data_26630 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Protein G Domain Beta-1 Wild Type ; _BMRB_accession_number 26630 _BMRB_flat_file_name bmr26630.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" 56 "13C chemical shifts" 165 "15N chemical shifts" 56 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 26632 'Protein G Domain Beta-1 Sequence H' 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 Wild-Type' _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label 'Protein G Domain Beta-1 Wild-Type' $Protein_G_Domain_Beta-1_Wild_Type 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_Wild_Type _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common Protein_G_Domain_Beta-1_Wild_Type _Molecular_mass . _Mol_thiol_state 'not present' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 64 _Mol_residue_sequence ; MHHHHHHGMTYKLILNGKTL KGETTTEAVDAATAEKVFKQ YANDNGVDGEWTYDDATKTF 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 TYR 12 12 LYS 13 13 LEU 14 14 ILE 15 15 LEU 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 PHE 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 VAL 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_Wild_Type 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_Wild_Type '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_Wild_Type . 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_ _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 Wild-Type' _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 8 8 GLY C C 173.0360 0.0000 1 2 8 8 GLY CA C 45.0929 0.0000 1 3 9 9 MET H H 8.3608 0.0000 1 4 9 9 MET C C 174.3036 0.0000 1 5 9 9 MET CA C 54.6881 0.0000 1 6 9 9 MET CB C 34.9654 0.0000 1 7 9 9 MET N N 120.1061 0.0000 1 8 10 10 THR H H 8.0598 0.0000 1 9 10 10 THR C C 174.2421 0.0000 1 10 10 10 THR CA C 63.5177 0.0000 1 11 10 10 THR CB C 69.3561 0.0000 1 12 10 10 THR N N 116.9223 0.0000 1 13 11 11 TYR H H 9.3582 0.0000 1 14 11 11 TYR C C 174.5823 0.0000 1 15 11 11 TYR CA C 57.1376 0.0000 1 16 11 11 TYR CB C 43.1351 0.0000 1 17 11 11 TYR N N 126.7808 0.0000 1 18 12 12 LYS H H 9.1187 0.0000 1 19 12 12 LYS C C 172.8058 0.0000 1 20 12 12 LYS CA C 55.2546 0.0000 1 21 12 12 LYS CB C 36.1019 0.0000 1 22 12 12 LYS N N 122.4940 0.0000 1 23 13 13 LEU H H 8.6128 0.0000 1 24 13 13 LEU C C 174.6441 0.0000 1 25 13 13 LEU CA C 52.8035 0.0000 1 26 13 13 LEU CB C 42.8622 0.0000 1 27 13 13 LEU N N 126.7117 0.0000 1 28 14 14 ILE H H 9.1149 0.0000 1 29 14 14 ILE C C 174.7418 0.0000 1 30 14 14 ILE CA C 60.4148 0.0000 1 31 14 14 ILE CB C 38.1190 0.0000 1 32 14 14 ILE N N 126.3791 0.0000 1 33 15 15 LEU H H 8.7206 0.0000 1 34 15 15 LEU C C 174.7954 0.0000 1 35 15 15 LEU CA C 54.6265 0.0000 1 36 15 15 LEU CB C 42.1762 0.0000 1 37 15 15 LEU N N 125.8254 0.0000 1 38 16 16 ASN H H 8.9344 0.0000 1 39 16 16 ASN C C 175.9358 0.0000 1 40 16 16 ASN CA C 51.0805 0.0000 1 41 16 16 ASN CB C 37.9115 0.0000 1 42 16 16 ASN N N 126.6894 0.0000 1 43 17 17 GLY H H 7.9431 0.0000 1 44 17 17 GLY C C 173.5425 0.0000 1 45 17 17 GLY CA C 44.9425 0.0000 1 46 17 17 GLY N N 109.7414 0.0000 1 47 18 18 LYS H H 9.5593 0.0000 1 48 18 18 LYS C C 179.0496 0.0000 1 49 18 18 LYS CA C 59.2169 0.0000 1 50 18 18 LYS CB C 32.7525 0.0000 1 51 18 18 LYS N N 121.2822 0.0000 1 52 19 19 THR H H 8.8338 0.0000 1 53 19 19 THR C C 173.8041 0.0000 1 54 19 19 THR CA C 61.9891 0.0000 1 55 19 19 THR CB C 69.8115 0.0000 1 56 19 19 THR N N 108.6896 0.0000 1 57 20 20 LEU H H 7.4045 0.0000 1 58 20 20 LEU C C 173.3280 0.0000 1 59 20 20 LEU CA C 55.1846 0.0000 1 60 20 20 LEU CB C 43.5364 0.0000 1 61 20 20 LEU N N 125.7303 0.0000 1 62 21 21 LYS H H 8.1188 0.0000 1 63 21 21 LYS C C 176.5254 0.0000 1 64 21 21 LYS CA C 53.8400 0.0000 1 65 21 21 LYS CB C 34.8039 0.0000 1 66 21 21 LYS N N 123.9116 0.0000 1 67 22 22 GLY H H 8.4527 0.0000 1 68 22 22 GLY C C 171.3491 0.0000 1 69 22 22 GLY CA C 45.2562 0.0000 1 70 22 22 GLY N N 109.4612 0.0000 1 71 23 23 GLU H H 8.4258 0.0000 1 72 23 23 GLU C C 175.2700 0.0000 1 73 23 23 GLU CA C 54.7570 0.0000 1 74 23 23 GLU CB C 34.0978 0.0000 1 75 23 23 GLU N N 118.7706 0.0000 1 76 24 24 THR H H 8.7462 0.0000 1 77 24 24 THR C C 172.0045 0.0000 1 78 24 24 THR CA C 60.7387 0.0000 1 79 24 24 THR CB C 69.3394 0.0000 1 80 24 24 THR N N 115.8564 0.0000 1 81 25 25 THR H H 8.0452 0.0000 1 82 25 25 THR C C 174.1222 0.0000 1 83 25 25 THR CA C 59.8799 0.0000 1 84 25 25 THR CB C 73.4372 0.0000 1 85 25 25 THR N N 111.4222 0.0000 1 86 26 26 THR H H 9.0513 0.0000 1 87 26 26 THR C C 171.0572 0.0000 1 88 26 26 THR CA C 62.4290 0.0000 1 89 26 26 THR CB C 70.0184 0.0000 1 90 26 26 THR N N 114.6755 0.0000 1 91 27 27 GLU H H 7.9962 0.0000 1 92 27 27 GLU C C 176.3163 0.0000 1 93 27 27 GLU CA C 54.8029 0.0000 1 94 27 27 GLU CB C 31.0709 0.0000 1 95 27 27 GLU N N 124.8670 0.0000 1 96 28 28 ALA H H 9.2997 0.0000 1 97 28 28 ALA C C 177.3440 0.0000 1 98 28 28 ALA CA C 51.1660 0.0000 1 99 28 28 ALA CB C 23.8731 0.0000 1 100 28 28 ALA N N 125.6169 0.0000 1 101 29 29 VAL H H 8.4461 0.0000 1 102 29 29 VAL C C 174.7189 0.0000 1 103 29 29 VAL CA C 63.3396 0.0000 1 104 29 29 VAL CB C 32.1305 0.0000 1 105 29 29 VAL N N 114.4526 0.0000 1 106 30 30 ASP H H 7.3646 0.0000 1 107 30 30 ASP C C 174.6590 0.0000 1 108 30 30 ASP CA C 52.7529 0.0000 1 109 30 30 ASP CB C 42.1840 0.0000 1 110 30 30 ASP N N 114.9924 0.0000 1 111 31 31 ALA H H 8.3727 0.0000 1 112 31 31 ALA C C 179.2008 0.0000 1 113 31 31 ALA CA C 54.7713 0.0000 1 114 31 31 ALA CB C 17.7824 0.0000 1 115 31 31 ALA N N 121.4790 0.0000 1 116 32 32 ALA H H 8.0652 0.0000 1 117 32 32 ALA C C 180.9210 0.0000 1 118 32 32 ALA CA C 55.0098 0.0000 1 119 32 32 ALA CB C 17.9984 0.0000 1 120 32 32 ALA N N 120.5242 0.0000 1 121 33 33 THR H H 8.3136 0.0000 1 122 33 33 THR C C 176.0883 0.0000 1 123 33 33 THR CA C 66.8607 0.0000 1 124 33 33 THR CB C 67.9109 0.0000 1 125 33 33 THR N N 116.6121 0.0000 1 126 34 34 ALA H H 7.0636 0.0000 1 127 34 34 ALA C C 177.1027 0.0000 1 128 34 34 ALA CA C 54.9981 0.0000 1 129 34 34 ALA CB C 17.4599 0.0000 1 130 34 34 ALA N N 123.7892 0.0000 1 131 35 35 GLU H H 8.3512 0.0000 1 132 35 35 GLU C C 177.3207 0.0000 1 133 35 35 GLU CA C 59.7827 0.0000 1 134 35 35 GLU CB C 29.3686 0.0000 1 135 35 35 GLU N N 116.7598 0.0000 1 136 36 36 LYS H H 6.9932 0.0000 1 137 36 36 LYS C C 180.0380 0.0000 1 138 36 36 LYS CA C 59.7614 0.0000 1 139 36 36 LYS CB C 32.1443 0.0000 1 140 36 36 LYS N N 116.7676 0.0000 1 141 37 37 VAL H H 7.3257 0.0000 1 142 37 37 VAL C C 179.8051 0.0000 1 143 37 37 VAL CA C 66.0290 0.0000 1 144 37 37 VAL CB C 31.7921 0.0000 1 145 37 37 VAL N N 120.7576 0.0000 1 146 38 38 PHE H H 8.4826 0.0000 1 147 38 38 PHE C C 178.3188 0.0000 1 148 38 38 PHE CA C 56.6478 0.0000 1 149 38 38 PHE CB C 37.5530 0.0000 1 150 38 38 PHE N N 120.8200 0.0000 1 151 39 39 LYS H H 9.1394 0.0000 1 152 39 39 LYS C C 179.5430 0.0000 1 153 39 39 LYS CA C 60.0056 0.0000 1 154 39 39 LYS CB C 31.7713 0.0000 1 155 39 39 LYS N N 123.0837 0.0000 1 156 40 40 GLN H H 7.4328 0.0000 1 157 40 40 GLN C C 177.0311 0.0000 1 158 40 40 GLN CA C 58.7087 0.0000 1 159 40 40 GLN CB C 28.2982 0.0000 1 160 40 40 GLN N N 119.6597 0.0000 1 161 41 41 TYR H H 8.2736 0.0000 1 162 41 41 TYR C C 179.0377 0.0000 1 163 41 41 TYR CA C 61.9828 0.0000 1 164 41 41 TYR CB C 38.8210 0.0000 1 165 41 41 TYR N N 121.1329 0.0000 1 166 42 42 ALA H H 9.2118 0.0000 1 167 42 42 ALA C C 179.3099 0.0000 1 168 42 42 ALA CA C 56.4208 0.0000 1 169 42 42 ALA CB C 18.0399 0.0000 1 170 42 42 ALA N N 122.6777 0.0000 1 171 43 43 ASN H H 8.2578 0.0000 1 172 43 43 ASN C C 179.3698 0.0000 1 173 43 43 ASN CA C 57.0386 0.0000 1 174 43 43 ASN CB C 39.0425 0.0000 1 175 43 43 ASN N N 117.7502 0.0000 1 176 44 44 ASP H H 8.9702 0.0000 1 177 44 44 ASP C C 177.1366 0.0000 1 178 44 44 ASP CA C 57.1464 0.0000 1 179 44 44 ASP CB C 40.2290 0.0000 1 180 44 44 ASP N N 121.5922 0.0000 1 181 45 45 ASN H H 7.4056 0.0000 1 182 45 45 ASN C C 173.9699 0.0000 1 183 45 45 ASN CA C 53.9757 0.0000 1 184 45 45 ASN CB C 40.1360 0.0000 1 185 45 45 ASN N N 115.5956 0.0000 1 186 46 46 GLY H H 7.8217 0.0000 1 187 46 46 GLY C C 174.1574 0.0000 1 188 46 46 GLY CA C 47.0057 0.0000 1 189 46 46 GLY N N 108.2578 0.0000 1 190 47 47 VAL H H 8.1110 0.0000 1 191 47 47 VAL C C 173.8714 0.0000 1 192 47 47 VAL CA C 61.9836 0.0000 1 193 47 47 VAL CB C 33.5168 0.0000 1 194 47 47 VAL N N 121.1206 0.0000 1 195 48 48 ASP H H 8.6179 0.0000 1 196 48 48 ASP C C 174.4286 0.0000 1 197 48 48 ASP CA C 52.7977 0.0000 1 198 48 48 ASP CB C 43.1350 0.0000 1 199 48 48 ASP N N 127.9081 0.0000 1 200 49 49 GLY H H 7.7705 0.0000 1 201 49 49 GLY C C 171.9943 0.0000 1 202 49 49 GLY CA C 45.5359 0.0000 1 203 49 49 GLY N N 107.2024 0.0000 1 204 50 50 GLU H H 8.1939 0.0000 1 205 50 50 GLU C C 177.0726 0.0000 1 206 50 50 GLU CA C 55.6802 0.0000 1 207 50 50 GLU CB C 31.6206 0.0000 1 208 50 50 GLU N N 120.9960 0.0000 1 209 51 51 TRP H H 9.3596 0.0000 1 210 51 51 TRP C C 177.0848 0.0000 1 211 51 51 TRP CA C 57.9636 0.0000 1 212 51 51 TRP CB C 30.5642 0.0000 1 213 51 51 TRP N N 128.6916 0.0000 1 214 52 52 THR H H 9.3154 0.0000 1 215 52 52 THR C C 172.7450 0.0000 1 216 52 52 THR CA C 60.5553 0.0000 1 217 52 52 THR CB C 72.3176 0.0000 1 218 52 52 THR N N 114.8676 0.0000 1 219 53 53 TYR H H 8.5789 0.0000 1 220 53 53 TYR C C 173.2465 0.0000 1 221 53 53 TYR CA C 57.0264 0.0000 1 222 53 53 TYR CB C 41.5188 0.0000 1 223 53 53 TYR N N 120.7472 0.0000 1 224 54 54 ASP H H 7.6880 0.0000 1 225 54 54 ASP C C 174.5830 0.0000 1 226 54 54 ASP CA C 51.9195 0.0000 1 227 54 54 ASP CB C 43.2474 0.0000 1 228 54 54 ASP N N 128.5869 0.0000 1 229 55 55 ASP H H 8.5545 0.0000 1 230 55 55 ASP C C 178.0864 0.0000 1 231 55 55 ASP CA C 56.4291 0.0000 1 232 55 55 ASP CB C 42.2425 0.0000 1 233 55 55 ASP N N 125.0238 0.0000 1 234 56 56 ALA H H 8.3164 0.0000 1 235 56 56 ALA C C 179.8421 0.0000 1 236 56 56 ALA CA C 55.1025 0.0000 1 237 56 56 ALA CB C 18.4798 0.0000 1 238 56 56 ALA N N 119.9565 0.0000 1 239 57 57 THR H H 7.0023 0.0000 1 240 57 57 THR C C 175.1712 0.0000 1 241 57 57 THR CA C 60.4066 0.0000 1 242 57 57 THR CB C 70.3024 0.0000 1 243 57 57 THR N N 103.3832 0.0000 1 244 58 58 LYS H H 7.8537 0.0000 1 245 58 58 LYS C C 174.9184 0.0000 1 246 58 58 LYS CA C 56.8251 0.0000 1 247 58 58 LYS CB C 29.8604 0.0000 1 248 58 58 LYS N N 123.5201 0.0000 1 249 59 59 THR H H 7.3789 0.0000 1 250 59 59 THR C C 174.8699 0.0000 1 251 59 59 THR CA C 62.3348 0.0000 1 252 59 59 THR CB C 71.9632 0.0000 1 253 59 59 THR N N 111.2342 0.0000 1 254 60 60 PHE H H 10.4172 0.0000 1 255 60 60 PHE C C 174.5584 0.0000 1 256 60 60 PHE CA C 57.2789 0.0000 1 257 60 60 PHE CB C 42.9187 0.0000 1 258 60 60 PHE N N 131.1044 0.0000 1 259 61 61 THR H H 9.1181 0.0000 1 260 61 61 THR C C 172.5766 0.0000 1 261 61 61 THR CA C 61.6311 0.0000 1 262 61 61 THR CB C 71.1331 0.0000 1 263 61 61 THR N N 117.2708 0.0000 1 264 62 62 VAL H H 8.1810 0.0000 1 265 62 62 VAL C C 173.1597 0.0000 1 266 62 62 VAL CA C 58.0152 0.0000 1 267 62 62 VAL CB C 32.5091 0.0000 1 268 62 62 VAL N N 123.5347 0.0000 1 269 63 63 THR H H 8.3720 0.0000 1 270 63 63 THR C C 173.9748 0.0000 1 271 63 63 THR CA C 61.3748 0.0000 1 272 63 63 THR CB C 70.8913 0.0000 1 273 63 63 THR N N 124.0148 0.0000 1 274 64 64 GLU H H 7.8038 0.0000 1 275 64 64 GLU CA C 58.2297 0.0000 1 276 64 64 GLU CB C 32.8830 0.0000 1 277 64 64 GLU N N 134.1346 0.0000 1 stop_ save_