data_25396 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; assignment of the transmembrane domain of the mouse erythropoietin receptor ; _BMRB_accession_number 25396 _BMRB_flat_file_name bmr25396.str _Entry_type original _Submission_date 2014-12-17 _Accession_date 2014-12-17 _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 Li Qingxin . . 2 Wong Yinglei . . 3 Lee Michelle . . 4 Kang Congbao . . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 183 "13C chemical shifts" 136 "15N chemical shifts" 45 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2015-09-21 original BMRB . stop_ _Original_release_date 2015-09-21 save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full . _Citation_title ; Solution structure of the transmembrane domain of the mouse erythropoietin receptor in detergent micelles ; _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 26316120 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Li Qingxin . . 2 Wong Yinglei . . 3 Lee Michelle Y. . 4 Li Michelle . . 5 kang congbao . . stop_ _Journal_abbreviation 'Sci. Rep.' _Journal_volume 5 _Journal_issue . _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 13586 _Page_last 13586 _Year 2015 _Details . save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name 'mouse EpoR' _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label 'mouse EpoR' $mouse_EpoR 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_mouse_EpoR _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common mouse_EpoR _Molecular_mass . _Mol_thiol_state 'not present' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 55 _Mol_residue_sequence ; MSEPASLLTASDLDPLILTL SLILVLISLLLTVLALLSHR RTLQQKIWPHHHHHH ; loop_ _Residue_seq_code _Residue_author_seq_code _Residue_label 1 1 MET 2 2 SER 3 3 GLU 4 4 PRO 5 5 ALA 6 6 SER 7 7 LEU 8 8 LEU 9 9 THR 10 10 ALA 11 11 SER 12 12 ASP 13 13 LEU 14 14 ASP 15 15 PRO 16 16 LEU 17 17 ILE 18 18 LEU 19 19 THR 20 20 LEU 21 21 SER 22 22 LEU 23 23 ILE 24 24 LEU 25 25 VAL 26 26 LEU 27 27 ILE 28 28 SER 29 29 LEU 30 30 LEU 31 31 LEU 32 32 THR 33 33 VAL 34 34 LEU 35 35 ALA 36 36 LEU 37 37 LEU 38 38 SER 39 39 HIS 40 40 ARG 41 41 ARG 42 42 THR 43 43 LEU 44 44 GLN 45 45 GLN 46 46 LYS 47 47 ILE 48 48 TRP 49 49 PRO 50 50 HIS 51 51 HIS 52 52 HIS 53 53 HIS 54 54 HIS 55 55 HIS stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date 2015-10-14 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 2MXB "Structure Of The Transmembrane Domain Of The Mouse Erythropoietin Receptor" 100.00 55 100.00 100.00 6.41e-26 DBJ BAE23871 "unnamed protein product [Mus musculus]" 87.27 507 100.00 100.00 7.69e-08 EMBL CAA37248 "unnamed protein product [Mus musculus]" 87.27 507 100.00 100.00 7.69e-08 GB AAA37571 "erythropoietin receptor precursor [Mus musculus]" 87.27 507 100.00 100.00 7.69e-08 GB AAB20029 "erythropoietin receptor [Mus sp.]" 87.27 507 100.00 100.00 7.69e-08 GB AAH03953 "Epor protein, partial [Mus musculus]" 87.27 506 100.00 100.00 7.67e-08 GB AAH46282 "Erythropoietin receptor [Mus musculus]" 87.27 507 100.00 100.00 7.69e-08 GB EDL25236 "erythropoietin receptor [Mus musculus]" 87.27 507 100.00 100.00 7.69e-08 REF NP_034279 "erythropoietin receptor precursor [Mus musculus]" 87.27 507 100.00 100.00 7.69e-08 REF XP_006510061 "PREDICTED: erythropoietin receptor isoform X1 [Mus musculus]" 87.27 366 100.00 100.00 5.09e-08 SP P14753 "RecName: Full=Erythropoietin receptor; Short=EPO-R; Flags: Precursor" 87.27 507 100.00 100.00 7.69e-08 stop_ save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species $mouse_EpoR Mouse 10090 Eukaryota Metazoa Mus musculus stop_ save_ ######################### # Experimental source # ######################### save_experimental_source _Saveframe_category experimental_source loop_ _Mol_label _Production_method _Host_organism_name_common _Genus _Species _Strain _Variant _Vector_name $mouse_EpoR 'recombinant technology' . Escherichia coli 'Bl21 DE3' 1 pET29b stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_15N_labeled_sample _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $mouse_EpoR 0.5 mM '[U-100% 15N]' 'sodium phosphate' 20 mM 'natural abundance' DPC 150 mM 'natural abundance' H2O 90 % 'natural abundance' D2O 10 % U-2H stop_ save_ save_13C-15N _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $mouse_EpoR 0.8 mM '[U-100% 13C; U-100% 15N]' 'sodium phosphate' 20 mM 'natural abundance' DPC 240 mM '[U-100% 2H]' H2O 90 % 'natural abundance' D2O 10 % U-2H stop_ save_ ############################ # Computer software used # ############################ save_TOPSPIN _Saveframe_category software _Name TOPSPIN _Version . loop_ _Vendor _Address _Electronic_address 'Bruker Biospin' . . stop_ loop_ _Task collection 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_ save_NMRView _Saveframe_category software _Name NMRView _Version . loop_ _Vendor _Address _Electronic_address 'Johnson, One Moon Scientific' . . stop_ loop_ _Task 'chemical shift assignment' stop_ _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model Avance _Field_strength 700 _Details . save_ save_spectrometer_2 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model DMX _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 $15N_labeled_sample save_ save_2D_1H-15N_HSQC_2 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-15N HSQC' _Sample_label $15N_labeled_sample save_ save_3D_HNCACB_3 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCACB' _Sample_label $13C-15N save_ save_3D_HNCA_4 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCA' _Sample_label $13C-15N save_ save_3D_HNCO_5 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCO' _Sample_label $13C-15N save_ save_3D_HBHA(CO)NH_6 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HBHA(CO)NH' _Sample_label $13C-15N save_ save_3D_1H-15N_NOESY_7 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-15N NOESY' _Sample_label $13C-15N save_ save_3D_HN(CO)CA_8 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HN(CO)CA' _Sample_label $13C-15N 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' 20 . mM pH 6.5 . pH pressure 1 . atm temperature 313 . 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 na indirect . . . 0.251449530 DSS H 1 'methyl protons' ppm 0 internal direct . . . 1 DSS N 15 'methyl protons' ppm 0 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 HNCACB' '3D HNCA' '3D HBHA(CO)NH' '3D 1H-15N NOESY' stop_ loop_ _Sample_label $15N_labeled_sample $13C-15N stop_ _Sample_conditions_label $sample_conditions_1 _Chem_shift_reference_set_label $chemical_shift_reference_1 _Mol_system_component_name 'mouse EpoR' _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 MET HA H 4.541 0.02 1 2 1 1 MET HB3 H 2.100 0.02 2 3 1 1 MET C C 175.544 0.2 1 4 1 1 MET CA C 54.464 0.2 1 5 1 1 MET CB C 33.515 0.2 1 6 1 1 MET N N 127.845 0.2 1 7 2 2 SER H H 8.309 0.02 1 8 2 2 SER HA H 4.456 0.02 1 9 2 2 SER HB3 H 3.891 0.02 2 10 2 2 SER C C 174.047 0.2 1 11 2 2 SER CA C 58.960 0.2 1 12 2 2 SER CB C 63.845 0.2 1 13 2 2 SER N N 115.793 0.2 1 14 3 3 GLU H H 8.247 0.02 1 15 3 3 GLU C C 174.776 0.2 1 16 3 3 GLU CA C 55.129 0.2 1 17 3 3 GLU CB C 29.384 0.2 1 18 3 3 GLU N N 121.819 0.2 1 19 4 4 PRO HA H 4.764 0.02 1 20 4 4 PRO HB2 H 2.318 0.02 2 21 4 4 PRO C C 175.990 0.2 1 22 4 4 PRO CA C 62.755 0.2 1 23 4 4 PRO CB C 33.895 0.2 1 24 5 5 ALA H H 8.581 0.02 1 25 5 5 ALA HA H 4.229 0.02 1 26 5 5 ALA HB H 1.456 0.02 1 27 5 5 ALA C C 178.413 0.2 1 28 5 5 ALA CA C 53.840 0.2 1 29 5 5 ALA CB C 19.178 0.2 1 30 5 5 ALA N N 126.162 0.2 1 31 6 6 SER H H 8.054 0.02 1 32 6 6 SER HA H 4.428 0.02 1 33 6 6 SER HB3 H 3.939 0.02 2 34 6 6 SER C C 175.303 0.2 1 35 6 6 SER CA C 59.336 0.2 1 36 6 6 SER CB C 63.817 0.2 1 37 6 6 SER N N 113.840 0.2 1 38 7 7 LEU H H 8.226 0.02 1 39 7 7 LEU HA H 4.258 0.02 1 40 7 7 LEU HB3 H 1.727 0.02 2 41 7 7 LEU HG H 1.552 0.02 1 42 7 7 LEU HD2 H 0.903 0.02 2 43 7 7 LEU HD2 H 0.903 0.02 1 44 7 7 LEU C C 177.265 0.2 1 45 7 7 LEU CA C 56.819 0.2 1 46 7 7 LEU CB C 42.558 0.2 1 47 7 7 LEU N N 123.095 0.2 1 48 8 8 LEU H H 7.797 0.02 1 49 8 8 LEU HA H 4.334 0.02 1 50 8 8 LEU HB3 H 1.728 0.02 2 51 8 8 LEU HG H 1.600 0.02 1 52 8 8 LEU HD1 H 1.234 0.02 2 53 8 8 LEU HD2 H 0.884 0.02 2 54 8 8 LEU HD2 H 0.884 0.02 1 55 8 8 LEU C C 177.034 0.2 1 56 8 8 LEU CA C 55.844 0.2 1 57 8 8 LEU CB C 42.401 0.2 1 58 8 8 LEU N N 116.642 0.2 1 59 9 9 THR H H 7.818 0.02 1 60 9 9 THR HA H 4.399 0.02 1 61 9 9 THR HG2 H 1.190 0.02 1 62 9 9 THR C C 174.813 0.2 1 63 9 9 THR CA C 62.070 0.2 1 64 9 9 THR CB C 69.748 0.2 1 65 9 9 THR N N 110.680 0.2 1 66 10 10 ALA H H 8.068 0.02 1 67 10 10 ALA HA H 4.350 0.02 1 68 10 10 ALA HB H 1.490 0.02 1 69 10 10 ALA C C 177.501 0.2 1 70 10 10 ALA CA C 53.164 0.2 1 71 10 10 ALA CB C 19.120 0.2 1 72 10 10 ALA N N 124.452 0.2 1 73 11 11 SER H H 7.957 0.02 1 74 11 11 SER HA H 4.380 0.02 1 75 11 11 SER HB3 H 3.917 0.02 2 76 11 11 SER C C 174.050 0.2 1 77 11 11 SER CA C 59.245 0.2 1 78 11 11 SER CB C 64.276 0.2 1 79 11 11 SER N N 112.823 0.2 1 80 12 12 ASP H H 8.195 0.02 1 81 12 12 ASP HA H 4.664 0.02 1 82 12 12 ASP HB2 H 2.720 0.02 2 83 12 12 ASP HB3 H 2.590 0.02 2 84 12 12 ASP C C 175.636 0.2 1 85 12 12 ASP CA C 54.518 0.2 1 86 12 12 ASP CB C 41.089 0.2 1 87 12 12 ASP N N 120.402 0.2 1 88 13 13 LEU H H 7.788 0.02 1 89 13 13 LEU HA H 3.903 0.02 1 90 13 13 LEU HG H 1.644 0.02 1 91 13 13 LEU HD2 H 0.877 0.02 2 92 13 13 LEU HD2 H 0.877 0.02 1 93 13 13 LEU C C 176.093 0.2 1 94 13 13 LEU CA C 54.560 0.2 1 95 13 13 LEU CB C 43.460 0.2 1 96 13 13 LEU N N 120.231 0.2 1 97 14 14 ASP H H 8.275 0.02 1 98 14 14 ASP HA H 4.300 0.02 1 99 14 14 ASP HB2 H 2.760 0.02 2 100 14 14 ASP HB3 H 2.610 0.02 2 101 14 14 ASP CA C 53.385 0.2 1 102 14 14 ASP CB C 42.933 0.2 1 103 14 14 ASP N N 123.266 0.2 1 104 16 16 LEU HA H 4.177 0.02 1 105 16 16 LEU HB3 H 1.841 0.02 2 106 16 16 LEU C C 178.250 0.2 1 107 16 16 LEU CA C 58.378 0.2 1 108 16 16 LEU CB C 41.141 0.2 1 109 17 17 ILE H H 7.834 0.02 1 110 17 17 ILE HA H 3.669 0.02 1 111 17 17 ILE HG2 H 0.903 0.02 1 112 17 17 ILE HD1 H 1.288 0.02 4 113 17 17 ILE C C 179.233 0.2 1 114 17 17 ILE CA C 64.294 0.2 1 115 17 17 ILE CB C 36.692 0.2 1 116 17 17 ILE N N 118.944 0.2 1 117 18 18 LEU H H 8.259 0.02 1 118 18 18 LEU HA H 4.056 0.02 1 119 18 18 LEU HB3 H 1.713 0.02 2 120 18 18 LEU HG H 1.667 0.02 1 121 18 18 LEU HD1 H 1.287 0.02 2 122 18 18 LEU HD2 H 0.903 0.02 2 123 18 18 LEU HD2 H 0.903 0.02 1 124 18 18 LEU C C 177.734 0.2 1 125 18 18 LEU CA C 58.886 0.2 1 126 18 18 LEU CB C 41.850 0.2 1 127 18 18 LEU N N 121.989 0.2 1 128 19 19 THR H H 7.972 0.02 1 129 19 19 THR HA H 4.331 0.02 1 130 19 19 THR HG2 H 1.672 0.02 1 131 19 19 THR CA C 68.378 0.2 1 132 19 19 THR N N 115.308 0.2 1 133 20 20 LEU H H 8.315 0.02 1 134 20 20 LEU HA H 3.981 0.02 1 135 20 20 LEU HB2 H 1.599 0.02 2 136 20 20 LEU HB3 H 2.029 0.02 2 137 20 20 LEU HD2 H 0.811 0.02 2 138 20 20 LEU C C 178.238 0.2 1 139 20 20 LEU CA C 58.550 0.2 1 140 20 20 LEU CB C 41.844 0.2 1 141 20 20 LEU N N 119.402 0.2 1 142 21 21 SER H H 8.208 0.02 1 143 21 21 SER HA H 4.180 0.02 1 144 21 21 SER C C 175.117 0.2 1 145 21 21 SER CA C 63.721 0.2 1 146 21 21 SER CB C 63.004 0.2 1 147 21 21 SER N N 114.702 0.2 1 148 22 22 LEU H H 7.942 0.02 1 149 22 22 LEU HA H 4.039 0.02 1 150 22 22 LEU HB3 H 1.785 0.02 2 151 22 22 LEU HD2 H 0.824 0.02 2 152 22 22 LEU C C 178.509 0.2 1 153 22 22 LEU CA C 58.110 0.2 1 154 22 22 LEU CB C 41.754 0.2 1 155 22 22 LEU N N 121.089 0.2 1 156 23 23 ILE H H 8.062 0.02 1 157 23 23 ILE HA H 3.623 0.02 1 158 23 23 ILE HB H 2.099 0.02 1 159 23 23 ILE HG2 H 0.824 0.02 1 160 23 23 ILE HD1 H 1.020 0.02 4 161 23 23 ILE C C 177.232 0.2 1 162 23 23 ILE CA C 65.729 0.2 1 163 23 23 ILE CB C 37.232 0.2 1 164 23 23 ILE N N 118.365 0.2 1 165 24 24 LEU H H 8.265 0.02 1 166 24 24 LEU HA H 4.030 0.02 1 167 24 24 LEU HB2 H 1.618 0.02 2 168 24 24 LEU HB3 H 1.963 0.02 2 169 24 24 LEU HD2 H 0.797 0.02 2 170 24 24 LEU C C 179.936 0.2 1 171 24 24 LEU CA C 58.475 0.2 1 172 24 24 LEU CB C 41.729 0.2 1 173 24 24 LEU N N 119.242 0.2 1 174 25 25 VAL H H 8.339 0.02 1 175 25 25 VAL HA H 3.550 0.02 1 176 25 25 VAL HB H 2.227 0.02 1 177 25 25 VAL HG1 H 0.797 0.02 2 178 25 25 VAL HG2 H 0.983 0.02 2 179 25 25 VAL C C 177.182 0.2 1 180 25 25 VAL CA C 67.383 0.2 1 181 25 25 VAL CB C 31.383 0.2 1 182 25 25 VAL N N 121.096 0.2 1 183 26 26 LEU H H 8.362 0.02 1 184 26 26 LEU HA H 4.007 0.02 1 185 26 26 LEU HB2 H 1.658 0.02 2 186 26 26 LEU HB3 H 1.860 0.02 2 187 26 26 LEU HG H 1.600 0.02 1 188 26 26 LEU HD1 H 0.996 0.02 2 189 26 26 LEU HD2 H 0.771 0.02 2 190 26 26 LEU HD2 H 0.771 0.02 1 191 26 26 LEU C C 178.701 0.2 1 192 26 26 LEU CA C 58.776 0.2 1 193 26 26 LEU CB C 41.812 0.2 1 194 26 26 LEU N N 120.012 0.2 1 195 27 27 ILE H H 8.693 0.02 1 196 27 27 ILE HA H 3.649 0.02 1 197 27 27 ILE HB H 1.988 0.02 1 198 27 27 ILE HG2 H 0.824 0.02 1 199 27 27 ILE HD1 H 1.075 0.02 4 200 27 27 ILE C C 177.465 0.2 1 201 27 27 ILE CA C 65.447 0.2 1 202 27 27 ILE CB C 37.525 0.2 1 203 27 27 ILE N N 117.280 0.2 1 204 28 28 SER H H 8.174 0.02 1 205 28 28 SER HA H 4.005 0.02 1 206 28 28 SER C C 177.161 0.2 1 207 28 28 SER CA C 63.852 0.2 1 208 28 28 SER CB C 62.718 0.2 1 209 28 28 SER N N 116.717 0.2 1 210 29 29 LEU H H 8.459 0.02 1 211 29 29 LEU HA H 4.082 0.02 1 212 29 29 LEU HB3 H 1.713 0.02 2 213 29 29 LEU C C 178.046 0.2 1 214 29 29 LEU CA C 58.283 0.2 1 215 29 29 LEU CB C 41.849 0.2 1 216 29 29 LEU N N 124.297 0.2 1 217 30 30 LEU H H 8.311 0.02 1 218 30 30 LEU HA H 3.968 0.02 1 219 30 30 LEU HB3 H 1.752 0.02 2 220 30 30 LEU HD1 H 1.120 0.02 2 221 30 30 LEU C C 178.567 0.2 1 222 30 30 LEU CA C 58.500 0.2 1 223 30 30 LEU CB C 41.750 0.2 1 224 30 30 LEU N N 119.387 0.2 1 225 31 31 LEU H H 8.594 0.02 1 226 31 31 LEU HA H 4.003 0.02 1 227 31 31 LEU HB2 H 1.483 0.02 2 228 31 31 LEU HB3 H 1.926 0.02 2 229 31 31 LEU HG H 1.433 0.02 1 230 31 31 LEU HD1 H 1.062 0.02 2 231 31 31 LEU HD2 H 0.811 0.02 2 232 31 31 LEU HD2 H 0.811 0.02 1 233 31 31 LEU C C 178.330 0.2 1 234 31 31 LEU CA C 58.341 0.2 1 235 31 31 LEU CB C 41.711 0.2 1 236 31 31 LEU N N 117.058 0.2 1 237 32 32 THR H H 7.875 0.02 1 238 32 32 THR HA H 4.370 0.02 1 239 32 32 THR C C 176.260 0.2 1 240 32 32 THR CA C 68.551 0.2 1 241 32 32 THR CB C 67.715 0.2 1 242 32 32 THR N N 116.127 0.2 1 243 33 33 VAL H H 8.264 0.02 1 244 33 33 VAL HA H 3.572 0.02 1 245 33 33 VAL HB H 2.356 0.02 1 246 33 33 VAL HG1 H 0.800 0.02 2 247 33 33 VAL HG2 H 0.889 0.02 2 248 33 33 VAL C C 177.495 0.2 1 249 33 33 VAL CA C 67.601 0.2 1 250 33 33 VAL CB C 31.378 0.2 1 251 33 33 VAL N N 120.379 0.2 1 252 34 34 LEU H H 8.331 0.02 1 253 34 34 LEU HA H 4.084 0.02 1 254 34 34 LEU HB2 H 1.608 0.02 2 255 34 34 LEU HB3 H 1.988 0.02 2 256 34 34 LEU HD1 H 1.009 0.02 2 257 34 34 LEU HD2 H 0.868 0.02 2 258 34 34 LEU C C 179.313 0.2 1 259 34 34 LEU CA C 58.416 0.2 1 260 34 34 LEU CB C 41.778 0.2 1 261 34 34 LEU N N 118.525 0.2 1 262 35 35 ALA H H 8.586 0.02 1 263 35 35 ALA HA H 4.081 0.02 1 264 35 35 ALA HB H 1.609 0.02 1 265 35 35 ALA C C 179.791 0.2 1 266 35 35 ALA CA C 55.567 0.2 1 267 35 35 ALA CB C 18.466 0.2 1 268 35 35 ALA N N 122.077 0.2 1 269 36 36 LEU H H 8.382 0.02 1 270 36 36 LEU HA H 4.148 0.02 1 271 36 36 LEU HB2 H 1.766 0.02 2 272 36 36 LEU HB3 H 1.933 0.02 2 273 36 36 LEU HD2 H 0.853 0.02 2 274 36 36 LEU C C 178.875 0.2 1 275 36 36 LEU CA C 58.079 0.2 1 276 36 36 LEU CB C 42.311 0.2 1 277 36 36 LEU N N 118.274 0.2 1 278 37 37 LEU H H 8.431 0.02 1 279 37 37 LEU HA H 4.302 0.02 1 280 37 37 LEU HG H 1.530 0.02 1 281 37 37 LEU HD1 H 1.270 0.02 2 282 37 37 LEU HD2 H 0.869 0.02 2 283 37 37 LEU HD2 H 0.869 0.02 1 284 37 37 LEU C C 179.364 0.2 1 285 37 37 LEU CA C 57.510 0.2 1 286 37 37 LEU CB C 42.141 0.2 1 287 37 37 LEU N N 117.223 0.2 1 288 38 38 SER H H 8.108 0.02 1 289 38 38 SER HA H 4.328 0.02 1 290 38 38 SER HB3 H 3.905 0.02 2 291 38 38 SER C C 175.318 0.2 1 292 38 38 SER CA C 61.127 0.2 1 293 38 38 SER CB C 63.806 0.2 1 294 38 38 SER N N 113.554 0.2 1 295 39 39 HIS H H 7.973 0.02 1 296 39 39 HIS HA H 4.097 0.02 1 297 39 39 HIS CA C 57.060 0.2 1 298 39 39 HIS CB C 30.423 0.2 1 299 39 39 HIS N N 119.173 0.2 1 300 40 40 ARG H H 7.794 0.02 1 301 40 40 ARG HA H 4.302 0.02 1 302 40 40 ARG HG3 H 1.988 0.02 2 303 40 40 ARG CA C 58.822 0.2 1 304 40 40 ARG CB C 29.820 0.2 1 305 40 40 ARG N N 119.999 0.2 1 306 41 41 ARG HA H 4.221 0.02 1 307 41 41 ARG HB3 H 2.034 0.02 2 308 41 41 ARG C C 178.048 0.2 1 309 41 41 ARG CA C 58.858 0.2 1 310 41 41 ARG CB C 29.793 0.2 1 311 42 42 THR H H 7.828 0.02 1 312 42 42 THR HA H 4.079 0.02 1 313 42 42 THR C C 176.282 0.2 1 314 42 42 THR CA C 64.984 0.2 1 315 42 42 THR CB C 68.873 0.2 1 316 42 42 THR N N 114.289 0.2 1 317 43 43 LEU H H 7.940 0.02 1 318 43 43 LEU HA H 4.110 0.02 1 319 43 43 LEU HB3 H 1.624 0.02 2 320 43 43 LEU HD2 H 0.870 0.02 2 321 43 43 LEU C C 178.245 0.2 1 322 43 43 LEU CA C 57.554 0.2 1 323 43 43 LEU CB C 42.200 0.2 1 324 43 43 LEU N N 120.680 0.2 1 325 44 44 GLN H H 8.475 0.02 1 326 44 44 GLN HA H 4.091 0.02 1 327 44 44 GLN HB3 H 2.331 0.02 2 328 44 44 GLN C C 177.248 0.2 1 329 44 44 GLN CA C 59.473 0.2 1 330 44 44 GLN CB C 28.743 0.2 1 331 44 44 GLN N N 118.111 0.2 1 332 45 45 GLN H H 7.760 0.02 1 333 45 45 GLN HA H 4.185 0.02 1 334 45 45 GLN HB3 H 2.166 0.02 2 335 45 45 GLN C C 176.580 0.2 1 336 45 45 GLN CA C 57.428 0.2 1 337 45 45 GLN CB C 28.751 0.2 1 338 45 45 GLN N N 116.055 0.2 1 339 46 46 LYS H H 7.619 0.02 1 340 46 46 LYS HA H 4.254 0.02 1 341 46 46 LYS HB3 H 1.905 0.02 2 342 46 46 LYS C C 176.674 0.2 1 343 46 46 LYS CA C 57.006 0.2 1 344 46 46 LYS CB C 32.819 0.2 1 345 46 46 LYS N N 116.804 0.2 1 346 47 47 ILE H H 7.578 0.02 1 347 47 47 ILE HA H 3.818 0.02 1 348 47 47 ILE HB H 1.405 0.02 1 349 47 47 ILE HG2 H 0.017 0.02 1 350 47 47 ILE HD1 H 0.580 0.02 4 351 47 47 ILE C C 174.706 0.2 1 352 47 47 ILE CA C 62.623 0.2 1 353 47 47 ILE CB C 38.668 0.2 1 354 47 47 ILE N N 116.588 0.2 1 355 48 48 TRP H H 7.935 0.02 1 356 48 48 TRP HA H 5.032 0.02 1 357 48 48 TRP HB2 H 3.230 0.02 2 358 48 48 TRP HB3 H 3.450 0.02 2 359 48 48 TRP HE1 H 10.634 0.02 1 360 48 48 TRP C C 173.578 0.2 1 361 48 48 TRP CA C 55.660 0.2 1 362 48 48 TRP CB C 28.779 0.2 1 363 48 48 TRP N N 118.822 0.2 1 364 48 48 TRP NE1 N 130.835 0.2 1 stop_ loop_ _Atom_shift_assign_ID_ambiguity 112 160 199 350 stop_ save_