data_4907 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; NMR Solution Structure of Phospholamban ; _BMRB_accession_number 4907 _BMRB_flat_file_name bmr4907.str _Entry_type original _Submission_date 2000-11-30 _Accession_date 2000-11-30 _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 Lamberth Stefanie . . 2 Schmid Holger . . 3 Muenchbach Martin . . 4 Vorherr Thomas . . 5 Krebs Joachim . . 6 Carafoli Ernesto . . 7 Griesinger Christian . . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 289 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2000-12-22 original author . stop_ _Original_release_date 2000-12-22 save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full . _Citation_title 'NMR Solution Structure of Phospholamban' _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID ? loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Griesinger Christian . . stop_ _Journal_abbreviation 'Helv. Chim. Acta' _Journal_volume 83 _Journal_issue . _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 2141 _Page_last 2152 _Year 2000 _Details . save_ ################################## # Molecular system description # ################################## save_system_PLB _Saveframe_category molecular_system _Mol_system_name 'Phospholamban (C41F)' _Abbreviation_common PLB _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label phospholamban $phospholamban stop_ _System_molecular_weight . _System_physical_state native _System_oligomer_state monomer _System_paramagnetic no _System_thiol_state 'all free' loop_ _Biological_function 'amphipathic intrinsic membrane protein' 'modulator of the calcium pump in sarcoplasmic reticulum' stop_ _Database_query_date . _Details . save_ ######################## # Monomeric polymers # ######################## save_phospholamban _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common Phospholamban _Abbreviation_common 'PLB, PLN' _Molecular_mass . _Mol_thiol_state 'all free' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 52 _Mol_residue_sequence ; MDKVQYLTRSAIRRASTIEM PQQARQNLQNLFINFCLILI FLLLICIIVMLL ; loop_ _Residue_seq_code _Residue_label 1 MET 2 ASP 3 LYS 4 VAL 5 GLN 6 TYR 7 LEU 8 THR 9 ARG 10 SER 11 ALA 12 ILE 13 ARG 14 ARG 15 ALA 16 SER 17 THR 18 ILE 19 GLU 20 MET 21 PRO 22 GLN 23 GLN 24 ALA 25 ARG 26 GLN 27 ASN 28 LEU 29 GLN 30 ASN 31 LEU 32 PHE 33 ILE 34 ASN 35 PHE 36 CYS 37 LEU 38 ILE 39 LEU 40 ILE 41 PHE 42 LEU 43 LEU 44 LEU 45 ILE 46 CYS 47 ILE 48 ILE 49 VAL 50 MET 51 LEU 52 LEU stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date 2014-10-26 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 1FJK "Nmr Solution Structure Of Phospholamban (C41f)" 100.00 52 100.00 100.00 1.78e-26 PDB 1FJP "Nmr Solution Structure Of Phospholamban (C41f)" 100.00 52 100.00 100.00 1.78e-26 EMBL CAA33171 "unnamed protein product [Sus scrofa]" 100.00 52 98.08 98.08 4.26e-25 EMBL CAA68461 "unnamed protein product [Canis lupus familiaris]" 100.00 52 98.08 98.08 4.26e-25 GB AAA30884 "cardiac phospholamban [Canis lupus]" 100.00 52 98.08 98.08 4.26e-25 GB AAC41618 "cardiac phospholamban (EC 2.7..1.37) [Canis sp.]" 100.00 52 98.08 98.08 4.26e-25 GB AAT44582 "phospholamban [Canis lupus familiaris]" 100.00 52 98.08 98.08 4.26e-25 GB AAT48602 "phospholamban [Canis lupus familiaris]" 100.00 52 98.08 98.08 4.26e-25 REF NP_001003332 "cardiac phospholamban [Canis lupus familiaris]" 100.00 52 98.08 98.08 4.26e-25 REF NP_999378 "cardiac phospholamban [Sus scrofa]" 100.00 52 98.08 98.08 4.26e-25 REF XP_004011215 "PREDICTED: cardiac phospholamban [Ovis aries]" 100.00 52 98.08 98.08 4.26e-25 REF XP_005684581 "PREDICTED: cardiac phospholamban [Capra hircus]" 100.00 52 98.08 98.08 4.26e-25 REF XP_005907763 "PREDICTED: cardiac phospholamban [Bos mutus]" 100.00 52 98.08 98.08 4.26e-25 SP P61012 "RecName: Full=Cardiac phospholamban; Short=PLB [Canis lupus familiaris]" 100.00 52 98.08 98.08 4.26e-25 SP P61013 "RecName: Full=Cardiac phospholamban; Short=PLB [Sus scrofa]" 100.00 52 98.08 98.08 4.26e-25 TPG DAA26325 "TPA: phospholamban [Bos taurus]" 100.00 52 98.08 98.08 4.26e-25 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 pig 9823 Eukaryota Metazoa Sus scrofa 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 'chemical synthesis' . . . . . 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 1.0 mM . CDCl3 50 %(v/v) [U-2H] CD3OH 50 %(v/v) . stop_ save_ ############################ # Computer software used # ############################ save_FELIX _Saveframe_category software _Name FELIX _Version 98 _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_NMR_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model DRX _Field_strength 600 _Details . save_ save_NMR_spectrometer_2 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model DRX _Field_strength 800 _Details . save_ ############################# # NMR applied experiments # ############################# save_DQF-COSY_1 _Saveframe_category NMR_applied_experiment _Experiment_name DQF-COSY _Sample_label . save_ save_TOCSY_2 _Saveframe_category NMR_applied_experiment _Experiment_name TOCSY _Sample_label . save_ save_NOESY_3 _Saveframe_category NMR_applied_experiment _Experiment_name NOESY _Sample_label . save_ save_NMR_spec_expt__0_1 _Saveframe_category NMR_applied_experiment _Experiment_name DQF-COSY _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_2 _Saveframe_category NMR_applied_experiment _Experiment_name TOCSY _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_3 _Saveframe_category NMR_applied_experiment _Experiment_name NOESY _BMRB_pulse_sequence_accession_number . _Details . save_ ####################### # Sample conditions # ####################### save_exp_cond _Saveframe_category sample_conditions _Details . loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units pH 7.0 0.2 n/a temperature 300 1 K stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference _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 Methanol H 1 'hydroxyl proton' ppm 4.9 internal direct . . . 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_shift_1 _Saveframe_category assigned_chemical_shifts _Details . loop_ _Sample_label $sample_1 stop_ _Sample_conditions_label $exp_cond _Chem_shift_reference_set_label $chemical_shift_reference _Mol_system_component_name phospholamban _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 MET H H 8.761 0.01 1 2 . 1 MET HA H 4.506 0.01 1 3 . 1 MET HB2 H 2.303 0.01 2 4 . 1 MET HB3 H 2.133 0.01 2 5 . 1 MET HG2 H 2.580 0.01 2 6 . 1 MET HG3 H 2.885 0.01 2 7 . 1 MET HE H 0.000 0.01 1 8 . 2 ASP H H 9.020 0.01 1 9 . 2 ASP HA H 4.768 0.01 1 10 . 2 ASP HB2 H 3.273 0.01 2 11 . 2 ASP HB3 H 3.087 0.01 2 12 . 3 LYS H H 8.100 0.01 1 13 . 3 LYS HA H 4.301 0.01 1 14 . 3 LYS HB2 H 2.246 0.01 2 15 . 3 LYS HB3 H 2.176 0.01 2 16 . 3 LYS HG2 H 1.680 0.01 2 17 . 3 LYS HG3 H 1.817 0.01 2 18 . 3 LYS HD2 H 1.886 0.01 2 19 . 3 LYS HE2 H 3.121 0.01 2 20 . 3 LYS HZ H 7.233 0.01 1 21 . 4 VAL H H 8.080 0.01 1 22 . 4 VAL HA H 3.820 0.01 1 23 . 4 VAL HB H 2.420 0.01 1 24 . 4 VAL HG1 H 1.280 0.01 2 25 . 4 VAL HG2 H 1.160 0.01 2 26 . 5 GLN H H 8.530 0.01 1 27 . 5 GLN HA H 4.200 0.01 1 28 . 5 GLN HB2 H 2.433 0.01 2 29 . 5 GLN HG2 H 2.690 0.01 2 30 . 5 GLN HG3 H 2.560 0.01 2 31 . 5 GLN HE21 H 6.750 0.01 1 32 . 5 GLN HE22 H 7.550 0.01 1 33 . 6 TYR H H 8.276 0.01 1 34 . 6 TYR HA H 4.270 0.01 1 35 . 6 TYR HB2 H 3.310 0.01 2 36 . 6 TYR HD1 H 6.890 0.01 3 37 . 6 TYR HE1 H 7.233 0.01 3 38 . 7 LEU H H 8.660 0.01 1 39 . 7 LEU HA H 4.100 0.01 1 40 . 7 LEU HB2 H 2.120 0.01 2 41 . 7 LEU HB3 H 1.790 0.01 2 42 . 7 LEU HD2 H 1.150 0.01 2 43 . 8 THR H H 8.360 0.01 1 44 . 8 THR HA H 4.020 0.01 1 45 . 8 THR HB H 4.390 0.01 1 46 . 8 THR HG2 H 1.410 0.01 1 47 . 9 ARG H H 8.440 0.01 1 48 . 9 ARG HA H 4.150 0.01 1 49 . 9 ARG HB2 H 2.017 0.01 2 50 . 9 ARG HB3 H 2.164 0.01 2 51 . 9 ARG HG2 H 1.800 0.01 2 52 . 9 ARG HD2 H 3.360 0.01 2 53 . 9 ARG HE H 7.865 0.01 1 54 . 10 SER H H 8.300 0.01 1 55 . 10 SER HA H 4.200 0.01 1 56 . 10 SER HB2 H 3.960 0.01 2 57 . 10 SER HB3 H 4.050 0.01 2 58 . 11 ALA H H 8.310 0.01 1 59 . 11 ALA HA H 4.210 0.01 1 60 . 11 ALA HB H 1.760 0.01 1 61 . 12 ILE H H 8.280 0.01 1 62 . 12 ILE HA H 3.850 0.01 1 63 . 12 ILE HB H 2.120 0.01 1 64 . 12 ILE HG12 H 1.740 0.01 2 65 . 12 ILE HD1 H 1.030 0.01 1 66 . 13 ARG H H 8.660 0.01 1 67 . 13 ARG HA H 4.100 0.01 1 68 . 13 ARG HB2 H 2.130 0.01 2 69 . 13 ARG HG2 H 2.080 0.01 2 70 . 13 ARG HG3 H 1.780 0.01 2 71 . 13 ARG HD2 H 3.290 0.01 2 72 . 13 ARG HD3 H 3.370 0.01 2 73 . 13 ARG HE H 7.810 0.01 1 74 . 14 ARG H H 8.790 0.01 1 75 . 14 ARG HA H 4.160 0.01 1 76 . 14 ARG HB2 H 2.140 0.01 2 77 . 14 ARG HG2 H 1.850 0.01 2 78 . 14 ARG HG3 H 2.050 0.01 2 79 . 14 ARG HD2 H 3.360 0.01 2 80 . 14 ARG HE H 7.606 0.01 1 81 . 15 ALA H H 8.780 0.01 1 82 . 15 ALA HA H 4.230 0.01 1 83 . 15 ALA HB H 1.740 0.01 1 84 . 16 SER H H 8.590 0.01 1 85 . 16 SER HA H 4.360 0.01 1 86 . 16 SER HB2 H 4.160 0.01 2 87 . 16 SER HB3 H 4.260 0.01 2 88 . 17 THR H H 7.880 0.01 1 89 . 17 THR HA H 4.220 0.01 1 90 . 17 THR HB H 4.530 0.01 1 91 . 17 THR HG2 H 1.520 0.01 1 92 . 18 ILE H H 7.620 0.01 1 93 . 18 ILE HA H 4.240 0.01 1 94 . 18 ILE HB H 2.180 0.01 1 95 . 18 ILE HG12 H 1.880 0.01 2 96 . 18 ILE HG2 H 1.174 0.01 1 97 . 18 ILE HD1 H 1.460 0.01 1 98 . 19 GLU H H 8.240 0.01 1 99 . 19 GLU HA H 4.440 0.01 1 100 . 19 GLU HB2 H 2.380 0.01 2 101 . 19 GLU HB3 H 2.310 0.01 2 102 . 19 GLU HG2 H 2.667 0.01 1 103 . 19 GLU HG3 H 2.667 0.01 1 104 . 20 MET H H 8.400 0.01 1 105 . 20 MET HA H 4.580 0.01 1 106 . 20 MET HB2 H 2.560 0.01 2 107 . 20 MET HB3 H 2.340 0.01 2 108 . 20 MET HG2 H 2.790 0.01 2 109 . 20 MET HG3 H 2.970 0.01 2 110 . 21 PRO HA H 4.580 0.01 1 111 . 21 PRO HB2 H 2.490 0.01 2 112 . 21 PRO HB3 H 2.040 0.01 2 113 . 21 PRO HG2 H 2.530 0.01 2 114 . 21 PRO HG3 H 2.174 0.01 2 115 . 21 PRO HD2 H 3.910 0.01 2 116 . 22 GLN H H 7.510 0.01 1 117 . 22 GLN HA H 4.340 0.01 1 118 . 22 GLN HB2 H 2.350 0.01 2 119 . 22 GLN HB3 H 2.410 0.01 2 120 . 22 GLN HG2 H 2.667 0.01 1 121 . 22 GLN HG3 H 2.667 0.01 1 122 . 22 GLN HE21 H 6.860 0.01 1 123 . 22 GLN HE22 H 7.750 0.01 1 124 . 23 GLN H H 8.430 0.01 1 125 . 23 GLN HA H 4.160 0.01 1 126 . 23 GLN HB2 H 2.340 0.01 2 127 . 23 GLN HB3 H 2.430 0.01 2 128 . 23 GLN HG2 H 2.550 0.01 2 129 . 23 GLN HE21 H 6.660 0.01 1 130 . 23 GLN HE22 H 7.460 0.01 1 131 . 24 ALA H H 8.530 0.01 1 132 . 24 ALA HA H 4.300 0.01 1 133 . 24 ALA HB H 1.700 0.01 1 134 . 25 ARG H H 8.120 0.01 1 135 . 25 ARG HA H 4.070 0.01 1 136 . 25 ARG HB2 H 2.176 0.01 2 137 . 25 ARG HB3 H 2.072 0.01 2 138 . 25 ARG HG2 H 1.830 0.01 2 139 . 25 ARG HG3 H 1.930 0.01 2 140 . 25 ARG HD2 H 3.440 0.01 2 141 . 26 GLN H H 8.530 0.01 1 142 . 26 GLN HA H 4.100 0.01 1 143 . 26 GLN HB2 H 2.350 0.01 2 144 . 26 GLN HB3 H 2.290 0.01 2 145 . 26 GLN HG2 H 2.545 0.01 1 146 . 26 GLN HG3 H 2.545 0.01 1 147 . 26 GLN HE21 H 6.830 0.01 1 148 . 26 GLN HE22 H 7.260 0.01 1 149 . 27 ASN H H 8.700 0.01 1 150 . 27 ASN HA H 4.640 0.01 1 151 . 27 ASN HB2 H 3.220 0.01 2 152 . 27 ASN HB3 H 2.880 0.01 2 153 . 27 ASN HD21 H 6.830 0.01 1 154 . 27 ASN HD22 H 7.610 0.01 1 155 . 28 LEU H H 8.250 0.01 1 156 . 28 LEU HA H 4.250 0.01 1 157 . 28 LEU HB2 H 1.880 0.01 2 158 . 28 LEU HB3 H 2.040 0.01 2 159 . 28 LEU HG H 0.000 0.01 1 160 . 28 LEU HD2 H 1.090 0.01 2 161 . 29 GLN H H 8.510 0.01 1 162 . 29 GLN HA H 4.210 0.01 1 163 . 29 GLN HB2 H 2.350 0.01 2 164 . 29 GLN HB3 H 2.450 0.01 2 165 . 29 GLN HG2 H 2.639 0.01 2 166 . 29 GLN HG3 H 2.532 0.01 2 167 . 29 GLN HE21 H 6.760 0.01 1 168 . 29 GLN HE22 H 7.490 0.01 1 169 . 30 ASN H H 8.710 0.01 1 170 . 30 ASN HA H 4.650 0.01 1 171 . 30 ASN HB2 H 3.250 0.01 2 172 . 30 ASN HB3 H 2.950 0.01 2 173 . 30 ASN HD21 H 6.840 0.01 1 174 . 30 ASN HD22 H 7.790 0.01 1 175 . 31 LEU H H 8.480 0.01 1 176 . 31 LEU HA H 4.200 0.01 1 177 . 31 LEU HB2 H 2.200 0.01 2 178 . 31 LEU HB3 H 2.110 0.01 2 179 . 31 LEU HG H 1.930 0.01 1 180 . 31 LEU HD2 H 1.090 0.01 2 181 . 32 PHE H H 8.370 0.01 1 182 . 32 PHE HA H 4.500 0.01 1 183 . 32 PHE HB2 H 3.490 0.01 2 184 . 32 PHE HD1 H 7.400 0.01 3 185 . 33 ILE H H 8.810 0.01 1 186 . 33 ILE HA H 3.780 0.01 1 187 . 33 ILE HB H 2.260 0.01 1 188 . 33 ILE HG12 H 2.140 0.01 2 189 . 33 ILE HG2 H 1.540 0.01 1 190 . 34 ASN H H 8.270 0.01 1 191 . 34 ASN HA H 4.540 0.01 1 192 . 34 ASN HB2 H 3.110 0.01 2 193 . 34 ASN HB3 H 2.840 0.01 2 194 . 34 ASN HD21 H 6.660 0.01 1 195 . 34 ASN HD22 H 7.410 0.01 1 196 . 35 PHE H H 8.670 0.01 1 197 . 35 PHE HA H 4.430 0.01 1 198 . 35 PHE HB2 H 3.450 0.01 2 199 . 35 PHE HD1 H 7.360 0.01 3 200 . 36 CYS H H 8.260 0.01 1 201 . 36 CYS HA H 4.000 0.01 1 202 . 36 CYS HB2 H 3.357 0.01 2 203 . 36 CYS HB3 H 2.763 0.01 2 204 . 37 LEU H H 8.200 0.01 1 205 . 37 LEU HA H 4.140 0.01 1 206 . 37 LEU HB2 H 2.16 0.01 2 207 . 37 LEU HG H 1.850 0.01 1 208 . 37 LEU HD1 H 1.080 0.01 2 209 . 37 LEU HD2 H 1.000 0.01 2 210 . 38 ILE H H 8.110 0.01 1 211 . 38 ILE HA H 3.860 0.01 1 212 . 38 ILE HB H 2.170 0.01 1 213 . 38 ILE HG2 H 1.290 0.01 1 214 . 38 ILE HD1 H 1.030 0.01 1 215 . 39 LEU H H 7.910 0.01 1 216 . 39 LEU HA H 4.110 0.01 1 217 . 39 LEU HB2 H 1.870 0.01 2 218 . 39 LEU HG H 1.720 0.01 1 219 . 39 LEU HD2 H 0.950 0.01 2 220 . 40 ILE H H 8.260 0.01 1 221 . 40 ILE HA H 3.790 0.01 1 222 . 40 ILE HB H 2.210 0.01 1 223 . 40 ILE HG12 H 1.970 0.01 2 224 . 40 ILE HG2 H 1.320 0.01 1 225 . 40 ILE HD1 H 1.000 0.01 1 226 . 41 PHE H H 8.340 0.01 1 227 . 41 PHE HA H 4.400 0.01 1 228 . 41 PHE HB2 H 3.250 0.01 2 229 . 41 PHE HD1 H 7.390 0.01 3 230 . 42 LEU H H 8.600 0.01 1 231 . 42 LEU HA H 4.120 0.01 1 232 . 42 LEU HB2 H 2.150 0.01 2 233 . 42 LEU HG H 1.730 0.01 1 234 . 42 LEU HD2 H 1.070 0.01 2 235 . 43 LEU H H 8.440 0.01 1 236 . 43 LEU HA H 4.050 0.01 1 237 . 43 LEU HB2 H 2.070 0.01 2 238 . 43 LEU HB3 H 1.610 0.01 2 239 . 43 LEU HD2 H 1.110 0.01 2 240 . 44 LEU H H 8.360 0.01 1 241 . 44 LEU HA H 4.150 0.01 1 242 . 44 LEU HB2 H 2.050 0.01 2 243 . 44 LEU HG H 1.860 0.01 1 244 . 44 LEU HD2 H 1.110 0.01 2 245 . 45 ILE H H 8.345 0.01 1 246 . 45 ILE HA H 3.780 0.01 1 247 . 45 ILE HB H 2.210 0.01 1 248 . 45 ILE HG12 H 1.230 0.01 2 249 . 45 ILE HG13 H 1.570 0.01 2 250 . 45 ILE HG2 H 1.070 0.01 1 251 . 45 ILE HD1 H 0.790 0.01 1 252 . 46 CYS H H 8.150 0.01 1 253 . 46 CYS HA H 4.140 0.01 1 254 . 46 CYS HB2 H 3.460 0.01 2 255 . 46 CYS HB3 H 2.940 0.01 2 256 . 47 ILE H H 8.250 0.01 1 257 . 47 ILE HA H 3.780 0.01 1 258 . 47 ILE HB H 2.160 0.01 1 259 . 47 ILE HG12 H 2.330 0.01 2 260 . 47 ILE HG13 H 2.200 0.01 2 261 . 47 ILE HG2 H 1.300 0.01 1 262 . 47 ILE HD1 H 1.240 0.01 1 263 . 48 ILE H H 8.470 0.01 1 264 . 48 ILE HA H 3.840 0.01 1 265 . 48 ILE HB H 2.080 0.01 1 266 . 48 ILE HG12 H 2.010 0.01 2 267 . 48 ILE HG2 H 1.300 0.01 1 268 . 48 ILE HD1 H 1.020 0.01 1 269 . 49 VAL H H 8.320 0.01 1 270 . 49 VAL HA H 3.850 0.01 1 271 . 49 VAL HB H 2.380 0.01 1 272 . 49 VAL HG1 H 1.240 0.01 2 273 . 49 VAL HG2 H 1.140 0.01 2 274 . 50 MET H H 8.020 0.01 1 275 . 50 MET HA H 4.440 0.01 1 276 . 50 MET HB2 H 2.320 0.01 2 277 . 50 MET HB3 H 2.570 0.01 2 278 . 50 MET HG2 H 2.770 0.01 2 279 . 50 MET HG3 H 2.960 0.01 2 280 . 51 LEU H H 7.840 0.01 1 281 . 51 LEU HA H 4.590 0.01 1 282 . 51 LEU HB2 H 2.060 0.01 2 283 . 51 LEU HB3 H 1.770 0.01 2 284 . 51 LEU HD2 H 1.060 0.01 2 285 . 52 LEU H H 8.020 0.01 1 286 . 52 LEU HA H 4.530 0.01 1 287 . 52 LEU HB2 H 2.080 0.01 2 288 . 52 LEU HG H 1.760 0.01 1 289 . 52 LEU HD2 H 1.040 0.01 2 stop_ save_