data_25079 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Assignment of the transmembrane domain of the erythropoietin receptor ; _BMRB_accession_number 25079 _BMRB_flat_file_name bmr25079.str _Entry_type original _Submission_date 2014-07-05 _Accession_date 2014-07-05 _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 'Ying Lei' . . 3 Huang Qiwei . . 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" 131 "13C chemical shifts" 90 "15N chemical shifts" 42 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2014-12-08 original author . stop_ _Original_release_date 2014-12-08 save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full . _Citation_title 'Structural insight into the transmembrane domain and the juxtamembrane region of the erythropoietin receptor in micelles' _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 25418301 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Li Qingxin . . 2 Wong 'Ying Lei' . . 3 Huang Qiwei . . 4 kang congbao . . stop_ _Journal_abbreviation 'Biophys. J.' _Journal_volume 107 _Journal_issue 10 _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 2325 _Page_last 2336 _Year 2014 _Details . loop_ _Keyword 'NMR assignment' 'membrane protein' 'Erythropoietin receptor' stop_ save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name 'human EpoR' _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label 'human Epo' $human_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_human_EpoR _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common human_EpoR _Molecular_mass . _Mol_thiol_state 'all free' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 55 _Mol_residue_sequence ; MSEPVSLLTPSDLDPLILTL SLILVVILVLLTVLALLSHR RALKQKIWPHHHHHH ; loop_ _Residue_seq_code _Residue_author_seq_code _Residue_label 1 1 MET 2 2 SER 3 3 GLU 4 4 PRO 5 5 VAL 6 6 SER 7 7 LEU 8 8 LEU 9 9 THR 10 10 PRO 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 VAL 27 27 ILE 28 28 LEU 29 29 VAL 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 ALA 43 43 LEU 44 44 LYS 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 2015-08-05 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 2MV6 "Solution Structure Of The Transmembrane Domain And The Juxta-membrane Domain Of The Erythropoietin Receptor In Micelles" 89.09 49 100.00 100.00 1.74e-21 DBJ BAG37561 "unnamed protein product [Homo sapiens]" 87.27 508 100.00 100.00 1.12e-06 DBJ BAI45971 "erythropoietin receptor [synthetic construct]" 87.27 508 100.00 100.00 1.12e-06 GB AAA52401 "erythropoietin receptor precursor [Homo sapiens]" 87.27 508 100.00 100.00 1.12e-06 GB AAA52403 "erythropoietin receptor [Homo sapiens]" 87.27 508 100.00 100.00 1.12e-06 GB AAB23271 "erythropoietin receptor [Homo sapiens]" 87.27 508 100.00 100.00 1.12e-06 GB AAI12154 "Erythropoietin receptor [Homo sapiens]" 87.27 508 100.00 100.00 1.12e-06 GB AFM52330 "truncated EPOR [Homo sapiens]" 87.27 442 100.00 100.00 9.20e-07 REF NP_000112 "erythropoietin receptor precursor [Homo sapiens]" 87.27 508 100.00 100.00 1.12e-06 REF XP_001105833 "PREDICTED: erythropoietin receptor [Macaca mulatta]" 87.27 508 97.92 100.00 8.52e-04 REF XP_002828735 "PREDICTED: erythropoietin receptor isoform X1 [Pongo abelii]" 87.27 508 97.92 100.00 7.04e-04 REF XP_003830541 "PREDICTED: erythropoietin receptor [Pan paniscus]" 87.27 508 97.92 100.00 7.04e-04 REF XP_004060086 "PREDICTED: erythropoietin receptor [Gorilla gorilla gorilla]" 87.27 508 97.92 100.00 7.60e-04 SP P19235 "RecName: Full=Erythropoietin receptor; Short=EPO-R; Flags: Precursor" 87.27 508 100.00 100.00 1.12e-06 stop_ save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species $human_EpoR human 9606 Eukaryota Metazoa Homo sapiens 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 $human_EpoR 'recombinant technology' . Escherichia coli BL21DE3 pET29b stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_15N _Saveframe_category sample _Sample_type solution _Details '20 mM sodium phosphate, pH6.5, 200 mM DPC.' loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $human_EpoR 0.5 mM '[U-100% 15N]' 'sodium phosphate' 20 mM 'natural abundance' DPC 200 mM 'natural abundance' H20 90 % 'natural abundance' D20 10 % 'natural abundance' stop_ save_ save_13C-15N _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Concentration_min_value _Concentration_max_value _Isotopic_labeling $human_EpoR . mM 0.2 0.8 '[U-100% 13C; U-100% 15N]' 'sodium phosphate' 20 mM . . 'natural abundance' DPC 200 mM . . 'natural abundance' H20 90 % . . 'natural abundance' D20 10 % . . 'natural abundance' stop_ save_ save_sample_3 _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $human_EpoR 0.5 mM '[U-100% 13C; U-100% 15N; U-80% 2H]' 'sodium phosphate' 20 mM 'natural abundance' DPC 200 mM 'natural abundance' H20 90 % 'natural abundance' D20 10 % 'natural abundance' stop_ save_ ############################ # Computer software used # ############################ 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 'data analysis' stop_ _Details . save_ 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_ save_spectrometer_2 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model Avance _Field_strength 700 _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_3 save_ save_2D_1H-15N_HSQC_2 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-15N HSQC' _Sample_label $15N save_ save_3D_HNCA_3 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCA' _Sample_label $13C-15N save_ save_3D_HNCACB_4 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCACB' _Sample_label $13C-15N save_ save_3D_HBHA(CO)NH_5 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HBHA(CO)NH' _Sample_label $13C-15N save_ save_3D_HCACO_6 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HCACO' _Sample_label $13C-15N save_ save_3D_HNCO_7 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCO' _Sample_label $13C-15N save_ save_3D_1H-15N_NOESY_8 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-15N NOESY' _Sample_label $13C-15N save_ save_3D_1H-15N_NOESY_9 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-15N NOESY' _Sample_label $sample_3 save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Saveframe_category sample_conditions _Details '20 mM sodium phosphate, pH6.5, 200 mM DPC.' loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units temperature 313 . K pH 6.5 . pH pressure 1 . atm 'ionic strength' 20 . mM 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 H 1 'methyl protons' ppm 0 internal direct . . . 1.0 DSS C 13 'methyl protons' ppm 0 internal indirect . . . 0.251449530 DSS N 15 'methyl protons' ppm 0 internal 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 HNCACB' '3D HBHA(CO)NH' '3D HNCO' stop_ loop_ _Sample_label $sample_3 $13C-15N stop_ _Sample_conditions_label $sample_conditions_1 _Chem_shift_reference_set_label $chemical_shift_reference_1 _Mol_system_component_name 'human Epo' _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 SER CB C 63.463 0.200 1 2 4 4 PRO HA H 4.442 0.020 1 3 4 4 PRO HB2 H 1.910 0.020 2 4 4 4 PRO HD3 H 3.799 0.020 2 5 4 4 PRO CA C 63.352 0.200 1 6 4 4 PRO CB C 31.915 0.200 1 7 5 5 VAL H H 8.193 0.020 1 8 5 5 VAL HA H 4.065 0.020 1 9 5 5 VAL HB H 2.083 0.020 1 10 5 5 VAL CA C 62.546 0.200 1 11 5 5 VAL CB C 32.452 0.200 1 12 5 5 VAL N N 119.530 0.100 1 13 6 6 SER H H 8.246 0.020 1 14 6 6 SER HA H 4.474 0.020 1 15 6 6 SER CA C 58.259 0.200 1 16 6 6 SER CB C 64.180 0.200 1 17 6 6 SER N N 118.536 0.100 1 18 7 7 LEU H H 8.428 0.020 1 19 7 7 LEU HA H 4.268 0.020 1 20 7 7 LEU HD1 H 0.933 0.020 2 21 7 7 LEU CA C 55.879 0.200 1 22 7 7 LEU CB C 42.888 0.200 1 23 7 7 LEU N N 124.072 0.100 1 24 8 8 LEU H H 7.911 0.020 1 25 8 8 LEU HA H 4.384 0.020 1 26 8 8 LEU HD1 H 0.913 0.020 2 27 8 8 LEU CA C 54.808 0.200 1 28 8 8 LEU CB C 42.968 0.200 1 29 8 8 LEU N N 118.780 0.100 1 30 9 9 THR H H 8.030 0.020 1 31 9 9 THR CA C 59.552 0.200 1 32 9 9 THR CB C 69.588 0.200 1 33 9 9 THR N N 114.528 0.100 1 34 10 10 PRO HA H 4.369 0.020 1 35 10 10 PRO HB2 H 2.000 0.020 2 36 10 10 PRO HD3 H 3.837 0.020 2 37 10 10 PRO CA C 64.206 0.200 1 38 10 10 PRO CB C 31.927 0.200 1 39 11 11 SER H H 8.217 0.020 1 40 11 11 SER HA H 4.293 0.020 1 41 11 11 SER CA C 59.677 0.200 1 42 11 11 SER CB C 63.851 0.200 1 43 11 11 SER N N 113.430 0.100 1 44 12 12 ASP H H 8.122 0.020 1 45 12 12 ASP HA H 4.626 0.020 1 46 12 12 ASP CA C 54.709 0.200 1 47 12 12 ASP CB C 41.453 0.200 1 48 12 12 ASP N N 120.212 0.100 1 49 13 13 LEU H H 7.719 0.020 1 50 13 13 LEU HA H 4.336 0.020 1 51 13 13 LEU HB3 H 1.471 0.020 2 52 13 13 LEU HD1 H 0.922 0.020 2 53 13 13 LEU CA C 54.588 0.200 1 54 13 13 LEU CB C 43.298 0.200 1 55 13 13 LEU N N 120.144 0.100 1 56 14 14 ASP H H 8.289 0.020 1 57 14 14 ASP CA C 53.538 0.200 1 58 14 14 ASP CB C 43.171 0.200 1 59 14 14 ASP N N 123.659 0.100 1 60 15 15 PRO HA H 4.252 0.020 1 61 15 15 PRO HB2 H 1.941 0.020 2 62 15 15 PRO CA C 65.531 0.200 1 63 15 15 PRO CB C 32.324 0.200 1 64 16 16 LEU H H 8.639 0.020 1 65 16 16 LEU HA H 4.175 0.020 1 66 16 16 LEU HD1 H 0.981 0.020 2 67 16 16 LEU CA C 58.452 0.200 1 68 16 16 LEU CB C 41.335 0.200 1 69 16 16 LEU N N 120.965 0.100 1 70 17 17 ILE H H 7.831 0.020 1 71 17 17 ILE HA H 3.706 0.020 1 72 17 17 ILE HB H 2.104 0.020 1 73 17 17 ILE HD1 H 0.959 0.020 2 74 17 17 ILE CA C 64.333 0.200 1 75 17 17 ILE CB C 36.708 0.200 1 76 17 17 ILE N N 118.865 0.100 1 77 18 18 LEU H H 8.229 0.020 1 78 18 18 LEU HA H 4.003 0.020 1 79 18 18 LEU HD1 H 0.947 0.020 2 80 18 18 LEU CA C 58.669 0.200 1 81 18 18 LEU CB C 41.728 0.200 1 82 18 18 LEU N N 121.654 0.100 1 83 19 19 THR H H 7.951 0.020 1 84 19 19 THR HA H 4.252 0.020 1 85 19 19 THR CA C 68.380 0.200 1 86 19 19 THR CB C 67.094 0.200 1 87 19 19 THR N N 115.361 0.100 1 88 20 20 LEU H H 8.334 0.020 1 89 20 20 LEU HA H 3.962 0.020 1 90 20 20 LEU HB3 H 1.517 0.020 2 91 20 20 LEU HD1 H 0.884 0.020 2 92 20 20 LEU CA C 58.313 0.200 1 93 20 20 LEU CB C 41.808 0.200 1 94 20 20 LEU N N 119.190 0.100 1 95 21 21 SER H H 8.195 0.020 1 96 21 21 SER HA H 4.027 0.020 1 97 21 21 SER CA C 63.605 0.200 1 98 21 21 SER CB C 63.022 0.200 1 99 21 21 SER N N 114.597 0.100 1 100 22 22 LEU H H 7.881 0.020 1 101 22 22 LEU HA H 3.996 0.020 1 102 22 22 LEU HB3 H 1.614 0.020 2 103 22 22 LEU CA C 58.134 0.200 1 104 22 22 LEU CB C 41.602 0.200 1 105 22 22 LEU N N 120.987 0.100 1 106 23 23 ILE H H 7.987 0.020 1 107 23 23 ILE HA H 3.480 0.020 1 108 23 23 ILE HB H 2.017 0.020 1 109 23 23 ILE CA C 65.768 0.200 1 110 23 23 ILE CB C 37.263 0.200 1 111 23 23 ILE N N 118.022 0.100 1 112 24 24 LEU H H 8.174 0.020 1 113 24 24 LEU HA H 3.925 0.020 1 114 24 24 LEU HD1 H 0.852 0.020 2 115 24 24 LEU CA C 58.586 0.200 1 116 24 24 LEU CB C 41.621 0.200 1 117 24 24 LEU N N 118.701 0.100 1 118 25 25 VAL H H 8.118 0.020 1 119 25 25 VAL HA H 4.427 0.020 1 120 25 25 VAL HB H 2.273 0.020 1 121 25 25 VAL CA C 67.708 0.200 1 122 25 25 VAL CB C 31.539 0.200 1 123 25 25 VAL N N 117.708 0.100 1 124 26 26 VAL H H 8.140 0.020 1 125 26 26 VAL HA H 3.373 0.020 1 126 26 26 VAL HB H 2.296 0.020 1 127 26 26 VAL CA C 67.852 0.200 1 128 26 26 VAL CB C 30.970 0.200 1 129 26 26 VAL N N 118.872 0.100 1 130 27 27 ILE H H 8.336 0.020 1 131 27 27 ILE HA H 3.527 0.020 1 132 27 27 ILE HD1 H 0.809 0.020 2 133 27 27 ILE CA C 65.922 0.200 1 134 27 27 ILE CB C 37.327 0.200 1 135 27 27 ILE N N 118.715 0.100 1 136 28 28 LEU H H 8.494 0.020 1 137 28 28 LEU HA H 3.981 0.020 1 138 28 28 LEU HB3 H 1.497 0.020 2 139 28 28 LEU HD1 H 0.799 0.020 2 140 28 28 LEU HD1 H 0.799 0.020 1 141 28 28 LEU CA C 58.626 0.200 1 142 28 28 LEU CB C 41.415 0.200 1 143 28 28 LEU N N 119.343 0.100 1 144 29 29 VAL H H 8.696 0.020 1 145 29 29 VAL HA H 3.464 0.020 1 146 29 29 VAL HB H 2.268 0.020 1 147 29 29 VAL HG2 H 1.014 0.020 2 148 29 29 VAL CA C 67.682 0.200 1 149 29 29 VAL CB C 31.172 0.200 1 150 29 29 VAL N N 121.451 0.100 1 151 30 30 LEU H H 8.534 0.020 1 152 30 30 LEU HA H 3.901 0.020 1 153 30 30 LEU HB3 H 1.531 0.020 2 154 30 30 LEU CA C 58.783 0.200 1 155 30 30 LEU CB C 41.515 0.200 1 156 30 30 LEU N N 119.811 0.100 1 157 31 31 LEU H H 8.770 0.020 1 158 31 31 LEU HA H 3.946 0.020 1 159 31 31 LEU HB3 H 1.459 0.020 2 160 31 31 LEU HD1 H 0.829 0.020 2 161 31 31 LEU CA C 58.443 0.200 1 162 31 31 LEU CB C 41.802 0.200 1 163 31 31 LEU N N 117.365 0.100 1 164 32 32 THR H H 8.016 0.020 1 165 32 32 THR HA H 4.311 0.020 1 166 32 32 THR HB H 3.688 0.020 1 167 32 32 THR HG2 H 1.124 0.020 2 168 32 32 THR CA C 68.534 0.200 1 169 32 32 THR CB C 67.727 0.200 1 170 32 32 THR N N 116.494 0.100 1 171 33 33 VAL H H 8.430 0.020 1 172 33 33 VAL HA H 3.499 0.020 1 173 33 33 VAL HB H 2.300 0.020 1 174 33 33 VAL HG2 H 1.541 0.020 2 175 33 33 VAL CA C 67.605 0.200 1 176 33 33 VAL CB C 31.468 0.200 1 177 33 33 VAL N N 120.644 0.100 1 178 34 34 LEU H H 8.424 0.020 1 179 34 34 LEU HA H 3.994 0.020 1 180 34 34 LEU HB3 H 1.566 0.020 2 181 34 34 LEU HD1 H 0.894 0.020 2 182 34 34 LEU CA C 58.433 0.200 1 183 34 34 LEU CB C 41.543 0.200 1 184 34 34 LEU N N 118.815 0.100 1 185 35 35 ALA H H 8.646 0.020 1 186 35 35 ALA HA H 3.993 0.020 1 187 35 35 ALA CA C 55.704 0.200 1 188 35 35 ALA CB C 18.446 0.200 1 189 35 35 ALA N N 122.308 0.100 1 190 36 36 LEU H H 8.442 0.020 1 191 36 36 LEU HA H 4.058 0.020 1 192 36 36 LEU HB3 H 1.481 0.020 2 193 36 36 LEU HD1 H 0.892 0.020 2 194 36 36 LEU CA C 58.078 0.200 1 195 36 36 LEU CB C 42.030 0.200 1 196 36 36 LEU N N 118.240 0.100 1 197 37 37 LEU H H 8.499 0.020 1 198 37 37 LEU HA H 4.088 0.020 1 199 37 37 LEU HB3 H 1.549 0.020 2 200 37 37 LEU HD1 H 0.933 0.020 2 201 37 37 LEU CA C 57.666 0.200 1 202 37 37 LEU CB C 42.103 0.200 1 203 37 37 LEU N N 117.383 0.100 1 204 38 38 SER H H 8.155 0.020 1 205 38 38 SER HA H 4.235 0.020 1 206 38 38 SER CA C 61.318 0.200 1 207 38 38 SER CB C 63.438 0.200 1 208 38 38 SER N N 113.837 0.100 1 209 39 39 HIS H H 8.017 0.020 1 210 39 39 HIS HA H 4.777 0.020 1 211 39 39 HIS HB3 H 2.993 0.020 1 212 39 39 HIS CA C 57.311 0.200 1 213 39 39 HIS CB C 30.793 0.200 1 214 39 39 HIS N N 119.819 0.100 1 215 40 40 ARG H H 7.785 0.020 1 216 40 40 ARG CA C 58.769 0.200 1 217 40 40 ARG N N 119.165 0.100 1 218 41 41 ARG H H 8.358 0.020 1 219 41 41 ARG HA H 4.116 0.020 1 220 41 41 ARG CA C 58.911 0.200 1 221 41 41 ARG CB C 29.575 0.200 1 222 41 41 ARG N N 119.761 0.100 1 223 42 42 ALA H H 8.098 0.020 1 224 42 42 ALA HA H 4.204 0.020 1 225 42 42 ALA CA C 54.191 0.200 1 226 42 42 ALA CB C 18.529 0.200 1 227 42 42 ALA N N 121.554 0.100 1 228 43 43 LEU H H 7.986 0.020 1 229 43 43 LEU HA H 4.061 0.020 1 230 43 43 LEU HD1 H 0.965 0.020 2 231 43 43 LEU CA C 57.311 0.200 1 232 43 43 LEU CB C 42.485 0.200 1 233 43 43 LEU N N 117.383 0.100 1 234 44 44 LYS H H 8.258 0.020 1 235 44 44 LYS HA H 4.043 0.020 1 236 44 44 LYS CA C 59.902 0.200 1 237 44 44 LYS CB C 32.630 0.200 1 238 44 44 LYS N N 118.908 0.100 1 239 45 45 GLN H H 7.764 0.020 1 240 45 45 GLN HA H 4.122 0.020 1 241 45 45 GLN CA C 57.393 0.200 1 242 45 45 GLN CB C 28.647 0.200 1 243 45 45 GLN N N 115.858 0.100 1 244 46 46 LYS H H 7.620 0.020 1 245 46 46 LYS HA H 4.177 0.020 1 246 46 46 LYS HD3 H 1.900 0.020 2 247 46 46 LYS CA C 57.133 0.200 1 248 46 46 LYS CB C 33.007 0.200 1 249 46 46 LYS N N 117.155 0.100 1 250 47 47 ILE H H 7.570 0.020 1 251 47 47 ILE HA H 3.747 0.020 1 252 47 47 ILE HB H 1.391 0.020 1 253 47 47 ILE HG2 H 0.081 0.020 2 254 47 47 ILE HD1 H 0.650 0.020 2 255 47 47 ILE CA C 62.689 0.200 1 256 47 47 ILE CB C 38.674 0.200 1 257 47 47 ILE N N 116.662 0.100 1 258 48 48 TRP H H 8.001 0.020 1 259 48 48 TRP HA H 4.996 0.020 1 260 48 48 TRP HB3 H 3.400 0.020 2 261 48 48 TRP CA C 55.593 0.200 1 262 48 48 TRP CB C 28.793 0.200 1 263 48 48 TRP N N 118.880 0.100 1 stop_ save_