data_19648 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; CD79a cytosolic domain phosphorylated ; _BMRB_accession_number 19648 _BMRB_flat_file_name bmr19648.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 CD79a phosphorylated at the two ITAM tyrosines Tyr188 and Tyr199, and additionally on the non-ITAM tyrosine Tyr210' 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" 60 "13C chemical shifts" 172 "15N chemical shifts" 60 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' 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)' 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 'CD79a cytosolic domain phosphorylated' _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label CD79a_cyt_phosp $CD79a_cyt_phosp stop_ _System_molecular_weight . _System_physical_state native _System_oligomer_state ? _System_paramagnetic no _System_thiol_state . _Database_query_date . _Details 'Cytosolic domain of CD79a phosphorylated at the two ITAM tyrosines Tyr188 and Tyr199, and additionally on the non-ITAM tyrosine Tyr210' save_ ######################## # Monomeric polymers # ######################## save_CD79a_cyt_phosp _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common CD79a_cyt_phosp _Molecular_mass . _Mol_thiol_state reduced _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 63 _Mol_residue_sequence ; SLRKRWQNEKLGLDAGDEYE DENLYEGLNLDDCSMYEDIS RGLQGTYQDVGSLNIGDVQL EKP ; loop_ _Residue_seq_code _Residue_author_seq_code _Residue_label 1 1 SER 2 2 LEU 3 3 ARG 4 4 LYS 5 5 ARG 6 6 TRP 7 7 GLN 8 8 ASN 9 9 GLU 10 10 LYS 11 11 LEU 12 12 GLY 13 13 LEU 14 14 ASP 15 15 ALA 16 16 GLY 17 17 ASP 18 18 GLU 19 19 TYR 20 20 GLU 21 21 ASP 22 22 GLU 23 23 ASN 24 24 LEU 25 25 TYR 26 26 GLU 27 27 GLY 28 28 LEU 29 29 ASN 30 30 LEU 31 31 ASP 32 32 ASP 33 33 CYS 34 34 SER 35 35 MET 36 36 TYR 37 37 GLU 38 38 ASP 39 39 ILE 40 40 SER 41 41 ARG 42 42 GLY 43 43 LEU 44 44 GLN 45 45 GLY 46 46 THR 47 47 TYR 48 48 GLN 49 49 ASP 50 50 VAL 51 51 GLY 52 52 SER 53 53 LEU 54 54 ASN 55 55 ILE 56 56 GLY 57 57 ASP 58 58 VAL 59 59 GLN 60 60 LEU 61 61 GLU 62 62 LYS 63 63 PRO stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date 2015-01-29 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 18867 CD79a 100.00 63 100.00 100.00 5.85e-36 BMRB 19644 CD79a_cyt 96.83 61 100.00 100.00 5.82e-34 BMRB 19645 CD79a_cyt 100.00 63 100.00 100.00 5.85e-36 BMRB 19649 CD79a_cyt_phosph_assigned_chem_shift_list 100.00 63 100.00 100.00 5.85e-36 BMRB 19723 cytoplasmic_Ig-alpha_polypeptide 96.83 99 100.00 100.00 4.58e-35 BMRB 19724 cytoplasmic_Ig-alpha_polypeptide 96.83 99 100.00 100.00 4.58e-35 DBJ BAG37737 "unnamed protein product [Homo sapiens]" 98.41 226 98.39 98.39 5.14e-34 EMBL CAA31802 "pot. h-MB-1 protein (54 AA) [Homo sapiens]" 52.38 54 96.97 96.97 1.41e-12 EMBL CAA58523 "Ig-alpha, variant [Homo sapiens]" 98.41 188 98.39 98.39 1.57e-34 GB AAA20495 "MB-1 [Homo sapiens]" 98.41 226 98.39 98.39 5.14e-34 GB AAA57274 "immunoglobulin-associated signalling molecule [Homo sapiens]" 98.41 226 98.39 98.39 5.14e-34 GB AAA59556 "extracellular domain [Homo sapiens]" 98.41 226 98.39 98.39 5.14e-34 GB AAA59557 "signal transduction via sig in B lymphocytes; putative [Homo sapiens]" 98.41 226 98.39 98.39 5.14e-34 GB AAA60270 "B-cell antigen receptor alpha subunit [Homo sapiens]" 98.41 226 98.39 98.39 5.30e-34 REF NP_001774 "B-cell antigen receptor complex-associated protein alpha chain isoform 1 precursor [Homo sapiens]" 98.41 226 98.39 98.39 5.14e-34 REF NP_067612 "B-cell antigen receptor complex-associated protein alpha chain isoform 2 precursor [Homo sapiens]" 98.41 188 98.39 98.39 1.57e-34 REF XP_001152742 "PREDICTED: B-cell antigen receptor complex-associated protein alpha chain [Pan troglodytes]" 98.41 226 98.39 98.39 4.24e-34 REF XP_002829327 "PREDICTED: B-cell antigen receptor complex-associated protein alpha chain isoform X1 [Pongo abelii]" 98.41 227 98.39 98.39 4.11e-34 REF XP_003779238 "PREDICTED: B-cell antigen receptor complex-associated protein alpha chain isoform X2 [Pongo abelii]" 98.41 189 98.39 98.39 1.23e-34 SP P11912 "RecName: Full=B-cell antigen receptor complex-associated protein alpha chain; AltName: Full=Ig-alpha; AltName: Full=MB-1 membra" 98.41 226 98.39 98.39 5.14e-34 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 $CD79a_cyt_phosp human 9606 Eukaryota Metazoa Homo sapiens CD79A 'cytosolic domain. UniProt ID P11912' 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 $CD79a_cyt_phosp 'cell free synthesis' . E. "coli - cell free" . pEXP5-NT 'E. coli S12 extract' stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_CD79a_cytosolic_domain_phosphorylated _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' loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $CD79a_cyt_phosp 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' 'magnesium chloride' 12 mM 'natural abundance' ATP 1 mM 'natural abundance' 'Fyn kinase' 300 nM 'natural abundance' 'sodium chloride' 150 mM '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 2.22 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 UnityInova _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 $CD79a_cytosolic_domain_phosphorylated save_ save_3D_HN(ca)CO_2 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HN(ca)CO' _Sample_label $CD79a_cytosolic_domain_phosphorylated save_ save_3D_HNCA_3 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCA' _Sample_label $CD79a_cytosolic_domain_phosphorylated save_ save_3D_HNCACB_4 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCACB' _Sample_label $CD79a_cytosolic_domain_phosphorylated save_ save_3D_HNCO_5 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCO' _Sample_label $CD79a_cytosolic_domain_phosphorylated save_ save_3D_HN(CO)CA_6 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HN(CO)CA' _Sample_label $CD79a_cytosolic_domain_phosphorylated save_ save_3D_HN(COCA)CB_7 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HN(COCA)CB' _Sample_label $CD79a_cytosolic_domain_phosphorylated 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 288.000 . 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_CD79a_cyt_phosph_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 $CD79a_cytosolic_domain_phosphorylated stop_ _Sample_conditions_label $sample_conditions_1 _Chem_shift_reference_set_label $chemical_shift_reference_1 _Mol_system_component_name CD79a_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 177.14 . . 2 2 2 LEU CA C 55.4461 . . 3 2 2 LEU CB C 42.4811 . . 4 3 3 ARG H H 8.43514 . . 5 3 3 ARG C C 176.175 . . 6 3 3 ARG CA C 56.1168 . . 7 3 3 ARG CB C 30.9567 . . 8 3 3 ARG N N 123.114 . . 9 4 4 LYS H H 8.34 . . 10 4 4 LYS C C 176.681 . . 11 4 4 LYS CA C 56.245 . . 12 4 4 LYS CB C 33.0719 . . 13 4 4 LYS N N 123.816 . . 14 5 5 ARG H H 8.38794 . . 15 5 5 ARG C C 175.95 . . 16 5 5 ARG CB C 30.5663 . . 17 5 5 ARG N N 123.193 . . 18 6 6 TRP H H 8.38546 . . 19 6 6 TRP C C 176.439 . . 20 6 6 TRP CA C 57.3974 . . 21 6 6 TRP CB C 29.4571 . . 22 6 6 TRP N N 122.812 . . 23 7 7 GLN H H 8.15422 . . 24 7 7 GLN C C 175.74 . . 25 7 7 GLN CA C 56.4466 . . 26 7 7 GLN CB C 29.3645 . . 27 7 7 GLN N N 122.102 . . 28 8 8 ASN H H 8.21259 . . 29 8 8 ASN C C 175.558 . . 30 8 8 ASN CA C 53.6625 . . 31 8 8 ASN CB C 38.7386 . . 32 8 8 ASN N N 119.537 . . 33 9 9 GLU H H 8.40364 . . 34 9 9 GLU C C 176.816 . . 35 9 9 GLU CA C 57.4006 . . 36 9 9 GLU CB C 29.9856 . . 37 9 9 GLU N N 122.01 . . 38 10 10 LYS H H 8.20992 . . 39 10 10 LYS C C 176.702 . . 40 10 10 LYS CA C 56.6179 . . 41 10 10 LYS CB C 32.6223 . . 42 10 10 LYS N N 121.879 . . 43 11 11 LEU H H 8.037 . . 44 11 11 LEU C C 177.84 . . 45 11 11 LEU CA C 55.2132 . . 46 11 11 LEU CB C 42.4882 . . 47 11 11 LEU N N 122.574 . . 48 12 12 GLY H H 8.25859 . . 49 12 12 GLY C C 174.324 . . 50 12 12 GLY CA C 45.4175 . . 51 12 12 GLY N N 110.041 . . 52 13 13 LEU H H 8.06513 . . 53 13 13 LEU C C 177.291 . . 54 13 13 LEU CA C 55.2434 . . 55 13 13 LEU CB C 42.3946 . . 56 13 13 LEU N N 122.112 . . 57 14 14 ASP H H 8.40328 . . 58 14 14 ASP C C 176 . . 59 14 14 ASP CA C 54.2291 . . 60 14 14 ASP CB C 41.1808 . . 61 14 14 ASP N N 121.632 . . 62 15 15 ALA H H 8.18768 . . 63 15 15 ALA C C 178.286 . . 64 15 15 ALA CA C 52.8739 . . 65 15 15 ALA CB C 19.36 . . 66 15 15 ALA N N 125.138 . . 67 16 16 GLY H H 8.38053 . . 68 16 16 GLY C C 174.118 . . 69 16 16 GLY CA C 45.2704 . . 70 16 16 GLY N N 108.788 . . 71 17 17 ASP H H 8.16435 . . 72 17 17 ASP C C 176.302 . . 73 17 17 ASP CA C 54.4123 . . 74 17 17 ASP CB C 41.3454 . . 75 17 17 ASP N N 121.152 . . 76 18 18 GLU H H 8.38902 . . 77 18 18 GLU C C 176.102 . . 78 18 18 GLU CA C 56.6736 . . 79 18 18 GLU CB C 30.2103 . . 80 18 18 GLU N N 121.271 . . 81 19 19 TYR H H 8.16845 . . 82 19 19 TYR C C 175.684 . . 83 19 19 TYR CA C 57.8743 . . 84 19 19 TYR CB C 39.0342 . . 85 19 19 TYR N N 121.614 . . 86 20 20 GLU H H 8.19478 . . 87 20 20 GLU C C 175.773 . . 88 20 20 GLU CA C 56.2491 . . 89 20 20 GLU CB C 30.6148 . . 90 20 20 GLU N N 123.51 . . 91 21 21 ASP H H 8.30001 . . 92 21 21 ASP C C 176.417 . . 93 21 21 ASP CA C 54.3874 . . 94 21 21 ASP CB C 41.3107 . . 95 21 21 ASP N N 122.609 . . 96 22 22 GLU H H 8.42986 . . 97 22 22 GLU C C 176.271 . . 98 22 22 GLU CA C 56.9172 . . 99 22 22 GLU CB C 30.3272 . . 100 22 22 GLU N N 122.692 . . 101 23 23 ASN H H 8.52047 . . 102 23 23 ASN C C 175.219 . . 103 23 23 ASN CA C 53.3082 . . 104 23 23 ASN CB C 38.7373 . . 105 23 23 ASN N N 120.36 . . 106 24 24 LEU H H 8.10953 . . 107 24 24 LEU C C 177.26 . . 108 24 24 LEU CA C 55.3543 . . 109 24 24 LEU CB C 42.2331 . . 110 24 24 LEU N N 123.175 . . 111 25 25 TYR H H 8.20479 . . 112 25 25 TYR C C 175.933 . . 113 25 25 TYR CA C 58.032 . . 114 25 25 TYR CB C 38.7354 . . 115 25 25 TYR N N 121.105 . . 116 26 26 GLU H H 8.21481 . . 117 26 26 GLU C C 176.772 . . 118 26 26 GLU CA C 56.7695 . . 119 26 26 GLU CB C 30.2663 . . 120 26 26 GLU N N 123.165 . . 121 27 27 GLY H H 8.15429 . . 122 27 27 GLY C C 174.002 . . 123 27 27 GLY CA C 45.3759 . . 124 27 27 GLY N N 110.514 . . 125 28 28 LEU H H 8.02323 . . 126 28 28 LEU C C 176.949 . . 127 28 28 LEU CA C 55.1088 . . 128 28 28 LEU CB C 42.6666 . . 129 28 28 LEU N N 122.022 . . 130 29 29 ASN H H 8.54368 . . 131 29 29 ASN C C 175.301 . . 132 29 29 ASN CA C 53.0424 . . 133 29 29 ASN CB C 38.6919 . . 134 29 29 ASN N N 120.697 . . 135 30 30 LEU H H 8.31796 . . 136 30 30 LEU C C 177.475 . . 137 30 30 LEU CA C 55.4174 . . 138 30 30 LEU CB C 42.1353 . . 139 30 30 LEU N N 123.871 . . 140 31 31 ASP H H 8.28503 . . 141 31 31 ASP C C 176.16 . . 142 31 31 ASP CA C 54.6461 . . 143 31 31 ASP CB C 41.1296 . . 144 31 31 ASP N N 121.105 . . 145 32 32 ASP H H 8.1524 . . 146 32 32 ASP C C 176.492 . . 147 32 32 ASP CA C 54.4258 . . 148 32 32 ASP CB C 40.9813 . . 149 32 32 ASP N N 121.363 . . 150 33 33 CYS H H 8.28704 . . 151 33 33 CYS C C 175.016 . . 152 33 33 CYS CA C 58.8418 . . 153 33 33 CYS CB C 27.9825 . . 154 33 33 CYS N N 120.367 . . 155 34 34 SER H H 8.42945 . . 156 34 34 SER C C 174.778 . . 157 34 34 SER CA C 59.039 . . 158 34 34 SER CB C 63.57 . . 159 34 34 SER N N 119.111 . . 160 35 35 MET H H 8.31858 . . 161 35 35 MET C C 176.108 . . 162 35 35 MET CA C 55.7499 . . 163 35 35 MET CB C 32.462 . . 164 35 35 MET N N 122.704 . . 165 36 36 TYR H H 8.09646 . . 166 36 36 TYR C C 176.024 . . 167 36 36 TYR CA C 58.1136 . . 168 36 36 TYR CB C 38.8951 . . 169 36 36 TYR N N 121.32 . . 170 37 37 GLU H H 8.28508 . . 171 37 37 GLU C C 176.067 . . 172 37 37 GLU CA C 56.7461 . . 173 37 37 GLU CB C 30.4887 . . 174 37 37 GLU N N 122.327 . . 175 38 38 ASP H H 8.32799 . . 176 38 38 ASP C C 177.009 . . 177 38 38 ASP CA C 54.389 . . 178 38 38 ASP CB C 41.0444 . . 179 38 38 ASP N N 122.309 . . 180 39 39 ILE H H 8.12773 . . 181 39 39 ILE C C 177.011 . . 182 39 39 ILE CA C 61.9866 . . 183 39 39 ILE CB C 38.6098 . . 184 39 39 ILE N N 122.161 . . 185 40 40 SER H H 8.36059 . . 186 40 40 SER C C 175.211 . . 187 40 40 SER CA C 59.2969 . . 188 40 40 SER CB C 63.5641 . . 189 40 40 SER N N 119.398 . . 190 41 41 ARG H H 8.13367 . . 191 41 41 ARG C C 177.087 . . 192 41 41 ARG CA C 56.7233 . . 193 41 41 ARG CB C 30.4574 . . 194 41 41 ARG N N 123.331 . . 195 42 42 GLY H H 8.22795 . . 196 42 42 GLY C C 174.365 . . 197 42 42 GLY CA C 45.42 . . 198 42 42 GLY N N 109.573 . . 199 43 43 LEU H H 8.07318 . . 200 43 43 LEU C C 177.767 . . 201 43 43 LEU CA C 55.2384 . . 202 43 43 LEU CB C 42.2633 . . 203 43 43 LEU N N 122.112 . . 204 44 44 GLN H H 8.39541 . . 205 44 44 GLN C C 176.625 . . 206 44 44 GLN CA C 56.1452 . . 207 44 44 GLN CB C 29.3729 . . 208 44 44 GLN N N 121.541 . . 209 45 45 GLY H H 8.48225 . . 210 45 45 GLY C C 174.336 . . 211 45 45 GLY CA C 45.4271 . . 212 45 45 GLY N N 111.007 . . 213 46 46 THR H H 7.9788 . . 214 46 46 THR C C 174.564 . . 215 46 46 THR CA C 61.7749 . . 216 46 46 THR CB C 70.0525 . . 217 46 46 THR N N 113.989 . . 218 47 47 TYR H H 8.26919 . . 219 47 47 TYR C C 175.766 . . 220 47 47 TYR CA C 57.9788 . . 221 47 47 TYR CB C 38.7457 . . 222 47 47 TYR N N 122.836 . . 223 48 48 GLN H H 8.23585 . . 224 48 48 GLN C C 175.316 . . 225 48 48 GLN CA C 55.7968 . . 226 48 48 GLN CB C 29.6744 . . 227 48 48 GLN N N 121.95 . . 228 49 49 ASP H H 8.37422 . . 229 49 49 ASP C C 176.668 . . 230 49 49 ASP CA C 54.2077 . . 231 49 49 ASP CB C 41.1829 . . 232 49 49 ASP N N 122.903 . . 233 50 50 VAL H H 8.2048 . . 234 50 50 VAL C C 177.117 . . 235 50 50 VAL CA C 62.8851 . . 236 50 50 VAL CB C 32.2707 . . 237 50 50 VAL N N 121.41 . . 238 51 51 GLY H H 8.49775 . . 239 51 51 GLY C C 174.498 . . 240 51 51 GLY CA C 45.5308 . . 241 51 51 GLY N N 112.5 . . 242 52 52 SER H H 8.09688 . . 243 52 52 SER C C 174.625 . . 244 52 52 SER CA C 58.4702 . . 245 52 52 SER CB C 63.803 . . 246 52 52 SER N N 116.264 . . 247 53 53 LEU H H 8.16432 . . 248 53 53 LEU C C 177.068 . . 249 53 53 LEU CA C 55.2965 . . 250 53 53 LEU CB C 42.427 . . 251 53 53 LEU N N 124.21 . . 252 54 54 ASN H H 8.43905 . . 253 54 54 ASN C C 175.276 . . 254 54 54 ASN CA C 53.0771 . . 255 54 54 ASN CB C 38.7837 . . 256 54 54 ASN N N 120.607 . . 257 55 55 ILE H H 8.1147 . . 258 55 55 ILE C C 176.822 . . 259 55 55 ILE CA C 61.6795 . . 260 55 55 ILE CB C 38.6581 . . 261 55 55 ILE N N 121.891 . . 262 56 56 GLY H H 8.4289 . . 263 56 56 GLY C C 173.902 . . 264 56 56 GLY CA C 45.2123 . . 265 56 56 GLY N N 113.007 . . 266 57 57 ASP H H 8.15344 . . 267 57 57 ASP C C 176.457 . . 268 57 57 ASP CA C 54.3871 . . 269 57 57 ASP CB C 41.2135 . . 270 57 57 ASP N N 121.5 . . 271 58 58 VAL H H 8.04619 . . 272 58 58 VAL C C 176.155 . . 273 58 58 VAL CA C 62.4921 . . 274 58 58 VAL CB C 32.814 . . 275 58 58 VAL N N 121.391 . . 276 59 59 GLN H H 8.48272 . . 277 59 59 GLN C C 175.776 . . 278 59 59 GLN CA C 55.533 . . 279 59 59 GLN CB C 29.3555 . . 280 59 59 GLN N N 125.153 . . 281 60 60 LEU H H 8.26744 . . 282 60 60 LEU C C 177.314 . . 283 60 60 LEU CA C 55.1108 . . 284 60 60 LEU CB C 42.5599 . . 285 60 60 LEU N N 124.932 . . 286 61 61 GLU H H 8.34105 . . 287 61 61 GLU C C 175.986 . . 288 61 61 GLU CA C 56.3311 . . 289 61 61 GLU CB C 30.3471 . . 290 61 61 GLU N N 122.678 . . 291 62 62 LYS H H 8.33009 . . 292 62 62 LYS N N 125.203 . . stop_ save_