data_27220 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; ssNMR assignment of membrane embedded NaK channel (ion-favored conformer) ; _BMRB_accession_number 27220 _BMRB_flat_file_name bmr27220.str _Entry_type original _Submission_date 2017-08-15 _Accession_date 2017-08-15 _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 Shi Chaowei . . 2 He Yao . . 3 Hendriks Kitty . . 4 'de Groot' 'Bert L.' . . 5 Tian Changlin . . 6 Lange Adam . . 7 Sun Han . . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "13C chemical shifts" 231 "15N chemical shifts" 55 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2018-03-28 update BMRB 'update entry citation' 2018-02-19 original author 'original release' stop_ loop_ _Related_BMRB_accession_number _Relationship 27219 'membrane embedded NaK channel (ion-free conformer)' stop_ _Original_release_date 2017-08-15 save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full . _Citation_title ; A single NaK channel conformation is not enough for non-selective ion conduction ; _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 29459730 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Shi Chaowei . . 2 He Yao . . 3 Hendriks Kitty . . 4 'de Groot' Bert L. . 5 Cai Xiaoying . . 6 Tian Changlin . . 7 Lange Adam . . 8 Sun Han . . stop_ _Journal_abbreviation 'Nat. Commun.' _Journal_name_full 'Nature communications' _Journal_volume 9 _Journal_issue 1 _Journal_ISSN 2041-1723 _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 717 _Page_last 717 _Year 2018 _Details . save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name 'NaK channel' _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label 'NaK channel' $NaK_Channel 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_NaK_Channel _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common NaK_Channel _Molecular_mass . _Mol_thiol_state 'not present' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 106 _Mol_residue_sequence ; MGHHHHHHMAWKDKEFQVLF VLTILTLISGTIFYSTVEGL RPIDALYFSVVTLTTVGDGN FSPQTDFGKIFTILYIFIGI GLVFGFIHKLAVNVQLPSIL SNRKKE ; loop_ _Residue_seq_code _Residue_author_seq_code _Residue_label 1 9 MET 2 10 GLY 3 11 HIS 4 12 HIS 5 13 HIS 6 14 HIS 7 15 HIS 8 16 HIS 9 17 MET 10 18 ALA 11 19 TRP 12 20 LYS 13 21 ASP 14 22 LYS 15 23 GLU 16 24 PHE 17 25 GLN 18 26 VAL 19 27 LEU 20 28 PHE 21 29 VAL 22 30 LEU 23 31 THR 24 32 ILE 25 33 LEU 26 34 THR 27 35 LEU 28 36 ILE 29 37 SER 30 38 GLY 31 39 THR 32 40 ILE 33 41 PHE 34 42 TYR 35 43 SER 36 44 THR 37 45 VAL 38 46 GLU 39 47 GLY 40 48 LEU 41 49 ARG 42 50 PRO 43 51 ILE 44 52 ASP 45 53 ALA 46 54 LEU 47 55 TYR 48 56 PHE 49 57 SER 50 58 VAL 51 59 VAL 52 60 THR 53 61 LEU 54 62 THR 55 63 THR 56 64 VAL 57 65 GLY 58 66 ASP 59 67 GLY 60 68 ASN 61 69 PHE 62 70 SER 63 71 PRO 64 72 GLN 65 73 THR 66 74 ASP 67 75 PHE 68 76 GLY 69 77 LYS 70 78 ILE 71 79 PHE 72 80 THR 73 81 ILE 74 82 LEU 75 83 TYR 76 84 ILE 77 85 PHE 78 86 ILE 79 87 GLY 80 88 ILE 81 89 GLY 82 90 LEU 83 91 VAL 84 92 PHE 85 93 GLY 86 94 PHE 87 95 ILE 88 96 HIS 89 97 LYS 90 98 LEU 91 99 ALA 92 100 VAL 93 101 ASN 94 102 VAL 95 103 GLN 96 104 LEU 97 105 PRO 98 106 SER 99 107 ILE 100 108 LEU 101 109 SER 102 110 ASN 103 111 ARG 104 112 LYS 105 113 LYS 106 114 GLU stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date . loop_ _Database_name _Database_accession_code _Database_entry_mol_name _Sequence_query_to_submitted_percentage _Sequence_subject_length _Sequence_identity _Sequence_positive _Sequence_homology_expectation_value UniProt Q81HW2 . . . . . . stop_ save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species $NaK_Channel 'Bacillus cereus' 1396 Bacteria . Bacillus cereus 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 $NaK_Channel 'recombinant technology' . Escherichia coli . pET28 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Saveframe_category sample _Sample_type membrane _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $NaK_Channel 10 mg '[U-99% 13C; U-99% 15N]' TRIS 20 mM 'natural abundance' 'sodium chloride' 50 mM 'natural abundance' Asolectin 5 mg 'natural abundance' stop_ save_ ############################ # Computer software used # ############################ save_TOPSPIN _Saveframe_category software _Name TOPSPIN _Version . loop_ _Vendor _Address _Electronic_address 'Bruker Biospin' . . stop_ loop_ _Task collection processing stop_ _Details . save_ save_SPARKY _Saveframe_category software _Name SPARKY _Version . loop_ _Vendor _Address _Electronic_address Goddard . . stop_ loop_ _Task 'data analysis' stop_ _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model Avance _Field_strength 700 _Details . save_ ############################# # NMR applied experiments # ############################# save_2D_PDSD_1 _Saveframe_category NMR_applied_experiment _Experiment_name '2D PDSD' _Sample_label $sample_1 save_ save_2D_NCA_2 _Saveframe_category NMR_applied_experiment _Experiment_name '2D NCA' _Sample_label $sample_1 save_ save_2D_NCO_3 _Saveframe_category NMR_applied_experiment _Experiment_name '2D NCO' _Sample_label $sample_1 save_ save_3D_CANCO_4 _Saveframe_category NMR_applied_experiment _Experiment_name '3D CANCO' _Sample_label $sample_1 save_ save_3D_NCOCA_5 _Saveframe_category NMR_applied_experiment _Experiment_name '3D NCOCA' _Sample_label $sample_1 save_ save_3D_NCOCACB_6 _Saveframe_category NMR_applied_experiment _Experiment_name '3D NCOCACB' _Sample_label $sample_1 save_ save_2D_CANCOCA_7 _Saveframe_category NMR_applied_experiment _Experiment_name '2D CANCOCA' _Sample_label $sample_1 save_ save_3D_NCACX_8 _Saveframe_category NMR_applied_experiment _Experiment_name '3D NCACX' _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' 50 . mM pH 8 . pH pressure 1 . atm temperature 273 . 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 external indirect . . . 0.251449530 DSS N 15 'methyl protons' ppm 0 external indirect . . . 0.101329118 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_assigned_chem_shift_list_1 _Saveframe_category assigned_chemical_shifts _Details . loop_ _Experiment_label '2D PDSD' '2D NCA' '2D NCO' '3D CANCO' '3D NCOCA' '3D NCOCACB' '2D CANCOCA' '3D NCACX' 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 'NaK channel' _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 29 21 VAL C C 178.3 0.15 1 2 29 21 VAL CA C 67.37 0.10 1 3 29 21 VAL CB C 31.49 0.08 1 4 29 21 VAL CG1 C 23.82 0.06 2 5 29 21 VAL CG2 C 21.72 0.03 2 6 29 21 VAL N N 118.4 0.18 1 7 30 22 LEU C C 180.1 0.10 1 8 30 22 LEU CA C 58.17 0.11 1 9 30 22 LEU CB C 41.67 0.15 1 10 30 22 LEU CG C 26.63 0.05 1 11 30 22 LEU N N 118.4 0.14 1 12 31 23 THR C C 176.2 0.09 1 13 31 23 THR CA C 68.49 0.18 1 14 31 23 THR CB C 67.94 0.13 1 15 31 23 THR CG2 C 22.72 0.09 1 16 31 23 THR N N 120.8 0.13 1 17 32 24 ILE C C 178.4 0.10 1 18 32 24 ILE CA C 64.77 0.09 1 19 32 24 ILE CB C 36.49 0.08 1 20 32 24 ILE CG1 C 28.40 0.06 1 21 32 24 ILE CG2 C 17.88 0.06 1 22 32 24 ILE CD1 C 11.63 0.04 1 23 32 24 ILE N N 121.4 0.09 1 24 33 25 LEU C C 180.2 0.11 1 25 33 25 LEU CA C 58.23 0.07 1 26 33 25 LEU CB C 41.68 0.10 1 27 33 25 LEU CG C 26.69 0.06 1 28 33 25 LEU N N 119.1 0.14 1 29 34 26 THR C C 178.4 0.09 1 30 34 26 THR CA C 68.53 0.11 1 31 34 26 THR N N 121.1 0.14 1 32 35 27 LEU C C 180.5 0.11 1 33 35 27 LEU CA C 58.50 0.10 1 34 35 27 LEU CB C 42.62 0.09 1 35 35 27 LEU CG C 26.54 0.07 1 36 35 27 LEU CD1 C 24.15 0.03 1 37 35 27 LEU N N 124.9 0.20 1 38 36 28 ILE C C 177.3 0.07 1 39 36 28 ILE CA C 66.29 0.10 1 40 36 28 ILE CB C 38.26 0.10 1 41 36 28 ILE CG1 C 29.55 0.10 1 42 36 28 ILE CG2 C 17.52 0.03 1 43 36 28 ILE CD1 C 14.53 0.10 1 44 36 28 ILE N N 121.9 0.24 1 45 37 29 SER C C 176.4 0.08 1 46 37 29 SER CA C 63.92 0.10 1 47 37 29 SER CB C 62.98 0.15 1 48 37 29 SER N N 116.6 0.17 1 49 38 30 GLY C C 174.9 0.12 1 50 38 30 GLY CA C 47.16 0.09 1 51 38 30 GLY N N 108.0 0.16 1 52 39 31 THR C C 177.6 0.10 1 53 39 31 THR CA C 67.92 0.10 1 54 39 31 THR CB C 68.04 0.08 1 55 39 31 THR CG2 C 21.03 0.02 1 56 39 31 THR N N 118.7 0.17 1 57 40 32 ILE C C 178.3 0.19 1 58 40 32 ILE CA C 65.37 0.08 1 59 40 32 ILE CB C 38.39 0.12 1 60 40 32 ILE CG1 C 29.52 0.10 1 61 40 32 ILE CG2 C 17.65 0.07 1 62 40 32 ILE CD1 C 14.67 0.07 1 63 40 32 ILE N N 120.5 0.15 1 64 41 33 PHE C C 177.3 0.03 1 65 41 33 PHE CA C 63.23 0.08 1 66 41 33 PHE CB C 38.56 0.11 1 67 41 33 PHE N N 122.6 0.34 1 68 42 34 TYR C C 178.3 0.05 1 69 42 34 TYR CA C 62.93 0.09 1 70 42 34 TYR CB C 37.56 0.15 1 71 42 34 TYR N N 116.3 0.11 1 72 43 35 SER C C 175.4 0.11 1 73 43 35 SER CA C 60.65 0.09 1 74 43 35 SER CB C 64.19 0.02 1 75 43 35 SER N N 113.6 0.10 1 76 45 37 VAL C C 177.2 0.07 1 77 45 37 VAL CA C 65.26 0.09 1 78 45 37 VAL CB C 31.68 0.04 1 79 45 37 VAL CG1 C 22.69 0.05 2 80 45 37 VAL CG2 C 21.24 0.09 2 81 45 37 VAL N N 121.8 0.04 1 82 46 38 GLU C C 177.0 0.08 1 83 46 38 GLU CA C 55.62 0.08 1 84 46 38 GLU CB C 29.73 0.07 1 85 46 38 GLU CG C 36.68 0.07 1 86 46 38 GLU CD C 181.1 0.05 1 87 46 38 GLU N N 111.6 0.11 1 88 47 39 GLY C C 174.2 0.05 1 89 47 39 GLY CA C 46.70 0.06 1 90 47 39 GLY N N 105.7 0.18 1 91 48 40 LEU C C 177.9 0.10 1 92 48 40 LEU CA C 54.17 0.13 1 93 48 40 LEU CB C 42.82 0.09 1 94 48 40 LEU CG C 26.41 0.03 1 95 48 40 LEU CD1 C 24.64 0.04 2 96 48 40 LEU CD2 C 21.57 0.06 2 97 48 40 LEU N N 119.0 0.13 1 98 49 41 ARG C C 176.5 0.08 1 99 49 41 ARG CA C 55.45 0.09 1 100 49 41 ARG CB C 30.38 0.09 1 101 49 41 ARG CG C 27.83 0.08 1 102 49 41 ARG CD C 43.82 0.02 1 103 49 41 ARG CZ C 160.0 0.03 1 104 49 41 ARG N N 122.0 0.12 1 105 50 42 PRO C C 177.8 0.06 1 106 50 42 PRO CA C 66.69 0.09 1 107 50 42 PRO CB C 31.85 0.09 1 108 50 42 PRO CG C 28.00 0.03 1 109 50 42 PRO CD C 49.91 0.06 1 110 50 42 PRO N N 136.3 0.01 1 111 51 43 ILE C C 175.5 0.07 1 112 51 43 ILE CA C 63.53 0.08 1 113 51 43 ILE CB C 37.25 0.11 1 114 51 43 ILE CG1 C 29.80 0.05 1 115 51 43 ILE CG2 C 17.29 0.10 1 116 51 43 ILE CD1 C 14.05 0.03 1 117 51 43 ILE N N 114.5 0.16 1 118 52 44 ASP C C 178.0 0.08 1 119 52 44 ASP CA C 56.77 0.10 1 120 52 44 ASP CB C 40.49 0.04 1 121 52 44 ASP CG C 178.2 0.06 1 122 52 44 ASP N N 123.3 0.11 1 123 53 45 ALA C C 180.3 0.03 1 124 53 45 ALA CA C 54.73 0.05 1 125 53 45 ALA CB C 21.54 0.02 1 126 53 45 ALA N N 124.7 0.10 1 127 54 46 LEU C C 178.0 0.05 1 128 54 46 LEU CA C 57.75 0.11 1 129 54 46 LEU CB C 40.48 0.05 1 130 54 46 LEU CG C 27.53 0.05 1 131 54 46 LEU CD1 C 26.88 0.01 2 132 54 46 LEU CD2 C 22.52 0.04 2 133 54 46 LEU N N 123.7 0.07 1 134 55 47 TYR C C 176.8 0.06 1 135 55 47 TYR CA C 63.29 0.11 1 136 55 47 TYR CB C 39.17 0.14 1 137 55 47 TYR CG C 132.6 0.10 1 138 55 47 TYR N N 120.2 0.13 1 139 56 48 PHE C C 178.9 0.08 1 140 56 48 PHE CA C 61.85 0.10 1 141 56 48 PHE CB C 38.30 0.24 1 142 56 48 PHE N N 118.1 0.09 1 143 57 49 SER C C 176.6 0.13 1 144 57 49 SER CA C 64.38 0.08 1 145 57 49 SER CB C 62.42 0.09 1 146 57 49 SER N N 118.2 0.09 1 147 58 50 VAL C C 179.1 0.11 1 148 58 50 VAL CA C 67.33 0.09 1 149 58 50 VAL CB C 31.71 0.12 1 150 58 50 VAL CG1 C 23.75 0.08 2 151 58 50 VAL CG2 C 21.28 0.10 2 152 58 50 VAL N N 122.2 0.19 1 153 59 51 VAL C C 178.2 0.06 1 154 59 51 VAL CA C 65.13 0.06 1 155 59 51 VAL CB C 30.21 0.05 1 156 59 51 VAL CG1 C 20.15 0.04 2 157 59 51 VAL CG2 C 19.07 0.02 2 158 59 51 VAL N N 114.1 0.21 1 159 60 52 THR C C 175.0 0.10 1 160 60 52 THR CA C 67.21 0.08 1 161 60 52 THR CB C 67.78 0.10 1 162 60 52 THR N N 120.2 0.13 1 163 61 53 LEU C C 175.5 0.11 1 164 61 53 LEU CA C 57.75 0.14 1 165 61 53 LEU CB C 43.22 0.08 1 166 61 53 LEU CG C 26.16 0.13 1 167 61 53 LEU N N 120.7 0.10 1 168 62 54 THR C C 176.7 0.10 1 169 62 54 THR CA C 61.71 0.06 1 170 62 54 THR CB C 69.72 0.07 1 171 62 54 THR CG2 C 21.87 0.09 1 172 62 54 THR N N 98.30 0.14 1 173 63 55 THR C C 171.9 0.06 1 174 63 55 THR CA C 64.56 0.11 1 175 63 55 THR CB C 69.30 0.10 1 176 63 55 THR CG2 C 21.08 0.06 1 177 63 55 THR N N 110.8 0.12 1 178 64 56 VAL C C 178.0 0.05 1 179 64 56 VAL CA C 65.97 0.10 1 180 64 56 VAL CB C 32.93 0.10 1 181 64 56 VAL CG1 C 22.04 0.06 1 182 64 56 VAL N N 124.6 0.10 1 183 65 57 GLY C C 172.6 0.10 1 184 65 57 GLY CA C 43.70 0.06 1 185 65 57 GLY N N 102.3 0.19 1 186 71 63 PRO C C 175.7 0.09 1 187 71 63 PRO CA C 62.95 0.07 1 188 71 63 PRO CB C 31.85 0.08 1 189 71 63 PRO CG C 28.51 0.07 1 190 71 63 PRO CD C 50.44 0.05 1 191 72 64 GLN C C 178.1 0.07 1 192 72 64 GLN CA C 55.26 0.09 1 193 72 64 GLN CB C 31.64 0.02 1 194 72 64 GLN CG C 34.17 0.04 1 195 72 64 GLN CD C 180.6 0.09 1 196 72 64 GLN N N 121.3 0.11 1 197 73 65 THR C C 175.4 0.09 1 198 73 65 THR CA C 60.40 0.08 1 199 73 65 THR CB C 71.65 0.05 1 200 73 65 THR CG2 C 21.63 0.07 1 201 73 65 THR N N 115.6 0.11 1 202 74 66 ASP C C 179.0 0.08 1 203 74 66 ASP CA C 57.96 0.09 1 204 74 66 ASP CB C 39.07 0.08 1 205 74 66 ASP N N 125.6 0.06 1 206 75 67 PHE C C 177.9 0.03 1 207 75 67 PHE CA C 58.77 0.11 1 208 75 67 PHE CB C 38.24 0.03 1 209 75 67 PHE N N 119.1 0.10 1 210 76 68 GLY C C 178.1 0.07 1 211 76 68 GLY CA C 46.85 0.07 1 212 76 68 GLY N N 108.1 0.07 1 213 77 69 LYS C C 177.6 0.08 1 214 77 69 LYS CA C 61.44 0.07 1 215 77 69 LYS CB C 33.20 0.05 1 216 77 69 LYS CG C 26.92 0.09 1 217 77 69 LYS CD C 30.08 0.05 1 218 77 69 LYS CE C 42.61 0.02 1 219 77 69 LYS N N 127.4 0.08 1 220 78 70 ILE C C 177.4 0.07 1 221 78 70 ILE CA C 64.56 0.09 1 222 78 70 ILE CB C 37.34 0.09 1 223 78 70 ILE CG1 C 29.08 0.05 1 224 78 70 ILE CG2 C 17.78 0.09 1 225 78 70 ILE CD1 C 12.43 0.01 1 226 78 70 ILE N N 118.6 0.10 1 227 79 71 PHE C C 176.2 0.09 1 228 79 71 PHE CA C 62.25 0.10 1 229 79 71 PHE CB C 42.06 0.59 1 230 79 71 PHE N N 118.7 0.03 1 231 80 72 THR C C 174.6 0.09 1 232 80 72 THR CA C 67.09 0.08 1 233 80 72 THR CB C 69.08 0.06 1 234 80 72 THR CG2 C 21.11 0.10 1 235 80 72 THR N N 113.0 0.09 1 236 81 73 ILE C C 175.5 0.12 1 237 81 73 ILE CA C 66.30 0.09 1 238 81 73 ILE CB C 38.25 0.10 1 239 81 73 ILE CG1 C 29.52 0.03 1 240 81 73 ILE CG2 C 17.50 0.05 1 241 81 73 ILE CD1 C 14.03 0.10 1 242 81 73 ILE N N 120.5 0.09 1 243 82 74 LEU C C 177.0 0.09 1 244 82 74 LEU CA C 58.01 0.09 1 245 82 74 LEU CB C 41.35 0.05 1 246 82 74 LEU N N 116.8 0.07 1 247 83 75 TYR C C 177.1 0.08 1 248 83 75 TYR CA C 61.97 0.11 1 249 83 75 TYR CB C 40.17 0.20 1 250 83 75 TYR CG C 130.4 0.10 1 251 83 75 TYR N N 120.8 0.12 1 252 84 76 ILE C C 177.8 0.07 1 253 84 76 ILE CA C 65.21 0.08 1 254 84 76 ILE CB C 38.10 0.09 1 255 84 76 ILE CG1 C 30.43 0.06 1 256 84 76 ILE CG2 C 16.96 0.08 1 257 84 76 ILE CD1 C 16.19 0.02 1 258 84 76 ILE N N 117.4 0.10 1 259 85 77 PHE C C 178.1 0.05 1 260 85 77 PHE CA C 61.00 0.09 1 261 85 77 PHE CB C 37.55 0.15 1 262 85 77 PHE N N 117.1 0.15 1 263 86 78 ILE C C 177.7 0.11 1 264 86 78 ILE CA C 65.50 0.13 1 265 86 78 ILE CB C 36.76 0.09 1 266 86 78 ILE CG1 C 29.30 0.05 1 267 86 78 ILE CG2 C 17.77 0.07 1 268 86 78 ILE CD1 C 13.39 0.04 1 269 86 78 ILE N N 119.6 0.15 1 270 87 79 GLY C C 175.5 0.08 1 271 87 79 GLY CA C 48.41 0.08 1 272 87 79 GLY N N 107.9 0.08 1 273 88 80 ILE CA C 64.42 0.05 1 274 88 80 ILE CB C 37.33 0.03 1 275 88 80 ILE CG1 C 29.00 0.07 1 276 88 80 ILE CG2 C 17.83 0.08 1 277 88 80 ILE CD1 C 12.45 0.04 1 278 88 80 ILE N N 121.0 0.18 1 279 89 81 GLY C C 175.5 0.11 1 280 89 81 GLY CA C 48.17 0.10 1 281 89 81 GLY N N 107.8 0.01 1 282 90 82 LEU C C 179.1 0.14 1 283 90 82 LEU CA C 58.40 0.08 1 284 90 82 LEU CB C 41.76 0.04 1 285 90 82 LEU CG C 26.66 0.10 1 286 90 82 LEU N N 121.8 0.12 1 stop_ save_