data_26632 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Protein G Domain Beta-1 Sequence H ; _BMRB_accession_number 26632 _BMRB_flat_file_name bmr26632.str _Entry_type original _Submission_date 2015-08-10 _Accession_date 2015-08-10 _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 Davey James A. . 2 Damry Adam M. . 3 Euler Christian K. . 4 Goto Natalie K. . 5 Chica Roberto A. . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 57 "13C chemical shifts" 167 "15N chemical shifts" 57 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2016-07-11 update BMRB 'update entry citation' 2015-09-29 original author 'original release' stop_ loop_ _Related_BMRB_accession_number _Relationship 26630 'Protein G Domain Beta-1 Wild-Type' stop_ _Original_release_date 2015-09-29 save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full . _Citation_title ; Prediction of Stable Globular Proteins Using Negative Design with Non-native Backbone Ensembles ; _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 26412333 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Davey James A. . 2 Damry Adam M. . 3 Euler Christian K. . 4 Goto Natalie K. . 5 Chica Roberto A. . stop_ _Journal_abbreviation Structure _Journal_volume 23 _Journal_issue 11 _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 2011 _Page_last 2021 _Year 2015 _Details . save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name 'Protein G Domain Beta-1 Sequence H' _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label 'Protein G Domain Beta-1 Sequence H' $Protein_G_Domain_Beta-1_Sequence_H 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_Protein_G_Domain_Beta-1_Sequence_H _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common Protein_G_Domain_Beta-1_Sequence_H _Molecular_mass . _Mol_thiol_state 'not present' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 64 _Mol_residue_sequence ; MHHHHHHGMTFKLIINGKTL KGETTTEAVDAATAEKVLKQ YANDNGIDGEWTYDDATKTF TVTE ; loop_ _Residue_seq_code _Residue_author_seq_code _Residue_label 1 1 MET 2 2 HIS 3 3 HIS 4 4 HIS 5 5 HIS 6 6 HIS 7 7 HIS 8 8 GLY 9 9 MET 10 10 THR 11 11 PHE 12 12 LYS 13 13 LEU 14 14 ILE 15 15 ILE 16 16 ASN 17 17 GLY 18 18 LYS 19 19 THR 20 20 LEU 21 21 LYS 22 22 GLY 23 23 GLU 24 24 THR 25 25 THR 26 26 THR 27 27 GLU 28 28 ALA 29 29 VAL 30 30 ASP 31 31 ALA 32 32 ALA 33 33 THR 34 34 ALA 35 35 GLU 36 36 LYS 37 37 VAL 38 38 LEU 39 39 LYS 40 40 GLN 41 41 TYR 42 42 ALA 43 43 ASN 44 44 ASP 45 45 ASN 46 46 GLY 47 47 ILE 48 48 ASP 49 49 GLY 50 50 GLU 51 51 TRP 52 52 THR 53 53 TYR 54 54 ASP 55 55 ASP 56 56 ALA 57 57 THR 58 58 LYS 59 59 THR 60 60 PHE 61 61 THR 62 62 VAL 63 63 THR 64 64 GLU 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 $Protein_G_Domain_Beta-1_Sequence_H firmicutes 1325 Bacteria . Streptococcus . 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 $Protein_G_Domain_Beta-1_Sequence_H 'recombinant technology' . Escherichia coli . pJ414 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 _Concentration_min_value _Concentration_max_value _Isotopic_labeling $Protein_G_Domain_Beta-1_Sequence_H . mM 0.5 2 '[U-99% 13C; U-98% 15N]' D2O 10 % . . '[U-99.9% 2H]' H2O 90 % . . 'natural abundance' 'sodium phosphate' 10 mM . . 'natural abundance' stop_ save_ ############################ # Computer software used # ############################ save_VNMRJ _Saveframe_category software _Name VNMRJ _Version . loop_ _Vendor _Address _Electronic_address Varian . . stop_ loop_ _Task collection stop_ _Details . save_ save_NMRPipe _Saveframe_category software _Name NMRPipe _Version . loop_ _Vendor _Address _Electronic_address 'Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax' . . stop_ loop_ _Task processing stop_ _Details . save_ save_NMRView _Saveframe_category software _Name NMRView _Version . loop_ _Vendor _Address _Electronic_address 'Johnson, One Moon Scientific' . . stop_ loop_ _Task 'chemical shift assignment' 'data analysis' 'peak picking' stop_ _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Varian _Model INOVA _Field_strength 500 _Details . save_ ############################# # NMR applied experiments # ############################# save_3D_HNCO_1 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCO' _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_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Saveframe_category sample_conditions _Details . loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units 'ionic strength' 10 . mM pH 7.4 . pH pressure 1 . atm temperature 298.15 . 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_ _Software_label $NMRView stop_ loop_ _Experiment_label '3D HNCO' '3D CBCA(CO)NH' '3D HNCACB' 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 'Protein G Domain Beta-1 Sequence H' _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 7 7 HIS C C 175.1787 0.0000 1 2 7 7 HIS CA C 56.0118 0.0000 1 3 8 8 GLY H H 8.3616 0.0000 1 4 8 8 GLY C C 172.7882 0.0000 1 5 8 8 GLY CA C 45.1501 0.0000 1 6 8 8 GLY N N 109.3455 0.0000 1 7 9 9 MET H H 8.4259 0.0000 1 8 9 9 MET C C 174.2996 0.0000 1 9 9 9 MET CA C 54.6961 0.0000 1 10 9 9 MET CB C 35.3477 0.0000 1 11 9 9 MET N N 120.1896 0.0000 1 12 10 10 THR H H 8.0958 0.0000 1 13 10 10 THR C C 174.1459 0.0000 1 14 10 10 THR CA C 63.4654 0.0000 1 15 10 10 THR CB C 69.3014 0.0000 1 16 10 10 THR N N 117.0132 0.0000 1 17 11 11 PHE H H 9.4075 0.0000 1 18 11 11 PHE C C 174.0935 0.0000 1 19 11 11 PHE CA C 56.8232 0.0000 1 20 11 11 PHE CB C 43.2297 0.0000 1 21 11 11 PHE N N 126.4440 0.0000 1 22 12 12 LYS H H 8.7103 0.0000 1 23 12 12 LYS C C 173.8042 0.0000 1 24 12 12 LYS CA C 54.7908 0.0000 1 25 12 12 LYS CB C 35.8830 0.0000 1 26 12 12 LYS N N 122.3065 0.0000 1 27 13 13 LEU H H 9.0016 0.0000 1 28 13 13 LEU C C 174.7069 0.0000 1 29 13 13 LEU CA C 53.0919 0.0000 1 30 13 13 LEU CB C 46.7171 0.0000 1 31 13 13 LEU N N 125.1577 0.0000 1 32 14 14 ILE H H 9.3258 0.0000 1 33 14 14 ILE C C 174.6524 0.0000 1 34 14 14 ILE CA C 60.7106 0.0000 1 35 14 14 ILE CB C 38.0790 0.0000 1 36 14 14 ILE N N 127.1238 0.0000 1 37 15 15 ILE H H 8.7778 0.0000 1 38 15 15 ILE C C 174.9282 0.0000 1 39 15 15 ILE CA C 60.7934 0.0000 1 40 15 15 ILE CB C 39.2786 0.0000 1 41 15 15 ILE N N 126.3429 0.0000 1 42 16 16 ASN H H 8.9891 0.0000 1 43 16 16 ASN C C 175.7751 0.0000 1 44 16 16 ASN CA C 50.9382 0.0000 1 45 16 16 ASN CB C 37.9461 0.0000 1 46 16 16 ASN N N 129.3951 0.0000 1 47 17 17 GLY H H 7.9464 0.0000 1 48 17 17 GLY C C 173.7302 0.0000 1 49 17 17 GLY CA C 44.6970 0.0000 1 50 17 17 GLY N N 110.4336 0.0000 1 51 18 18 LYS H H 9.5500 0.0000 1 52 18 18 LYS C C 179.0799 0.0000 1 53 18 18 LYS CA C 59.2277 0.0000 1 54 18 18 LYS CB C 32.6662 0.0000 1 55 18 18 LYS N N 121.1000 0.0000 1 56 19 19 THR H H 8.8627 0.0000 1 57 19 19 THR C C 173.7983 0.0000 1 58 19 19 THR CA C 61.9994 0.0000 1 59 19 19 THR CB C 69.8928 0.0000 1 60 19 19 THR N N 108.8068 0.0000 1 61 20 20 LEU H H 7.5895 0.0000 1 62 20 20 LEU C C 173.6440 0.0000 1 63 20 20 LEU CA C 55.2006 0.0000 1 64 20 20 LEU CB C 43.6979 0.0000 1 65 20 20 LEU N N 125.6369 0.0000 1 66 21 21 LYS H H 8.1502 0.0000 1 67 21 21 LYS C C 176.5126 0.0000 1 68 21 21 LYS CA C 53.8273 0.0000 1 69 21 21 LYS CB C 34.5418 0.0000 1 70 21 21 LYS N N 123.5544 0.0000 1 71 22 22 GLY H H 8.3839 0.0000 1 72 22 22 GLY C C 171.4463 0.0000 1 73 22 22 GLY CA C 45.2878 0.0000 1 74 22 22 GLY N N 109.3163 0.0000 1 75 23 23 GLU H H 8.4866 0.0000 1 76 23 23 GLU C C 175.2855 0.0000 1 77 23 23 GLU CA C 54.8758 0.0000 1 78 23 23 GLU CB C 34.0575 0.0000 1 79 23 23 GLU N N 118.5169 0.0000 1 80 24 24 THR H H 8.8026 0.0000 1 81 24 24 THR C C 171.9851 0.0000 1 82 24 24 THR CA C 60.9030 0.0000 1 83 24 24 THR CB C 69.2948 0.0000 1 84 24 24 THR N N 115.4010 0.0000 1 85 25 25 THR H H 7.8960 0.0000 1 86 25 25 THR C C 173.7648 0.0000 1 87 25 25 THR CA C 59.5928 0.0000 1 88 25 25 THR CB C 73.2019 0.0000 1 89 25 25 THR N N 111.6543 0.0000 1 90 26 26 THR H H 9.0769 0.0000 1 91 26 26 THR C C 171.0258 0.0000 1 92 26 26 THR CA C 61.6904 0.0000 1 93 26 26 THR CB C 70.1418 0.0000 1 94 26 26 THR N N 114.6885 0.0000 1 95 27 27 GLU H H 8.0713 0.0000 1 96 27 27 GLU C C 176.4760 0.0000 1 97 27 27 GLU CA C 54.8330 0.0000 1 98 27 27 GLU CB C 31.4430 0.0000 1 99 27 27 GLU N N 125.3285 0.0000 1 100 28 28 ALA H H 9.3969 0.0000 1 101 28 28 ALA C C 177.3521 0.0000 1 102 28 28 ALA CA C 51.2102 0.0000 1 103 28 28 ALA CB C 23.7470 0.0000 1 104 28 28 ALA N N 125.3400 0.0000 1 105 29 29 VAL H H 8.5544 0.0000 1 106 29 29 VAL C C 174.7644 0.0000 1 107 29 29 VAL CA C 63.7210 0.0000 1 108 29 29 VAL CB C 32.1776 0.0000 1 109 29 29 VAL N N 114.3875 0.0000 1 110 30 30 ASP H H 7.3213 0.0000 1 111 30 30 ASP C C 174.3424 0.0000 1 112 30 30 ASP CA C 52.6812 0.0000 1 113 30 30 ASP CB C 42.5245 0.0000 1 114 30 30 ASP N N 113.6061 0.0000 1 115 31 31 ALA H H 8.7246 0.0000 1 116 31 31 ALA C C 179.0278 0.0000 1 117 31 31 ALA CA C 54.8225 0.0000 1 118 31 31 ALA CB C 17.5984 0.0000 1 119 31 31 ALA N N 121.9073 0.0000 1 120 32 32 ALA H H 8.1569 0.0000 1 121 32 32 ALA C C 181.0176 0.0000 1 122 32 32 ALA CA C 55.0021 0.0000 1 123 32 32 ALA CB C 18.0399 0.0000 1 124 32 32 ALA N N 121.1133 0.0000 1 125 33 33 THR H H 8.3615 0.0000 1 126 33 33 THR C C 176.2259 0.0000 1 127 33 33 THR CA C 66.6768 0.0000 1 128 33 33 THR CB C 67.8986 0.0000 1 129 33 33 THR N N 116.3436 0.0000 1 130 34 34 ALA H H 7.5351 0.0000 1 131 34 34 ALA C C 178.0898 0.0000 1 132 34 34 ALA CA C 54.9944 0.0000 1 133 34 34 ALA CB C 18.2538 0.0000 1 134 34 34 ALA N N 123.2076 0.0000 1 135 35 35 GLU H H 8.4002 0.0000 1 136 35 35 GLU C C 177.1184 0.0000 1 137 35 35 GLU CA C 59.5552 0.0000 1 138 35 35 GLU CB C 29.4292 0.0000 1 139 35 35 GLU N N 117.0435 0.0000 1 140 36 36 LYS H H 6.8600 0.0000 1 141 36 36 LYS C C 179.8558 0.0000 1 142 36 36 LYS CA C 59.5872 0.0000 1 143 36 36 LYS CB C 32.4369 0.0000 1 144 36 36 LYS N N 116.1265 0.0000 1 145 37 37 VAL H H 7.4655 0.0000 1 146 37 37 VAL C C 179.2773 0.0000 1 147 37 37 VAL CA C 65.9887 0.0000 1 148 37 37 VAL CB C 32.5312 0.0000 1 149 37 37 VAL N N 119.7321 0.0000 1 150 38 38 LEU H H 8.7010 0.0000 1 151 38 38 LEU C C 179.0311 0.0000 1 152 38 38 LEU CA C 57.5028 0.0000 1 153 38 38 LEU CB C 40.5799 0.0000 1 154 38 38 LEU N N 121.8220 0.0000 1 155 39 39 LYS H H 8.6758 0.0000 1 156 39 39 LYS C C 179.4809 0.0000 1 157 39 39 LYS CA C 59.8749 0.0000 1 158 39 39 LYS CB C 31.7352 0.0000 1 159 39 39 LYS N N 121.1115 0.0000 1 160 40 40 GLN H H 7.4401 0.0000 1 161 40 40 GLN C C 177.2442 0.0000 1 162 40 40 GLN CA C 58.7896 0.0000 1 163 40 40 GLN CB C 28.0684 0.0000 1 164 40 40 GLN N N 120.1325 0.0000 1 165 41 41 TYR H H 7.9863 0.0000 1 166 41 41 TYR C C 178.8830 0.0000 1 167 41 41 TYR CA C 61.8297 0.0000 1 168 41 41 TYR CB C 37.7648 0.0000 1 169 41 41 TYR N N 120.7344 0.0000 1 170 42 42 ALA H H 8.6483 0.0000 1 171 42 42 ALA C C 179.4229 0.0000 1 172 42 42 ALA CA C 56.2022 0.0000 1 173 42 42 ALA CB C 17.9190 0.0000 1 174 42 42 ALA N N 122.8490 0.0000 1 175 43 43 ASN H H 8.6219 0.0000 1 176 43 43 ASN C C 179.3325 0.0000 1 177 43 43 ASN CA C 56.9088 0.0000 1 178 43 43 ASN CB C 38.7723 0.0000 1 179 43 43 ASN N N 118.6827 0.0000 1 180 44 44 ASP H H 8.9342 0.0000 1 181 44 44 ASP C C 177.0921 0.0000 1 182 44 44 ASP CA C 56.9366 0.0000 1 183 44 44 ASP CB C 40.0903 0.0000 1 184 44 44 ASP N N 121.8088 0.0000 1 185 45 45 ASN H H 7.3840 0.0000 1 186 45 45 ASN C C 173.9668 0.0000 1 187 45 45 ASN CA C 53.7918 0.0000 1 188 45 45 ASN CB C 40.1238 0.0000 1 189 45 45 ASN N N 115.9244 0.0000 1 190 46 46 GLY H H 7.8473 0.0000 1 191 46 46 GLY C C 174.1995 0.0000 1 192 46 46 GLY CA C 46.8468 0.0000 1 193 46 46 GLY N N 108.1943 0.0000 1 194 47 47 ILE H H 8.0893 0.0000 1 195 47 47 ILE C C 174.6623 0.0000 1 196 47 47 ILE CA C 59.3134 0.0000 1 197 47 47 ILE CB C 38.3306 0.0000 1 198 47 47 ILE N N 121.0484 0.0000 1 199 48 48 ASP H H 8.8501 0.0000 1 200 48 48 ASP C C 174.3318 0.0000 1 201 48 48 ASP CA C 52.9498 0.0000 1 202 48 48 ASP CB C 43.2236 0.0000 1 203 48 48 ASP N N 128.6263 0.0000 1 204 49 49 GLY H H 8.0407 0.0000 1 205 49 49 GLY C C 171.9352 0.0000 1 206 49 49 GLY CA C 45.4297 0.0000 1 207 49 49 GLY N N 107.5352 0.0000 1 208 50 50 GLU H H 8.2329 0.0000 1 209 50 50 GLU C C 177.0925 0.0000 1 210 50 50 GLU CA C 55.6048 0.0000 1 211 50 50 GLU CB C 31.6603 0.0000 1 212 50 50 GLU N N 120.3918 0.0000 1 213 51 51 TRP H H 9.3501 0.0000 1 214 51 51 TRP C C 177.0548 0.0000 1 215 51 51 TRP CA C 58.0477 0.0000 1 216 51 51 TRP CB C 30.4929 0.0000 1 217 51 51 TRP N N 128.7270 0.0000 1 218 52 52 THR H H 9.2670 0.0000 1 219 52 52 THR C C 172.7184 0.0000 1 220 52 52 THR CA C 60.5092 0.0000 1 221 52 52 THR CB C 72.3052 0.0000 1 222 52 52 THR N N 114.9282 0.0000 1 223 53 53 TYR H H 8.5699 0.0000 1 224 53 53 TYR C C 173.2254 0.0000 1 225 53 53 TYR CA C 56.9247 0.0000 1 226 53 53 TYR CB C 41.6712 0.0000 1 227 53 53 TYR N N 120.5114 0.0000 1 228 54 54 ASP H H 7.6935 0.0000 1 229 54 54 ASP C C 174.4850 0.0000 1 230 54 54 ASP CA C 51.8721 0.0000 1 231 54 54 ASP CB C 43.0605 0.0000 1 232 54 54 ASP N N 128.5768 0.0000 1 233 55 55 ASP H H 8.5144 0.0000 1 234 55 55 ASP C C 178.1222 0.0000 1 235 55 55 ASP CA C 56.3309 0.0000 1 236 55 55 ASP CB C 42.1826 0.0000 1 237 55 55 ASP N N 125.0239 0.0000 1 238 56 56 ALA H H 8.2822 0.0000 1 239 56 56 ALA C C 179.8358 0.0000 1 240 56 56 ALA CA C 55.0847 0.0000 1 241 56 56 ALA CB C 18.3793 0.0000 1 242 56 56 ALA N N 119.8068 0.0000 1 243 57 57 THR H H 6.9614 0.0000 1 244 57 57 THR C C 175.1739 0.0000 1 245 57 57 THR CA C 60.3454 0.0000 1 246 57 57 THR CB C 70.1482 0.0000 1 247 57 57 THR N N 103.1660 0.0000 1 248 58 58 LYS H H 7.8002 0.0000 1 249 58 58 LYS C C 174.8056 0.0000 1 250 58 58 LYS CA C 56.7839 0.0000 1 251 58 58 LYS CB C 29.4736 0.0000 1 252 58 58 LYS N N 123.6450 0.0000 1 253 59 59 THR H H 7.3592 0.0000 1 254 59 59 THR C C 174.7788 0.0000 1 255 59 59 THR CA C 62.3110 0.0000 1 256 59 59 THR CB C 72.1056 0.0000 1 257 59 59 THR N N 111.2889 0.0000 1 258 60 60 PHE H H 10.3648 0.0000 1 259 60 60 PHE C C 174.6370 0.0000 1 260 60 60 PHE CA C 57.3561 0.0000 1 261 60 60 PHE CB C 42.7100 0.0000 1 262 60 60 PHE N N 131.2287 0.0000 1 263 61 61 THR H H 9.1171 0.0000 1 264 61 61 THR C C 172.5272 0.0000 1 265 61 61 THR CA C 61.7048 0.0000 1 266 61 61 THR CB C 71.0007 0.0000 1 267 61 61 THR N N 117.7394 0.0000 1 268 62 62 VAL H H 8.3938 0.0000 1 269 62 62 VAL C C 172.8471 0.0000 1 270 62 62 VAL CA C 57.7101 0.0000 1 271 62 62 VAL CB C 32.7502 0.0000 1 272 62 62 VAL N N 123.5842 0.0000 1 273 63 63 THR H H 8.4385 0.0000 1 274 63 63 THR C C 174.3062 0.0000 1 275 63 63 THR CA C 61.2850 0.0000 1 276 63 63 THR CB C 70.7455 0.0000 1 277 63 63 THR N N 124.7751 0.0000 1 278 64 64 GLU H H 7.8469 0.0000 1 279 64 64 GLU CA C 58.3901 0.0000 1 280 64 64 GLU CB C 32.8802 0.0000 1 281 64 64 GLU N N 133.6581 0.0000 1 stop_ save_