data_19651 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; CD79b cytosolic domain denatured ; _BMRB_accession_number 19651 _BMRB_flat_file_name bmr19651.str _Entry_type original _Submission_date 2013-12-03 _Accession_date 2013-12-03 _Entry_origination author _NMR_STAR_version 2.1.1 _Experimental_method NMR _Details 'Cytosolic domain of CD79b denatured' loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Rosenlow Joakim . . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 48 "13C chemical shifts" 139 "15N chemical shifts" 48 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2014-02-11 original author . stop_ loop_ _Related_BMRB_accession_number _Relationship 19644 'CD79a cytosolic domain (native)' 19645 'CD79b cytosolic domain denatured' 19648 'CD79b cytosolic domain phosphorylated' 19649 'CD79a cytosolic domain phosphorylated (denatured)' 19650 'CD79b cytosolic domain' 19655 'CCD79b cytosolic domain phosphorylated (on the two ITAM tyrosines Tyr196 and Tyr207)' 19656 'CD79b cytosolic domain phosphorylated (on the two ITAM tyrosines Tyr196 and Tyr207, denatured state)' stop_ _Original_release_date 2014-02-11 save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full . _Citation_title 'Highly efficient NMR assignment of intrinsically disordered proteins: application to B- and T cell receptor domains.' _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 23667548 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Isaksson Linnea . . 2 Mayzel Maxim . . 3 Saline Maria . . 4 Pedersen Anders . . 5 Rosenlow Joakim . . 6 Brutscher Bernhard . . 7 Karlsson 'B. Goran' . . 8 Orekhov Vladislav Y. . stop_ _Journal_abbreviation 'PLoS ONE' _Journal_name_full 'PloS one' _Journal_volume 8 _Journal_issue 5 _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first e62947 _Page_last e62947 _Year 2013 _Details . loop_ _Keyword IDP stop_ save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name 'CD79b cytosolic domain denatured' _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label CD79b_cyt $CD79b_cyt stop_ _System_molecular_weight . _System_physical_state denatured _System_oligomer_state ? _System_paramagnetic no _System_thiol_state . _Database_query_date . _Details 'Cytosolic domain of CD79b denatured' save_ ######################## # Monomeric polymers # ######################## save_CD79b_cyt _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common CD79b_cyt _Molecular_mass . _Mol_thiol_state 'not present' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 51 _Mol_residue_sequence ; SLLDKDDSKAGMEEDHTYEG LDIDQTATYEDIVTLRTGEV KWSVGEHPGQE ; loop_ _Residue_seq_code _Residue_author_seq_code _Residue_label 1 1 SER 2 2 LEU 3 3 LEU 4 4 ASP 5 5 LYS 6 6 ASP 7 7 ASP 8 8 SER 9 9 LYS 10 10 ALA 11 11 GLY 12 12 MET 13 13 GLU 14 14 GLU 15 15 ASP 16 16 HIS 17 17 THR 18 18 TYR 19 19 GLU 20 20 GLY 21 21 LEU 22 22 ASP 23 23 ILE 24 24 ASP 25 25 GLN 26 26 THR 27 27 ALA 28 28 THR 29 29 TYR 30 30 GLU 31 31 ASP 32 32 ILE 33 33 VAL 34 34 THR 35 35 LEU 36 36 ARG 37 37 THR 38 38 GLY 39 39 GLU 40 40 VAL 41 41 LYS 42 42 TRP 43 43 SER 44 44 VAL 45 45 GLY 46 46 GLU 47 47 HIS 48 48 PRO 49 49 GLY 50 50 GLN 51 51 GLU stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date 2015-11-25 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 18884 CD79b 100.00 51 100.00 100.00 4.03e-27 BMRB 19650 CD79b_cyt 100.00 51 100.00 100.00 4.03e-27 DBJ BAA25652 "B29/Ig-beta/CD79b [Rattus norvegicus]" 98.04 228 98.00 100.00 2.95e-25 DBJ BAD96674 "CD79B antigen isoform 1 precursor variant [Homo sapiens]" 98.04 230 100.00 100.00 2.09e-26 DBJ BAD96930 "CD79B antigen isoform 1 precursor variant [Homo sapiens]" 98.04 230 100.00 100.00 2.09e-26 DBJ BAG36353 "unnamed protein product [Homo sapiens]" 98.04 229 98.00 98.00 2.23e-25 EMBL CAA58522 "Ig-beta, variant [Homo sapiens]" 98.04 125 100.00 100.00 6.30e-27 GB AAA58387 "extracellular domain [Homo sapiens]" 98.04 229 100.00 100.00 1.90e-26 GB AAA64459 "cell surface glycoprotein [Homo sapiens]" 98.04 229 100.00 100.00 2.30e-26 GB AAA72424 "unnamed protein product [Homo sapiens]" 98.04 229 100.00 100.00 2.30e-26 GB AAB24822 "membrane immunoglobulin beta chain [Homo sapiens]" 98.04 229 100.00 100.00 1.14e-26 GB AAC60654 "CD79b, partial [Homo sapiens]" 98.04 125 100.00 100.00 6.30e-27 REF NP_000617 "B-cell antigen receptor complex-associated protein beta chain isoform 1 precursor [Homo sapiens]" 98.04 229 100.00 100.00 2.30e-26 REF NP_001035022 "B-cell antigen receptor complex-associated protein beta chain isoform 3 precursor [Homo sapiens]" 98.04 230 100.00 100.00 2.09e-26 REF NP_001230841 "B-cell antigen receptor complex-associated protein beta chain precursor [Sus scrofa]" 96.08 228 97.96 97.96 2.28e-24 REF NP_001248454 "B-cell antigen receptor complex-associated protein beta chain precursor [Macaca mulatta]" 98.04 231 100.00 100.00 5.15e-26 REF NP_067613 "B-cell antigen receptor complex-associated protein beta chain isoform 2 precursor [Homo sapiens]" 98.04 125 100.00 100.00 6.30e-27 SP P40259 "RecName: Full=B-cell antigen receptor complex-associated protein beta chain; AltName: Full=B-cell-specific glycoprotein B29; Al" 98.04 229 100.00 100.00 2.30e-26 TPG DAA18410 "TPA: CD79B antigen-like [Bos taurus]" 98.04 229 100.00 100.00 1.61e-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 _Gene_mnemonic _Details $CD79b_cyt human 9606 Eukaryota Metazoa Homo sapiens CD79B ; cytosolic domain. Uniprot ID P40259 ; 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 $CD79b_cyt 'cell free synthesis' . E. "coli - cell free" . pEXP5-NT 'E. coli S12 extract' stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_CD79b_cytosolic_domain_denatured _Saveframe_category sample _Sample_type solution _Details '20mM Sodium phosphate, 150mM sodium chloride, 2mM DTT, 1x Complete protease inhibitor cocktail (Roche), 0.02% sodium azide, 100uM Trimethylsilyl propanoic acid (TSP), 6M urea' loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $CD79b_cyt 200-300 uM '[U-99% 13C; U-99% 15N]' DTT 2 mM 'natural abundance' 'sodium phosphate' 20 mM 'natural abundance' 'sodium azide' 0.02 % 'natural abundance' 'Complete EDTA-free' 1 X 'natural abundance' TSP 100 uM 'natural abundance' 'sodium chloride' 150 mM 'natural abundance' urea 6 M 'natural abundance' H2O 90 % 'natural abundance' D2O 10 % 'natural abundance' stop_ save_ ############################ # Computer software used # ############################ save_AutoAssign _Saveframe_category software _Name AutoAssign _Version 2.3.0 loop_ _Vendor _Address _Electronic_address 'Zimmerman, Moseley, Kulikowski and Montelione' . . stop_ loop_ _Task 'Automatic assignment' stop_ _Details . save_ save_CcpNmr_Analysis _Saveframe_category software _Name ANALYSIS _Version 2.2 loop_ _Vendor _Address _Electronic_address CCPN 'Department of Biochemistry, Cambridge CB2 1GA, UK' http://www.ccpn.ac.uk stop_ loop_ _Task 'Spectrum analysis' stop_ _Details 'The CCPN NMR assignment and data analysis application' save_ save_MDDNMR _Saveframe_category software _Name MDDNMR _Version 2.1 loop_ _Vendor _Address _Electronic_address '(MDDNMR) Orekhov, Jaravine, Mayzel, Kazimierczuk' . http://nmr.gu.se stop_ loop_ _Task 'Spectrum processing' stop_ _Details . save_ save_TANSY _Saveframe_category software _Name TANSY _Version 1.0 loop_ _Vendor _Address _Electronic_address '(MDDNMR) Orekhov, Jaravine, Mayzel, Kazimierczuk' . . stop_ loop_ _Task 'Spectra processing & analysis' stop_ _Details 'Targeted Acquisition Nmr SpectroscopY' save_ save_NMRPipe _Saveframe_category software _Name NMRPipe _Version any loop_ _Vendor _Address _Electronic_address 'Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax' . . stop_ loop_ _Task 'Spectrum processing' stop_ _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Varian _Model 'Unity Inova' _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 $CD79b_cytosolic_domain_denatured save_ save_3D_HN(ca)CO_2 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HN(ca)CO' _Sample_label $CD79b_cytosolic_domain_denatured save_ save_3D_HNCA_3 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCA' _Sample_label $CD79b_cytosolic_domain_denatured save_ save_3D_HNCACB_4 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCACB' _Sample_label $CD79b_cytosolic_domain_denatured save_ save_3D_HNCO_5 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCO' _Sample_label $CD79b_cytosolic_domain_denatured save_ save_3D_HN(CO)CA_6 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HN(CO)CA' _Sample_label $CD79b_cytosolic_domain_denatured save_ save_3D_HN(COCA)CB_7 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HN(COCA)CB' _Sample_label $CD79b_cytosolic_domain_denatured 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 pH 7.000 0.1 pH pressure 1.000 . atm temperature 283 . 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 TSP C 13 protons ppm 0 internal indirect . . . 0.251449530 TSP H 1 protons ppm 0 internal direct . . . 1 TSP N 15 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_CD79b_cyt_denatured_assigned_chem_shift_list _Saveframe_category assigned_chemical_shifts _Details . loop_ _Experiment_label '2D 1H-15N HSQC' '3D HN(ca)CO' '3D HNCA' '3D HNCACB' '3D HNCO' '3D HN(CO)CA' '3D HN(COCA)CB' stop_ loop_ _Sample_label $CD79b_cytosolic_domain_denatured stop_ _Sample_conditions_label $sample_conditions_1 _Chem_shift_reference_set_label $chemical_shift_reference_1 _Mol_system_component_name CD79b_cyt _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 LEU C C 177.26 . . 2 2 2 LEU CA C 55.819 . . 3 2 2 LEU CB C 42.3333 . . 4 3 3 LEU H H 8.33933 . . 5 3 3 LEU C C 177.171 . . 6 3 3 LEU CA C 55.1098 . . 7 3 3 LEU CB C 42.3623 . . 8 3 3 LEU N N 122.871 . . 9 4 4 ASP H H 8.22049 . . 10 4 4 ASP C C 176.275 . . 11 4 4 ASP CA C 54.4397 . . 12 4 4 ASP CB C 41.4869 . . 13 4 4 ASP N N 122.271 . . 14 5 5 LYS H H 8.31307 . . 15 5 5 LYS C C 176.246 . . 16 5 5 LYS CA C 56.6511 . . 17 5 5 LYS CB C 33.2352 . . 18 5 5 LYS N N 122.619 . . 19 6 6 ASP H H 8.46813 . . 20 6 6 ASP C C 176.161 . . 21 6 6 ASP CA C 54.1942 . . 22 6 6 ASP CB C 41.318 . . 23 6 6 ASP N N 122.547 . . 24 7 7 ASP H H 8.37117 . . 25 7 7 ASP C C 176.769 . . 26 7 7 ASP CA C 54.4339 . . 27 7 7 ASP CB C 41.1836 . . 28 7 7 ASP N N 123.371 . . 29 8 8 SER H H 8.39699 . . 30 8 8 SER C C 174.988 . . 31 8 8 SER CA C 59.3437 . . 32 8 8 SER CB C 63.8209 . . 33 8 8 SER N N 117.691 . . 34 9 9 LYS H H 8.27446 . . 35 9 9 LYS C C 176.427 . . 36 9 9 LYS CA C 56.185 . . 37 9 9 LYS CB C 32.9858 . . 38 9 9 LYS N N 123.78 . . 39 10 10 ALA H H 8.19808 . . 40 10 10 ALA C C 178.383 . . 41 10 10 ALA CA C 52.8783 . . 42 10 10 ALA CB C 19.2725 . . 43 10 10 ALA N N 125.864 . . 44 11 11 GLY H H 8.47094 . . 45 11 11 GLY C C 174.302 . . 46 11 11 GLY CA C 45.332 . . 47 11 11 GLY N N 109.576 . . 48 12 12 MET H H 8.22463 . . 49 12 12 MET C C 176.424 . . 50 12 12 MET CA C 55.5476 . . 51 12 12 MET CB C 33.1745 . . 52 12 12 MET N N 120.715 . . 53 13 13 GLU H H 8.64407 . . 54 13 13 GLU C C 176.543 . . 55 13 13 GLU CA C 56.7313 . . 56 13 13 GLU CB C 30.2348 . . 57 13 13 GLU N N 123.36 . . 58 14 14 GLU H H 8.49465 . . 59 14 14 GLU C C 175.874 . . 60 14 14 GLU CA C 56.4551 . . 61 14 14 GLU CB C 30.7153 . . 62 14 14 GLU N N 123.115 . . 63 15 15 ASP H H 8.44432 . . 64 15 15 ASP C C 176.272 . . 65 15 15 ASP CA C 54.2677 . . 66 15 15 ASP CB C 41.4558 . . 67 15 15 ASP N N 122.62 . . 68 16 16 HIS H H 8.64863 . . 69 16 16 HIS C C 174.787 . . 70 16 16 HIS CA C 55.1598 . . 71 16 16 HIS CB C 29.1221 . . 72 16 16 HIS N N 121.529 . . 73 17 17 THR H H 8.38453 . . 74 17 17 THR C C 174.479 . . 75 17 17 THR CA C 62.959 . . 76 17 17 THR CB C 69.8984 . . 77 17 17 THR N N 117.201 . . 78 18 18 TYR H H 8.41264 . . 79 18 18 TYR C C 175.735 . . 80 18 18 TYR CA C 58.0683 . . 81 18 18 TYR CB C 38.7915 . . 82 18 18 TYR N N 123.537 . . 83 19 19 GLU H H 8.34351 . . 84 19 19 GLU C C 176.567 . . 85 19 19 GLU CA C 56.452 . . 86 19 19 GLU CB C 30.5563 . . 87 19 19 GLU N N 124.5 . . 88 20 20 GLY H H 7.9182 . . 89 20 20 GLY C C 173.802 . . 90 20 20 GLY CA C 45.3161 . . 91 20 20 GLY N N 110.372 . . 92 21 21 LEU H H 8.12362 . . 93 21 21 LEU C C 177.19 . . 94 21 21 LEU CA C 54.9561 . . 95 21 21 LEU CB C 42.9004 . . 96 21 21 LEU N N 122.107 . . 97 22 22 ASP H H 8.57946 . . 98 22 22 ASP C C 176.362 . . 99 22 22 ASP CA C 54.2016 . . 100 22 22 ASP CB C 40.9338 . . 101 22 22 ASP N N 122.855 . . 102 23 23 ILE H H 8.07196 . . 103 23 23 ILE C C 176.007 . . 104 23 23 ILE CA C 61.3734 . . 105 23 23 ILE CB C 39.1814 . . 106 23 23 ILE N N 121.56 . . 107 24 24 ASP H H 8.45211 . . 108 24 24 ASP C C 176.603 . . 109 24 24 ASP CA C 54.3644 . . 110 24 24 ASP CB C 41.1048 . . 111 24 24 ASP N N 124.716 . . 112 25 25 GLN H H 8.46776 . . 113 25 25 GLN C C 176.391 . . 114 25 25 GLN CA C 56.1369 . . 115 25 25 GLN CB C 29.4013 . . 116 25 25 GLN N N 122.968 . . 117 26 26 THR H H 8.3116 . . 118 26 26 THR C C 174.546 . . 119 26 26 THR CA C 62.4602 . . 120 26 26 THR CB C 69.8922 . . 121 26 26 THR N N 115.714 . . 122 27 27 ALA H H 8.19977 . . 123 27 27 ALA C C 177.623 . . 124 27 27 ALA CA C 52.5349 . . 125 27 27 ALA CB C 19.4011 . . 126 27 27 ALA N N 127.501 . . 127 28 28 THR H H 8.13821 . . 128 28 28 THR C C 174.299 . . 129 28 28 THR CA C 61.6182 . . 130 28 28 THR CB C 70.1736 . . 131 28 28 THR N N 114.612 . . 132 29 29 TYR H H 8.30557 . . 133 29 29 TYR C C 175.649 . . 134 29 29 TYR CA C 58.0046 . . 135 29 29 TYR CB C 39.0309 . . 136 29 29 TYR N N 123.618 . . 137 30 30 GLU H H 8.34254 . . 138 30 30 GLU C C 175.775 . . 139 30 30 GLU CA C 56.2884 . . 140 30 30 GLU CB C 30.8622 . . 141 30 30 GLU N N 123.534 . . 142 31 31 ASP H H 8.40509 . . 143 31 31 ASP C C 176.16 . . 144 31 31 ASP CA C 54.3242 . . 145 31 31 ASP CB C 41.2412 . . 146 31 31 ASP N N 123.162 . . 147 32 32 ILE H H 8.12618 . . 148 32 32 ILE C C 176.397 . . 149 32 32 ILE CA C 61.3276 . . 150 32 32 ILE CB C 38.8262 . . 151 32 32 ILE N N 122.423 . . 152 33 33 VAL H H 8.31414 . . 153 33 33 VAL C C 176.513 . . 154 33 33 VAL CA C 62.751 . . 155 33 33 VAL CB C 32.7944 . . 156 33 33 VAL N N 125.863 . . 157 34 34 THR H H 8.29197 . . 158 34 34 THR C C 174.504 . . 159 34 34 THR CA C 62.0932 . . 160 34 34 THR CB C 69.789 . . 161 34 34 THR N N 120.147 . . 162 35 35 LEU H H 8.32084 . . 163 35 35 LEU C C 177.317 . . 164 35 35 LEU CA C 55.1455 . . 165 35 35 LEU CB C 42.4884 . . 166 35 35 LEU N N 126.414 . . 167 36 36 ARG H H 8.59544 . . 168 36 36 ARG C C 176.717 . . 169 36 36 ARG CA C 56.1237 . . 170 36 36 ARG CB C 30.8786 . . 171 36 36 ARG N N 124.057 . . 172 37 37 THR H H 8.28923 . . 173 37 37 THR C C 175.236 . . 174 37 37 THR CA C 62.0954 . . 175 37 37 THR CB C 69.966 . . 176 37 37 THR N N 116.272 . . 177 38 38 GLY H H 8.4718 . . 178 38 38 GLY C C 173.917 . . 179 38 38 GLY CA C 45.1786 . . 180 38 38 GLY N N 112.041 . . 181 39 39 GLU H H 8.23967 . . 182 39 39 GLU C C 176.448 . . 183 39 39 GLU CA C 56.4008 . . 184 39 39 GLU CB C 30.7213 . . 185 39 39 GLU N N 121.801 . . 186 40 40 VAL H H 8.331 . . 187 40 40 VAL C C 175.958 . . 188 40 40 VAL CA C 62.3169 . . 189 40 40 VAL CB C 32.8491 . . 190 40 40 VAL N N 123.645 . . 191 41 41 LYS H H 8.40739 . . 192 41 41 LYS C C 176.059 . . 193 41 41 LYS CA C 56.0238 . . 194 41 41 LYS CB C 33.2701 . . 195 41 41 LYS N N 127.09 . . 196 42 42 TRP H H 8.27066 . . 197 42 42 TRP C C 176.239 . . 198 42 42 TRP CA C 56.9683 . . 199 42 42 TRP CB C 30.0725 . . 200 42 42 TRP N N 124.391 . . 201 43 43 SER H H 8.41812 . . 202 43 43 SER C C 174.317 . . 203 43 43 SER CA C 58.0108 . . 204 43 43 SER CB C 64.1386 . . 205 43 43 SER N N 119.287 . . 206 44 44 VAL H H 8.22376 . . 207 44 44 VAL C C 176.659 . . 208 44 44 VAL CA C 62.7685 . . 209 44 44 VAL CB C 32.7911 . . 210 44 44 VAL N N 122.663 . . 211 45 45 GLY H H 8.43281 . . 212 45 45 GLY C C 173.879 . . 213 45 45 GLY CA C 44.9989 . . 214 45 45 GLY N N 113.078 . . 215 46 46 GLU H H 8.19759 . . 216 46 46 GLU C C 176.146 . . 217 46 46 GLU CA C 56.4601 . . 218 46 46 GLU CB C 30.7269 . . 219 46 46 GLU N N 121.04 . . 220 47 47 HIS H H 8.58003 . . 221 47 47 HIS N N 120.523 . . 222 48 48 PRO C C 177.532 . . 223 48 48 PRO CA C 63.5291 . . 224 48 48 PRO CB C 32.2245 . . 225 49 49 GLY H H 8.642 . . 226 49 49 GLY C C 173.896 . . 227 49 49 GLY CA C 45.232 . . 228 49 49 GLY N N 111.168 . . 229 50 50 GLN H H 8.21935 . . 230 50 50 GLN C C 175.269 . . 231 50 50 GLN CA C 55.7716 . . 232 50 50 GLN CB C 30.0422 . . 233 50 50 GLN N N 121.059 . . 234 51 51 GLU H H 8.278 . . 235 51 51 GLU N N 128.874 . . stop_ save_