data_15798 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Solution structure of Tpx in the oxidized state ; _BMRB_accession_number 15798 _BMRB_flat_file_name bmr15798.str _Entry_type original _Submission_date 2008-06-07 _Accession_date 2008-06-07 _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 Jin Changwen . . 2 Lu Jie . . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 879 "13C chemical shifts" 647 "15N chemical shifts" 155 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2010-05-27 update BMRB 'update entity name' 2009-08-31 update BMRB 'add PubMed ID' 2008-12-03 update BMRB 'complete entry citation' 2008-08-05 update author 'update entry citation' 2008-07-29 original author 'original release' stop_ loop_ _Related_BMRB_accession_number _Relationship 15797 'Tpx in the reduced state' stop_ save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full . _Citation_title '1H, 13C, and 15N resonance assignments of the reduced and oxidized forms of Bacillus subtilis thiol peroxidase' _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 19636900 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Lu Jie . . 2 Yang Fan . . 3 Li You . . 4 Xia Bin . . 5 Jin Changwen . . stop_ _Journal_abbreviation 'Biomol. NMR Assignments' _Journal_name_full 'Biomolecular NMR Assignments' _Journal_volume 2 _Journal_issue 2 _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 183 _Page_last 186 _Year 2008 _Details . save_ ####################################### # Cited references within the entry # ####################################### save_reference_citation _Saveframe_category citation _Citation_full . _Citation_title 'Reversible conformational switch revealed by the redox structures of Bacillus subtilis thiol peroxidase' _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 18588855 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Lu Jie . . 2 Yanga Fan . . 3 Lia You . . 4 Zhanga Xinxin . . 5 Xia Bin . . 6 Jin Changwen . . stop_ _Journal_abbreviation 'Biochem. Biophys. Res. Commun.' _Journal_name_full . _Journal_volume 373 _Journal_issue 3 _Journal_CSD . _Book_title . _Book_chapter_title . _Book_volume . _Book_series . _Book_publisher . _Book_publisher_city . _Book_ISBN . _Conference_title . _Conference_site . _Conference_state_province . _Conference_country . _Conference_start_date . _Conference_end_date . _Conference_abstract_number . _Thesis_institution . _Thesis_institution_city . _Thesis_institution_country . _Page_first 414 _Page_last 418 _Year 2008 _Details . save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name 'Tpx monomer' _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label 'Tpx monomer' $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 Tpx _Molecular_mass 18241.838 _Mol_thiol_state 'all disulfide bound' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 167 _Mol_residue_sequence ; MAEITFKGGPVTLVGQEVKV GDQAPDFTVLTNSLEEKSLA DMKGKVTIISVIPSIDTGVC DAQTRRFNEEAAKLGDVNVY TISADLPFAQARWCGANGID KVETLSDHRDMSFGEAFGVY IKELRLLARSVFVLDENGKV VYAEYVSEATNHPNYEKPIE AAKALVK ; loop_ _Residue_seq_code _Residue_label 1 MET 2 ALA 3 GLU 4 ILE 5 THR 6 PHE 7 LYS 8 GLY 9 GLY 10 PRO 11 VAL 12 THR 13 LEU 14 VAL 15 GLY 16 GLN 17 GLU 18 VAL 19 LYS 20 VAL 21 GLY 22 ASP 23 GLN 24 ALA 25 PRO 26 ASP 27 PHE 28 THR 29 VAL 30 LEU 31 THR 32 ASN 33 SER 34 LEU 35 GLU 36 GLU 37 LYS 38 SER 39 LEU 40 ALA 41 ASP 42 MET 43 LYS 44 GLY 45 LYS 46 VAL 47 THR 48 ILE 49 ILE 50 SER 51 VAL 52 ILE 53 PRO 54 SER 55 ILE 56 ASP 57 THR 58 GLY 59 VAL 60 CYS 61 ASP 62 ALA 63 GLN 64 THR 65 ARG 66 ARG 67 PHE 68 ASN 69 GLU 70 GLU 71 ALA 72 ALA 73 LYS 74 LEU 75 GLY 76 ASP 77 VAL 78 ASN 79 VAL 80 TYR 81 THR 82 ILE 83 SER 84 ALA 85 ASP 86 LEU 87 PRO 88 PHE 89 ALA 90 GLN 91 ALA 92 ARG 93 TRP 94 CYS 95 GLY 96 ALA 97 ASN 98 GLY 99 ILE 100 ASP 101 LYS 102 VAL 103 GLU 104 THR 105 LEU 106 SER 107 ASP 108 HIS 109 ARG 110 ASP 111 MET 112 SER 113 PHE 114 GLY 115 GLU 116 ALA 117 PHE 118 GLY 119 VAL 120 TYR 121 ILE 122 LYS 123 GLU 124 LEU 125 ARG 126 LEU 127 LEU 128 ALA 129 ARG 130 SER 131 VAL 132 PHE 133 VAL 134 LEU 135 ASP 136 GLU 137 ASN 138 GLY 139 LYS 140 VAL 141 VAL 142 TYR 143 ALA 144 GLU 145 TYR 146 VAL 147 SER 148 GLU 149 ALA 150 THR 151 ASN 152 HIS 153 PRO 154 ASN 155 TYR 156 GLU 157 LYS 158 PRO 159 ILE 160 GLU 161 ALA 162 ALA 163 LYS 164 ALA 165 LEU 166 VAL 167 LYS stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date 2015-10-21 loop_ _Database_name _Database_accession_code _Database_entry_mol_name _Sequence_query_to_submitted_percentage _Sequence_subject_length _Sequence_identity _Sequence_positive _Sequence_homology_expectation_value BMRB 15797 "Tpx monomer" 100.00 167 100.00 100.00 2.78e-118 PDB 2JSY "Solution Structure Of Tpx In The Oxidized State" 100.00 167 100.00 100.00 2.78e-118 PDB 2JSZ "Solution Structure Of Tpx In The Reduced State" 100.00 167 100.00 100.00 2.78e-118 DBJ BAI86453 "thiol peroxidase [Bacillus subtilis subsp. natto BEST195]" 100.00 179 100.00 100.00 4.20e-118 DBJ BAM54200 "thiol peroxidase [Bacillus subtilis BEST7613]" 100.00 167 100.00 100.00 2.78e-118 DBJ BAM59029 "thiol peroxidase [Bacillus subtilis BEST7003]" 100.00 167 100.00 100.00 2.78e-118 DBJ GAK82014 "putative peroxiredoxin [Bacillus subtilis Miyagi-4]" 100.00 167 100.00 100.00 2.78e-118 EMBL CAB14927 "putative peroxiredoxin [Bacillus subtilis subsp. subtilis str. 168]" 100.00 167 100.00 100.00 2.78e-118 EMBL CCU59457 "Thiol peroxidase, Tpx-type [Bacillus subtilis E1]" 100.00 167 100.00 100.00 2.78e-118 EMBL CEI58181 "thiol peroxidase [Bacillus subtilis]" 100.00 167 100.00 100.00 2.78e-118 EMBL CEJ78603 "thiol peroxidase [Bacillus sp.]" 100.00 167 100.00 100.00 2.78e-118 EMBL CJR44398 "lipid hydroperoxide peroxidase [Streptococcus pneumoniae]" 100.00 167 100.00 100.00 2.78e-118 GB AAC00316 "YtgI [Bacillus subtilis]" 100.00 167 100.00 100.00 2.78e-118 GB ADM38894 "thiol peroxidase [Bacillus subtilis subsp. spizizenii str. W23]" 100.00 167 100.00 100.00 2.78e-118 GB ADV93745 "lipid hydroperoxide peroxidase [Bacillus subtilis BSn5]" 100.00 167 99.40 99.40 1.39e-117 GB AEP87796 "putative thiol peroxidase [Bacillus subtilis subsp. spizizenii TU-B-10]" 100.00 167 100.00 100.00 2.78e-118 GB AEP91943 "putative thiol peroxidase [Bacillus subtilis subsp. subtilis str. RO-NN-1]" 100.00 167 100.00 100.00 2.78e-118 REF NP_390827 "thiol peroxidase [Bacillus subtilis subsp. subtilis str. 168]" 100.00 167 100.00 100.00 2.78e-118 REF WP_003223506 "MULTISPECIES: 2-Cys peroxiredoxin [Bacillales]" 100.00 167 100.00 100.00 2.78e-118 REF WP_010335298 "2-Cys peroxiredoxin [Bacillus mojavensis]" 100.00 167 98.20 100.00 1.39e-116 REF WP_015714515 "2-Cys peroxiredoxin [Bacillus subtilis]" 100.00 167 99.40 99.40 1.39e-117 REF WP_019259177 "2-Cys peroxiredoxin [Bacillus subtilis]" 100.00 167 99.40 100.00 1.15e-117 SP P80864 "RecName: Full=Probable thiol peroxidase; AltName: Full=Superoxide-inducible protein 8; Short=SOI8" 100.00 167 100.00 100.00 2.78e-118 stop_ save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species $entity 'Bacillus subtilis' 1423 Bacteria . Bacillus subtilis stop_ save_ ######################### # Experimental source # ######################### save_experimental_source _Saveframe_category experimental_source loop_ _Mol_label _Production_method _Host_organism_name_common _Genus _Species _Strain _Vector_name $entity 'recombinant technology' . Escherichia coli . pET21a stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $entity 1 mM '[U-13C; U-15N]' 'sodium phosphate' 20 mM 'natural abundance' stop_ save_ ############################ # Computer software used # ############################ save_xwinnmr _Saveframe_category software _Name xwinnmr _Version 3.5 loop_ _Vendor _Address _Electronic_address 'Bruker Biospin' . . stop_ loop_ _Task collection stop_ _Details . save_ save_NMRPipe _Saveframe_category software _Name NMRPipe _Version 2.1 loop_ _Vendor _Address _Electronic_address 'Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax' . . stop_ loop_ _Task processing stop_ _Details . save_ save_NMRView _Saveframe_category software _Name NMRView _Version 5 loop_ _Vendor _Address _Electronic_address 'Johnson, One Moon Scientific' . . stop_ loop_ _Task 'data analysis' stop_ _Details . save_ save_CYANA _Saveframe_category software _Name CYANA _Version 2.0 loop_ _Vendor _Address _Electronic_address 'Guntert, Mumenthaler and Wuthrich' . . stop_ loop_ _Task 'structure solution' stop_ _Details . save_ save_AMBER _Saveframe_category software _Name AMBER _Version 7 loop_ _Vendor _Address _Electronic_address 'Case, Darden, Cheatham, III, Simmerling, Wang, Duke, Luo, ... and Koll' . . stop_ loop_ _Task refinement stop_ _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model Avance _Field_strength 800 _Details . save_ save_spectrometer_2 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model Avance _Field_strength 500 _Details . save_ ############################# # NMR applied experiments # ############################# save_3D_1H-15N_NOESY_1 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-15N NOESY' _Sample_label $sample_1 save_ save_3D_1H-13C_NOESY_2 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-13C NOESY' _Sample_label $sample_1 save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Saveframe_category sample_conditions _Details . loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units 'ionic strength' 20 . mM pH 7.0 . pH pressure 1 . atm temperature 303 . 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 . indirect . . . 0.251449530 DSS H 1 'methyl protons' ppm 0.00 internal direct . . . 1.000000000 DSS N 15 'methyl protons' ppm 0.00 . 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 '3D 1H-15N NOESY' '3D 1H-13C NOESY' stop_ loop_ _Sample_label $sample_1 stop_ _Sample_conditions_label $sample_conditions_1 _Chem_shift_reference_set_label $chemical_shift_reference_1 _Mol_system_component_name 'Tpx monomer' _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 2 2 ALA HA H 3.876 0.03 1 2 2 2 ALA HB H 0.980 0.03 1 3 2 2 ALA C C 172.590 0.3 1 4 2 2 ALA CA C 51.922 0.3 1 5 2 2 ALA CB C 18.924 0.3 1 6 3 3 GLU H H 8.262 0.03 1 7 3 3 GLU HA H 4.641 0.03 1 8 3 3 GLU HB2 H 1.904 0.03 2 9 3 3 GLU HB3 H 2.022 0.03 2 10 3 3 GLU HG2 H 2.260 0.03 2 11 3 3 GLU HG3 H 2.208 0.03 2 12 3 3 GLU C C 175.157 0.3 1 13 3 3 GLU CA C 55.476 0.3 1 14 3 3 GLU CB C 31.142 0.3 1 15 3 3 GLU CG C 36.063 0.3 1 16 3 3 GLU N N 121.167 0.3 1 17 4 4 ILE H H 9.053 0.03 1 18 4 4 ILE HA H 5.361 0.03 1 19 4 4 ILE HB H 1.832 0.03 1 20 4 4 ILE HD1 H 0.920 0.03 1 21 4 4 ILE HG12 H 1.219 0.03 1 22 4 4 ILE HG13 H 1.320 0.03 1 23 4 4 ILE HG2 H 0.942 0.03 1 24 4 4 ILE C C 175.817 0.3 1 25 4 4 ILE CA C 59.304 0.3 1 26 4 4 ILE CB C 42.079 0.3 1 27 4 4 ILE CD1 C 14.736 0.3 1 28 4 4 ILE CG1 C 27.040 0.3 1 29 4 4 ILE CG2 C 18.017 0.3 1 30 4 4 ILE N N 124.776 0.3 1 31 5 5 THR H H 8.977 0.03 1 32 5 5 THR HA H 5.141 0.03 1 33 5 5 THR HB H 3.802 0.03 1 34 5 5 THR HG2 H 0.931 0.03 1 35 5 5 THR C C 173.483 0.3 1 36 5 5 THR CA C 59.304 0.3 1 37 5 5 THR CB C 73.249 0.3 1 38 5 5 THR CG2 C 21.025 0.3 1 39 5 5 THR N N 112.659 0.3 1 40 6 6 PHE H H 9.173 0.03 1 41 6 6 PHE HA H 4.866 0.03 1 42 6 6 PHE HB2 H 2.517 0.03 2 43 6 6 PHE HB3 H 3.114 0.03 2 44 6 6 PHE HD1 H 7.037 0.03 3 45 6 6 PHE C C 175.591 0.3 1 46 6 6 PHE CA C 58.054 0.3 1 47 6 6 PHE CB C 42.625 0.3 1 48 6 6 PHE N N 119.362 0.3 1 49 7 7 LYS H H 11.130 0.03 1 50 7 7 LYS HA H 3.567 0.03 1 51 7 7 LYS HB2 H 1.912 0.03 2 52 7 7 LYS HB3 H 1.755 0.03 2 53 7 7 LYS HD2 H 1.594 0.03 2 54 7 7 LYS HD3 H 1.594 0.03 2 55 7 7 LYS HE2 H 2.873 0.03 2 56 7 7 LYS HE3 H 2.873 0.03 2 57 7 7 LYS HG2 H 0.937 0.03 2 58 7 7 LYS HG3 H 0.609 0.03 2 59 7 7 LYS C C 177.661 0.3 1 60 7 7 LYS CA C 57.390 0.3 1 61 7 7 LYS CB C 29.222 0.3 1 62 7 7 LYS CD C 29.501 0.3 1 63 7 7 LYS CE C 42.079 0.3 1 64 7 7 LYS CG C 25.673 0.3 1 65 7 7 LYS N N 134.058 0.3 1 66 8 8 GLY H H 8.965 0.03 1 67 8 8 GLY HA2 H 4.244 0.03 2 68 8 8 GLY HA3 H 3.528 0.03 2 69 8 8 GLY C C 173.822 0.3 1 70 8 8 GLY CA C 45.360 0.3 1 71 8 8 GLY N N 104.280 0.3 1 72 9 9 GLY H H 7.942 0.03 1 73 9 9 GLY HA2 H 4.815 0.03 2 74 9 9 GLY HA3 H 3.715 0.03 2 75 9 9 GLY C C 171.262 0.3 1 76 9 9 GLY CA C 43.172 0.3 1 77 9 9 GLY N N 109.823 0.3 1 78 10 10 PRO HA H 4.640 0.03 1 79 10 10 PRO HB2 H 1.969 0.03 2 80 10 10 PRO HB3 H 2.379 0.03 2 81 10 10 PRO HD2 H 3.791 0.03 2 82 10 10 PRO HD3 H 3.943 0.03 2 83 10 10 PRO HG2 H 2.042 0.03 2 84 10 10 PRO HG3 H 2.162 0.03 2 85 10 10 PRO C C 177.097 0.3 1 86 10 10 PRO CA C 63.952 0.3 1 87 10 10 PRO CB C 32.509 0.3 1 88 10 10 PRO CD C 50.828 0.3 1 89 10 10 PRO CG C 27.587 0.3 1 90 11 11 VAL H H 7.770 0.03 1 91 11 11 VAL HA H 4.632 0.03 1 92 11 11 VAL HB H 2.360 0.03 1 93 11 11 VAL HG1 H 0.663 0.03 2 94 11 11 VAL HG2 H 0.923 0.03 2 95 11 11 VAL C C 174.462 0.3 1 96 11 11 VAL CA C 59.304 0.3 1 97 11 11 VAL CB C 35.516 0.3 1 98 11 11 VAL CG1 C 18.291 0.3 1 99 11 11 VAL CG2 C 22.939 0.3 1 100 11 11 VAL N N 115.495 0.3 1 101 12 12 THR H H 10.773 0.03 1 102 12 12 THR HA H 4.425 0.03 1 103 12 12 THR HB H 4.096 0.03 1 104 12 12 THR HG2 H 1.146 0.03 1 105 12 12 THR C C 173.505 0.3 1 106 12 12 THR CA C 62.312 0.3 1 107 12 12 THR CB C 69.694 0.3 1 108 12 12 THR CG2 C 21.025 0.3 1 109 12 12 THR N N 121.940 0.3 1 110 13 13 LEU H H 8.524 0.03 1 111 13 13 LEU HA H 5.132 0.03 1 112 13 13 LEU HB2 H 1.188 0.03 2 113 13 13 LEU HB3 H 1.691 0.03 2 114 13 13 LEU HD1 H 0.974 0.03 2 115 13 13 LEU HD2 H 0.696 0.03 2 116 13 13 LEU HG H 1.713 0.03 1 117 13 13 LEU C C 177.285 0.3 1 118 13 13 LEU CA C 53.289 0.3 1 119 13 13 LEU CB C 42.352 0.3 1 120 13 13 LEU CD1 C 24.853 0.3 1 121 13 13 LEU CD2 C 23.759 0.3 1 122 13 13 LEU CG C 26.767 0.3 1 123 13 13 LEU N N 125.550 0.3 1 124 14 14 VAL H H 8.962 0.03 1 125 14 14 VAL HA H 3.859 0.03 1 126 14 14 VAL HB H 1.440 0.03 1 127 14 14 VAL HG1 H 0.165 0.03 2 128 14 14 VAL HG2 H 0.775 0.03 2 129 14 14 VAL C C 174.604 0.3 1 130 14 14 VAL CA C 62.312 0.3 1 131 14 14 VAL CB C 32.509 0.3 1 132 14 14 VAL CG1 C 20.478 0.3 1 133 14 14 VAL CG2 C 20.752 0.3 1 134 14 14 VAL N N 126.968 0.3 1 135 15 15 GLY H H 7.838 0.03 1 136 15 15 GLY HA2 H 5.132 0.03 2 137 15 15 GLY HA3 H 3.730 0.03 2 138 15 15 GLY C C 174.542 0.3 1 139 15 15 GLY CA C 43.446 0.3 1 140 15 15 GLY N N 110.596 0.3 1 141 16 16 GLN H H 8.247 0.03 1 142 16 16 GLN HA H 4.347 0.03 1 143 16 16 GLN HB2 H 1.880 0.03 2 144 16 16 GLN HB3 H 1.965 0.03 2 145 16 16 GLN HE21 H 7.661 0.03 2 146 16 16 GLN HE22 H 6.804 0.03 2 147 16 16 GLN HG2 H 2.346 0.03 2 148 16 16 GLN HG3 H 2.346 0.03 2 149 16 16 GLN C C 174.876 0.3 1 150 16 16 GLN CA C 54.656 0.3 1 151 16 16 GLN CB C 30.321 0.3 1 152 16 16 GLN CG C 33.876 0.3 1 153 16 16 GLN N N 120.522 0.3 1 154 16 16 GLN NE2 N 112.917 0.3 1 155 17 17 GLU H H 8.149 0.03 1 156 17 17 GLU HA H 3.938 0.03 1 157 17 17 GLU HB2 H 1.586 0.03 2 158 17 17 GLU HB3 H 1.683 0.03 2 159 17 17 GLU HG2 H 1.645 0.03 2 160 17 17 GLU HG3 H 1.725 0.03 2 161 17 17 GLU C C 176.607 0.3 1 162 17 17 GLU CA C 57.117 0.3 1 163 17 17 GLU CB C 30.321 0.3 1 164 17 17 GLU CG C 35.790 0.3 1 165 17 17 GLU N N 123.616 0.3 1 166 18 18 VAL H H 8.605 0.03 1 167 18 18 VAL HA H 4.047 0.03 1 168 18 18 VAL HB H 2.015 0.03 1 169 18 18 VAL HG1 H 0.685 0.03 2 170 18 18 VAL HG2 H 0.668 0.03 2 171 18 18 VAL C C 174.386 0.3 1 172 18 18 VAL CA C 61.765 0.3 1 173 18 18 VAL CB C 32.782 0.3 1 174 18 18 VAL CG1 C 21.845 0.3 1 175 18 18 VAL CG2 C 22.392 0.3 1 176 18 18 VAL N N 125.936 0.3 1 177 19 19 LYS H H 8.461 0.03 1 178 19 19 LYS HA H 4.624 0.03 1 179 19 19 LYS HB2 H 1.692 0.03 2 180 19 19 LYS HB3 H 1.692 0.03 2 181 19 19 LYS HD2 H 1.645 0.03 2 182 19 19 LYS HD3 H 1.645 0.03 2 183 19 19 LYS HE2 H 2.928 0.03 2 184 19 19 LYS HE3 H 2.928 0.03 2 185 19 19 LYS HG2 H 1.361 0.03 2 186 19 19 LYS HG3 H 1.361 0.03 2 187 19 19 LYS C C 176.457 0.3 1 188 19 19 LYS CA C 53.562 0.3 1 189 19 19 LYS CB C 34.423 0.3 1 190 19 19 LYS CD C 28.681 0.3 1 191 19 19 LYS CE C 42.079 0.3 1 192 19 19 LYS CG C 24.306 0.3 1 193 19 19 LYS N N 123.874 0.3 1 194 20 20 VAL H H 8.349 0.03 1 195 20 20 VAL HA H 3.421 0.03 1 196 20 20 VAL HB H 1.898 0.03 1 197 20 20 VAL HG1 H 0.961 0.03 2 198 20 20 VAL HG2 H 0.965 0.03 2 199 20 20 VAL C C 177.624 0.3 1 200 20 20 VAL CA C 65.593 0.3 1 201 20 20 VAL CB C 31.415 0.3 1 202 20 20 VAL CG1 C 21.298 0.3 1 203 20 20 VAL CG2 C 22.939 0.3 1 204 20 20 VAL N N 120.393 0.3 1 205 21 21 GLY H H 9.338 0.03 1 206 21 21 GLY HA2 H 4.566 0.03 2 207 21 21 GLY HA3 H 3.536 0.03 2 208 21 21 GLY C C 174.160 0.3 1 209 21 21 GLY CA C 44.539 0.3 1 210 21 21 GLY N N 117.429 0.3 1 211 22 22 ASP H H 8.222 0.03 1 212 22 22 ASP HA H 4.650 0.03 1 213 22 22 ASP HB2 H 2.861 0.03 2 214 22 22 ASP HB3 H 2.590 0.03 2 215 22 22 ASP C C 176.231 0.3 1 216 22 22 ASP CA C 54.382 0.3 1 217 22 22 ASP CB C 40.985 0.3 1 218 22 22 ASP N N 121.811 0.3 1 219 23 23 GLN H H 8.598 0.03 1 220 23 23 GLN HA H 4.224 0.03 1 221 23 23 GLN HB2 H 1.992 0.03 2 222 23 23 GLN HB3 H 1.992 0.03 2 223 23 23 GLN HE21 H 7.736 0.03 2 224 23 23 GLN HE22 H 6.804 0.03 2 225 23 23 GLN HG2 H 2.372 0.03 2 226 23 23 GLN HG3 H 2.475 0.03 2 227 23 23 GLN C C 175.892 0.3 1 228 23 23 GLN CA C 55.203 0.3 1 229 23 23 GLN CB C 28.954 0.3 1 230 23 23 GLN CG C 33.602 0.3 1 231 23 23 GLN N N 119.491 0.3 1 232 23 23 GLN NE2 N 110.983 0.3 1 233 24 24 ALA H H 8.664 0.03 1 234 24 24 ALA HA H 4.030 0.03 1 235 24 24 ALA HB H 1.560 0.03 1 236 24 24 ALA C C 174.386 0.3 1 237 24 24 ALA CA C 51.101 0.3 1 238 24 24 ALA CB C 19.111 0.3 1 239 24 24 ALA N N 129.804 0.3 1 240 25 25 PRO HA H 4.422 0.03 1 241 25 25 PRO HB2 H 1.914 0.03 2 242 25 25 PRO HB3 H 2.297 0.03 2 243 25 25 PRO HD2 H 2.814 0.03 2 244 25 25 PRO HD3 H 3.537 0.03 2 245 25 25 PRO HG2 H 1.693 0.03 2 246 25 25 PRO HG3 H 1.902 0.03 2 247 25 25 PRO C C 173.596 0.3 1 248 25 25 PRO CA C 61.765 0.3 1 249 25 25 PRO CB C 32.509 0.3 1 250 25 25 PRO CD C 50.554 0.3 1 251 25 25 PRO CG C 27.587 0.3 1 252 26 26 ASP H H 7.546 0.03 1 253 26 26 ASP HA H 4.411 0.03 1 254 26 26 ASP HB2 H 2.495 0.03 2 255 26 26 ASP HB3 H 2.573 0.03 2 256 26 26 ASP C C 175.591 0.3 1 257 26 26 ASP CA C 54.656 0.3 1 258 26 26 ASP CB C 42.625 0.3 1 259 26 26 ASP N N 114.979 0.3 1 260 27 27 PHE H H 7.379 0.03 1 261 27 27 PHE HA H 4.659 0.03 1 262 27 27 PHE HB2 H 3.243 0.03 2 263 27 27 PHE C C 173.407 0.3 1 264 27 27 PHE CA C 56.570 0.3 1 265 27 27 PHE CB C 39.891 0.3 1 266 27 27 PHE N N 113.561 0.3 1 267 28 28 THR H H 8.540 0.03 1 268 28 28 THR HA H 4.936 0.03 1 269 28 28 THR HB H 3.880 0.03 1 270 28 28 THR HG2 H 1.137 0.03 1 271 28 28 THR C C 173.443 0.3 1 272 28 28 THR CA C 62.889 0.3 1 273 28 28 THR CB C 72.155 0.3 1 274 28 28 THR CG2 C 21.845 0.3 1 275 28 28 THR N N 114.593 0.3 1 276 29 29 VAL H H 9.120 0.03 1 277 29 29 VAL HA H 4.863 0.03 1 278 29 29 VAL HB H 2.062 0.03 1 279 29 29 VAL HG1 H 0.682 0.03 2 280 29 29 VAL HG2 H 0.983 0.03 2 281 29 29 VAL C C 173.558 0.3 1 282 29 29 VAL CA C 59.527 0.3 1 283 29 29 VAL CB C 35.243 0.3 1 284 29 29 VAL CG1 C 20.752 0.3 1 285 29 29 VAL CG2 C 24.071 0.3 1 286 29 29 VAL N N 119.233 0.3 1 287 30 30 LEU H H 8.565 0.03 1 288 30 30 LEU HA H 5.615 0.03 1 289 30 30 LEU HB2 H 1.753 0.03 2 290 30 30 LEU HB3 H 1.753 0.03 2 291 30 30 LEU HD1 H 0.780 0.03 2 292 30 30 LEU HD2 H 0.780 0.03 2 293 30 30 LEU HG H 1.796 0.03 1 294 30 30 LEU C C 180.310 0.3 1 295 30 30 LEU CA C 53.562 0.3 1 296 30 30 LEU CB C 47.547 0.3 1 297 30 30 LEU CD1 C 24.579 0.3 1 298 30 30 LEU CD2 C 24.579 0.3 1 299 30 30 LEU CG C 26.767 0.3 1 300 30 30 LEU N N 117.429 0.3 1 301 31 31 THR H H 9.587 0.03 1 302 31 31 THR HA H 4.741 0.03 1 303 31 31 THR HB H 4.934 0.03 1 304 31 31 THR HG2 H 1.233 0.03 1 305 31 31 THR C C 176.457 0.3 1 306 31 31 THR CA C 60.632 0.3 1 307 31 31 THR CB C 71.451 0.3 1 308 31 31 THR CG2 C 21.845 0.3 1 309 31 31 THR N N 114.721 0.3 1 310 32 32 ASN H H 9.812 0.03 1 311 32 32 ASN HA H 4.352 0.03 1 312 32 32 ASN HB2 H 2.904 0.03 2 313 32 32 ASN HB3 H 2.904 0.03 2 314 32 32 ASN C C 175.252 0.3 1 315 32 32 ASN CA C 55.476 0.3 1 316 32 32 ASN CB C 38.524 0.3 1 317 32 32 ASN N N 118.460 0.3 1 318 33 33 SER H H 7.782 0.03 1 319 33 33 SER HA H 4.562 0.03 1 320 33 33 SER HB2 H 3.885 0.03 2 321 33 33 SER HB3 H 4.079 0.03 2 322 33 33 SER C C 173.822 0.3 1 323 33 33 SER CA C 57.390 0.3 1 324 33 33 SER CB C 62.859 0.3 1 325 33 33 SER N N 110.725 0.3 1 326 34 34 LEU H H 8.342 0.03 1 327 34 34 LEU HA H 3.686 0.03 1 328 34 34 LEU HB2 H 1.797 0.03 2 329 34 34 LEU HB3 H 2.270 0.03 2 330 34 34 LEU HD1 H 0.859 0.03 2 331 34 34 LEU HD2 H 1.012 0.03 2 332 34 34 LEU HG H 1.506 0.03 1 333 34 34 LEU C C 175.516 0.3 1 334 34 34 LEU CA C 57.117 0.3 1 335 34 34 LEU CB C 37.430 0.3 1 336 34 34 LEU CD1 C 24.306 0.3 1 337 34 34 LEU CD2 C 25.126 0.3 1 338 34 34 LEU CG C 28.407 0.3 1 339 34 34 LEU N N 116.913 0.3 1 340 35 35 GLU H H 7.538 0.03 1 341 35 35 GLU HA H 4.546 0.03 1 342 35 35 GLU HB2 H 1.903 0.03 2 343 35 35 GLU HB3 H 2.062 0.03 2 344 35 35 GLU HG2 H 2.193 0.03 2 345 35 35 GLU HG3 H 2.193 0.03 2 346 35 35 GLU C C 176.005 0.3 1 347 35 35 GLU CA C 54.929 0.3 1 348 35 35 GLU CB C 30.868 0.3 1 349 35 35 GLU CG C 36.610 0.3 1 350 35 35 GLU N N 117.429 0.3 1 351 36 36 GLU H H 8.681 0.03 1 352 36 36 GLU HA H 4.740 0.03 1 353 36 36 GLU HB2 H 1.970 0.03 2 354 36 36 GLU HB3 H 1.823 0.03 2 355 36 36 GLU HG2 H 2.036 0.03 2 356 36 36 GLU HG3 H 2.428 0.03 2 357 36 36 GLU C C 176.833 0.3 1 358 36 36 GLU CA C 56.923 0.3 1 359 36 36 GLU CB C 30.868 0.3 1 360 36 36 GLU CG C 37.430 0.3 1 361 36 36 GLU N N 121.296 0.3 1 362 37 37 LYS H H 9.122 0.03 1 363 37 37 LYS HA H 4.639 0.03 1 364 37 37 LYS HB2 H 1.350 0.03 2 365 37 37 LYS HB3 H 1.404 0.03 2 366 37 37 LYS HD2 H 1.357 0.03 2 367 37 37 LYS HD3 H 1.610 0.03 2 368 37 37 LYS HE2 H 2.740 0.03 2 369 37 37 LYS HE3 H 2.830 0.03 2 370 37 37 LYS HG2 H 1.183 0.03 2 371 37 37 LYS HG3 H 1.370 0.03 2 372 37 37 LYS C C 173.671 0.3 1 373 37 37 LYS CA C 55.476 0.3 1 374 37 37 LYS CB C 35.243 0.3 1 375 37 37 LYS CD C 28.681 0.3 1 376 37 37 LYS CE C 40.985 0.3 1 377 37 37 LYS CG C 24.853 0.3 1 378 37 37 LYS N N 125.292 0.3 1 379 38 38 SER H H 9.337 0.03 1 380 38 38 SER HA H 5.310 0.03 1 381 38 38 SER HB2 H 3.962 0.03 2 382 38 38 SER HB3 H 4.049 0.03 2 383 38 38 SER C C 175.102 0.3 1 384 38 38 SER CA C 56.296 0.3 1 385 38 38 SER CB C 67.233 0.3 1 386 38 38 SER N N 121.811 0.3 1 387 39 39 LEU H H 7.023 0.03 1 388 39 39 LEU HA H 3.872 0.03 1 389 39 39 LEU HB2 H 1.068 0.03 2 390 39 39 LEU HB3 H 1.630 0.03 2 391 39 39 LEU HD1 H 0.916 0.03 2 392 39 39 LEU HD2 H 0.986 0.03 2 393 39 39 LEU HG H 1.452 0.03 1 394 39 39 LEU C C 179.845 0.3 1 395 39 39 LEU CA C 58.210 0.3 1 396 39 39 LEU CB C 40.711 0.3 1 397 39 39 LEU CD1 C 26.220 0.3 1 398 39 39 LEU CD2 C 23.486 0.3 1 399 39 39 LEU CG C 27.314 0.3 1 400 39 39 LEU N N 121.811 0.3 1 401 40 40 ALA H H 8.447 0.03 1 402 40 40 ALA HA H 3.890 0.03 1 403 40 40 ALA HB H 1.343 0.03 1 404 40 40 ALA C C 179.995 0.3 1 405 40 40 ALA CA C 55.203 0.3 1 406 40 40 ALA CB C 18.291 0.3 1 407 40 40 ALA N N 119.362 0.3 1 408 41 41 ASP H H 7.517 0.03 1 409 41 41 ASP HA H 4.469 0.03 1 410 41 41 ASP HB2 H 2.899 0.03 2 411 41 41 ASP HB3 H 2.817 0.03 2 412 41 41 ASP C C 176.720 0.3 1 413 41 41 ASP CA C 56.296 0.3 1 414 41 41 ASP CB C 42.079 0.3 1 415 41 41 ASP N N 114.850 0.3 1 416 42 42 MET H H 7.989 0.03 1 417 42 42 MET HA H 4.336 0.03 1 418 42 42 MET HB2 H 2.172 0.03 2 419 42 42 MET HB3 H 2.405 0.03 2 420 42 42 MET HE H 1.212 0.03 1 421 42 42 MET HG2 H 2.725 0.03 2 422 42 42 MET HG3 H 2.421 0.03 2 423 42 42 MET C C 175.440 0.3 1 424 42 42 MET CA C 56.843 0.3 1 425 42 42 MET CB C 31.962 0.3 1 426 42 42 MET CE C 18.017 0.3 1 427 42 42 MET CG C 33.329 0.3 1 428 42 42 MET N N 118.847 0.3 1 429 43 43 LYS H H 6.901 0.03 1 430 43 43 LYS HA H 4.265 0.03 1 431 43 43 LYS HB2 H 1.793 0.03 2 432 43 43 LYS HB3 H 1.906 0.03 2 433 43 43 LYS HD2 H 1.681 0.03 2 434 43 43 LYS HD3 H 1.681 0.03 2 435 43 43 LYS HE2 H 2.853 0.03 2 436 43 43 LYS HG2 H 1.645 0.03 2 437 43 43 LYS HG3 H 1.327 0.03 2 438 43 43 LYS C C 177.435 0.3 1 439 43 43 LYS CA C 57.664 0.3 1 440 43 43 LYS CB C 33.329 0.3 1 441 43 43 LYS CD C 29.501 0.3 1 442 43 43 LYS CE C 42.079 0.3 1 443 43 43 LYS CG C 25.947 0.3 1 444 43 43 LYS N N 116.913 0.3 1 445 44 44 GLY H H 9.268 0.03 1 446 44 44 GLY HA2 H 3.692 0.03 2 447 44 44 GLY HA3 H 4.596 0.03 2 448 44 44 GLY C C 173.671 0.3 1 449 44 44 GLY CA C 44.813 0.3 1 450 44 44 GLY N N 111.112 0.3 1 451 45 45 LYS H H 7.516 0.03 1 452 45 45 LYS HA H 4.754 0.03 1 453 45 45 LYS HB2 H 1.547 0.03 2 454 45 45 LYS HB3 H 1.870 0.03 2 455 45 45 LYS HD2 H 1.325 0.03 2 456 45 45 LYS HD3 H 1.380 0.03 2 457 45 45 LYS HG2 H 1.313 0.03 2 458 45 45 LYS HG3 H 1.270 0.03 2 459 45 45 LYS C C 175.214 0.3 1 460 45 45 LYS CA C 54.820 0.3 1 461 45 45 LYS CB C 36.883 0.3 1 462 45 45 LYS CD C 28.954 0.3 1 463 45 45 LYS CE C 42.035 0.3 1 464 45 45 LYS CG C 25.126 0.3 1 465 45 45 LYS N N 117.944 0.3 1 466 46 46 VAL H H 8.887 0.03 1 467 46 46 VAL HA H 3.950 0.03 1 468 46 46 VAL HB H 1.968 0.03 1 469 46 46 VAL HG1 H 0.951 0.03 2 470 46 46 VAL HG2 H 1.125 0.03 2 471 46 46 VAL C C 174.876 0.3 1 472 46 46 VAL CA C 64.773 0.3 1 473 46 46 VAL CB C 31.962 0.3 1 474 46 46 VAL CG1 C 20.478 0.3 1 475 46 46 VAL CG2 C 24.306 0.3 1 476 46 46 VAL N N 124.776 0.3 1 477 47 47 THR H H 8.956 0.03 1 478 47 47 THR HA H 5.300 0.03 1 479 47 47 THR HB H 4.030 0.03 1 480 47 47 THR HG2 H 1.444 0.03 1 481 47 47 THR C C 172.579 0.3 1 482 47 47 THR CA C 62.312 0.3 1 483 47 47 THR CB C 73.249 0.3 1 484 47 47 THR CG2 C 21.572 0.3 1 485 47 47 THR N N 124.132 0.3 1 486 48 48 ILE H H 9.160 0.03 1 487 48 48 ILE HA H 4.740 0.03 1 488 48 48 ILE HB H 1.833 0.03 1 489 48 48 ILE HD1 H 0.706 0.03 1 490 48 48 ILE HG12 H 0.988 0.03 1 491 48 48 ILE HG13 H 1.572 0.03 1 492 48 48 ILE HG2 H 0.952 0.03 1 493 48 48 ILE C C 173.972 0.3 1 494 48 48 ILE CA C 61.441 0.3 1 495 48 48 ILE CB C 40.438 0.3 1 496 48 48 ILE CD1 C 15.010 0.3 1 497 48 48 ILE CG1 C 29.228 0.3 1 498 48 48 ILE CG2 C 18.017 0.3 1 499 48 48 ILE N N 128.515 0.3 1 500 49 49 ILE H H 9.507 0.03 1 501 49 49 ILE HA H 4.883 0.03 1 502 49 49 ILE HB H 1.887 0.03 1 503 49 49 ILE HD1 H 0.744 0.03 1 504 49 49 ILE HG12 H 0.835 0.03 1 505 49 49 ILE HG13 H 1.786 0.03 1 506 49 49 ILE HG2 H 0.537 0.03 1 507 49 49 ILE C C 174.650 0.3 1 508 49 49 ILE CA C 60.773 0.3 1 509 49 49 ILE CB C 41.532 0.3 1 510 49 49 ILE CD1 C 13.096 0.3 1 511 49 49 ILE CG1 C 28.681 0.3 1 512 49 49 ILE CG2 C 18.291 0.3 1 513 49 49 ILE N N 126.194 0.3 1 514 50 50 SER H H 9.079 0.03 1 515 50 50 SER HA H 5.138 0.03 1 516 50 50 SER HB2 H 4.127 0.03 2 517 50 50 SER HB3 H 3.930 0.03 2 518 50 50 SER C C 172.692 0.3 1 519 50 50 SER CA C 56.843 0.3 1 520 50 50 SER CB C 64.773 0.3 1 521 50 50 SER N N 121.940 0.3 1 522 51 51 VAL H H 9.010 0.03 1 523 51 51 VAL HA H 4.873 0.03 1 524 51 51 VAL HB H 2.617 0.03 1 525 51 51 VAL HG1 H 0.903 0.03 2 526 51 51 VAL HG2 H 0.873 0.03 2 527 51 51 VAL CA C 61.595 0.3 1 528 51 51 VAL CB C 32.509 0.3 1 529 51 51 VAL CG1 C 23.759 0.3 1 530 51 51 VAL CG2 C 25.126 0.3 1 531 51 51 VAL N N 128.128 0.3 1 532 52 52 ILE H H 8.182 0.03 1 533 52 52 ILE HA H 4.862 0.03 1 534 52 52 ILE HB H 1.391 0.03 1 535 52 52 ILE HD1 H 0.794 0.03 1 536 52 52 ILE HG12 H 0.836 0.03 1 537 52 52 ILE HG2 H 0.655 0.03 1 538 52 52 ILE CA C 58.026 0.3 1 539 52 52 ILE CB C 43.172 0.3 1 540 52 52 ILE CD1 C 13.463 0.3 1 541 52 52 ILE CG1 C 27.404 0.3 1 542 52 52 ILE CG2 C 16.924 0.3 1 543 52 52 ILE N N 124.776 0.3 1 544 53 53 PRO HA H 4.904 0.03 1 545 53 53 PRO HB2 H 2.210 0.03 2 546 53 53 PRO HB3 H 2.051 0.03 2 547 53 53 PRO HD2 H 3.645 0.03 2 548 53 53 PRO HD3 H 3.945 0.03 2 549 53 53 PRO HG2 H 2.230 0.03 2 550 53 53 PRO HG3 H 2.431 0.03 2 551 53 53 PRO CA C 65.560 0.3 1 552 53 53 PRO CB C 31.826 0.3 1 553 53 53 PRO CD C 52.195 0.3 1 554 53 53 PRO CG C 27.040 0.3 1 555 54 54 SER H H 7.214 0.03 1 556 54 54 SER HA H 5.100 0.03 1 557 54 54 SER HB2 H 4.101 0.03 2 558 54 54 SER HB3 H 4.182 0.03 2 559 54 54 SER CA C 57.417 0.3 1 560 54 54 SER CB C 65.195 0.3 1 561 54 54 SER N N 107.901 0.3 1 562 55 55 ILE H H 7.330 0.03 1 563 55 55 ILE HA H 5.075 0.03 1 564 55 55 ILE HB H 1.037 0.03 1 565 55 55 ILE HD1 H 0.505 0.03 1 566 55 55 ILE HG12 H 0.718 0.03 1 567 55 55 ILE HG13 H 1.148 0.03 1 568 55 55 ILE HG2 H 1.503 0.03 1 569 55 55 ILE CA C 61.734 0.3 1 570 55 55 ILE CB C 36.233 0.3 1 571 55 55 ILE CD1 C 14.736 0.3 1 572 55 55 ILE CG1 C 26.765 0.3 1 573 55 55 ILE CG2 C 19.658 0.3 1 574 56 56 ASP H H 8.699 0.03 1 575 56 56 ASP HA H 5.075 0.03 1 576 56 56 ASP HB2 H 2.175 0.03 2 577 56 56 ASP HB3 H 2.858 0.03 2 578 56 56 ASP CA C 54.407 0.3 1 579 56 56 ASP CB C 42.832 0.3 1 580 56 56 ASP N N 121.940 0.3 1 581 57 57 THR H H 7.294 0.03 1 582 57 57 THR HA H 4.323 0.03 1 583 57 57 THR HB H 4.197 0.03 1 584 57 57 THR HG2 H 0.702 0.03 1 585 57 57 THR C C 175.440 0.3 1 586 57 57 THR CA C 61.765 0.3 1 587 57 57 THR CB C 69.421 0.3 1 588 57 57 THR CG2 C 21.025 0.3 1 589 57 57 THR N N 108.921 0.3 1 590 58 58 GLY H H 8.215 0.03 1 591 58 58 GLY HA2 H 4.012 0.03 2 592 58 58 GLY HA3 H 4.012 0.03 2 593 58 58 GLY C C 173.520 0.3 1 594 58 58 GLY CA C 45.360 0.3 1 595 58 58 GLY N N 110.969 0.3 1 596 59 59 VAL H H 7.976 0.03 1 597 59 59 VAL HA H 4.307 0.03 1 598 59 59 VAL HB H 2.146 0.03 1 599 59 59 VAL HG1 H 0.942 0.03 2 600 59 59 VAL HG2 H 0.948 0.03 2 601 59 59 VAL C C 175.854 0.3 1 602 59 59 VAL CA C 61.765 0.3 1 603 59 59 VAL CB C 33.329 0.3 1 604 59 59 VAL CG1 C 20.305 0.3 1 605 59 59 VAL CG2 C 20.925 0.3 1 606 59 59 VAL N N 118.501 0.3 1 607 60 60 CYS HB2 H 2.897 0.03 2 608 61 61 ASP HA H 4.323 0.03 1 609 61 61 ASP CA C 54.382 0.3 1 610 61 61 ASP CB C 39.142 0.3 1 611 62 62 ALA H H 8.663 0.03 1 612 62 62 ALA HA H 3.971 0.03 1 613 62 62 ALA HB H 1.432 0.03 1 614 62 62 ALA C C 180.485 0.3 1 615 62 62 ALA CA C 55.203 0.3 1 616 62 62 ALA CB C 18.838 0.3 1 617 63 63 GLN H H 8.550 0.03 1 618 63 63 GLN HA H 3.865 0.03 1 619 63 63 GLN HB2 H 2.047 0.03 2 620 63 63 GLN HB3 H 1.758 0.03 2 621 63 63 GLN HE21 H 7.486 0.03 2 622 63 63 GLN HE22 H 6.671 0.03 2 623 63 63 GLN HG2 H 2.215 0.03 2 624 63 63 GLN HG3 H 2.291 0.03 2 625 63 63 GLN C C 178.527 0.3 1 626 63 63 GLN CA C 59.346 0.3 1 627 63 63 GLN CB C 28.635 0.3 1 628 63 63 GLN CG C 34.784 0.3 1 629 63 63 GLN N N 117.429 0.3 1 630 63 63 GLN NE2 N 111.567 0.3 1 631 64 64 THR H H 8.121 0.03 1 632 64 64 THR HA H 3.624 0.03 1 633 64 64 THR HB H 4.245 0.03 1 634 64 64 THR HG2 H 1.451 0.03 1 635 64 64 THR C C 178.527 0.3 1 636 64 64 THR CA C 66.686 0.3 1 637 64 64 THR CB C 68.600 0.3 1 638 64 64 THR CG2 C 22.666 0.3 1 639 64 64 THR N N 118.460 0.3 1 640 65 65 ARG H H 7.530 0.03 1 641 65 65 ARG HA H 3.904 0.03 1 642 65 65 ARG HB2 H 1.788 0.03 2 643 65 65 ARG HD2 H 3.052 0.03 2 644 65 65 ARG HD3 H 3.002 0.03 2 645 65 65 ARG HG2 H 1.507 0.03 2 646 65 65 ARG HG3 H 1.507 0.03 2 647 65 65 ARG CA C 59.507 0.3 1 648 65 65 ARG CB C 29.637 0.3 1 649 65 65 ARG CD C 43.038 0.3 1 650 65 65 ARG CG C 27.587 0.3 1 651 66 66 ARG H H 7.972 0.03 1 652 66 66 ARG HA H 4.056 0.03 1 653 66 66 ARG HB2 H 1.829 0.03 2 654 66 66 ARG HB3 H 1.829 0.03 2 655 66 66 ARG HD2 H 3.160 0.03 2 656 66 66 ARG HD3 H 3.196 0.03 2 657 66 66 ARG HG2 H 1.587 0.03 2 658 66 66 ARG HG3 H 1.705 0.03 2 659 66 66 ARG C C 177.624 0.3 1 660 66 66 ARG CA C 59.031 0.3 1 661 66 66 ARG CB C 29.228 0.3 1 662 66 66 ARG CD C 43.172 0.3 1 663 66 66 ARG CG C 27.587 0.3 1 664 66 66 ARG N N 118.460 0.3 1 665 67 67 PHE H H 7.673 0.03 1 666 67 67 PHE HA H 4.260 0.03 1 667 67 67 PHE HB2 H 2.830 0.03 2 668 67 67 PHE HB3 H 3.025 0.03 2 669 67 67 PHE HD1 H 6.905 0.03 3 670 67 67 PHE HE1 H 7.195 0.03 3 671 67 67 PHE C C 176.043 0.3 1 672 67 67 PHE CA C 60.945 0.3 1 673 67 67 PHE CB C 39.071 0.3 1 674 67 67 PHE N N 119.362 0.3 1 675 68 68 ASN H H 7.688 0.03 1 676 68 68 ASN HA H 4.150 0.03 1 677 68 68 ASN HB2 H 2.555 0.03 2 678 68 68 ASN HB3 H 2.960 0.03 2 679 68 68 ASN C C 177.172 0.3 1 680 68 68 ASN CA C 55.750 0.3 1 681 68 68 ASN CB C 37.977 0.3 1 682 68 68 ASN N N 117.042 0.3 1 683 69 69 GLU H H 8.185 0.03 1 684 69 69 GLU HA H 3.848 0.03 1 685 69 69 GLU HB2 H 1.966 0.03 2 686 69 69 GLU HB3 H 2.202 0.03 2 687 69 69 GLU HG2 H 2.423 0.03 2 688 69 69 GLU HG3 H 2.093 0.03 2 689 69 69 GLU C C 179.468 0.3 1 690 69 69 GLU CA C 59.577 0.3 1 691 69 69 GLU CB C 30.321 0.3 1 692 69 69 GLU CG C 36.883 0.3 1 693 69 69 GLU N N 118.975 0.3 1 694 70 70 GLU H H 8.671 0.03 1 695 70 70 GLU HA H 3.807 0.03 1 696 70 70 GLU HB2 H 2.019 0.03 2 697 70 70 GLU HB3 H 1.911 0.03 2 698 70 70 GLU HG2 H 2.324 0.03 2 699 70 70 GLU HG3 H 2.324 0.03 2 700 70 70 GLU C C 179.468 0.3 1 701 70 70 GLU CA C 58.757 0.3 1 702 70 70 GLU CB C 29.501 0.3 1 703 70 70 GLU CG C 36.883 0.3 1 704 70 70 GLU N N 118.975 0.3 1 705 71 71 ALA H H 8.418 0.03 1 706 71 71 ALA HA H 3.616 0.03 1 707 71 71 ALA HB H 0.952 0.03 1 708 71 71 ALA C C 178.226 0.3 1 709 71 71 ALA CA C 54.656 0.3 1 710 71 71 ALA CB C 18.017 0.3 1 711 71 71 ALA N N 122.069 0.3 1 712 72 72 ALA H H 7.520 0.03 1 713 72 72 ALA HA H 3.842 0.03 1 714 72 72 ALA HB H 1.419 0.03 1 715 72 72 ALA C C 179.280 0.3 1 716 72 72 ALA CA C 54.109 0.3 1 717 72 72 ALA CB C 18.564 0.3 1 718 72 72 ALA N N 116.139 0.3 1 719 73 73 LYS H H 7.302 0.03 1 720 73 73 LYS HA H 4.129 0.03 1 721 73 73 LYS HB2 H 1.834 0.03 2 722 73 73 LYS HB3 H 1.933 0.03 2 723 73 73 LYS HD2 H 1.642 0.03 2 724 73 73 LYS HD3 H 1.642 0.03 2 725 73 73 LYS HE2 H 2.892 0.03 2 726 73 73 LYS HE3 H 2.892 0.03 2 727 73 73 LYS HG2 H 1.659 0.03 2 728 73 73 LYS HG3 H 1.487 0.03 2 729 73 73 LYS C C 177.661 0.3 1 730 73 73 LYS CA C 57.116 0.3 1 731 73 73 LYS CB C 32.782 0.3 1 732 73 73 LYS CD C 29.501 0.3 1 733 73 73 LYS CE C 42.062 0.3 1 734 73 73 LYS CG C 25.400 0.3 1 735 73 73 LYS N N 114.850 0.3 1 736 74 74 LEU H H 7.398 0.03 1 737 74 74 LEU HA H 3.983 0.03 1 738 74 74 LEU HB2 H 1.270 0.03 2 739 74 74 LEU HB3 H 1.866 0.03 2 740 74 74 LEU HD1 H 0.843 0.03 2 741 74 74 LEU HD2 H 0.796 0.03 2 742 74 74 LEU HG H 2.055 0.03 1 743 74 74 LEU C C 177.021 0.3 1 744 74 74 LEU CA C 56.843 0.3 1 745 74 74 LEU CB C 42.625 0.3 1 746 74 74 LEU CD1 C 26.767 0.3 1 747 74 74 LEU CD2 C 23.212 0.3 1 748 74 74 LEU CG C 26.220 0.3 1 749 74 74 LEU N N 118.460 0.3 1 750 75 75 GLY H H 7.174 0.03 1 751 75 75 GLY HA2 H 4.215 0.03 2 752 75 75 GLY HA3 H 3.630 0.03 2 753 75 75 GLY C C 172.805 0.3 1 754 75 75 GLY CA C 45.360 0.3 1 755 75 75 GLY N N 102.991 0.3 1 756 76 76 ASP H H 8.825 0.03 1 757 76 76 ASP HA H 4.766 0.03 1 758 76 76 ASP HB2 H 2.504 0.03 2 759 76 76 ASP HB3 H 2.890 0.03 2 760 76 76 ASP C C 173.749 0.3 1 761 76 76 ASP CA C 53.708 0.3 1 762 76 76 ASP CB C 39.071 0.3 1 763 76 76 ASP N N 126.839 0.3 1 764 77 77 VAL H H 7.511 0.03 1 765 77 77 VAL HA H 4.772 0.03 1 766 77 77 VAL HB H 1.905 0.03 1 767 77 77 VAL HG1 H 0.641 0.03 2 768 77 77 VAL HG2 H 0.641 0.03 2 769 77 77 VAL C C 175.629 0.3 1 770 77 77 VAL CA C 58.959 0.3 1 771 77 77 VAL CB C 34.970 0.3 1 772 77 77 VAL CG1 C 19.111 0.3 1 773 77 77 VAL CG2 C 21.845 0.3 1 774 77 77 VAL N N 115.615 0.3 1 775 78 78 ASN H H 8.822 0.03 1 776 78 78 ASN HA H 4.820 0.03 1 777 78 78 ASN HB2 H 2.270 0.03 2 778 78 78 ASN HB3 H 2.940 0.03 2 779 78 78 ASN HD21 H 7.141 0.03 2 780 78 78 ASN HD22 H 7.373 0.03 2 781 78 78 ASN C C 174.047 0.3 1 782 78 78 ASN CA C 52.085 0.3 1 783 78 78 ASN CB C 40.438 0.3 1 784 78 78 ASN N N 120.393 0.3 1 785 78 78 ASN ND2 N 115.726 0.3 1 786 79 79 VAL H H 8.044 0.03 1 787 79 79 VAL HA H 4.669 0.03 1 788 79 79 VAL HB H 1.998 0.03 1 789 79 79 VAL HG1 H 0.800 0.03 2 790 79 79 VAL HG2 H 0.618 0.03 2 791 79 79 VAL C C 174.123 0.3 1 792 79 79 VAL CA C 61.491 0.3 1 793 79 79 VAL CB C 33.329 0.3 1 794 79 79 VAL CG1 C 21.845 0.3 1 795 79 79 VAL CG2 C 21.298 0.3 1 796 79 79 VAL N N 122.456 0.3 1 797 80 80 TYR H H 8.944 0.03 1 798 80 80 TYR HA H 6.170 0.03 1 799 80 80 TYR HB2 H 2.447 0.03 2 800 80 80 TYR HB3 H 2.763 0.03 2 801 80 80 TYR HD1 H 6.941 0.03 3 802 80 80 TYR HE1 H 6.790 0.03 3 803 80 80 TYR C C 177.210 0.3 1 804 80 80 TYR CA C 54.929 0.3 1 805 80 80 TYR CB C 42.899 0.3 1 806 80 80 TYR N N 123.229 0.3 1 807 81 81 THR H H 8.465 0.03 1 808 81 81 THR HA H 5.652 0.03 1 809 81 81 THR HB H 3.773 0.03 1 810 81 81 THR HG2 H 0.758 0.03 1 811 81 81 THR C C 172.880 0.3 1 812 81 81 THR CA C 62.038 0.3 1 813 81 81 THR CB C 71.608 0.3 1 814 81 81 THR CG2 C 20.478 0.3 1 815 81 81 THR N N 119.491 0.3 1 816 82 82 ILE H H 8.958 0.03 1 817 82 82 ILE HA H 5.145 0.03 1 818 82 82 ILE HB H 0.876 0.03 1 819 82 82 ILE HD1 H -0.602 0.03 1 820 82 82 ILE HG12 H 1.007 0.03 1 821 82 82 ILE HG13 H 0.498 0.03 1 822 82 82 ILE HG2 H 0.159 0.03 1 823 82 82 ILE C C 174.123 0.3 1 824 82 82 ILE CA C 59.847 0.3 1 825 82 82 ILE CB C 39.618 0.3 1 826 82 82 ILE CD1 C 11.729 0.3 1 827 82 82 ILE CG1 C 27.040 0.3 1 828 82 82 ILE CG2 C 16.377 0.3 1 829 82 82 ILE N N 125.550 0.3 1 830 83 83 SER H H 7.731 0.03 1 831 83 83 SER HA H 4.909 0.03 1 832 83 83 SER HB2 H 3.658 0.03 2 833 83 83 SER HB3 H 3.658 0.03 2 834 83 83 SER C C 173.182 0.3 1 835 83 83 SER CA C 57.034 0.3 1 836 83 83 SER CB C 68.054 0.3 1 837 83 83 SER N N 117.171 0.3 1 838 84 84 ALA H H 9.548 0.03 1 839 84 84 ALA HA H 4.177 0.03 1 840 84 84 ALA HB H 1.523 0.03 1 841 84 84 ALA C C 175.290 0.3 1 842 84 84 ALA CA C 51.922 0.3 1 843 84 84 ALA CB C 19.111 0.3 1 844 84 84 ALA N N 120.651 0.3 1 845 85 85 ASP H H 7.739 0.03 1 846 85 85 ASP HA H 4.380 0.03 1 847 85 85 ASP HB2 H 2.714 0.03 2 848 85 85 ASP HB3 H 2.714 0.03 2 849 85 85 ASP C C 175.591 0.3 1 850 85 85 ASP CA C 55.136 0.3 1 851 85 85 ASP CB C 43.011 0.3 1 852 85 85 ASP N N 114.721 0.3 1 853 86 86 LEU H H 8.475 0.03 1 854 86 86 LEU HA H 3.956 0.03 1 855 86 86 LEU HB2 H 2.209 0.03 2 856 86 86 LEU HB3 H 1.530 0.03 2 857 86 86 LEU HD1 H 0.421 0.03 2 858 86 86 LEU HD2 H 1.012 0.03 2 859 86 86 LEU HG H 1.718 0.03 1 860 86 86 LEU CA C 54.656 0.3 1 861 86 86 LEU CB C 39.380 0.3 1 862 86 86 LEU CD1 C 22.392 0.3 1 863 86 86 LEU CD2 C 25.947 0.3 1 864 86 86 LEU CG C 27.496 0.3 1 865 87 87 PRO HA H 4.225 0.03 1 866 87 87 PRO HB2 H 1.107 0.03 2 867 87 87 PRO HB3 H 2.678 0.03 2 868 87 87 PRO HD2 H 3.641 0.03 2 869 87 87 PRO HD3 H 3.641 0.03 2 870 87 87 PRO HG2 H 2.019 0.03 2 871 87 87 PRO HG3 H 2.019 0.03 2 872 87 87 PRO CA C 65.046 0.3 1 873 87 87 PRO CB C 32.264 0.3 1 874 87 87 PRO CD C 49.808 0.3 1 875 87 87 PRO CG C 27.348 0.3 1 876 88 88 PHE H H 5.565 0.03 1 877 88 88 PHE HA H 4.340 0.03 1 878 88 88 PHE HB2 H 2.722 0.03 2 879 88 88 PHE HB3 H 3.534 0.03 2 880 88 88 PHE CA C 57.664 0.3 1 881 88 88 PHE CB C 39.344 0.3 1 882 88 88 PHE N N 110.725 0.3 1 883 89 89 ALA H H 7.381 0.03 1 884 89 89 ALA HA H 4.239 0.03 1 885 89 89 ALA HB H 1.505 0.03 1 886 89 89 ALA CA C 52.009 0.3 1 887 89 89 ALA CB C 19.761 0.3 1 888 89 89 ALA N N 114.850 0.3 1 889 90 90 GLN H H 7.231 0.03 1 890 90 90 GLN HA H 3.695 0.03 1 891 90 90 GLN HB2 H 2.023 0.03 2 892 90 90 GLN HB3 H 2.063 0.03 2 893 90 90 GLN HE21 H 7.240 0.03 2 894 90 90 GLN HE22 H 6.642 0.03 2 895 90 90 GLN HG2 H 2.196 0.03 2 896 90 90 GLN CA C 59.578 0.3 1 897 90 90 GLN CB C 28.728 0.3 1 898 90 90 GLN CG C 35.389 0.3 1 899 90 90 GLN NE2 N 109.901 0.3 1 900 91 91 ALA H H 7.741 0.03 1 901 91 91 ALA HA H 4.202 0.03 1 902 91 91 ALA HB H 1.470 0.03 1 903 91 91 ALA CA C 54.382 0.3 1 904 91 91 ALA CB C 18.837 0.3 1 905 91 91 ALA N N 118.589 0.3 1 906 92 92 ARG H H 7.354 0.03 1 907 92 92 ARG HA H 4.588 0.03 1 908 92 92 ARG HB2 H 1.990 0.03 2 909 92 92 ARG HB3 H 1.990 0.03 2 910 92 92 ARG HD2 H 3.224 0.03 2 911 92 92 ARG HD3 H 3.224 0.03 2 912 92 92 ARG HG2 H 1.768 0.03 2 913 92 92 ARG HG3 H 1.768 0.03 2 914 92 92 ARG CA C 55.476 0.3 1 915 92 92 ARG CB C 30.048 0.3 1 916 92 92 ARG CD C 43.172 0.3 1 917 92 92 ARG CG C 27.581 0.3 1 918 93 93 TRP H H 7.767 0.03 1 919 93 93 TRP HA H 4.881 0.03 1 920 93 93 TRP HB2 H 3.250 0.03 2 921 93 93 TRP HB3 H 3.488 0.03 2 922 93 93 TRP HD1 H 7.519 0.03 1 923 93 93 TRP HE1 H 10.227 0.03 1 924 93 93 TRP HE3 H 6.799 0.03 1 925 93 93 TRP HZ3 H 7.230 0.03 1 926 93 93 TRP CA C 57.534 0.3 1 927 93 93 TRP CB C 29.501 0.3 1 928 93 93 TRP N N 121.927 0.3 1 929 93 93 TRP NE1 N 131.866 0.3 1 930 94 94 CYS HA H 3.901 0.03 1 931 94 94 CYS HB2 H 2.993 0.03 2 932 94 94 CYS HB3 H 2.993 0.03 2 933 94 94 CYS CA C 59.577 0.3 1 934 94 94 CYS CB C 43.446 0.3 1 935 95 95 GLY HA2 H 5.122 0.03 2 936 95 95 GLY HA3 H 3.691 0.03 2 937 95 95 GLY CA C 45.511 0.3 1 938 96 96 ALA H H 7.504 0.03 1 939 96 96 ALA HA H 4.412 0.03 1 940 96 96 ALA HB H 1.486 0.03 1 941 96 96 ALA CA C 51.699 0.3 1 942 96 96 ALA CB C 21.025 0.3 1 943 96 96 ALA N N 121.579 0.3 1 944 97 97 ASN H H 7.345 0.03 1 945 97 97 ASN HA H 4.551 0.03 1 946 97 97 ASN HB2 H 2.694 0.03 2 947 97 97 ASN HB3 H 2.694 0.03 2 948 97 97 ASN HD21 H 6.877 0.03 2 949 97 97 ASN HD22 H 7.531 0.03 2 950 97 97 ASN CA C 54.929 0.3 1 951 97 97 ASN CB C 39.071 0.3 1 952 97 97 ASN ND2 N 112.272 0.3 1 953 98 98 GLY H H 8.890 0.03 1 954 98 98 GLY HA2 H 3.796 0.03 2 955 98 98 GLY HA3 H 4.070 0.03 2 956 98 98 GLY C C 174.160 0.3 1 957 98 98 GLY CA C 45.841 0.3 1 958 99 99 ILE H H 7.739 0.03 1 959 99 99 ILE HA H 4.198 0.03 1 960 99 99 ILE HB H 1.672 0.03 1 961 99 99 ILE HD1 H 0.703 0.03 1 962 99 99 ILE HG12 H 1.280 0.03 1 963 99 99 ILE HG13 H 1.280 0.03 1 964 99 99 ILE HG2 H 0.825 0.03 1 965 99 99 ILE C C 175.561 0.3 1 966 99 99 ILE CA C 60.671 0.3 1 967 99 99 ILE CB C 38.524 0.3 1 968 99 99 ILE CD1 C 14.190 0.3 1 969 99 99 ILE CG1 C 26.493 0.3 1 970 99 99 ILE CG2 C 18.564 0.3 1 971 99 99 ILE N N 120.780 0.3 1 972 100 100 ASP H H 8.372 0.03 1 973 100 100 ASP HA H 4.426 0.03 1 974 100 100 ASP HB2 H 2.640 0.03 2 975 100 100 ASP HB3 H 2.640 0.03 2 976 100 100 ASP C C 176.325 0.3 1 977 100 100 ASP CA C 56.023 0.3 1 978 100 100 ASP CB C 40.985 0.3 1 979 100 100 ASP N N 126.194 0.3 1 980 101 101 LYS H H 8.081 0.03 1 981 101 101 LYS HA H 4.052 0.03 1 982 101 101 LYS HB2 H 2.040 0.03 2 983 101 101 LYS HB3 H 2.040 0.03 2 984 101 101 LYS HD2 H 1.887 0.03 2 985 101 101 LYS HD3 H 1.808 0.03 2 986 101 101 LYS HE2 H 3.128 0.03 2 987 101 101 LYS HE3 H 3.128 0.03 2 988 101 101 LYS HG2 H 1.520 0.03 2 989 101 101 LYS HG3 H 1.449 0.03 2 990 101 101 LYS C C 175.874 0.3 1 991 101 101 LYS CA C 58.210 0.3 1 992 101 101 LYS CB C 31.689 0.3 1 993 101 101 LYS CD C 28.954 0.3 1 994 101 101 LYS CE C 42.352 0.3 1 995 101 101 LYS CG C 25.400 0.3 1 996 101 101 LYS N N 115.366 0.3 1 997 102 102 VAL H H 7.631 0.03 1 998 102 102 VAL HA H 4.419 0.03 1 999 102 102 VAL HB H 2.032 0.03 1 1000 102 102 VAL HG1 H 0.874 0.03 2 1001 102 102 VAL HG2 H 0.800 0.03 2 1002 102 102 VAL C C 175.145 0.3 1 1003 102 102 VAL CA C 61.919 0.3 1 1004 102 102 VAL CB C 32.782 0.3 1 1005 102 102 VAL CG1 C 21.025 0.3 1 1006 102 102 VAL CG2 C 22.119 0.3 1 1007 102 102 VAL N N 119.362 0.3 1 1008 103 103 GLU H H 8.489 0.03 1 1009 103 103 GLU HA H 4.931 0.03 1 1010 103 103 GLU HB2 H 2.123 0.03 2 1011 103 103 GLU HB3 H 2.189 0.03 2 1012 103 103 GLU HG2 H 2.315 0.03 2 1013 103 103 GLU HG3 H 2.447 0.03 2 1014 103 103 GLU C C 175.943 0.3 1 1015 103 103 GLU CA C 55.140 0.3 1 1016 103 103 GLU CB C 33.329 0.3 1 1017 103 103 GLU CG C 36.610 0.3 1 1018 103 103 GLU N N 126.581 0.3 1 1019 104 104 THR H H 8.690 0.03 1 1020 104 104 THR HA H 5.292 0.03 1 1021 104 104 THR HB H 3.802 0.03 1 1022 104 104 THR HG2 H 1.210 0.03 1 1023 104 104 THR C C 173.165 0.3 1 1024 104 104 THR CA C 58.757 0.3 1 1025 104 104 THR CB C 69.967 0.3 1 1026 104 104 THR CG2 C 22.939 0.3 1 1027 104 104 THR N N 114.979 0.3 1 1028 105 105 LEU H H 8.635 0.03 1 1029 105 105 LEU HA H 4.979 0.03 1 1030 105 105 LEU HB2 H 1.039 0.03 2 1031 105 105 LEU HB3 H 1.274 0.03 2 1032 105 105 LEU HD1 H -0.077 0.03 2 1033 105 105 LEU HD2 H 0.692 0.03 2 1034 105 105 LEU HG H 1.320 0.03 1 1035 105 105 LEU C C 176.985 0.3 1 1036 105 105 LEU CA C 52.849 0.3 1 1037 105 105 LEU CB C 45.633 0.3 1 1038 105 105 LEU CD1 C 25.400 0.3 1 1039 105 105 LEU CD2 C 24.033 0.3 1 1040 105 105 LEU CG C 26.493 0.3 1 1041 105 105 LEU N N 119.233 0.3 1 1042 106 106 SER H H 9.670 0.03 1 1043 106 106 SER HA H 5.485 0.03 1 1044 106 106 SER HB2 H 3.733 0.03 2 1045 106 106 SER HB3 H 3.830 0.03 2 1046 106 106 SER C C 176.256 0.3 1 1047 106 106 SER CA C 56.570 0.3 1 1048 106 106 SER CB C 65.593 0.3 1 1049 106 106 SER N N 114.979 0.3 1 1050 107 107 ASP H H 8.764 0.03 1 1051 107 107 ASP HA H 5.517 0.03 1 1052 107 107 ASP HB2 H 1.842 0.03 2 1053 107 107 ASP HB3 H 2.505 0.03 2 1054 107 107 ASP CA C 52.753 0.3 1 1055 107 107 ASP CB C 45.086 0.3 1 1056 107 107 ASP N N 132.898 0.3 1 1057 108 108 HIS H H 7.940 0.03 1 1058 108 108 HIS HA H 4.075 0.03 1 1059 108 108 HIS HB2 H 2.656 0.03 2 1060 108 108 HIS CA C 59.577 0.3 1 1061 108 108 HIS CB C 29.861 0.3 1 1062 108 108 HIS N N 116.397 0.3 1 1063 109 109 ARG HA H 4.214 0.03 1 1064 109 109 ARG HB2 H 1.536 0.03 2 1065 109 109 ARG HB3 H 1.866 0.03 2 1066 109 109 ARG CA C 59.031 0.3 1 1067 109 109 ARG CB C 27.861 0.3 1 1068 110 110 ASP HA H 4.867 0.03 1 1069 110 110 ASP HB2 H 2.551 0.03 2 1070 110 110 ASP HB3 H 2.696 0.03 2 1071 110 110 ASP C C 175.735 0.3 1 1072 110 110 ASP CA C 53.708 0.3 1 1073 110 110 ASP CB C 43.875 0.3 1 1074 111 111 MET H H 7.899 0.03 1 1075 111 111 MET HA H 4.503 0.03 1 1076 111 111 MET HB2 H 1.844 0.03 2 1077 111 111 MET HB3 H 1.844 0.03 2 1078 111 111 MET HE H 1.341 0.03 1 1079 111 111 MET C C 177.332 0.3 1 1080 111 111 MET CA C 56.570 0.3 1 1081 111 111 MET CB C 30.868 0.3 1 1082 111 111 MET CE C 19.000 0.3 1 1083 111 111 MET CG C 32.264 0.3 1 1084 111 111 MET N N 116.397 0.3 1 1085 112 112 SER H H 7.931 0.03 1 1086 112 112 SER HA H 4.248 0.03 1 1087 112 112 SER HB2 H 4.162 0.03 2 1088 112 112 SER HB3 H 4.355 0.03 2 1089 112 112 SER C C 179.173 0.3 1 1090 112 112 SER CA C 60.945 0.3 1 1091 112 112 SER CB C 64.499 0.3 1 1092 112 112 SER N N 113.561 0.3 1 1093 113 113 PHE H H 10.125 0.03 1 1094 113 113 PHE HA H 3.593 0.03 1 1095 113 113 PHE HB2 H 2.247 0.03 2 1096 113 113 PHE HB3 H 2.378 0.03 2 1097 113 113 PHE HD1 H 7.022 0.03 3 1098 113 113 PHE HE1 H 7.242 0.03 3 1099 113 113 PHE C C 177.437 0.3 1 1100 113 113 PHE CA C 62.312 0.3 1 1101 113 113 PHE CB C 37.704 0.3 1 1102 113 113 PHE N N 125.550 0.3 1 1103 114 114 GLY H H 10.707 0.03 1 1104 114 114 GLY HA2 H 3.396 0.03 2 1105 114 114 GLY HA3 H 3.218 0.03 2 1106 114 114 GLY C C 175.735 0.3 1 1107 114 114 GLY CA C 48.641 0.3 1 1108 114 114 GLY N N 109.178 0.3 1 1109 115 115 GLU H H 8.251 0.03 1 1110 115 115 GLU HA H 4.431 0.03 1 1111 115 115 GLU HB2 H 2.217 0.03 2 1112 115 115 GLU HB3 H 2.166 0.03 2 1113 115 115 GLU HG2 H 2.314 0.03 2 1114 115 115 GLU HG3 H 2.314 0.03 2 1115 115 115 GLU C C 178.756 0.3 1 1116 115 115 GLU CA C 59.031 0.3 1 1117 115 115 GLU CB C 29.775 0.3 1 1118 115 115 GLU CG C 36.610 0.3 1 1119 115 115 GLU N N 120.522 0.3 1 1120 116 116 ALA H H 7.895 0.03 1 1121 116 116 ALA HA H 4.111 0.03 1 1122 116 116 ALA HB H 1.623 0.03 1 1123 116 116 ALA C C 177.610 0.3 1 1124 116 116 ALA CA C 55.476 0.3 1 1125 116 116 ALA CB C 18.838 0.3 1 1126 116 116 ALA N N 123.100 0.3 1 1127 117 117 PHE H H 8.161 0.03 1 1128 117 117 PHE HA H 4.262 0.03 1 1129 117 117 PHE HB2 H 1.655 0.03 2 1130 117 117 PHE HB3 H 2.490 0.03 2 1131 117 117 PHE HD1 H 5.733 0.03 3 1132 117 117 PHE HE1 H 6.887 0.03 3 1133 117 117 PHE C C 175.353 0.3 1 1134 117 117 PHE CA C 56.843 0.3 1 1135 117 117 PHE CB C 38.251 0.3 1 1136 117 117 PHE N N 113.432 0.3 1 1137 118 118 GLY H H 7.685 0.03 1 1138 118 118 GLY HA2 H 3.544 0.03 2 1139 118 118 GLY HA3 H 4.362 0.03 2 1140 118 118 GLY C C 174.901 0.3 1 1141 118 118 GLY CA C 47.274 0.3 1 1142 118 118 GLY N N 112.143 0.3 1 1143 119 119 VAL H H 8.380 0.03 1 1144 119 119 VAL HA H 4.788 0.03 1 1145 119 119 VAL HB H 2.788 0.03 1 1146 119 119 VAL HG1 H 0.879 0.03 2 1147 119 119 VAL HG2 H 1.245 0.03 2 1148 119 119 VAL C C 174.901 0.3 1 1149 119 119 VAL CA C 59.532 0.3 1 1150 119 119 VAL CB C 32.509 0.3 1 1151 119 119 VAL CG1 C 21.025 0.3 1 1152 119 119 VAL CG2 C 22.939 0.3 1 1153 119 119 VAL N N 102.475 0.3 1 1154 120 120 TYR H H 6.841 0.03 1 1155 120 120 TYR HA H 4.484 0.03 1 1156 120 120 TYR HB2 H 2.597 0.03 2 1157 120 120 TYR HB3 H 3.342 0.03 2 1158 120 120 TYR HD1 H 6.877 0.03 3 1159 120 120 TYR HE1 H 6.846 0.03 3 1160 120 120 TYR C C 173.443 0.3 1 1161 120 120 TYR CA C 54.929 0.3 1 1162 120 120 TYR CB C 37.704 0.3 1 1163 120 120 TYR N N 124.518 0.3 1 1164 121 121 ILE H H 9.244 0.03 1 1165 121 121 ILE HA H 4.419 0.03 1 1166 121 121 ILE HB H 1.913 0.03 1 1167 121 121 ILE HD1 H 0.667 0.03 1 1168 121 121 ILE HG12 H 1.983 0.03 1 1169 121 121 ILE HG13 H 1.983 0.03 1 1170 121 121 ILE HG2 H 0.987 0.03 1 1171 121 121 ILE C C 176.221 0.3 1 1172 121 121 ILE CA C 62.014 0.3 1 1173 121 121 ILE CB C 37.704 0.3 1 1174 121 121 ILE CD1 C 12.822 0.3 1 1175 121 121 ILE CG1 C 27.587 0.3 1 1176 121 121 ILE CG2 C 18.837 0.3 1 1177 121 121 ILE N N 128.772 0.3 1 1178 122 122 LYS H H 9.328 0.03 1 1179 122 122 LYS HA H 3.588 0.03 1 1180 122 122 LYS HB2 H 1.350 0.03 2 1181 122 122 LYS HB3 H 1.610 0.03 2 1182 122 122 LYS HD2 H 1.397 0.03 2 1183 122 122 LYS HD3 H 1.463 0.03 2 1184 122 122 LYS HE2 H 2.858 0.03 2 1185 122 122 LYS HE3 H 2.858 0.03 2 1186 122 122 LYS HG2 H 1.082 0.03 2 1187 122 122 LYS HG3 H 1.236 0.03 2 1188 122 122 LYS C C 179.069 0.3 1 1189 122 122 LYS CA C 60.124 0.3 1 1190 122 122 LYS CB C 33.329 0.3 1 1191 122 122 LYS CD C 29.228 0.3 1 1192 122 122 LYS CE C 42.079 0.3 1 1193 122 122 LYS CG C 24.306 0.3 1 1194 122 122 LYS N N 134.955 0.3 1 1195 123 123 GLU H H 10.228 0.03 1 1196 123 123 GLU HA H 3.919 0.03 1 1197 123 123 GLU HB2 H 1.921 0.03 2 1198 123 123 GLU HB3 H 2.040 0.03 2 1199 123 123 GLU HG2 H 2.319 0.03 2 1200 123 123 GLU HG3 H 2.785 0.03 2 1201 123 123 GLU C C 176.638 0.3 1 1202 123 123 GLU CA C 61.218 0.3 1 1203 123 123 GLU CB C 29.228 0.3 1 1204 123 123 GLU CG C 37.704 0.3 1 1205 123 123 GLU N N 115.624 0.3 1 1206 124 124 LEU H H 6.480 0.03 1 1207 124 124 LEU HA H 4.464 0.03 1 1208 124 124 LEU HB2 H 1.079 0.03 2 1209 124 124 LEU HB3 H 1.433 0.03 2 1210 124 124 LEU HD1 H 0.064 0.03 2 1211 124 124 LEU HD2 H 0.657 0.03 2 1212 124 124 LEU HG H 1.251 0.03 1 1213 124 124 LEU C C 175.403 0.3 1 1214 124 124 LEU CA C 53.562 0.3 1 1215 124 124 LEU CB C 44.813 0.3 1 1216 124 124 LEU CD1 C 24.853 0.3 1 1217 124 124 LEU CD2 C 22.392 0.3 1 1218 124 124 LEU CG C 26.767 0.3 1 1219 124 124 LEU N N 110.434 0.3 1 1220 125 125 ARG H H 8.701 0.03 1 1221 125 125 ARG HA H 3.783 0.03 1 1222 125 125 ARG HB2 H 1.360 0.03 2 1223 125 125 ARG HB3 H 1.612 0.03 2 1224 125 125 ARG C C 173.029 0.3 1 1225 125 125 ARG CA C 57.664 0.3 1 1226 125 125 ARG CB C 30.965 0.3 1 1227 125 125 ARG N N 121.940 0.3 1 1228 126 126 LEU H H 6.671 0.03 1 1229 126 126 LEU HA H 4.621 0.03 1 1230 126 126 LEU HB2 H 1.194 0.03 2 1231 126 126 LEU HB3 H 1.548 0.03 2 1232 126 126 LEU HD1 H 1.140 0.03 2 1233 126 126 LEU HD2 H 0.777 0.03 2 1234 126 126 LEU HG H 1.746 0.03 1 1235 126 126 LEU C C 174.203 0.3 1 1236 126 126 LEU CA C 51.922 0.3 1 1237 126 126 LEU CB C 46.727 0.3 1 1238 126 126 LEU CD1 C 23.486 0.3 1 1239 126 126 LEU CD2 C 25.673 0.3 1 1240 126 126 LEU CG C 25.673 0.3 1 1241 126 126 LEU N N 111.885 0.3 1 1242 127 127 LEU H H 8.447 0.03 1 1243 127 127 LEU HA H 5.153 0.03 1 1244 127 127 LEU HB2 H 1.490 0.03 2 1245 127 127 LEU HB3 H 1.159 0.03 2 1246 127 127 LEU HD1 H 0.875 0.03 2 1247 127 127 LEU HD2 H 0.875 0.03 2 1248 127 127 LEU HG H 0.805 0.03 1 1249 127 127 LEU C C 175.145 0.3 1 1250 127 127 LEU CA C 52.742 0.3 1 1251 127 127 LEU CB C 43.172 0.3 1 1252 127 127 LEU CD1 C 24.033 0.3 1 1253 127 127 LEU CD2 C 24.033 0.3 1 1254 127 127 LEU CG C 27.040 0.3 1 1255 127 127 LEU N N 118.983 0.3 1 1256 128 128 ALA H H 9.160 0.03 1 1257 128 128 ALA HA H 3.843 0.03 1 1258 128 128 ALA HB H 1.539 0.03 1 1259 128 128 ALA C C 176.603 0.3 1 1260 128 128 ALA CA C 52.469 0.3 1 1261 128 128 ALA CB C 18.291 0.3 1 1262 128 128 ALA N N 121.682 0.3 1 1263 129 129 ARG H H 6.254 0.03 1 1264 129 129 ARG HA H 4.700 0.03 1 1265 129 129 ARG HB2 H 2.189 0.03 2 1266 129 129 ARG HB3 H 2.046 0.03 2 1267 129 129 ARG HD2 H 2.856 0.03 2 1268 129 129 ARG HD3 H 2.856 0.03 2 1269 129 129 ARG HG2 H 1.371 0.03 2 1270 129 129 ARG C C 176.534 0.3 1 1271 129 129 ARG CA C 55.651 0.3 1 1272 129 129 ARG CB C 29.775 0.3 1 1273 129 129 ARG CD C 42.073 0.3 1 1274 129 129 ARG CG C 24.963 0.3 1 1275 129 129 ARG N N 120.393 0.3 1 1276 130 130 SER H H 8.398 0.03 1 1277 130 130 SER HA H 4.767 0.03 1 1278 130 130 SER HB2 H 3.970 0.03 2 1279 130 130 SER HB3 H 3.173 0.03 2 1280 130 130 SER C C 172.957 0.3 1 1281 130 130 SER CA C 57.658 0.3 1 1282 130 130 SER CB C 63.679 0.3 1 1283 130 130 SER N N 120.264 0.3 1 1284 131 131 VAL H H 7.838 0.03 1 1285 131 131 VAL HA H 5.086 0.03 1 1286 131 131 VAL HB H 2.039 0.03 1 1287 131 131 VAL HG1 H 0.977 0.03 2 1288 131 131 VAL HG2 H 0.825 0.03 2 1289 131 131 VAL C C 172.853 0.3 1 1290 131 131 VAL CA C 60.746 0.3 1 1291 131 131 VAL CB C 36.610 0.3 1 1292 131 131 VAL CG1 C 21.572 0.3 1 1293 131 131 VAL CG2 C 22.939 0.3 1 1294 131 131 VAL N N 118.460 0.3 1 1295 132 132 PHE H H 9.259 0.03 1 1296 132 132 PHE HA H 5.583 0.03 1 1297 132 132 PHE HB2 H 2.741 0.03 2 1298 132 132 PHE HB3 H 3.236 0.03 2 1299 132 132 PHE HD1 H 7.102 0.03 3 1300 132 132 PHE C C 174.797 0.3 1 1301 132 132 PHE CA C 56.296 0.3 1 1302 132 132 PHE CB C 44.539 0.3 1 1303 132 132 PHE N N 121.682 0.3 1 1304 133 133 VAL H H 8.907 0.03 1 1305 133 133 VAL HA H 5.331 0.03 1 1306 133 133 VAL HB H 2.098 0.03 1 1307 133 133 VAL HG1 H 0.811 0.03 2 1308 133 133 VAL HG2 H 1.067 0.03 2 1309 133 133 VAL C C 174.450 0.3 1 1310 133 133 VAL CA C 61.491 0.3 1 1311 133 133 VAL CB C 34.696 0.3 1 1312 133 133 VAL CG1 C 21.025 0.3 1 1313 133 133 VAL CG2 C 21.298 0.3 1 1314 133 133 VAL N N 119.878 0.3 1 1315 134 134 LEU H H 9.976 0.03 1 1316 134 134 LEU HA H 5.680 0.03 1 1317 134 134 LEU HB2 H 2.012 0.03 2 1318 134 134 LEU HB3 H 1.690 0.03 2 1319 134 134 LEU HD1 H 1.062 0.03 2 1320 134 134 LEU HD2 H 1.062 0.03 2 1321 134 134 LEU HG H 1.794 0.03 1 1322 134 134 LEU C C 176.777 0.3 1 1323 134 134 LEU CA C 52.195 0.3 1 1324 134 134 LEU CB C 44.813 0.3 1 1325 134 134 LEU CD1 C 25.400 0.3 1 1326 134 134 LEU CD2 C 25.400 0.3 1 1327 134 134 LEU CG C 28.681 0.3 1 1328 134 134 LEU N N 129.417 0.3 1 1329 135 135 ASP H H 9.051 0.03 1 1330 135 135 ASP HA H 4.708 0.03 1 1331 135 135 ASP HB2 H 2.686 0.03 2 1332 135 135 ASP HB3 H 3.492 0.03 2 1333 135 135 ASP C C 177.193 0.3 1 1334 135 135 ASP CA C 52.276 0.3 1 1335 135 135 ASP CB C 40.711 0.3 1 1336 135 135 ASP N N 119.362 0.3 1 1337 136 136 GLU H H 9.970 0.03 1 1338 136 136 GLU HA H 3.953 0.03 1 1339 136 136 GLU HB2 H 1.836 0.03 2 1340 136 136 GLU HB3 H 1.836 0.03 2 1341 136 136 GLU HG2 H 2.155 0.03 2 1342 136 136 GLU HG3 H 2.258 0.03 2 1343 136 136 GLU C C 177.055 0.3 1 1344 136 136 GLU CA C 58.757 0.3 1 1345 136 136 GLU CB C 28.681 0.3 1 1346 136 136 GLU CG C 35.516 0.3 1 1347 136 136 GLU N N 116.011 0.3 1 1348 137 137 ASN H H 8.514 0.03 1 1349 137 137 ASN HA H 5.026 0.03 1 1350 137 137 ASN HB2 H 3.078 0.03 2 1351 137 137 ASN HB3 H 2.899 0.03 2 1352 137 137 ASN HD21 H 8.009 0.03 2 1353 137 137 ASN HD22 H 6.998 0.03 2 1354 137 137 ASN C C 175.943 0.3 1 1355 137 137 ASN CA C 52.753 0.3 1 1356 137 137 ASN CB C 40.164 0.3 1 1357 137 137 ASN N N 117.042 0.3 1 1358 137 137 ASN ND2 N 115.703 0.3 1 1359 138 138 GLY H H 8.430 0.03 1 1360 138 138 GLY HA2 H 3.690 0.03 2 1361 138 138 GLY HA3 H 4.213 0.03 2 1362 138 138 GLY C C 172.436 0.3 1 1363 138 138 GLY CA C 46.180 0.3 1 1364 138 138 GLY N N 109.565 0.3 1 1365 139 139 LYS H H 8.573 0.03 1 1366 139 139 LYS HA H 4.472 0.03 1 1367 139 139 LYS HB2 H 1.836 0.03 2 1368 139 139 LYS HB3 H 1.714 0.03 2 1369 139 139 LYS HD2 H 1.669 0.03 2 1370 139 139 LYS HD3 H 1.669 0.03 2 1371 139 139 LYS HE2 H 3.051 0.03 2 1372 139 139 LYS HE3 H 2.948 0.03 2 1373 139 139 LYS HG2 H 1.077 0.03 2 1374 139 139 LYS HG3 H 1.233 0.03 2 1375 139 139 LYS C C 176.742 0.3 1 1376 139 139 LYS CA C 56.195 0.3 1 1377 139 139 LYS CB C 32.782 0.3 1 1378 139 139 LYS CD C 29.491 0.3 1 1379 139 139 LYS CE C 42.079 0.3 1 1380 139 139 LYS CG C 25.126 0.3 1 1381 139 139 LYS N N 123.358 0.3 1 1382 140 140 VAL H H 9.102 0.03 1 1383 140 140 VAL HA H 4.293 0.03 1 1384 140 140 VAL HB H 2.423 0.03 1 1385 140 140 VAL HG1 H 0.952 0.03 2 1386 140 140 VAL HG2 H 1.045 0.03 2 1387 140 140 VAL C C 177.124 0.3 1 1388 140 140 VAL CA C 63.952 0.3 1 1389 140 140 VAL CB C 31.142 0.3 1 1390 140 140 VAL CG1 C 21.298 0.3 1 1391 140 140 VAL CG2 C 21.845 0.3 1 1392 140 140 VAL N N 125.292 0.3 1 1393 141 141 VAL H H 9.332 0.03 1 1394 141 141 VAL HA H 4.670 0.03 1 1395 141 141 VAL HB H 2.379 0.03 1 1396 141 141 VAL HG1 H 0.903 0.03 2 1397 141 141 VAL HG2 H 1.057 0.03 2 1398 141 141 VAL C C 175.249 0.3 1 1399 141 141 VAL CA C 61.491 0.3 1 1400 141 141 VAL CB C 32.509 0.3 1 1401 141 141 VAL CG1 C 19.931 0.3 1 1402 141 141 VAL CG2 C 21.845 0.3 1 1403 141 141 VAL N N 124.261 0.3 1 1404 142 142 TYR H H 7.959 0.03 1 1405 142 142 TYR HA H 4.389 0.03 1 1406 142 142 TYR HB2 H 2.605 0.03 2 1407 142 142 TYR HB3 H 2.974 0.03 2 1408 142 142 TYR HD1 H 7.106 0.03 3 1409 142 142 TYR HE1 H 6.683 0.03 3 1410 142 142 TYR C C 172.262 0.3 1 1411 142 142 TYR CA C 58.757 0.3 1 1412 142 142 TYR CB C 41.805 0.3 1 1413 142 142 TYR N N 122.198 0.3 1 1414 143 143 ALA H H 7.642 0.03 1 1415 143 143 ALA HA H 4.883 0.03 1 1416 143 143 ALA HB H 1.337 0.03 1 1417 143 143 ALA C C 175.353 0.3 1 1418 143 143 ALA CA C 51.703 0.3 1 1419 143 143 ALA CB C 22.666 0.3 1 1420 143 143 ALA N N 129.804 0.3 1 1421 144 144 GLU H H 8.292 0.03 1 1422 144 144 GLU HA H 4.297 0.03 1 1423 144 144 GLU HB2 H 1.656 0.03 2 1424 144 144 GLU HB3 H 1.803 0.03 2 1425 144 144 GLU HG2 H 1.650 0.03 2 1426 144 144 GLU HG3 H 2.260 0.03 2 1427 144 144 GLU C C 173.860 0.3 1 1428 144 144 GLU CA C 56.296 0.3 1 1429 144 144 GLU CB C 32.509 0.3 1 1430 144 144 GLU CG C 36.619 0.3 1 1431 144 144 GLU N N 122.198 0.3 1 1432 145 145 TYR H H 9.006 0.03 1 1433 145 145 TYR HA H 4.125 0.03 1 1434 145 145 TYR HB2 H 2.330 0.03 2 1435 145 145 TYR HB3 H 3.006 0.03 2 1436 145 145 TYR HD1 H 6.910 0.03 3 1437 145 145 TYR HE1 H 7.191 0.03 3 1438 145 145 TYR C C 175.164 0.3 1 1439 145 145 TYR CA C 57.117 0.3 1 1440 145 145 TYR CB C 38.251 0.3 1 1441 145 145 TYR N N 128.128 0.3 1 1442 146 146 VAL H H 7.441 0.03 1 1443 146 146 VAL HA H 3.672 0.03 1 1444 146 146 VAL HB H 1.777 0.03 1 1445 146 146 VAL HG1 H 0.519 0.03 2 1446 146 146 VAL HG2 H 0.858 0.03 2 1447 146 146 VAL C C 176.777 0.3 1 1448 146 146 VAL CA C 64.226 0.3 1 1449 146 146 VAL CB C 30.868 0.3 1 1450 146 146 VAL CG1 C 22.392 0.3 1 1451 146 146 VAL CG2 C 22.392 0.3 1 1452 146 146 VAL N N 125.808 0.3 1 1453 147 147 SER H H 8.359 0.03 1 1454 147 147 SER HA H 4.007 0.03 1 1455 147 147 SER HB2 H 4.150 0.03 2 1456 147 147 SER HB3 H 4.150 0.03 2 1457 147 147 SER C C 172.123 0.3 1 1458 147 147 SER CA C 63.132 0.3 1 1459 147 147 SER CB C 62.859 0.3 1 1460 147 147 SER N N 121.425 0.3 1 1461 148 148 GLU H H 7.177 0.03 1 1462 148 148 GLU HA H 5.055 0.03 1 1463 148 148 GLU HB2 H 1.939 0.03 2 1464 148 148 GLU HB3 H 1.939 0.03 2 1465 148 148 GLU HG2 H 2.329 0.03 2 1466 148 148 GLU HG3 H 2.329 0.03 2 1467 148 148 GLU C C 176.082 0.3 1 1468 148 148 GLU CA C 52.563 0.3 1 1469 148 148 GLU CB C 29.774 0.3 1 1470 148 148 GLU CG C 37.157 0.3 1 1471 148 148 GLU N N 119.620 0.3 1 1472 149 149 ALA H H 9.142 0.03 1 1473 149 149 ALA HA H 4.704 0.03 1 1474 149 149 ALA HB H 1.660 0.03 1 1475 149 149 ALA C C 177.437 0.3 1 1476 149 149 ALA CA C 54.466 0.3 1 1477 149 149 ALA CB C 19.111 0.3 1 1478 149 149 ALA N N 127.741 0.3 1 1479 150 150 THR H H 8.200 0.03 1 1480 150 150 THR HA H 4.393 0.03 1 1481 150 150 THR HB H 4.402 0.03 1 1482 150 150 THR HG2 H 0.785 0.03 1 1483 150 150 THR C C 174.554 0.3 1 1484 150 150 THR CA C 62.312 0.3 1 1485 150 150 THR CB C 69.694 0.3 1 1486 150 150 THR CG2 C 21.845 0.3 1 1487 150 150 THR N N 104.453 0.3 1 1488 151 151 ASN H H 7.984 0.03 1 1489 151 151 ASN HA H 4.947 0.03 1 1490 151 151 ASN HB2 H 2.991 0.03 2 1491 151 151 ASN HB3 H 2.991 0.03 2 1492 151 151 ASN HD21 H 7.728 0.03 2 1493 151 151 ASN HD22 H 6.907 0.03 2 1494 151 151 ASN C C 174.554 0.3 1 1495 151 151 ASN CA C 51.135 0.3 1 1496 151 151 ASN CB C 39.344 0.3 1 1497 151 151 ASN N N 123.487 0.3 1 1498 151 151 ASN ND2 N 110.487 0.3 1 1499 152 152 HIS H H 8.160 0.03 1 1500 152 152 HIS HA H 4.731 0.03 1 1501 152 152 HIS HB2 H 2.843 0.03 2 1502 152 152 HIS HB3 H 3.064 0.03 2 1503 152 152 HIS HD2 H 7.207 0.03 1 1504 152 152 HIS C C 174.381 0.3 1 1505 152 152 HIS CA C 54.854 0.3 1 1506 152 152 HIS CB C 31.415 0.3 1 1507 152 152 HIS N N 116.139 0.3 1 1508 153 153 PRO HA H 4.335 0.03 1 1509 153 153 PRO HB2 H 1.486 0.03 2 1510 153 153 PRO HB3 H 1.486 0.03 2 1511 153 153 PRO HD2 H 3.451 0.03 2 1512 153 153 PRO HG2 H 1.360 0.03 2 1513 153 153 PRO C C 173.894 0.3 1 1514 153 153 PRO CA C 61.491 0.3 1 1515 153 153 PRO CB C 32.782 0.3 1 1516 153 153 PRO CD C 49.187 0.3 1 1517 153 153 PRO CG C 25.673 0.3 1 1518 154 154 ASN H H 9.511 0.03 1 1519 154 154 ASN HA H 4.306 0.03 1 1520 154 154 ASN HB2 H 2.798 0.03 2 1521 154 154 ASN HB3 H 2.625 0.03 2 1522 154 154 ASN HD21 H 7.975 0.03 2 1523 154 154 ASN HD22 H 7.562 0.03 2 1524 154 154 ASN C C 176.568 0.3 1 1525 154 154 ASN CA C 54.656 0.3 1 1526 154 154 ASN CB C 39.071 0.3 1 1527 154 154 ASN N N 118.718 0.3 1 1528 154 154 ASN ND2 N 115.756 0.3 1 1529 155 155 TYR H H 8.691 0.03 1 1530 155 155 TYR HA H 4.364 0.03 1 1531 155 155 TYR HB2 H 2.707 0.03 2 1532 155 155 TYR HB3 H 3.326 0.03 2 1533 155 155 TYR HD1 H 6.623 0.03 3 1534 155 155 TYR HE1 H 7.516 0.03 3 1535 155 155 TYR C C 176.256 0.3 1 1536 155 155 TYR CA C 59.304 0.3 1 1537 155 155 TYR CB C 39.344 0.3 1 1538 155 155 TYR N N 125.421 0.3 1 1539 156 156 GLU H H 8.200 0.03 1 1540 156 156 GLU HA H 4.415 0.03 1 1541 156 156 GLU HB2 H 2.159 0.03 2 1542 156 156 GLU HB3 H 2.159 0.03 2 1543 156 156 GLU HG2 H 2.314 0.03 2 1544 156 156 GLU HG3 H 2.314 0.03 2 1545 156 156 GLU C C 178.583 0.3 1 1546 156 156 GLU CA C 58.757 0.3 1 1547 156 156 GLU CB C 30.868 0.3 1 1548 156 156 GLU CG C 36.883 0.3 1 1549 156 156 GLU N N 119.878 0.3 1 1550 157 157 LYS H H 8.718 0.03 1 1551 157 157 LYS HA H 4.095 0.03 1 1552 157 157 LYS HB2 H 1.863 0.03 2 1553 157 157 LYS HB3 H 1.863 0.03 2 1554 157 157 LYS HD2 H 1.750 0.03 2 1555 157 157 LYS HD3 H 1.839 0.03 2 1556 157 157 LYS HE2 H 3.053 0.03 2 1557 157 157 LYS HE3 H 3.115 0.03 2 1558 157 157 LYS HG2 H 1.537 0.03 2 1559 157 157 LYS HG3 H 1.680 0.03 2 1560 157 157 LYS C C 176.152 0.3 1 1561 157 157 LYS CA C 60.398 0.3 1 1562 157 157 LYS CB C 30.595 0.3 1 1563 157 157 LYS CD C 29.227 0.3 1 1564 157 157 LYS CE C 42.079 0.3 1 1565 157 157 LYS CG C 26.220 0.3 1 1566 157 157 LYS N N 121.167 0.3 1 1567 158 158 PRO HA H 3.116 0.03 1 1568 158 158 PRO HB2 H 1.506 0.03 2 1569 158 158 PRO HB3 H 1.757 0.03 2 1570 158 158 PRO HD2 H 3.526 0.03 2 1571 158 158 PRO HD3 H 3.255 0.03 2 1572 158 158 PRO HG2 H 2.047 0.03 2 1573 158 158 PRO HG3 H 2.082 0.03 2 1574 158 158 PRO C C 177.853 0.3 1 1575 158 158 PRO CA C 65.319 0.3 1 1576 158 158 PRO CB C 30.595 0.3 1 1577 158 158 PRO CD C 50.555 0.3 1 1578 158 158 PRO CG C 28.681 0.3 1 1579 159 159 ILE H H 6.215 0.03 1 1580 159 159 ILE HA H 3.594 0.03 1 1581 159 159 ILE HB H 2.249 0.03 1 1582 159 159 ILE HD1 H 0.441 0.03 1 1583 159 159 ILE HG12 H 1.614 0.03 1 1584 159 159 ILE HG13 H 1.582 0.03 1 1585 159 159 ILE HG2 H 0.900 0.03 1 1586 159 159 ILE C C 177.610 0.3 1 1587 159 159 ILE CA C 62.312 0.3 1 1588 159 159 ILE CB C 35.516 0.3 1 1589 159 159 ILE CD1 C 8.995 0.3 1 1590 159 159 ILE CG1 C 27.587 0.3 1 1591 159 159 ILE CG2 C 17.471 0.3 1 1592 159 159 ILE N N 113.948 0.3 1 1593 160 160 GLU H H 7.572 0.03 1 1594 160 160 GLU HA H 3.876 0.03 1 1595 160 160 GLU HB2 H 2.056 0.03 2 1596 160 160 GLU HB3 H 2.056 0.03 2 1597 160 160 GLU HG2 H 2.353 0.03 2 1598 160 160 GLU HG3 H 2.217 0.03 2 1599 160 160 GLU C C 179.277 0.3 1 1600 160 160 GLU CA C 59.304 0.3 1 1601 160 160 GLU CB C 29.774 0.3 1 1602 160 160 GLU CG C 36.063 0.3 1 1603 160 160 GLU N N 119.104 0.3 1 1604 161 161 ALA H H 7.902 0.03 1 1605 161 161 ALA HA H 4.137 0.03 1 1606 161 161 ALA HB H 1.366 0.03 1 1607 161 161 ALA C C 179.485 0.3 1 1608 161 161 ALA CA C 54.656 0.3 1 1609 161 161 ALA CB C 18.017 0.3 1 1610 161 161 ALA N N 120.393 0.3 1 1611 162 162 ALA H H 7.734 0.03 1 1612 162 162 ALA HA H 3.950 0.03 1 1613 162 162 ALA HB H 1.324 0.03 1 1614 162 162 ALA C C 179.485 0.3 1 1615 162 162 ALA CA C 54.656 0.3 1 1616 162 162 ALA CB C 19.111 0.3 1 1617 162 162 ALA N N 118.202 0.3 1 1618 163 163 LYS H H 8.760 0.03 1 1619 163 163 LYS HA H 3.842 0.03 1 1620 163 163 LYS HB2 H 1.907 0.03 2 1621 163 163 LYS HB3 H 1.866 0.03 2 1622 163 163 LYS HD2 H 1.630 0.03 2 1623 163 163 LYS HD3 H 1.630 0.03 2 1624 163 163 LYS HE2 H 2.903 0.03 2 1625 163 163 LYS HE3 H 2.859 0.03 2 1626 163 163 LYS HG2 H 1.528 0.03 2 1627 163 163 LYS HG3 H 1.462 0.03 2 1628 163 163 LYS C C 178.201 0.3 1 1629 163 163 LYS CA C 59.578 0.3 1 1630 163 163 LYS CB C 32.782 0.3 1 1631 163 163 LYS CD C 29.501 0.3 1 1632 163 163 LYS CE C 42.079 0.3 1 1633 163 163 LYS CG C 25.667 0.3 1 1634 163 163 LYS N N 118.202 0.3 1 1635 164 164 ALA H H 7.216 0.03 1 1636 164 164 ALA HA H 4.215 0.03 1 1637 164 164 ALA HB H 1.535 0.03 1 1638 164 164 ALA C C 178.339 0.3 1 1639 164 164 ALA CA C 53.836 0.3 1 1640 164 164 ALA CB C 18.291 0.3 1 1641 164 164 ALA N N 117.557 0.3 1 1642 165 165 LEU H H 7.503 0.03 1 1643 165 165 LEU HA H 4.432 0.03 1 1644 165 165 LEU HB2 H 1.768 0.03 2 1645 165 165 LEU HB3 H 2.044 0.03 2 1646 165 165 LEU HD1 H 1.028 0.03 2 1647 165 165 LEU HD2 H 1.031 0.03 2 1648 165 165 LEU HG H 1.953 0.03 1 1649 165 165 LEU C C 177.714 0.3 1 1650 165 165 LEU CA C 54.929 0.3 1 1651 165 165 LEU CB C 44.256 0.3 1 1652 165 165 LEU CD1 C 22.392 0.3 1 1653 165 165 LEU CD2 C 27.040 0.3 1 1654 165 165 LEU CG C 26.493 0.3 1 1655 165 165 LEU N N 115.753 0.3 1 1656 166 166 VAL H H 7.337 0.03 1 1657 166 166 VAL HA H 4.103 0.03 1 1658 166 166 VAL HB H 2.172 0.03 1 1659 166 166 VAL HG1 H 0.965 0.03 2 1660 166 166 VAL HG2 H 0.965 0.03 2 1661 166 166 VAL C C 175.040 0.3 1 1662 166 166 VAL CA C 62.859 0.3 1 1663 166 166 VAL CB C 32.509 0.3 1 1664 166 166 VAL CG1 C 21.298 0.3 1 1665 166 166 VAL CG2 C 21.298 0.3 1 1666 166 166 VAL N N 118.589 0.3 1 1667 167 167 LYS H H 7.915 0.03 1 1668 167 167 LYS HA H 4.221 0.03 1 1669 167 167 LYS HB2 H 1.792 0.03 2 1670 167 167 LYS HB3 H 1.883 0.03 2 1671 167 167 LYS HE2 H 3.054 0.03 2 1672 167 167 LYS HE3 H 3.054 0.03 2 1673 167 167 LYS HG2 H 1.461 0.03 2 1674 167 167 LYS HG3 H 1.461 0.03 2 1675 167 167 LYS C C 181.430 0.3 1 1676 167 167 LYS CA C 57.664 0.3 1 1677 167 167 LYS CB C 33.602 0.3 1 1678 167 167 LYS CD C 29.290 0.3 1 1679 167 167 LYS CE C 42.079 0.3 1 1680 167 167 LYS CG C 24.580 0.3 1 1681 167 167 LYS N N 130.190 0.3 1 stop_ save_