data_36175 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; A-ubiquitin like protein from the trypanosoma brucei ; _BMRB_accession_number 36175 _BMRB_flat_file_name bmr36175.str _Entry_type original _Submission_date 2018-04-02 _Accession_date 2018-10-01 _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 Mi J. . . 2 Tu X. M. . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 424 "13C chemical shifts" 236 "15N chemical shifts" 81 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2019-03-06 update BMRB 'update entry citation' 2018-12-07 original author 'original release' stop_ _Original_release_date 2018-10-01 save_ ############################# # Citation for this entry # ############################# save_citation_1 _Saveframe_category entry_citation _Citation_full . _Citation_title ; Solution structure of a ubiquitin-like protein from Trypanosoma brucei ; _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 30058168 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Mi J. . . 2 Zhang J. . . 3 Liao S. . . 4 Tu X. . . stop_ _Journal_abbreviation 'Protein Sci.' _Journal_name_full 'Protein science : a publication of the Protein Society' _Journal_volume 27 _Journal_issue 10 _Journal_ASTM PRCIEI _Journal_ISSN 1469-896X _Journal_CSD 0795 _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 1831 _Page_last 1836 _Year 2018 _Details . save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name 'ubiquintin-like protein' _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label entity_1 $entity_1 stop_ _System_molecular_weight . _System_oligomer_state ? _System_paramagnetic no _System_thiol_state . _Database_query_date . _Details . save_ ######################## # Monomeric polymers # ######################## save_entity_1 _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common 'ubiquintin-like protein' _Molecular_mass 9141.467 _Mol_thiol_state 'all free' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 81 _Mol_residue_sequence ; MSETIPVSVQCCEGRFELSV DSNHTLRDVLRQFKREVAAL DPINLEEYVVNHEGKLLLDD SVTLQTVGVKKDSVFVLVRK A ; loop_ _Residue_seq_code _Residue_author_seq_code _Residue_label 1 10 MET 2 11 SER 3 12 GLU 4 13 THR 5 14 ILE 6 15 PRO 7 16 VAL 8 17 SER 9 18 VAL 10 19 GLN 11 20 CYS 12 21 CYS 13 22 GLU 14 23 GLY 15 24 ARG 16 25 PHE 17 26 GLU 18 27 LEU 19 28 SER 20 29 VAL 21 30 ASP 22 31 SER 23 32 ASN 24 33 HIS 25 34 THR 26 35 LEU 27 36 ARG 28 37 ASP 29 38 VAL 30 39 LEU 31 40 ARG 32 41 GLN 33 42 PHE 34 43 LYS 35 44 ARG 36 45 GLU 37 46 VAL 38 47 ALA 39 48 ALA 40 49 LEU 41 50 ASP 42 51 PRO 43 52 ILE 44 53 ASN 45 54 LEU 46 55 GLU 47 56 GLU 48 57 TYR 49 58 VAL 50 59 VAL 51 60 ASN 52 61 HIS 53 62 GLU 54 63 GLY 55 64 LYS 56 65 LEU 57 66 LEU 58 67 LEU 59 68 ASP 60 69 ASP 61 70 SER 62 71 VAL 63 72 THR 64 73 LEU 65 74 GLN 66 75 THR 67 76 VAL 68 77 GLY 69 78 VAL 70 79 LYS 71 80 LYS 72 81 ASP 73 82 SER 74 83 VAL 75 84 PHE 76 85 VAL 77 86 LEU 78 87 VAL 79 88 ARG 80 89 LYS 81 90 ALA stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date . save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species _Gene_mnemonic $entity_1 'Trypanosoma brucei' 185431 Metazoa . Trypanosoma brucei Tb927.6.3140 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_1 'recombinant technology' . . . . . stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Saveframe_category sample _Sample_type solution _Details '0.5 mM [U-99% 13C; U-99% 15N] ubiquitin-like protein, 90% H2O/10% D2O' loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $entity_1 0.5 mM '[U-99% 13C; U-99% 15N]' H2O 90 % 'natural abundance' D2O 10 % [U-2H] stop_ save_ ############################ # Computer software used # ############################ save_software_1 _Saveframe_category software _Name CYANA _Version 3.0 loop_ _Vendor _Address _Electronic_address 'Guntert, Mumenthaler and Wuthrich' . . stop_ loop_ _Task 'structure calculation' stop_ _Details . save_ save_software_2 _Saveframe_category software _Name NMRDraw _Version . loop_ _Vendor _Address _Electronic_address 'Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax' . . stop_ loop_ _Task 'data analysis' stop_ _Details . save_ save_software_3 _Saveframe_category software _Name SPARKY _Version . loop_ _Vendor _Address _Electronic_address Goddard . . stop_ loop_ _Task 'chemical shift assignment' 'peak picking' stop_ _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_NMR_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model DMX _Field_strength 600 _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_3D_CBCA(CO)NH_2 _Saveframe_category NMR_applied_experiment _Experiment_name '3D CBCA(CO)NH' _Sample_label $sample_1 save_ save_3D_HNCACB_3 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCACB' _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_1H-15N_NOESY_5 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-15N NOESY' _Sample_label $sample_1 save_ save_3D_1H-13C_NOESY_6 _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' 120 . mM pH 6.5 . pH pressure 1 . atm temperature 293 . K stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chem_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 carbons' ppm 0 internal indirect . . . 0.25144953 DSS H 1 'methyl carbons' ppm 0 internal direct . . . 1.0 DSS N 15 'methyl carbons' ppm 0 internal indirect . . . 0.10132912 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_chemical_shifts_1 _Saveframe_category assigned_chemical_shifts _Details . loop_ _Experiment_label '2D 1H-15N HSQC' '3D CBCA(CO)NH' '3D HNCACB' '3D C(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 $chem_shift_reference_1 _Mol_system_component_name entity_1 _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 10 1 MET HA H 4.450 0.005 . 2 10 1 MET HB2 H 2.021 0.000 . 3 10 1 MET HB3 H 2.021 0.000 . 4 10 1 MET HG2 H 2.525 0.000 . 5 10 1 MET HG3 H 2.525 0.000 . 6 10 1 MET HE H 2.045 0.000 . 7 10 1 MET CA C 54.678 0.132 . 8 10 1 MET CB C 31.938 0.082 . 9 10 1 MET CG C 30.847 0.000 . 10 10 1 MET CE C 16.344 0.000 . 11 11 2 SER H H 8.268 0.005 . 12 11 2 SER HB2 H 3.783 0.003 . 13 11 2 SER HB3 H 3.783 0.003 . 14 11 2 SER CA C 57.435 0.031 . 15 11 2 SER CB C 63.117 0.062 . 16 11 2 SER N N 117.145 0.018 . 17 12 3 GLU H H 8.507 0.007 . 18 12 3 GLU HA H 4.420 0.001 . 19 12 3 GLU HB2 H 2.026 0.002 . 20 12 3 GLU HB3 H 1.869 0.000 . 21 12 3 GLU HG2 H 2.172 0.000 . 22 12 3 GLU HG3 H 2.172 0.000 . 23 12 3 GLU CA C 55.360 0.060 . 24 12 3 GLU CB C 30.152 0.053 . 25 12 3 GLU CG C 35.220 0.000 . 26 12 3 GLU N N 123.456 0.056 . 27 13 4 THR H H 8.138 0.005 . 28 13 4 THR HA H 4.826 0.007 . 29 13 4 THR HB H 3.839 0.003 . 30 13 4 THR HG2 H 0.905 0.004 . 31 13 4 THR CA C 60.226 0.042 . 32 13 4 THR CB C 69.481 0.019 . 33 13 4 THR CG2 C 20.558 0.000 . 34 13 4 THR N N 116.741 0.035 . 35 14 5 ILE H H 9.291 0.006 . 36 14 5 ILE CA C 56.795 0.000 . 37 14 5 ILE CB C 40.975 0.000 . 38 14 5 ILE N N 120.330 0.029 . 39 15 6 PRO HA H 5.076 0.006 . 40 15 6 PRO HB2 H 1.988 0.005 . 41 15 6 PRO HB3 H 1.988 0.005 . 42 15 6 PRO HG2 H 2.292 0.006 . 43 15 6 PRO HG3 H 2.292 0.006 . 44 15 6 PRO HD2 H 3.821 0.000 . 45 15 6 PRO HD3 H 3.821 0.000 . 46 15 6 PRO CA C 61.411 0.056 . 47 15 6 PRO CB C 30.354 0.148 . 48 15 6 PRO CG C 26.521 0.000 . 49 15 6 PRO CD C 50.140 0.000 . 50 16 7 VAL H H 8.820 0.007 . 51 16 7 VAL HA H 4.746 0.005 . 52 16 7 VAL HB H 1.955 0.008 . 53 16 7 VAL HG1 H 0.756 0.003 . 54 16 7 VAL HG1 H 0.777 0.000 . 55 16 7 VAL HG1 H 0.756 0.003 . 56 16 7 VAL HG2 H 0.677 0.000 . 57 16 7 VAL CA C 55.918 7.005 . 58 16 7 VAL CB C 35.155 0.116 . 59 16 7 VAL CG1 C 20.526 0.000 . 60 16 7 VAL CG2 C 19.088 0.000 . 61 16 7 VAL N N 118.719 0.036 . 62 17 8 SER H H 8.429 0.009 . 63 17 8 SER HA H 6.055 0.006 . 64 17 8 SER HB2 H 3.518 0.007 . 65 17 8 SER HB3 H 3.540 0.000 . 66 17 8 SER CA C 56.027 0.096 . 67 17 8 SER CB C 66.007 0.133 . 68 17 8 SER N N 113.660 0.055 . 69 18 9 VAL H H 8.784 0.005 . 70 18 9 VAL HA H 4.912 0.011 . 71 18 9 VAL HB H 1.317 0.012 . 72 18 9 VAL HG1 H 0.516 0.000 . 73 18 9 VAL HG1 H 0.516 0.004 . 74 18 9 VAL HG1 H 0.516 0.000 . 75 18 9 VAL HG2 H 0.099 0.002 . 76 18 9 VAL CA C 59.292 0.035 . 77 18 9 VAL CB C 33.867 0.099 . 78 18 9 VAL CG1 C 20.086 0.178 . 79 18 9 VAL CG2 C 20.086 0.178 . 80 18 9 VAL N N 120.513 0.030 . 81 19 10 GLN H H 8.959 0.005 . 82 19 10 GLN HA H 5.112 0.004 . 83 19 10 GLN HB2 H 1.885 0.002 . 84 19 10 GLN HB3 H 1.693 0.001 . 85 19 10 GLN HG2 H 2.258 0.000 . 86 19 10 GLN HG3 H 2.137 0.000 . 87 19 10 GLN CA C 53.118 0.196 . 88 19 10 GLN CB C 31.312 0.049 . 89 19 10 GLN CG C 32.944 0.000 . 90 19 10 GLN N N 126.518 0.044 . 91 20 11 CYS H H 8.967 0.006 . 92 20 11 CYS CA C 55.327 0.000 . 93 20 11 CYS CB C 30.267 0.000 . 94 20 11 CYS N N 120.750 0.032 . 95 22 13 GLU H H 8.059 0.002 . 96 22 13 GLU HA H 4.345 0.003 . 97 22 13 GLU HB2 H 2.373 0.000 . 98 22 13 GLU HB3 H 1.767 0.001 . 99 22 13 GLU HG2 H 2.357 0.001 . 100 22 13 GLU HG3 H 2.357 0.001 . 101 22 13 GLU CA C 55.918 0.000 . 102 22 13 GLU CB C 28.899 0.000 . 103 22 13 GLU CG C 35.293 0.000 . 104 22 13 GLU N N 117.681 0.023 . 105 23 14 GLY H H 7.743 0.006 . 106 23 14 GLY HA2 H 4.103 0.001 . 107 23 14 GLY HA3 H 3.647 0.003 . 108 23 14 GLY CA C 43.715 0.098 . 109 23 14 GLY N N 107.579 0.024 . 110 24 15 ARG H H 7.505 0.009 . 111 24 15 ARG HA H 5.266 0.008 . 112 24 15 ARG HB2 H 1.507 0.006 . 113 24 15 ARG HB3 H 1.507 0.006 . 114 24 15 ARG HD2 H 3.058 0.000 . 115 24 15 ARG HD3 H 3.058 0.000 . 116 24 15 ARG CA C 53.215 0.114 . 117 24 15 ARG CB C 31.582 0.080 . 118 24 15 ARG CG C 26.880 0.000 . 119 24 15 ARG CD C 42.660 0.000 . 120 24 15 ARG N N 120.238 0.054 . 121 25 16 PHE H H 8.703 0.009 . 122 25 16 PHE HA H 4.935 0.008 . 123 25 16 PHE HB2 H 3.387 0.007 . 124 25 16 PHE HB3 H 2.693 0.004 . 125 25 16 PHE HD1 H 7.104 0.006 . 126 25 16 PHE HD2 H 6.933 0.001 . 127 25 16 PHE CA C 55.924 0.055 . 128 25 16 PHE CB C 42.071 0.082 . 129 25 16 PHE N N 125.150 0.068 . 130 26 17 GLU H H 8.788 0.005 . 131 26 17 GLU HA H 5.422 0.008 . 132 26 17 GLU HB2 H 1.965 0.003 . 133 26 17 GLU HB3 H 1.965 0.003 . 134 26 17 GLU HG2 H 2.110 0.002 . 135 26 17 GLU HG3 H 2.110 0.002 . 136 26 17 GLU CA C 54.547 0.123 . 137 26 17 GLU CB C 32.524 0.054 . 138 26 17 GLU CG C 36.096 0.000 . 139 26 17 GLU N N 124.365 0.035 . 140 27 18 LEU H H 8.908 0.005 . 141 27 18 LEU HA H 4.492 0.009 . 142 27 18 LEU HB2 H 0.954 0.002 . 143 27 18 LEU HB3 H 0.837 0.000 . 144 27 18 LEU HG H 1.026 0.002 . 145 27 18 LEU HD1 H 0.605 0.011 . 146 27 18 LEU HD1 H 0.572 0.000 . 147 27 18 LEU HD2 H 0.883 0.000 . 148 27 18 LEU HD2 H 0.045 0.010 . 149 27 18 LEU HD2 H 0.883 0.000 . 150 27 18 LEU CA C 53.549 0.025 . 151 27 18 LEU CB C 46.281 0.055 . 152 27 18 LEU CD1 C 23.545 0.000 . 153 27 18 LEU CD2 C 22.826 0.041 . 154 27 18 LEU N N 125.120 0.040 . 155 28 19 SER H H 8.145 0.007 . 156 28 19 SER HA H 5.031 0.007 . 157 28 19 SER HB2 H 3.569 0.007 . 158 28 19 SER HB3 H 3.457 0.008 . 159 28 19 SER CA C 57.396 0.097 . 160 28 19 SER CB C 62.432 0.079 . 161 28 19 SER N N 116.274 0.076 . 162 29 20 VAL H H 8.917 0.005 . 163 29 20 VAL HA H 4.168 0.006 . 164 29 20 VAL HB H 2.014 0.006 . 165 29 20 VAL HG1 H 0.694 0.009 . 166 29 20 VAL CA C 57.216 0.000 . 167 29 20 VAL CB C 34.428 0.060 . 168 29 20 VAL CG1 C 20.467 0.000 . 169 29 20 VAL CG2 C 18.267 0.000 . 170 29 20 VAL N N 118.738 0.023 . 171 30 21 ASP H H 8.355 0.007 . 172 30 21 ASP HA H 4.580 0.007 . 173 30 21 ASP HB2 H 1.872 0.004 . 174 30 21 ASP HB3 H 1.539 0.009 . 175 30 21 ASP CA C 52.261 0.000 . 176 30 21 ASP CB C 39.965 0.063 . 177 30 21 ASP N N 121.865 0.045 . 178 31 22 SER H H 8.701 0.005 . 179 31 22 SER HA H 4.015 0.012 . 180 31 22 SER HB2 H 3.943 0.000 . 181 31 22 SER HB3 H 3.759 0.015 . 182 31 22 SER CA C 59.812 0.060 . 183 31 22 SER CB C 62.217 0.030 . 184 31 22 SER N N 120.693 0.019 . 185 32 23 ASN H H 9.038 0.006 . 186 32 23 ASN HA H 4.841 0.008 . 187 32 23 ASN HB2 H 2.798 0.007 . 188 32 23 ASN HB3 H 2.754 0.007 . 189 32 23 ASN HD21 H 7.929 0.000 . 190 32 23 ASN HD22 H 6.858 0.009 . 191 32 23 ASN CA C 52.716 0.118 . 192 32 23 ASN CB C 38.226 0.036 . 193 32 23 ASN N N 118.219 0.031 . 194 32 23 ASN ND2 N 114.422 0.031 . 195 33 24 HIS H H 7.881 0.006 . 196 33 24 HIS HA H 4.919 0.011 . 197 33 24 HIS HB2 H 3.394 0.005 . 198 33 24 HIS HB3 H 3.211 0.006 . 199 33 24 HIS HD2 H 6.826 0.000 . 200 33 24 HIS CA C 53.357 0.082 . 201 33 24 HIS CB C 30.976 0.016 . 202 33 24 HIS N N 118.560 0.048 . 203 34 25 THR H H 8.758 0.004 . 204 34 25 THR HA H 4.413 0.000 . 205 34 25 THR HG2 H 1.236 0.008 . 206 34 25 THR CA C 59.599 0.099 . 207 34 25 THR CB C 70.471 0.015 . 208 34 25 THR N N 109.121 0.030 . 209 35 26 LEU H H 8.417 0.005 . 210 35 26 LEU HA H 3.831 0.009 . 211 35 26 LEU HB2 H 1.722 0.004 . 212 35 26 LEU HB3 H 1.186 0.017 . 213 35 26 LEU HG H 1.435 0.001 . 214 35 26 LEU HD1 H 0.685 0.003 . 215 35 26 LEU HD2 H 0.427 0.005 . 216 35 26 LEU CA C 57.422 0.036 . 217 35 26 LEU CB C 40.924 0.040 . 218 35 26 LEU CG C 25.263 0.000 . 219 35 26 LEU CD1 C 21.861 0.000 . 220 35 26 LEU CD2 C 22.518 0.000 . 221 35 26 LEU N N 121.858 0.083 . 222 36 27 ARG H H 8.780 0.005 . 223 36 27 ARG HA H 3.867 0.008 . 224 36 27 ARG HB2 H 1.718 0.001 . 225 36 27 ARG HB3 H 1.524 0.007 . 226 36 27 ARG HG2 H 1.360 0.002 . 227 36 27 ARG HG3 H 1.357 0.000 . 228 36 27 ARG HD2 H 3.077 0.007 . 229 36 27 ARG HD3 H 3.077 0.007 . 230 36 27 ARG CA C 58.598 0.049 . 231 36 27 ARG CB C 29.199 0.050 . 232 36 27 ARG CG C 25.390 0.000 . 233 36 27 ARG CD C 42.499 0.000 . 234 36 27 ARG N N 117.150 0.024 . 235 37 28 ASP H H 7.783 0.006 . 236 37 28 ASP HA H 4.347 0.013 . 237 37 28 ASP HB2 H 2.805 0.007 . 238 37 28 ASP HB3 H 2.526 0.005 . 239 37 28 ASP CA C 56.654 0.086 . 240 37 28 ASP CB C 38.965 0.135 . 241 37 28 ASP N N 119.498 0.053 . 242 38 29 VAL H H 8.694 0.006 . 243 38 29 VAL HA H 3.898 0.010 . 244 38 29 VAL HB H 2.228 0.006 . 245 38 29 VAL HG1 H 1.160 0.004 . 246 38 29 VAL HG2 H 1.004 0.009 . 247 38 29 VAL CA C 65.959 0.065 . 248 38 29 VAL CB C 30.634 0.023 . 249 38 29 VAL CG1 C 23.051 0.000 . 250 38 29 VAL CG2 C 20.555 0.000 . 251 38 29 VAL N N 124.037 0.031 . 252 39 30 LEU H H 8.755 0.008 . 253 39 30 LEU HA H 4.090 0.006 . 254 39 30 LEU HB2 H 1.964 0.009 . 255 39 30 LEU HB3 H 1.390 0.004 . 256 39 30 LEU HG H 1.680 0.000 . 257 39 30 LEU HD1 H 0.749 0.000 . 258 39 30 LEU HD2 H 0.542 0.010 . 259 39 30 LEU CA C 57.798 0.055 . 260 39 30 LEU CB C 40.086 0.057 . 261 39 30 LEU CG C 24.340 0.000 . 262 39 30 LEU N N 120.651 0.050 . 263 40 31 ARG H H 7.853 0.008 . 264 40 31 ARG HA H 3.884 0.003 . 265 40 31 ARG HB2 H 1.908 0.000 . 266 40 31 ARG HB3 H 1.908 0.000 . 267 40 31 ARG HG2 H 1.627 0.010 . 268 40 31 ARG HG3 H 1.627 0.010 . 269 40 31 ARG HD2 H 3.129 0.002 . 270 40 31 ARG HD3 H 3.129 0.002 . 271 40 31 ARG CA C 58.934 0.070 . 272 40 31 ARG CB C 28.753 0.015 . 273 40 31 ARG CG C 33.006 7.786 . 274 40 31 ARG N N 117.474 0.056 . 275 41 32 GLN H H 8.188 0.008 . 276 41 32 GLN HA H 3.869 0.008 . 277 41 32 GLN HB2 H 2.430 0.000 . 278 41 32 GLN HB3 H 2.053 0.009 . 279 41 32 GLN HG2 H 1.975 0.003 . 280 41 32 GLN HG3 H 1.975 0.003 . 281 41 32 GLN HE21 H 6.522 0.001 . 282 41 32 GLN HE22 H 7.474 0.001 . 283 41 32 GLN CA C 58.781 0.043 . 284 41 32 GLN CB C 26.100 0.093 . 285 41 32 GLN CG C 31.448 0.000 . 286 41 32 GLN N N 123.432 0.042 . 287 41 32 GLN NE2 N 109.125 0.042 . 288 42 33 PHE H H 8.490 0.007 . 289 42 33 PHE HA H 3.878 0.005 . 290 42 33 PHE HB2 H 3.233 0.006 . 291 42 33 PHE HB3 H 2.742 0.005 . 292 42 33 PHE HD1 H 7.153 0.005 . 293 42 33 PHE HD2 H 7.153 0.005 . 294 42 33 PHE HE1 H 7.010 0.000 . 295 42 33 PHE HE2 H 7.010 0.000 . 296 42 33 PHE CA C 59.329 6.621 . 297 42 33 PHE CB C 37.402 0.053 . 298 42 33 PHE N N 118.952 0.044 . 299 43 34 LYS H H 7.795 0.006 . 300 43 34 LYS HA H 3.833 0.003 . 301 43 34 LYS HB2 H 1.856 0.007 . 302 43 34 LYS HB3 H 1.856 0.007 . 303 43 34 LYS HG2 H 1.446 0.010 . 304 43 34 LYS HG3 H 1.446 0.010 . 305 43 34 LYS HD2 H 1.582 0.013 . 306 43 34 LYS HD3 H 1.582 0.013 . 307 43 34 LYS HE2 H 3.117 0.012 . 308 43 34 LYS HE3 H 3.117 0.012 . 309 43 34 LYS CA C 57.675 0.077 . 310 43 34 LYS CB C 30.669 0.084 . 311 43 34 LYS CG C 23.915 0.000 . 312 43 34 LYS CD C 27.309 0.000 . 313 43 34 LYS CE C 40.902 0.023 . 314 43 34 LYS N N 115.388 0.032 . 315 44 35 ARG H H 7.794 0.006 . 316 44 35 ARG HA H 4.106 0.005 . 317 44 35 ARG HB2 H 1.914 0.000 . 318 44 35 ARG HG2 H 1.745 0.000 . 319 44 35 ARG HD2 H 3.212 0.009 . 320 44 35 ARG CA C 57.696 0.000 . 321 44 35 ARG CB C 30.419 0.087 . 322 44 35 ARG CG C 26.630 0.000 . 323 44 35 ARG CD C 42.767 0.000 . 324 44 35 ARG N N 116.681 0.042 . 325 45 36 GLU H H 8.010 0.007 . 326 45 36 GLU HA H 4.261 0.005 . 327 45 36 GLU HB2 H 2.125 0.004 . 328 45 36 GLU HB3 H 1.779 0.000 . 329 45 36 GLU HG2 H 2.413 0.003 . 330 45 36 GLU HG3 H 2.188 0.000 . 331 45 36 GLU CA C 57.105 0.130 . 332 45 36 GLU CB C 30.327 0.049 . 333 45 36 GLU CG C 35.945 0.000 . 334 45 36 GLU N N 115.197 0.028 . 335 46 37 VAL H H 7.938 0.006 . 336 46 37 VAL HA H 4.083 0.007 . 337 46 37 VAL HB H 2.128 0.006 . 338 46 37 VAL HG1 H 0.846 0.004 . 339 46 37 VAL HG2 H 0.213 0.005 . 340 46 37 VAL CA C 60.629 0.052 . 341 46 37 VAL CB C 30.017 0.089 . 342 46 37 VAL CG1 C 19.700 0.000 . 343 46 37 VAL CG2 C 21.190 0.042 . 344 46 37 VAL N N 120.997 0.029 . 345 47 38 ALA H H 8.548 0.006 . 346 47 38 ALA HA H 4.034 0.002 . 347 47 38 ALA HB H 1.363 0.005 . 348 47 38 ALA HB H 1.362 0.000 . 349 47 38 ALA HB H 1.363 0.005 . 350 47 38 ALA CA C 54.418 0.110 . 351 47 38 ALA CB C 17.068 0.104 . 352 47 38 ALA N N 106.389 0.076 . 353 48 39 ALA H H 8.162 0.006 . 354 48 39 ALA HA H 4.014 0.008 . 355 48 39 ALA HB H 1.108 0.010 . 356 48 39 ALA CA C 52.672 0.031 . 357 48 39 ALA CB C 18.664 0.056 . 358 48 39 ALA N N 118.508 0.031 . 359 49 40 LEU H H 7.461 0.007 . 360 49 40 LEU HA H 4.179 0.003 . 361 49 40 LEU HB2 H 1.854 0.011 . 362 49 40 LEU HB3 H 1.428 0.008 . 363 49 40 LEU HG H 1.034 0.012 . 364 49 40 LEU HD1 H 0.668 0.005 . 365 49 40 LEU HD2 H 0.567 0.006 . 366 49 40 LEU CA C 53.078 0.023 . 367 49 40 LEU CB C 40.856 0.000 . 368 49 40 LEU N N 112.665 0.035 . 369 50 41 ASP H H 7.805 0.006 . 370 50 41 ASP HA H 4.398 0.003 . 371 50 41 ASP HB2 H 2.905 0.006 . 372 50 41 ASP HB3 H 2.587 0.007 . 373 50 41 ASP N N 123.559 0.031 . 374 51 42 PRO HA H 4.444 0.004 . 375 51 42 PRO HB2 H 2.267 0.007 . 376 51 42 PRO HB3 H 1.770 0.005 . 377 51 42 PRO HG2 H 1.874 0.004 . 378 51 42 PRO HG3 H 1.808 0.000 . 379 51 42 PRO HD2 H 3.501 0.007 . 380 51 42 PRO HD3 H 3.465 0.000 . 381 51 42 PRO CA C 63.788 0.082 . 382 51 42 PRO CB C 31.065 0.008 . 383 51 42 PRO CG C 26.357 0.000 . 384 51 42 PRO CD C 49.900 0.000 . 385 52 43 ILE H H 7.485 0.007 . 386 52 43 ILE HA H 3.935 0.005 . 387 52 43 ILE HB H 2.004 0.005 . 388 52 43 ILE HG12 H 1.233 0.008 . 389 52 43 ILE HG13 H 1.233 0.008 . 390 52 43 ILE HG2 H 0.526 0.004 . 391 52 43 ILE HD1 H 0.495 0.008 . 392 52 43 ILE CA C 59.182 0.055 . 393 52 43 ILE CB C 36.377 0.064 . 394 52 43 ILE CG1 C 26.124 0.000 . 395 52 43 ILE CG2 C 13.122 0.000 . 396 52 43 ILE CD1 C 16.236 0.066 . 397 52 43 ILE N N 118.390 0.022 . 398 53 44 ASN H H 8.673 0.007 . 399 53 44 ASN HA H 4.948 0.005 . 400 53 44 ASN HB2 H 3.087 0.009 . 401 53 44 ASN HB3 H 2.816 0.005 . 402 53 44 ASN HD21 H 7.088 0.000 . 403 53 44 ASN HD22 H 7.659 0.000 . 404 53 44 ASN CA C 50.440 0.078 . 405 53 44 ASN CB C 36.844 0.044 . 406 53 44 ASN N N 125.921 0.062 . 407 53 44 ASN ND2 N 111.968 0.020 . 408 54 45 LEU H H 8.963 0.005 . 409 54 45 LEU HA H 3.933 0.005 . 410 54 45 LEU HB2 H 1.834 0.000 . 411 54 45 LEU HB3 H 1.505 0.000 . 412 54 45 LEU HG H 1.525 0.002 . 413 54 45 LEU HD1 H 0.876 0.004 . 414 54 45 LEU CA C 57.410 0.048 . 415 54 45 LEU CB C 40.682 0.045 . 416 54 45 LEU CG C 25.166 0.000 . 417 54 45 LEU CD1 C 21.558 0.000 . 418 54 45 LEU N N 124.981 0.018 . 419 55 46 GLU H H 8.408 0.006 . 420 55 46 GLU HA H 4.237 0.005 . 421 55 46 GLU HB2 H 2.036 0.000 . 422 55 46 GLU HB3 H 2.000 0.002 . 423 55 46 GLU HG3 H 2.340 0.004 . 424 55 46 GLU CA C 57.496 0.094 . 425 55 46 GLU CB C 28.224 0.033 . 426 55 46 GLU CG C 35.524 0.000 . 427 55 46 GLU N N 115.807 0.020 . 428 56 47 GLU H H 7.974 0.006 . 429 56 47 GLU HA H 4.248 0.003 . 430 56 47 GLU HB2 H 2.015 0.000 . 431 56 47 GLU HB3 H 1.957 0.000 . 432 56 47 GLU HG2 H 2.183 0.004 . 433 56 47 GLU CA C 55.516 0.045 . 434 56 47 GLU CB C 29.143 0.018 . 435 56 47 GLU CG C 35.970 0.000 . 436 56 47 GLU N N 116.190 0.028 . 437 57 48 TYR H H 7.738 0.007 . 438 57 48 TYR HA H 5.144 0.006 . 439 57 48 TYR HB2 H 2.821 0.008 . 440 57 48 TYR HB3 H 2.592 0.007 . 441 57 48 TYR HD1 H 6.948 0.006 . 442 57 48 TYR HE1 H 6.831 0.003 . 443 57 48 TYR CA C 57.278 0.034 . 444 57 48 TYR CB C 42.635 0.058 . 445 57 48 TYR N N 118.117 0.027 . 446 58 49 VAL H H 9.302 0.006 . 447 58 49 VAL HA H 4.580 0.005 . 448 58 49 VAL HB H 2.001 0.000 . 449 58 49 VAL HG1 H 0.837 0.000 . 450 58 49 VAL HG1 H 0.883 0.002 . 451 58 49 VAL HG1 H 0.837 0.000 . 452 58 49 VAL HG2 H 0.786 0.005 . 453 58 49 VAL CA C 58.605 0.054 . 454 58 49 VAL CB C 33.892 0.000 . 455 58 49 VAL CG1 C 19.539 0.171 . 456 58 49 VAL CG2 C 21.105 0.000 . 457 58 49 VAL N N 116.042 0.017 . 458 59 50 VAL H H 8.509 0.001 . 459 59 50 VAL HA H 4.385 0.002 . 460 59 50 VAL HB H 1.998 0.001 . 461 59 50 VAL HG1 H 0.788 0.005 . 462 59 50 VAL CA C 61.480 0.058 . 463 59 50 VAL CB C 32.331 0.046 . 464 59 50 VAL CG2 C 19.368 0.000 . 465 59 50 VAL N N 121.732 0.083 . 466 60 51 ASN H H 9.396 0.005 . 467 60 51 ASN HA H 5.371 0.005 . 468 60 51 ASN HB2 H 2.844 0.008 . 469 60 51 ASN HB3 H 2.303 0.010 . 470 60 51 ASN HD21 H 6.675 0.005 . 471 60 51 ASN HD22 H 6.433 0.008 . 472 60 51 ASN CA C 50.832 0.031 . 473 60 51 ASN CB C 40.470 0.055 . 474 60 51 ASN N N 126.087 0.028 . 475 60 51 ASN ND2 N 109.039 0.044 . 476 61 52 HIS H H 9.192 0.005 . 477 61 52 HIS HA H 5.145 0.007 . 478 61 52 HIS HB2 H 3.022 0.008 . 479 61 52 HIS HB3 H 2.840 0.010 . 480 61 52 HIS CA C 54.814 0.070 . 481 61 52 HIS CB C 31.827 0.034 . 482 61 52 HIS N N 125.454 0.036 . 483 62 53 GLU H H 9.603 0.006 . 484 62 53 GLU HA H 3.636 0.001 . 485 62 53 GLU HB2 H 1.988 0.000 . 486 62 53 GLU HB3 H 1.545 0.000 . 487 62 53 GLU CA C 55.926 0.031 . 488 62 53 GLU CB C 26.204 0.001 . 489 62 53 GLU CG C 34.623 0.000 . 490 62 53 GLU N N 126.216 0.046 . 491 63 54 GLY H H 8.087 0.006 . 492 63 54 GLY HA2 H 4.185 0.007 . 493 63 54 GLY HA3 H 3.659 0.000 . 494 63 54 GLY CA C 44.827 0.062 . 495 63 54 GLY N N 104.356 0.020 . 496 64 55 LYS H H 7.793 0.007 . 497 64 55 LYS HA H 4.538 0.003 . 498 64 55 LYS HB2 H 1.878 0.000 . 499 64 55 LYS HB3 H 1.878 0.000 . 500 64 55 LYS CA C 53.752 0.000 . 501 64 55 LYS CB C 33.388 0.067 . 502 64 55 LYS N N 121.872 0.052 . 503 65 56 LEU H H 8.438 0.007 . 504 65 56 LEU HA H 4.847 0.011 . 505 65 56 LEU HB2 H 1.712 0.000 . 506 65 56 LEU HB3 H 1.196 0.004 . 507 65 56 LEU HG H 1.685 0.003 . 508 65 56 LEU HD1 H 0.810 0.000 . 509 65 56 LEU HD1 H 0.864 0.007 . 510 65 56 LEU HD1 H 0.810 0.000 . 511 65 56 LEU HD2 H 0.847 0.041 . 512 65 56 LEU HD2 H 0.757 0.006 . 513 65 56 LEU HD2 H 0.847 0.041 . 514 65 56 LEU CA C 50.904 6.614 . 515 65 56 LEU CB C 41.114 0.057 . 516 65 56 LEU CG C 25.609 0.000 . 517 65 56 LEU CD1 C 22.248 0.000 . 518 65 56 LEU CD2 C 24.040 0.000 . 519 65 56 LEU N N 122.895 0.068 . 520 66 57 LEU H H 8.953 0.006 . 521 66 57 LEU HA H 4.543 0.006 . 522 66 57 LEU HB2 H 1.749 0.002 . 523 66 57 LEU HB3 H 1.285 0.008 . 524 66 57 LEU HG H 1.944 0.000 . 525 66 57 LEU HD1 H 0.811 0.007 . 526 66 57 LEU CA C 52.592 0.124 . 527 66 57 LEU CB C 38.437 0.067 . 528 66 57 LEU CG C 25.592 0.000 . 529 66 57 LEU CD1 C 21.679 0.000 . 530 66 57 LEU CD2 C 21.679 0.000 . 531 66 57 LEU N N 126.947 0.076 . 532 67 58 LEU H H 7.794 0.006 . 533 67 58 LEU HA H 4.138 0.004 . 534 67 58 LEU HB2 H 1.592 0.007 . 535 67 58 LEU HD1 H 0.918 0.000 . 536 67 58 LEU HD2 H 0.848 0.000 . 537 67 58 LEU CA C 55.046 0.065 . 538 67 58 LEU CB C 41.372 0.102 . 539 67 58 LEU CG C 24.118 0.000 . 540 67 58 LEU CD1 C 22.019 0.000 . 541 67 58 LEU CD2 C 20.526 0.000 . 542 67 58 LEU N N 120.848 0.065 . 543 68 59 ASP H H 8.317 0.006 . 544 68 59 ASP HA H 4.846 0.005 . 545 68 59 ASP HB2 H 2.928 0.005 . 546 68 59 ASP HB3 H 2.505 0.005 . 547 68 59 ASP CA C 51.301 0.044 . 548 68 59 ASP CB C 40.304 0.044 . 549 68 59 ASP N N 119.209 0.024 . 550 69 60 ASP H H 8.516 0.006 . 551 69 60 ASP HA H 4.392 0.008 . 552 69 60 ASP HB2 H 2.764 0.003 . 553 69 60 ASP HB3 H 2.555 0.016 . 554 69 60 ASP CA C 53.232 0.036 . 555 69 60 ASP CB C 38.485 0.081 . 556 69 60 ASP N N 123.831 0.058 . 557 70 61 SER H H 8.558 0.006 . 558 70 61 SER HA H 4.389 0.007 . 559 70 61 SER HB2 H 4.076 0.010 . 560 70 61 SER HB3 H 3.910 0.007 . 561 70 61 SER CA C 58.737 0.025 . 562 70 61 SER CB C 63.364 0.052 . 563 70 61 SER N N 114.584 0.034 . 564 71 62 VAL H H 6.855 0.006 . 565 71 62 VAL HA H 4.311 0.006 . 566 71 62 VAL HB H 2.141 0.004 . 567 71 62 VAL HG1 H 1.001 0.000 . 568 71 62 VAL HG2 H 0.968 0.013 . 569 71 62 VAL HG2 H 0.943 0.001 . 570 71 62 VAL HG2 H 0.968 0.013 . 571 71 62 VAL CA C 59.668 0.012 . 572 71 62 VAL CB C 31.535 0.036 . 573 71 62 VAL CG1 C 20.224 0.000 . 574 71 62 VAL CG2 C 17.862 0.213 . 575 71 62 VAL N N 115.697 0.028 . 576 72 63 THR H H 8.186 0.006 . 577 72 63 THR HA H 4.778 0.007 . 578 72 63 THR HB H 4.451 0.009 . 579 72 63 THR HG2 H 1.235 0.004 . 580 72 63 THR CA C 59.595 0.055 . 581 72 63 THR CB C 65.292 8.590 . 582 72 63 THR CG2 C 21.173 0.039 . 583 72 63 THR N N 111.160 0.015 . 584 73 64 LEU H H 8.041 0.007 . 585 73 64 LEU HA H 3.844 0.007 . 586 73 64 LEU HD1 H 0.853 0.014 . 587 73 64 LEU CA C 57.969 0.115 . 588 73 64 LEU CB C 39.441 0.170 . 589 73 64 LEU N N 120.877 0.013 . 590 74 65 GLN H H 8.283 0.009 . 591 74 65 GLN HA H 4.148 0.007 . 592 74 65 GLN HB2 H 1.984 0.008 . 593 74 65 GLN HG2 H 2.344 0.006 . 594 74 65 GLN CA C 57.984 0.064 . 595 74 65 GLN CB C 27.504 0.004 . 596 74 65 GLN N N 117.155 0.025 . 597 75 66 THR H H 7.738 0.007 . 598 75 66 THR HA H 3.957 0.006 . 599 75 66 THR HB H 4.384 0.006 . 600 75 66 THR HG2 H 1.249 0.004 . 601 75 66 THR HG2 H 1.253 0.000 . 602 75 66 THR HG2 H 1.249 0.004 . 603 75 66 THR CA C 65.143 0.026 . 604 75 66 THR CB C 67.895 0.067 . 605 75 66 THR N N 116.181 0.023 . 606 76 67 VAL H H 7.442 0.007 . 607 76 67 VAL HA H 4.195 0.005 . 608 76 67 VAL HB H 2.395 0.005 . 609 76 67 VAL HG1 H 0.967 0.000 . 610 76 67 VAL HG2 H 0.918 0.011 . 611 76 67 VAL HG2 H 0.881 0.000 . 612 76 67 VAL HG2 H 0.918 0.011 . 613 76 67 VAL CA C 61.742 0.054 . 614 76 67 VAL CB C 30.440 0.008 . 615 76 67 VAL CG1 C 21.178 0.000 . 616 76 67 VAL CG2 C 20.309 0.000 . 617 76 67 VAL N N 115.565 0.055 . 618 77 68 GLY H H 7.638 0.006 . 619 77 68 GLY HA2 H 4.108 0.011 . 620 77 68 GLY HA3 H 3.783 0.000 . 621 77 68 GLY CA C 45.477 0.038 . 622 77 68 GLY N N 107.261 0.016 . 623 78 69 VAL H H 7.305 0.006 . 624 78 69 VAL HA H 3.719 0.008 . 625 78 69 VAL HB H 1.713 0.003 . 626 78 69 VAL HG1 H 0.701 0.009 . 627 78 69 VAL CA C 62.341 0.083 . 628 78 69 VAL CB C 30.476 0.104 . 629 78 69 VAL CG1 C 20.598 0.000 . 630 78 69 VAL CG2 C 18.845 0.125 . 631 78 69 VAL N N 119.657 0.020 . 632 79 70 LYS H H 8.630 0.005 . 633 79 70 LYS HA H 4.545 0.006 . 634 79 70 LYS HB2 H 1.864 0.010 . 635 79 70 LYS HB3 H 1.754 0.000 . 636 79 70 LYS HG2 H 1.422 0.006 . 637 79 70 LYS HE2 H 3.005 0.004 . 638 79 70 LYS CA C 53.534 0.096 . 639 79 70 LYS CB C 34.888 0.089 . 640 79 70 LYS CG C 22.709 0.000 . 641 79 70 LYS CD C 27.917 0.000 . 642 79 70 LYS CE C 41.263 0.012 . 643 79 70 LYS N N 125.668 0.023 . 644 80 71 LYS H H 8.439 0.005 . 645 80 71 LYS HA H 3.949 0.005 . 646 80 71 LYS HB2 H 1.807 0.000 . 647 80 71 LYS HB3 H 1.720 0.002 . 648 80 71 LYS HG2 H 1.389 0.000 . 649 80 71 LYS HE2 H 2.984 0.004 . 650 80 71 LYS CA C 57.938 0.112 . 651 80 71 LYS CB C 31.489 0.025 . 652 80 71 LYS CG C 23.513 0.000 . 653 80 71 LYS CD C 28.582 0.000 . 654 80 71 LYS CE C 41.204 0.000 . 655 80 71 LYS N N 119.567 0.099 . 656 81 72 ASP H H 9.300 0.006 . 657 81 72 ASP HA H 4.158 0.004 . 658 81 72 ASP HB2 H 3.026 0.005 . 659 81 72 ASP HB3 H 2.804 0.007 . 660 81 72 ASP CA C 55.592 0.187 . 661 81 72 ASP CB C 37.930 0.120 . 662 81 72 ASP N N 119.752 0.048 . 663 82 73 SER H H 8.351 0.007 . 664 82 73 SER HA H 4.303 0.000 . 665 82 73 SER HB2 H 3.938 0.003 . 666 82 73 SER HB3 H 3.695 0.002 . 667 82 73 SER CA C 61.651 0.000 . 668 82 73 SER CB C 64.389 0.000 . 669 82 73 SER N N 119.196 0.020 . 670 83 74 VAL H H 8.404 0.005 . 671 83 74 VAL HA H 4.477 0.004 . 672 83 74 VAL HB H 1.853 0.005 . 673 83 74 VAL HG1 H 0.826 0.003 . 674 83 74 VAL HG2 H 0.716 0.007 . 675 83 74 VAL CA C 59.693 0.049 . 676 83 74 VAL CB C 33.380 0.065 . 677 83 74 VAL CG1 C 20.109 0.000 . 678 83 74 VAL CG2 C 20.109 0.000 . 679 83 74 VAL N N 120.344 0.058 . 680 84 75 PHE H H 9.331 0.006 . 681 84 75 PHE HA H 5.093 0.005 . 682 84 75 PHE HB2 H 3.152 0.003 . 683 84 75 PHE HB3 H 2.740 0.002 . 684 84 75 PHE HD1 H 6.950 0.003 . 685 84 75 PHE HD2 H 6.759 0.009 . 686 84 75 PHE HE1 H 7.461 0.000 . 687 84 75 PHE HE2 H 7.461 0.000 . 688 84 75 PHE CA C 53.647 0.048 . 689 84 75 PHE CB C 37.928 0.114 . 690 84 75 PHE N N 127.358 0.020 . 691 85 76 VAL H H 9.045 0.005 . 692 85 76 VAL HA H 4.525 0.006 . 693 85 76 VAL HG1 H 0.852 0.005 . 694 85 76 VAL HG2 H 0.852 0.005 . 695 85 76 VAL CA C 61.129 0.030 . 696 85 76 VAL CB C 32.161 0.086 . 697 85 76 VAL CG1 C 20.278 0.000 . 698 85 76 VAL CG2 C 20.278 0.000 . 699 85 76 VAL N N 125.854 0.042 . 700 86 77 LEU H H 8.429 0.006 . 701 86 77 LEU CA C 53.948 0.070 . 702 86 77 LEU CB C 40.261 0.047 . 703 86 77 LEU N N 126.657 0.078 . 704 87 78 VAL H H 9.211 0.006 . 705 87 78 VAL HA H 4.415 0.003 . 706 87 78 VAL HB H 2.254 0.000 . 707 87 78 VAL HG2 H 0.831 0.010 . 708 87 78 VAL CA C 60.000 0.000 . 709 87 78 VAL CB C 33.454 0.000 . 710 87 78 VAL CG1 C 21.435 0.000 . 711 87 78 VAL CG2 C 21.435 0.000 . 712 87 78 VAL N N 125.699 0.044 . 713 88 79 ARG H H 8.499 0.002 . 714 88 79 ARG HA H 3.707 0.006 . 715 88 79 ARG HB2 H 1.676 0.010 . 716 88 79 ARG HB3 H 1.676 0.010 . 717 88 79 ARG HD2 H 3.041 0.005 . 718 88 79 ARG HD3 H 3.041 0.005 . 719 88 79 ARG CA C 56.445 0.078 . 720 88 79 ARG CB C 29.245 0.040 . 721 88 79 ARG CG C 26.942 0.000 . 722 88 79 ARG CD C 42.170 0.000 . 723 88 79 ARG N N 121.252 0.018 . 724 89 80 LYS H H 8.452 0.006 . 725 89 80 LYS HA H 3.878 0.004 . 726 89 80 LYS HB2 H 1.725 0.000 . 727 89 80 LYS HB3 H 1.429 0.004 . 728 89 80 LYS HD2 H 1.578 0.000 . 729 89 80 LYS HD3 H 1.578 0.000 . 730 89 80 LYS HE2 H 2.243 0.000 . 731 89 80 LYS HE3 H 2.243 0.000 . 732 89 80 LYS CA C 57.618 0.011 . 733 89 80 LYS CB C 32.701 0.075 . 734 89 80 LYS CG C 23.552 0.000 . 735 89 80 LYS CD C 27.798 0.000 . 736 89 80 LYS N N 125.800 0.045 . 737 90 81 ALA H H 8.413 0.015 . 738 90 81 ALA HA H 4.208 0.000 . 739 90 81 ALA HB H 1.341 0.003 . 740 90 81 ALA CB C 27.674 15.773 . 741 90 81 ALA N N 122.998 0.056 . stop_ save_