 96 LEU CG C 28.220 . 1 866 96 96 LEU CD1 C 21.405 . 2 867 96 96 LEU CD2 C 25.327 . 2 868 96 96 LEU N N 118.563 . 1 869 97 97 LYS H H 7.384 . 1 870 97 97 LYS HA H 3.824 . 1 871 97 97 LYS HB2 H 1.616 . 1 872 97 97 LYS HB3 H 1.616 . 1 873 97 97 LYS HG2 H 0.988 . 1 874 97 97 LYS HG3 H 0.988 . 1 875 97 97 LYS HD2 H 1.316 . 1 876 97 97 LYS HD3 H 1.316 . 1 877 97 97 LYS HE2 H 2.609 . 1 878 97 97 LYS HE3 H 2.609 . 1 879 97 97 LYS C C 176.689 . 1 880 97 97 LYS CA C 58.877 . 1 881 97 97 LYS CB C 31.786 . 1 882 97 97 LYS CG C 24.964 . 1 883 97 97 LYS CD C 28.936 . 1 884 97 97 LYS CE C 41.522 . 1 885 97 97 LYS N N 118.626 . 1 886 98 98 ASP H H 7.875 . 1 887 98 98 ASP HA H 4.602 . 1 888 98 98 ASP HB2 H 2.534 . 1 889 98 98 ASP HB3 H 2.534 . 1 890 98 98 ASP C C 176.381 . 1 891 98 98 ASP CA C 53.623 . 1 892 98 98 ASP CB C 40.738 . 1 893 98 98 ASP N N 116.606 . 1 894 99 99 LEU H H 7.059 . 1 895 99 99 LEU HA H 4.251 . 1 896 99 99 LEU HB2 H 1.806 . 1 897 99 99 LEU HB3 H 1.806 . 1 898 99 99 LEU HG H 1.623 . 1 899 99 99 LEU HD1 H 0.757 . 2 900 99 99 LEU HD2 H 0.711 . 2 901 99 99 LEU C C 177.582 . 1 902 99 99 LEU CA C 54.575 . 1 903 99 99 LEU CB C 41.975 . 1 904 99 99 LEU CD1 C 23.051 . 2 905 99 99 LEU CD2 C 26.233 . 2 906 99 99 LEU N N 120.939 . 1 907 100 100 LYS H H 8.695 . 1 908 100 100 LYS HA H 4.111 . 1 909 100 100 LYS HB2 H 1.900 . 1 910 100 100 LYS HB3 H 1.900 . 1 911 100 100 LYS HG2 H 1.371 . 1 912 100 100 LYS HG3 H 1.371 . 1 913 100 100 LYS HD2 H 1.540 . 1 914 100 100 LYS HD3 H 1.540 . 1 915 100 100 LYS HE2 H 2.843 . 1 916 100 100 LYS HE3 H 2.843 . 1 917 100 100 LYS C C 174.793 . 1 918 100 100 LYS CA C 56.397 . 1 919 100 100 LYS CB C 32.598 . 1 920 100 100 LYS CG C 24.379 . 1 921 100 100 LYS CD C 29.931 . 1 922 100 100 LYS CE C 42.129 . 1 923 100 100 LYS N N 122.945 . 1 924 101 101 ARG H H 8.103 . 1 925 101 101 ARG HA H 4.951 . 1 926 101 101 ARG HB2 H 1.661 . 1 927 101 101 ARG HB3 H 1.661 . 1 928 101 101 ARG HG2 H 1.544 . 1 929 101 101 ARG HG3 H 1.544 . 1 930 101 101 ARG HD2 H 3.088 . 1 931 101 101 ARG HD3 H 3.088 . 1 932 101 101 ARG C C 178.078 . 1 933 101 101 ARG CA C 52.148 . 1 934 101 101 ARG CB C 31.342 . 1 935 101 101 ARG CD C 41.810 . 1 936 101 101 ARG N N 118.732 . 1 937 102 102 VAL H H 8.089 . 1 938 102 102 VAL HA H 4.568 . 1 939 102 102 VAL HB H 1.918 . 1 940 102 102 VAL HG1 H 0.796 . 1 941 102 102 VAL HG2 H 0.796 . 1 942 102 102 VAL C C 173.093 . 1 943 102 102 VAL CA C 62.433 . 1 944 102 102 VAL CB C 31.803 . 1 945 102 102 VAL CG1 C 21.207 . 2 946 102 102 VAL CG2 C 20.488 . 2 947 102 102 VAL N N 119.883 . 1 948 104 104 ASP H H 8.651 . 1 949 104 104 ASP HA H 4.228 . 1 950 104 104 ASP HB2 H 2.576 . 1 951 104 104 ASP HB3 H 2.576 . 1 952 104 104 ASP C C 175.364 . 1 953 104 104 ASP CA C 56.433 . 1 954 104 104 ASP CB C 39.847 . 1 955 104 104 ASP N N 120.154 . 1 956 105 105 PHE H H 7.646 . 1 957 105 105 PHE HA H 4.612 . 1 958 105 105 PHE HB2 H 2.831 . 1 959 105 105 PHE HB3 H 2.831 . 1 960 105 105 PHE C C 173.740 . 1 961 105 105 PHE CA C 57.275 . 1 962 105 105 PHE CB C 40.657 . 1 963 105 105 PHE N N 120.259 . 1 964 106 106 ASN H H 7.956 . 1 965 106 106 ASN HA H 4.818 . 1 966 106 106 ASN HB2 H 2.712 . 1 967 106 106 ASN HB3 H 2.712 . 1 968 106 106 ASN C C 172.426 . 1 969 106 106 ASN CA C 51.349 . 1 970 106 106 ASN CB C 40.956 . 1 971 106 106 ASN N N 122.869 . 1 972 108 108 LEU H H 8.864 . 1 973 108 108 LEU HA H 4.742 . 1 974 108 108 LEU HB2 H 1.520 . 1 975 108 108 LEU HB3 H 1.520 . 1 976 108 108 LEU HG H 1.271 . 1 977 108 108 LEU HD1 H 0.561 . 2 978 108 108 LEU HD2 H 0.569 . 2 979 108 108 LEU C C 176.876 . 1 980 108 108 LEU CA C 53.004 . 1 981 108 108 LEU CB C 45.017 . 1 982 108 108 LEU CD1 C 24.660 . 2 983 108 108 LEU CD2 C 25.287 . 2 984 108 108 LEU N N 125.731 . 1 985 109 109 SER H H 9.126 . 1 986 109 109 SER HA H 4.451 . 1 987 109 109 SER HB2 H 3.811 . 1 988 109 109 SER HB3 H 3.811 . 1 989 109 109 SER C C 173.832 . 1 990 109 109 SER CA C 57.709 . 1 991 109 109 SER CB C 63.704 . 1 992 109 109 SER N N 125.145 . 1 993 110 110 VAL H H 8.242 . 1 994 110 110 VAL HA H 3.202 . 1 995 110 110 VAL HB H 1.854 . 1 996 110 110 VAL HG1 H 0.765 . 2 997 110 110 VAL HG2 H 0.915 . 2 998 110 110 VAL C C 176.674 . 1 999 110 110 VAL CA C 65.653 . 1 1000 110 110 VAL CB C 30.644 . 1 1001 110 110 VAL CG1 C 20.116 . 2 1002 110 110 VAL CG2 C 22.108 . 2 1003 110 110 VAL N N 122.050 . 1 1004 111 111 ASN H H 8.524 . 1 1005 111 111 ASN HA H 4.222 . 1 1006 111 111 ASN HB2 H 2.973 . 1 1007 111 111 ASN HB3 H 2.973 . 1 1008 111 111 ASN C C 173.894 . 1 1009 111 111 ASN CA C 55.172 . 1 1010 111 111 ASN CB C 36.913 . 1 1011 111 111 ASN N N 119.543 . 1 1012 112 112 GLU H H 8.131 . 1 1013 112 112 GLU HA H 4.312 . 1 1014 112 112 GLU HB2 H 1.974 . 1 1015 112 112 GLU HB3 H 1.974 . 1 1016 112 112 GLU HG2 H 2.222 . 1 1017 112 112 GLU HG3 H 2.222 . 1 1018 112 112 GLU C C 173.874 . 1 1019 112 112 GLU CA C 56.024 . 1 1020 112 112 GLU CB C 31.109 . 1 1021 112 112 GLU CG C 36.830 . 1 1022 112 112 GLU N N 122.098 . 1 1023 113 113 ALA H H 7.966 . 1 1024 113 113 ALA HA H 5.580 . 1 1025 113 113 ALA HB H 1.119 . 1 1026 113 113 ALA C C 175.718 . 1 1027 113 113 ALA CA C 49.626 . 1 1028 113 113 ALA CB C 23.471 . 1 1029 113 113 ALA N N 124.867 . 1 1030 114 114 LEU H H 8.784 . 1 1031 114 114 LEU HA H 4.874 . 1 1032 114 114 LEU HB2 H 1.437 . 1 1033 114 114 LEU HB3 H 1.437 . 1 1034 114 114 LEU HG H 1.269 . 1 1035 114 114 LEU HD1 H 0.575 . 2 1036 114 114 LEU HD2 H 0.547 . 2 1037 114 114 LEU C C 175.130 . 1 1038 114 114 LEU CA C 52.892 . 1 1039 114 114 LEU CB C 47.433 . 1 1040 114 114 LEU CD1 C 25.083 . 2 1041 114 114 LEU CD2 C 25.867 . 2 1042 114 114 LEU N N 119.262 . 1 1043 115 115 VAL H H 8.881 . 1 1044 115 115 VAL HA H 4.551 . 1 1045 115 115 VAL HB H 1.734 . 1 1046 115 115 VAL HG1 H 0.750 . 2 1047 115 115 VAL HG2 H 0.825 . 2 1048 115 115 VAL C C 174.218 . 1 1049 115 115 VAL CA C 61.272 . 1 1050 115 115 VAL CB C 34.061 . 1 1051 115 115 VAL CG1 C 21.540 . 2 1052 115 115 VAL CG2 C 23.982 . 2 1053 115 115 VAL N N 124.985 . 1 1054 116 116 VAL H H 9.318 . 1 1055 116 116 VAL HA H 3.838 . 1 1056 116 116 VAL HB H 1.866 . 1 1057 116 116 VAL HG1 H 0.764 . 2 1058 116 116 VAL HG2 H 0.782 . 2 1059 116 116 VAL C C 172.485 . 1 1060 116 116 VAL CA C 61.964 . 1 1061 116 116 VAL CB C 34.312 . 1 1062 116 116 VAL CG1 C 21.074 . 2 1063 116 116 VAL CG2 C 22.031 . 2 1064 116 116 VAL N N 125.356 . 1 1065 117 117 THR H H 7.372 . 1 1066 117 117 THR HA H 4.434 . 1 1067 117 117 THR HG2 H 1.009 . 1 1068 117 117 THR C C 175.034 . 1 1069 117 117 THR CA C 58.998 . 1 1070 117 117 THR CB C 72.888 . 1 1071 117 117 THR CG2 C 21.266 . 1 1072 117 117 THR N N 114.570 . 1 1073 118 118 LEU H H 9.949 . 1 1074 118 118 LEU HB2 H 1.559 . 1 1075 118 118 LEU HB3 H 1.559 . 1 1076 118 118 LEU HG H 1.447 . 1 1077 118 118 LEU HD1 H 0.732 . 2 1078 118 118 LEU HD2 H 0.743 . 2 1079 118 118 LEU C C 178.506 . 1 1080 118 118 LEU CA C 57.871 . 1 1081 118 118 LEU CB C 40.482 . 1 1082 118 118 LEU CD1 C 24.160 . 2 1083 118 118 LEU CD2 C 24.528 . 2 1084 118 118 LEU N N 125.153 . 1 1085 119 119 ALA H H 8.330 . 1 1086 119 119 ALA HA H 3.963 . 1 1087 119 119 ALA HB H 1.217 . 1 1088 119 119 ALA C C 180.865 . 1 1089 119 119 ALA CA C 54.461 . 1 1090 119 119 ALA CB C 17.840 . 1 1091 119 119 ALA N N 121.071 . 1 1092 120 120 ASP H H 7.342 . 1 1093 120 120 ASP HA H 4.311 . 1 1094 120 120 ASP C C 178.348 . 1 1095 120 120 ASP CA C 57.271 . 1 1096 120 120 ASP CB C 42.119 . 1 1097 120 120 ASP N N 116.509 . 1 1098 121 121 ILE H H 7.556 . 1 1099 121 121 ILE HA H 3.415 . 1 1100 121 121 ILE HB H 1.866 . 1 1101 121 121 ILE HG12 H 0.898 . 1 1102 121 121 ILE HG2 H 0.620 . 1 1103 121 121 ILE HD1 H 0.423 . 1 1104 121 121 ILE C C 177.551 . 1 1105 121 121 ILE CA C 63.294 . 1 1106 121 121 ILE CB C 36.411 . 1 1107 121 121 ILE CG1 C 28.395 . 1 1108 121 121 ILE CG2 C 17.273 . 1 1109 121 121 ILE CD1 C 11.233 . 1 1110 121 121 ILE N N 119.999 . 1 1111 122 122 GLU H H 8.307 . 1 1112 122 122 GLU HA H 3.632 . 1 1113 122 122 GLU HB2 H 1.917 . 1 1114 122 122 GLU HB3 H 1.917 . 1 1115 122 122 GLU HG2 H 2.262 . 1 1116 122 122 GLU HG3 H 2.262 . 1 1117 122 122 GLU C C 178.151 . 1 1118 122 122 GLU CA C 58.919 . 1 1119 122 122 GLU CB C 28.893 . 1 1120 122 122 GLU CG C 36.134 . 1 1121 122 122 GLU N N 118.926 . 1 1122 123 123 ARG H H 7.105 . 1 1123 123 123 ARG HA H 4.413 . 1 1124 123 123 ARG HB2 H 1.859 . 1 1125 123 123 ARG HB3 H 1.859 . 1 1126 123 123 ARG HG2 H 1.585 . 1 1127 123 123 ARG HG3 H 1.585 . 1 1128 123 123 ARG HD2 H 3.156 . 1 1129 123 123 ARG HD3 H 3.156 . 1 1130 123 123 ARG C C 177.896 . 1 1131 123 123 ARG CA C 58.081 . 1 1132 123 123 ARG CB C 30.228 . 1 1133 123 123 ARG CG C 27.232 . 1 1134 123 123 ARG CD C 42.846 . 1 1135 123 123 ARG N N 116.295 . 1 1136 124 124 ILE H H 7.282 . 1 1137 124 124 ILE HA H 4.295 . 1 1138 124 124 ILE HB H 1.978 . 1 1139 124 124 ILE HG12 H 1.113 . 1 1140 124 124 ILE HG2 H 0.811 . 1 1141 124 124 ILE HD1 H 0.521 . 1 1142 124 124 ILE C C 176.744 . 1 1143 124 124 ILE CA C 60.581 . 1 1144 124 124 ILE CB C 38.863 . 1 1145 124 124 ILE CG1 C 26.000 . 1 1146 124 124 ILE CG2 C 18.413 . 1 1147 124 124 ILE CD1 C 14.023 . 1 1148 124 124 ILE N N 111.377 . 1 1149 125 125 LYS H H 7.588 . 1 1150 125 125 LYS CA C 54.557 . 1 1151 125 125 LYS CB C 31.327 . 1 1152 125 125 LYS N N 122.973 . 1 1153 127 127 CYS H H 7.842 . 1 1154 127 127 CYS HA H 4.448 . 1 1155 127 127 CYS HB2 H 2.739 . 1 1156 127 127 CYS HB3 H 2.739 . 1 1157 127 127 CYS C C 173.391 . 1 1158 127 127 CYS CA C 56.584 . 1 1159 127 127 CYS CB C 28.633 . 1 1160 127 127 CYS N N 117.280 . 1 1161 128 128 ASP H H 8.096 . 1 1162 128 128 ASP HA H 4.335 . 1 1163 128 128 ASP HB2 H 2.438 . 1 1164 128 128 ASP HB3 H 2.438 . 1 1165 128 128 ASP C C 175.876 . 1 1166 128 128 ASP CA C 53.996 . 1 1167 128 128 ASP CB C 41.430 . 1 1168 128 128 ASP N N 119.860 . 1 1169 129 129 LYS H H 8.165 . 1 1170 129 129 LYS HA H 3.959 . 1 1171 129 129 LYS HB2 H 1.669 . 1 1172 129 129 LYS HB3 H 1.669 . 1 1173 129 129 LYS HG2 H 1.287 . 1 1174 129 129 LYS HG3 H 1.287 . 1 1175 129 129 LYS HD2 H 1.490 . 1 1176 129 129 LYS HD3 H 1.490 . 1 1177 129 129 LYS HE2 H 2.841 . 1 1178 129 129 LYS HE3 H 2.841 . 1 1179 129 129 LYS C C 177.719 . 1 1180 129 129 LYS CA C 57.402 . 1 1181 129 129 LYS CB C 31.875 . 1 1182 129 129 LYS CG C 23.719 . 1 1183 129 129 LYS CD C 28.317 . 1 1184 129 129 LYS CE C 41.853 . 1 1185 129 129 LYS N N 121.044 . 1 1186 130 130 GLY H H 8.571 . 1 1187 130 130 GLY HA2 H 3.632 . 1 1188 130 130 GLY HA3 H 3.632 . 1 1189 130 130 GLY C C 173.710 . 1 1190 130 130 GLY CA C 44.974 . 1 1191 130 130 GLY N N 109.073 . 1 1192 131 131 VAL H H 7.364 . 1 1193 131 131 VAL HA H 4.015 . 1 1194 131 131 VAL HB H 1.908 . 1 1195 131 131 VAL HG1 H 0.755 . 2 1196 131 131 VAL HG2 H 0.724 . 2 1197 131 131 VAL C C 175.263 . 1 1198 131 131 VAL CA C 61.148 . 1 1199 131 131 VAL CB C 32.559 . 1 1200 131 131 VAL CG1 C 21.012 . 2 1201 131 131 VAL CG2 C 20.728 . 2 1202 131 131 VAL N N 120.649 . 1 1203 132 132 LEU H H 8.275 . 1 1204 132 132 LEU HA H 4.244 . 1 1205 132 132 LEU HD1 H 0.596 . 2 1206 132 132 LEU HD2 H 0.693 . 2 1207 132 132 LEU C C 176.668 . 1 1208 132 132 LEU CA C 53.956 . 1 1209 132 132 LEU CB C 42.901 . 1 1210 132 132 LEU CD1 C 22.679 . 2 1211 132 132 LEU CD2 C 25.466 . 2 1212 132 132 LEU N N 126.999 . 1 1213 133 133 THR H H 8.770 . 1 1214 133 133 THR HA H 4.437 . 1 1215 133 133 THR HB H 3.923 . 1 1216 133 133 THR HG2 H 0.936 . 1 1217 133 133 THR C C 174.224 . 1 1218 133 133 THR CA C 61.930 . 1 1219 133 133 THR CB C 70.936 . 1 1220 133 133 THR CG2 C 22.811 . 1 1221 133 133 THR N N 114.262 . 1 1222 134 134 ASN H H 8.903 . 1 1223 134 134 ASN HA H 5.500 . 1 1224 134 134 ASN HB2 H 2.216 . 1 1225 134 134 ASN HB3 H 2.216 . 1 1226 134 134 ASN C C 174.802 . 1 1227 134 134 ASN CA C 51.475 . 1 1228 134 134 ASN CB C 43.179 . 1 1229 134 134 ASN N N 122.071 . 1 1230 135 135 CYS H H 9.127 . 1 1231 135 135 CYS HA H 5.859 . 1 1232 135 135 CYS HB2 H 2.562 . 1 1233 135 135 CYS HB3 H 2.562 . 1 1234 135 135 CYS C C 172.604 . 1 1235 135 135 CYS CA C 56.817 . 1 1236 135 135 CYS CB C 31.794 . 1 1237 135 135 CYS N N 114.964 . 1 1238 136 136 VAL H H 8.775 . 1 1239 136 136 VAL HA H 4.546 . 1 1240 136 136 VAL HB H 1.738 . 1 1241 136 136 VAL HG1 H 0.697 . 2 1242 136 136 VAL HG2 H 0.674 . 2 1243 136 136 VAL C C 173.317 . 1 1244 136 136 VAL CA C 60.348 . 1 1245 136 136 VAL CB C 35.255 . 1 1246 136 136 VAL CG1 C 20.048 . 2 1247 136 136 VAL CG2 C 21.132 . 2 1248 136 136 VAL N N 121.740 . 1 1249 137 137 VAL H H 10.076 . 1 1250 137 137 VAL HA H 4.382 . 1 1251 137 137 VAL HB H 1.997 . 1 1252 137 137 VAL HG1 H 0.779 . 2 1253 137 137 VAL HG2 H 0.656 . 2 1254 137 137 VAL C C 174.993 . 1 1255 137 137 VAL CA C 61.199 . 1 1256 137 137 VAL CB C 31.325 . 1 1257 137 137 VAL CG1 C 20.364 . 2 1258 137 137 VAL CG2 C 22.474 . 2 1259 137 137 VAL N N 129.400 . 1 1260 138 138 ARG H H 9.112 . 1 1261 138 138 ARG HA H 4.888 . 1 1262 138 138 ARG HB2 H 1.795 . 1 1263 138 138 ARG HB3 H 1.795 . 1 1264 138 138 ARG HG2 H 1.542 . 1 1265 138 138 ARG HG3 H 1.542 . 1 1266 138 138 ARG HD2 H 3.061 . 1 1267 138 138 ARG HD3 H 3.061 . 1 1268 138 138 ARG C C 176.228 . 1 1269 138 138 ARG CA C 52.563 . 1 1270 138 138 ARG CB C 32.705 . 1 1271 138 138 ARG CG C 25.681 . 1 1272 138 138 ARG CD C 43.178 . 1 1273 138 138 ARG N N 125.282 . 1 1274 139 139 LYS H H 9.039 . 1 1275 139 139 LYS HA H 4.025 . 1 1276 139 139 LYS HB2 H 1.690 . 1 1277 139 139 LYS HB3 H 1.690 . 1 1278 139 139 LYS HG2 H 1.106 . 1 1279 139 139 LYS HG3 H 1.106 . 1 1280 139 139 LYS HD2 H 1.539 . 1 1281 139 139 LYS HD3 H 1.539 . 1 1282 139 139 LYS HE2 H 2.835 . 1 1283 139 139 LYS HE3 H 2.835 . 1 1284 139 139 LYS C C 176.676 . 1 1285 139 139 LYS CA C 56.204 . 1 1286 139 139 LYS CB C 32.713 . 1 1287 139 139 LYS CG C 24.412 . 1 1288 139 139 LYS CD C 28.772 . 1 1289 139 139 LYS CE C 41.963 . 1 1290 139 139 LYS N N 124.733 . 1 1291 140 140 SER H H 7.817 . 1 1292 140 140 SER HA H 4.339 . 1 1293 140 140 SER HB2 H 3.593 . 1 1294 140 140 SER HB3 H 3.593 . 1 1295 140 140 SER C C 174.881 . 1 1296 140 140 SER CA C 57.645 . 1 1297 140 140 SER CB C 63.932 . 1 1298 140 140 SER N N 121.139 . 1 1299 141 141 ASN H H 8.742 . 1 1300 141 141 ASN C C 175.718 . 1 1301 141 141 ASN CA C 54.653 . 1 1302 141 141 ASN CB C 37.909 . 1 1303 141 141 ASN N N 121.859 . 1 1304 142 142 SER H H 8.057 . 1 1305 142 142 SER C C 174.731 . 1 1306 142 142 SER CA C 57.521 . 1 1307 142 142 SER CB C 63.991 . 1 1308 142 142 SER N N 113.472 . 1 1309 143 143 GLY H H 8.065 . 1 1310 143 143 GLY HA2 H 3.950 . 1 1311 143 143 GLY HA3 H 3.950 . 1 1312 143 143 GLY C C 174.163 . 1 1313 143 143 GLY CA C 45.182 . 1 1314 143 143 GLY N N 111.117 . 1 1315 144 144 MET H H 8.252 . 1 1316 144 144 MET HA H 4.365 . 1 1317 144 144 MET HB2 H 2.151 . 1 1318 144 144 MET HB3 H 2.151 . 1 1319 144 144 MET HG2 H 2.471 . 1 1320 144 144 MET HG3 H 2.471 . 1 1321 144 144 MET C C 175.188 . 1 1322 144 144 MET CA C 54.600 . 1 1323 144 144 MET CB C 31.404 . 1 1324 144 144 MET CG C 31.842 . 1 1325 144 144 MET N N 120.165 . 1 1326 145 145 SER H H 7.290 . 1 1327 145 145 SER HA H 4.407 . 1 1328 145 145 SER HB2 H 3.384 . 1 1329 145 145 SER HB3 H 3.384 . 1 1330 145 145 SER C C 172.525 . 1 1331 145 145 SER CA C 57.255 . 1 1332 145 145 SER CB C 64.436 . 1 1333 145 145 SER N N 112.817 . 1 1334 146 146 TYR H H 7.743 . 1 1335 146 146 TYR HA H 4.913 . 1 1336 146 146 TYR HB2 H 2.647 . 1 1337 146 146 TYR HB3 H 2.647 . 1 1338 146 146 TYR C C 173.777 . 1 1339 146 146 TYR CA C 56.533 . 1 1340 146 146 TYR CB C 42.884 . 1 1341 146 146 TYR N N 118.363 . 1 1342 147 147 ASN H H 9.262 . 1 1343 147 147 ASN HA H 5.393 . 1 1344 147 147 ASN HB2 H 2.170 . 1 1345 147 147 ASN HB3 H 2.170 . 1 1346 147 147 ASN C C 174.471 . 1 1347 147 147 ASN CA C 51.093 . 1 1348 147 147 ASN CB C 41.283 . 1 1349 147 147 ASN N N 118.054 . 1 1350 148 148 ILE H H 8.092 . 1 1351 148 148 ILE HA H 4.558 . 1 1352 148 148 ILE HB H 1.808 . 1 1353 148 148 ILE HG12 H 1.237 . 1 1354 148 148 ILE HG2 H 0.686 . 1 1355 148 148 ILE HD1 H 0.065 . 1 1356 148 148 ILE C C 175.270 . 1 1357 148 148 ILE CA C 58.715 . 1 1358 148 148 ILE CB C 37.769 . 1 1359 148 148 ILE CG1 C 26.376 . 1 1360 148 148 ILE CG2 C 16.633 . 1 1361 148 148 ILE CD1 C 12.293 . 1 1362 148 148 ILE N N 121.052 . 1 1363 149 149 GLU H H 9.144 . 1 1364 149 149 GLU HA H 4.554 . 1 1365 149 149 GLU HB2 H 1.764 . 1 1366 149 149 GLU HB3 H 1.764 . 1 1367 149 149 GLU HG2 H 2.010 . 1 1368 149 149 GLU HG3 H 2.010 . 1 1369 149 149 GLU C C 175.257 . 1 1370 149 149 GLU CA C 54.359 . 1 1371 149 149 GLU CB C 31.471 . 1 1372 149 149 GLU CG C 36.223 . 1 1373 149 149 GLU N N 130.990 . 1 1374 150 150 VAL H H 8.398 . 1 1375 150 150 VAL HA H 4.608 . 1 1376 150 150 VAL HB H 1.917 . 1 1377 150 150 VAL HG1 H 0.632 . 2 1378 150 150 VAL HG2 H 0.680 . 2 1379 150 150 VAL C C 175.512 . 1 1380 150 150 VAL CA C 61.633 . 1 1381 150 150 VAL CB C 31.404 . 1 1382 150 150 VAL CG1 C 20.330 . 2 1383 150 150 VAL CG2 C 20.985 . 2 1384 150 150 VAL N N 125.778 . 1 1385 151 151 VAL H H 8.468 . 1 1386 151 151 VAL HA H 4.432 . 1 1387 151 151 VAL HB H 1.688 . 1 1388 151 151 VAL HG1 H 0.509 . 2 1389 151 151 VAL HG2 H 0.641 . 2 1390 151 151 VAL C C 174.217 . 1 1391 151 151 VAL CA C 59.335 . 1 1392 151 151 VAL CB C 35.002 . 1 1393 151 151 VAL CG1 C 19.259 . 2 1394 151 151 VAL CG2 C 20.825 . 2 1395 151 151 VAL N N 123.081 . 1 1396 152 152 ALA H H 8.685 . 1 1397 152 152 ALA HA H 4.519 . 1 1398 152 152 ALA HB H 1.112 . 1 1399 152 152 ALA C C 176.775 . 1 1400 152 152 ALA CA C 50.560 . 1 1401 152 152 ALA CB C 19.918 . 1 1402 152 152 ALA N N 128.098 . 1 1403 153 153 PHE H H 7.956 . 1 1404 153 153 PHE HA H 4.636 . 1 1405 153 153 PHE HB2 H 3.003 . 1 1406 153 153 PHE HB3 H 3.003 . 1 1407 153 153 PHE C C 175.217 . 1 1408 153 153 PHE CA C 56.326 . 1 1409 153 153 PHE CB C 39.976 . 1 1410 153 153 PHE N N 119.721 . 1 1411 154 154 GLY H H 8.482 . 1 1412 154 154 GLY HA2 H 4.177 . 1 1413 154 154 GLY HA3 H 4.177 . 1 1414 154 154 GLY C C 172.254 . 1 1415 154 154 GLY CA C 43.883 . 1 1416 154 154 GLY N N 110.381 . 1 1417 156 156 ASP H H 8.457 . 1 1418 156 156 ASP HA H 4.421 . 1 1419 156 156 ASP HB2 H 2.466 . 1 1420 156 156 ASP HB3 H 2.466 . 1 1421 156 156 ASP C C 176.568 . 1 1422 156 156 ASP CA C 54.380 . 1 1423 156 156 ASP CB C 39.836 . 1 1424 156 156 ASP N N 118.303 . 1 1425 157 157 ASN H H 8.005 . 1 1426 157 157 ASN HA H 4.753 . 1 1427 157 157 ASN HB2 H 2.573 . 1 1428 157 157 ASN HB3 H 2.573 . 1 1429 157 157 ASN C C 175.221 . 1 1430 157 157 ASN CA C 52.980 . 1 1431 157 157 ASN CB C 38.868 . 1 1432 157 157 ASN N N 119.039 . 1 1433 158 158 GLU H H 7.963 . 1 1434 158 158 GLU HA H 3.939 . 1 1435 158 158 GLU HB2 H 1.946 . 1 1436 158 158 GLU HB3 H 1.946 . 1 1437 158 158 GLU HG2 H 2.160 . 1 1438 158 158 GLU HG3 H 2.160 . 1 1439 158 158 GLU C C 177.671 . 1 1440 158 158 GLU CA C 58.879 . 1 1441 158 158 GLU CB C 29.176 . 1 1442 158 158 GLU CG C 35.782 . 1 1443 158 158 GLU N N 121.561 . 1 1444 159 159 ALA H H 8.322 . 1 1445 159 159 ALA HA H 3.995 . 1 1446 159 159 ALA HB H 1.260 . 1 1447 159 159 ALA C C 180.540 . 1 1448 159 159 ALA CA C 54.443 . 1 1449 159 159 ALA CB C 17.591 . 1 1450 159 159 ALA N N 122.212 . 1 1451 160 160 GLU H H 8.064 . 1 1452 160 160 GLU HA H 3.897 . 1 1453 160 160 GLU HB2 H 1.746 . 1 1454 160 160 GLU HB3 H 1.746 . 1 1455 160 160 GLU HG2 H 2.061 . 1 1456 160 160 GLU HG3 H 2.061 . 1 1457 160 160 GLU C C 178.375 . 1 1458 160 160 GLU CA C 58.321 . 1 1459 160 160 GLU CB C 28.801 . 1 1460 160 160 GLU CG C 36.278 . 1 1461 160 160 GLU N N 119.768 . 1 1462 161 161 TYR H H 7.930 . 1 1463 161 161 TYR HA H 4.088 . 1 1464 161 161 TYR HB2 H 2.868 . 1 1465 161 161 TYR HB3 H 2.868 . 1 1466 161 161 TYR C C 176.933 . 1 1467 161 161 TYR CA C 59.887 . 1 1468 161 161 TYR CB C 38.070 . 1 1469 161 161 TYR N N 121.134 . 1 1470 162 162 GLN H H 8.192 . 1 1471 162 162 GLN HA H 3.700 . 1 1472 162 162 GLN HB2 H 1.926 . 1 1473 162 162 GLN HB3 H 1.926 . 1 1474 162 162 GLN HG2 H 2.360 . 1 1475 162 162 GLN HG3 H 2.360 . 1 1476 162 162 GLN C C 178.421 . 1 1477 162 162 GLN CA C 57.696 . 1 1478 162 162 GLN CB C 27.547 . 1 1479 162 162 GLN CG C 33.152 . 1 1480 162 162 GLN N N 117.843 . 1 1481 163 163 ALA H H 7.670 . 1 1482 163 163 ALA HA H 3.914 . 1 1483 163 163 ALA HB H 1.318 . 1 1484 163 163 ALA C C 179.251 . 1 1485 163 163 ALA CA C 54.139 . 1 1486 163 163 ALA CB C 17.770 . 1 1487 163 163 ALA N N 121.851 . 1 1488 164 164 LEU H H 7.591 . 1 1489 164 164 LEU HA H 4.217 . 1 1490 164 164 LEU HB2 H 1.561 . 1 1491 164 164 LEU HB3 H 1.561 . 1 1492 164 164 LEU HG H 1.491 . 1 1493 164 164 LEU HD1 H 0.718 . 2 1494 164 164 LEU HD2 H 0.728 . 2 1495 164 164 LEU C C 178.661 . 1 1496 164 164 LEU CA C 56.712 . 1 1497 164 164 LEU CB C 40.934 . 1 1498 164 164 LEU CD1 C 24.202 . 2 1499 164 164 LEU CD2 C 24.311 . 2 1500 164 164 LEU N N 120.534 . 1 1501 165 165 LEU H H 7.653 . 1 1502 165 165 LEU HA H 3.843 . 1 1503 165 165 LEU HB2 H 1.487 . 1 1504 165 165 LEU HB3 H 1.487 . 1 1505 165 165 LEU HG H 1.253 . 1 1506 165 165 LEU HD1 H 0.534 . 2 1507 165 165 LEU HD2 H 0.538 . 2 1508 165 165 LEU C C 178.607 . 1 1509 165 165 LEU CA C 56.276 . 1 1510 165 165 LEU CB C 40.934 . 1 1511 165 165 LEU CD1 C 22.276 . 2 1512 165 165 LEU CD2 C 24.609 . 2 1513 165 165 LEU N N 118.835 . 1 1514 166 166 ARG H H 7.576 . 1 1515 166 166 ARG HA H 3.962 . 1 1516 166 166 ARG HB2 H 1.715 . 1 1517 166 166 ARG HB3 H 1.715 . 1 1518 166 166 ARG HG2 H 1.482 . 1 1519 166 166 ARG HG3 H 1.482 . 1 1520 166 166 ARG HD2 H 3.052 . 1 1521 166 166 ARG HD3 H 3.052 . 1 1522 166 166 ARG C C 177.574 . 1 1523 166 166 ARG CA C 57.646 . 1 1524 166 166 ARG CB C 29.785 . 1 1525 166 166 ARG CG C 27.116 . 1 1526 166 166 ARG CD C 43.178 . 1 1527 166 166 ARG N N 118.583 . 1 1528 167 167 ASP H H 7.786 . 1 1529 167 167 ASP HA H 4.409 . 1 1530 167 167 ASP HB2 H 2.591 . 1 1531 167 167 ASP HB3 H 2.591 . 1 1532 167 167 ASP C C 177.510 . 1 1533 167 167 ASP CA C 55.356 . 1 1534 167 167 ASP CB C 40.795 . 1 1535 167 167 ASP N N 119.466 . 1 1536 168 168 ILE H H 7.744 . 1 1537 168 168 ILE HA H 4.036 . 1 1538 168 168 ILE HB H 1.549 . 1 1539 168 168 ILE HG12 H 0.846 . 1 1540 168 168 ILE HG2 H 0.347 . 1 1541 168 168 ILE HD1 H 0.504 . 1 1542 168 168 ILE C C 176.704 . 1 1543 168 168 ILE CA C 62.664 . 1 1544 168 168 ILE CB C 37.732 . 1 1545 168 168 ILE CG1 C 26.798 . 1 1546 168 168 ILE CG2 C 16.591 . 1 1547 168 168 ILE CD1 C 13.004 . 1 1548 168 168 ILE N N 118.693 . 1 1549 169 169 TYR H H 7.751 . 1 1550 169 169 TYR HA H 4.429 . 1 1551 169 169 TYR HB2 H 3.029 . 1 1552 169 169 TYR HB3 H 3.029 . 1 1553 169 169 TYR C C 175.516 . 1 1554 169 169 TYR CA C 57.640 . 1 1555 169 169 TYR CB C 37.784 . 1 1556 169 169 TYR N N 120.118 . 1 1557 170 170 ALA H H 7.694 . 1 1558 170 170 ALA HA H 4.187 . 1 1559 170 170 ALA HB H 1.253 . 1 1560 170 170 ALA C C 176.542 . 1 1561 170 170 ALA CA C 51.960 . 1 1562 170 170 ALA CB C 18.515 . 1 1563 170 170 ALA N N 124.979 . 1 1564 171 171 ARG H H 7.652 . 1 1565 171 171 ARG C C 181.128 . 1 1566 171 171 ARG CA C 57.034 . 1 1567 171 171 ARG CB C 30.942 . 1 1568 171 171 ARG N N 125.858 . 1 stop_ save_ save_assigned_chem_shift_list_1_2 _Saveframe_category assigned_chemical_shifts _Details 'Origin xeasy file /Users/andrasboeszoermenyi/Desktop/M50_Paper/M50_4D_ccpnmr/M50_ILV_May2015.prot' loop_ _Software_label $CcpNmr_Analysis stop_ loop_ _Experiment_label 13C_ILV_HSQC stop_ loop_ _Sample_label $M50_ILV stop_ _Sample_conditions_label $3 _Chem_shift_reference_set_label $chemical_shift_reference_1 _Mol_system_component_name M50 _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 6 6 ILE HD1 H 0.646 . 1 2 6 6 ILE CD1 C 12.962 . 1 3 10 10 VAL HG1 H 0.535 . 2 4 10 10 VAL HG2 H 0.901 . 2 5 10 10 VAL CG1 C 20.718 . 2 6 10 10 VAL CG2 C 22.300 . 2 7 14 14 LEU HD1 H -0.258 . 2 8 14 14 LEU HD2 H -0.174 . 2 9 14 14 LEU CD1 C 22.586 . 2 10 14 14 LEU CD2 C 25.219 . 2 11 15 15 ILE HD1 H 0.653 . 1 12 15 15 ILE CD1 C 12.779 . 1 13 21 21 ILE HD1 H 0.498 . 1 14 21 21 ILE CD1 C 13.180 . 1 15 22 22 LEU HD1 H 0.175 . 2 16 22 22 LEU HD2 H 0.471 . 2 17 22 22 LEU CD1 C 25.590 . 2 18 22 22 LEU CD2 C 20.934 . 2 19 24 24 LEU HD1 H 0.610 . 2 20 24 24 LEU HD2 H 0.675 . 2 21 24 24 LEU CD1 C 27.942 . 2 22 24 24 LEU CD2 C 22.151 . 2 23 29 29 LEU HD1 H 0.636 . 2 24 29 29 LEU HD2 H 0.679 . 2 25 29 29 LEU CD1 C 26.990 . 2 26 29 29 LEU CD2 C 23.519 . 2 27 31 31 ILE HD1 H 0.710 . 1 28 31 31 ILE CD1 C 13.834 . 1 29 36 36 LEU HD1 H 0.701 . 2 30 36 36 LEU HD2 H 0.582 . 2 31 36 36 LEU CD1 C 23.104 . 2 32 36 36 LEU CD2 C 24.598 . 2 33 37 37 ILE HD1 H 0.692 . 1 34 37 37 ILE CD1 C 13.196 . 1 35 45 45 LEU HD1 H 0.885 . 2 36 45 45 LEU HD2 H 0.714 . 2 37 45 45 LEU CD1 C 24.372 . 2 38 45 45 LEU CD2 C 26.476 . 2 39 50 50 LEU HD1 H 0.441 . 2 40 50 50 LEU HD2 H -0.155 . 2 41 50 50 LEU CD1 C 25.696 . 2 42 50 50 LEU CD2 C 19.004 . 2 43 54 54 ILE HD1 H 0.582 . 1 44 54 54 ILE CD1 C 10.197 . 1 45 55 55 VAL HG1 H 0.736 . 2 46 55 55 VAL HG2 H 0.582 . 2 47 55 55 VAL CG1 C 20.620 . 2 48 55 55 VAL CG2 C 22.400 . 2 49 58 58 VAL HG1 H 0.830 . 2 50 58 58 VAL HG2 H 0.950 . 2 51 58 58 VAL CG1 C 20.898 . 2 52 58 58 VAL CG2 C 23.421 . 2 53 61 61 LEU HD1 H 1.153 . 2 54 61 61 LEU HD2 H 0.670 . 2 55 61 61 LEU CD1 C 24.253 . 2 56 61 61 LEU CD2 C 26.233 . 2 57 62 62 LEU HD1 H -0.535 . 2 58 62 62 LEU HD2 H 0.172 . 2 59 62 62 LEU CD1 C 22.144 . 2 60 62 62 LEU CD2 C 26.115 . 2 61 76 76 VAL HG1 H 0.707 . 2 62 76 76 VAL HG2 H 0.753 . 2 63 76 76 VAL CG1 C 21.879 . 2 64 76 76 VAL CG2 C 23.120 . 2 65 84 84 VAL HG1 H 0.674 . 2 66 84 84 VAL HG2 H -0.124 . 2 67 84 84 VAL CG1 C 22.053 . 2 68 84 84 VAL CG2 C 22.471 . 2 69 86 86 LEU HD1 H -0.503 . 2 70 86 86 LEU HD2 H -0.197 . 2 71 86 86 LEU CD1 C 22.171 . 2 72 86 86 LEU CD2 C 25.348 . 2 73 90 90 ILE HD1 H 0.720 . 1 74 90 90 ILE CD1 C 13.042 . 1 75 96 96 LEU HD1 H 0.381 . 2 76 96 96 LEU HD2 H -0.091 . 2 77 96 96 LEU CD1 C 21.558 . 2 78 96 96 LEU CD2 C 25.521 . 2 79 99 99 LEU HD1 H 0.757 . 2 80 99 99 LEU HD2 H 0.704 . 2 81 99 99 LEU CD1 C 23.223 . 2 82 99 99 LEU CD2 C 26.420 . 2 83 102 102 VAL HG1 H 0.800 . 2 84 102 102 VAL HG2 H 0.789 . 2 85 102 102 VAL CG1 C 21.419 . 2 86 102 102 VAL CG2 C 20.701 . 2 87 108 108 LEU HD1 H 0.561 . 2 88 108 108 LEU HD2 H 0.566 . 2 89 108 108 LEU CD1 C 24.842 . 2 90 108 108 LEU CD2 C 25.495 . 2 91 110 110 VAL HG1 H 0.757 . 2 92 110 110 VAL HG2 H 0.916 . 2 93 110 110 VAL CG1 C 20.249 . 2 94 110 110 VAL CG2 C 22.294 . 2 95 114 114 LEU HD1 H 0.586 . 2 96 114 114 LEU HD2 H 0.548 . 2 97 114 114 LEU CD1 C 25.302 . 2 98 114 114 LEU CD2 C 26.050 . 2 99 115 115 VAL HG1 H 0.750 . 2 100 115 115 VAL HG2 H 0.821 . 2 101 115 115 VAL CG1 C 21.736 . 2 102 115 115 VAL CG2 C 24.180 . 2 103 116 116 VAL HG1 H 0.765 . 2 104 116 116 VAL HG2 H 0.783 . 2 105 116 116 VAL CG1 C 21.236 . 2 106 116 116 VAL CG2 C 22.241 . 2 107 118 118 LEU HD1 H 0.733 . 2 108 118 118 LEU HD2 H 0.743 . 2 109 118 118 LEU CD1 C 24.370 . 2 110 118 118 LEU CD2 C 24.682 . 2 111 121 121 ILE HD1 H 0.423 . 1 112 121 121 ILE CD1 C 11.425 . 1 113 124 124 ILE HD1 H 0.517 . 1 114 124 124 ILE CD1 C 14.223 . 1 115 131 131 VAL HG1 H 0.747 . 2 116 131 131 VAL HG2 H 0.722 . 2 117 131 131 VAL CG1 C 21.219 . 2 118 131 131 VAL CG2 C 20.905 . 2 119 132 132 LEU HD1 H 0.575 . 2 120 132 132 LEU HD2 H 0.669 . 2 121 132 132 LEU CD1 C 22.816 . 2 122 132 132 LEU CD2 C 25.639 . 2 123 136 136 VAL HG1 H 0.694 . 2 124 136 136 VAL HG2 H 0.672 . 2 125 136 136 VAL CG1 C 20.230 . 2 126 136 136 VAL CG2 C 21.320 . 2 127 137 137 VAL HG1 H 0.775 . 2 128 137 137 VAL HG2 H 0.657 . 2 129 137 137 VAL CG1 C 20.562 . 2 130 137 137 VAL CG2 C 22.679 . 2 131 148 148 ILE HD1 H 0.063 . 1 132 148 148 ILE CD1 C 12.514 . 1 133 150 150 VAL HG1 H 0.641 . 2 134 150 150 VAL HG2 H 0.677 . 2 135 150 150 VAL CG1 C 20.523 . 2 136 150 150 VAL CG2 C 21.172 . 2 137 151 151 VAL HG1 H 0.502 . 2 138 151 151 VAL HG2 H 0.636 . 2 139 151 151 VAL CG1 C 19.408 . 2 140 151 151 VAL CG2 C 21.008 . 2 141 164 164 LEU HD1 H 0.719 . 2 142 164 164 LEU HD2 H 0.736 . 2 143 164 164 LEU CD1 C 24.450 . 2 144 164 164 LEU CD2 C 24.468 . 2 145 165 165 LEU HD1 H 0.534 . 2 146 165 165 LEU HD2 H 0.522 . 2 147 165 165 LEU CD1 C 22.426 . 2 148 165 165 LEU CD2 C 24.756 . 2 149 168 168 ILE HD1 H 0.504 . 1 150 168 168 ILE CD1 C 13.172 . 1 stop_ save_