data_18399 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Solution structure of a ubiquitin-like protein from Trypanosoma brucei ; _BMRB_accession_number 18399 _BMRB_flat_file_name bmr18399.str _Entry_type original _Submission_date 2012-04-13 _Accession_date 2012-04-13 _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 Wang Rui . . 2 Wang Tao . . 3 Liao Shanhui . . 4 Zhang Jiahai . . 5 Tu Xiaoming . . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 377 "13C chemical shifts" 224 "15N chemical shifts" 77 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2013-04-22 original author . stop_ _Original_release_date 2013-04-22 save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full . _Citation_title 'Solution structure of a ubiqutin-like protein from Trypanosoma bucei' _Citation_status 'in preparation' _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID ? loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Wang Rui . . 2 Liao Shanhui . . 3 Wang Tao . . 4 Zhang Jiahai . . 5 Tu Xiaoming . . stop_ _Journal_abbreviation 'Not known' _Journal_volume . _Journal_issue . _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first . _Page_last . _Year . _Details . save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name 'ubiqutin-like protein from Trypanosoma bucei' _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label 'ubiqutin-like protein from Trypanosoma bucei' $tbubl 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_tbubl _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common entity _Molecular_mass 8680.189 _Mol_thiol_state 'all free' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 84 _Mol_residue_sequence ; HHHHHHMLLKVKTVSNKVIQ ITSLTDDNTIAELKGKLEES EGIPGNMIRLVYQGKQLEDE KRLKDYQMSAGATFHMVVAL RAGC ; loop_ _Residue_seq_code _Residue_author_seq_code _Residue_label 1 -5 HIS 2 -4 HIS 3 -3 HIS 4 -2 HIS 5 -1 HIS 6 0 HIS 7 1 MET 8 2 LEU 9 3 LEU 10 4 LYS 11 5 VAL 12 6 LYS 13 7 THR 14 8 VAL 15 9 SER 16 10 ASN 17 11 LYS 18 12 VAL 19 13 ILE 20 14 GLN 21 15 ILE 22 16 THR 23 17 SER 24 18 LEU 25 19 THR 26 20 ASP 27 21 ASP 28 22 ASN 29 23 THR 30 24 ILE 31 25 ALA 32 26 GLU 33 27 LEU 34 28 LYS 35 29 GLY 36 30 LYS 37 31 LEU 38 32 GLU 39 33 GLU 40 34 SER 41 35 GLU 42 36 GLY 43 37 ILE 44 38 PRO 45 39 GLY 46 40 ASN 47 41 MET 48 42 ILE 49 43 ARG 50 44 LEU 51 45 VAL 52 46 TYR 53 47 GLN 54 48 GLY 55 49 LYS 56 50 GLN 57 51 LEU 58 52 GLU 59 53 ASP 60 54 GLU 61 55 LYS 62 56 ARG 63 57 LEU 64 58 LYS 65 59 ASP 66 60 TYR 67 61 GLN 68 62 MET 69 63 SER 70 64 ALA 71 65 GLY 72 66 ALA 73 67 THR 74 68 PHE 75 69 HIS 76 70 MET 77 71 VAL 78 72 VAL 79 73 ALA 80 74 LEU 81 75 ARG 82 76 ALA 83 77 GLY 84 78 CYS stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date 2015-04-23 loop_ _Database_name _Database_accession_code _Database_entry_mol_name _Sequence_query_to_submitted_percentage _Sequence_subject_length _Sequence_identity _Sequence_positive _Sequence_homology_expectation_value PDB 2LRW "Solution Structure Of A Ubiquitin-like Protein From Trypanosoma Brucei" 100.00 84 100.00 100.00 7.04e-54 EMBL CBH10548 "ubiquitin, putative [Trypanosoma brucei gambiense DAL972]" 92.86 78 100.00 100.00 6.85e-49 GB AAX79072 "ubiquitin, putative [Trypanosoma brucei]" 92.86 78 100.00 100.00 6.85e-49 GB AAZ10845 "ubiquitin, putative [Trypanosoma brucei brucei TREU927]" 92.86 78 100.00 100.00 6.85e-49 REF XP_011772837 "ubiquitin, putative [Trypanosoma brucei gambiense DAL972]" 92.86 78 100.00 100.00 6.85e-49 REF XP_844404 "ubiquitin [Trypanosoma brucei brucei TREU927]" 92.86 78 100.00 100.00 6.85e-49 stop_ save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species $tbubl 'Trypanosoma brucei' 5691 Eukaryota . Trypanosoma brucei 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 $tbubl 'recombinant technology' . Escherichia coli . pET28 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 $tbubl 0.5 mM '[U-100% 13C; U-100% 15N]' H2O 0.5 mM 'natural abundance' D2O 0.5 mM 'natural abundance' stop_ save_ ############################ # Computer software used # ############################ save_CYANA _Saveframe_category software _Name CYANA _Version . loop_ _Vendor _Address _Electronic_address 'Guntert, Mumenthaler and Wuthrich' . . stop_ loop_ _Task 'chemical shift calculation' stop_ _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model DMX _Field_strength 500 _Details . save_ ############################# # NMR applied experiments # ############################# save_2D_1H-15N_HSQC_1 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-15N HSQC' _Sample_label $sample_1 save_ save_2D_1H-13C_HSQC_2 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-13C HSQC' _Sample_label $sample_1 save_ save_3D_CBCA(CO)NH_3 _Saveframe_category NMR_applied_experiment _Experiment_name '3D CBCA(CO)NH' _Sample_label $sample_1 save_ save_3D_C(CO)NH_4 _Saveframe_category NMR_applied_experiment _Experiment_name '3D C(CO)NH' _Sample_label $sample_1 save_ save_3D_HNCACB_5 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCACB' _Sample_label $sample_1 save_ save_3D_H(CCO)NH_6 _Saveframe_category NMR_applied_experiment _Experiment_name '3D H(CCO)NH' _Sample_label $sample_1 save_ save_3D_HBHA(CO)NH_7 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HBHA(CO)NH' _Sample_label $sample_1 save_ save_3D_1H-15N_NOESY_8 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-15N NOESY' _Sample_label $sample_1 save_ save_3D_1H-13C_NOESY_9 _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' 0.15 . M pH 6.8 . pH pressure 1 . atm temperature 293 . K stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference_1 _Saveframe_category chemical_shift_reference _Details . loop_ _Mol_common_name _Atom_type _Atom_isotope_number _Atom_group _Chem_shift_units _Chem_shift_value _Reference_method _Reference_type _External_reference_sample_geometry _External_reference_location _External_reference_axis _Indirect_shift_ratio DSS C 13 'methyl protons' ppm 0.00 na indirect . . . 0.251449530 DSS H 1 'methyl protons' ppm 0.00 internal direct . . . 1.000000000 DSS N 15 'methyl protons' ppm 0.00 na indirect . . . 0.101329118 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_assigned_chem_shift_list_1 _Saveframe_category assigned_chemical_shifts _Details . loop_ _Experiment_label '2D 1H-15N HSQC' '2D 1H-13C HSQC' '3D CBCA(CO)NH' '3D C(CO)NH' '3D HNCACB' '3D H(CCO)NH' '3D HBHA(CO)NH' '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 'ubiqutin-like protein from Trypanosoma bucei' _Text_data_format . _Text_data . loop_ _Atom_shift_assign_ID _Residue_author_seq_code _Residue_seq_code _Residue_label _Atom_name _Atom_type _Chem_shift_value _Chem_shift_value_error _Chem_shift_ambiguity_code 1 1 7 MET H H 8.366 0.010 1 2 1 7 MET HA H 4.502 0.015 1 3 1 7 MET HB2 H 1.708 0.020 2 4 1 7 MET HB3 H 1.872 0.016 2 5 1 7 MET HE H 2.253 0.016 1 6 1 7 MET CA C 54.388 0.247 1 7 1 7 MET CB C 34.716 0.100 1 8 1 7 MET CG C 31.334 0.000 1 9 1 7 MET N N 121.454 0.049 1 10 2 8 LEU H H 8.251 0.006 1 11 2 8 LEU HA H 4.474 0.021 1 12 2 8 LEU HB2 H 1.482 0.016 2 13 2 8 LEU HB3 H 1.631 0.018 2 14 2 8 LEU HG H 1.292 0.023 1 15 2 8 LEU HD1 H 0.775 0.013 2 16 2 8 LEU CA C 55.275 0.125 1 17 2 8 LEU CB C 41.902 0.177 1 18 2 8 LEU CG C 28.219 0.000 1 19 2 8 LEU CD1 C 24.511 0.000 2 20 2 8 LEU N N 125.142 0.020 1 21 3 9 LEU H H 8.307 0.012 1 22 3 9 LEU HA H 4.796 0.021 1 23 3 9 LEU HB2 H 1.164 0.012 2 24 3 9 LEU HB3 H 1.599 0.020 2 25 3 9 LEU HD1 H 0.659 0.002 2 26 3 9 LEU CA C 53.043 0.072 1 27 3 9 LEU CB C 44.508 0.217 1 28 3 9 LEU CG C 26.715 0.000 1 29 3 9 LEU N N 126.326 0.039 1 30 4 10 LYS H H 8.428 0.014 1 31 4 10 LYS HA H 5.080 0.014 1 32 4 10 LYS HB2 H 1.398 0.008 2 33 4 10 LYS HB3 H 1.849 0.017 2 34 4 10 LYS HG2 H 1.472 0.000 2 35 4 10 LYS HG3 H 1.472 0.000 2 36 4 10 LYS HD2 H 1.134 0.000 2 37 4 10 LYS HD3 H 1.134 0.000 2 38 4 10 LYS HE2 H 2.756 0.023 2 39 4 10 LYS HE3 H 2.756 0.023 2 40 4 10 LYS CA C 54.632 0.146 1 41 4 10 LYS CB C 34.425 0.181 1 42 4 10 LYS CG C 25.459 0.000 1 43 4 10 LYS N N 121.349 0.027 1 44 5 11 VAL H H 9.088 0.014 1 45 5 11 VAL HA H 4.688 0.018 1 46 5 11 VAL HB H 1.869 0.012 1 47 5 11 VAL HG1 H 0.740 0.016 2 48 5 11 VAL CA C 60.326 0.174 1 49 5 11 VAL CB C 33.830 0.160 1 50 5 11 VAL CG1 C 22.384 0.000 2 51 5 11 VAL CG2 C 20.738 0.000 2 52 5 11 VAL N N 122.408 0.065 1 53 6 12 LYS H H 9.029 0.011 1 54 6 12 LYS HA H 5.352 0.021 1 55 6 12 LYS HB2 H 1.336 0.016 2 56 6 12 LYS HB3 H 1.696 0.013 2 57 6 12 LYS HG2 H 1.221 0.013 2 58 6 12 LYS HG3 H 1.221 0.013 2 59 6 12 LYS HD2 H 1.518 0.018 2 60 6 12 LYS HD3 H 1.518 0.018 2 61 6 12 LYS CA C 54.675 0.197 1 62 6 12 LYS CB C 34.184 0.134 1 63 6 12 LYS CG C 25.016 0.000 1 64 6 12 LYS N N 127.778 0.042 1 65 7 13 THR H H 8.790 0.011 1 66 7 13 THR HA H 4.860 0.020 1 67 7 13 THR HG2 H 1.169 0.008 1 68 7 13 THR CA C 60.392 0.097 1 69 7 13 THR CB C 71.189 0.134 1 70 7 13 THR CG2 C 21.383 0.000 1 71 7 13 THR N N 116.723 0.054 1 72 8 14 VAL H H 8.872 0.013 1 73 8 14 VAL HA H 4.103 0.017 1 74 8 14 VAL HB H 2.328 0.014 1 75 8 14 VAL HG1 H 1.119 0.021 2 76 8 14 VAL CA C 64.712 0.100 1 77 8 14 VAL CB C 31.160 0.235 1 78 8 14 VAL CG1 C 21.314 0.000 2 79 8 14 VAL N N 119.340 0.078 1 80 9 15 SER H H 7.859 0.015 1 81 9 15 SER HA H 4.513 0.014 1 82 9 15 SER HB2 H 3.886 0.009 2 83 9 15 SER HB3 H 4.055 0.000 2 84 9 15 SER CA C 57.913 0.170 1 85 9 15 SER CB C 63.243 0.244 1 86 9 15 SER N N 114.630 0.040 1 87 10 16 ASN H H 8.229 0.013 1 88 10 16 ASN HA H 4.192 0.018 1 89 10 16 ASN HB2 H 3.056 0.018 2 90 10 16 ASN CA C 54.961 0.142 1 91 10 16 ASN CB C 36.295 0.062 1 92 10 16 ASN N N 115.509 0.047 1 93 11 17 LYS H H 7.315 0.017 1 94 11 17 LYS HA H 4.255 0.000 1 95 11 17 LYS HB2 H 1.609 0.015 2 96 11 17 LYS HG2 H 1.099 0.022 2 97 11 17 LYS HG3 H 1.555 0.000 2 98 11 17 LYS HD2 H 1.404 0.023 2 99 11 17 LYS HD3 H 1.404 0.023 2 100 11 17 LYS HE2 H 2.825 0.000 2 101 11 17 LYS HE3 H 2.825 0.000 2 102 11 17 LYS CA C 56.347 0.157 1 103 11 17 LYS CB C 32.936 0.361 1 104 11 17 LYS CG C 24.874 0.000 1 105 11 17 LYS CD C 29.387 0.000 1 106 11 17 LYS CE C 41.870 0.000 1 107 11 17 LYS N N 120.345 0.040 1 108 12 18 VAL H H 8.576 0.017 1 109 12 18 VAL HA H 4.637 0.023 1 110 12 18 VAL HB H 1.901 0.016 1 111 12 18 VAL HG1 H 0.700 0.000 2 112 12 18 VAL HG2 H 0.851 0.018 2 113 12 18 VAL CA C 61.749 0.145 1 114 12 18 VAL CB C 32.192 0.122 1 115 12 18 VAL CG1 C 21.360 0.000 2 116 12 18 VAL N N 125.270 0.041 1 117 13 19 ILE H H 9.486 0.015 1 118 13 19 ILE HA H 4.153 0.016 1 119 13 19 ILE HB H 1.675 0.017 1 120 13 19 ILE HG12 H 1.333 0.015 2 121 13 19 ILE HG13 H 1.333 0.015 2 122 13 19 ILE HG2 H 0.916 0.007 1 123 13 19 ILE HD1 H 0.744 0.015 1 124 13 19 ILE CA C 60.445 0.163 1 125 13 19 ILE CB C 40.195 0.109 1 126 13 19 ILE CG1 C 27.574 0.000 1 127 13 19 ILE CG2 C 14.815 0.000 1 128 13 19 ILE CD1 C 17.726 0.000 1 129 13 19 ILE N N 130.928 0.092 1 130 14 20 GLN H H 8.803 0.015 1 131 14 20 GLN HA H 5.062 0.017 1 132 14 20 GLN HB2 H 1.914 0.014 2 133 14 20 GLN HB3 H 2.323 0.019 2 134 14 20 GLN CA C 54.795 0.185 1 135 14 20 GLN CB C 29.601 0.177 1 136 14 20 GLN CG C 34.955 0.187 1 137 14 20 GLN N N 124.762 0.033 1 138 15 21 ILE H H 9.076 0.013 1 139 15 21 ILE HA H 4.513 0.013 1 140 15 21 ILE HB H 1.755 0.006 1 141 15 21 ILE HG12 H 1.125 0.016 2 142 15 21 ILE HG13 H 1.696 0.000 2 143 15 21 ILE HG2 H 0.904 0.018 1 144 15 21 ILE HD1 H 0.628 0.000 1 145 15 21 ILE CA C 59.639 0.217 1 146 15 21 ILE CB C 39.171 0.173 1 147 15 21 ILE CG1 C 26.624 0.000 1 148 15 21 ILE CG2 C 17.067 0.000 1 149 15 21 ILE N N 126.010 0.034 1 150 16 22 THR H H 9.047 0.013 1 151 16 22 THR HA H 4.904 0.031 1 152 16 22 THR HB H 4.458 0.000 1 153 16 22 THR HG2 H 1.071 0.020 1 154 16 22 THR CA C 61.462 0.162 1 155 16 22 THR CB C 69.657 0.167 1 156 16 22 THR CG2 C 21.108 0.000 1 157 16 22 THR N N 118.074 0.057 1 158 17 23 SER H H 7.330 0.016 1 159 17 23 SER HA H 4.440 0.000 1 160 17 23 SER HB2 H 3.748 0.009 2 161 17 23 SER HB3 H 4.053 0.014 2 162 17 23 SER CA C 58.002 0.000 1 163 17 23 SER CB C 64.268 0.202 1 164 17 23 SER N N 113.130 0.069 1 165 18 24 LEU H H 8.728 0.013 1 166 18 24 LEU HA H 4.739 0.020 1 167 18 24 LEU HB2 H 1.436 0.015 2 168 18 24 LEU HB3 H 1.829 0.014 2 169 18 24 LEU HD1 H 0.624 0.008 2 170 18 24 LEU CA C 53.858 0.119 1 171 18 24 LEU CB C 42.490 0.156 1 172 18 24 LEU CG C 26.703 0.000 1 173 18 24 LEU N N 123.241 0.025 1 174 19 25 THR H H 9.363 0.016 1 175 19 25 THR HA H 4.816 0.021 1 176 19 25 THR HB H 4.339 0.009 1 177 19 25 THR HG2 H 0.846 0.010 1 178 19 25 THR CA C 59.575 0.159 1 179 19 25 THR CB C 72.043 0.083 1 180 19 25 THR CG2 C 20.598 0.000 1 181 19 25 THR N N 111.915 0.051 1 182 20 26 ASP H H 8.785 0.014 1 183 20 26 ASP HA H 4.333 0.016 1 184 20 26 ASP HB2 H 2.739 0.028 2 185 20 26 ASP HB3 H 2.739 0.028 2 186 20 26 ASP CA C 55.729 0.088 1 187 20 26 ASP CB C 39.382 0.164 1 188 20 26 ASP N N 117.183 0.066 1 189 21 27 ASP H H 7.775 0.015 1 190 21 27 ASP HA H 4.674 0.020 1 191 21 27 ASP HB2 H 2.200 0.020 2 192 21 27 ASP HB3 H 2.485 0.018 2 193 21 27 ASP CA C 54.770 0.210 1 194 21 27 ASP CB C 42.294 0.178 1 195 21 27 ASP N N 116.327 0.041 1 196 22 28 ASN H H 7.829 0.014 1 197 22 28 ASN HA H 4.892 0.019 1 198 22 28 ASN HB2 H 2.897 0.013 2 199 22 28 ASN CA C 55.810 0.048 1 200 22 28 ASN CB C 41.101 0.022 1 201 22 28 ASN N N 117.269 0.033 1 202 23 29 THR H H 9.145 0.016 1 203 23 29 THR HA H 5.206 0.012 1 204 23 29 THR HB H 4.839 0.004 1 205 23 29 THR HG2 H 1.150 0.014 1 206 23 29 THR CA C 59.830 0.144 1 207 23 29 THR CB C 72.396 0.033 1 208 23 29 THR CG2 C 21.306 0.000 1 209 23 29 THR N N 108.639 0.037 1 210 24 30 ILE H H 8.477 0.016 1 211 24 30 ILE HA H 3.686 0.016 1 212 24 30 ILE HB H 2.689 0.014 1 213 24 30 ILE HG12 H 1.784 0.000 2 214 24 30 ILE HG13 H 1.288 0.024 2 215 24 30 ILE HG2 H 0.683 0.019 1 216 24 30 ILE HD1 H 0.524 0.020 1 217 24 30 ILE CA C 61.580 0.215 1 218 24 30 ILE CB C 33.344 0.162 1 219 24 30 ILE CG1 C 27.055 0.000 1 220 24 30 ILE CG2 C 17.338 0.000 1 221 24 30 ILE CD1 C 9.259 0.000 1 222 24 30 ILE N N 120.336 0.062 1 223 25 31 ALA H H 8.951 0.013 1 224 25 31 ALA HA H 3.871 0.023 1 225 25 31 ALA HB H 1.417 0.018 1 226 25 31 ALA CA C 55.956 0.113 1 227 25 31 ALA CB C 18.160 0.071 1 228 25 31 ALA N N 123.489 0.047 1 229 26 32 GLU H H 7.988 0.011 1 230 26 32 GLU HA H 4.015 0.015 1 231 26 32 GLU HB2 H 1.838 0.020 2 232 26 32 GLU HB3 H 2.624 0.016 2 233 26 32 GLU HG2 H 2.184 0.000 2 234 26 32 GLU HG3 H 2.460 0.016 2 235 26 32 GLU CA C 59.351 0.254 1 236 26 32 GLU CB C 28.722 0.123 1 237 26 32 GLU CG C 38.179 0.000 1 238 26 32 GLU N N 120.101 0.036 1 239 27 33 LEU H H 8.083 0.009 1 240 27 33 LEU HA H 4.033 0.015 1 241 27 33 LEU HB2 H 1.179 0.012 2 242 27 33 LEU HB3 H 2.281 0.014 2 243 27 33 LEU HD1 H 0.533 0.000 2 244 27 33 LEU HD2 H 0.751 0.011 2 245 27 33 LEU CA C 58.662 0.150 1 246 27 33 LEU CB C 40.157 0.120 1 247 27 33 LEU CG C 27.395 0.000 1 248 27 33 LEU CD2 C 23.022 0.000 2 249 27 33 LEU N N 124.025 0.044 1 250 28 34 LYS H H 8.746 0.016 1 251 28 34 LYS HA H 3.799 0.020 1 252 28 34 LYS HB2 H 1.775 0.015 2 253 28 34 LYS HB3 H 2.048 0.015 2 254 28 34 LYS HD2 H 1.627 0.001 2 255 28 34 LYS HD3 H 1.695 0.021 2 256 28 34 LYS CA C 61.510 0.218 1 257 28 34 LYS CB C 31.848 0.065 1 258 28 34 LYS CG C 27.841 0.000 1 259 28 34 LYS CD C 29.947 0.000 1 260 28 34 LYS N N 119.471 0.050 1 261 29 35 GLY H H 8.096 0.012 1 262 29 35 GLY HA2 H 3.908 0.013 2 263 29 35 GLY CA C 47.042 0.142 1 264 29 35 GLY N N 106.034 0.065 1 265 30 36 LYS H H 7.704 0.021 1 266 30 36 LYS HA H 4.237 0.015 1 267 30 36 LYS HB2 H 1.929 0.018 2 268 30 36 LYS HB3 H 2.192 0.018 2 269 30 36 LYS HG2 H 1.679 0.017 2 270 30 36 LYS HG3 H 1.679 0.017 2 271 30 36 LYS HD2 H 1.335 0.017 2 272 30 36 LYS HD3 H 1.335 0.017 2 273 30 36 LYS CA C 57.342 0.139 1 274 30 36 LYS CB C 30.533 0.082 1 275 30 36 LYS CG C 24.154 0.000 1 276 30 36 LYS CD C 27.674 0.000 1 277 30 36 LYS N N 121.196 0.021 1 278 31 37 LEU H H 7.948 0.012 1 279 31 37 LEU HA H 4.295 0.006 1 280 31 37 LEU HB2 H 1.191 0.022 2 281 31 37 LEU HB3 H 2.052 0.027 2 282 31 37 LEU HD1 H 0.798 0.009 2 283 31 37 LEU CA C 57.282 0.276 1 284 31 37 LEU CB C 42.192 0.119 1 285 31 37 LEU CG C 27.207 0.000 1 286 31 37 LEU N N 121.657 0.032 1 287 32 38 GLU H H 8.714 0.015 1 288 32 38 GLU HA H 4.354 0.008 1 289 32 38 GLU HB2 H 2.187 0.020 2 290 32 38 GLU HB3 H 2.287 0.000 2 291 32 38 GLU HG2 H 1.928 0.000 2 292 32 38 GLU HG3 H 1.928 0.000 2 293 32 38 GLU CA C 59.304 0.271 1 294 32 38 GLU CB C 29.339 0.190 1 295 32 38 GLU CG C 35.942 0.000 1 296 32 38 GLU N N 123.295 0.030 1 297 33 39 GLU H H 7.470 0.017 1 298 33 39 GLU HA H 3.986 0.019 1 299 33 39 GLU HB2 H 2.160 0.011 2 300 33 39 GLU HB3 H 2.408 0.015 2 301 33 39 GLU CA C 59.142 0.174 1 302 33 39 GLU CB C 29.602 0.096 1 303 33 39 GLU CG C 36.014 0.000 1 304 33 39 GLU N N 118.296 0.029 1 305 34 40 SER H H 8.054 0.010 1 306 34 40 SER HB2 H 3.919 0.004 2 307 34 40 SER HB3 H 4.252 0.022 2 308 34 40 SER CA C 61.150 0.114 1 309 34 40 SER CB C 63.578 0.072 1 310 34 40 SER N N 112.266 0.039 1 311 35 41 GLU H H 8.908 0.014 1 312 35 41 GLU HA H 4.367 0.021 1 313 35 41 GLU HB2 H 1.777 0.015 2 314 35 41 GLU HB3 H 2.246 0.011 2 315 35 41 GLU HG2 H 2.052 0.021 2 316 35 41 GLU HG3 H 2.347 0.000 2 317 35 41 GLU CA C 55.056 0.182 1 318 35 41 GLU CB C 30.544 0.039 1 319 35 41 GLU CG C 36.868 0.000 1 320 35 41 GLU N N 116.449 0.047 1 321 36 42 GLY H H 7.930 0.014 1 322 36 42 GLY HA2 H 3.899 0.014 2 323 36 42 GLY HA3 H 3.899 0.014 2 324 36 42 GLY CA C 46.424 0.199 1 325 36 42 GLY N N 108.168 0.037 1 326 37 43 ILE H H 6.446 0.016 1 327 37 43 ILE CA C 56.730 0.000 1 328 37 43 ILE CB C 41.219 0.000 1 329 37 43 ILE N N 120.326 0.033 1 330 38 44 PRO HA H 4.176 0.016 1 331 38 44 PRO HB2 H 1.881 0.032 2 332 38 44 PRO HB3 H 2.290 0.020 2 333 38 44 PRO HG2 H 2.018 0.001 2 334 38 44 PRO HG3 H 2.018 0.001 2 335 38 44 PRO HD2 H 3.564 0.000 2 336 38 44 PRO HD3 H 3.848 0.000 2 337 38 44 PRO CA C 63.018 0.149 1 338 38 44 PRO CB C 32.159 0.153 1 339 38 44 PRO CG C 27.645 0.000 1 340 38 44 PRO CD C 50.462 0.000 1 341 39 45 GLY H H 9.228 0.015 1 342 39 45 GLY HA2 H 3.579 0.019 2 343 39 45 GLY HA3 H 3.873 0.018 2 344 39 45 GLY CA C 47.606 0.072 1 345 39 45 GLY N N 111.710 0.044 1 346 40 46 ASN H H 8.325 0.011 1 347 40 46 ASN HA H 4.512 0.022 1 348 40 46 ASN HB2 H 2.765 0.016 2 349 40 46 ASN HB3 H 2.985 0.019 2 350 40 46 ASN CA C 54.473 0.181 1 351 40 46 ASN CB C 36.510 0.081 1 352 40 46 ASN N N 114.967 0.060 1 353 41 47 MET H H 8.247 0.012 1 354 41 47 MET HA H 4.557 0.015 1 355 41 47 MET HB2 H 1.994 0.004 2 356 41 47 MET HB3 H 2.344 0.009 2 357 41 47 MET HG2 H 2.453 0.000 2 358 41 47 MET HG3 H 2.535 0.032 2 359 41 47 MET CA C 54.886 0.205 1 360 41 47 MET CB C 32.632 0.029 1 361 41 47 MET CG C 32.280 0.000 1 362 41 47 MET N N 118.446 0.048 1 363 42 48 ILE H H 7.422 0.014 1 364 42 48 ILE HA H 4.096 0.023 1 365 42 48 ILE HB H 1.848 0.020 1 366 42 48 ILE HG2 H 0.740 0.028 1 367 42 48 ILE HD1 H 0.562 0.028 1 368 42 48 ILE CA C 62.749 0.033 1 369 42 48 ILE CB C 39.436 0.170 1 370 42 48 ILE CG1 C 27.773 0.000 1 371 42 48 ILE CG2 C 17.816 0.000 1 372 42 48 ILE N N 119.569 0.040 1 373 43 49 ARG H H 8.967 0.014 1 374 43 49 ARG HA H 4.580 0.023 1 375 43 49 ARG HB2 H 1.625 0.012 2 376 43 49 ARG HB3 H 1.758 0.013 2 377 43 49 ARG HG2 H 1.552 0.000 2 378 43 49 ARG HG3 H 1.552 0.000 2 379 43 49 ARG HD2 H 3.045 0.012 2 380 43 49 ARG HD3 H 3.045 0.012 2 381 43 49 ARG CA C 53.962 0.099 1 382 43 49 ARG CB C 31.029 0.058 1 383 43 49 ARG CG C 27.195 0.000 1 384 43 49 ARG CD C 43.112 0.000 1 385 43 49 ARG N N 127.179 0.032 1 386 44 50 LEU H H 8.603 0.012 1 387 44 50 LEU HA H 5.407 0.012 1 388 44 50 LEU HB2 H 1.066 0.005 2 389 44 50 LEU HB3 H 1.430 0.023 2 390 44 50 LEU HD1 H 0.698 0.008 2 391 44 50 LEU CA C 52.695 0.250 1 392 44 50 LEU CB C 46.655 0.333 1 393 44 50 LEU CG C 26.527 0.000 1 394 44 50 LEU CD2 C 23.810 0.000 2 395 44 50 LEU N N 122.639 0.030 1 396 45 51 VAL H H 8.960 0.013 1 397 45 51 VAL HA H 4.708 0.015 1 398 45 51 VAL HB H 1.834 0.016 1 399 45 51 VAL HG1 H 0.715 0.020 2 400 45 51 VAL CA C 60.583 0.146 1 401 45 51 VAL CB C 34.601 0.154 1 402 45 51 VAL CG1 C 20.996 0.000 2 403 45 51 VAL N N 121.931 0.044 1 404 46 52 TYR H H 8.879 0.016 1 405 46 52 TYR HA H 5.089 0.015 1 406 46 52 TYR HB2 H 2.566 0.026 2 407 46 52 TYR HB3 H 2.608 0.013 2 408 46 52 TYR CA C 56.075 0.180 1 409 46 52 TYR CB C 41.669 0.193 1 410 46 52 TYR N N 126.384 0.034 1 411 47 53 GLN H H 9.323 0.014 1 412 47 53 GLN HA H 3.656 0.017 1 413 47 53 GLN HB2 H 1.634 0.029 2 414 47 53 GLN HB3 H 1.882 0.016 2 415 47 53 GLN HG2 H 1.177 0.015 2 416 47 53 GLN HG3 H 1.177 0.015 2 417 47 53 GLN CA C 56.274 0.154 1 418 47 53 GLN CB C 25.441 0.080 1 419 47 53 GLN CG C 32.889 0.000 1 420 47 53 GLN N N 127.041 0.037 1 421 48 54 GLY H H 8.358 0.012 1 422 48 54 GLY HA2 H 3.423 0.016 2 423 48 54 GLY HA3 H 4.065 0.015 2 424 48 54 GLY CA C 45.373 0.109 1 425 48 54 GLY N N 102.991 0.074 1 426 49 55 LYS H H 7.819 0.015 1 427 49 55 LYS HA H 4.617 0.019 1 428 49 55 LYS HB2 H 1.446 0.020 2 429 49 55 LYS HB3 H 1.852 0.025 2 430 49 55 LYS HE2 H 3.096 0.000 2 431 49 55 LYS HE3 H 3.053 0.001 2 432 49 55 LYS CA C 54.340 0.228 1 433 49 55 LYS CB C 34.201 0.079 1 434 49 55 LYS CG C 24.153 0.000 1 435 49 55 LYS CD C 29.026 0.000 1 436 49 55 LYS N N 121.595 0.032 1 437 50 56 GLN H H 8.757 0.012 1 438 50 56 GLN HA H 4.585 0.021 1 439 50 56 GLN HB2 H 1.993 0.015 2 440 50 56 GLN HB3 H 2.320 0.018 2 441 50 56 GLN CA C 55.778 0.030 1 442 50 56 GLN CB C 28.701 0.194 1 443 50 56 GLN CG C 34.664 0.000 1 444 50 56 GLN N N 122.484 0.068 1 445 51 57 LEU H H 8.442 0.012 1 446 51 57 LEU HA H 4.287 0.019 1 447 51 57 LEU HB2 H 0.999 0.008 2 448 51 57 LEU HB3 H 1.363 0.017 2 449 51 57 LEU HG H 1.272 0.004 1 450 51 57 LEU CA C 54.139 0.139 1 451 51 57 LEU CB C 42.225 0.132 1 452 51 57 LEU CD1 C 25.107 0.000 2 453 51 57 LEU CD2 C 20.660 0.000 2 454 51 57 LEU N N 125.130 0.016 1 455 52 58 GLU H H 8.125 0.012 1 456 52 58 GLU HA H 4.459 0.012 1 457 52 58 GLU HB2 H 1.951 0.016 2 458 52 58 GLU HB3 H 2.241 0.000 2 459 52 58 GLU HG2 H 2.296 0.011 2 460 52 58 GLU HG3 H 2.296 0.011 2 461 52 58 GLU CA C 56.110 0.182 1 462 52 58 GLU CB C 31.046 0.162 1 463 52 58 GLU CG C 36.202 0.000 1 464 52 58 GLU N N 122.548 0.049 1 465 53 59 ASP H H 8.346 0.012 1 466 53 59 ASP HA H 4.145 0.017 1 467 53 59 ASP HB2 H 2.571 0.019 2 468 53 59 ASP HB3 H 2.571 0.019 2 469 53 59 ASP CA C 57.699 0.166 1 470 53 59 ASP CB C 41.011 0.149 1 471 53 59 ASP N N 122.235 0.065 1 472 54 60 GLU H H 8.756 0.012 1 473 54 60 GLU HA H 4.315 0.014 1 474 54 60 GLU HB2 H 2.009 0.017 2 475 54 60 GLU HB3 H 2.126 0.020 2 476 54 60 GLU HG2 H 2.266 0.000 2 477 54 60 GLU HG3 H 2.266 0.000 2 478 54 60 GLU CA C 57.336 0.118 1 479 54 60 GLU CB C 29.042 0.286 1 480 54 60 GLU CG C 36.296 0.000 1 481 54 60 GLU N N 113.128 0.038 1 482 55 61 LYS H H 7.677 0.012 1 483 55 61 LYS HA H 4.251 0.021 1 484 55 61 LYS HB2 H 1.861 0.009 2 485 55 61 LYS HB3 H 2.306 0.013 2 486 55 61 LYS HG2 H 1.353 0.009 2 487 55 61 LYS HG3 H 1.544 0.000 2 488 55 61 LYS HD2 H 1.384 0.013 2 489 55 61 LYS HD3 H 1.384 0.013 2 490 55 61 LYS HE2 H 2.819 0.000 2 491 55 61 LYS HE3 H 2.819 0.000 2 492 55 61 LYS CA C 55.957 0.162 1 493 55 61 LYS CB C 32.944 0.269 1 494 55 61 LYS CG C 26.160 0.000 1 495 55 61 LYS CD C 28.973 0.000 1 496 55 61 LYS CE C 42.383 0.000 1 497 55 61 LYS N N 119.869 0.049 1 498 56 62 ARG H H 8.797 0.012 1 499 56 62 ARG HA H 4.724 0.016 1 500 56 62 ARG HB2 H 1.719 0.000 2 501 56 62 ARG HB3 H 1.587 0.016 2 502 56 62 ARG HG2 H 1.162 0.000 2 503 56 62 ARG HG3 H 0.835 0.009 2 504 56 62 ARG HD2 H 3.129 0.017 2 505 56 62 ARG HD3 H 3.330 0.018 2 506 56 62 ARG CB C 31.120 0.090 1 507 56 62 ARG CG C 43.428 0.000 1 508 56 62 ARG N N 117.724 0.083 1 509 57 63 LEU H H 8.728 0.009 1 510 57 63 LEU HA H 4.038 0.011 1 511 57 63 LEU HB2 H 1.388 0.013 2 512 57 63 LEU HB3 H 1.896 0.012 2 513 57 63 LEU HG H 1.595 0.008 1 514 57 63 LEU HD1 H 0.789 0.005 2 515 57 63 LEU CA C 59.424 0.262 1 516 57 63 LEU CB C 40.398 0.128 1 517 57 63 LEU CD1 C 25.789 0.000 2 518 57 63 LEU N N 123.223 0.039 1 519 58 64 LYS H H 8.681 0.010 1 520 58 64 LYS HA H 4.409 0.013 1 521 58 64 LYS HB2 H 1.601 0.026 2 522 58 64 LYS HB3 H 1.951 0.014 2 523 58 64 LYS HG2 H 1.182 0.018 2 524 58 64 LYS HG3 H 1.326 0.000 2 525 58 64 LYS HE2 H 2.788 0.000 2 526 58 64 LYS HE3 H 2.788 0.000 2 527 58 64 LYS CA C 57.834 0.165 1 528 58 64 LYS CB C 31.124 0.070 1 529 58 64 LYS CG C 23.285 0.000 1 530 58 64 LYS CD C 29.708 0.000 1 531 58 64 LYS CE C 41.229 0.000 1 532 58 64 LYS N N 114.073 0.039 1 533 59 65 ASP H H 7.862 0.015 1 534 59 65 ASP HA H 4.419 0.021 1 535 59 65 ASP HB2 H 2.736 0.016 2 536 59 65 ASP HB3 H 2.429 0.016 2 537 59 65 ASP CA C 56.506 0.242 1 538 59 65 ASP CB C 40.048 0.087 1 539 59 65 ASP N N 120.640 0.034 1 540 60 66 TYR H H 7.545 0.017 1 541 60 66 TYR HA H 4.616 0.018 1 542 60 66 TYR HB2 H 2.635 0.016 2 543 60 66 TYR HB3 H 3.206 0.017 2 544 60 66 TYR CA C 58.150 0.104 1 545 60 66 TYR CB C 39.329 0.125 1 546 60 66 TYR N N 117.775 0.064 1 547 61 67 GLN H H 8.155 0.011 1 548 61 67 GLN HA H 4.183 0.017 1 549 61 67 GLN HB2 H 2.181 0.018 2 550 61 67 GLN HB3 H 2.181 0.018 2 551 61 67 GLN HG2 H 2.318 0.000 2 552 61 67 GLN HG3 H 2.318 0.000 2 553 61 67 GLN CA C 56.617 0.000 1 554 61 67 GLN CB C 26.578 0.226 1 555 61 67 GLN CG C 34.106 0.000 1 556 61 67 GLN N N 117.450 0.049 1 557 62 68 MET H H 7.997 0.012 1 558 62 68 MET HA H 4.470 0.014 1 559 62 68 MET HB2 H 1.823 0.023 2 560 62 68 MET HG2 H 2.222 0.020 2 561 62 68 MET HG3 H 2.351 0.016 2 562 62 68 MET CA C 55.767 0.034 1 563 62 68 MET CB C 33.105 0.152 1 564 62 68 MET CG C 31.870 0.000 1 565 62 68 MET N N 120.193 0.029 1 566 63 69 SER H H 8.073 0.006 1 567 63 69 SER HA H 4.530 0.015 1 568 63 69 SER HB2 H 3.890 0.001 2 569 63 69 SER HB3 H 3.867 0.017 2 570 63 69 SER CA C 57.654 0.154 1 571 63 69 SER CB C 64.803 0.122 1 572 63 69 SER N N 116.722 0.036 1 573 64 70 ALA H H 8.492 0.012 1 574 64 70 ALA HA H 4.256 0.017 1 575 64 70 ALA HB H 1.435 0.016 1 576 64 70 ALA CA C 53.566 0.140 1 577 64 70 ALA CB C 18.242 0.159 1 578 64 70 ALA N N 123.286 0.093 1 579 65 71 GLY H H 8.907 0.015 1 580 65 71 GLY HA2 H 3.539 0.019 2 581 65 71 GLY HA3 H 4.145 0.021 2 582 65 71 GLY CA C 45.127 0.177 1 583 65 71 GLY N N 110.294 0.023 1 584 66 72 ALA H H 7.572 0.016 1 585 66 72 ALA HA H 4.288 0.012 1 586 66 72 ALA HB H 1.338 0.017 1 587 66 72 ALA CA C 52.876 0.218 1 588 66 72 ALA CB C 19.826 0.122 1 589 66 72 ALA N N 123.229 0.029 1 590 67 73 THR H H 8.253 0.013 1 591 67 73 THR HA H 5.060 0.016 1 592 67 73 THR HB H 3.954 0.007 1 593 67 73 THR HG2 H 0.917 0.012 1 594 67 73 THR CA C 61.493 0.129 1 595 67 73 THR CB C 71.022 0.156 1 596 67 73 THR CG2 C 20.605 0.000 1 597 67 73 THR N N 116.161 0.034 1 598 68 74 PHE H H 8.989 0.012 1 599 68 74 PHE HA H 5.369 0.017 1 600 68 74 PHE HB3 H 3.002 0.015 2 601 68 74 PHE CA C 54.013 0.080 1 602 68 74 PHE CB C 40.893 0.253 1 603 68 74 PHE N N 124.518 0.051 1 604 69 75 HIS H H 9.300 0.013 1 605 69 75 HIS HA H 5.146 0.015 1 606 69 75 HIS HB2 H 2.939 0.023 2 607 69 75 HIS HB3 H 3.110 0.022 2 608 69 75 HIS CA C 56.131 0.149 1 609 69 75 HIS CB C 31.584 0.075 1 610 69 75 HIS N N 120.835 0.053 1 611 70 76 MET H H 8.563 0.013 1 612 70 76 MET HA H 5.199 0.015 1 613 70 76 MET HB2 H 1.566 0.020 2 614 70 76 MET HB3 H 1.881 0.012 2 615 70 76 MET HG2 H 2.083 0.014 2 616 70 76 MET HG3 H 2.372 0.016 2 617 70 76 MET CA C 54.683 0.256 1 618 70 76 MET CB C 35.426 0.208 1 619 70 76 MET CG C 32.185 0.000 1 620 70 76 MET CE C 27.061 0.000 1 621 70 76 MET N N 122.731 0.034 1 622 71 77 VAL H H 9.118 0.017 1 623 71 77 VAL HA H 4.277 0.015 1 624 71 77 VAL HB H 1.845 0.024 1 625 71 77 VAL HG1 H 0.798 0.018 2 626 71 77 VAL CA C 61.343 0.207 1 627 71 77 VAL CB C 34.656 0.085 1 628 71 77 VAL CG2 C 20.651 0.000 2 629 71 77 VAL N N 128.801 0.070 1 630 72 78 VAL H H 8.544 0.011 1 631 72 78 VAL HA H 4.618 0.016 1 632 72 78 VAL HB H 1.962 0.022 1 633 72 78 VAL HG1 H 0.896 0.018 2 634 72 78 VAL CA C 61.485 0.210 1 635 72 78 VAL CB C 32.311 0.140 1 636 72 78 VAL CG1 C 21.494 0.000 2 637 72 78 VAL N N 125.528 0.052 1 638 73 79 ALA H H 8.957 0.008 1 639 73 79 ALA HA H 4.323 0.000 1 640 73 79 ALA HB H 1.304 0.018 1 641 73 79 ALA CA C 51.746 0.094 1 642 73 79 ALA CB C 19.445 0.189 1 643 73 79 ALA N N 131.664 0.027 1 644 74 80 LEU H H 8.193 0.004 1 645 74 80 LEU HA H 4.298 0.000 1 646 74 80 LEU HB2 H 1.574 0.014 2 647 74 80 LEU HD1 H 0.877 0.024 2 648 74 80 LEU CA C 55.191 0.069 1 649 74 80 LEU CB C 42.356 0.102 1 650 74 80 LEU CG C 27.318 0.000 1 651 74 80 LEU CD1 C 24.347 0.000 2 652 74 80 LEU N N 120.722 0.032 1 653 75 81 ARG H H 8.213 0.004 1 654 75 81 ARG HA H 4.294 0.018 1 655 75 81 ARG HB2 H 1.587 0.018 2 656 75 81 ARG HB3 H 1.791 0.027 2 657 75 81 ARG HD2 H 3.170 0.026 2 658 75 81 ARG HD3 H 3.170 0.026 2 659 75 81 ARG CA C 55.604 0.121 1 660 75 81 ARG CB C 30.856 0.085 1 661 75 81 ARG CG C 27.125 0.000 1 662 75 81 ARG CD C 43.378 0.000 1 663 75 81 ARG N N 120.902 0.020 1 664 76 82 ALA H H 8.471 0.007 1 665 76 82 ALA HA H 4.278 0.018 1 666 76 82 ALA HB H 1.371 0.016 1 667 76 82 ALA CA C 52.478 0.188 1 668 76 82 ALA CB C 18.813 0.041 1 669 76 82 ALA N N 125.815 0.043 1 670 77 83 GLY H H 8.506 0.011 1 671 77 83 GLY HA2 H 3.949 0.015 2 672 77 83 GLY HA3 H 4.172 0.000 2 673 77 83 GLY CA C 45.336 0.152 1 674 77 83 GLY N N 109.110 0.037 1 675 78 84 CYS H H 7.847 0.006 1 676 78 84 CYS CA C 59.869 0.000 1 677 78 84 CYS CB C 28.666 0.000 1 678 78 84 CYS N N 122.756 0.019 1 stop_ save_