data_15797 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Solution structure of Tpx in the reduced state ; _BMRB_accession_number 15797 _BMRB_flat_file_name bmr15797.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 . . 3 Yang Fan . . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 858 "13C chemical shifts" 654 "15N chemical shifts" 157 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 15798 'Tpx in the oxidized state' stop_ save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_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 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 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 monomer' _Molecular_mass 18241.838 _Mol_thiol_state 'all free' _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 15798 Tpx 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 'natural abundance' 'sodium phosphate' 20 mM 'natural abundance' DTT 20 mM 'natural abundance' stop_ save_ ############################ # Computer software used # ############################ save_xwinnmr _Saveframe_category software _Name xwinnmr _Version . loop_ _Vendor _Address _Electronic_address 'Bruker Biospin' . . stop_ loop_ _Task collection stop_ _Details . save_ save_NMRPipe _Saveframe_category software _Name NMRPipe _Version . loop_ _Vendor _Address _Electronic_address 'Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax' . . stop_ loop_ _Task processing stop_ _Details . save_ save_NMRView _Saveframe_category software _Name NMRView _Version . loop_ _Vendor _Address _Electronic_address 'Johnson, One Moon Scientific' . . stop_ loop_ _Task 'data analysis' stop_ _Details . save_ save_CYANA _Saveframe_category software _Name CYANA _Version . 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 . 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 internal indirect . . . 0.251449530 DSS H 1 'methyl protons' ppm 0 internal direct . . . 1 DSS N 15 'methyl protons' ppm 0 internal 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 3.870 0.03 1 2 2 2 ALA HB H 0.891 0.03 1 3 2 2 ALA C C 172.590 0.3 1 4 2 2 ALA CA C 51.766 0.3 1 5 2 2 ALA CB C 18.955 0.3 1 6 3 3 GLU H H 8.262 0.03 1 7 3 3 GLU HA H 4.676 0.03 1 8 3 3 GLU HB2 H 1.922 0.03 2 9 3 3 GLU HB3 H 2.042 0.03 2 10 3 3 GLU HG2 H 2.220 0.03 2 11 3 3 GLU HG3 H 2.281 0.03 2 12 3 3 GLU C C 175.157 0.3 1 13 3 3 GLU CA C 55.867 0.3 1 14 3 3 GLU CB C 31.533 0.3 1 15 3 3 GLU CG C 36.181 0.3 1 16 3 3 GLU N N 120.667 0.3 1 17 4 4 ILE H H 9.037 0.03 1 18 4 4 ILE HA H 5.336 0.03 1 19 4 4 ILE HB H 1.886 0.03 1 20 4 4 ILE HD1 H 0.942 0.03 1 21 4 4 ILE HG12 H 1.157 0.03 1 22 4 4 ILE HG13 H 1.327 0.03 1 23 4 4 ILE HG2 H 0.928 0.03 1 24 4 4 ILE C C 175.817 0.3 1 25 4 4 ILE CA C 59.422 0.3 1 26 4 4 ILE CB C 42.196 0.3 1 27 4 4 ILE CD1 C 15.127 0.3 1 28 4 4 ILE CG1 C 26.885 0.3 1 29 4 4 ILE CG2 C 18.135 0.3 1 30 4 4 ILE N N 123.761 0.3 1 31 5 5 THR H H 9.070 0.03 1 32 5 5 THR HA H 5.119 0.03 1 33 5 5 THR HB H 3.844 0.03 1 34 5 5 THR HG2 H 0.980 0.03 1 35 5 5 THR C C 173.483 0.3 1 36 5 5 THR CA C 59.422 0.3 1 37 5 5 THR CB C 72.820 0.3 1 38 5 5 THR CG2 C 20.869 0.3 1 39 5 5 THR N N 112.546 0.3 1 40 6 6 PHE H H 9.237 0.03 1 41 6 6 PHE HA H 4.866 0.03 1 42 6 6 PHE HB2 H 2.567 0.03 2 43 6 6 PHE HB3 H 3.234 0.03 2 44 6 6 PHE C C 175.591 0.3 1 45 6 6 PHE CA C 58.054 0.3 1 46 6 6 PHE CB C 42.470 0.3 1 47 6 6 PHE N N 120.538 0.3 1 48 7 7 LYS H H 10.989 0.03 1 49 7 7 LYS HA H 3.707 0.03 1 50 7 7 LYS HB2 H 1.848 0.03 2 51 7 7 LYS HB3 H 2.035 0.03 2 52 7 7 LYS HD2 H 1.676 0.03 2 53 7 7 LYS HD3 H 1.676 0.03 2 54 7 7 LYS HE2 H 2.940 0.03 2 55 7 7 LYS HE3 H 2.940 0.03 2 56 7 7 LYS HG2 H 0.825 0.03 2 57 7 7 LYS HG3 H 1.125 0.03 2 58 7 7 LYS C C 177.661 0.3 1 59 7 7 LYS CA C 57.508 0.3 1 60 7 7 LYS CB C 29.345 0.3 1 61 7 7 LYS CD C 29.345 0.3 1 62 7 7 LYS CE C 41.923 0.3 1 63 7 7 LYS CG C 25.517 0.3 1 64 7 7 LYS N N 133.429 0.3 1 65 8 8 GLY H H 9.194 0.03 1 66 8 8 GLY HA2 H 3.571 0.03 2 67 8 8 GLY HA3 H 4.272 0.03 2 68 8 8 GLY C C 173.822 0.3 1 69 8 8 GLY CA C 45.477 0.3 1 70 8 8 GLY N N 105.198 0.3 1 71 9 9 GLY H H 7.855 0.03 1 72 9 9 GLY HA2 H 3.749 0.03 2 73 9 9 GLY HA3 H 4.836 0.03 2 74 9 9 GLY C C 171.262 0.3 1 75 9 9 GLY CA C 43.083 0.3 1 76 9 9 GLY N N 109.452 0.3 1 77 10 10 PRO HA H 4.705 0.03 1 78 10 10 PRO HB2 H 1.993 0.03 2 79 10 10 PRO HB3 H 2.401 0.03 2 80 10 10 PRO HD2 H 3.809 0.03 2 81 10 10 PRO HD3 H 3.946 0.03 2 82 10 10 PRO HG2 H 2.072 0.03 2 83 10 10 PRO HG3 H 2.170 0.03 2 84 10 10 PRO C C 177.097 0.3 1 85 10 10 PRO CA C 63.797 0.3 1 86 10 10 PRO CB C 32.353 0.3 1 87 10 10 PRO CD C 50.672 0.3 1 88 10 10 PRO CG C 27.431 0.3 1 89 11 11 VAL H H 7.742 0.03 1 90 11 11 VAL HA H 4.631 0.03 1 91 11 11 VAL HB H 2.340 0.03 1 92 11 11 VAL HG1 H 0.718 0.03 2 93 11 11 VAL HG2 H 0.937 0.03 2 94 11 11 VAL C C 174.462 0.3 1 95 11 11 VAL CA C 59.422 0.3 1 96 11 11 VAL CB C 35.361 0.3 1 97 11 11 VAL CG1 C 18.135 0.3 1 98 11 11 VAL CG2 C 23.057 0.3 1 99 11 11 VAL N N 114.866 0.3 1 100 12 12 THR H H 10.787 0.03 1 101 12 12 THR HA H 4.404 0.03 1 102 12 12 THR HB H 4.146 0.03 1 103 12 12 THR HG2 H 1.141 0.03 1 104 12 12 THR C C 173.505 0.3 1 105 12 12 THR CA C 62.429 0.3 1 106 12 12 THR CB C 69.265 0.3 1 107 12 12 THR CG2 C 20.869 0.3 1 108 12 12 THR N N 122.730 0.3 1 109 13 13 LEU H H 8.565 0.03 1 110 13 13 LEU HA H 5.081 0.03 1 111 13 13 LEU HB2 H 1.205 0.03 2 112 13 13 LEU HB3 H 1.714 0.03 2 113 13 13 LEU HD1 H 0.977 0.03 2 114 13 13 LEU HD2 H 0.715 0.03 2 115 13 13 LEU HG H 1.741 0.03 1 116 13 13 LEU C C 177.285 0.3 1 117 13 13 LEU CA C 53.407 0.3 1 118 13 13 LEU CB C 41.923 0.3 1 119 13 13 LEU CD1 C 24.697 0.3 1 120 13 13 LEU CD2 C 23.603 0.3 1 121 13 13 LEU CG C 26.885 0.3 1 122 13 13 LEU N N 126.210 0.3 1 123 14 14 VAL H H 9.023 0.03 1 124 14 14 VAL HA H 3.870 0.03 1 125 14 14 VAL HB H 1.486 0.03 1 126 14 14 VAL HG1 H 0.202 0.03 2 127 14 14 VAL HG2 H 0.817 0.03 2 128 14 14 VAL C C 174.604 0.3 1 129 14 14 VAL CA C 62.156 0.3 1 130 14 14 VAL CB C 32.353 0.3 1 131 14 14 VAL CG1 C 20.322 0.3 1 132 14 14 VAL CG2 C 20.869 0.3 1 133 14 14 VAL N N 127.499 0.3 1 134 15 15 GLY H H 7.850 0.03 1 135 15 15 GLY HA2 H 5.223 0.03 2 136 15 15 GLY HA3 H 3.748 0.03 2 137 15 15 GLY C C 174.542 0.3 1 138 15 15 GLY CA C 43.290 0.3 1 139 15 15 GLY N N 110.612 0.3 1 140 16 16 GLN H H 8.287 0.03 1 141 16 16 GLN HA H 4.356 0.03 1 142 16 16 GLN HB2 H 1.905 0.03 2 143 16 16 GLN HB3 H 1.986 0.03 2 144 16 16 GLN HE21 H 7.675 0.03 2 145 16 16 GLN HE22 H 6.826 0.03 2 146 16 16 GLN HG2 H 2.366 0.03 2 147 16 16 GLN HG3 H 2.366 0.03 2 148 16 16 GLN C C 174.876 0.3 1 149 16 16 GLN CA C 54.774 0.3 1 150 16 16 GLN CB C 30.439 0.3 1 151 16 16 GLN CG C 33.994 0.3 1 152 16 16 GLN N N 120.538 0.3 1 153 16 16 GLN NE2 N 112.933 0.3 1 154 17 17 GLU H H 8.126 0.03 1 155 17 17 GLU HA H 3.949 0.03 1 156 17 17 GLU HB2 H 1.587 0.03 2 157 17 17 GLU HB3 H 1.709 0.03 2 158 17 17 GLU HG2 H 1.700 0.03 2 159 17 17 GLU HG3 H 1.829 0.03 2 160 17 17 GLU C C 176.607 0.3 1 161 17 17 GLU CA C 56.961 0.3 1 162 17 17 GLU CB C 30.439 0.3 1 163 17 17 GLU CG C 35.634 0.3 1 164 17 17 GLU N N 123.503 0.3 1 165 18 18 VAL H H 8.633 0.03 1 166 18 18 VAL HA H 3.978 0.03 1 167 18 18 VAL HB H 1.999 0.03 1 168 18 18 VAL HG1 H 0.597 0.03 2 169 18 18 VAL HG2 H 0.658 0.03 2 170 18 18 VAL C C 174.386 0.3 1 171 18 18 VAL CA C 61.883 0.3 1 172 18 18 VAL CB C 32.626 0.3 1 173 18 18 VAL CG1 C 21.963 0.3 1 174 18 18 VAL CG2 C 22.510 0.3 1 175 18 18 VAL N N 127.113 0.3 1 176 19 19 LYS H H 8.455 0.03 1 177 19 19 LYS HA H 4.632 0.03 1 178 19 19 LYS HB2 H 1.702 0.03 2 179 19 19 LYS HB3 H 1.702 0.03 2 180 19 19 LYS HD2 H 1.692 0.03 2 181 19 19 LYS HD3 H 1.692 0.03 2 182 19 19 LYS HE2 H 3.062 0.03 2 183 19 19 LYS HE3 H 3.062 0.03 2 184 19 19 LYS HG2 H 1.364 0.03 2 185 19 19 LYS HG3 H 1.364 0.03 2 186 19 19 LYS C C 176.457 0.3 1 187 19 19 LYS CA C 53.407 0.3 1 188 19 19 LYS CB C 34.267 0.3 1 189 19 19 LYS CD C 28.251 0.3 1 190 19 19 LYS CE C 42.196 0.3 1 191 19 19 LYS CG C 24.424 0.3 1 192 19 19 LYS N N 124.406 0.3 1 193 20 20 VAL H H 8.370 0.03 1 194 20 20 VAL HA H 3.407 0.03 1 195 20 20 VAL HB H 1.910 0.03 1 196 20 20 VAL HG1 H 0.965 0.03 2 197 20 20 VAL HG2 H 0.977 0.03 2 198 20 20 VAL C C 177.624 0.3 1 199 20 20 VAL CA C 65.437 0.3 1 200 20 20 VAL CB C 31.259 0.3 1 201 20 20 VAL CG1 C 21.416 0.3 1 202 20 20 VAL CG2 C 23.057 0.3 1 203 20 20 VAL N N 120.409 0.3 1 204 21 21 GLY H H 9.336 0.03 1 205 21 21 GLY HA2 H 3.540 0.03 2 206 21 21 GLY HA3 H 4.576 0.03 2 207 21 21 GLY C C 174.160 0.3 1 208 21 21 GLY CA C 44.657 0.3 1 209 21 21 GLY N N 117.573 0.3 1 210 22 22 ASP H H 8.219 0.03 1 211 22 22 ASP HA H 4.659 0.03 1 212 22 22 ASP HB2 H 2.866 0.03 2 213 22 22 ASP HB3 H 2.589 0.03 2 214 22 22 ASP C C 176.231 0.3 1 215 22 22 ASP CA C 54.227 0.3 1 216 22 22 ASP CB C 40.829 0.3 1 217 22 22 ASP N N 121.827 0.3 1 218 23 23 GLN H H 8.586 0.03 1 219 23 23 GLN HA H 4.230 0.03 1 220 23 23 GLN HB2 H 1.996 0.03 2 221 23 23 GLN HB3 H 1.996 0.03 2 222 23 23 GLN HE21 H 7.764 0.03 2 223 23 23 GLN HE22 H 6.798 0.03 2 224 23 23 GLN HG2 H 2.390 0.03 2 225 23 23 GLN HG3 H 2.501 0.03 2 226 23 23 GLN C C 175.892 0.3 1 227 23 23 GLN CA C 55.321 0.3 1 228 23 23 GLN CB C 28.798 0.3 1 229 23 23 GLN CG C 33.720 0.3 1 230 23 23 GLN N N 119.507 0.3 1 231 23 23 GLN NE2 N 110.870 0.3 1 232 24 24 ALA H H 8.686 0.03 1 233 24 24 ALA HA H 4.022 0.03 1 234 24 24 ALA HB H 1.565 0.03 1 235 24 24 ALA C C 174.386 0.3 1 236 24 24 ALA CA C 50.946 0.3 1 237 24 24 ALA CB C 18.955 0.3 1 238 24 24 ALA N N 129.562 0.3 1 239 25 25 PRO HA H 4.424 0.03 1 240 25 25 PRO HB2 H 1.947 0.03 2 241 25 25 PRO HB3 H 2.278 0.03 2 242 25 25 PRO HD2 H 2.819 0.03 2 243 25 25 PRO HD3 H 3.512 0.03 2 244 25 25 PRO HG2 H 1.695 0.03 2 245 25 25 PRO HG3 H 1.842 0.03 2 246 25 25 PRO C C 173.596 0.3 1 247 25 25 PRO CA C 61.609 0.3 1 248 25 25 PRO CB C 32.626 0.3 1 249 25 25 PRO CD C 50.672 0.3 1 250 25 25 PRO CG C 27.431 0.3 1 251 26 26 ASP H H 7.559 0.03 1 252 26 26 ASP HA H 4.431 0.03 1 253 26 26 ASP HB2 H 2.508 0.03 2 254 26 26 ASP HB3 H 2.589 0.03 2 255 26 26 ASP C C 175.591 0.3 1 256 26 26 ASP CA C 54.500 0.3 1 257 26 26 ASP CB C 42.743 0.3 1 258 26 26 ASP N N 114.995 0.3 1 259 27 27 PHE H H 7.405 0.03 1 260 27 27 PHE HA H 4.667 0.03 1 261 27 27 PHE HB2 H 3.277 0.03 2 262 27 27 PHE C C 173.407 0.3 1 263 27 27 PHE CA C 56.961 0.3 1 264 27 27 PHE CB C 39.735 0.3 1 265 27 27 PHE N N 113.319 0.3 1 266 28 28 THR H H 8.586 0.03 1 267 28 28 THR HA H 4.953 0.03 1 268 28 28 THR HB H 3.892 0.03 1 269 28 28 THR HG2 H 1.165 0.03 1 270 28 28 THR C C 173.443 0.3 1 271 28 28 THR CA C 62.703 0.3 1 272 28 28 THR CB C 72.273 0.3 1 273 28 28 THR CG2 C 21.689 0.3 1 274 28 28 THR N N 114.737 0.3 1 275 29 29 VAL H H 9.165 0.03 1 276 29 29 VAL HA H 4.916 0.03 1 277 29 29 VAL HB H 2.089 0.03 1 278 29 29 VAL HG1 H 0.737 0.03 2 279 29 29 VAL HG2 H 1.021 0.03 2 280 29 29 VAL C C 173.558 0.3 1 281 29 29 VAL CA C 59.527 0.3 1 282 29 29 VAL CB C 35.361 0.3 1 283 29 29 VAL CG1 C 20.869 0.3 1 284 29 29 VAL CG2 C 24.150 0.3 1 285 29 29 VAL N N 119.249 0.3 1 286 30 30 LEU H H 8.680 0.03 1 287 30 30 LEU HA H 5.638 0.03 1 288 30 30 LEU HB2 H 1.661 0.03 2 289 30 30 LEU HB3 H 1.856 0.03 2 290 30 30 LEU HD1 H 0.811 0.03 2 291 30 30 LEU HD2 H 0.811 0.03 2 292 30 30 LEU HG H 0.984 0.03 1 293 30 30 LEU C C 180.310 0.3 1 294 30 30 LEU CA C 53.407 0.3 1 295 30 30 LEU CB C 47.391 0.3 1 296 30 30 LEU CD1 C 24.424 0.3 1 297 30 30 LEU CD2 C 24.424 0.3 1 298 30 30 LEU CG C 26.885 0.3 1 299 30 30 LEU N N 117.187 0.3 1 300 31 31 THR H H 9.796 0.03 1 301 31 31 THR HA H 4.780 0.03 1 302 31 31 THR HB H 4.971 0.03 1 303 31 31 THR HG2 H 1.273 0.03 1 304 31 31 THR C C 176.457 0.3 1 305 31 31 THR CA C 60.632 0.3 1 306 31 31 THR CB C 71.726 0.3 1 307 31 31 THR CG2 C 21.963 0.3 1 308 31 31 THR N N 115.511 0.3 1 309 32 32 ASN H H 9.910 0.03 1 310 32 32 ASN HA H 4.374 0.03 1 311 32 32 ASN HB2 H 2.849 0.03 2 312 32 32 ASN HB3 H 2.960 0.03 2 313 32 32 ASN HD21 H 8.263 0.03 2 314 32 32 ASN HD22 H 7.436 0.03 2 315 32 32 ASN C C 175.252 0.3 1 316 32 32 ASN CA C 55.594 0.3 1 317 32 32 ASN CB C 38.915 0.3 1 318 32 32 ASN N N 118.605 0.3 1 319 32 32 ASN ND2 N 114.737 0.3 1 320 33 33 SER H H 7.796 0.03 1 321 33 33 SER HA H 4.582 0.03 1 322 33 33 SER HB2 H 3.905 0.03 2 323 33 33 SER HB3 H 4.100 0.03 2 324 33 33 SER C C 173.822 0.3 1 325 33 33 SER CA C 57.508 0.3 1 326 33 33 SER CB C 62.976 0.3 1 327 33 33 SER N N 110.612 0.3 1 328 34 34 LEU H H 8.376 0.03 1 329 34 34 LEU HA H 3.707 0.03 1 330 34 34 LEU HB2 H 1.870 0.03 2 331 34 34 LEU HB3 H 2.263 0.03 2 332 34 34 LEU HD1 H 1.021 0.03 2 333 34 34 LEU HD2 H 0.888 0.03 2 334 34 34 LEU HG H 1.521 0.03 1 335 34 34 LEU C C 175.516 0.3 1 336 34 34 LEU CA C 57.508 0.3 1 337 34 34 LEU CB C 37.548 0.3 1 338 34 34 LEU CD1 C 25.244 0.3 1 339 34 34 LEU CD2 C 24.434 0.3 1 340 34 34 LEU CG C 28.525 0.3 1 341 34 34 LEU N N 117.187 0.3 1 342 35 35 GLU H H 7.570 0.03 1 343 35 35 GLU HA H 4.586 0.03 1 344 35 35 GLU HB2 H 1.917 0.03 2 345 35 35 GLU HB3 H 2.094 0.03 2 346 35 35 GLU HG2 H 2.213 0.03 2 347 35 35 GLU HG3 H 2.213 0.03 2 348 35 35 GLU C C 176.005 0.3 1 349 35 35 GLU CA C 55.047 0.3 1 350 35 35 GLU CB C 30.986 0.3 1 351 35 35 GLU CG C 36.728 0.3 1 352 35 35 GLU N N 117.445 0.3 1 353 36 36 GLU H H 8.711 0.03 1 354 36 36 GLU HA H 4.740 0.03 1 355 36 36 GLU HB2 H 1.856 0.03 2 356 36 36 GLU HB3 H 1.989 0.03 2 357 36 36 GLU HG2 H 2.065 0.03 2 358 36 36 GLU HG3 H 2.454 0.03 2 359 36 36 GLU C C 176.833 0.3 1 360 36 36 GLU CA C 56.923 0.3 1 361 36 36 GLU CB C 30.986 0.3 1 362 36 36 GLU CG C 37.548 0.3 1 363 36 36 GLU N N 121.183 0.3 1 364 37 37 LYS H H 9.175 0.03 1 365 37 37 LYS HA H 4.632 0.03 1 366 37 37 LYS HB2 H 1.381 0.03 2 367 37 37 LYS HB3 H 1.474 0.03 2 368 37 37 LYS HD2 H 1.460 0.03 2 369 37 37 LYS HD3 H 1.565 0.03 2 370 37 37 LYS HE2 H 2.762 0.03 2 371 37 37 LYS HE3 H 2.829 0.03 2 372 37 37 LYS HG2 H 1.211 0.03 2 373 37 37 LYS HG3 H 1.431 0.03 2 374 37 37 LYS C C 173.671 0.3 1 375 37 37 LYS CA C 55.867 0.3 1 376 37 37 LYS CB C 35.907 0.3 1 377 37 37 LYS CD C 29.345 0.3 1 378 37 37 LYS CE C 41.923 0.3 1 379 37 37 LYS CG C 25.791 0.3 1 380 37 37 LYS N N 125.437 0.3 1 381 38 38 SER H H 9.299 0.03 1 382 38 38 SER HA H 5.317 0.03 1 383 38 38 SER HB2 H 3.973 0.03 2 384 38 38 SER HB3 H 4.067 0.03 2 385 38 38 SER C C 175.102 0.3 1 386 38 38 SER CA C 56.414 0.3 1 387 38 38 SER CB C 67.625 0.3 1 388 38 38 SER N N 121.312 0.3 1 389 39 39 LEU H H 6.960 0.03 1 390 39 39 LEU HA H 3.797 0.03 1 391 39 39 LEU HB2 H 1.056 0.03 2 392 39 39 LEU HB3 H 1.619 0.03 2 393 39 39 LEU HD1 H 0.912 0.03 2 394 39 39 LEU HD2 H 0.955 0.03 2 395 39 39 LEU HG H 1.446 0.03 1 396 39 39 LEU C C 179.845 0.3 1 397 39 39 LEU CA C 58.055 0.3 1 398 39 39 LEU CB C 40.556 0.3 1 399 39 39 LEU CD1 C 26.064 0.3 1 400 39 39 LEU CD2 C 23.057 0.3 1 401 39 39 LEU CG C 27.158 0.3 1 402 39 39 LEU N N 121.698 0.3 1 403 40 40 ALA H H 8.444 0.03 1 404 40 40 ALA HA H 3.880 0.03 1 405 40 40 ALA HB H 1.352 0.03 1 406 40 40 ALA C C 179.995 0.3 1 407 40 40 ALA CA C 55.321 0.3 1 408 40 40 ALA CB C 18.408 0.3 1 409 40 40 ALA N N 119.378 0.3 1 410 41 41 ASP H H 7.512 0.03 1 411 41 41 ASP HA H 4.488 0.03 1 412 41 41 ASP HB2 H 2.847 0.03 2 413 41 41 ASP HB3 H 2.847 0.03 2 414 41 41 ASP C C 176.720 0.3 1 415 41 41 ASP CA C 56.414 0.3 1 416 41 41 ASP CB C 42.196 0.3 1 417 41 41 ASP N N 114.609 0.3 1 418 42 42 MET H H 7.965 0.03 1 419 42 42 MET HA H 4.380 0.03 1 420 42 42 MET HB2 H 2.112 0.03 2 421 42 42 MET HB3 H 2.552 0.03 2 422 42 42 MET HE H 0.973 0.03 1 423 42 42 MET C C 175.440 0.3 1 424 42 42 MET CA C 56.688 0.3 1 425 42 42 MET CB C 33.173 0.3 1 426 42 42 MET CE C 17.041 0.3 1 427 42 42 MET CG C 35.634 0.3 1 428 42 42 MET N N 118.218 0.3 1 429 43 43 LYS H H 7.006 0.03 1 430 43 43 LYS HA H 4.345 0.03 1 431 43 43 LYS HB2 H 1.794 0.03 2 432 43 43 LYS HB3 H 1.906 0.03 2 433 43 43 LYS HD2 H 1.677 0.03 2 434 43 43 LYS HD3 H 1.677 0.03 2 435 43 43 LYS HE2 H 2.264 0.03 2 436 43 43 LYS HG2 H 1.330 0.03 2 437 43 43 LYS HG3 H 1.633 0.03 2 438 43 43 LYS C C 177.435 0.3 1 439 43 43 LYS CA C 57.781 0.3 1 440 43 43 LYS CB C 33.447 0.3 1 441 43 43 LYS CD C 29.345 0.3 1 442 43 43 LYS CE C 42.147 0.3 1 443 43 43 LYS CG C 26.064 0.3 1 444 43 43 LYS N N 117.702 0.3 1 445 44 44 GLY H H 9.047 0.03 1 446 44 44 GLY HA2 H 3.731 0.03 2 447 44 44 GLY HA3 H 4.625 0.03 2 448 44 44 GLY C C 173.671 0.3 1 449 44 44 GLY CA C 44.930 0.3 1 450 44 44 GLY N N 110.612 0.3 1 451 45 45 LYS H H 7.494 0.03 1 452 45 45 LYS HA H 4.754 0.03 1 453 45 45 LYS HB2 H 1.632 0.03 2 454 45 45 LYS HB3 H 1.841 0.03 2 455 45 45 LYS HD2 H 1.586 0.03 2 456 45 45 LYS HD3 H 1.586 0.03 2 457 45 45 LYS HE2 H 2.912 0.03 2 458 45 45 LYS HE3 H 2.912 0.03 2 459 45 45 LYS HG2 H 1.456 0.03 2 460 45 45 LYS HG3 H 1.456 0.03 2 461 45 45 LYS C C 175.214 0.3 1 462 45 45 LYS CA C 54.820 0.3 1 463 45 45 LYS CB C 36.454 0.3 1 464 45 45 LYS CD C 29.072 0.3 1 465 45 45 LYS CE C 42.035 0.3 1 466 45 45 LYS CG C 25.244 0.3 1 467 45 45 LYS N N 118.862 0.3 1 468 46 46 VAL H H 9.004 0.03 1 469 46 46 VAL HA H 3.908 0.03 1 470 46 46 VAL HB H 2.069 0.03 1 471 46 46 VAL HG1 H 1.070 0.03 2 472 46 46 VAL HG2 H 1.200 0.03 2 473 46 46 VAL C C 174.876 0.3 1 474 46 46 VAL CA C 65.164 0.3 1 475 46 46 VAL CB C 31.533 0.3 1 476 46 46 VAL CG1 C 21.416 0.3 1 477 46 46 VAL CG2 C 24.424 0.3 1 478 46 46 VAL N N 126.468 0.3 1 479 47 47 THR H H 8.900 0.03 1 480 47 47 THR HA H 5.474 0.03 1 481 47 47 THR HB H 4.008 0.03 1 482 47 47 THR HG2 H 1.426 0.03 1 483 47 47 THR C C 172.579 0.3 1 484 47 47 THR CA C 62.429 0.3 1 485 47 47 THR CB C 74.187 0.3 1 486 47 47 THR CG2 C 21.689 0.3 1 487 47 47 THR N N 124.277 0.3 1 488 48 48 ILE H H 9.210 0.03 1 489 48 48 ILE HA H 4.859 0.03 1 490 48 48 ILE HB H 1.732 0.03 1 491 48 48 ILE HD1 H 0.721 0.03 1 492 48 48 ILE HG12 H 0.970 0.03 1 493 48 48 ILE HG13 H 1.619 0.03 1 494 48 48 ILE HG2 H 0.540 0.03 1 495 48 48 ILE C C 173.972 0.3 1 496 48 48 ILE CA C 60.591 0.3 1 497 48 48 ILE CB C 40.282 0.3 1 498 48 48 ILE CD1 C 13.760 0.3 1 499 48 48 ILE CG1 C 27.705 0.3 1 500 48 48 ILE CG2 C 15.948 0.3 1 501 48 48 ILE N N 126.597 0.3 1 502 49 49 ILE H H 9.535 0.03 1 503 49 49 ILE HA H 4.441 0.03 1 504 49 49 ILE HB H 1.784 0.03 1 505 49 49 ILE HD1 H 0.664 0.03 1 506 49 49 ILE HG12 H 0.656 0.03 1 507 49 49 ILE HG13 H 1.665 0.03 1 508 49 49 ILE HG2 H 0.391 0.03 1 509 49 49 ILE C C 174.650 0.3 1 510 49 49 ILE CA C 60.773 0.3 1 511 49 49 ILE CB C 40.282 0.3 1 512 49 49 ILE CD1 C 13.213 0.3 1 513 49 49 ILE CG1 C 28.525 0.3 1 514 49 49 ILE CG2 C 18.135 0.3 1 515 49 49 ILE N N 126.468 0.3 1 516 50 50 SER H H 8.659 0.03 1 517 50 50 SER HA H 4.654 0.03 1 518 50 50 SER HB2 H 2.584 0.03 2 519 50 50 SER HB3 H 3.553 0.03 2 520 50 50 SER C C 172.692 0.3 1 521 50 50 SER CA C 56.063 0.3 1 522 50 50 SER CB C 62.170 0.3 1 523 50 50 SER N N 122.112 0.3 1 524 51 51 VAL H H 9.024 0.03 1 525 51 51 VAL HA H 4.760 0.03 1 526 51 51 VAL HB H 2.607 0.03 1 527 51 51 VAL HG1 H 0.857 0.03 2 528 51 51 VAL HG2 H 0.883 0.03 2 529 51 51 VAL CA C 61.595 0.3 1 530 51 51 VAL CB C 32.080 0.3 1 531 51 51 VAL CG1 C 23.603 0.3 1 532 51 51 VAL CG2 C 24.971 0.3 1 533 51 51 VAL N N 130.851 0.3 1 534 52 52 ILE H H 7.595 0.03 1 535 52 52 ILE HA H 5.088 0.03 1 536 52 52 ILE HD1 H 0.455 0.03 1 537 52 52 ILE HG12 H 2.459 0.03 1 538 52 52 ILE HG13 H 1.564 0.03 1 539 52 52 ILE HG2 H 0.677 0.03 1 540 52 52 ILE CA C 57.100 0.3 1 541 52 52 ILE CB C 39.594 0.3 1 542 52 52 ILE CD1 C 14.854 0.3 1 543 52 52 ILE CG1 C 24.625 0.3 1 544 52 52 ILE CG2 C 18.408 0.3 1 545 53 53 PRO HB2 H 1.466 0.03 2 546 53 53 PRO HB3 H 0.915 0.03 2 547 53 53 PRO HD2 H 3.413 0.03 2 548 53 53 PRO HG2 H 1.953 0.03 2 549 53 53 PRO HG3 H 2.279 0.03 2 550 53 53 PRO CA C 65.247 0.3 1 551 53 53 PRO CB C 32.960 0.3 1 552 53 53 PRO CD C 52.669 0.3 1 553 53 53 PRO CG C 26.885 0.3 1 554 54 54 SER HA H 4.891 0.03 1 555 54 54 SER HB2 H 2.700 0.03 2 556 54 54 SER HB3 H 4.224 0.03 2 557 54 54 SER CA C 58.890 0.3 1 558 54 54 SER CB C 65.160 0.3 1 559 55 55 ILE H H 10.201 0.03 1 560 55 55 ILE HA H 3.442 0.03 1 561 55 55 ILE HB H 1.108 0.03 1 562 55 55 ILE HD1 H -0.275 0.03 1 563 55 55 ILE HG12 H -0.043 0.03 1 564 55 55 ILE HG13 H -0.043 0.03 1 565 55 55 ILE HG2 H 0.386 0.03 1 566 55 55 ILE CA C 60.516 0.3 1 567 55 55 ILE CB C 39.387 0.3 1 568 55 55 ILE CD1 C 14.034 0.3 1 569 55 55 ILE CG1 C 29.072 0.3 1 570 55 55 ILE CG2 C 16.941 0.3 1 571 55 55 ILE N N 133.370 0.3 1 572 56 56 ASP H H 7.299 0.03 1 573 56 56 ASP HA H 4.803 0.03 1 574 56 56 ASP HB2 H 2.884 0.03 2 575 56 56 ASP HB3 H 2.183 0.03 2 576 56 56 ASP CA C 54.539 0.3 1 577 56 56 ASP CB C 43.016 0.3 1 578 57 57 THR H H 7.966 0.03 1 579 57 57 THR HA H 4.781 0.03 1 580 57 57 THR HB H 4.170 0.03 1 581 57 57 THR HG2 H 0.501 0.03 1 582 57 57 THR C C 175.440 0.3 1 583 57 57 THR CA C 60.846 0.3 1 584 57 57 THR CB C 70.906 0.3 1 585 57 57 THR CG2 C 21.416 0.3 1 586 57 57 THR N N 111.513 0.3 1 587 58 58 GLY H H 8.265 0.03 1 588 58 58 GLY HA2 H 3.893 0.03 2 589 58 58 GLY HA3 H 4.048 0.03 2 590 58 58 GLY C C 173.520 0.3 1 591 58 58 GLY CA C 48.757 0.3 1 592 58 58 GLY N N 106.229 0.3 1 593 59 59 VAL HA H 3.668 0.03 1 594 59 59 VAL HB H 1.995 0.03 1 595 59 59 VAL HG1 H 0.098 0.03 2 596 59 59 VAL HG2 H 0.967 0.03 2 597 59 59 VAL C C 175.854 0.3 1 598 59 59 VAL CA C 67.351 0.3 1 599 59 59 VAL CB C 31.533 0.3 1 600 59 59 VAL CG1 C 18.408 0.3 1 601 59 59 VAL CG2 C 22.236 0.3 1 602 60 60 CYS H H 8.320 0.03 1 603 60 60 CYS HA H 4.170 0.03 1 604 60 60 CYS HB2 H 2.955 0.03 2 605 60 60 CYS CA C 58.328 0.3 1 606 60 60 CYS CB C 32.830 0.3 1 607 61 61 ASP H H 8.097 0.03 1 608 61 61 ASP HA H 4.078 0.03 1 609 61 61 ASP HB2 H 3.125 0.03 2 610 61 61 ASP HB3 H 3.027 0.03 2 611 61 61 ASP CA C 56.888 0.3 1 612 61 61 ASP CB C 42.326 0.3 1 613 62 62 ALA H H 7.805 0.03 1 614 62 62 ALA HA H 4.143 0.03 1 615 62 62 ALA HB H 1.821 0.03 1 616 62 62 ALA C C 180.485 0.3 1 617 62 62 ALA CA C 55.594 0.3 1 618 62 62 ALA CB C 18.408 0.3 1 619 62 62 ALA N N 121.312 0.3 1 620 63 63 GLN H H 7.722 0.03 1 621 63 63 GLN HA H 4.797 0.03 1 622 63 63 GLN HB2 H 2.676 0.03 2 623 63 63 GLN HB3 H 2.002 0.03 2 624 63 63 GLN C C 178.527 0.3 1 625 63 63 GLN CA C 58.221 0.3 1 626 63 63 GLN CB C 29.238 0.3 1 627 63 63 GLN CG C 32.779 0.3 1 628 64 64 THR H H 8.084 0.03 1 629 64 64 THR HA H 4.452 0.03 1 630 64 64 THR HB H 4.187 0.03 1 631 64 64 THR HG2 H 1.211 0.03 1 632 64 64 THR C C 178.527 0.3 1 633 64 64 THR CA C 66.531 0.3 1 634 64 64 THR CB C 68.171 0.3 1 635 64 64 THR CG2 C 21.689 0.3 1 636 64 64 THR N N 116.800 0.3 1 637 65 65 ARG H H 8.743 0.03 1 638 65 65 ARG HB2 H 1.788 0.03 2 639 65 65 ARG HD2 H 3.050 0.03 2 640 65 65 ARG HG2 H 1.507 0.03 2 641 65 65 ARG CA C 59.507 0.3 1 642 65 65 ARG CB C 29.637 0.3 1 643 65 65 ARG CD C 43.238 0.3 1 644 65 65 ARG CG C 27.495 0.3 1 645 66 66 ARG H H 9.506 0.03 1 646 66 66 ARG HA H 4.056 0.03 1 647 66 66 ARG HB2 H 2.032 0.03 2 648 66 66 ARG HB3 H 1.829 0.03 2 649 66 66 ARG HD2 H 3.160 0.03 2 650 66 66 ARG HD3 H 3.196 0.03 2 651 66 66 ARG HG2 H 1.587 0.03 2 652 66 66 ARG HG3 H 1.705 0.03 2 653 66 66 ARG C C 177.624 0.3 1 654 66 66 ARG CA C 59.150 0.3 1 655 66 66 ARG CB C 29.259 0.3 1 656 66 66 ARG CD C 43.257 0.3 1 657 66 66 ARG CG C 27.603 0.3 1 658 66 66 ARG N N 122.472 0.3 1 659 67 67 PHE H H 8.638 0.03 1 660 67 67 PHE HA H 4.305 0.03 1 661 67 67 PHE HB2 H 3.027 0.03 2 662 67 67 PHE HB3 H 2.993 0.03 2 663 67 67 PHE C C 176.043 0.3 1 664 67 67 PHE CA C 64.217 0.3 1 665 67 67 PHE CB C 37.821 0.3 1 666 68 68 ASN H H 8.427 0.03 1 667 68 68 ASN HA H 4.391 0.03 1 668 68 68 ASN HB2 H 3.178 0.03 2 669 68 68 ASN HB3 H 2.611 0.03 2 670 68 68 ASN C C 177.172 0.3 1 671 68 68 ASN CA C 58.328 0.3 1 672 68 68 ASN CB C 40.556 0.3 1 673 68 68 ASN N N 118.862 0.3 1 674 69 69 GLU H H 7.950 0.03 1 675 69 69 GLU HA H 4.116 0.03 1 676 69 69 GLU HB2 H 2.180 0.03 2 677 69 69 GLU HB3 H 2.301 0.03 2 678 69 69 GLU HG2 H 2.271 0.03 2 679 69 69 GLU HG3 H 2.433 0.03 2 680 69 69 GLU C C 179.468 0.3 1 681 69 69 GLU CA C 59.148 0.3 1 682 69 69 GLU CB C 29.619 0.3 1 683 69 69 GLU CG C 36.454 0.3 1 684 69 69 GLU N N 119.507 0.3 1 685 70 70 GLU H H 8.486 0.03 1 686 70 70 GLU HA H 4.205 0.03 1 687 70 70 GLU HB2 H 1.880 0.03 2 688 70 70 GLU HB3 H 2.193 0.03 2 689 70 70 GLU HG2 H 2.082 0.03 2 690 70 70 GLU HG3 H 2.501 0.03 2 691 70 70 GLU C C 179.468 0.3 1 692 70 70 GLU CA C 58.054 0.3 1 693 70 70 GLU CB C 28.798 0.3 1 694 70 70 GLU CG C 34.813 0.3 1 695 70 70 GLU N N 117.058 0.3 1 696 71 71 ALA H H 8.646 0.03 1 697 71 71 ALA HA H 3.955 0.03 1 698 71 71 ALA HB H 1.563 0.03 1 699 71 71 ALA C C 178.226 0.3 1 700 71 71 ALA CA C 55.047 0.3 1 701 71 71 ALA CB C 18.955 0.3 1 702 71 71 ALA N N 121.570 0.3 1 703 72 72 ALA H H 7.377 0.03 1 704 72 72 ALA HA H 4.103 0.03 1 705 72 72 ALA HB H 1.615 0.03 1 706 72 72 ALA C C 178.570 0.3 1 707 72 72 ALA CA C 54.227 0.3 1 708 72 72 ALA CB C 18.682 0.3 1 709 72 72 ALA N N 117.702 0.3 1 710 73 73 LYS H H 7.397 0.03 1 711 73 73 LYS HA H 4.448 0.03 1 712 73 73 LYS HB2 H 1.906 0.03 2 713 73 73 LYS HB3 H 2.083 0.03 2 714 73 73 LYS HD2 H 1.745 0.03 2 715 73 73 LYS HD3 H 1.745 0.03 2 716 73 73 LYS HE2 H 2.935 0.03 2 717 73 73 LYS HE3 H 3.128 0.03 2 718 73 73 LYS HG2 H 1.497 0.03 2 719 73 73 LYS HG3 H 1.558 0.03 2 720 73 73 LYS C C 176.800 0.3 1 721 73 73 LYS CA C 56.414 0.3 1 722 73 73 LYS CB C 33.173 0.3 1 723 73 73 LYS CD C 29.345 0.3 1 724 73 73 LYS CE C 42.469 0.3 1 725 73 73 LYS CG C 25.244 0.3 1 726 73 73 LYS N N 114.609 0.3 1 727 74 74 LEU H H 7.351 0.03 1 728 74 74 LEU HA H 4.470 0.03 1 729 74 74 LEU HB2 H 1.477 0.03 2 730 74 74 LEU HB3 H 1.782 0.03 2 731 74 74 LEU HD1 H 0.813 0.03 2 732 74 74 LEU HD2 H 0.861 0.03 2 733 74 74 LEU HG H 1.815 0.03 1 734 74 74 LEU C C 176.360 0.3 1 735 74 74 LEU CA C 54.227 0.3 1 736 74 74 LEU CB C 43.563 0.3 1 737 74 74 LEU CD1 C 25.791 0.3 1 738 74 74 LEU CD2 C 23.603 0.3 1 739 74 74 LEU CG C 26.338 0.3 1 740 74 74 LEU N N 120.538 0.3 1 741 75 75 GLY H H 8.075 0.03 1 742 75 75 GLY HA2 H 3.933 0.03 2 743 75 75 GLY HA3 H 3.933 0.03 2 744 75 75 GLY C C 174.610 0.3 1 745 75 75 GLY CA C 46.024 0.3 1 746 75 75 GLY N N 107.776 0.3 1 747 76 76 ASP H H 8.540 0.03 1 748 76 76 ASP HA H 4.709 0.03 1 749 76 76 ASP HB2 H 2.575 0.03 2 750 76 76 ASP HB3 H 2.933 0.03 2 751 76 76 ASP C C 173.630 0.3 1 752 76 76 ASP CA C 54.774 0.3 1 753 76 76 ASP CB C 40.282 0.3 1 754 76 76 ASP N N 122.472 0.3 1 755 77 77 VAL H H 7.567 0.03 1 756 77 77 VAL HA H 4.523 0.03 1 757 77 77 VAL HB H 1.855 0.03 1 758 77 77 VAL HG1 H 0.753 0.03 2 759 77 77 VAL HG2 H 0.753 0.03 2 760 77 77 VAL C C 175.740 0.3 1 761 77 77 VAL CA C 59.969 0.3 1 762 77 77 VAL CB C 35.087 0.3 1 763 77 77 VAL CG1 C 21.416 0.3 1 764 77 77 VAL CG2 C 21.416 0.3 1 765 77 77 VAL N N 118.476 0.3 1 766 78 78 ASN H H 8.699 0.03 1 767 78 78 ASN HA H 4.883 0.03 1 768 78 78 ASN HB2 H 2.319 0.03 2 769 78 78 ASN HB3 H 2.864 0.03 2 770 78 78 ASN HD21 H 7.733 0.03 2 771 78 78 ASN HD22 H 7.055 0.03 2 772 78 78 ASN C C 173.950 0.3 1 773 78 78 ASN CA C 51.910 0.3 1 774 78 78 ASN CB C 40.009 0.3 1 775 78 78 ASN N N 123.632 0.3 1 776 78 78 ASN ND2 N 113.964 0.3 1 777 79 79 VAL H H 8.620 0.03 1 778 79 79 VAL HA H 4.866 0.03 1 779 79 79 VAL HB H 2.039 0.03 1 780 79 79 VAL HG1 H 0.863 0.03 2 781 79 79 VAL HG2 H 0.890 0.03 2 782 79 79 VAL C C 174.280 0.3 1 783 79 79 VAL CA C 61.240 0.3 1 784 79 79 VAL CB C 32.626 0.3 1 785 79 79 VAL CG1 C 21.689 0.3 1 786 79 79 VAL CG2 C 21.143 0.3 1 787 79 79 VAL N N 122.472 0.3 1 788 80 80 TYR H H 9.015 0.03 1 789 80 80 TYR HA H 5.768 0.03 1 790 80 80 TYR HB2 H 2.395 0.03 2 791 80 80 TYR HB3 H 2.769 0.03 2 792 80 80 TYR HD1 H 6.949 0.03 3 793 80 80 TYR HE1 H 6.815 0.03 3 794 80 80 TYR C C 176.910 0.3 1 795 80 80 TYR CA C 55.594 0.3 1 796 80 80 TYR CB C 42.196 0.3 1 797 80 80 TYR N N 124.534 0.3 1 798 81 81 THR H H 8.717 0.03 1 799 81 81 THR HA H 5.887 0.03 1 800 81 81 THR HB H 3.638 0.03 1 801 81 81 THR HG2 H 1.050 0.03 1 802 81 81 THR C C 172.200 0.3 1 803 81 81 THR CA C 61.062 0.3 1 804 81 81 THR CB C 73.366 0.3 1 805 81 81 THR CG2 C 19.502 0.3 1 806 81 81 THR N N 117.831 0.3 1 807 82 82 ILE H H 8.674 0.03 1 808 82 82 ILE HA H 5.079 0.03 1 809 82 82 ILE HB H 0.755 0.03 1 810 82 82 ILE HD1 H -0.650 0.03 1 811 82 82 ILE HG12 H 0.485 0.03 1 812 82 82 ILE HG13 H 0.851 0.03 1 813 82 82 ILE HG2 H 0.186 0.03 1 814 82 82 ILE C C 173.400 0.3 1 815 82 82 ILE CA C 59.695 0.3 1 816 82 82 ILE CB C 39.189 0.3 1 817 82 82 ILE CD1 C 12.120 0.3 1 818 82 82 ILE CG1 C 27.158 0.3 1 819 82 82 ILE CG2 C 17.041 0.3 1 820 82 82 ILE N N 126.210 0.3 1 821 83 83 SER H H 7.885 0.03 1 822 83 83 SER HA H 5.021 0.03 1 823 83 83 SER HB2 H 4.773 0.03 2 824 83 83 SER C C 173.080 0.3 1 825 83 83 SER CA C 56.961 0.3 1 826 83 83 SER CB C 69.230 0.3 1 827 83 83 SER N N 117.316 0.3 1 828 84 84 ALA H H 9.910 0.03 1 829 84 84 ALA HA H 4.233 0.03 1 830 84 84 ALA HB H 1.585 0.03 1 831 84 84 ALA C C 176.030 0.3 1 832 84 84 ALA CA C 51.766 0.3 1 833 84 84 ALA CB C 19.229 0.3 1 834 84 84 ALA N N 120.925 0.3 1 835 85 85 ASP H H 7.938 0.03 1 836 85 85 ASP HA H 4.374 0.03 1 837 85 85 ASP HB2 H 2.721 0.03 2 838 85 85 ASP HB3 H 2.721 0.03 2 839 85 85 ASP C C 175.591 0.3 1 840 85 85 ASP CA C 55.594 0.3 1 841 85 85 ASP CB C 43.563 0.3 1 842 85 85 ASP N N 114.995 0.3 1 843 86 86 LEU H H 8.442 0.03 1 844 86 86 LEU HA H 4.078 0.03 1 845 86 86 LEU HB2 H 2.396 0.03 2 846 86 86 LEU HB3 H 2.396 0.03 2 847 86 86 LEU HD1 H 1.103 0.03 2 848 86 86 LEU HD2 H 0.475 0.03 2 849 86 86 LEU HG H 1.895 0.03 1 850 86 86 LEU CA C 54.226 0.3 1 851 86 86 LEU CB C 39.462 0.3 1 852 86 86 LEU CD1 C 26.064 0.3 1 853 86 86 LEU CD2 C 22.236 0.3 1 854 86 86 LEU CG C 27.705 0.3 1 855 86 86 LEU N N 118.734 0.3 1 856 87 87 PRO HA H 4.349 0.03 1 857 87 87 PRO HB2 H 1.048 0.03 2 858 87 87 PRO HB3 H 2.725 0.03 2 859 87 87 PRO HD2 H 3.858 0.03 2 860 87 87 PRO HG2 H 1.579 0.03 2 861 87 87 PRO HG3 H 1.940 0.03 2 862 87 87 PRO CA C 64.343 0.3 1 863 87 87 PRO CB C 32.353 0.3 1 864 87 87 PRO CD C 50.039 0.3 1 865 87 87 PRO CG C 27.556 0.3 1 866 88 88 PHE H H 5.529 0.03 1 867 88 88 PHE HA H 4.381 0.03 1 868 88 88 PHE HB2 H 2.751 0.03 2 869 88 88 PHE HB3 H 3.416 0.03 2 870 88 88 PHE HD1 H 7.403 0.03 3 871 88 88 PHE C C 178.520 0.3 1 872 88 88 PHE CA C 58.055 0.3 1 873 88 88 PHE CB C 39.462 0.3 1 874 88 88 PHE N N 110.483 0.3 1 875 89 89 ALA H H 7.004 0.03 1 876 89 89 ALA HA H 4.231 0.03 1 877 89 89 ALA HB H 1.680 0.03 1 878 89 89 ALA C C 180.410 0.3 1 879 89 89 ALA CA C 55.321 0.3 1 880 89 89 ALA CB C 20.049 0.3 1 881 89 89 ALA N N 121.956 0.3 1 882 90 90 GLN H H 7.290 0.03 1 883 90 90 GLN HA H 3.862 0.03 1 884 90 90 GLN HB2 H 2.367 0.03 2 885 90 90 GLN HB3 H 2.367 0.03 2 886 90 90 GLN HE21 H 7.049 0.03 2 887 90 90 GLN HE22 H 6.650 0.03 2 888 90 90 GLN HG2 H 1.588 0.03 2 889 90 90 GLN HG3 H 2.447 0.03 2 890 90 90 GLN C C 178.050 0.3 1 891 90 90 GLN CA C 60.242 0.3 1 892 90 90 GLN CB C 27.978 0.3 1 893 90 90 GLN CG C 35.087 0.3 1 894 90 90 GLN N N 116.671 0.3 1 895 90 90 GLN NE2 N 108.937 0.3 1 896 91 91 ALA H H 8.619 0.03 1 897 91 91 ALA HA H 4.104 0.03 1 898 91 91 ALA HB H 1.536 0.03 1 899 91 91 ALA C C 180.950 0.3 1 900 91 91 ALA CA C 55.321 0.3 1 901 91 91 ALA CB C 18.682 0.3 1 902 91 91 ALA N N 120.925 0.3 1 903 92 92 ARG H H 7.779 0.03 1 904 92 92 ARG HA H 4.127 0.03 1 905 92 92 ARG HB2 H 1.756 0.03 2 906 92 92 ARG HB3 H 1.847 0.03 2 907 92 92 ARG HD2 H 3.244 0.03 2 908 92 92 ARG HD3 H 3.128 0.03 2 909 92 92 ARG HG2 H 1.646 0.03 2 910 92 92 ARG HG3 H 1.970 0.03 2 911 92 92 ARG C C 178.770 0.3 1 912 92 92 ARG CA C 59.148 0.3 1 913 92 92 ARG CB C 29.345 0.3 1 914 92 92 ARG CG C 25.244 0.3 1 915 92 92 ARG N N 120.152 0.3 1 916 93 93 TRP H H 8.456 0.03 1 917 93 93 TRP HA H 4.130 0.03 1 918 93 93 TRP HB2 H 3.412 0.03 2 919 93 93 TRP HB3 H 3.616 0.03 2 920 93 93 TRP HD1 H 7.183 0.03 1 921 93 93 TRP HE1 H 10.281 0.03 1 922 93 93 TRP HH2 H 6.868 0.03 1 923 93 93 TRP HZ2 H 7.449 0.03 1 924 93 93 TRP HZ3 H 6.756 0.03 1 925 93 93 TRP C C 180.020 0.3 1 926 93 93 TRP CA C 62.703 0.3 1 927 93 93 TRP CB C 29.072 0.3 1 928 93 93 TRP N N 121.441 0.3 1 929 93 93 TRP NE1 N 131.860 0.3 1 930 94 94 CYS H H 8.996 0.03 1 931 94 94 CYS HA H 3.981 0.03 1 932 94 94 CYS HB2 H 3.261 0.03 2 933 94 94 CYS HB3 H 3.261 0.03 2 934 94 94 CYS C C 178.000 0.3 1 935 94 94 CYS CA C 64.890 0.3 1 936 94 94 CYS CB C 27.160 0.3 1 937 94 94 CYS N N 117.831 0.3 1 938 95 95 GLY H H 8.335 0.03 1 939 95 95 GLY HA2 H 3.934 0.03 2 940 95 95 GLY HA3 H 3.934 0.03 2 941 95 95 GLY C C 176.210 0.3 1 942 95 95 GLY CA C 46.844 0.3 1 943 95 95 GLY N N 106.358 0.3 1 944 96 96 ALA H H 8.075 0.03 1 945 96 96 ALA HA H 4.177 0.03 1 946 96 96 ALA HB H 1.360 0.03 1 947 96 96 ALA C C 178.960 0.3 1 948 96 96 ALA CA C 53.953 0.3 1 949 96 96 ALA CB C 18.682 0.3 1 950 96 96 ALA N N 122.859 0.3 1 951 97 97 ASN H H 7.083 0.03 1 952 97 97 ASN HA H 4.645 0.03 1 953 97 97 ASN HB2 H 1.434 0.03 2 954 97 97 ASN HB3 H 2.143 0.03 2 955 97 97 ASN HD21 H 6.739 0.03 2 956 97 97 ASN HD22 H 5.734 0.03 2 957 97 97 ASN C C 174.390 0.3 1 958 97 97 ASN CA C 53.407 0.3 1 959 97 97 ASN CB C 39.730 0.3 1 960 97 97 ASN N N 110.870 0.3 1 961 97 97 ASN ND2 N 116.284 0.3 1 962 98 98 GLY H H 7.474 0.03 1 963 98 98 GLY HA2 H 3.773 0.03 2 964 98 98 GLY HA3 H 3.965 0.03 2 965 98 98 GLY C C 174.540 0.3 1 966 98 98 GLY CA C 47.391 0.3 1 967 98 98 GLY N N 110.097 0.3 1 968 99 99 ILE H H 7.750 0.03 1 969 99 99 ILE HA H 4.007 0.03 1 970 99 99 ILE HB H 2.070 0.03 1 971 99 99 ILE HD1 H 0.612 0.03 1 972 99 99 ILE HG2 H 1.066 0.03 1 973 99 99 ILE C C 175.450 0.3 1 974 99 99 ILE CA C 59.148 0.3 1 975 99 99 ILE CB C 35.634 0.3 1 976 99 99 ILE CD1 C 9.385 0.3 1 977 99 99 ILE CG1 C 25.723 0.3 1 978 99 99 ILE CG2 C 17.041 0.3 1 979 99 99 ILE N N 120.538 0.3 1 980 100 100 ASP H H 8.662 0.03 1 981 100 100 ASP HA H 4.836 0.03 1 982 100 100 ASP HB2 H 2.566 0.03 2 983 100 100 ASP HB3 H 2.921 0.03 2 984 100 100 ASP C C 176.790 0.3 1 985 100 100 ASP CA C 53.750 0.3 1 986 100 100 ASP CB C 42.180 0.3 1 987 100 100 ASP N N 125.050 0.3 1 988 101 101 LYS H H 8.740 0.03 1 989 101 101 LYS HA H 4.650 0.03 1 990 101 101 LYS HB2 H 2.015 0.03 2 991 101 101 LYS HB3 H 1.942 0.03 2 992 101 101 LYS HD2 H 1.692 0.03 2 993 101 101 LYS HD3 H 1.692 0.03 2 994 101 101 LYS HE2 H 3.068 0.03 2 995 101 101 LYS HE3 H 3.068 0.03 2 996 101 101 LYS HG2 H 1.436 0.03 2 997 101 101 LYS HG3 H 1.549 0.03 2 998 101 101 LYS C C 176.250 0.3 1 999 101 101 LYS CA C 55.867 0.3 1 1000 101 101 LYS CB C 32.690 0.3 1 1001 101 101 LYS CD C 27.980 0.3 1 1002 101 101 LYS CE C 42.400 0.3 1 1003 101 101 LYS CG C 24.697 0.3 1 1004 101 101 LYS N N 119.765 0.3 1 1005 102 102 VAL H H 7.263 0.03 1 1006 102 102 VAL HA H 4.289 0.03 1 1007 102 102 VAL HB H 1.745 0.03 1 1008 102 102 VAL HG1 H 0.896 0.03 2 1009 102 102 VAL HG2 H 0.896 0.03 2 1010 102 102 VAL C C 173.730 0.3 1 1011 102 102 VAL CA C 60.242 0.3 1 1012 102 102 VAL CB C 34.540 0.3 1 1013 102 102 VAL CG1 C 21.416 0.3 1 1014 102 102 VAL CG2 C 21.416 0.3 1 1015 102 102 VAL N N 115.769 0.3 1 1016 103 103 GLU H H 7.859 0.03 1 1017 103 103 GLU HA H 4.662 0.03 1 1018 103 103 GLU HB2 H 2.008 0.03 2 1019 103 103 GLU HB3 H 2.084 0.03 2 1020 103 103 GLU HG2 H 2.138 0.03 2 1021 103 103 GLU HG3 H 2.474 0.03 2 1022 103 103 GLU C C 176.360 0.3 1 1023 103 103 GLU CA C 55.047 0.3 1 1024 103 103 GLU CB C 31.260 0.3 1 1025 103 103 GLU CG C 36.454 0.3 1 1026 103 103 GLU N N 126.081 0.3 1 1027 104 104 THR H H 9.070 0.03 1 1028 104 104 THR HA H 5.084 0.03 1 1029 104 104 THR HB H 3.797 0.03 1 1030 104 104 THR HG2 H 0.987 0.03 1 1031 104 104 THR C C 172.310 0.3 1 1032 104 104 THR CA C 59.420 0.3 1 1033 104 104 THR CB C 70.085 0.3 1 1034 104 104 THR CG2 C 22.510 0.3 1 1035 104 104 THR N N 117.960 0.3 1 1036 105 105 LEU H H 8.838 0.03 1 1037 105 105 LEU HA H 5.022 0.03 1 1038 105 105 LEU HB2 H 1.099 0.03 2 1039 105 105 LEU HB3 H 1.452 0.03 2 1040 105 105 LEU HD1 H 0.291 0.03 2 1041 105 105 LEU HD2 H 0.845 0.03 2 1042 105 105 LEU HG H 1.509 0.03 1 1043 105 105 LEU C C 177.270 0.3 1 1044 105 105 LEU CA C 52.860 0.3 1 1045 105 105 LEU CB C 45.751 0.3 1 1046 105 105 LEU CD1 C 25.791 0.3 1 1047 105 105 LEU CD2 C 24.424 0.3 1 1048 105 105 LEU CG C 26.885 0.3 1 1049 105 105 LEU N N 119.721 0.3 1 1050 106 106 SER H H 9.796 0.03 1 1051 106 106 SER HA H 5.567 0.03 1 1052 106 106 SER HB2 H 3.776 0.03 2 1053 106 106 SER HB3 H 3.823 0.03 2 1054 106 106 SER C C 176.030 0.3 1 1055 106 106 SER CA C 56.414 0.3 1 1056 106 106 SER CB C 65.984 0.3 1 1057 106 106 SER N N 115.511 0.3 1 1058 107 107 ASP H H 9.260 0.03 1 1059 107 107 ASP HA H 5.521 0.03 1 1060 107 107 ASP HB2 H 1.916 0.03 2 1061 107 107 ASP HB3 H 2.487 0.03 2 1062 107 107 ASP C C 176.580 0.3 1 1063 107 107 ASP CA C 52.860 0.3 1 1064 107 107 ASP CB C 45.204 0.3 1 1065 107 107 ASP N N 133.429 0.3 1 1066 108 108 HIS H H 7.992 0.03 1 1067 108 108 HIS HA H 4.074 0.03 1 1068 108 108 HIS HB3 H 2.636 0.03 2 1069 108 108 HIS C C 175.920 0.3 1 1070 108 108 HIS CA C 59.300 0.3 1 1071 108 108 HIS N N 116.413 0.3 1 1072 109 109 ARG H H 7.312 0.03 1 1073 110 110 ASP HA H 4.876 0.03 1 1074 110 110 ASP HB2 H 2.566 0.03 2 1075 110 110 ASP HB3 H 2.718 0.03 2 1076 110 110 ASP C C 175.840 0.3 1 1077 110 110 ASP CA C 53.750 0.3 1 1078 110 110 ASP CB C 43.837 0.3 1 1079 111 111 MET H H 7.920 0.03 1 1080 111 111 MET HA H 4.528 0.03 1 1081 111 111 MET HB2 H 1.893 0.03 2 1082 111 111 MET HB3 H 1.453 0.03 2 1083 111 111 MET HE H 1.453 0.03 1 1084 111 111 MET C C 177.560 0.3 1 1085 111 111 MET CA C 56.414 0.3 1 1086 111 111 MET CB C 31.259 0.3 1 1087 111 111 MET CE C 19.229 0.3 1 1088 111 111 MET CG C 32.330 0.3 1 1089 111 111 MET N N 116.413 0.3 1 1090 112 112 SER H H 8.033 0.03 1 1091 112 112 SER HA H 4.274 0.03 1 1092 112 112 SER HB2 H 4.182 0.03 2 1093 112 112 SER HB3 H 4.390 0.03 2 1094 112 112 SER C C 179.173 0.3 1 1095 112 112 SER CA C 60.789 0.3 1 1096 112 112 SER CB C 64.617 0.3 1 1097 112 112 SER N N 113.964 0.3 1 1098 113 113 PHE H H 10.090 0.03 1 1099 113 113 PHE HA H 3.627 0.03 1 1100 113 113 PHE HB2 H 2.237 0.03 2 1101 113 113 PHE HB3 H 2.328 0.03 2 1102 113 113 PHE HD1 H 6.908 0.03 3 1103 113 113 PHE HE1 H 7.242 0.03 3 1104 113 113 PHE C C 177.380 0.3 1 1105 113 113 PHE CA C 62.156 0.3 1 1106 113 113 PHE CB C 37.860 0.3 1 1107 113 113 PHE N N 124.792 0.3 1 1108 114 114 GLY H H 10.710 0.03 1 1109 114 114 GLY HA2 H 3.247 0.03 2 1110 114 114 GLY HA3 H 3.411 0.03 2 1111 114 114 GLY C C 175.700 0.3 1 1112 114 114 GLY CA C 48.485 0.3 1 1113 114 114 GLY N N 108.808 0.3 1 1114 115 115 GLU H H 8.263 0.03 1 1115 115 115 GLU HA H 4.518 0.03 1 1116 115 115 GLU HB2 H 2.213 0.03 2 1117 115 115 GLU HB3 H 2.213 0.03 2 1118 115 115 GLU HG2 H 2.358 0.03 2 1119 115 115 GLU HG3 H 2.358 0.03 2 1120 115 115 GLU C C 178.880 0.3 1 1121 115 115 GLU CA C 58.875 0.3 1 1122 115 115 GLU CB C 29.892 0.3 1 1123 115 115 GLU CG C 36.728 0.3 1 1124 115 115 GLU N N 120.538 0.3 1 1125 116 116 ALA H H 7.945 0.03 1 1126 116 116 ALA HA H 4.143 0.03 1 1127 116 116 ALA HB H 1.657 0.03 1 1128 116 116 ALA C C 177.560 0.3 1 1129 116 116 ALA CA C 55.594 0.3 1 1130 116 116 ALA CB C 18.682 0.3 1 1131 116 116 ALA N N 123.116 0.3 1 1132 117 117 PHE H H 8.250 0.03 1 1133 117 117 PHE HA H 4.315 0.03 1 1134 117 117 PHE HB2 H 1.624 0.03 2 1135 117 117 PHE HB3 H 2.456 0.03 2 1136 117 117 PHE HD1 H 6.907 0.03 3 1137 117 117 PHE HE1 H 7.374 0.03 3 1138 117 117 PHE C C 175.370 0.3 1 1139 117 117 PHE CA C 56.688 0.3 1 1140 117 117 PHE CB C 38.095 0.3 1 1141 117 117 PHE N N 113.706 0.3 1 1142 118 118 GLY H H 7.652 0.03 1 1143 118 118 GLY HA2 H 3.550 0.03 2 1144 118 118 GLY HA3 H 4.318 0.03 2 1145 118 118 GLY C C 174.930 0.3 1 1146 118 118 GLY CA C 47.118 0.3 1 1147 118 118 GLY N N 112.159 0.3 1 1148 119 119 VAL H H 8.430 0.03 1 1149 119 119 VAL HA H 4.794 0.03 1 1150 119 119 VAL HB H 2.838 0.03 1 1151 119 119 VAL HG1 H 0.867 0.03 2 1152 119 119 VAL HG2 H 1.235 0.03 2 1153 119 119 VAL C C 174.990 0.3 1 1154 119 119 VAL CA C 59.470 0.3 1 1155 119 119 VAL CB C 32.353 0.3 1 1156 119 119 VAL CG1 C 21.143 0.3 1 1157 119 119 VAL CG2 C 23.057 0.3 1 1158 119 119 VAL N N 102.749 0.3 1 1159 120 120 TYR H H 6.883 0.03 1 1160 120 120 TYR HA H 4.509 0.03 1 1161 120 120 TYR HB2 H 2.651 0.03 2 1162 120 120 TYR HB3 H 3.325 0.03 2 1163 120 120 TYR HD1 H 6.877 0.03 3 1164 120 120 TYR HE1 H 6.846 0.03 3 1165 120 120 TYR C C 173.660 0.3 1 1166 120 120 TYR CA C 55.047 0.3 1 1167 120 120 TYR CB C 37.548 0.3 1 1168 120 120 TYR N N 124.663 0.3 1 1169 121 121 ILE H H 9.162 0.03 1 1170 121 121 ILE HA H 4.467 0.03 1 1171 121 121 ILE HB H 1.995 0.03 1 1172 121 121 ILE HD1 H 0.721 0.03 1 1173 121 121 ILE HG12 H 0.813 0.03 1 1174 121 121 ILE HG13 H 2.066 0.03 1 1175 121 121 ILE HG2 H 1.018 0.03 1 1176 121 121 ILE C C 176.470 0.3 1 1177 121 121 ILE CA C 61.883 0.3 1 1178 121 121 ILE CB C 38.095 0.3 1 1179 121 121 ILE CD1 C 12.940 0.3 1 1180 121 121 ILE CG1 C 27.705 0.3 1 1181 121 121 ILE CG2 C 18.955 0.3 1 1182 121 121 ILE N N 128.917 0.3 1 1183 122 122 LYS H H 9.335 0.03 1 1184 122 122 LYS HA H 3.627 0.03 1 1185 122 122 LYS HB2 H 1.358 0.03 2 1186 122 122 LYS HB3 H 1.640 0.03 2 1187 122 122 LYS HD2 H 1.441 0.03 2 1188 122 122 LYS HD3 H 1.485 0.03 2 1189 122 122 LYS HE2 H 2.894 0.03 2 1190 122 122 LYS HE3 H 2.894 0.03 2 1191 122 122 LYS HG2 H 1.132 0.03 2 1192 122 122 LYS HG3 H 1.289 0.03 2 1193 122 122 LYS C C 179.069 0.3 1 1194 122 122 LYS CA C 59.969 0.3 1 1195 122 122 LYS CB C 33.447 0.3 1 1196 122 122 LYS CD C 29.072 0.3 1 1197 122 122 LYS CE C 42.196 0.3 1 1198 122 122 LYS CG C 24.424 0.3 1 1199 122 122 LYS N N 134.695 0.3 1 1200 123 123 GLU H H 10.205 0.03 1 1201 123 123 GLU HA H 3.948 0.03 1 1202 123 123 GLU HB2 H 1.899 0.03 2 1203 123 123 GLU HB3 H 2.051 0.03 2 1204 123 123 GLU HG2 H 2.355 0.03 2 1205 123 123 GLU HG3 H 2.804 0.03 2 1206 123 123 GLU C C 176.638 0.3 1 1207 123 123 GLU CA C 61.336 0.3 1 1208 123 123 GLU CB C 29.072 0.3 1 1209 123 123 GLU CG C 37.821 0.3 1 1210 123 123 GLU N N 115.382 0.3 1 1211 124 124 LEU HA H 4.509 0.03 1 1212 124 124 LEU HB2 H 1.161 0.03 2 1213 124 124 LEU HB3 H 1.488 0.03 2 1214 124 124 LEU HD1 H 0.154 0.03 2 1215 124 124 LEU HD2 H 0.716 0.03 2 1216 124 124 LEU HG H 1.323 0.03 1 1217 124 124 LEU C C 175.403 0.3 1 1218 124 124 LEU CA C 53.680 0.3 1 1219 124 124 LEU CB C 44.930 0.3 1 1220 124 124 LEU CD1 C 24.697 0.3 1 1221 124 124 LEU CD2 C 22.236 0.3 1 1222 124 124 LEU CG C 27.158 0.3 1 1223 125 125 ARG H H 8.795 0.03 1 1224 125 125 ARG C C 173.100 0.3 1 1225 125 125 ARG CA C 57.760 0.3 1 1226 125 125 ARG CB C 30.650 0.3 1 1227 125 125 ARG N N 121.827 0.3 1 1228 126 126 LEU H H 6.751 0.03 1 1229 126 126 LEU HA H 4.666 0.03 1 1230 126 126 LEU HB2 H 1.242 0.03 2 1231 126 126 LEU HB3 H 1.593 0.03 2 1232 126 126 LEU HD1 H 0.922 0.03 2 1233 126 126 LEU HD2 H 1.222 0.03 2 1234 126 126 LEU C C 174.280 0.3 1 1235 126 126 LEU CA C 52.039 0.3 1 1236 126 126 LEU CB C 47.118 0.3 1 1237 126 126 LEU CD1 C 25.791 0.3 1 1238 126 126 LEU CD2 C 23.330 0.3 1 1239 126 126 LEU N N 112.417 0.3 1 1240 127 127 LEU H H 8.770 0.03 1 1241 127 127 LEU HA H 5.076 0.03 1 1242 127 127 LEU HB2 H 1.114 0.03 2 1243 127 127 LEU HB3 H 1.573 0.03 2 1244 127 127 LEU HD1 H 0.877 0.03 2 1245 127 127 LEU HD2 H 0.848 0.03 2 1246 127 127 LEU C C 175.000 0.3 1 1247 127 127 LEU CA C 53.407 0.3 1 1248 127 127 LEU CB C 42.196 0.3 1 1249 127 127 LEU CD1 C 23.873 0.3 1 1250 127 127 LEU CD2 C 27.000 0.3 1 1251 127 127 LEU CG C 27.046 0.3 1 1252 127 127 LEU N N 119.636 0.3 1 1253 128 128 ALA H H 9.330 0.03 1 1254 128 128 ALA HA H 3.868 0.03 1 1255 128 128 ALA HB H 1.467 0.03 1 1256 128 128 ALA C C 176.250 0.3 1 1257 128 128 ALA CA C 52.313 0.3 1 1258 128 128 ALA CB C 18.135 0.3 1 1259 128 128 ALA N N 121.312 0.3 1 1260 129 129 ARG H H 6.367 0.03 1 1261 129 129 ARG HA H 4.458 0.03 1 1262 129 129 ARG C C 176.680 0.3 1 1263 129 129 ARG CA C 56.600 0.3 1 1264 129 129 ARG CB C 29.780 0.3 1 1265 129 129 ARG CD C 42.060 0.3 1 1266 129 129 ARG CG C 25.110 0.3 1 1267 129 129 ARG N N 121.441 0.3 1 1268 130 130 SER H H 8.547 0.03 1 1269 130 130 SER HA H 4.775 0.03 1 1270 130 130 SER HB2 H 3.161 0.03 2 1271 130 130 SER HB3 H 3.960 0.03 2 1272 130 130 SER C C 172.310 0.3 1 1273 130 130 SER CA C 57.781 0.3 1 1274 130 130 SER CB C 63.500 0.3 1 1275 130 130 SER N N 120.280 0.3 1 1276 131 131 VAL H H 7.895 0.03 1 1277 131 131 VAL HA H 4.924 0.03 1 1278 131 131 VAL HB H 2.143 0.03 1 1279 131 131 VAL HG1 H 0.850 0.03 2 1280 131 131 VAL HG2 H 0.943 0.03 2 1281 131 131 VAL C C 173.200 0.3 1 1282 131 131 VAL CA C 60.880 0.3 1 1283 131 131 VAL CB C 36.728 0.3 1 1284 131 131 VAL CG1 C 21.963 0.3 1 1285 131 131 VAL CG2 C 23.057 0.3 1 1286 131 131 VAL N N 116.800 0.3 1 1287 132 132 PHE H H 9.086 0.03 1 1288 132 132 PHE HA H 5.508 0.03 1 1289 132 132 PHE HB2 H 2.768 0.03 2 1290 132 132 PHE HB3 H 3.193 0.03 2 1291 132 132 PHE HD1 H 7.073 0.03 3 1292 132 132 PHE HD2 H 7.173 0.03 3 1293 132 132 PHE HE1 H 6.929 0.03 3 1294 132 132 PHE HE2 H 6.670 0.03 3 1295 132 132 PHE C C 175.000 0.3 1 1296 132 132 PHE CA C 56.141 0.3 1 1297 132 132 PHE CB C 44.110 0.3 1 1298 132 132 PHE N N 122.085 0.3 1 1299 133 133 VAL H H 8.909 0.03 1 1300 133 133 VAL HA H 5.326 0.03 1 1301 133 133 VAL HB H 2.079 0.03 1 1302 133 133 VAL HG1 H 0.813 0.03 2 1303 133 133 VAL HG2 H 1.070 0.03 2 1304 133 133 VAL C C 174.390 0.3 1 1305 133 133 VAL CA C 61.336 0.3 1 1306 133 133 VAL CB C 34.540 0.3 1 1307 133 133 VAL CG1 C 20.596 0.3 1 1308 133 133 VAL CG2 C 21.416 0.3 1 1309 133 133 VAL N N 120.280 0.3 1 1310 134 134 LEU H H 9.956 0.03 1 1311 134 134 LEU HA H 5.680 0.03 1 1312 134 134 LEU HB2 H 1.729 0.03 2 1313 134 134 LEU HB3 H 1.922 0.03 2 1314 134 134 LEU HD1 H 1.020 0.03 2 1315 134 134 LEU HD2 H 0.907 0.03 2 1316 134 134 LEU HG H 1.751 0.03 1 1317 134 134 LEU C C 176.650 0.3 1 1318 134 134 LEU CA C 52.586 0.3 1 1319 134 134 LEU CB C 45.204 0.3 1 1320 134 134 LEU CD1 C 25.798 0.3 1 1321 134 134 LEU CD2 C 19.776 0.3 1 1322 134 134 LEU CG C 28.791 0.3 1 1323 134 134 LEU N N 129.562 0.3 1 1324 135 135 ASP H H 8.975 0.03 1 1325 135 135 ASP HA H 4.747 0.03 1 1326 135 135 ASP HB2 H 2.695 0.03 2 1327 135 135 ASP HB3 H 3.518 0.03 2 1328 135 135 ASP C C 177.270 0.3 1 1329 135 135 ASP CA C 52.130 0.3 1 1330 135 135 ASP CB C 40.829 0.3 1 1331 135 135 ASP N N 118.992 0.3 1 1332 136 136 GLU H H 10.019 0.03 1 1333 136 136 GLU HA H 3.913 0.03 1 1334 136 136 GLU HB2 H 1.805 0.03 2 1335 136 136 GLU HB3 H 1.881 0.03 2 1336 136 136 GLU HG2 H 2.203 0.03 2 1337 136 136 GLU HG3 H 2.278 0.03 2 1338 136 136 GLU C C 176.850 0.3 1 1339 136 136 GLU CA C 59.148 0.3 1 1340 136 136 GLU CB C 29.072 0.3 1 1341 136 136 GLU CG C 35.634 0.3 1 1342 136 136 GLU N N 116.413 0.3 1 1343 137 137 ASN H H 8.461 0.03 1 1344 137 137 ASN HA H 5.018 0.03 1 1345 137 137 ASN HB2 H 2.922 0.03 2 1346 137 137 ASN HB3 H 3.085 0.03 2 1347 137 137 ASN HD21 H 8.007 0.03 2 1348 137 137 ASN HD22 H 7.004 0.03 2 1349 137 137 ASN C C 175.960 0.3 1 1350 137 137 ASN CA C 52.860 0.3 1 1351 137 137 ASN CB C 40.009 0.3 1 1352 137 137 ASN N N 116.800 0.3 1 1353 137 137 ASN ND2 N 115.640 0.3 1 1354 138 138 GLY H H 8.391 0.03 1 1355 138 138 GLY HA2 H 3.669 0.03 2 1356 138 138 GLY HA3 H 4.224 0.03 2 1357 138 138 GLY C C 172.370 0.3 1 1358 138 138 GLY CA C 46.024 0.3 1 1359 138 138 GLY N N 109.323 0.3 1 1360 139 139 LYS H H 8.579 0.03 1 1361 139 139 LYS HA H 4.453 0.03 1 1362 139 139 LYS HB2 H 1.710 0.03 2 1363 139 139 LYS HB3 H 1.864 0.03 2 1364 139 139 LYS HD2 H 1.684 0.03 2 1365 139 139 LYS HD3 H 1.684 0.03 2 1366 139 139 LYS HE2 H 3.058 0.03 2 1367 139 139 LYS HE3 H 3.058 0.03 2 1368 139 139 LYS HG2 H 1.117 0.03 2 1369 139 139 LYS HG3 H 1.236 0.03 2 1370 139 139 LYS C C 176.580 0.3 1 1371 139 139 LYS CA C 56.414 0.3 1 1372 139 139 LYS CB C 32.900 0.3 1 1373 139 139 LYS CD C 29.345 0.3 1 1374 139 139 LYS CE C 42.196 0.3 1 1375 139 139 LYS CG C 25.244 0.3 1 1376 139 139 LYS N N 123.632 0.3 1 1377 140 140 VAL H H 9.055 0.03 1 1378 140 140 VAL HA H 4.332 0.03 1 1379 140 140 VAL HB H 2.416 0.03 1 1380 140 140 VAL HG1 H 0.941 0.03 2 1381 140 140 VAL HG2 H 1.041 0.03 2 1382 140 140 VAL C C 177.300 0.3 1 1383 140 140 VAL CA C 63.797 0.3 1 1384 140 140 VAL CB C 31.259 0.3 1 1385 140 140 VAL CG1 C 20.596 0.3 1 1386 140 140 VAL CG2 C 21.963 0.3 1 1387 140 140 VAL N N 125.695 0.3 1 1388 141 141 VAL H H 9.349 0.03 1 1389 141 141 VAL HA H 4.701 0.03 1 1390 141 141 VAL HB H 2.415 0.03 1 1391 141 141 VAL HG1 H 0.904 0.03 2 1392 141 141 VAL HG2 H 1.040 0.03 2 1393 141 141 VAL C C 175.370 0.3 1 1394 141 141 VAL CA C 61.609 0.3 1 1395 141 141 VAL CB C 32.626 0.3 1 1396 141 141 VAL CG1 C 19.776 0.3 1 1397 141 141 VAL CG2 C 21.416 0.3 1 1398 141 141 VAL N N 123.890 0.3 1 1399 142 142 TYR H H 7.940 0.03 1 1400 142 142 TYR HA H 4.399 0.03 1 1401 142 142 TYR HB2 H 2.536 0.03 2 1402 142 142 TYR HB3 H 3.047 0.03 2 1403 142 142 TYR HD1 H 7.106 0.03 3 1404 142 142 TYR C C 172.150 0.3 1 1405 142 142 TYR CA C 58.602 0.3 1 1406 142 142 TYR CB C 41.649 0.3 1 1407 142 142 TYR N N 122.472 0.3 1 1408 143 143 ALA H H 7.565 0.03 1 1409 143 143 ALA HA H 4.821 0.03 1 1410 143 143 ALA HB H 1.304 0.03 1 1411 143 143 ALA C C 175.260 0.3 1 1412 143 143 ALA CA C 51.500 0.3 1 1413 143 143 ALA CB C 23.057 0.3 1 1414 143 143 ALA N N 129.691 0.3 1 1415 144 144 GLU H H 8.439 0.03 1 1416 144 144 GLU HA H 4.295 0.03 1 1417 144 144 GLU HB2 H 1.662 0.03 2 1418 144 144 GLU HB3 H 1.662 0.03 2 1419 144 144 GLU HG2 H 2.276 0.03 2 1420 144 144 GLU HG3 H 2.276 0.03 2 1421 144 144 GLU C C 174.020 0.3 1 1422 144 144 GLU CA C 55.867 0.3 1 1423 144 144 GLU CB C 32.290 0.3 1 1424 144 144 GLU CG C 36.710 0.3 1 1425 144 144 GLU N N 122.859 0.3 1 1426 145 145 TYR H H 8.949 0.03 1 1427 145 145 TYR HA H 4.152 0.03 1 1428 145 145 TYR HB2 H 2.352 0.03 2 1429 145 145 TYR HB3 H 2.983 0.03 2 1430 145 145 TYR HD1 H 6.910 0.03 3 1431 145 145 TYR HE2 H 7.183 0.03 3 1432 145 145 TYR C C 175.380 0.3 1 1433 145 145 TYR CA C 56.961 0.3 1 1434 145 145 TYR CB C 37.821 0.3 1 1435 145 145 TYR N N 128.531 0.3 1 1436 146 146 VAL H H 7.599 0.03 1 1437 146 146 VAL HA H 3.636 0.03 1 1438 146 146 VAL HB H 1.853 0.03 1 1439 146 146 VAL HG1 H 0.900 0.03 2 1440 146 146 VAL HG2 H 0.571 0.03 2 1441 146 146 VAL C C 177.450 0.3 1 1442 146 146 VAL CA C 64.890 0.3 1 1443 146 146 VAL CB C 30.439 0.3 1 1444 146 146 VAL CG1 C 21.416 0.3 1 1445 146 146 VAL CG2 C 21.689 0.3 1 1446 146 146 VAL N N 125.308 0.3 1 1447 147 147 SER H H 8.236 0.03 1 1448 147 147 SER HA H 4.042 0.03 1 1449 147 147 SER HB2 H 4.130 0.03 2 1450 147 147 SER HB3 H 4.130 0.03 2 1451 147 147 SER C C 172.470 0.3 1 1452 147 147 SER CA C 63.250 0.3 1 1453 147 147 SER CB C 62.976 0.3 1 1454 147 147 SER N N 121.827 0.3 1 1455 148 148 GLU H H 7.249 0.03 1 1456 148 148 GLU HA H 5.146 0.03 1 1457 148 148 GLU HB2 H 1.966 0.03 2 1458 148 148 GLU HB3 H 1.966 0.03 2 1459 148 148 GLU HG2 H 2.357 0.03 2 1460 148 148 GLU HG3 H 2.357 0.03 2 1461 148 148 GLU C C 175.810 0.3 1 1462 148 148 GLU CA C 52.586 0.3 1 1463 148 148 GLU CB C 29.619 0.3 1 1464 148 148 GLU CG C 37.001 0.3 1 1465 148 148 GLU N N 120.152 0.3 1 1466 149 149 ALA H H 8.879 0.03 1 1467 149 149 ALA HA H 4.317 0.03 1 1468 149 149 ALA HB H 1.471 0.03 1 1469 149 149 ALA C C 178.110 0.3 1 1470 149 149 ALA CA C 55.070 0.3 1 1471 149 149 ALA CB C 19.776 0.3 1 1472 149 149 ALA N N 127.370 0.3 1 1473 150 150 THR H H 8.643 0.03 1 1474 150 150 THR HA H 4.240 0.03 1 1475 150 150 THR HB H 4.504 0.03 1 1476 150 150 THR HG2 H 1.041 0.03 1 1477 150 150 THR C C 173.360 0.3 1 1478 150 150 THR CA C 62.976 0.3 1 1479 150 150 THR CB C 69.265 0.3 1 1480 150 150 THR CG2 C 21.963 0.3 1 1481 150 150 THR N N 106.745 0.3 1 1482 151 151 ASN H H 8.020 0.03 1 1483 151 151 ASN HA H 4.996 0.03 1 1484 151 151 ASN HB2 H 2.931 0.03 2 1485 151 151 ASN HB3 H 2.998 0.03 2 1486 151 151 ASN HD21 H 7.839 0.03 2 1487 151 151 ASN HD22 H 6.957 0.03 2 1488 151 151 ASN C C 173.840 0.3 1 1489 151 151 ASN CA C 51.493 0.3 1 1490 151 151 ASN CB C 39.189 0.3 1 1491 151 151 ASN N N 121.054 0.3 1 1492 151 151 ASN ND2 N 111.515 0.3 1 1493 152 152 HIS H H 8.041 0.03 1 1494 152 152 HIS HA H 4.731 0.03 1 1495 152 152 HIS HB2 H 2.900 0.03 2 1496 152 152 HIS HB3 H 3.265 0.03 2 1497 152 152 HIS C C 177.560 0.3 1 1498 152 152 HIS CA C 56.380 0.3 1 1499 152 152 HIS CB C 31.533 0.3 1 1500 152 152 HIS N N 113.964 0.3 1 1501 153 153 PRO HA H 4.424 0.03 1 1502 153 153 PRO HB2 H 1.544 0.03 2 1503 153 153 PRO HB3 H 1.599 0.03 2 1504 153 153 PRO C C 173.950 0.3 1 1505 153 153 PRO CA C 61.609 0.3 1 1506 153 153 PRO CB C 32.353 0.3 1 1507 153 153 PRO CG C 25.087 0.3 1 1508 154 154 ASN H H 9.610 0.03 1 1509 154 154 ASN HA H 4.425 0.03 1 1510 154 154 ASN HB2 H 2.634 0.03 2 1511 154 154 ASN HB3 H 2.777 0.03 2 1512 154 154 ASN HD21 H 7.829 0.03 2 1513 154 154 ASN HD22 H 7.357 0.03 2 1514 154 154 ASN C C 176.380 0.3 1 1515 154 154 ASN CA C 54.229 0.3 1 1516 154 154 ASN CB C 39.189 0.3 1 1517 154 154 ASN N N 118.862 0.3 1 1518 154 154 ASN ND2 N 114.093 0.3 1 1519 155 155 TYR H H 8.603 0.03 1 1520 155 155 TYR HA H 4.226 0.03 1 1521 155 155 TYR HB2 H 2.521 0.03 2 1522 155 155 TYR HB3 H 2.678 0.03 2 1523 155 155 TYR HD1 H 6.540 0.03 3 1524 155 155 TYR HE1 H 7.216 0.03 3 1525 155 155 TYR C C 176.300 0.3 1 1526 155 155 TYR CA C 61.062 0.3 1 1527 155 155 TYR CB C 39.735 0.3 1 1528 155 155 TYR N N 124.663 0.3 1 1529 156 156 GLU H H 7.871 0.03 1 1530 156 156 GLU HA H 4.076 0.03 1 1531 156 156 GLU HB2 H 1.805 0.03 2 1532 156 156 GLU HB3 H 2.112 0.03 2 1533 156 156 GLU HG2 H 2.280 0.03 2 1534 156 156 GLU HG3 H 2.335 0.03 2 1535 156 156 GLU C C 178.660 0.3 1 1536 156 156 GLU CA C 59.695 0.3 1 1537 156 156 GLU CB C 30.166 0.3 1 1538 156 156 GLU CG C 36.728 0.3 1 1539 156 156 GLU N N 118.089 0.3 1 1540 157 157 LYS H H 8.777 0.03 1 1541 157 157 LYS HA H 4.072 0.03 1 1542 157 157 LYS HB2 H 2.057 0.03 2 1543 157 157 LYS HB3 H 2.057 0.03 2 1544 157 157 LYS HE2 H 3.145 0.03 2 1545 157 157 LYS HE3 H 3.342 0.03 2 1546 157 157 LYS HG2 H 1.517 0.03 2 1547 157 157 LYS HG3 H 1.688 0.03 2 1548 157 157 LYS C C 176.690 0.3 1 1549 157 157 LYS CA C 60.789 0.3 1 1550 157 157 LYS CB C 29.990 0.3 1 1551 157 157 LYS CE C 43.563 0.3 1 1552 157 157 LYS CG C 26.064 0.3 1 1553 157 157 LYS N N 119.120 0.3 1 1554 158 158 PRO HA H 3.218 0.03 1 1555 158 158 PRO HB2 H 1.318 0.03 2 1556 158 158 PRO HB3 H 1.672 0.03 2 1557 158 158 PRO HD2 H 2.956 0.03 2 1558 158 158 PRO HD3 H 3.749 0.03 2 1559 158 158 PRO HG2 H 2.220 0.03 2 1560 158 158 PRO HG3 H 2.220 0.03 2 1561 158 158 PRO C C 177.380 0.3 1 1562 158 158 PRO CA C 65.164 0.3 1 1563 158 158 PRO CB C 30.166 0.3 1 1564 158 158 PRO CD C 49.579 0.3 1 1565 158 158 PRO CG C 27.431 0.3 1 1566 159 159 ILE H H 6.275 0.03 1 1567 159 159 ILE HA H 3.676 0.03 1 1568 159 159 ILE HB H 2.160 0.03 1 1569 159 159 ILE HD1 H 0.824 0.03 1 1570 159 159 ILE HG12 H 1.520 0.03 1 1571 159 159 ILE HG13 H 1.809 0.03 1 1572 159 159 ILE HG2 H 0.981 0.03 1 1573 159 159 ILE C C 177.570 0.3 1 1574 159 159 ILE CA C 63.250 0.3 1 1575 159 159 ILE CB C 35.907 0.3 1 1576 159 159 ILE CD1 C 10.753 0.3 1 1577 159 159 ILE CG1 C 28.525 0.3 1 1578 159 159 ILE CG2 C 18.135 0.3 1 1579 159 159 ILE N N 116.800 0.3 1 1580 160 160 GLU H H 8.023 0.03 1 1581 160 160 GLU HA H 3.908 0.03 1 1582 160 160 GLU HB2 H 2.055 0.03 2 1583 160 160 GLU HB3 H 2.055 0.03 2 1584 160 160 GLU HG2 H 2.260 0.03 2 1585 160 160 GLU HG3 H 2.377 0.03 2 1586 160 160 GLU C C 179.420 0.3 1 1587 160 160 GLU CA C 59.422 0.3 1 1588 160 160 GLU CB C 29.619 0.3 1 1589 160 160 GLU CG C 36.181 0.3 1 1590 160 160 GLU N N 119.636 0.3 1 1591 161 161 ALA H H 7.954 0.03 1 1592 161 161 ALA HA H 4.127 0.03 1 1593 161 161 ALA HB H 1.351 0.03 1 1594 161 161 ALA C C 179.450 0.3 1 1595 161 161 ALA CA C 54.500 0.3 1 1596 161 161 ALA CB C 17.588 0.3 1 1597 161 161 ALA N N 120.796 0.3 1 1598 162 162 ALA H H 7.786 0.03 1 1599 162 162 ALA HA H 3.963 0.03 1 1600 162 162 ALA HB H 1.409 0.03 1 1601 162 162 ALA C C 179.530 0.3 1 1602 162 162 ALA CA C 54.774 0.3 1 1603 162 162 ALA CB C 18.408 0.3 1 1604 162 162 ALA N N 118.347 0.3 1 1605 163 163 LYS H H 8.560 0.03 1 1606 163 163 LYS HA H 3.881 0.03 1 1607 163 163 LYS HB2 H 1.867 0.03 2 1608 163 163 LYS HB3 H 1.867 0.03 2 1609 163 163 LYS HD2 H 1.674 0.03 2 1610 163 163 LYS HD3 H 1.674 0.03 2 1611 163 163 LYS HE2 H 2.933 0.03 2 1612 163 163 LYS HE3 H 2.933 0.03 2 1613 163 163 LYS HG2 H 1.442 0.03 2 1614 163 163 LYS HG3 H 1.679 0.03 2 1615 163 163 LYS C C 178.870 0.3 1 1616 163 163 LYS CA C 59.695 0.3 1 1617 163 163 LYS CB C 32.626 0.3 1 1618 163 163 LYS CD C 29.345 0.3 1 1619 163 163 LYS CE C 41.923 0.3 1 1620 163 163 LYS CG C 26.064 0.3 1 1621 163 163 LYS N N 116.542 0.3 1 1622 164 164 ALA H H 7.570 0.03 1 1623 164 164 ALA HA H 4.222 0.03 1 1624 164 164 ALA HB H 1.559 0.03 1 1625 164 164 ALA C C 178.720 0.3 1 1626 164 164 ALA CA C 53.953 0.3 1 1627 164 164 ALA CB C 18.408 0.3 1 1628 164 164 ALA N N 118.476 0.3 1 1629 165 165 LEU H H 7.395 0.03 1 1630 165 165 LEU HA H 4.420 0.03 1 1631 165 165 LEU HB2 H 1.783 0.03 2 1632 165 165 LEU HB3 H 2.112 0.03 2 1633 165 165 LEU HD1 H 1.047 0.03 2 1634 165 165 LEU HD2 H 1.069 0.03 2 1635 165 165 LEU HG H 2.014 0.03 1 1636 165 165 LEU C C 177.670 0.3 1 1637 165 165 LEU CA C 55.321 0.3 1 1638 165 165 LEU CB C 43.837 0.3 1 1639 165 165 LEU CD1 C 27.158 0.3 1 1640 165 165 LEU CD2 C 23.057 0.3 1 1641 165 165 LEU CG C 26.611 0.3 1 1642 165 165 LEU N N 116.155 0.3 1 1643 166 166 VAL H H 7.340 0.03 1 1644 166 166 VAL HA H 4.197 0.03 1 1645 166 166 VAL HB H 2.262 0.03 1 1646 166 166 VAL HG1 H 1.046 0.03 2 1647 166 166 VAL HG2 H 1.046 0.03 2 1648 166 166 VAL C C 175.150 0.3 1 1649 166 166 VAL CA C 62.703 0.3 1 1650 166 166 VAL CB C 32.353 0.3 1 1651 166 166 VAL CG1 C 20.869 0.3 1 1652 166 166 VAL CG2 C 20.869 0.3 1 1653 166 166 VAL N N 118.218 0.3 1 1654 167 167 LYS H H 7.905 0.03 1 1655 167 167 LYS HA H 4.226 0.03 1 1656 167 167 LYS HB2 H 1.813 0.03 2 1657 167 167 LYS HB3 H 1.897 0.03 2 1658 167 167 LYS HD2 H 1.747 0.03 2 1659 167 167 LYS HD3 H 1.747 0.03 2 1660 167 167 LYS HE2 H 3.087 0.03 2 1661 167 167 LYS HG2 H 1.487 0.03 2 1662 167 167 LYS HG3 H 1.487 0.03 2 1663 167 167 LYS C C 181.500 0.3 1 1664 167 167 LYS CA C 57.781 0.3 1 1665 167 167 LYS CB C 33.720 0.3 1 1666 167 167 LYS CD C 28.798 0.3 1 1667 167 167 LYS CE C 42.345 0.3 1 1668 167 167 LYS CG C 24.697 0.3 1 1669 167 167 LYS N N 130.078 0.3 1 stop_ save_