data_19645 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; CD79a cytosolic domain denatured ; _BMRB_accession_number 19645 _BMRB_flat_file_name bmr19645.str _Entry_type original _Submission_date 2013-12-02 _Accession_date 2013-12-02 _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 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" 173 "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)' 19648 'CD79a cytosolic domain phosphorylated' 19649 'CD79a cytosolic domain phosphorylated (denatured)' 19650 'CD79b cytosolic domain' 19651 'CD79b cytosolic domain denatured' 19655 'CD79b 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_ loop_ _Editor_ordinal _Editor_family_name _Editor_given_name _Editor_middle_initials _Editor_family_title 1 Isaksson Linnea . . 2 Mayzel Maxim . . 3 Orekhov Vladislav . . stop_ save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name 'CD79a cytosolic domain' _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label CD79a_cyt $CD79a_cyt stop_ _System_molecular_weight 7188.7093 _System_physical_state denatured _System_oligomer_state ? _System_paramagnetic no _System_thiol_state reduced _Database_query_date . _Details . save_ ######################## # Monomeric polymers # ######################## save_CD79a_cyt _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common CD79a_cyt _Molecular_mass 7188.7093 _Mol_thiol_state 'all free' _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 19648 CD79a_cyt_phosp 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 _Tissue _Cell_type _Gene_mnemonic _Details $CD79a_cyt Human 9606 Eukaryota Metazoa Homo sapiens B-cells B-Cell 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 'cell free synthesis' 'batch cell-free' E. "coli - cell free" . pEXP5-NT 'E. coli S12 extract' stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_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 _Concentration_min_value _Concentration_max_value _Isotopic_labeling $CD79a_cyt . uM 200 300 '[U-99% 13C; U-99% 15N]' DTT 2 mM . . 'natural abundance' 'sodium phosphate' 20 mM . . 'natural abundance' azide 0.02 % . . 'natural abundance' 'Complete EDTA-free' 1 x . . 'natural abundance' 'sodium chloride' 150 mM . . 'natural abundance' TSP 100 uM . . 'natural abundance' urea 6 M . . 'natural abundance' H2O 90 % . . 'natural abundance' D2O 10 % . . '[U-100% 2H]' 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) Mayzel, Orekhov' . . 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 $Denatured save_ save_3D_HN(ca)CO_2 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HN(ca)CO' _Sample_label $Denatured save_ save_3D_HNCA_3 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCA' _Sample_label $Denatured save_ save_3D_HNCACB_4 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCACB' _Sample_label $Denatured save_ save_3D_HNCO_5 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCO' _Sample_label $Denatured save_ save_3D_HN(CO)CA_6 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HN(CO)CA' _Sample_label $Denatured save_ save_3D_HN(COCA)CB_7 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HN(COCA)CB' _Sample_label $Denatured save_ ####################### # Sample conditions # ####################### save_Denatured_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 0.1 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 . . . 1.000000000 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__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 $Denatured stop_ _Sample_conditions_label $Denatured_1 _Chem_shift_reference_set_label $chemical_shift_reference_1 _Mol_system_component_name CD79a_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 177.143 . . 2 2 2 LEU CA C 55.2146 . . 3 2 2 LEU CB C 42.6333 . . 4 3 3 ARG H H 8.57308 . . 5 3 3 ARG C C 176.28 . . 6 3 3 ARG CA C 56.0651 . . 7 3 3 ARG CB C 31.0036 . . 8 3 3 ARG N N 124.11 . . 9 4 4 LYS H H 8.50758 . . 10 4 4 LYS C C 176.527 . . 11 4 4 LYS CA C 56.3278 . . 12 4 4 LYS CB C 33.3721 . . 13 4 4 LYS N N 124.961 . . 14 5 5 ARG H H 8.51546 . . 15 5 5 ARG C C 176.195 . . 16 5 5 ARG CA C 56.3454 . . 17 5 5 ARG CB C 31.0429 . . 18 5 5 ARG N N 124.067 . . 19 6 6 TRP H H 8.34494 . . 20 6 6 TRP C C 176.33 . . 21 6 6 TRP CA C 57.1469 . . 22 6 6 TRP CB C 29.842 . . 23 6 6 TRP N N 123.438 . . 24 7 7 GLN H H 8.36563 . . 25 7 7 GLN C C 175.478 . . 26 7 7 GLN CA C 56.1859 . . 27 7 7 GLN CB C 29.5941 . . 28 7 7 GLN N N 122.965 . . 29 8 8 ASN H H 8.34321 . . 30 8 8 ASN C C 175.28 . . 31 8 8 ASN CA C 53.419 . . 32 8 8 ASN CB C 38.825 . . 33 8 8 ASN N N 120.208 . . 34 9 9 GLU H H 8.45306 . . 35 9 9 GLU C C 176.368 . . 36 9 9 GLU CA C 57.1473 . . 37 9 9 GLU CB C 30.4107 . . 38 9 9 GLU N N 122.484 . . 39 10 10 LYS H H 8.36505 . . 40 10 10 LYS C C 176.468 . . 41 10 10 LYS CA C 56.4318 . . 42 10 10 LYS CB C 32.9118 . . 43 10 10 LYS N N 122.991 . . 44 11 11 LEU H H 8.23958 . . 45 11 11 LEU C C 177.802 . . 46 11 11 LEU CA C 55.1317 . . 47 11 11 LEU CB C 42.6713 . . 48 11 11 LEU N N 124.101 . . 49 12 12 GLY H H 8.39151 . . 50 12 12 GLY C C 174.166 . . 51 12 12 GLY CA C 45.2984 . . 52 12 12 GLY N N 110.541 . . 53 13 13 LEU H H 8.1528 . . 54 13 13 LEU C C 177.302 . . 55 13 13 LEU CA C 55.2799 . . 56 13 13 LEU CB C 42.605 . . 57 13 13 LEU N N 122.434 . . 58 14 14 ASP H H 8.49193 . . 59 14 14 ASP C C 176.031 . . 60 14 14 ASP CA C 54.1842 . . 61 14 14 ASP CB C 41.4 . . 62 14 14 ASP N N 121.945 . . 63 15 15 ALA H H 8.24079 . . 64 15 15 ALA C C 178.174 . . 65 15 15 ALA CA C 52.9324 . . 66 15 15 ALA CB C 19.4192 . . 67 15 15 ALA N N 125.257 . . 68 16 16 GLY H H 8.40589 . . 69 16 16 GLY C C 173.993 . . 70 16 16 GLY CA C 45.245 . . 71 16 16 GLY N N 108.915 . . 72 17 17 ASP H H 8.21148 . . 73 17 17 ASP C C 176.316 . . 74 17 17 ASP CA C 54.4028 . . 75 17 17 ASP CB C 41.5964 . . 76 17 17 ASP N N 121.335 . . 77 18 18 GLU H H 8.45631 . . 78 18 18 GLU C C 176.112 . . 79 18 18 GLU CA C 56.7142 . . 80 18 18 GLU CB C 30.457 . . 81 18 18 GLU N N 121.669 . . 82 19 19 TYR H H 8.25744 . . 83 19 19 TYR C C 175.682 . . 84 19 19 TYR CA C 57.8839 . . 85 19 19 TYR CB C 39.0659 . . 86 19 19 TYR N N 121.994 . . 87 20 20 GLU H H 8.28933 . . 88 20 20 GLU C C 175.733 . . 89 20 20 GLU CA C 56.1761 . . 90 20 20 GLU CB C 30.9678 . . 91 20 20 GLU N N 123.986 . . 92 21 21 ASP H H 8.38827 . . 93 21 21 ASP C C 176.46 . . 94 21 21 ASP CA C 54.3593 . . 95 21 21 ASP CB C 41.4928 . . 96 21 21 ASP N N 123.125 . . 97 22 22 GLU H H 8.53728 . . 98 22 22 GLU C C 176.399 . . 99 22 22 GLU CA C 57.0079 . . 100 22 22 GLU CB C 30.4067 . . 101 22 22 GLU N N 123.195 . . 102 23 23 ASN H H 8.57865 . . 103 23 23 ASN C C 175.216 . . 104 23 23 ASN CA C 53.3935 . . 105 23 23 ASN CB C 38.8175 . . 106 23 23 ASN N N 120.594 . . 107 24 24 LEU H H 8.0945 . . 108 24 24 LEU C C 177.093 . . 109 24 24 LEU CA C 55.4242 . . 110 24 24 LEU CB C 42.3304 . . 111 24 24 LEU N N 123.349 . . 112 25 25 TYR H H 8.19896 . . 113 25 25 TYR C C 175.905 . . 114 25 25 TYR CA C 57.8799 . . 115 25 25 TYR CB C 38.8365 . . 116 25 25 TYR N N 121.365 . . 117 26 26 GLU H H 8.27579 . . 118 26 26 GLU C C 176.668 . . 119 26 26 GLU CA C 56.6235 . . 120 26 26 GLU CB C 30.5518 . . 121 26 26 GLU N N 123.998 . . 122 27 27 GLY H H 7.9907 . . 123 27 27 GLY C C 173.761 . . 124 27 27 GLY CA C 45.3174 . . 125 27 27 GLY N N 110.47 . . 126 28 28 LEU H H 8.0714 . . 127 28 28 LEU C C 176.961 . . 128 28 28 LEU CA C 55.0529 . . 129 28 28 LEU CB C 42.8716 . . 130 28 28 LEU N N 122.134 . . 131 29 29 ASN H H 8.67902 . . 132 29 29 ASN C C 175.403 . . 133 29 29 ASN CA C 53.0132 . . 134 29 29 ASN CB C 38.7589 . . 135 29 29 ASN N N 121.49 . . 136 30 30 LEU H H 8.38218 . . 137 30 30 LEU C C 177.356 . . 138 30 30 LEU CA C 55.3958 . . 139 30 30 LEU CB C 42.2627 . . 140 30 30 LEU N N 124.53 . . 141 31 31 ASP H H 8.34873 . . 142 31 31 ASP C C 176.166 . . 143 31 31 ASP CA C 54.6247 . . 144 31 31 ASP CB C 41.245 . . 145 31 31 ASP N N 121.348 . . 146 32 32 ASP H H 8.20093 . . 147 32 32 ASP C C 176.538 . . 148 32 32 ASP CA C 54.3728 . . 149 32 32 ASP CB C 41.3165 . . 150 32 32 ASP N N 121.497 . . 151 33 33 CYS H H 8.36494 . . 152 33 33 CYS C C 175.086 . . 153 33 33 CYS CA C 58.8798 . . 154 33 33 CYS CB C 28.0604 . . 155 33 33 CYS N N 120.811 . . 156 34 34 SER H H 8.47427 . . 157 34 34 SER C C 174.781 . . 158 34 34 SER CA C 59.2842 . . 159 34 34 SER CB C 63.7538 . . 160 34 34 SER N N 119.275 . . 161 35 35 MET H H 8.2856 . . 162 35 35 MET C C 175.901 . . 163 35 35 MET CA C 55.9398 . . 164 35 35 MET CB C 32.7076 . . 165 35 35 MET N N 122.657 . . 166 36 36 TYR H H 8.08493 . . 167 36 36 TYR C C 175.748 . . 168 36 36 TYR CA C 57.945 . . 169 36 36 TYR CB C 38.945 . . 170 36 36 TYR N N 121.727 . . 171 37 37 GLU H H 8.24545 . . 172 37 37 GLU C C 175.767 . . 173 37 37 GLU CA C 56.398 . . 174 37 37 GLU CB C 30.9115 . . 175 37 37 GLU N N 123.45 . . 176 38 38 ASP H H 8.44375 . . 177 38 38 ASP C C 176.797 . . 178 38 38 ASP CA C 54.1761 . . 179 38 38 ASP CB C 41.2328 . . 180 38 38 ASP N N 123.132 . . 181 39 39 ILE H H 8.15522 . . 182 39 39 ILE C C 176.75 . . 183 39 39 ILE CA C 61.7584 . . 184 39 39 ILE CB C 38.749 . . 185 39 39 ILE N N 122.421 . . 186 40 40 SER H H 8.43022 . . 187 40 40 SER C C 175.077 . . 188 40 40 SER CA C 59.168 . . 189 40 40 SER CB C 63.7098 . . 190 40 40 SER N N 119.847 . . 191 41 41 ARG H H 8.21422 . . 192 41 41 ARG C C 176.87 . . 193 41 41 ARG CA C 56.4933 . . 194 41 41 ARG CB C 30.8545 . . 195 41 41 ARG N N 123.722 . . 196 42 42 GLY H H 8.27199 . . 197 42 42 GLY C C 174.174 . . 198 42 42 GLY CA C 45.2842 . . 199 42 42 GLY N N 109.949 . . 200 43 43 LEU H H 8.14747 . . 201 43 43 LEU C C 177.712 . . 202 43 43 LEU CA C 55.238 . . 203 43 43 LEU CB C 42.4138 . . 204 43 43 LEU N N 122.434 . . 205 44 44 GLN H H 8.53967 . . 206 44 44 GLN C C 176.583 . . 207 44 44 GLN CA C 56.1257 . . 208 44 44 GLN CB C 29.6255 . . 209 44 44 GLN N N 122.281 . . 210 45 45 GLY H H 8.46534 . . 211 45 45 GLY C C 174.128 . . 212 45 45 GLY CA C 45.2982 . . 213 45 45 GLY N N 111.168 . . 214 46 46 THR H H 8.06736 . . 215 46 46 THR C C 174.455 . . 216 46 46 THR CA C 61.7773 . . 217 46 46 THR CB C 70.272 . . 218 46 46 THR N N 114.385 . . 219 47 47 TYR H H 8.35266 . . 220 47 47 TYR C C 175.562 . . 221 47 47 TYR CA C 58.1065 . . 222 47 47 TYR CB C 38.945 . . 223 47 47 TYR N N 123.803 . . 224 48 48 GLN H H 8.25337 . . 225 48 48 GLN C C 175.055 . . 226 48 48 GLN CA C 55.4909 . . 227 48 48 GLN CB C 30.053 . . 228 48 48 GLN N N 123.66 . . 229 49 49 ASP H H 8.39389 . . 230 49 49 ASP C C 176.559 . . 231 49 49 ASP CA C 54.2054 . . 232 49 49 ASP CB C 41.445 . . 233 49 49 ASP N N 123.519 . . 234 50 50 VAL H H 8.19469 . . 235 50 50 VAL C C 176.875 . . 236 50 50 VAL CA C 62.6259 . . 237 50 50 VAL CB C 32.4845 . . 238 50 50 VAL N N 121.239 . . 239 51 51 GLY H H 8.47985 . . 240 51 51 GLY C C 174.305 . . 241 51 51 GLY CA C 45.4125 . . 242 51 51 GLY N N 112.599 . . 243 52 52 SER H H 8.16282 . . 244 52 52 SER C C 174.628 . . 245 52 52 SER CA C 58.3982 . . 246 52 52 SER CB C 64.0146 . . 247 52 52 SER N N 116.449 . . 248 53 53 LEU H H 8.28118 . . 249 53 53 LEU C C 177.027 . . 250 53 53 LEU CA C 55.2583 . . 251 53 53 LEU CB C 42.6365 . . 252 53 53 LEU N N 124.718 . . 253 54 54 ASN H H 8.5506 . . 254 54 54 ASN C C 175.315 . . 255 54 54 ASN CA C 53.0974 . . 256 54 54 ASN CB C 38.8475 . . 257 54 54 ASN N N 121.264 . . 258 55 55 ILE H H 8.18466 . . 259 55 55 ILE C C 176.657 . . 260 55 55 ILE CA C 61.647 . . 261 55 55 ILE CB C 38.7672 . . 262 55 55 ILE N N 122.254 . . 263 56 56 GLY H H 8.41546 . . 264 56 56 GLY C C 173.805 . . 265 56 56 GLY CA C 45.1245 . . 266 56 56 GLY N N 113.025 . . 267 57 57 ASP H H 8.21904 . . 268 57 57 ASP C C 176.447 . . 269 57 57 ASP CA C 54.3796 . . 270 57 57 ASP CB C 41.4051 . . 271 57 57 ASP N N 121.692 . . 272 58 58 VAL H H 8.11586 . . 273 58 58 VAL C C 176.082 . . 274 58 58 VAL CA C 62.4318 . . 275 58 58 VAL CB C 32.9733 . . 276 58 58 VAL N N 121.361 . . 277 59 59 GLN H H 8.53493 . . 278 59 59 GLN C C 175.822 . . 279 59 59 GLN CA C 55.5954 . . 280 59 59 GLN CB C 29.4798 . . 281 59 59 GLN N N 125.458 . . 282 60 60 LEU H H 8.35539 . . 283 60 60 LEU C C 177.378 . . 284 60 60 LEU CA C 55.0817 . . 285 60 60 LEU CB C 42.6453 . . 286 60 60 LEU N N 125.414 . . 287 61 61 GLU H H 8.47982 . . 288 61 61 GLU C C 176.15 . . 289 61 61 GLU CA C 56.4789 . . 290 61 61 GLU CB C 30.4847 . . 291 61 61 GLU N N 123.11 . . 292 62 62 LYS H H 8.42695 . . 293 62 62 LYS N N 125.148 . . stop_ save_