data_26623 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Backbone 1H, 13C, and 15N chemical shift assignments for integrin beta3 transmembrane and cytoplasmic tail domains ; _BMRB_accession_number 26623 _BMRB_flat_file_name bmr26623.str _Entry_type original _Submission_date 2015-08-02 _Accession_date 2015-08-02 _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 Lu Zhenwei . . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 71 "13C chemical shifts" 183 "15N chemical shifts" 70 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2017-03-03 original BMRB . stop_ loop_ _Related_BMRB_accession_number _Relationship 26624 'integrin beta1 TM/CT' stop_ _Original_release_date 2015-08-03 save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full . _Citation_title ; Implications of the differing roles of the beta1 and beta3 transmembrane and cytoplasmic domains for integrin function ; _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 27929375 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Lu Zhenwei . . 2 Mathew Sijo . . 3 Chen Jiang . . 4 Hadziselimovic Arina . . 5 Palamuttam Riya . . 6 Hudson Billy G. . 7 Fassler Reinhard . . 8 Pozzi Ambra . . 9 Sanders Charles R. . 10 Zent Roy . . stop_ _Journal_abbreviation Elife _Journal_name_full eLife _Journal_volume 5 _Journal_issue . _Journal_ISSN 2050-084X _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first e18633 _Page_last e18633 _Year 2016 _Details . save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name 'integrin beta3 TM/CT' _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label 'integrin beta3 TM/CT' $integrin_beta3_TM-CT stop_ _System_molecular_weight 9651.1 _System_physical_state native _System_oligomer_state ? _System_paramagnetic no _System_thiol_state . _Database_query_date . _Details . save_ ######################## # Monomeric polymers # ######################## save_integrin_beta3_TM-CT _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common integrin_beta3_TM-CT _Molecular_mass 9651.1 _Mol_thiol_state 'not present' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 85 _Mol_residue_sequence ; HHHHHHGPESPKGPDILVVL LSVMGAILLIGLAALLIWKL LITIHDRKEFAKFEEERARA KWDTANNPLYKEATSTFTNI TYRGT ; loop_ _Residue_seq_code _Residue_author_seq_code _Residue_label 1 -6 HIS 2 -5 HIS 3 -4 HIS 4 -3 HIS 5 -2 HIS 6 -1 HIS 7 0 GLY 8 1 PRO 9 2 GLU 10 3 SER 11 4 PRO 12 5 LYS 13 6 GLY 14 7 PRO 15 8 ASP 16 9 ILE 17 10 LEU 18 11 VAL 19 12 VAL 20 13 LEU 21 14 LEU 22 15 SER 23 16 VAL 24 17 MET 25 18 GLY 26 19 ALA 27 20 ILE 28 21 LEU 29 22 LEU 30 23 ILE 31 24 GLY 32 25 LEU 33 26 ALA 34 27 ALA 35 28 LEU 36 29 LEU 37 30 ILE 38 31 TRP 39 32 LYS 40 33 LEU 41 34 LEU 42 35 ILE 43 36 THR 44 37 ILE 45 38 HIS 46 39 ASP 47 40 ARG 48 41 LYS 49 42 GLU 50 43 PHE 51 44 ALA 52 45 LYS 53 46 PHE 54 47 GLU 55 48 GLU 56 49 GLU 57 50 ARG 58 51 ALA 59 52 ARG 60 53 ALA 61 54 LYS 62 55 TRP 63 56 ASP 64 57 THR 65 58 ALA 66 59 ASN 67 60 ASN 68 61 PRO 69 62 LEU 70 63 TYR 71 64 LYS 72 65 GLU 73 66 ALA 74 67 THR 75 68 SER 76 69 THR 77 70 PHE 78 71 THR 79 72 ASN 80 73 ILE 81 74 THR 82 75 TYR 83 76 ARG 84 77 GLY 85 78 THR 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 $integrin_beta3_TM-CT enterobacteria 562 Bacteria . Escherichia coli 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 $integrin_beta3_TM-CT 'recombinant technology' . Escherichia coli . pet16b stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Saveframe_category sample _Sample_type solution _Details '0.3mM integrin beta3 TM/CT in 20% q=0.3 D6PC/DMPC bicelle, 250mM IMD, pH 6.5' loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $integrin_beta3_TM-CT 0.3 mM '[U-100% 13C; U-100% 15N]' DHPC 88 mM 'natural abundance' DMPC 293 mM 'natural abundance' imidazole 250 mM 'natural abundance' H2O 90 % 'natural abundance' D2O 10 % 'natural abundance' stop_ save_ ############################ # Computer software used # ############################ 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' stop_ _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model Avance _Field_strength 900 _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_HNCO_2 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCO' _Sample_label $sample_1 save_ save_3D_HNCA_3 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCA' _Sample_label $sample_1 save_ save_3D_HNCACB_4 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCACB' _Sample_label $sample_1 save_ save_3D_HN(CO)CA_5 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HN(CO)CA' _Sample_label $sample_1 save_ save_3D_HCACO_6 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HCACO' _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' 0.25 . M pH 6.5 . pH pressure 1 . atm temperature 318 . 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 water C 13 protons ppm 4.582 internal indirect . . . 0.251493 water H 1 protons ppm 4.582 internal direct . . . 1 water N 15 protons ppm 4.582 internal indirect . . . 0.10134 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 HNCACB' '3D HNCA' '3D HNCO' 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 'integrin beta3 TM/CT' _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 8 PRO C C 177.0329 0.26 1 2 1 8 PRO CA C 63.4455 0.26 1 3 1 8 PRO CB C 32.1483 0.26 1 4 2 9 GLU H H 8.4542 0.0063 1 5 2 9 GLU C C 176.2535 0.26 1 6 2 9 GLU CA C 56.4662 0.26 1 7 2 9 GLU CB C 30.4640 0.26 1 8 2 9 GLU N N 121.2949 0.18 1 9 3 10 SER H H 8.1523 0.0063 1 10 3 10 SER CA C 56.5758 0.26 1 11 3 10 SER CB C 63.4510 0.26 1 12 3 10 SER N N 118.4234 0.18 1 13 4 11 PRO C C 176.6014 0.26 1 14 4 11 PRO CA C 63.3311 0.26 1 15 4 11 PRO CB C 32.0969 0.26 1 16 5 12 LYS H H 8.4059 0.0063 1 17 5 12 LYS C C 176.8384 0.26 1 18 5 12 LYS CA C 55.9962 0.26 1 19 5 12 LYS CB C 33.6614 0.26 1 20 5 12 LYS N N 121.7340 0.18 1 21 6 13 GLY H H 8.3111 0.0063 1 22 6 13 GLY CA C 45.6301 0.26 1 23 6 13 GLY N N 109.5819 0.18 1 24 7 14 PRO C C 177.7368 0.26 1 25 7 14 PRO CA C 59.1622 0.26 1 26 8 15 ASP H H 8.1426 0.0063 1 27 8 15 ASP C C 176.7797 0.26 1 28 8 15 ASP CA C 57.1274 0.26 1 29 8 15 ASP N N 120.7984 0.18 1 30 9 16 ILE H H 8.2884 0.0063 1 31 9 16 ILE C C 177.7976 0.26 1 32 9 16 ILE CA C 63.3826 0.26 1 33 9 16 ILE N N 121.8782 0.18 1 34 10 17 LEU H H 8.3088 0.0063 1 35 10 17 LEU C C 173.5583 0.26 1 36 10 17 LEU CA C 58.0322 0.26 1 37 10 17 LEU N N 119.9863 0.18 1 38 11 18 VAL H H 7.7107 0.0063 1 39 11 18 VAL C C 179.1218 0.26 1 40 11 18 VAL CA C 67.1252 0.26 1 41 11 18 VAL N N 118.4211 0.18 1 42 12 19 VAL H H 7.9013 0.0063 1 43 12 19 VAL C C 178.0533 0.26 1 44 12 19 VAL CA C 67.2980 0.26 1 45 12 19 VAL N N 121.9925 0.18 1 46 13 20 LEU H H 8.4204 0.0063 1 47 13 20 LEU C C 178.8654 0.26 1 48 13 20 LEU CA C 58.6019 0.26 1 49 13 20 LEU N N 119.5214 0.18 1 50 14 21 LEU H H 8.5561 0.0063 1 51 14 21 LEU C C 178.9029 0.26 1 52 14 21 LEU CA C 58.4259 0.26 1 53 14 21 LEU N N 117.9480 0.18 1 54 15 22 SER H H 8.0896 0.0063 1 55 15 22 SER CA C 58.3309 0.26 1 56 15 22 SER N N 116.2280 0.18 1 57 16 23 VAL C C 177.5186 0.26 1 58 17 24 MET H H 8.3102 0.0063 1 59 17 24 MET C C 178.1278 0.26 1 60 17 24 MET CA C 59.2994 0.26 1 61 17 24 MET N N 117.8147 0.18 1 62 18 25 GLY H H 8.7156 0.0063 1 63 18 25 GLY C C 174.1197 0.26 1 64 18 25 GLY CA C 47.7660 0.26 1 65 18 25 GLY N N 106.3804 0.18 1 66 19 26 ALA H H 8.1940 0.0063 1 67 19 26 ALA C C 178.8532 0.26 1 68 19 26 ALA CA C 55.8421 0.26 1 69 19 26 ALA N N 123.2800 0.18 1 70 20 27 ILE H H 8.0826 0.0063 1 71 20 27 ILE C C 177.5030 0.26 1 72 20 27 ILE CA C 63.4000 0.26 1 73 20 27 ILE N N 116.9032 0.18 1 74 21 28 LEU H H 8.1027 0.0063 1 75 21 28 LEU C C 178.6870 0.26 1 76 21 28 LEU CA C 56.5500 0.26 1 77 21 28 LEU N N 119.4884 0.18 1 78 22 29 LEU H H 8.0971 0.0063 1 79 22 29 LEU CA C 59.0120 0.26 1 80 22 29 LEU N N 117.8840 0.18 1 81 23 30 ILE H H 8.3102 0.0063 1 82 23 30 ILE C C 177.6556 0.26 1 83 23 30 ILE CA C 68.6093 0.26 1 84 23 30 ILE N N 118.4917 0.18 1 85 24 31 GLY H H 8.6092 0.0063 1 86 24 31 GLY C C 175.8088 0.26 1 87 24 31 GLY CA C 47.3297 0.26 1 88 24 31 GLY N N 107.8509 0.18 1 89 25 32 LEU H H 8.6624 0.0063 1 90 25 32 LEU C C 178.3050 0.26 1 91 25 32 LEU CA C 56.2197 0.26 1 92 25 32 LEU N N 121.8097 0.18 1 93 26 33 ALA H H 8.3360 0.0063 1 94 26 33 ALA C C 178.8228 0.26 1 95 26 33 ALA CA C 55.7803 0.26 1 96 26 33 ALA N N 120.8618 0.18 1 97 27 34 ALA H H 8.4995 0.0063 1 98 27 34 ALA C C 178.1257 0.26 1 99 27 34 ALA CA C 55.6367 0.26 1 100 27 34 ALA N N 118.9878 0.18 1 101 28 35 LEU H H 8.1445 0.0063 1 102 28 35 LEU C C 178.5669 0.26 1 103 28 35 LEU CA C 58.4746 0.26 1 104 28 35 LEU N N 118.4214 0.18 1 105 29 36 LEU H H 8.2304 0.0063 1 106 29 36 LEU C C 178.5148 0.26 1 107 29 36 LEU CA C 58.6034 0.26 1 108 29 36 LEU N N 118.9831 0.18 1 109 30 37 ILE H H 8.3764 0.0063 1 110 30 37 ILE C C 177.0140 0.26 1 111 30 37 ILE CA C 65.2725 0.26 1 112 30 37 ILE N N 118.7505 0.18 1 113 31 38 TRP H H 8.5181 0.0063 1 114 31 38 TRP C C 177.0161 0.26 1 115 31 38 TRP CA C 63.3877 0.26 1 116 31 38 TRP N N 121.3306 0.18 1 117 32 39 LYS H H 8.3588 0.0063 1 118 32 39 LYS C C 179.6125 0.26 1 119 32 39 LYS CA C 58.3803 0.26 1 120 32 39 LYS N N 116.4288 0.18 1 121 33 40 LEU H H 8.3790 0.0063 1 122 33 40 LEU C C 179.3460 0.26 1 123 33 40 LEU CA C 58.5246 0.26 1 124 33 40 LEU N N 121.9116 0.18 1 125 34 41 LEU H H 8.1014 0.0063 1 126 34 41 LEU C C 177.5564 0.26 1 127 34 41 LEU CA C 58.7700 0.26 1 128 34 41 LEU N N 117.5424 0.18 1 129 35 42 ILE H H 8.4256 0.0063 1 130 35 42 ILE C C 177.8646 0.26 1 131 35 42 ILE CA C 68.5890 0.26 1 132 35 42 ILE N N 119.4693 0.18 1 133 36 43 THR H H 7.6697 0.0063 1 134 36 43 THR C C 176.5292 0.26 1 135 36 43 THR CA C 66.5728 0.26 1 136 36 43 THR N N 117.0530 0.18 1 137 37 44 ILE H H 8.0972 0.0063 1 138 37 44 ILE C C 177.4000 0.26 1 139 37 44 ILE N N 120.0950 0.18 1 140 38 45 HIS H H 8.0079 0.0063 1 141 38 45 HIS C C 175.7832 0.26 1 142 38 45 HIS CA C 58.7067 0.26 1 143 38 45 HIS CB C 32.6021 0.26 1 144 38 45 HIS N N 119.2870 0.18 1 145 39 46 ASP H H 8.1901 0.0063 1 146 39 46 ASP C C 177.2490 0.26 1 147 39 46 ASP CA C 55.6916 0.26 1 148 39 46 ASP N N 119.8351 0.18 1 149 40 47 ARG H H 7.9562 0.0063 1 150 40 47 ARG C C 177.6434 0.26 1 151 40 47 ARG CA C 57.4500 0.26 1 152 40 47 ARG CB C 30.1775 0.26 1 153 40 47 ARG N N 120.5192 0.18 1 154 41 48 LYS H H 8.2388 0.0063 1 155 41 48 LYS CA C 56.7601 0.26 1 156 41 48 LYS N N 121.4563 0.18 1 157 42 49 GLU C C 177.3910 0.26 1 158 42 49 GLU CA C 57.7000 0.26 1 159 43 50 PHE H H 7.9735 0.0063 1 160 43 50 PHE C C 176.3013 0.26 1 161 43 50 PHE CA C 62.6633 0.26 1 162 43 50 PHE CB C 39.3628 0.26 1 163 43 50 PHE N N 119.9025 0.18 1 164 44 51 ALA H H 7.9000 0.0063 1 165 44 51 ALA C C 178.4998 0.26 1 166 44 51 ALA CA C 53.6601 0.26 1 167 44 51 ALA N N 123.2890 0.18 1 168 45 52 LYS H H 7.7960 0.0063 1 169 45 52 LYS C C 177.2952 0.26 1 170 45 52 LYS CA C 57.5329 0.26 1 171 45 52 LYS CB C 32.5986 0.26 1 172 45 52 LYS N N 119.2900 0.18 1 173 46 53 PHE H H 7.8997 0.0063 1 174 46 53 PHE CA C 59.1508 0.26 1 175 46 53 PHE CB C 39.0887 0.26 1 176 46 53 PHE N N 120.6006 0.18 1 177 47 54 GLU C C 177.6215 0.26 1 178 48 55 GLU H H 8.1008 0.0063 1 179 48 55 GLU CA C 58.1357 0.26 1 180 48 55 GLU CB C 30.0627 0.26 1 181 48 55 GLU N N 121.3871 0.18 1 182 49 56 GLU H H 7.9868 0.0063 1 183 49 56 GLU C C 177.9345 0.26 1 184 49 56 GLU CA C 58.0900 0.26 1 185 49 56 GLU CB C 30.2641 0.26 1 186 50 57 ARG H H 7.9872 0.0063 1 187 50 57 ARG C C 177.1265 0.26 1 188 50 57 ARG CA C 57.5216 0.26 1 189 50 57 ARG CB C 30.2641 0.26 1 190 50 57 ARG N N 120.5585 0.18 1 191 51 58 ALA H H 7.8754 0.0063 1 192 51 58 ALA C C 178.3435 0.26 1 193 51 58 ALA CA C 53.4752 0.26 1 194 51 58 ALA CB C 18.8823 0.26 1 195 51 58 ALA N N 122.9876 0.18 1 196 52 59 ARG H H 7.8017 0.0063 1 197 52 59 ARG C C 176.5030 0.26 1 198 52 59 ARG CA C 56.9364 0.26 1 199 52 59 ARG CB C 30.7017 0.26 1 200 52 59 ARG N N 118.8901 0.18 1 201 53 60 ALA H H 7.8700 0.0063 1 202 53 60 ALA CA C 52.8569 0.26 1 203 53 60 ALA CB C 19.0362 0.26 1 204 53 60 ALA N N 123.5206 0.18 1 205 54 61 LYS H H 7.8282 0.0063 1 206 54 61 LYS C C 177.1427 0.26 1 207 54 61 LYS CA C 56.8634 0.26 1 208 54 61 LYS CB C 32.8929 0.26 1 209 54 61 LYS N N 119.3987 0.18 1 210 55 62 TRP H H 7.8373 0.0063 1 211 55 62 TRP C C 175.8817 0.26 1 212 55 62 TRP CA C 57.1635 0.26 1 213 55 62 TRP CB C 29.6056 0.26 1 214 55 62 TRP N N 120.5594 0.18 1 215 56 63 ASP H H 8.0813 0.0063 1 216 56 63 ASP C C 176.6359 0.26 1 217 56 63 ASP CA C 54.3998 0.26 1 218 56 63 ASP CB C 41.3266 0.26 1 219 56 63 ASP N N 121.8416 0.18 1 220 57 64 THR H H 7.8877 0.0063 1 221 57 64 THR C C 174.8447 0.26 1 222 57 64 THR CA C 62.6546 0.26 1 223 57 64 THR CB C 69.5535 0.26 1 224 57 64 THR N N 114.1289 0.18 1 225 58 65 ALA H H 8.0670 0.0063 1 226 58 65 ALA C C 177.5228 0.26 1 227 58 65 ALA CA C 53.2106 0.26 1 228 58 65 ALA CB C 19.1689 0.26 1 229 58 65 ALA N N 124.8716 0.18 1 230 59 66 ASN H H 8.0004 0.0063 1 231 59 66 ASN C C 174.3671 0.26 1 232 59 66 ASN CA C 53.1431 0.26 1 233 59 66 ASN CB C 39.2085 0.26 1 234 59 66 ASN N N 116.4221 0.18 1 235 60 67 ASN H H 7.9450 0.0063 1 236 60 67 ASN CA C 51.4698 0.26 1 237 60 67 ASN CB C 39.3170 0.26 1 238 60 67 ASN N N 120.0010 0.18 1 239 61 68 PRO C C 177.1583 0.26 1 240 61 68 PRO CA C 64.0831 0.26 1 241 61 68 PRO CB C 32.2368 0.26 1 242 62 69 LEU H H 8.0307 0.0063 1 243 62 69 LEU C C 177.2979 0.26 1 244 62 69 LEU CA C 56.1666 0.26 1 245 62 69 LEU CB C 46.7869 0.26 1 246 62 69 LEU N N 119.8267 0.18 1 247 63 70 TYR H H 7.6155 0.0063 1 248 63 70 TYR C C 175.9666 0.26 1 249 63 70 TYR CA C 58.1926 0.26 1 250 63 70 TYR CB C 38.6175 0.26 1 251 63 70 TYR N N 118.7448 0.18 1 252 64 71 LYS H H 7.8029 0.0063 1 253 64 71 LYS C C 176.6590 0.26 1 254 64 71 LYS CA C 56.9479 0.26 1 255 64 71 LYS CB C 33.1761 0.26 1 256 64 71 LYS N N 122.3095 0.18 1 257 65 72 GLU H H 8.1521 0.0063 1 258 65 72 GLU C C 176.8514 0.26 1 259 65 72 GLU CA C 57.0859 0.26 1 260 65 72 GLU CB C 30.0977 0.26 1 261 65 72 GLU N N 121.3914 0.18 1 262 66 73 ALA H H 8.1939 0.0063 1 263 66 73 ALA C C 178.0385 0.26 1 264 66 73 ALA CA C 53.2569 0.26 1 265 66 73 ALA CB C 19.2638 0.26 1 266 66 73 ALA N N 124.5340 0.18 1 267 67 74 THR H H 7.9184 0.0063 1 268 67 74 THR C C 175.1410 0.26 1 269 67 74 THR CA C 62.6601 0.26 1 270 67 74 THR CB C 69.7090 0.26 1 271 67 74 THR N N 111.9176 0.18 1 272 68 75 SER H H 8.0708 0.0063 1 273 68 75 SER C C 174.8746 0.26 1 274 68 75 SER CA C 58.9712 0.26 1 275 68 75 SER CB C 63.8896 0.26 1 276 68 75 SER N N 117.8760 0.18 1 277 69 76 THR H H 7.9550 0.0063 1 278 69 76 THR C C 174.5743 0.26 1 279 69 76 THR CA C 63.1300 0.26 1 280 69 76 THR CB C 69.6438 0.26 1 281 69 76 THR N N 116.2625 0.18 1 282 70 77 PHE H H 8.0717 0.0063 1 283 70 77 PHE C C 175.8545 0.26 1 284 70 77 PHE CA C 58.3673 0.26 1 285 70 77 PHE CB C 39.4266 0.26 1 286 70 77 PHE N N 120.9755 0.18 1 287 71 78 THR H H 7.8321 0.0063 1 288 71 78 THR C C 174.1861 0.26 1 289 71 78 THR CA C 62.6720 0.26 1 290 71 78 THR CB C 69.6986 0.26 1 291 71 78 THR N N 113.9323 0.18 1 292 72 79 ASN H H 8.1510 0.0063 1 293 72 79 ASN C C 175.1569 0.26 1 294 72 79 ASN CA C 53.6643 0.26 1 295 72 79 ASN CB C 38.9799 0.26 1 296 72 79 ASN N N 120.6291 0.18 1 297 73 80 ILE H H 7.8525 0.0063 1 298 73 80 ILE C C 175.8133 0.26 1 299 73 80 ILE CA C 61.7348 0.26 1 300 73 80 ILE CB C 38.8063 0.26 1 301 73 80 ILE N N 120.2772 0.18 1 302 74 81 THR H H 7.8929 0.0063 1 303 74 81 THR C C 174.0404 0.26 1 304 74 81 THR CA C 61.9767 0.26 1 305 74 81 THR CB C 69.9095 0.26 1 306 74 81 THR N N 116.7972 0.18 1 307 75 82 TYR H H 8.0058 0.0063 1 308 75 82 TYR C C 175.3589 0.26 1 309 75 82 TYR CA C 58.1605 0.26 1 310 75 82 TYR CB C 38.9193 0.26 1 311 75 82 TYR N N 122.9636 0.18 1 312 76 83 ARG H H 8.0382 0.0063 1 313 76 83 ARG C C 176.1284 0.26 1 314 76 83 ARG CA C 56.0355 0.26 1 315 76 83 ARG CB C 31.0655 0.26 1 316 76 83 ARG N N 123.4651 0.18 1 317 77 84 GLY H H 7.7317 0.0063 1 318 77 84 GLY C C 173.2796 0.26 1 319 77 84 GLY CA C 45.4963 0.26 1 320 77 84 GLY N N 109.7102 0.18 1 321 78 85 THR H H 7.5122 0.0063 1 322 78 85 THR CA C 63.1670 0.26 1 323 78 85 THR CB C 70.8662 0.26 1 324 78 85 THR N N 118.5224 0.18 1 stop_ save_