data_19656 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; CD79b cytosolic domain phosphorylated, denatured state ; _BMRB_accession_number 19656 _BMRB_flat_file_name bmr19656.str _Entry_type original _Submission_date 2013-12-04 _Accession_date 2013-12-04 _Entry_origination author _NMR_STAR_version 2.1.1 _Experimental_method NMR _Details 'Cytosolic domain of CD79b phosphorylated on the two ITAM tyrosines Tyr196 and Tyr207, denatured state' 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" 47 "13C chemical shifts" 138 "15N chemical shifts" 47 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' 19651 'CD79a cytosolic domain (denatured)' 19655 'CCD79b cytosolic domain phosphorylated (on the two ITAM tyrosines Tyr196 and Tyr207)' 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 phosphorylated' _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label CD79b_cyt_phosp $CD79b_cyt_phosp 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 phosphorylated on the two ITAM tyrosines Tyr196 and Tyr207' save_ ######################## # Monomeric polymers # ######################## save_CD79b_cyt_phosp _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common CD79b_cyt_phosp _Molecular_mass . _Mol_thiol_state 'not present' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 51 _Mol_residue_sequence ; SLLDKDDSKAGMEEDHTXEG LDIDQTATXEDIVTLRTGEV KWSVGEHPGQE ; loop_ _Residue_seq_code _Residue_label 1 SER 2 LEU 3 LEU 4 ASP 5 LYS 6 ASP 7 ASP 8 SER 9 LYS 10 ALA 11 GLY 12 MET 13 GLU 14 GLU 15 ASP 16 HIS 17 THR 18 PTR 19 GLU 20 GLY 21 LEU 22 ASP 23 ILE 24 ASP 25 GLN 26 THR 27 ALA 28 THR 29 PTR 30 GLU 31 ASP 32 ILE 33 VAL 34 THR 35 LEU 36 ARG 37 THR 38 GLY 39 GLU 40 VAL 41 LYS 42 TRP 43 SER 44 VAL 45 GLY 46 GLU 47 HIS 48 PRO 49 GLY 50 GLN 51 GLU stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date 2014-02-17 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 19655 CD79b_cyt_phosp 100.00 51 100.00 100.00 6.71e-25 stop_ save_ ###################### # Polymer residues # ###################### save_chem_comp_PTR _Saveframe_category polymer_residue _Mol_type 'L-PEPTIDE LINKING' _Name_common O-PHOSPHOTYROSINE _BMRB_code PTR _PDB_code PTR _Standard_residue_derivative . _Molecular_mass 261.168 _Mol_paramagnetic . _Details . loop_ _Atom_name _PDB_atom_name _Atom_type _Atom_chirality _Atom_charge _Atom_oxidation_number _Atom_unpaired_electrons N N N . 0 . ? CA CA C . 0 . ? C C C . 0 . ? O O O . 0 . ? OXT OXT O . 0 . ? CB CB C . 0 . ? CG CG C . 0 . ? CD1 CD1 C . 0 . ? CD2 CD2 C . 0 . ? CE1 CE1 C . 0 . ? CE2 CE2 C . 0 . ? CZ CZ C . 0 . ? OH OH O . 0 . ? P P P . 0 . ? O1P O1P O . 0 . ? O2P O2P O . 0 . ? O3P O3P O . 0 . ? H H H . 0 . ? HN2 HN2 H . 0 . ? HA HA H . 0 . ? HXT HXT H . 0 . ? HB2 HB2 H . 0 . ? HB3 HB3 H . 0 . ? HD1 HD1 H . 0 . ? HD2 HD2 H . 0 . ? HE1 HE1 H . 0 . ? HE2 HE2 H . 0 . ? HO2P HO2P H . 0 . ? HO3P HO3P H . 0 . ? stop_ loop_ _Bond_order _Bond_atom_one_atom_name _Bond_atom_two_atom_name _PDB_bond_atom_one_atom_name _PDB_bond_atom_two_atom_name SING N CA ? ? SING N H ? ? SING N HN2 ? ? SING CA C ? ? SING CA CB ? ? SING CA HA ? ? DOUB C O ? ? SING C OXT ? ? SING OXT HXT ? ? SING CB CG ? ? SING CB HB2 ? ? SING CB HB3 ? ? DOUB CG CD1 ? ? SING CG CD2 ? ? SING CD1 CE1 ? ? SING CD1 HD1 ? ? DOUB CD2 CE2 ? ? SING CD2 HD2 ? ? DOUB CE1 CZ ? ? SING CE1 HE1 ? ? SING CE2 CZ ? ? SING CE2 HE2 ? ? SING CZ OH ? ? SING OH P ? ? DOUB P O1P ? ? SING P O2P ? ? SING P O3P ? ? SING O2P HO2P ? ? SING O3P HO3P ? ? 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_phosp 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_phosp '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_phosphorylated_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), 12mM magnesium chloride, ATP, 300nM Fyn kinase, 6M urea' loop_ _Mol_label _Concentration_value _Concentration_value_units _Concentration_min_value _Concentration_max_value _Isotopic_labeling $CD79b_cyt_phosp . uM 200 300 '[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' 'magnesium chloride' 12 mM . . 'natural abundance' ATP 1 mM . . 'natural abundance' 'Fyn kinase' 300 nM . . '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_phosphorylated_denatured save_ save_3D_HN(ca)CO_2 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HN(ca)CO' _Sample_label $CD79b_cytosolic_domain_phosphorylated_denatured save_ save_3D_HNCA_3 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCA' _Sample_label $CD79b_cytosolic_domain_phosphorylated_denatured save_ save_3D_HNCACB_4 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCACB' _Sample_label $CD79b_cytosolic_domain_phosphorylated_denatured save_ save_3D_HNCO_5 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCO' _Sample_label $CD79b_cytosolic_domain_phosphorylated_denatured save_ save_3D_HN(CO)CA_6 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HN(CO)CA' _Sample_label $CD79b_cytosolic_domain_phosphorylated_denatured save_ save_3D_HN(COCA)CB_7 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HN(COCA)CB' _Sample_label $CD79b_cytosolic_domain_phosphorylated_denatured 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 . 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_phosph_denatured_assigned_chem_shift_list _Saveframe_category assigned_chemical_shifts _Details . loop_ _Software_label $TANSY stop_ 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_phosphorylated_denatured stop_ _Sample_conditions_label $sample_conditions_1 _Chem_shift_reference_set_label $chemical_shift_reference_1 _Mol_system_component_name CD79b_cyt_phosp _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 177.22 . . 2 2 2 LEU CA C 55.7918 . . 3 2 2 LEU CB C 42.3125 . . 4 3 3 LEU H H 8.33298 . . 5 3 3 LEU C C 177.149 . . 6 3 3 LEU CA C 55.092 . . 7 3 3 LEU CB C 42.3728 . . 8 3 3 LEU N N 122.909 . . 9 4 4 ASP H H 8.21857 . . 10 4 4 ASP C C 176.249 . . 11 4 4 ASP CA C 54.3463 . . 12 4 4 ASP CB C 41.4169 . . 13 4 4 ASP N N 122.254 . . 14 5 5 LYS H H 8.30555 . . 15 5 5 LYS C C 176.24 . . 16 5 5 LYS CA C 56.6669 . . 17 5 5 LYS CB C 33.2063 . . 18 5 5 LYS N N 122.632 . . 19 6 6 ASP H H 8.45672 . . 20 6 6 ASP C C 176.134 . . 21 6 6 ASP CA C 54.1587 . . 22 6 6 ASP CB C 41.2443 . . 23 6 6 ASP N N 122.461 . . 24 7 7 ASP H H 8.35514 . . 25 7 7 ASP C C 176.721 . . 26 7 7 ASP CA C 54.3386 . . 27 7 7 ASP CB C 41.2128 . . 28 7 7 ASP N N 123.287 . . 29 8 8 SER H H 8.38109 . . 30 8 8 SER C C 174.964 . . 31 8 8 SER CA C 59.3029 . . 32 8 8 SER CB C 63.7825 . . 33 8 8 SER N N 117.641 . . 34 9 9 LYS H H 8.26295 . . 35 9 9 LYS C C 176.404 . . 36 9 9 LYS CA C 56.1823 . . 37 9 9 LYS CB C 32.9726 . . 38 9 9 LYS N N 123.773 . . 39 10 10 ALA H H 8.18738 . . 40 10 10 ALA C C 178.356 . . 41 10 10 ALA CA C 52.8674 . . 42 10 10 ALA CB C 19.2419 . . 43 10 10 ALA N N 125.843 . . 44 11 11 GLY H H 8.45352 . . 45 11 11 GLY C C 174.28 . . 46 11 11 GLY CA C 45.3152 . . 47 11 11 GLY N N 109.536 . . 48 12 12 MET H H 8.20985 . . 49 12 12 MET C C 176.394 . . 50 12 12 MET CA C 55.5356 . . 51 12 12 MET CB C 33.1878 . . 52 12 12 MET N N 120.686 . . 53 13 13 GLU H H 8.62551 . . 54 13 13 GLU C C 176.477 . . 55 13 13 GLU CA C 56.6395 . . 56 13 13 GLU CB C 30.1577 . . 57 13 13 GLU N N 123.29 . . 58 14 14 GLU H H 8.47909 . . 59 14 14 GLU C C 175.847 . . 60 14 14 GLU CA C 56.3396 . . 61 14 14 GLU CB C 30.5363 . . 62 14 14 GLU N N 123.034 . . 63 15 15 ASP H H 8.43751 . . 64 15 15 ASP C C 176.146 . . 65 15 15 ASP CA C 54.3374 . . 66 15 15 ASP CB C 41.386 . . 67 15 15 ASP N N 122.629 . . 68 16 16 HIS H H 8.66195 . . 69 16 16 HIS C C 174.495 . . 70 16 16 HIS CA C 54.8695 . . 71 16 16 HIS CB C 29.0194 . . 72 16 16 HIS N N 121.408 . . 73 17 17 THR H H 8.31491 . . 74 17 17 THR C C 174.299 . . 75 17 17 THR CA C 62.2377 . . 76 17 17 THR CB C 70.0575 . . 77 17 17 THR N N 116.717 . . 78 18 18 PTR H H 8.48959 . . 79 18 18 PTR C C 175.694 . . 80 18 18 PTR CA C 57.7878 . . 81 18 18 PTR CB C 39.0559 . . 82 18 18 PTR N N 123.185 . . 83 19 19 GLU H H 8.43845 . . 84 19 19 GLU C C 176.78 . . 85 19 19 GLU CA C 56.5165 . . 86 19 19 GLU CB C 30.4603 . . 87 19 19 GLU N N 123.494 . . 88 20 20 GLY H H 8.36987 . . 89 20 20 GLY C C 173.907 . . 90 20 20 GLY CA C 45.2963 . . 91 20 20 GLY N N 111.087 . . 92 21 21 LEU H H 8.15382 . . 93 21 21 LEU C C 177.151 . . 94 21 21 LEU CA C 54.9489 . . 95 21 21 LEU CB C 42.8563 . . 96 21 21 LEU N N 122.429 . . 97 22 22 ASP H H 8.57507 . . 98 22 22 ASP C C 176.27 . . 99 22 22 ASP CA C 54.1403 . . 100 22 22 ASP CB C 40.8639 . . 101 22 22 ASP N N 122.921 . . 102 23 23 ILE H H 8.07503 . . 103 23 23 ILE C C 175.989 . . 104 23 23 ILE CA C 61.2857 . . 105 23 23 ILE CB C 39.185 . . 106 23 23 ILE N N 121.664 . . 107 24 24 ASP H H 8.46306 . . 108 24 24 ASP CA C 54.2946 . . 109 24 24 ASP CB C 40.8979 . . 110 24 24 ASP N N 124.864 . . 111 25 25 GLN C C 176.314 . . 112 25 25 GLN CA C 56.017 . . 113 25 25 GLN CB C 29.4378 . . 114 26 26 THR H H 8.30066 . . 115 26 26 THR C C 174.483 . . 116 26 26 THR CA C 62.4065 . . 117 26 26 THR CB C 70.0321 . . 118 26 26 THR N N 116.237 . . 119 27 27 ALA H H 8.28408 . . 120 27 27 ALA C C 177.697 . . 121 27 27 ALA CA C 52.5102 . . 122 27 27 ALA CB C 19.4001 . . 123 27 27 ALA N N 127.725 . . 124 28 28 THR H H 8.17268 . . 125 28 28 THR C C 174.447 . . 126 28 28 THR CA C 61.6111 . . 127 28 28 THR CB C 70.2498 . . 128 28 28 THR N N 114.754 . . 129 29 29 PTR H H 8.34483 . . 130 29 29 PTR C C 175.786 . . 131 29 29 PTR CA C 58.0234 . . 132 29 29 PTR CB C 39.064 . . 133 29 29 PTR N N 123.22 . . 134 30 30 GLU H H 8.434 . . 135 30 30 GLU C C 175.947 . . 136 30 30 GLU CA C 56.4501 . . 137 30 30 GLU CB C 30.5829 . . 138 30 30 GLU N N 122.741 . . 139 31 31 ASP H H 8.40678 . . 140 31 31 ASP C C 176.155 . . 141 31 31 ASP CA C 54.2627 . . 142 31 31 ASP CB C 40.9662 . . 143 31 31 ASP N N 122.977 . . 144 32 32 ILE H H 8.12241 . . 145 32 32 ILE C C 176.413 . . 146 32 32 ILE CA C 61.3614 . . 147 32 32 ILE CB C 38.7221 . . 148 32 32 ILE N N 122.451 . . 149 33 33 VAL H H 8.29947 . . 150 33 33 VAL C C 176.551 . . 151 33 33 VAL CA C 62.8264 . . 152 33 33 VAL CB C 32.7893 . . 153 33 33 VAL N N 125.784 . . 154 34 34 THR H H 8.27086 . . 155 34 34 THR C C 174.525 . . 156 34 34 THR CA C 62.1457 . . 157 34 34 THR CB C 69.7821 . . 158 34 34 THR N N 120.032 . . 159 35 35 LEU H H 8.29955 . . 160 35 35 LEU C C 177.331 . . 161 35 35 LEU CA C 55.1644 . . 162 35 35 LEU CB C 42.4424 . . 163 35 35 LEU N N 126.327 . . 164 36 36 ARG H H 8.57082 . . 165 36 36 ARG C C 176.72 . . 166 36 36 ARG CA C 56.132 . . 167 36 36 ARG CB C 30.8998 . . 168 36 36 ARG N N 123.947 . . 169 37 37 THR H H 8.27343 . . 170 37 37 THR C C 175.229 . . 171 37 37 THR CA C 62.0951 . . 172 37 37 THR CB C 70 . . 173 37 37 THR N N 116.18 . . 174 38 38 GLY H H 8.45251 . . 175 38 38 GLY C C 173.898 . . 176 38 38 GLY CA C 45.1616 . . 177 38 38 GLY N N 111.988 . . 178 39 39 GLU H H 8.22204 . . 179 39 39 GLU C C 176.418 . . 180 39 39 GLU CA C 56.3135 . . 181 39 39 GLU CB C 30.6754 . . 182 39 39 GLU N N 121.745 . . 183 40 40 VAL H H 8.31903 . . 184 40 40 VAL C C 175.947 . . 185 40 40 VAL CA C 62.2877 . . 186 40 40 VAL CB C 32.8474 . . 187 40 40 VAL N N 123.613 . . 188 41 41 LYS H H 8.39642 . . 189 41 41 LYS C C 176.048 . . 190 41 41 LYS CA C 56.0244 . . 191 41 41 LYS CB C 33.2255 . . 192 41 41 LYS N N 127.059 . . 193 42 42 TRP H H 8.26046 . . 194 42 42 TRP C C 176.23 . . 195 42 42 TRP CA C 56.9687 . . 196 42 42 TRP CB C 30.0238 . . 197 42 42 TRP N N 124.351 . . 198 43 43 SER H H 8.40845 . . 199 43 43 SER C C 174.316 . . 200 43 43 SER CA C 57.9698 . . 201 43 43 SER CB C 64.0849 . . 202 43 43 SER N N 119.249 . . 203 44 44 VAL H H 8.21217 . . 204 44 44 VAL C C 176.639 . . 205 44 44 VAL CA C 62.7537 . . 206 44 44 VAL CB C 32.7549 . . 207 44 44 VAL N N 122.64 . . 208 45 45 GLY H H 8.41837 . . 209 45 45 GLY C C 173.857 . . 210 45 45 GLY CA C 44.9811 . . 211 45 45 GLY N N 113.036 . . 212 46 46 GLU H H 8.18227 . . 213 46 46 GLU C C 176.13 . . 214 46 46 GLU CA C 56.4231 . . 215 46 46 GLU CB C 30.6739 . . 216 46 46 GLU N N 120.971 . . 217 47 47 HIS H H 8.58357 . . 218 47 47 HIS N N 120.321 . . 219 48 48 PRO C C 177.541 . . 220 48 48 PRO CA C 63.5146 . . 221 48 48 PRO CB C 32.2366 . . 222 49 49 GLY H H 8.61549 . . 223 49 49 GLY C C 173.876 . . 224 49 49 GLY CA C 45.2325 . . 225 49 49 GLY N N 111.09 . . 226 50 50 GLN H H 8.20731 . . 227 50 50 GLN C C 175.263 . . 228 50 50 GLN CA C 55.7667 . . 229 50 50 GLN CB C 30.0597 . . 230 50 50 GLN N N 121.011 . . 231 51 51 GLU H H 8.26749 . . 232 51 51 GLU N N 128.801 . . stop_ save_