data_7109 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; 1H, 13C and 15N chemical shift assignments for TrxA (oxidized form) from Bacillus subtilis ; _BMRB_accession_number 7109 _BMRB_flat_file_name bmr7109.str _Entry_type original _Submission_date 2006-05-12 _Accession_date 2006-05-12 _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 Xu Huimin . . 2 Jin Changwen . . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 560 "13C chemical shifts" 420 "15N chemical shifts" 105 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2008-06-23 original author . stop_ _Original_release_date 2008-06-23 save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full . _Citation_title 'Conformational fluctuations coupled to the thiol-disulfide transfer between thioredoxin and arsenate reductase in Bacillus subtilis' _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 17303556 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Li Y. . . 2 Hu Y. . . 3 Zhang X. . . 4 Xu H. . . 5 Lescop E. . . 6 Xia B. . . 7 Jin C. . . stop_ _Journal_abbreviation 'J. Biol. Chem.' _Journal_volume 282 _Journal_issue 15 _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 11078 _Page_last 11083 _Year 2007 _Details . save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name 'TrxA monomer' _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label 'TrxA monomer' $TrxA_monomer stop_ _System_molecular_weight . _System_physical_state native _System_oligomer_state ? _System_paramagnetic no _System_thiol_state 'all disulfide bound' _Database_query_date . _Details . save_ ######################## # Monomeric polymers # ######################## save_TrxA_monomer _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common TrxA _Molecular_mass . _Mol_thiol_state 'all disulfide bound' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 104 _Mol_residue_sequence ; MAIVKATDQSFSAETSEGVV LADFWAPWCGPCKMIAPVLE ELDQEMGDKLKIVKIDVDEN QETAGKYGVMSIPTLLVLKD GEVVETSVGFKPKEALQELV NKHL ; loop_ _Residue_seq_code _Residue_author_seq_code _Residue_label 1 1 MET 2 2 ALA 3 3 ILE 4 4 VAL 5 5 LYS 6 6 ALA 7 7 THR 8 8 ASP 9 9 GLN 10 10 SER 11 11 PHE 12 12 SER 13 13 ALA 14 14 GLU 15 15 THR 16 16 SER 17 17 GLU 18 18 GLY 19 19 VAL 20 20 VAL 21 21 LEU 22 22 ALA 23 23 ASP 24 24 PHE 25 25 TRP 26 26 ALA 27 27 PRO 28 28 TRP 29 29 CYS 30 30 GLY 31 31 PRO 32 32 CYS 33 33 LYS 34 34 MET 35 35 ILE 36 36 ALA 37 37 PRO 38 38 VAL 39 39 LEU 40 40 GLU 41 41 GLU 42 42 LEU 43 43 ASP 44 44 GLN 45 45 GLU 46 46 MET 47 47 GLY 48 48 ASP 49 49 LYS 50 50 LEU 51 51 LYS 52 52 ILE 53 53 VAL 54 54 LYS 55 55 ILE 56 56 ASP 57 57 VAL 58 58 ASP 59 59 GLU 60 60 ASN 61 61 GLN 62 62 GLU 63 63 THR 64 64 ALA 65 65 GLY 66 66 LYS 67 67 TYR 68 68 GLY 69 69 VAL 70 70 MET 71 71 SER 72 72 ILE 73 73 PRO 74 74 THR 75 75 LEU 76 76 LEU 77 77 VAL 78 78 LEU 79 79 LYS 80 80 ASP 81 81 GLY 82 82 GLU 83 83 VAL 84 84 VAL 85 85 GLU 86 86 THR 87 87 SER 88 88 VAL 89 89 GLY 90 90 PHE 91 91 LYS 92 92 PRO 93 93 LYS 94 94 GLU 95 95 ALA 96 96 LEU 97 97 GLN 98 98 GLU 99 99 LEU 100 100 VAL 101 101 ASN 102 102 LYS 103 103 HIS 104 104 LEU stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date 2015-01-28 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 15028 thioredoxin 100.00 104 99.04 99.04 1.35e-66 BMRB 7108 TrxA_monomer 100.00 104 100.00 100.00 8.26e-68 PDB 2GZY "Solution Structures Of The Reduced Form Of Thioredoxin From Bacillus Subtilis" 100.00 104 100.00 100.00 8.26e-68 PDB 2GZZ "Solution Structures Of The Oxidized Form Of Thioredoxin From Bacillus Subtilis" 100.00 104 100.00 100.00 8.26e-68 PDB 2IPA "Solution Structure Of Trx-Arsc Complex" 100.00 104 99.04 99.04 1.35e-66 PDB 2VOC "Thioredoxin A Active Site Mutants Form Mixed Disulfide Dimers That Resemble Enzyme-substrate Reaction Intermediate" 100.00 112 99.04 99.04 5.62e-67 DBJ BAI86356 "thioredoxin [Bacillus subtilis subsp. natto BEST195]" 100.00 104 100.00 100.00 8.26e-68 DBJ BAM54098 "thioredoxin [Bacillus subtilis BEST7613]" 100.00 104 100.00 100.00 8.26e-68 DBJ BAM58927 "thioredoxin [Bacillus subtilis BEST7003]" 100.00 104 100.00 100.00 8.26e-68 DBJ GAK79977 "thioredoxin [Bacillus subtilis Miyagi-4]" 100.00 104 100.00 100.00 8.26e-68 EMBL CAA99577 "thioredoxin [Bacillus subtilis]" 100.00 104 100.00 100.00 8.26e-68 EMBL CAB14810 "thioredoxin [Bacillus subtilis subsp. subtilis str. 168]" 100.00 104 100.00 100.00 8.26e-68 EMBL CBI43781 "thioredoxin [Bacillus amyloliquefaciens DSM 7]" 100.00 104 99.04 100.00 3.49e-67 EMBL CCF06106 "thioredoxin [Bacillus amyloliquefaciens subsp. plantarum CAU B946]" 100.00 104 99.04 100.00 3.49e-67 EMBL CCG50792 "thioredoxin [Bacillus amyloliquefaciens subsp. plantarum YAU B9601-Y2]" 100.00 104 99.04 100.00 3.49e-67 GB AAA87315 "thioredoxin [Bacillus subtilis subsp. subtilis str. 168]" 100.00 104 100.00 100.00 8.26e-68 GB AAU24505 "thioredoxin [Bacillus licheniformis DSM 13 = ATCC 14580]" 100.00 104 97.12 100.00 2.68e-66 GB AAU41865 "thioredoxin TrxA [Bacillus licheniformis DSM 13 = ATCC 14580]" 100.00 104 97.12 100.00 2.68e-66 GB ABS74914 "TrxA [Bacillus amyloliquefaciens subsp. plantarum str. FZB42]" 100.00 104 99.04 100.00 3.49e-67 GB ADM38802 "thioredoxin [Bacillus subtilis subsp. spizizenii str. W23]" 100.00 104 100.00 100.00 8.26e-68 REF NP_390728 "thioredoxin [Bacillus subtilis subsp. subtilis str. 168]" 100.00 104 100.00 100.00 8.26e-68 REF WP_003152560 "MULTISPECIES: thioredoxin [Bacillales]" 100.00 104 99.04 100.00 3.49e-67 REF WP_003184189 "MULTISPECIES: thioredoxin [Bacillus]" 100.00 104 97.12 100.00 2.68e-66 REF WP_003222500 "MULTISPECIES: thioredoxin [Bacillales]" 100.00 104 100.00 100.00 8.26e-68 REF WP_003325184 "MULTISPECIES: thioredoxin [Bacillus subtilis group]" 100.00 104 98.08 100.00 5.51e-67 SP P14949 "RecName: Full=Thioredoxin; Short=Trx [Bacillus subtilis subsp. subtilis str. 168]" 100.00 104 100.00 100.00 8.26e-68 stop_ save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species $TrxA_monomer 'Bacillus subtilis' 1423 Eubacteria . 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 $TrxA_monomer 'recombinant technology' . . . . . 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 $TrxA_monomer 1.00 mM '[U-95% 13C; U-95% 15N]' stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_600MHz_spectrometer _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model Avance _Field_strength 600 _Details . save_ save_800MHz_spectrometer _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model Avance _Field_strength 800 _Details . save_ ############################# # NMR applied experiments # ############################# save_3D_HNCACB_1 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCACB' _Sample_label $sample_1 save_ save_3D_CBCA(CO)NH_2 _Saveframe_category NMR_applied_experiment _Experiment_name '3D CBCA(CO)NH' _Sample_label $sample_1 save_ save_3D_HCCH-COSY_3 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HCCH-COSY' _Sample_label $sample_1 save_ ####################### # Sample conditions # ####################### save_conditions_1 _Saveframe_category sample_conditions _Details . loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units 'ionic strength' 0.06 . M pH 6.85 0.1 pH pressure 1 . atm temperature 298 0.5 K stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_referencing _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 _Indirect_shift_ratio_citation_label _Correction_value_citation_label DSS C 13 'methyl protons' ppm 0.0 . indirect . . . 0.251449530 $entry_citation $entry_citation DSS H 1 'methyl protons' ppm 0.0 internal direct . . . 1.0 $entry_citation $entry_citation DSS N 15 'methyl protons' ppm 0.0 . indirect . . . 0.101329118 $entry_citation $entry_citation 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_chem_shift_list_1 _Saveframe_category assigned_chemical_shifts _Details . loop_ _Sample_label $sample_1 stop_ _Sample_conditions_label $conditions_1 _Chem_shift_reference_set_label $chemical_shift_referencing _Mol_system_component_name 'TrxA 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 4.154 0.02 1 2 2 2 ALA HB H 1.448 0.02 1 3 2 2 ALA C C 173.432 0.30 1 4 2 2 ALA CA C 51.628 0.30 1 5 2 2 ALA CB C 19.714 0.30 1 6 3 3 ILE H H 8.634 0.02 1 7 3 3 ILE HA H 4.565 0.02 1 8 3 3 ILE HB H 1.621 0.02 1 9 3 3 ILE HG12 H 0.771 0.02 1 10 3 3 ILE HG13 H 1.562 0.02 1 11 3 3 ILE HG2 H 0.628 0.02 1 12 3 3 ILE HD1 H 0.707 0.02 1 13 3 3 ILE C C 176.149 0.30 1 14 3 3 ILE CA C 61.456 0.30 1 15 3 3 ILE CB C 38.165 0.30 1 16 3 3 ILE CG1 C 28.145 0.30 2 17 3 3 ILE CG2 C 17.177 0.30 1 18 3 3 ILE CD1 C 13.484 0.30 1 19 3 3 ILE N N 122.937 0.30 1 20 4 4 VAL H H 8.941 0.02 1 21 4 4 VAL HA H 4.332 0.02 1 22 4 4 VAL HB H 1.996 0.02 1 23 4 4 VAL HG1 H 0.843 0.02 2 24 4 4 VAL HG2 H 0.891 0.02 2 25 4 4 VAL C C 174.405 0.30 1 26 4 4 VAL CA C 60.930 0.30 1 27 4 4 VAL CB C 35.320 0.30 1 28 4 4 VAL CG1 C 20.676 0.30 1 29 4 4 VAL CG2 C 20.676 0.30 1 30 4 4 VAL N N 128.424 0.30 1 31 5 5 LYS H H 8.584 0.02 1 32 5 5 LYS HA H 4.828 0.02 1 33 5 5 LYS HB2 H 1.818 0.02 2 34 5 5 LYS HG2 H 1.274 0.02 2 35 5 5 LYS HG3 H 1.574 0.02 2 36 5 5 LYS HD2 H 1.752 0.02 2 37 5 5 LYS HE2 H 2.988 0.02 2 38 5 5 LYS HE3 H 3.066 0.02 2 39 5 5 LYS C C 175.670 0.30 1 40 5 5 LYS CA C 55.996 0.30 1 41 5 5 LYS CB C 33.298 0.30 1 42 5 5 LYS CG C 25.295 0.30 1 43 5 5 LYS CD C 29.792 0.30 1 44 5 5 LYS CE C 42.281 0.30 1 45 5 5 LYS N N 126.221 0.30 1 46 6 6 ALA H H 8.857 0.02 1 47 6 6 ALA HA H 4.756 0.02 1 48 6 6 ALA HB H 1.237 0.02 1 49 6 6 ALA C C 174.350 0.30 1 50 6 6 ALA CA C 50.174 0.30 1 51 6 6 ALA CB C 23.325 0.30 1 52 6 6 ALA N N 127.167 0.30 1 53 7 7 THR H H 7.997 0.02 1 54 7 7 THR HA H 4.712 0.02 1 55 7 7 THR HB H 4.796 0.02 1 56 7 7 THR HG2 H 1.250 0.02 1 57 7 7 THR C C 175.722 0.30 1 58 7 7 THR CA C 59.124 0.30 1 59 7 7 THR CB C 73.695 0.30 1 60 7 7 THR CG2 C 21.534 0.30 1 61 7 7 THR N N 108.168 0.30 1 62 8 8 ASP H H 8.860 0.02 1 63 8 8 ASP HA H 4.453 0.02 1 64 8 8 ASP HB2 H 2.771 0.02 2 65 8 8 ASP C C 178.361 0.30 1 66 8 8 ASP CA C 57.762 0.30 1 67 8 8 ASP CB C 41.400 0.30 1 68 8 8 ASP N N 120.132 0.30 1 69 9 9 GLN H H 8.084 0.02 1 70 9 9 GLN HA H 4.269 0.02 1 71 9 9 GLN HB2 H 2.091 0.02 2 72 9 9 GLN HG2 H 2.488 0.02 2 73 9 9 GLN HG3 H 2.574 0.02 2 74 9 9 GLN HE21 H 7.654 0.02 2 75 9 9 GLN HE22 H 6.969 0.02 2 76 9 9 GLN C C 177.294 0.30 1 77 9 9 GLN CA C 58.464 0.30 1 78 9 9 GLN CB C 28.811 0.30 1 79 9 9 GLN CG C 34.422 0.30 1 80 9 9 GLN N N 115.921 0.30 1 81 9 9 GLN NE2 N 112.812 0.30 1 82 10 10 SER H H 7.836 0.02 1 83 10 10 SER HA H 4.819 0.02 1 84 10 10 SER HB2 H 3.760 0.02 2 85 10 10 SER HB3 H 4.389 0.02 2 86 10 10 SER C C 175.521 0.30 1 87 10 10 SER CA C 58.411 0.30 1 88 10 10 SER CB C 66.065 0.30 1 89 10 10 SER N N 114.056 0.30 1 90 11 11 PHE H H 8.567 0.02 1 91 11 11 PHE HA H 3.637 0.02 1 92 11 11 PHE HB2 H 3.058 0.02 2 93 11 11 PHE HB3 H 3.156 0.02 2 94 11 11 PHE HD1 H 6.861 0.02 3 95 11 11 PHE C C 178.386 0.30 1 96 11 11 PHE CA C 64.528 0.30 1 97 11 11 PHE CB C 39.135 0.30 1 98 11 11 PHE N N 124.006 0.30 1 99 12 12 SER H H 9.391 0.02 1 100 12 12 SER HA H 3.986 0.02 1 101 12 12 SER HB2 H 3.876 0.02 2 102 12 12 SER C C 176.383 0.30 1 103 12 12 SER CA C 62.304 0.30 1 104 12 12 SER N N 115.900 0.30 1 105 13 13 ALA H H 8.229 0.02 1 106 13 13 ALA HA H 4.150 0.02 1 107 13 13 ALA HB H 1.471 0.02 1 108 13 13 ALA C C 181.233 0.30 1 109 13 13 ALA CA C 54.911 0.30 1 110 13 13 ALA CB C 18.223 0.30 1 111 13 13 ALA N N 124.338 0.30 1 112 14 14 GLU H H 8.247 0.02 1 113 14 14 GLU HA H 4.250 0.02 1 114 14 14 GLU HB2 H 1.846 0.02 2 115 14 14 GLU HB3 H 1.691 0.02 2 116 14 14 GLU HG2 H 2.096 0.02 2 117 14 14 GLU HG3 H 2.471 0.02 2 118 14 14 GLU C C 178.505 0.30 1 119 14 14 GLU CA C 57.162 0.30 1 120 14 14 GLU CB C 30.543 0.30 1 121 14 14 GLU CG C 34.929 0.30 1 122 14 14 GLU N N 114.328 0.30 1 123 15 15 THR H H 7.351 0.02 1 124 15 15 THR HA H 4.314 0.02 1 125 15 15 THR HB H 4.120 0.02 1 126 15 15 THR HG2 H 0.160 0.02 1 127 15 15 THR C C 174.748 0.30 1 128 15 15 THR CA C 61.301 0.30 1 129 15 15 THR CB C 69.657 0.30 1 130 15 15 THR CG2 C 19.502 0.30 1 131 15 15 THR N N 104.191 0.30 1 132 16 16 SER H H 7.151 0.02 1 133 16 16 SER HA H 4.050 0.02 1 134 16 16 SER HB2 H 3.941 0.02 2 135 16 16 SER HB3 H 4.044 0.02 2 136 16 16 SER C C 173.173 0.30 1 137 16 16 SER CA C 61.447 0.30 1 138 16 16 SER CB C 64.104 0.30 1 139 16 16 SER N N 115.770 0.30 1 140 17 17 GLU H H 7.612 0.02 1 141 17 17 GLU HA H 4.781 0.02 1 142 17 17 GLU HB2 H 1.922 0.02 2 143 17 17 GLU HB3 H 1.771 0.02 2 144 17 17 GLU HG2 H 2.152 0.02 2 145 17 17 GLU C C 176.128 0.30 1 146 17 17 GLU CA C 54.911 0.30 1 147 17 17 GLU CB C 33.481 0.30 1 148 17 17 GLU CG C 36.130 0.30 1 149 17 17 GLU N N 117.786 0.30 1 150 18 18 GLY H H 8.765 0.02 1 151 18 18 GLY HA2 H 4.031 0.02 2 152 18 18 GLY HA3 H 3.919 0.02 2 153 18 18 GLY C C 173.693 0.30 1 154 18 18 GLY CA C 45.017 0.30 1 155 18 18 GLY N N 110.121 0.30 1 156 19 19 VAL H H 8.520 0.02 1 157 19 19 VAL HA H 5.019 0.02 1 158 19 19 VAL HB H 2.059 0.02 1 159 19 19 VAL HG1 H 1.030 0.02 2 160 19 19 VAL HG2 H 0.807 0.02 2 161 19 19 VAL C C 175.361 0.30 1 162 19 19 VAL CA C 62.554 0.30 1 163 19 19 VAL CB C 31.621 0.30 1 164 19 19 VAL CG1 C 22.527 0.30 1 165 19 19 VAL CG2 C 21.044 0.30 1 166 19 19 VAL N N 123.416 0.30 1 167 20 20 VAL H H 9.130 0.02 1 168 20 20 VAL HA H 5.123 0.02 1 169 20 20 VAL HB H 1.801 0.02 1 170 20 20 VAL HG1 H 0.788 0.02 2 171 20 20 VAL HG2 H 0.671 0.02 2 172 20 20 VAL C C 173.679 0.30 1 173 20 20 VAL CA C 59.439 0.30 1 174 20 20 VAL CB C 36.391 0.30 1 175 20 20 VAL CG1 C 22.288 0.30 1 176 20 20 VAL CG2 C 21.640 0.30 1 177 20 20 VAL N N 129.231 0.30 1 178 21 21 LEU H H 8.906 0.02 1 179 21 21 LEU HA H 5.324 0.02 1 180 21 21 LEU HB2 H 1.894 0.02 2 181 21 21 LEU HB3 H 1.168 0.02 2 182 21 21 LEU HG H 1.343 0.02 1 183 21 21 LEU HD1 H 0.751 0.02 2 184 21 21 LEU HD2 H 0.694 0.02 2 185 21 21 LEU C C 173.792 0.30 1 186 21 21 LEU CA C 52.728 0.30 1 187 21 21 LEU CB C 45.315 0.30 1 188 21 21 LEU CD1 C 24.533 0.30 1 189 21 21 LEU CD2 C 26.547 0.30 1 190 21 21 LEU N N 127.876 0.30 1 191 22 22 ALA H H 9.793 0.02 1 192 22 22 ALA HA H 5.335 0.02 1 193 22 22 ALA HB H 1.167 0.02 1 194 22 22 ALA C C 174.958 0.30 1 195 22 22 ALA CA C 49.705 0.30 1 196 22 22 ALA CB C 21.228 0.30 1 197 22 22 ALA N N 129.179 0.30 1 198 23 23 ASP H H 9.227 0.02 1 199 23 23 ASP HA H 5.162 0.02 1 200 23 23 ASP HB2 H 2.782 0.02 2 201 23 23 ASP HB3 H 2.123 0.02 2 202 23 23 ASP C C 173.898 0.30 1 203 23 23 ASP CA C 52.249 0.30 1 204 23 23 ASP CB C 40.239 0.30 1 205 23 23 ASP N N 121.245 0.30 1 206 24 24 PHE H H 9.099 0.02 1 207 24 24 PHE HA H 5.189 0.02 1 208 24 24 PHE HB2 H 3.425 0.02 2 209 24 24 PHE HB3 H 2.663 0.02 2 210 24 24 PHE HD1 H 7.186 0.02 3 211 24 24 PHE HE1 H 7.231 0.02 3 212 24 24 PHE C C 173.907 0.30 1 213 24 24 PHE CA C 57.667 0.30 1 214 24 24 PHE CB C 38.810 0.30 1 215 24 24 PHE N N 127.745 0.30 1 216 25 25 TRP H H 8.604 0.02 1 217 25 25 TRP HA H 5.073 0.02 1 218 25 25 TRP HB2 H 3.156 0.02 2 219 25 25 TRP HB3 H 2.890 0.02 2 220 25 25 TRP HD1 H 6.971 0.02 1 221 25 25 TRP HE1 H 10.387 0.02 3 222 25 25 TRP HE3 H 7.237 0.02 3 223 25 25 TRP HZ2 H 7.544 0.02 3 224 25 25 TRP HH2 H 7.210 0.02 1 225 25 25 TRP C C 171.268 0.30 1 226 25 25 TRP CA C 54.903 0.30 1 227 25 25 TRP CB C 33.014 0.30 1 228 25 25 TRP N N 121.871 0.30 1 229 25 25 TRP NE1 N 130.322 0.30 1 230 26 26 ALA H H 6.561 0.02 1 231 26 26 ALA HA H 3.519 0.02 1 232 26 26 ALA HB H 0.379 0.02 1 233 26 26 ALA CA C 51.089 0.30 1 234 26 26 ALA CB C 20.156 0.30 1 235 26 26 ALA N N 116.744 0.30 1 236 27 27 PRO HA H 4.403 0.02 1 237 27 27 PRO HB2 H 2.482 0.02 2 238 27 27 PRO HB3 H 2.047 0.02 2 239 27 27 PRO HG2 H 1.888 0.02 2 240 27 27 PRO HG3 H 2.084 0.02 2 241 27 27 PRO HD2 H 2.994 0.02 2 242 27 27 PRO HD3 H 3.395 0.02 2 243 27 27 PRO C C 175.659 0.30 1 244 27 27 PRO CA C 65.605 0.30 1 245 27 27 PRO CB C 32.219 0.30 1 246 27 27 PRO CG C 27.664 0.30 1 247 27 27 PRO CD C 51.479 0.30 1 248 28 28 TRP H H 6.320 0.02 1 249 28 28 TRP HA H 4.619 0.02 1 250 28 28 TRP HB2 H 3.666 0.02 2 251 28 28 TRP HB3 H 3.191 0.02 2 252 28 28 TRP HD1 H 7.392 0.02 1 253 28 28 TRP HE1 H 11.687 0.02 3 254 28 28 TRP C C 176.040 0.30 1 255 28 28 TRP CA C 54.085 0.30 1 256 28 28 TRP CB C 28.929 0.30 1 257 28 28 TRP N N 110.906 0.30 1 258 28 28 TRP NE1 N 136.525 0.30 1 259 29 29 CYS H H 6.914 0.02 1 260 29 29 CYS HA H 4.624 0.02 1 261 29 29 CYS HB2 H 3.075 0.02 2 262 29 29 CYS HB3 H 2.862 0.02 2 263 29 29 CYS C C 174.840 0.30 1 264 29 29 CYS CA C 54.144 0.30 1 265 29 29 CYS CB C 44.616 0.30 1 266 29 29 CYS N N 121.534 0.30 1 267 30 30 GLY H H 9.752 0.02 1 268 30 30 GLY HA2 H 4.066 0.02 2 269 30 30 GLY HA3 H 4.320 0.02 2 270 30 30 GLY CA C 48.871 0.30 1 271 30 30 GLY N N 122.035 0.30 1 272 31 31 PRO HA H 4.528 0.02 1 273 31 31 PRO HB2 H 2.638 0.02 2 274 31 31 PRO HB3 H 1.794 0.02 2 275 31 31 PRO HG2 H 2.175 0.02 2 276 31 31 PRO HG3 H 2.376 0.02 2 277 31 31 PRO HD2 H 3.891 0.02 2 278 31 31 PRO HD3 H 4.070 0.02 2 279 31 31 PRO C C 178.128 0.30 1 280 31 31 PRO CA C 65.033 0.30 1 281 31 31 PRO CB C 31.761 0.30 1 282 31 31 PRO CG C 28.284 0.30 1 283 31 31 PRO CD C 51.560 0.30 1 284 32 32 CYS H H 8.268 0.02 1 285 32 32 CYS HA H 4.512 0.02 1 286 32 32 CYS HB2 H 3.468 0.02 2 287 32 32 CYS HB3 H 4.274 0.02 2 288 32 32 CYS C C 176.573 0.30 1 289 32 32 CYS CA C 63.377 0.30 1 290 32 32 CYS CB C 35.208 0.30 1 291 32 32 CYS N N 111.822 0.30 1 292 33 33 LYS H H 8.012 0.02 1 293 33 33 LYS HA H 4.167 0.02 1 294 33 33 LYS HB2 H 2.121 0.02 2 295 33 33 LYS HB3 H 2.006 0.02 2 296 33 33 LYS HG2 H 1.582 0.02 2 297 33 33 LYS HG3 H 1.797 0.02 2 298 33 33 LYS HD2 H 1.844 0.02 2 299 33 33 LYS HE2 H 3.032 0.02 2 300 33 33 LYS HE3 H 3.081 0.02 2 301 33 33 LYS C C 179.252 0.30 1 302 33 33 LYS CA C 59.388 0.30 1 303 33 33 LYS CB C 31.929 0.30 1 304 33 33 LYS CG C 25.449 0.30 1 305 33 33 LYS CD C 29.418 0.30 1 306 33 33 LYS CE C 42.290 0.30 1 307 33 33 LYS N N 121.841 0.30 1 308 34 34 MET H H 7.529 0.02 1 309 34 34 MET HA H 4.272 0.02 1 310 34 34 MET HB2 H 2.055 0.02 2 311 34 34 MET HB3 H 1.901 0.02 2 312 34 34 MET HG2 H 2.407 0.02 2 313 34 34 MET HG3 H 2.503 0.02 2 314 34 34 MET HE H 1.705 0.02 1 315 34 34 MET C C 178.068 0.30 1 316 34 34 MET CA C 57.447 0.30 1 317 34 34 MET CB C 32.865 0.30 1 318 34 34 MET CG C 31.796 0.30 1 319 34 34 MET CE C 16.286 0.30 1 320 34 34 MET N N 116.594 0.30 1 321 35 35 ILE H H 7.658 0.02 1 322 35 35 ILE HA H 4.371 0.02 1 323 35 35 ILE HB H 2.062 0.02 1 324 35 35 ILE HG12 H 1.525 0.02 1 325 35 35 ILE HG13 H 1.697 0.02 1 326 35 35 ILE HG2 H 0.980 0.02 1 327 35 35 ILE HD1 H 0.902 0.02 1 328 35 35 ILE C C 176.457 0.30 1 329 35 35 ILE CA C 62.299 0.30 1 330 35 35 ILE CB C 39.572 0.30 1 331 35 35 ILE CG1 C 29.870 0.30 2 332 35 35 ILE CG2 C 16.538 0.30 1 333 35 35 ILE CD1 C 14.426 0.30 1 334 35 35 ILE N N 117.035 0.30 1 335 36 36 ALA H H 7.205 0.02 1 336 36 36 ALA HA H 3.932 0.02 1 337 36 36 ALA HB H 1.388 0.02 1 338 36 36 ALA CA C 57.765 0.30 1 339 36 36 ALA CB C 15.277 0.30 1 340 36 36 ALA N N 124.655 0.30 1 341 37 37 PRO HA H 4.385 0.02 1 342 37 37 PRO HB2 H 2.321 0.02 2 343 37 37 PRO HB3 H 1.974 0.02 2 344 37 37 PRO HG2 H 2.061 0.02 2 345 37 37 PRO HD2 H 3.629 0.02 2 346 37 37 PRO HD3 H 3.977 0.02 2 347 37 37 PRO C C 179.338 0.30 1 348 37 37 PRO CA C 65.452 0.30 1 349 37 37 PRO CB C 30.902 0.30 1 350 37 37 PRO CG C 27.884 0.30 1 351 37 37 PRO CD C 50.586 0.30 1 352 38 38 VAL H H 6.841 0.02 1 353 38 38 VAL HA H 3.810 0.02 1 354 38 38 VAL HB H 2.434 0.02 1 355 38 38 VAL HG1 H 0.864 0.02 2 356 38 38 VAL HG2 H 1.276 0.02 2 357 38 38 VAL C C 178.384 0.30 1 358 38 38 VAL CA C 65.681 0.30 1 359 38 38 VAL CB C 31.097 0.30 1 360 38 38 VAL CG1 C 21.498 0.30 1 361 38 38 VAL CG2 C 22.031 0.30 1 362 38 38 VAL N N 119.851 0.30 1 363 39 39 LEU H H 7.756 0.02 1 364 39 39 LEU HA H 3.856 0.02 1 365 39 39 LEU HB2 H 1.989 0.02 2 366 39 39 LEU HB3 H 1.262 0.02 2 367 39 39 LEU HG H 1.773 0.02 1 368 39 39 LEU HD1 H 0.635 0.02 2 369 39 39 LEU HD2 H 0.669 0.02 2 370 39 39 LEU C C 178.724 0.30 1 371 39 39 LEU CA C 57.679 0.30 1 372 39 39 LEU CB C 40.562 0.30 1 373 39 39 LEU CG C 26.181 0.30 1 374 39 39 LEU CD1 C 22.428 0.30 1 375 39 39 LEU CD2 C 26.193 0.30 1 376 39 39 LEU N N 117.608 0.30 1 377 40 40 GLU H H 7.353 0.02 1 378 40 40 GLU HA H 3.928 0.02 1 379 40 40 GLU HB2 H 2.089 0.02 2 380 40 40 GLU HG2 H 2.188 0.02 2 381 40 40 GLU HG3 H 2.300 0.02 2 382 40 40 GLU C C 179.236 0.30 1 383 40 40 GLU CA C 59.649 0.30 1 384 40 40 GLU CB C 28.785 0.30 1 385 40 40 GLU CG C 36.264 0.30 1 386 40 40 GLU N N 117.226 0.30 1 387 41 41 GLU H H 7.704 0.02 1 388 41 41 GLU HA H 4.047 0.02 1 389 41 41 GLU HB2 H 2.238 0.02 2 390 41 41 GLU HB3 H 2.006 0.02 2 391 41 41 GLU HG2 H 2.168 0.02 2 392 41 41 GLU HG3 H 2.547 0.02 2 393 41 41 GLU C C 179.348 0.30 1 394 41 41 GLU CA C 59.838 0.30 1 395 41 41 GLU CB C 29.876 0.30 1 396 41 41 GLU CG C 36.837 0.30 1 397 41 41 GLU N N 120.202 0.30 1 398 42 42 LEU H H 8.318 0.02 1 399 42 42 LEU HA H 3.908 0.02 1 400 42 42 LEU HB2 H 1.588 0.02 2 401 42 42 LEU HG H 1.611 0.02 1 402 42 42 LEU HD1 H 0.730 0.02 2 403 42 42 LEU HD2 H 0.687 0.02 2 404 42 42 LEU C C 178.497 0.30 1 405 42 42 LEU CA C 58.171 0.30 1 406 42 42 LEU CB C 42.338 0.30 1 407 42 42 LEU CG C 26.771 0.30 1 408 42 42 LEU CD1 C 25.037 0.30 1 409 42 42 LEU CD2 C 25.037 0.30 1 410 42 42 LEU N N 120.009 0.30 1 411 43 43 ASP H H 8.391 0.02 1 412 43 43 ASP HA H 4.248 0.02 1 413 43 43 ASP HB2 H 2.702 0.02 2 414 43 43 ASP HB3 H 2.627 0.02 2 415 43 43 ASP C C 178.634 0.30 1 416 43 43 ASP CA C 57.618 0.30 1 417 43 43 ASP CB C 42.671 0.30 1 418 43 43 ASP N N 118.966 0.30 1 419 44 44 GLN H H 7.717 0.02 1 420 44 44 GLN HA H 4.002 0.02 1 421 44 44 GLN HB2 H 2.261 0.02 2 422 44 44 GLN HB3 H 2.206 0.02 2 423 44 44 GLN HG2 H 2.490 0.02 2 424 44 44 GLN HG3 H 2.570 0.02 2 425 44 44 GLN HE21 H 7.531 0.02 2 426 44 44 GLN HE22 H 6.826 0.02 2 427 44 44 GLN C C 178.302 0.30 1 428 44 44 GLN CA C 58.709 0.30 1 429 44 44 GLN CB C 28.550 0.30 1 430 44 44 GLN CG C 34.058 0.30 1 431 44 44 GLN N N 117.190 0.30 1 432 44 44 GLN NE2 N 112.097 0.30 1 433 45 45 GLU H H 7.868 0.02 1 434 45 45 GLU HA H 4.196 0.02 1 435 45 45 GLU HB2 H 2.039 0.02 2 436 45 45 GLU HG2 H 2.248 0.02 2 437 45 45 GLU HG3 H 2.438 0.02 2 438 45 45 GLU C C 178.544 0.30 1 439 45 45 GLU CA C 58.442 0.30 1 440 45 45 GLU CB C 31.065 0.30 1 441 45 45 GLU CG C 36.249 0.30 1 442 45 45 GLU N N 117.059 0.30 1 443 46 46 MET H H 8.632 0.02 1 444 46 46 MET HA H 4.757 0.02 1 445 46 46 MET HB2 H 2.142 0.02 2 446 46 46 MET HB3 H 2.089 0.02 2 447 46 46 MET HG2 H 2.479 0.02 2 448 46 46 MET HG3 H 2.565 0.02 2 449 46 46 MET HE H 2.045 0.02 1 450 46 46 MET C C 177.542 0.30 1 451 46 46 MET CA C 55.776 0.30 1 452 46 46 MET CB C 33.775 0.30 1 453 46 46 MET CG C 32.175 0.30 1 454 46 46 MET CE C 17.534 0.30 1 455 46 46 MET N N 114.904 0.30 1 456 47 47 GLY H H 8.076 0.02 1 457 47 47 GLY HA2 H 4.196 0.02 2 458 47 47 GLY HA3 H 4.113 0.02 2 459 47 47 GLY C C 174.266 0.30 1 460 47 47 GLY CA C 47.533 0.30 1 461 47 47 GLY N N 110.399 0.30 1 462 48 48 ASP H H 8.643 0.02 1 463 48 48 ASP HA H 4.532 0.02 1 464 48 48 ASP HB2 H 2.735 0.02 2 465 48 48 ASP C C 177.091 0.30 1 466 48 48 ASP CA C 55.306 0.30 1 467 48 48 ASP CB C 39.821 0.30 1 468 48 48 ASP N N 118.140 0.30 1 469 49 49 LYS H H 7.970 0.02 1 470 49 49 LYS HA H 4.389 0.02 1 471 49 49 LYS HB2 H 1.922 0.02 2 472 49 49 LYS HB3 H 1.775 0.02 2 473 49 49 LYS HG2 H 1.499 0.02 2 474 49 49 LYS HD2 H 1.720 0.02 2 475 49 49 LYS HE2 H 3.031 0.02 2 476 49 49 LYS C C 174.587 0.30 1 477 49 49 LYS CA C 56.822 0.30 1 478 49 49 LYS CB C 34.517 0.30 1 479 49 49 LYS CG C 24.792 0.30 1 480 49 49 LYS CD C 29.279 0.30 1 481 49 49 LYS CE C 42.099 0.30 1 482 49 49 LYS N N 118.027 0.30 1 483 50 50 LEU H H 7.687 0.02 1 484 50 50 LEU HA H 4.619 0.02 1 485 50 50 LEU HB2 H 1.723 0.02 2 486 50 50 LEU HB3 H 1.113 0.02 2 487 50 50 LEU HG H 1.405 0.02 1 488 50 50 LEU HD1 H 0.828 0.02 2 489 50 50 LEU HD2 H 0.789 0.02 2 490 50 50 LEU C C 173.500 0.30 1 491 50 50 LEU CA C 53.730 0.30 1 492 50 50 LEU CB C 46.261 0.30 1 493 50 50 LEU CG C 27.022 0.30 1 494 50 50 LEU CD1 C 23.794 0.30 1 495 50 50 LEU N N 119.256 0.30 1 496 51 51 LYS H H 7.638 0.02 1 497 51 51 LYS HA H 4.737 0.02 1 498 51 51 LYS HB2 H 1.801 0.02 2 499 51 51 LYS HG2 H 1.156 0.02 2 500 51 51 LYS HG3 H 1.450 0.02 2 501 51 51 LYS HD2 H 1.653 0.02 2 502 51 51 LYS HE2 H 2.805 0.02 2 503 51 51 LYS HE3 H 2.968 0.02 2 504 51 51 LYS C C 174.338 0.30 1 505 51 51 LYS CA C 55.155 0.30 1 506 51 51 LYS CB C 34.934 0.30 1 507 51 51 LYS CG C 25.023 0.30 1 508 51 51 LYS CD C 29.869 0.30 1 509 51 51 LYS CE C 42.174 0.30 1 510 51 51 LYS N N 125.631 0.30 1 511 52 52 ILE H H 8.931 0.02 1 512 52 52 ILE HA H 5.145 0.02 1 513 52 52 ILE HB H 1.764 0.02 1 514 52 52 ILE HG12 H 0.875 0.02 1 515 52 52 ILE HG13 H 1.694 0.02 1 516 52 52 ILE HG2 H 0.776 0.02 1 517 52 52 ILE HD1 H 0.800 0.02 1 518 52 52 ILE C C 174.600 0.30 1 519 52 52 ILE CA C 60.079 0.30 1 520 52 52 ILE CB C 39.238 0.30 1 521 52 52 ILE CG1 C 28.280 0.30 2 522 52 52 ILE CG2 C 17.739 0.30 1 523 52 52 ILE CD1 C 14.792 0.30 1 524 52 52 ILE N N 128.013 0.30 1 525 53 53 VAL H H 8.958 0.02 1 526 53 53 VAL HA H 5.145 0.02 1 527 53 53 VAL HB H 1.500 0.02 1 528 53 53 VAL HG1 H 0.558 0.02 2 529 53 53 VAL HG2 H 0.542 0.02 2 530 53 53 VAL C C 174.600 0.30 1 531 53 53 VAL CA C 58.776 0.30 1 532 53 53 VAL CB C 34.783 0.30 1 533 53 53 VAL CG1 C 22.263 0.30 1 534 53 53 VAL CG2 C 21.542 0.30 1 535 53 53 VAL N N 124.576 0.30 1 536 54 54 LYS H H 8.949 0.02 1 537 54 54 LYS HA H 5.161 0.02 1 538 54 54 LYS HB2 H 1.719 0.02 2 539 54 54 LYS HB3 H 1.594 0.02 2 540 54 54 LYS HG2 H 1.174 0.02 2 541 54 54 LYS HG3 H 1.356 0.02 2 542 54 54 LYS HD2 H 1.091 0.02 2 543 54 54 LYS HD3 H 1.283 0.02 2 544 54 54 LYS HE2 H 2.095 0.02 2 545 54 54 LYS C C 175.153 0.30 1 546 54 54 LYS CA C 54.973 0.30 1 547 54 54 LYS CB C 35.298 0.30 1 548 54 54 LYS CG C 24.627 0.30 1 549 54 54 LYS CD C 29.403 0.30 1 550 54 54 LYS CE C 41.051 0.30 1 551 54 54 LYS N N 124.445 0.30 1 552 55 55 ILE H H 9.044 0.02 1 553 55 55 ILE HA H 4.674 0.02 1 554 55 55 ILE HB H 1.205 0.02 1 555 55 55 ILE HG12 H 0.601 0.02 1 556 55 55 ILE HG13 H 1.410 0.02 1 557 55 55 ILE HG2 H 0.204 0.02 1 558 55 55 ILE HD1 H 0.406 0.02 1 559 55 55 ILE C C 171.741 0.30 1 560 55 55 ILE CA C 59.412 0.30 1 561 55 55 ILE CB C 41.632 0.30 1 562 55 55 ILE CG1 C 29.025 0.30 2 563 55 55 ILE CG2 C 15.530 0.30 1 564 55 55 ILE CD1 C 15.045 0.30 1 565 55 55 ILE N N 121.620 0.30 1 566 56 56 ASP H H 8.413 0.02 1 567 56 56 ASP HA H 3.988 0.02 1 568 56 56 ASP HB2 H 2.480 0.02 2 569 56 56 ASP HB3 H 2.128 0.02 2 570 56 56 ASP C C 179.587 0.30 1 571 56 56 ASP CA C 52.124 0.30 1 572 56 56 ASP CB C 40.541 0.30 1 573 56 56 ASP N N 128.368 0.30 1 574 57 57 VAL H H 8.972 0.02 1 575 57 57 VAL HA H 4.034 0.02 1 576 57 57 VAL HB H 2.302 0.02 1 577 57 57 VAL HG1 H 1.196 0.02 2 578 57 57 VAL HG2 H 0.884 0.02 2 579 57 57 VAL C C 176.787 0.30 1 580 57 57 VAL CA C 63.844 0.30 1 581 57 57 VAL CB C 31.139 0.30 1 582 57 57 VAL CG1 C 24.051 0.30 1 583 57 57 VAL CG2 C 19.016 0.30 1 584 57 57 VAL N N 122.407 0.30 1 585 58 58 ASP H H 8.764 0.02 1 586 58 58 ASP HA H 4.589 0.02 1 587 58 58 ASP HB2 H 3.114 0.02 2 588 58 58 ASP HB3 H 2.639 0.02 2 589 58 58 ASP C C 178.821 0.30 1 590 58 58 ASP CA C 56.813 0.30 1 591 58 58 ASP CB C 40.049 0.30 1 592 58 58 ASP N N 122.747 0.30 1 593 59 59 GLU H H 7.067 0.02 1 594 59 59 GLU HA H 4.352 0.02 1 595 59 59 GLU HB2 H 2.157 0.02 2 596 59 59 GLU HB3 H 1.741 0.02 2 597 59 59 GLU HG2 H 2.176 0.02 2 598 59 59 GLU HG3 H 2.301 0.02 2 599 59 59 GLU C C 175.951 0.30 1 600 59 59 GLU CA C 56.291 0.30 1 601 59 59 GLU CB C 32.260 0.30 1 602 59 59 GLU CG C 36.572 0.30 1 603 59 59 GLU N N 116.240 0.30 1 604 60 60 ASN H H 7.484 0.02 1 605 60 60 ASN HA H 5.287 0.02 1 606 60 60 ASN HB2 H 2.787 0.02 2 607 60 60 ASN HB3 H 2.579 0.02 2 608 60 60 ASN HD21 H 8.251 0.02 2 609 60 60 ASN HD22 H 7.575 0.02 2 610 60 60 ASN C C 173.935 0.30 1 611 60 60 ASN CA C 52.761 0.30 1 612 60 60 ASN CB C 39.776 0.30 1 613 60 60 ASN N N 119.399 0.30 1 614 60 60 ASN ND2 N 121.650 0.30 1 615 61 61 GLN H H 8.485 0.02 1 616 61 61 GLN HA H 4.221 0.02 1 617 61 61 GLN HB2 H 2.198 0.02 2 618 61 61 GLN HB3 H 2.064 0.02 2 619 61 61 GLN HG2 H 2.487 0.02 2 620 61 61 GLN HG3 H 2.572 0.02 2 621 61 61 GLN HE21 H 7.639 0.02 2 622 61 61 GLN HE22 H 6.832 0.02 2 623 61 61 GLN C C 179.756 0.30 1 624 61 61 GLN CA C 58.374 0.30 1 625 61 61 GLN CB C 29.222 0.30 1 626 61 61 GLN CG C 34.320 0.30 1 627 61 61 GLN N N 119.431 0.30 1 628 61 61 GLN NE2 N 112.627 0.30 1 629 62 62 GLU H H 9.517 0.02 1 630 62 62 GLU HA H 4.092 0.02 1 631 62 62 GLU HB2 H 1.961 0.02 2 632 62 62 GLU HG2 H 2.172 0.02 2 633 62 62 GLU HG3 H 2.329 0.02 2 634 62 62 GLU C C 180.121 0.30 1 635 62 62 GLU CA C 59.806 0.30 1 636 62 62 GLU CB C 29.192 0.30 1 637 62 62 GLU CG C 36.390 0.30 1 638 62 62 GLU N N 122.439 0.30 1 639 63 63 THR H H 8.926 0.02 1 640 63 63 THR HA H 3.822 0.02 1 641 63 63 THR HB H 3.731 0.02 1 642 63 63 THR HG2 H 0.489 0.02 1 643 63 63 THR C C 175.961 0.30 1 644 63 63 THR CA C 68.041 0.30 1 645 63 63 THR CG2 C 21.298 0.30 1 646 63 63 THR N N 119.483 0.30 1 647 64 64 ALA H H 7.741 0.02 1 648 64 64 ALA HA H 3.782 0.02 1 649 64 64 ALA HB H 1.469 0.02 1 650 64 64 ALA C C 179.238 0.30 1 651 64 64 ALA CA C 55.893 0.30 1 652 64 64 ALA CB C 17.672 0.30 1 653 64 64 ALA N N 122.266 0.30 1 654 65 65 GLY H H 8.099 0.02 1 655 65 65 GLY HA2 H 3.878 0.02 2 656 65 65 GLY C C 177.244 0.30 1 657 65 65 GLY CA C 46.933 0.30 1 658 65 65 GLY N N 103.736 0.30 1 659 66 66 LYS H H 8.023 0.02 1 660 66 66 LYS HA H 3.891 0.02 1 661 66 66 LYS HB2 H 1.829 0.02 2 662 66 66 LYS HB3 H 1.680 0.02 2 663 66 66 LYS HG2 H 1.207 0.02 2 664 66 66 LYS HG3 H 0.716 0.02 2 665 66 66 LYS HD2 H 1.493 0.02 2 666 66 66 LYS HD3 H 1.546 0.02 2 667 66 66 LYS HE2 H 2.822 0.02 2 668 66 66 LYS C C 177.908 0.30 1 669 66 66 LYS CA C 59.254 0.30 1 670 66 66 LYS CB C 32.401 0.30 1 671 66 66 LYS CG C 24.799 0.30 1 672 66 66 LYS CD C 29.553 0.30 1 673 66 66 LYS CE C 42.211 0.30 1 674 66 66 LYS N N 123.871 0.30 1 675 67 67 TYR H H 7.241 0.02 1 676 67 67 TYR HA H 4.323 0.02 1 677 67 67 TYR HB2 H 3.172 0.02 2 678 67 67 TYR HB3 H 2.159 0.02 2 679 67 67 TYR HD1 H 7.236 0.02 3 680 67 67 TYR HE1 H 6.683 0.02 3 681 67 67 TYR C C 175.090 0.30 1 682 67 67 TYR CA C 58.861 0.30 1 683 67 67 TYR CB C 38.393 0.30 1 684 67 67 TYR N N 113.523 0.30 1 685 68 68 GLY H H 7.614 0.02 1 686 68 68 GLY HA2 H 3.811 0.02 2 687 68 68 GLY C C 174.752 0.30 1 688 68 68 GLY CA C 47.073 0.30 1 689 68 68 GLY N N 109.689 0.30 1 690 69 69 VAL H H 8.109 0.02 1 691 69 69 VAL HA H 3.629 0.02 1 692 69 69 VAL HB H 1.634 0.02 1 693 69 69 VAL HG1 H -0.030 0.02 2 694 69 69 VAL HG2 H 0.642 0.02 2 695 69 69 VAL C C 175.609 0.30 1 696 69 69 VAL CA C 63.874 0.30 1 697 69 69 VAL CB C 30.749 0.30 1 698 69 69 VAL CG1 C 20.151 0.30 1 699 69 69 VAL CG2 C 21.038 0.30 1 700 69 69 VAL N N 120.089 0.30 1 701 70 70 MET H H 8.503 0.02 1 702 70 70 MET HA H 4.622 0.02 1 703 70 70 MET HB2 H 2.147 0.02 2 704 70 70 MET HB3 H 1.950 0.02 2 705 70 70 MET HG2 H 2.445 0.02 2 706 70 70 MET HG3 H 2.573 0.02 2 707 70 70 MET C C 175.517 0.30 1 708 70 70 MET CA C 55.305 0.30 1 709 70 70 MET CB C 34.165 0.30 1 710 70 70 MET CG C 31.972 0.30 1 711 70 70 MET N N 127.796 0.30 1 712 71 71 SER H H 7.871 0.02 1 713 71 71 SER HA H 4.747 0.02 1 714 71 71 SER HB2 H 3.734 0.02 2 715 71 71 SER C C 172.059 0.30 1 716 71 71 SER CA C 57.391 0.30 1 717 71 71 SER CB C 64.979 0.30 1 718 71 71 SER N N 114.974 0.30 1 719 72 72 ILE H H 8.500 0.02 1 720 72 72 ILE HA H 4.828 0.02 1 721 72 72 ILE HB H 1.866 0.02 1 722 72 72 ILE HG12 H 1.172 0.02 1 723 72 72 ILE HG13 H 1.523 0.02 1 724 72 72 ILE HG2 H 0.736 0.02 1 725 72 72 ILE HD1 H 0.355 0.02 1 726 72 72 ILE CA C 58.176 0.30 1 727 72 72 ILE CB C 41.028 0.30 1 728 72 72 ILE CG1 C 24.521 0.30 2 729 72 72 ILE CG2 C 19.635 0.30 1 730 72 72 ILE CD1 C 16.415 0.30 1 731 72 72 ILE N N 115.979 0.30 1 732 73 73 PRO HA H 5.204 0.02 1 733 73 73 PRO HB2 H 2.773 0.02 2 734 73 73 PRO HB3 H 1.945 0.02 2 735 73 73 PRO HG2 H 1.797 0.02 2 736 73 73 PRO HD2 H 3.470 0.02 2 737 73 73 PRO HD3 H 3.766 0.02 2 738 73 73 PRO C C 177.278 0.30 1 739 73 73 PRO CA C 62.981 0.30 1 740 73 73 PRO CB C 34.569 0.30 1 741 73 73 PRO CG C 24.345 0.30 1 742 73 73 PRO CD C 51.215 0.30 1 743 74 74 THR H H 8.139 0.02 1 744 74 74 THR HA H 4.996 0.02 1 745 74 74 THR HB H 3.912 0.02 1 746 74 74 THR HG2 H 1.074 0.02 1 747 74 74 THR C C 171.567 0.30 1 748 74 74 THR CA C 64.185 0.30 1 749 74 74 THR CB C 72.334 0.30 1 750 74 74 THR CG2 C 21.494 0.30 1 751 74 74 THR N N 120.516 0.30 1 752 75 75 LEU H H 9.523 0.02 1 753 75 75 LEU HA H 5.935 0.02 1 754 75 75 LEU HB2 H 1.667 0.02 2 755 75 75 LEU HB3 H 1.363 0.02 2 756 75 75 LEU HG H 1.751 0.02 1 757 75 75 LEU HD1 H 0.881 0.02 2 758 75 75 LEU C C 175.323 0.30 1 759 75 75 LEU CA C 52.924 0.30 1 760 75 75 LEU CB C 43.068 0.30 1 761 75 75 LEU CG C 28.987 0.30 1 762 75 75 LEU CD1 C 25.652 0.30 1 763 75 75 LEU N N 129.113 0.30 1 764 76 76 LEU H H 9.064 0.02 1 765 76 76 LEU HA H 5.329 0.02 1 766 76 76 LEU HB2 H 1.727 0.02 2 767 76 76 LEU HB3 H 1.468 0.02 2 768 76 76 LEU HG H 0.674 0.02 1 769 76 76 LEU HD1 H 0.921 0.02 2 770 76 76 LEU C C 176.930 0.30 1 771 76 76 LEU CA C 52.485 0.30 1 772 76 76 LEU CB C 44.876 0.30 1 773 76 76 LEU CG C 26.548 0.30 1 774 76 76 LEU CD1 C 24.380 0.30 1 775 76 76 LEU N N 120.240 0.30 1 776 77 77 VAL H H 8.628 0.02 1 777 77 77 VAL HA H 4.979 0.02 1 778 77 77 VAL HB H 1.655 0.02 1 779 77 77 VAL HG1 H 0.639 0.02 2 780 77 77 VAL HG2 H 0.707 0.02 2 781 77 77 VAL C C 175.034 0.30 1 782 77 77 VAL CA C 61.448 0.30 1 783 77 77 VAL CB C 31.917 0.30 1 784 77 77 VAL CG1 C 21.531 0.30 1 785 77 77 VAL CG2 C 21.292 0.30 1 786 77 77 VAL N N 121.304 0.30 1 787 78 78 LEU H H 9.706 0.02 1 788 78 78 LEU HA H 5.403 0.02 1 789 78 78 LEU HB2 H 1.583 0.02 2 790 78 78 LEU HB3 H 1.364 0.02 2 791 78 78 LEU HG H 1.371 0.02 1 792 78 78 LEU HD1 H 0.721 0.02 2 793 78 78 LEU HD2 H 0.689 0.02 2 794 78 78 LEU C C 174.613 0.30 1 795 78 78 LEU CA C 54.409 0.30 1 796 78 78 LEU CB C 44.527 0.30 1 797 78 78 LEU CG C 29.282 0.30 1 798 78 78 LEU N N 129.298 0.30 1 799 79 79 LYS H H 8.928 0.02 1 800 79 79 LYS HA H 4.995 0.02 1 801 79 79 LYS HB2 H 1.833 0.02 2 802 79 79 LYS HB3 H 1.273 0.02 2 803 79 79 LYS HG2 H 1.237 0.02 2 804 79 79 LYS HG3 H 1.306 0.02 2 805 79 79 LYS HD2 H 1.790 0.02 2 806 79 79 LYS HE2 H 3.069 0.02 2 807 79 79 LYS C C 176.350 0.30 1 808 79 79 LYS CA C 54.858 0.30 1 809 79 79 LYS CB C 35.786 0.30 1 810 79 79 LYS CG C 25.389 0.30 1 811 79 79 LYS CD C 30.165 0.30 1 812 79 79 LYS N N 119.733 0.30 1 813 80 80 ASP H H 9.324 0.02 1 814 80 80 ASP HA H 4.268 0.02 1 815 80 80 ASP HB2 H 3.005 0.02 2 816 80 80 ASP HB3 H 2.725 0.02 2 817 80 80 ASP C C 176.039 0.30 1 818 80 80 ASP CA C 56.158 0.30 1 819 80 80 ASP CB C 39.844 0.30 1 820 80 80 ASP N N 129.918 0.30 1 821 81 81 GLY H H 9.552 0.02 1 822 81 81 GLY HA2 H 4.218 0.02 2 823 81 81 GLY HA3 H 3.599 0.02 2 824 81 81 GLY C C 173.725 0.30 1 825 81 81 GLY CA C 45.632 0.30 1 826 81 81 GLY N N 104.196 0.30 1 827 82 82 GLU H H 7.684 0.02 1 828 82 82 GLU HA H 4.656 0.02 1 829 82 82 GLU HB2 H 2.066 0.02 2 830 82 82 GLU HB3 H 1.925 0.02 2 831 82 82 GLU HG2 H 2.155 0.02 2 832 82 82 GLU HG3 H 2.312 0.02 2 833 82 82 GLU C C 175.979 0.30 1 834 82 82 GLU CA C 54.319 0.30 1 835 82 82 GLU CB C 31.732 0.30 1 836 82 82 GLU CG C 35.708 0.30 1 837 82 82 GLU N N 120.959 0.30 1 838 83 83 VAL H H 9.015 0.02 1 839 83 83 VAL HA H 4.041 0.02 1 840 83 83 VAL HB H 2.106 0.02 1 841 83 83 VAL HG1 H 0.927 0.02 2 842 83 83 VAL HG2 H 1.175 0.02 2 843 83 83 VAL C C 177.279 0.30 1 844 83 83 VAL CA C 64.809 0.30 1 845 83 83 VAL CB C 31.735 0.30 1 846 83 83 VAL CG1 C 22.038 0.30 1 847 83 83 VAL CG2 C 22.788 0.30 1 848 83 83 VAL N N 124.713 0.30 1 849 84 84 VAL H H 9.325 0.02 1 850 84 84 VAL HA H 4.618 0.02 1 851 84 84 VAL HB H 1.987 0.02 1 852 84 84 VAL HG1 H 0.051 0.02 2 853 84 84 VAL HG2 H 0.877 0.02 2 854 84 84 VAL C C 176.216 0.30 1 855 84 84 VAL CA C 61.195 0.30 1 856 84 84 VAL CB C 34.237 0.30 1 857 84 84 VAL CG1 C 18.309 0.30 1 858 84 84 VAL CG2 C 21.857 0.30 1 859 84 84 VAL N N 121.412 0.30 1 860 85 85 GLU H H 7.690 0.02 1 861 85 85 GLU HA H 4.710 0.02 1 862 85 85 GLU HB2 H 2.043 0.02 2 863 85 85 GLU HB3 H 1.598 0.02 2 864 85 85 GLU HG2 H 2.155 0.02 2 865 85 85 GLU HG3 H 2.385 0.02 2 866 85 85 GLU C C 174.824 0.30 1 867 85 85 GLU CA C 56.190 0.30 1 868 85 85 GLU CB C 33.349 0.30 1 869 85 85 GLU CG C 34.621 0.30 1 870 85 85 GLU N N 117.912 0.30 1 871 86 86 THR H H 8.695 0.02 1 872 86 86 THR HA H 4.808 0.02 1 873 86 86 THR HB H 3.876 0.02 1 874 86 86 THR HG2 H 1.064 0.02 1 875 86 86 THR C C 173.431 0.30 1 876 86 86 THR CA C 62.390 0.30 1 877 86 86 THR CB C 71.269 0.30 1 878 86 86 THR CG2 C 20.548 0.30 1 879 86 86 THR N N 117.663 0.30 1 880 87 87 SER H H 9.239 0.02 1 881 87 87 SER HA H 4.784 0.02 1 882 87 87 SER HB2 H 3.711 0.02 2 883 87 87 SER HB3 H 3.434 0.02 2 884 87 87 SER C C 173.752 0.30 1 885 87 87 SER CA C 56.946 0.30 1 886 87 87 SER CB C 64.229 0.30 1 887 87 87 SER N N 120.935 0.30 1 888 88 88 VAL H H 9.020 0.02 1 889 88 88 VAL HA H 4.718 0.02 1 890 88 88 VAL HB H 1.984 0.02 1 891 88 88 VAL HG1 H 0.890 0.02 2 892 88 88 VAL HG2 H 0.973 0.02 2 893 88 88 VAL C C 176.545 0.30 1 894 88 88 VAL CA C 62.146 0.30 1 895 88 88 VAL CB C 33.730 0.30 1 896 88 88 VAL CG1 C 21.288 0.30 1 897 88 88 VAL CG2 C 20.788 0.30 1 898 88 88 VAL N N 131.026 0.30 1 899 89 89 GLY H H 8.284 0.02 1 900 89 89 GLY HA2 H 4.532 0.02 2 901 89 89 GLY HA3 H 3.684 0.02 2 902 89 89 GLY C C 173.076 0.30 1 903 89 89 GLY CA C 43.554 0.30 1 904 89 89 GLY N N 111.902 0.30 1 905 90 90 PHE H H 8.928 0.02 1 906 90 90 PHE HA H 3.884 0.02 1 907 90 90 PHE HB2 H 3.079 0.02 2 908 90 90 PHE HB3 H 2.887 0.02 2 909 90 90 PHE HD1 H 7.009 0.02 3 910 90 90 PHE HE1 H 7.187 0.02 3 911 90 90 PHE HZ H 7.287 0.02 1 912 90 90 PHE C C 175.012 0.30 1 913 90 90 PHE CA C 61.100 0.30 1 914 90 90 PHE CB C 39.559 0.30 1 915 90 90 PHE N N 118.176 0.30 1 916 91 91 LYS H H 5.863 0.02 1 917 91 91 LYS HA H 4.271 0.02 1 918 91 91 LYS HB2 H 1.156 0.02 2 919 91 91 LYS HB3 H 1.460 0.02 2 920 91 91 LYS HG2 H 1.201 0.02 2 921 91 91 LYS HD2 H 1.360 0.02 2 922 91 91 LYS HD3 H 1.598 0.02 2 923 91 91 LYS HE2 H 2.848 0.02 2 924 91 91 LYS HE3 H 2.921 0.02 2 925 91 91 LYS CA C 52.380 0.30 1 926 91 91 LYS CB C 36.425 0.30 1 927 91 91 LYS CG C 24.840 0.30 1 928 91 91 LYS CD C 28.726 0.30 1 929 91 91 LYS CE C 42.541 0.30 1 930 91 91 LYS N N 127.808 0.30 1 931 92 92 PRO HA H 4.371 0.02 1 932 92 92 PRO HB2 H 2.426 0.02 2 933 92 92 PRO HB3 H 2.260 0.02 2 934 92 92 PRO HG2 H 1.841 0.02 2 935 92 92 PRO HG3 H 2.162 0.02 2 936 92 92 PRO HD2 H 3.424 0.02 2 937 92 92 PRO HD3 H 3.521 0.02 2 938 92 92 PRO C C 176.983 0.30 1 939 92 92 PRO CA C 61.098 0.30 1 940 92 92 PRO CB C 33.048 0.30 1 941 92 92 PRO CG C 27.426 0.30 1 942 92 92 PRO CD C 50.004 0.30 1 943 93 93 LYS H H 8.956 0.02 1 944 93 93 LYS HA H 3.404 0.02 1 945 93 93 LYS HB2 H 1.910 0.02 2 946 93 93 LYS HB3 H 1.742 0.02 2 947 93 93 LYS HG2 H 1.239 0.02 2 948 93 93 LYS HD2 H 1.635 0.02 2 949 93 93 LYS HE2 H 2.737 0.02 2 950 93 93 LYS HE3 H 2.848 0.02 2 951 93 93 LYS C C 177.918 0.30 1 952 93 93 LYS CA C 61.242 0.30 1 953 93 93 LYS CB C 32.575 0.30 1 954 93 93 LYS CG C 24.532 0.30 1 955 93 93 LYS CD C 29.326 0.30 1 956 93 93 LYS CE C 41.485 0.30 1 957 93 93 LYS N N 120.466 0.30 1 958 94 94 GLU H H 9.650 0.02 1 959 94 94 GLU HA H 4.120 0.02 1 960 94 94 GLU HB2 H 1.998 0.02 2 961 94 94 GLU HG2 H 2.322 0.02 2 962 94 94 GLU HG3 H 2.449 0.02 2 963 94 94 GLU C C 178.778 0.30 1 964 94 94 GLU CA C 60.195 0.30 1 965 94 94 GLU CB C 28.233 0.30 1 966 94 94 GLU CG C 36.586 0.30 1 967 94 94 GLU N N 116.102 0.30 1 968 95 95 ALA H H 6.948 0.02 1 969 95 95 ALA HA H 4.283 0.02 1 970 95 95 ALA HB H 1.451 0.02 1 971 95 95 ALA C C 180.796 0.30 1 972 95 95 ALA CA C 54.108 0.30 1 973 95 95 ALA CB C 18.953 0.30 1 974 95 95 ALA N N 121.363 0.30 1 975 96 96 LEU H H 7.572 0.02 1 976 96 96 LEU HA H 3.952 0.02 1 977 96 96 LEU HB2 H 1.748 0.02 2 978 96 96 LEU HB3 H 1.073 0.02 2 979 96 96 LEU HG H 1.477 0.02 1 980 96 96 LEU HD1 H 0.601 0.02 2 981 96 96 LEU HD2 H 0.573 0.02 2 982 96 96 LEU C C 178.466 0.30 1 983 96 96 LEU CA C 57.442 0.30 1 984 96 96 LEU CB C 41.857 0.30 1 985 96 96 LEU CG C 26.288 0.30 1 986 96 96 LEU CD1 C 25.774 0.30 1 987 96 96 LEU N N 119.119 0.30 1 988 97 97 GLN H H 8.716 0.02 1 989 97 97 GLN HA H 3.667 0.02 1 990 97 97 GLN HB2 H 2.090 0.02 2 991 97 97 GLN HB3 H 2.000 0.02 2 992 97 97 GLN HG2 H 2.207 0.02 2 993 97 97 GLN HG3 H 2.311 0.02 2 994 97 97 GLN HE21 H 7.361 0.02 2 995 97 97 GLN HE22 H 6.860 0.02 2 996 97 97 GLN C C 177.535 0.30 1 997 97 97 GLN CA C 59.693 0.30 1 998 97 97 GLN CB C 28.677 0.30 1 999 97 97 GLN CG C 34.500 0.30 1 1000 97 97 GLN N N 118.265 0.30 1 1001 97 97 GLN NE2 N 111.513 0.30 1 1002 98 98 GLU H H 7.407 0.02 1 1003 98 98 GLU HA H 3.987 0.02 1 1004 98 98 GLU HB2 H 2.084 0.02 2 1005 98 98 GLU HG2 H 2.231 0.02 2 1006 98 98 GLU HG3 H 2.397 0.02 2 1007 98 98 GLU C C 178.396 0.30 1 1008 98 98 GLU CA C 59.529 0.30 1 1009 98 98 GLU CB C 29.533 0.30 1 1010 98 98 GLU CG C 36.218 0.30 1 1011 98 98 GLU N N 117.625 0.30 1 1012 99 99 LEU H H 7.267 0.02 1 1013 99 99 LEU HA H 4.018 0.02 1 1014 99 99 LEU HB2 H 1.836 0.02 2 1015 99 99 LEU HB3 H 1.614 0.02 2 1016 99 99 LEU HG H 1.715 0.02 1 1017 99 99 LEU HD1 H 0.763 0.02 2 1018 99 99 LEU HD2 H 0.836 0.02 2 1019 99 99 LEU C C 177.843 0.30 1 1020 99 99 LEU CA C 57.881 0.30 1 1021 99 99 LEU CB C 42.903 0.30 1 1022 99 99 LEU CG C 26.519 0.30 1 1023 99 99 LEU CD1 C 24.288 0.30 1 1024 99 99 LEU CD2 C 24.788 0.30 1 1025 99 99 LEU N N 117.906 0.30 1 1026 100 100 VAL H H 7.678 0.02 1 1027 100 100 VAL HA H 3.788 0.02 1 1028 100 100 VAL HB H 2.021 0.02 1 1029 100 100 VAL HG1 H 0.935 0.02 2 1030 100 100 VAL HG2 H 0.990 0.02 2 1031 100 100 VAL C C 178.445 0.30 1 1032 100 100 VAL CA C 65.580 0.30 1 1033 100 100 VAL CB C 32.345 0.30 1 1034 100 100 VAL CG1 C 22.602 0.30 1 1035 100 100 VAL CG2 C 21.574 0.30 1 1036 100 100 VAL N N 111.966 0.30 1 1037 101 101 ASN H H 8.562 0.02 1 1038 101 101 ASN HA H 4.441 0.02 1 1039 101 101 ASN HB2 H 2.873 0.02 2 1040 101 101 ASN HB3 H 2.689 0.02 2 1041 101 101 ASN HD21 H 7.309 0.02 2 1042 101 101 ASN HD22 H 6.665 0.02 2 1043 101 101 ASN C C 177.793 0.30 1 1044 101 101 ASN CA C 55.951 0.30 1 1045 101 101 ASN CB C 38.084 0.30 1 1046 101 101 ASN N N 118.349 0.30 1 1047 101 101 ASN ND2 N 108.995 0.30 1 1048 102 102 LYS H H 7.239 0.02 1 1049 102 102 LYS HA H 4.036 0.02 1 1050 102 102 LYS HB2 H 1.644 0.02 2 1051 102 102 LYS HB3 H 1.471 0.02 2 1052 102 102 LYS HG2 H 1.187 0.02 2 1053 102 102 LYS HG3 H 1.132 0.02 2 1054 102 102 LYS HD2 H 1.680 0.02 2 1055 102 102 LYS HD3 H 1.614 0.02 2 1056 102 102 LYS HE2 H 2.879 0.02 2 1057 102 102 LYS HE3 H 2.965 0.02 2 1058 102 102 LYS C C 176.597 0.30 1 1059 102 102 LYS CA C 58.139 0.30 1 1060 102 102 LYS CB C 32.345 0.30 1 1061 102 102 LYS CG C 24.200 0.30 1 1062 102 102 LYS CD C 29.442 0.30 1 1063 102 102 LYS CE C 41.895 0.30 1 1064 102 102 LYS N N 116.360 0.30 1 1065 103 103 HIS H H 7.784 0.02 1 1066 103 103 HIS HA H 4.716 0.02 1 1067 103 103 HIS HB2 H 3.334 0.02 2 1068 103 103 HIS HB3 H 2.676 0.02 2 1069 103 103 HIS HD2 H 7.543 0.02 3 1070 103 103 HIS C C 173.200 0.30 1 1071 103 103 HIS CA C 55.983 0.30 1 1072 103 103 HIS CB C 31.657 0.30 1 1073 103 103 HIS N N 115.838 0.30 1 1074 104 104 LEU H H 7.049 0.02 1 1075 104 104 LEU HA H 4.233 0.02 1 1076 104 104 LEU HB2 H 1.628 0.02 2 1077 104 104 LEU HB3 H 1.686 0.02 2 1078 104 104 LEU HG H 1.807 0.02 1 1079 104 104 LEU HD2 H 0.874 0.02 2 1080 104 104 LEU CA C 56.871 0.30 1 1081 104 104 LEU CB C 43.742 0.30 1 1082 104 104 LEU CG C 26.787 0.30 1 1083 104 104 LEU CD1 C 26.288 0.30 1 1084 104 104 LEU CD2 C 23.755 0.30 1 1085 104 104 LEU N N 125.856 0.30 1 stop_ save_