data_19797 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; STRUCTURE OF THE NA,K-ATPASE REGULATORY PROTEIN FXYD2b IN MICELLES ; _BMRB_accession_number 19797 _BMRB_flat_file_name bmr19797.str _Entry_type original _Submission_date 2014-02-13 _Accession_date 2014-02-13 _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 Marassi Francesca M. . 2 Gong Xiao-Min . . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 225 "13C chemical shifts" 169 "15N chemical shifts" 60 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2014-05-12 original author . stop_ _Original_release_date 2014-05-12 save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full . _Citation_title 'Structure of the Na,K-ATPase regulatory protein FXYD2b in micelles: Implications for membrane-water interfacial arginines' _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 24794573 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Gong Xiao-Min . . 2 Marassi Francesca . . stop_ _Journal_abbreviation 'Biochim. Biophys. Acta' _Journal_volume . _Journal_issue . _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first . _Page_last . _Year . _Details . save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name 'NA,K-ATPASE REGULATORY PROTEIN FXYD2b' _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label FXYD2b $FXYD2b 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_FXYD2b _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common entity _Molecular_mass 7331.390 _Mol_thiol_state 'not present' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 64 _Mol_residue_sequence ; LDRWYLGGSPKGDVDPFYYD YETVRNGGLIFAGLAFIVGL LILLSRRFRSGGNKKRRQIN EDEP ; loop_ _Residue_seq_code _Residue_author_seq_code _Residue_label 1 1 LEU 2 2 ASP 3 3 ARG 4 4 TRP 5 5 TYR 6 6 LEU 7 7 GLY 8 8 GLY 9 9 SER 10 10 PRO 11 11 LYS 12 12 GLY 13 13 ASP 14 14 VAL 15 15 ASP 16 16 PRO 17 17 PHE 18 18 TYR 19 19 TYR 20 20 ASP 21 21 TYR 22 22 GLU 23 23 THR 24 24 VAL 25 25 ARG 26 26 ASN 27 27 GLY 28 28 GLY 29 29 LEU 30 30 ILE 31 31 PHE 32 32 ALA 33 33 GLY 34 34 LEU 35 35 ALA 36 36 PHE 37 37 ILE 38 38 VAL 39 39 GLY 40 40 LEU 41 41 LEU 42 42 ILE 43 43 LEU 44 44 LEU 45 45 SER 46 46 ARG 47 47 ARG 48 48 PHE 49 49 ARG 50 50 SER 51 51 GLY 52 52 GLY 53 53 ASN 54 54 LYS 55 55 LYS 56 56 ARG 57 57 ARG 58 58 GLN 59 59 ILE 60 60 ASN 61 61 GLU 62 62 ASP 63 63 GLU 64 64 PRO stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date 2015-01-29 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 PDB 2MKV "Structure Of The Na,k-atpase Regulatory Protein Fxyd2b In Micelles" 100.00 64 100.00 100.00 7.19e-37 GB AAG34359 "Na+,K+-ATPase gamma-subunit isoform 1 [Homo sapiens]" 90.63 66 98.28 98.28 1.27e-31 GB AAG34361 "Na+,K+-ATPase gamma-subunit isoform 1 [Homo sapiens]" 90.63 66 98.28 98.28 1.27e-31 GB AAG37906 "Na/K-ATPase gamma subunit splice variant a [Homo sapiens]" 90.63 66 98.28 98.28 1.27e-31 GB AAH13289 "FXYD domain containing ion transport regulator 2 [Homo sapiens]" 90.63 66 98.28 98.28 1.27e-31 GB AAX36673 "FXYD domain containing ion transport regulator 2 [synthetic construct]" 90.63 66 98.28 98.28 1.27e-31 REF NP_001671 "sodium/potassium-transporting ATPase subunit gamma isoform 1 [Homo sapiens]" 90.63 66 98.28 98.28 1.27e-31 SP P54710 "RecName: Full=Sodium/potassium-transporting ATPase subunit gamma; Short=Na(+)/K(+) ATPase subunit gamma; AltName: Full=FXYD dom" 90.63 66 98.28 98.28 1.27e-31 stop_ 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 $FXYD2b Human 9606 Eukaryota Metazoa Homo sapiens FXYD2b 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 _Details $FXYD2b 'recombinant technology' . Escherichia coli 'C41 DE3' na 'sequence contains the mutations M1L and C50S' stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Saveframe_category sample _Sample_type micelle _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $FXYD2b 0.2 mM '[U-99% 13C; U-99% 15N]' 'SDS micelles' 500 mM 'natural abundance' H2O 90 % 'natural abundance' D2O 10 % '[U-100% 2H]' stop_ save_ ############################ # Computer software used # ############################ save_X-PLOR_NIH _Saveframe_category software _Name X-PLOR_NIH _Version . loop_ _Vendor _Address _Electronic_address 'Schwieters, Kuszewski, Tjandra and Clore' . . stop_ loop_ _Task 'structure solution' stop_ _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model Avance _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_HNCA_2 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCA' _Sample_label $sample_1 save_ save_3D_CBCA(CO)NH_3 _Saveframe_category NMR_applied_experiment _Experiment_name '3D CBCA(CO)NH' _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_HNCO_5 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCO' _Sample_label $sample_1 save_ save_3D_H(CCO)NH_6 _Saveframe_category NMR_applied_experiment _Experiment_name '3D H(CCO)NH' _Sample_label $sample_1 save_ save_2D_1H-1H_TOCSY_7 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-1H TOCSY' _Sample_label $sample_1 save_ save_2D_1H-15N_HSQC_8 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-15N HSQC' _Sample_label $sample_1 save_ save_3D_1H-15N_NOESY_9 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-15N NOESY' _Sample_label $sample_1 save_ save_3D_1H-13C_NOESY_10 _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 '500 mM SDS micelles' loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units 'ionic strength' 50 . mM pH 5 . 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 0.00 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 '2D 1H-15N HSQC' '3D HNCA' '3D CBCA(CO)NH' '3D C(CO)NH' 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 FXYD2b _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 1 LEU HA H 4.15 . . 2 1 1 LEU HB2 H 1.86 . . 3 1 1 LEU HB3 H 1.86 . . 4 1 1 LEU C C 172.89 . . 5 1 1 LEU CA C 55.04 . . 6 1 1 LEU CB C 42.56 . . 7 2 2 ASP H H 8.56 . . 8 2 2 ASP HA H 4.62 . . 9 2 2 ASP HB2 H 2.76 . . 10 2 2 ASP HB3 H 2.76 . . 11 2 2 ASP C C 175.13 . . 12 2 2 ASP CA C 54.13 . . 13 2 2 ASP CB C 40.57 . . 14 2 2 ASP N N 123.32 . . 15 3 3 ARG H H 7.90 . . 16 3 3 ARG HA H 4.17 . . 17 3 3 ARG HB2 H 1.52 . . 18 3 3 ARG HB3 H 1.52 . . 19 3 3 ARG C C 175.60 . . 20 3 3 ARG CA C 56.35 . . 21 3 3 ARG CB C 30.82 . . 22 3 3 ARG N N 118.43 . . 23 4 4 TRP H H 7.64 . . 24 4 4 TRP HA H 4.66 . . 25 4 4 TRP HB2 H 3.27 . . 26 4 4 TRP HB3 H 3.27 . . 27 4 4 TRP C C 175.58 . . 28 4 4 TRP CA C 57.94 . . 29 4 4 TRP CB C 30.07 . . 30 4 4 TRP N N 119.87 . . 31 5 5 TYR H H 7.60 . . 32 5 5 TYR HA H 4.50 . . 33 5 5 TYR HB2 H 2.90 . . 34 5 5 TYR HB3 H 2.90 . . 35 5 5 TYR C C 175.53 . . 36 5 5 TYR CA C 58.09 . . 37 5 5 TYR CB C 38.71 . . 38 5 5 TYR N N 119.36 . . 39 6 6 LEU H H 7.81 . . 40 6 6 LEU HA H 4.29 . . 41 6 6 LEU HB2 H 1.68 . . 42 6 6 LEU HB3 H 1.68 . . 43 6 6 LEU C C 177.55 . . 44 6 6 LEU CA C 55.45 . . 45 6 6 LEU CB C 42.20 . . 46 6 6 LEU N N 121.77 . . 47 7 7 GLY H H 7.78 . . 48 7 7 GLY HA2 H 3.99 . . 49 7 7 GLY HA3 H 3.99 . . 50 7 7 GLY C C 174.78 . . 51 7 7 GLY CA C 45.76 . . 52 7 7 GLY N N 107.61 . . 53 8 8 GLY H H 7.98 . . 54 8 8 GLY HA2 H 4.04 . . 55 8 8 GLY HA3 H 4.04 . . 56 8 8 GLY C C 173.83 . . 57 8 8 GLY CA C 45.27 . . 58 8 8 GLY N N 108.05 . . 59 9 9 SER H H 8.06 . . 60 9 9 SER HA H 4.79 . . 61 9 9 SER HB2 H 3.92 . . 62 9 9 SER HB3 H 3.92 . . 63 9 9 SER CA C 56.45 . . 64 9 9 SER CB C 63.84 . . 65 9 9 SER N N 115.71 . . 66 10 10 PRO HA H 4.48 . . 67 10 10 PRO HB2 H 2.31 . . 68 10 10 PRO HB3 H 2.31 . . 69 10 10 PRO C C 177.07 . . 70 10 10 PRO CA C 63.64 . . 71 10 10 PRO CB C 32.14 . . 72 11 11 LYS H H 8.19 . . 73 11 11 LYS HA H 4.34 . . 74 11 11 LYS HB2 H 1.84 . . 75 11 11 LYS HB3 H 1.84 . . 76 11 11 LYS C C 177.17 . . 77 11 11 LYS CA C 56.77 . . 78 11 11 LYS CB C 33.04 . . 79 11 11 LYS N N 120.27 . . 80 12 12 GLY H H 8.17 . . 81 12 12 GLY HA2 H 4.02 . . 82 12 12 GLY HA3 H 4.02 . . 83 12 12 GLY C C 174.03 . . 84 12 12 GLY CA C 45.68 . . 85 12 12 GLY N N 108.68 . . 86 13 13 ASP H H 8.20 . . 87 13 13 ASP HA H 4.74 . . 88 13 13 ASP HB2 H 2.77 . . 89 13 13 ASP HB3 H 2.77 . . 90 13 13 ASP C C 175.54 . . 91 13 13 ASP CA C 53.86 . . 92 13 13 ASP CB C 40.06 . . 93 13 13 ASP N N 119.80 . . 94 14 14 VAL H H 7.83 . . 95 14 14 VAL HA H 4.21 . . 96 14 14 VAL HB H 2.16 . . 97 14 14 VAL C C 175.29 . . 98 14 14 VAL CA C 62.05 . . 99 14 14 VAL CB C 33.13 . . 100 14 14 VAL N N 118.29 . . 101 15 15 ASP H H 8.24 . . 102 15 15 ASP HA H 4.92 . . 103 15 15 ASP HB2 H 2.72 . . 104 15 15 ASP HB3 H 2.72 . . 105 15 15 ASP CA C 52.03 . . 106 15 15 ASP N N 123.26 . . 107 16 16 PRO HA H 4.44 . . 108 16 16 PRO HB2 H 2.18 . . 109 16 16 PRO HB3 H 2.18 . . 110 16 16 PRO C C 177.16 . . 111 16 16 PRO CA C 63.74 . . 112 16 16 PRO CB C 32.10 . . 113 17 17 PHE H H 8.04 . . 114 17 17 PHE HA H 4.55 . . 115 17 17 PHE HB2 H 3.19 . . 116 17 17 PHE HB3 H 3.19 . . 117 17 17 PHE C C 175.80 . . 118 17 17 PHE CA C 58.58 . . 119 17 17 PHE CB C 38.97 . . 120 17 17 PHE N N 118.36 . . 121 18 18 TYR H H 7.25 . . 122 18 18 TYR HA H 4.35 . . 123 18 18 TYR HB2 H 3.30 . . 124 18 18 TYR HB3 H 3.30 . . 125 18 18 TYR C C 174.86 . . 126 18 18 TYR CA C 58.34 . . 127 18 18 TYR CB C 38.50 . . 128 18 18 TYR N N 118.16 . . 129 19 19 TYR H H 7.42 . . 130 19 19 TYR HA H 4.44 . . 131 19 19 TYR HB2 H 2.94 . . 132 19 19 TYR HB3 H 2.94 . . 133 19 19 TYR C C 176.55 . . 134 19 19 TYR CA C 58.70 . . 135 19 19 TYR CB C 38.58 . . 136 19 19 TYR N N 120.03 . . 137 20 20 ASP H H 7.95 . . 138 20 20 ASP HA H 4.65 . . 139 20 20 ASP HB2 H 2.75 . . 140 20 20 ASP HB3 H 2.75 . . 141 20 20 ASP C C 175.29 . . 142 20 20 ASP CA C 53.90 . . 143 20 20 ASP CB C 39.17 . . 144 20 20 ASP N N 119.72 . . 145 21 21 TYR H H 7.86 . . 146 21 21 TYR HA H 4.46 . . 147 21 21 TYR HB2 H 3.09 . . 148 21 21 TYR HB3 H 3.09 . . 149 21 21 TYR C C 175.87 . . 150 21 21 TYR CA C 59.13 . . 151 21 21 TYR CB C 40.11 . . 152 21 21 TYR N N 120.49 . . 153 22 22 GLU H H 8.06 . . 154 22 22 GLU HA H 3.98 . . 155 22 22 GLU HB2 H 2.11 . . 156 22 22 GLU HB3 H 2.11 . . 157 22 22 GLU C C 176.53 . . 158 22 22 GLU CA C 57.24 . . 159 22 22 GLU CB C 30.94 . . 160 22 22 GLU N N 119.82 . . 161 23 23 THR H H 7.88 . . 162 23 23 THR HA H 4.35 . . 163 23 23 THR C C 175.29 . . 164 23 23 THR CA C 63.22 . . 165 23 23 THR CB C 69.06 . . 166 23 23 THR N N 113.57 . . 167 24 24 VAL H H 7.84 . . 168 24 24 VAL HA H 4.07 . . 169 24 24 VAL HB H 2.23 . . 170 24 24 VAL C C 176.43 . . 171 24 24 VAL CA C 63.87 . . 172 24 24 VAL CB C 32.11 . . 173 24 24 VAL N N 120.18 . . 174 25 25 ARG H H 8.07 . . 175 25 25 ARG HA H 4.34 . . 176 25 25 ARG HB2 H 1.85 . . 177 25 25 ARG HB3 H 1.85 . . 178 25 25 ARG C C 176.49 . . 179 25 25 ARG CA C 57.39 . . 180 25 25 ARG CB C 30.46 . . 181 25 25 ARG N N 120.98 . . 182 26 26 ASN H H 8.18 . . 183 26 26 ASN HA H 4.12 . . 184 26 26 ASN HB2 H 2.93 . . 185 26 26 ASN HB3 H 2.93 . . 186 26 26 ASN C C 176.18 . . 187 26 26 ASN CA C 54.04 . . 188 26 26 ASN CB C 38.72 . . 189 26 26 ASN N N 117.95 . . 190 27 27 GLY H H 8.34 . . 191 27 27 GLY HA2 H 3.92 . . 192 27 27 GLY HA3 H 3.92 . . 193 27 27 GLY C C 174.84 . . 194 27 27 GLY CA C 47.02 . . 195 27 27 GLY N N 108.19 . . 196 28 28 GLY H H 8.39 . . 197 28 28 GLY HA2 H 3.98 . . 198 28 28 GLY HA3 H 3.98 . . 199 28 28 GLY C C 175.03 . . 200 28 28 GLY CA C 47.33 . . 201 28 28 GLY N N 107.97 . . 202 29 29 LEU H H 7.96 . . 203 29 29 LEU HA H 4.16 . . 204 29 29 LEU HB2 H 1.66 . . 205 29 29 LEU HB3 H 1.66 . . 206 29 29 LEU C C 178.42 . . 207 29 29 LEU CA C 57.89 . . 208 29 29 LEU CB C 41.61 . . 209 29 29 LEU N N 120.29 . . 210 30 30 ILE H H 7.82 . . 211 30 30 ILE HA H 3.77 . . 212 30 30 ILE HB H 2.04 . . 213 30 30 ILE C C 177.22 . . 214 30 30 ILE CA C 65.04 . . 215 30 30 ILE CB C 37.17 . . 216 30 30 ILE N N 117.62 . . 217 31 31 PHE H H 8.00 . . 218 31 31 PHE HA H 4.27 . . 219 31 31 PHE HB2 H 3.21 . . 220 31 31 PHE HB3 H 3.21 . . 221 31 31 PHE C C 176.77 . . 222 31 31 PHE CA C 61.43 . . 223 31 31 PHE CB C 38.93 . . 224 31 31 PHE N N 118.21 . . 225 32 32 ALA H H 8.30 . . 226 32 32 ALA HA H 3.96 . . 227 32 32 ALA HB H 1.54 . . 228 32 32 ALA C C 178.78 . . 229 32 32 ALA CA C 55.46 . . 230 32 32 ALA CB C 18.34 . . 231 32 32 ALA N N 119.92 . . 232 33 33 GLY H H 8.46 . . 233 33 33 GLY HA2 H 3.63 . . 234 33 33 GLY HA3 H 3.63 . . 235 33 33 GLY C C 174.77 . . 236 33 33 GLY CA C 47.59 . . 237 33 33 GLY N N 103.76 . . 238 34 34 LEU H H 8.38 . . 239 34 34 LEU HA H 4.11 . . 240 34 34 LEU HB2 H 1.83 . . 241 34 34 LEU HB3 H 1.83 . . 242 34 34 LEU C C 177.97 . . 243 34 34 LEU CA C 57.82 . . 244 34 34 LEU CB C 42.12 . . 245 34 34 LEU N N 120.97 . . 246 35 35 ALA H H 8.45 . . 247 35 35 ALA HA H 3.83 . . 248 35 35 ALA HB H 1.33 . . 249 35 35 ALA C C 178.71 . . 250 35 35 ALA CA C 55.58 . . 251 35 35 ALA CB C 17.62 . . 252 35 35 ALA N N 120.35 . . 253 36 36 PHE H H 8.28 . . 254 36 36 PHE HA H 4.17 . . 255 36 36 PHE HB2 H 3.36 . . 256 36 36 PHE HB3 H 3.36 . . 257 36 36 PHE C C 174.17 . . 258 36 36 PHE CA C 61.47 . . 259 36 36 PHE CB C 39.49 . . 260 36 36 PHE N N 116.68 . . 261 37 37 ILE H H 8.18 . . 262 37 37 ILE HA H 3.60 . . 263 37 37 ILE HB H 2.17 . . 264 37 37 ILE C C 177.47 . . 265 37 37 ILE CA C 64.91 . . 266 37 37 ILE N N 117.95 . . 267 38 38 VAL H H 8.59 . . 268 38 38 VAL HA H 3.51 . . 269 38 38 VAL C C 177.87 . . 270 38 38 VAL CA C 67.65 . . 271 38 38 VAL N N 119.23 . . 272 39 39 GLY H H 8.70 . . 273 39 39 GLY HA2 H 3.61 . . 274 39 39 GLY HA3 H 3.61 . . 275 39 39 GLY C C 174.73 . . 276 39 39 GLY CA C 48.11 . . 277 39 39 GLY N N 106.73 . . 278 40 40 LEU H H 8.46 . . 279 40 40 LEU HA H 4.00 . . 280 40 40 LEU HB2 H 1.61 . . 281 40 40 LEU HB3 H 1.61 . . 282 40 40 LEU C C 178.72 . . 283 40 40 LEU CA C 58.41 . . 284 40 40 LEU CB C 41.32 . . 285 40 40 LEU N N 121.45 . . 286 41 41 LEU H H 8.40 . . 287 41 41 LEU HA H 4.07 . . 288 41 41 LEU HB2 H 2.07 . . 289 41 41 LEU HB3 H 2.07 . . 290 41 41 LEU C C 180.01 . . 291 41 41 LEU CA C 58.53 . . 292 41 41 LEU CB C 41.34 . . 293 41 41 LEU N N 118.70 . . 294 42 42 ILE H H 8.63 . . 295 42 42 ILE HA H 3.64 . . 296 42 42 ILE C C 178.57 . . 297 42 42 ILE CA C 66.12 . . 298 42 42 ILE N N 120.89 . . 299 43 43 LEU H H 8.44 . . 300 43 43 LEU HA H 3.98 . . 301 43 43 LEU HB2 H 1.65 . . 302 43 43 LEU HB3 H 1.65 . . 303 43 43 LEU C C 179.71 . . 304 43 43 LEU CA C 58.68 . . 305 43 43 LEU CB C 42.23 . . 306 43 43 LEU N N 121.16 . . 307 44 44 LEU H H 9.01 . . 308 44 44 LEU HA H 4.11 . . 309 44 44 LEU HB2 H 1.60 . . 310 44 44 LEU HB3 H 1.60 . . 311 44 44 LEU C C 179.20 . . 312 44 44 LEU CA C 58.32 . . 313 44 44 LEU CB C 41.58 . . 314 44 44 LEU N N 118.62 . . 315 45 45 SER H H 8.51 . . 316 45 45 SER HA H 4.17 . . 317 45 45 SER C C 174.86 . . 318 45 45 SER CA C 62.49 . . 319 45 45 SER N N 114.64 . . 320 46 46 ARG H H 8.24 . . 321 46 46 ARG HA H 4.44 . . 322 46 46 ARG HB2 H 1.98 . . 323 46 46 ARG HB3 H 1.98 . . 324 46 46 ARG C C 178.87 . . 325 46 46 ARG CA C 59.31 . . 326 46 46 ARG N N 121.41 . . 327 47 47 ARG H H 8.07 . . 328 47 47 ARG HA H 4.21 . . 329 47 47 ARG HB2 H 1.83 . . 330 47 47 ARG HB3 H 1.83 . . 331 47 47 ARG C C 178.12 . . 332 47 47 ARG CA C 58.01 . . 333 47 47 ARG N N 118.11 . . 334 48 48 PHE H H 8.25 . . 335 48 48 PHE HA H 4.69 . . 336 48 48 PHE HB2 H 3.39 . . 337 48 48 PHE HB3 H 3.39 . . 338 48 48 PHE C C 176.74 . . 339 48 48 PHE CA C 59.63 . . 340 48 48 PHE CB C 38.75 . . 341 48 48 PHE N N 117.12 . . 342 49 49 ARG H H 8.13 . . 343 49 49 ARG HA H 4.47 . . 344 49 49 ARG HB2 H 1.89 . . 345 49 49 ARG HB3 H 1.89 . . 346 49 49 ARG C C 177.08 . . 347 49 49 ARG CA C 57.40 . . 348 49 49 ARG CB C 28.85 . . 349 49 49 ARG N N 118.64 . . 350 50 50 SER H H 8.15 . . 351 50 50 SER HA H 4.53 . . 352 50 50 SER HB2 H 4.05 . . 353 50 50 SER HB3 H 4.05 . . 354 50 50 SER C C 175.65 . . 355 50 50 SER CA C 59.26 . . 356 50 50 SER CB C 63.95 . . 357 50 50 SER N N 115.03 . . 358 51 51 GLY H H 8.21 . . 359 51 51 GLY HA2 H 4.09 . . 360 51 51 GLY HA3 H 4.09 . . 361 51 51 GLY C C 174.88 . . 362 51 51 GLY CA C 45.87 . . 363 51 51 GLY N N 110.28 . . 364 52 52 GLY H H 8.19 . . 365 52 52 GLY HA2 H 4.03 . . 366 52 52 GLY HA3 H 4.03 . . 367 52 52 GLY C C 174.09 . . 368 52 52 GLY CA C 45.58 . . 369 52 52 GLY N N 108.12 . . 370 53 53 ASN H H 8.22 . . 371 53 53 ASN HA H 4.76 . . 372 53 53 ASN HB2 H 2.84 . . 373 53 53 ASN HB3 H 2.84 . . 374 53 53 ASN C C 175.16 . . 375 53 53 ASN CA C 53.66 . . 376 53 53 ASN CB C 39.17 . . 377 53 53 ASN N N 118.24 . . 378 54 54 LYS H H 8.18 . . 379 54 54 LYS HA H 4.37 . . 380 54 54 LYS HB2 H 1.85 . . 381 54 54 LYS HB3 H 1.85 . . 382 54 54 LYS C C 176.41 . . 383 54 54 LYS CA C 56.42 . . 384 54 54 LYS CB C 29.79 . . 385 54 54 LYS N N 120.89 . . 386 55 55 LYS H H 8.14 . . 387 55 55 LYS HA H 4.37 . . 388 55 55 LYS HB2 H 1.87 . . 389 55 55 LYS HB3 H 1.87 . . 390 55 55 LYS C C 176.73 . . 391 55 55 LYS CA C 56.62 . . 392 55 55 LYS CB C 33.01 . . 393 55 55 LYS N N 121.25 . . 394 56 56 ARG H H 8.11 . . 395 56 56 ARG HA H 4.40 . . 396 56 56 ARG HB2 H 1.90 . . 397 56 56 ARG HB3 H 1.90 . . 398 56 56 ARG C C 175.87 . . 399 56 56 ARG CA C 56.70 . . 400 56 56 ARG CB C 31.13 . . 401 56 56 ARG N N 120.30 . . 402 57 57 ARG H H 8.01 . . 403 57 57 ARG HA H 4.36 . . 404 57 57 ARG HB2 H 1.88 . . 405 57 57 ARG HB3 H 1.88 . . 406 57 57 ARG C C 175.94 . . 407 57 57 ARG CA C 56.37 . . 408 57 57 ARG CB C 30.97 . . 409 57 57 ARG N N 119.15 . . 410 58 58 GLN H H 8.12 . . 411 58 58 GLN HA H 4.40 . . 412 58 58 GLN HB2 H 2.06 . . 413 58 58 GLN HB3 H 2.06 . . 414 58 58 GLN C C 175.93 . . 415 58 58 GLN CA C 55.81 . . 416 58 58 GLN CB C 29.79 . . 417 58 58 GLN N N 119.98 . . 418 59 59 ILE H H 8.06 . . 419 59 59 ILE HA H 4.20 . . 420 59 59 ILE HB H 1.93 . . 421 59 59 ILE C C 175.93 . . 422 59 59 ILE CA C 61.56 . . 423 59 59 ILE CB C 38.81 . . 424 59 59 ILE N N 121.47 . . 425 60 60 ASN H H 8.41 . . 426 60 60 ASN HA H 4.81 . . 427 60 60 ASN HB2 H 2.85 . . 428 60 60 ASN HB3 H 2.85 . . 429 60 60 ASN C C 175.09 . . 430 60 60 ASN CA C 53.46 . . 431 60 60 ASN CB C 39.26 . . 432 60 60 ASN N N 122.18 . . 433 61 61 GLU H H 8.36 . . 434 61 61 GLU HA H 4.40 . . 435 61 61 GLU HB2 H 2.00 . . 436 61 61 GLU HB3 H 2.00 . . 437 61 61 GLU C C 175.83 . . 438 61 61 GLU CA C 56.11 . . 439 61 61 GLU CB C 29.75 . . 440 61 61 GLU N N 121.65 . . 441 62 62 ASP H H 8.35 . . 442 62 62 ASP HA H 4.68 . . 443 62 62 ASP HB2 H 2.72 . . 444 62 62 ASP HB3 H 2.72 . . 445 62 62 ASP C C 175.93 . . 446 62 62 ASP CA C 54.10 . . 447 62 62 ASP CB C 40.61 . . 448 62 62 ASP N N 121.23 . . 449 63 63 GLU H H 8.14 . . 450 63 63 GLU HA H 4.69 . . 451 63 63 GLU HB2 H 1.98 . . 452 63 63 GLU HB3 H 1.98 . . 453 63 63 GLU CA C 53.91 . . 454 63 63 GLU N N 122.18 . . stop_ save_