data_18256 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; R state structure of monomeric phospholamban (C36A, C41F, C46A) ; _BMRB_accession_number 18256 _BMRB_flat_file_name bmr18256.str _Entry_type original _Submission_date 2012-02-11 _Accession_date 2012-02-11 _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 'De Simone' Alfonso . . 2 Montalvao Rinaldo W. . 3 Gustavsson Martin . . 4 Shi Lei . . 5 Veglia Gianluigi . . 6 Vendruscolo Michele . . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 101 "13C chemical shifts" 152 "15N chemical shifts" 50 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2014-02-24 update BMRB 'update entry citation' 2013-02-11 original author 'original release' stop_ save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full . _Citation_title 'Structures of the excited states of phospholamban and shifts in their populations upon phosphorylation.' _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 23968132 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 'De Simone' Alfonso . . 2 Gustavsson Martin . . 3 Montalvao Rinaldo W. . 4 Shi Lei . . 5 Veglia Gianluigi . . 6 Vendruscolo Michele . . stop_ _Journal_abbreviation Biochemistry _Journal_name_full Biochemistry _Journal_volume 52 _Journal_issue 38 _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 6684 _Page_last 6694 _Year 2013 _Details . save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name 'monomeric phospholamban (C36A, C41F, C46A)' _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label 'monomeric phospholamban (C36A, C41F, C46A)' $Phospholamban 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_Phospholamban _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common Phospholamban _Molecular_mass 6150.531 _Mol_thiol_state 'not present' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 53 _Mol_residue_sequence ; AMEKVQYLTRSAIRRASTIE MPQQARQNLQNLFINFALIL IFLLLIAIIVMLL ; loop_ _Residue_seq_code _Residue_label 1 ALA 2 MET 3 GLU 4 LYS 5 VAL 6 GLN 7 TYR 8 LEU 9 THR 10 ARG 11 SER 12 ALA 13 ILE 14 ARG 15 ARG 16 ALA 17 SER 18 THR 19 ILE 20 GLU 21 MET 22 PRO 23 GLN 24 GLN 25 ALA 26 ARG 27 GLN 28 ASN 29 LEU 30 GLN 31 ASN 32 LEU 33 PHE 34 ILE 35 ASN 36 PHE 37 ALA 38 LEU 39 ILE 40 LEU 41 ILE 42 PHE 43 LEU 44 LEU 45 LEU 46 ILE 47 ALA 48 ILE 49 ILE 50 VAL 51 MET 52 LEU 53 LEU stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date 2015-03-16 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 BMRB 25222 Phospholamban 100.00 52 98.11 98.11 3.78e-13 PDB 1N7L "Solution Nmr Structure Of Phospholamban In Detergent Micelles" 100.00 53 100.00 100.00 8.45e-16 PDB 2KB7 "Hybrid Solution And Solid-State Nmr Structure Of Monomeric Phospholamban In Lipid Bilayers" 100.00 53 100.00 100.00 8.45e-16 PDB 2LPF "R State Structure Of Monomeric Phospholamban (c36a, C41f, C46a)" 100.00 53 100.00 100.00 8.45e-16 PDB 4Y3U "The Structure Of Phospholamban Bound To The Calcium Pump Serca1a" 66.04 50 97.14 100.00 5.45e-15 stop_ save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species $Phospholamban Rabbit 9986 Eukaryota Metazoa Oryctolagus cuniculus 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 $Phospholamban 'recombinant technology' . Escherichia coli . pMal 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 _Isotopic_labeling $Phospholamban 1-1.5 mM '[U-99% 13C; U-99% 15N]' 'sodium chloride' 120 mM 'natural abundance' D2O 5 % 'natural abundance' 'sodium phosphate' 20 mM 'natural abundance' dodecylphosphocholine 100 mM 'natural abundance' stop_ save_ save_Sample_2 _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $Phospholamban 1-1.5 mM '[U-99% 13C; U-99% 15N]' 'sodium chloride' 120 mM 'natural abundance' D2O 5 % 'natural abundance' 'sodium phosphate' 20 mM 'natural abundance' dodecylphosphocholine 100 mM 'natural abundance' acrylamide 5.1 % 'natural abundance' bis-acrylamide 1.3 % 'natural abundance' stop_ save_ save_sample_3 _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $Phospholamban 1-1.5 mM '[U-99% 13C; U-99% 15N]' 'sodium chloride' 120 mM 'natural abundance' D2O 5 % 'natural abundance' 'sodium phosphate' 20 mM 'natural abundance' dodecylphosphocholine 100 mM 'natural abundance' acrylamide 3.85 % 'natural abundance' bis-acrylamide 1.3 % 'natural abundance' '2-(acrylamido)-2-methyl-1-propanesulfonic acid' 1.25 % 'natural abundance' stop_ save_ ############################ # Computer software used # ############################ save_SPARKY _Saveframe_category software _Name SPARKY _Version . loop_ _Vendor _Address _Electronic_address Goddard . . stop_ loop_ _Task 'data analysis' 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_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Varian _Model VNMRS _Field_strength 600 _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_HNCO_2 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCO' _Sample_label $Sample_2 save_ save_3D_C(CO)NH_3 _Saveframe_category NMR_applied_experiment _Experiment_name '3D C(CO)NH' _Sample_label $sample_1 save_ save_2D_1H-15N_HSQC_4 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-15N HSQC' _Sample_label $sample_1 save_ save_2D_1H-15N_HSQC_5 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-15N HSQC' _Sample_label $Sample_2 save_ save_2D_1H-15N_HSQC_6 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-15N HSQC' _Sample_label $sample_3 save_ save_2D_HN(a/b-NCO-J)-TROSY_7 _Saveframe_category NMR_applied_experiment _Experiment_name '2D HN(a/b-NCO-J)-TROSY' _Sample_label $sample_1 save_ save_2D_HN(a/b-NC0-J)-TROSY_8 _Saveframe_category NMR_applied_experiment _Experiment_name '2D HN(a/b-NC0-J)-TROSY' _Sample_label $Sample_2 save_ save_3D_C(CO)NH_9 _Saveframe_category NMR_applied_experiment _Experiment_name '3D C(CO)NH' _Sample_label $sample_1 save_ save_3D_H(CCO)NH_10 _Saveframe_category NMR_applied_experiment _Experiment_name '3D H(CCO)NH' _Sample_label $sample_1 save_ save_NMR_spectrometer_expt _Saveframe_category NMR_applied_experiment _Experiment_name . _BMRB_pulse_sequence_accession_number . _Details . 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' 0.120 . M pH 6.0 . pH pressure 1 . atm temperature 310 . 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 C(CO)NH' '3D H(CCO)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 'monomeric phospholamban (C36A, C41F, C46A)' _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 2 2 MET HA H 4.070 . 1 2 2 2 MET C C 176.670 . 1 3 2 2 MET CA C 56.860 . 1 4 2 2 MET CB C 32.740 . 1 5 3 3 GLU H H 9.250 . 1 6 3 3 GLU HA H 4.150 . 1 7 3 3 GLU C C 178.300 . 1 8 3 3 GLU CA C 59.520 . 1 9 3 3 GLU CB C 28.700 . 1 10 3 3 GLU N N 121.650 . 1 11 4 4 LYS H H 8.290 . 1 12 4 4 LYS HA H 4.190 . 1 13 4 4 LYS C C 178.010 . 1 14 4 4 LYS CA C 58.680 . 1 15 4 4 LYS CB C 32.720 . 1 16 4 4 LYS N N 120.150 . 1 17 5 5 VAL H H 7.770 . 1 18 5 5 VAL HA H 3.750 . 1 19 5 5 VAL C C 178.040 . 1 20 5 5 VAL CA C 65.500 . 1 21 5 5 VAL CB C 31.880 . 1 22 5 5 VAL N N 117.680 . 1 23 6 6 GLN H H 8.340 . 1 24 6 6 GLN HA H 4.030 . 1 25 6 6 GLN C C 176.990 . 1 26 6 6 GLN CA C 59.060 . 1 27 6 6 GLN CB C 28.770 . 1 28 6 6 GLN N N 120.890 . 1 29 7 7 TYR H H 8.000 . 1 30 7 7 TYR HA H 4.280 . 1 31 7 7 TYR C C 177.890 . 1 32 7 7 TYR CA C 61.010 . 1 33 7 7 TYR CB C 38.420 . 1 34 7 7 TYR N N 118.960 . 1 35 8 8 LEU H H 8.160 . 1 36 8 8 LEU HA H 4.070 . 1 37 8 8 LEU C C 177.700 . 1 38 8 8 LEU CA C 57.200 . 1 39 8 8 LEU CB C 42.140 . 1 40 8 8 LEU N N 120.330 . 1 41 9 9 THR H H 8.030 . 1 42 9 9 THR HA H 3.980 . 1 43 9 9 THR C C 176.070 . 1 44 9 9 THR CA C 65.610 . 1 45 9 9 THR CB C 68.960 . 1 46 9 9 THR N N 112.710 . 1 47 10 10 ARG H H 8.360 . 1 48 10 10 ARG HA H 3.960 . 1 49 10 10 ARG C C 178.750 . 1 50 10 10 ARG CA C 59.700 . 1 51 10 10 ARG CB C 30.070 . 1 52 10 10 ARG N N 120.580 . 1 53 11 11 SER H H 8.040 . 1 54 11 11 SER HA H 4.140 . 1 55 11 11 SER C C 176.120 . 1 56 11 11 SER CA C 61.210 . 1 57 11 11 SER CB C 62.950 . 1 58 11 11 SER N N 114.560 . 1 59 12 12 ALA H H 8.210 . 1 60 12 12 ALA HA H 4.040 . 1 61 12 12 ALA C C 178.730 . 1 62 12 12 ALA CA C 55.550 . 1 63 12 12 ALA CB C 18.680 . 1 64 12 12 ALA N N 124.480 . 1 65 13 13 ILE H H 8.010 . 1 66 13 13 ILE HA H 3.670 . 1 67 13 13 ILE C C 177.970 . 1 68 13 13 ILE CA C 64.800 . 1 69 13 13 ILE CB C 38.020 . 1 70 13 13 ILE N N 116.710 . 1 71 14 14 ARG H H 8.000 . 1 72 14 14 ARG HA H 4.030 . 1 73 14 14 ARG C C 179.200 . 1 74 14 14 ARG CA C 59.310 . 1 75 14 14 ARG CB C 29.850 . 1 76 14 14 ARG N N 119.900 . 1 77 15 15 ARG H H 8.060 . 1 78 15 15 ARG HA H 4.190 . 1 79 15 15 ARG C C 178.190 . 1 80 15 15 ARG CA C 57.920 . 1 81 15 15 ARG CB C 30.110 . 1 82 15 15 ARG N N 119.070 . 1 83 16 16 ALA H H 8.350 . 1 84 16 16 ALA HA H 4.060 . 1 85 16 16 ALA C C 177.710 . 1 86 16 16 ALA CA C 54.410 . 1 87 16 16 ALA CB C 18.670 . 1 88 16 16 ALA N N 121.460 . 1 89 17 17 SER H H 7.810 . 1 90 17 17 SER HA H 4.260 . 1 91 17 17 SER C C 174.550 . 1 92 17 17 SER CA C 60.560 . 1 93 17 17 SER CB C 63.830 . 1 94 17 17 SER N N 109.900 . 1 95 18 18 THR H H 7.580 . 1 96 18 18 THR HA H 4.350 . 1 97 18 18 THR C C 174.620 . 1 98 18 18 THR CA C 61.900 . 1 99 18 18 THR CB C 69.630 . 1 100 18 18 THR N N 110.340 . 1 101 19 19 ILE H H 7.390 . 1 102 19 19 ILE HA H 4.040 . 1 103 19 19 ILE C C 174.800 . 1 104 19 19 ILE CA C 61.690 . 1 105 19 19 ILE CB C 38.910 . 1 106 19 19 ILE N N 122.220 . 1 107 20 20 GLU H H 8.320 . 1 108 20 20 GLU HA H 4.370 . 1 109 20 20 GLU C C 175.610 . 1 110 20 20 GLU CA C 55.590 . 1 111 20 20 GLU CB C 30.590 . 1 112 20 20 GLU N N 125.230 . 1 113 21 21 MET H H 8.570 . 1 114 21 21 MET HA H 4.470 . 1 115 21 21 MET CA C 55.830 . 1 116 21 21 MET CB C 32.370 . 1 117 21 21 MET N N 122.970 . 1 118 22 22 PRO C C 177.260 . 1 119 22 22 PRO CA C 63.100 . 1 120 22 22 PRO CB C 32.660 . 1 121 23 23 GLN H H 8.820 . 1 122 23 23 GLN HA H 4.650 . 1 123 23 23 GLN C C 177.510 . 1 124 23 23 GLN CA C 58.530 . 1 125 23 23 GLN CB C 28.700 . 1 126 23 23 GLN N N 122.360 . 1 127 24 24 GLN H H 8.810 . 1 128 24 24 GLN HA H 4.160 . 1 129 24 24 GLN C C 177.000 . 1 130 24 24 GLN CA C 57.750 . 1 131 24 24 GLN CB C 28.540 . 1 132 24 24 GLN N N 117.850 . 1 133 25 25 ALA H H 7.670 . 1 134 25 25 ALA HA H 4.190 . 1 135 25 25 ALA C C 178.180 . 1 136 25 25 ALA CA C 54.200 . 1 137 25 25 ALA CB C 19.170 . 1 138 25 25 ALA N N 121.410 . 1 139 26 26 ARG H H 8.020 . 1 140 26 26 ARG HA H 4.020 . 1 141 26 26 ARG C C 177.560 . 1 142 26 26 ARG CA C 58.600 . 1 143 26 26 ARG CB C 30.280 . 1 144 26 26 ARG N N 117.280 . 1 145 27 27 GLN H H 8.150 . 1 146 27 27 GLN HA H 4.150 . 1 147 27 27 GLN C C 176.880 . 1 148 27 27 GLN CA C 57.790 . 1 149 27 27 GLN CB C 28.820 . 1 150 27 27 GLN N N 117.680 . 1 151 28 28 ASN H H 7.980 . 1 152 28 28 ASN HA H 4.700 . 1 153 28 28 ASN C C 176.270 . 1 154 28 28 ASN CA C 54.660 . 1 155 28 28 ASN CB C 39.160 . 1 156 28 28 ASN N N 117.370 . 1 157 29 29 LEU H H 8.120 . 1 158 29 29 LEU HA H 4.090 . 1 159 29 29 LEU C C 177.670 . 1 160 29 29 LEU CA C 57.420 . 1 161 29 29 LEU CB C 41.980 . 1 162 29 29 LEU N N 120.890 . 1 163 30 30 GLN H H 8.290 . 1 164 30 30 GLN HA H 3.940 . 1 165 30 30 GLN C C 177.000 . 1 166 30 30 GLN CA C 59.450 . 1 167 30 30 GLN CB C 28.690 . 1 168 30 30 GLN N N 117.840 . 1 169 31 31 ASN H H 8.040 . 1 170 31 31 ASN HA H 4.510 . 1 171 31 31 ASN C C 176.880 . 1 172 31 31 ASN CB C 38.700 . 1 173 31 31 ASN N N 116.700 . 1 174 32 32 LEU H H 8.040 . 1 175 32 32 LEU HA H 4.090 . 1 176 32 32 LEU C C 177.880 . 1 177 32 32 LEU CA C 58.270 . 1 178 32 32 LEU CB C 42.110 . 1 179 32 32 LEU N N 121.280 . 1 180 33 33 PHE H H 8.260 . 1 181 33 33 PHE HA H 4.250 . 1 182 33 33 PHE C C 176.980 . 1 183 33 33 PHE CB C 38.910 . 1 184 33 33 PHE N N 117.360 . 1 185 34 34 ILE H H 8.140 . 1 186 34 34 ILE HA H 3.620 . 1 187 34 34 ILE C C 176.780 . 1 188 34 34 ILE CA C 65.000 . 1 189 34 34 ILE CB C 37.750 . 1 190 34 34 ILE N N 118.190 . 1 191 35 35 ASN H H 7.890 . 1 192 35 35 ASN HA H 4.390 . 1 193 35 35 ASN C C 176.900 . 1 194 35 35 ASN CA C 56.420 . 1 195 35 35 ASN CB C 38.730 . 1 196 35 35 ASN N N 117.210 . 1 197 36 36 PHE H H 8.410 . 1 198 36 36 PHE HA H 4.260 . 1 199 36 36 PHE C C 176.330 . 1 200 36 36 PHE CA C 61.090 . 1 201 36 36 PHE CB C 39.100 . 1 202 36 36 PHE N N 118.090 . 1 203 37 37 ALA H H 8.390 . 1 204 37 37 ALA HA H 3.700 . 1 205 37 37 ALA C C 178.620 . 1 206 37 37 ALA CA C 55.790 . 1 207 37 37 ALA CB C 17.960 . 1 208 37 37 ALA N N 120.810 . 1 209 38 38 LEU H H 8.080 . 1 210 38 38 LEU HA H 3.660 . 1 211 38 38 LEU C C 178.210 . 1 212 38 38 LEU CA C 58.450 . 1 213 38 38 LEU CB C 41.900 . 1 214 38 38 LEU N N 115.470 . 1 215 39 39 ILE H H 7.720 . 1 216 39 39 ILE HA H 3.590 . 1 217 39 39 ILE C C 177.120 . 1 218 39 39 ILE CA C 65.330 . 1 219 39 39 ILE CB C 37.630 . 1 220 39 39 ILE N N 117.650 . 1 221 40 40 LEU H H 8.060 . 1 222 40 40 LEU HA H 3.830 . 1 223 40 40 LEU C C 178.210 . 1 224 40 40 LEU CA C 58.390 . 1 225 40 40 LEU CB C 41.710 . 1 226 40 40 LEU N N 119.070 . 1 227 41 41 ILE H H 8.220 . 1 228 41 41 ILE HA H 3.490 . 1 229 41 41 ILE C C 176.940 . 1 230 41 41 ILE CA C 65.330 . 1 231 41 41 ILE CB C 37.420 . 1 232 41 41 ILE N N 117.330 . 1 233 42 42 PHE H H 8.230 . 1 234 42 42 PHE HA H 4.120 . 1 235 42 42 PHE C C 176.830 . 1 236 42 42 PHE CA C 62.180 . 1 237 42 42 PHE CB C 39.080 . 1 238 42 42 PHE N N 119.410 . 1 239 43 43 LEU H H 8.440 . 1 240 43 43 LEU HA H 3.780 . 1 241 43 43 LEU C C 178.280 . 1 242 43 43 LEU CA C 58.220 . 1 243 43 43 LEU CB C 41.760 . 1 244 43 43 LEU N N 117.370 . 1 245 44 44 LEU H H 8.270 . 1 246 44 44 LEU HA H 3.890 . 1 247 44 44 LEU C C 178.110 . 1 248 44 44 LEU CA C 57.850 . 1 249 44 44 LEU CB C 41.870 . 1 250 44 44 LEU N N 117.960 . 1 251 45 45 LEU H H 8.270 . 1 252 45 45 LEU HA H 3.860 . 1 253 45 45 LEU C C 178.560 . 1 254 45 45 LEU CA C 58.410 . 1 255 45 45 LEU CB C 41.520 . 1 256 45 45 LEU N N 118.580 . 1 257 46 46 ILE H H 8.020 . 1 258 46 46 ILE HA H 3.460 . 1 259 46 46 ILE C C 177.030 . 1 260 46 46 ILE CA C 65.110 . 1 261 46 46 ILE CB C 36.690 . 1 262 46 46 ILE N N 117.280 . 1 263 47 47 ALA H H 8.290 . 1 264 47 47 ALA HA H 3.770 . 1 265 47 47 ALA C C 178.730 . 1 266 47 47 ALA CA C 55.920 . 1 267 47 47 ALA CB C 18.130 . 1 268 47 47 ALA N N 121.040 . 1 269 48 48 ILE H H 8.220 . 1 270 48 48 ILE HA H 3.490 . 1 271 48 48 ILE C C 177.320 . 1 272 48 48 ILE CA C 65.880 . 1 273 48 48 ILE CB C 37.920 . 1 274 48 48 ILE N N 116.280 . 1 275 49 49 ILE H H 8.090 . 1 276 49 49 ILE HA H 3.490 . 1 277 49 49 ILE C C 177.930 . 1 278 49 49 ILE CA C 66.120 . 1 279 49 49 ILE CB C 37.620 . 1 280 49 49 ILE N N 118.560 . 1 281 50 50 VAL H H 8.460 . 1 282 50 50 VAL HA H 3.580 . 1 283 50 50 VAL C C 177.890 . 1 284 50 50 VAL CA C 66.440 . 1 285 50 50 VAL CB C 31.430 . 1 286 50 50 VAL N N 115.890 . 1 287 51 51 MET H H 8.010 . 1 288 51 51 MET HA H 4.250 . 1 289 51 51 MET C C 177.300 . 1 290 51 51 MET CA C 57.530 . 1 291 51 51 MET CB C 33.240 . 1 292 51 51 MET N N 115.630 . 1 293 52 52 LEU H H 7.940 . 1 294 52 52 LEU HA H 4.360 . 1 295 52 52 LEU C C 176.560 . 1 296 52 52 LEU CA C 55.570 . 1 297 52 52 LEU CB C 43.630 . 1 298 52 52 LEU N N 118.350 . 1 299 53 53 LEU H H 7.260 . 1 300 53 53 LEU HA H 4.190 . 1 301 53 53 LEU CA C 54.330 . 1 302 53 53 LEU CB C 42.130 . 1 303 53 53 LEU N N 124.140 . 1 stop_ save_