data_19644 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; CD79a cytosolic domain native ; _BMRB_accession_number 19644 _BMRB_flat_file_name bmr19644.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" 59 "13C chemical shifts" 170 "15N chemical shifts" 59 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2014-02-11 original author . stop_ loop_ _Related_BMRB_accession_number _Relationship 19645 'CD79b cytosolic domain denatured' 19648 'CD79b cytosolic domain' 19649 'CD79a cytosolic domain phosphorylated (denatured)' 19650 'CD79a cytosolic domain phosphorylated' 19651 'CD79a cytosolic domain (denatured)' 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' _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label CD79a_cyt $CD79a_cyt stop_ _System_molecular_weight 7188.7093 _System_physical_state native _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 reduced _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 61 _Mol_residue_sequence ; LRKRWQNEKLGLDAGDEYED ENLYEGLNLDDCSMYEDISR GLQGTYQDVGSLNIGDVQLE K ; loop_ _Residue_seq_code _Residue_label 1 LEU 2 ARG 3 LYS 4 ARG 5 TRP 6 GLN 7 ASN 8 GLU 9 LYS 10 LEU 11 GLY 12 LEU 13 ASP 14 ALA 15 GLY 16 ASP 17 GLU 18 TYR 19 GLU 20 ASP 21 GLU 22 ASN 23 LEU 24 TYR 25 GLU 26 GLY 27 LEU 28 ASN 29 LEU 30 ASP 31 ASP 32 CYS 33 SER 34 MET 35 TYR 36 GLU 37 ASP 38 ILE 39 SER 40 ARG 41 GLY 42 LEU 43 GLN 44 GLY 45 THR 46 TYR 47 GLN 48 ASP 49 VAL 50 GLY 51 SER 52 LEU 53 ASN 54 ILE 55 GLY 56 ASP 57 VAL 58 GLN 59 LEU 60 GLU 61 LYS 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 5.64e-34 BMRB 19645 CD79a_cyt 100.00 63 100.00 100.00 5.64e-34 BMRB 19648 CD79a_cyt_phosp 100.00 63 100.00 100.00 5.64e-34 BMRB 19649 CD79a_cyt_phosph_assigned_chem_shift_list 100.00 63 100.00 100.00 5.64e-34 BMRB 19723 cytoplasmic_Ig-alpha_polypeptide 98.36 99 100.00 100.00 1.33e-33 BMRB 19724 cytoplasmic_Ig-alpha_polypeptide 98.36 99 100.00 100.00 1.33e-33 DBJ BAG37737 "unnamed protein product [Homo sapiens]" 100.00 226 98.36 98.36 5.01e-33 EMBL CAA31802 "pot. h-MB-1 protein (54 AA) [Homo sapiens]" 54.10 54 96.97 96.97 1.43e-12 EMBL CAA58523 "Ig-alpha, variant [Homo sapiens]" 100.00 188 98.36 98.36 1.14e-33 GB AAA20495 "MB-1 [Homo sapiens]" 100.00 226 98.36 98.36 5.01e-33 GB AAA57274 "immunoglobulin-associated signalling molecule [Homo sapiens]" 100.00 226 98.36 98.36 5.01e-33 GB AAA59556 "extracellular domain [Homo sapiens]" 100.00 226 98.36 98.36 5.01e-33 GB AAA59557 "signal transduction via sig in B lymphocytes; putative [Homo sapiens]" 100.00 226 98.36 98.36 5.01e-33 GB AAA60270 "B-cell antigen receptor alpha subunit [Homo sapiens]" 100.00 226 98.36 98.36 5.01e-33 REF NP_001774 "B-cell antigen receptor complex-associated protein alpha chain isoform 1 precursor [Homo sapiens]" 100.00 226 98.36 98.36 5.01e-33 REF NP_067612 "B-cell antigen receptor complex-associated protein alpha chain isoform 2 precursor [Homo sapiens]" 100.00 188 98.36 98.36 1.14e-33 REF XP_001152742 "PREDICTED: B-cell antigen receptor complex-associated protein alpha chain [Pan troglodytes]" 100.00 226 98.36 98.36 3.84e-33 REF XP_002829327 "PREDICTED: B-cell antigen receptor complex-associated protein alpha chain isoform X1 [Pongo abelii]" 100.00 227 98.36 98.36 3.64e-33 REF XP_003779238 "PREDICTED: B-cell antigen receptor complex-associated protein alpha chain isoform X2 [Pongo abelii]" 100.00 189 98.36 98.36 2.90e-36 SP P11912 "RecName: Full=B-cell antigen receptor complex-associated protein alpha chain; AltName: Full=Ig-alpha; AltName: Full=MB-1 membra" 100.00 226 98.36 98.36 5.01e-33 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_sample_1 _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)' loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $CD79a_cyt 200-300 uM '[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' 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) 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 $sample_1 save_ save_3D_HN(ca)CO_2 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HN(ca)CO' _Sample_label $sample_1 save_ save_3D_HNCA_3 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCA' _Sample_label $sample_1 save_ save_3D_HNCACB_4 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCACB' _Sample_label $sample_1 save_ save_3D_HNCO_5 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCO' _Sample_label $sample_1 save_ save_3D_HN(CO)CA_6 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HN(CO)CA' _Sample_label $sample_1 save_ save_3D_HN(COCA)CB_7 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HN(COCA)CB' _Sample_label $sample_1 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 0.05 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 . . . 1.0 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_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 $sample_1 stop_ _Sample_conditions_label $sample_conditions_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 1 LEU C C 177.202 . . 2 2 1 LEU CA C 55.4056 . . 3 2 1 LEU CB C 42.4992 . . 4 3 2 ARG H H 8.44162 . . 5 3 2 ARG C C 176.144 . . 6 3 2 ARG CA C 56.0734 . . 7 3 2 ARG CB C 31.047 . . 8 3 2 ARG N N 123.126 . . 9 4 3 LYS H H 8.3404 . . 10 4 3 LYS C C 176.672 . . 11 4 3 LYS CA C 56.2921 . . 12 4 3 LYS CB C 32.9889 . . 13 4 3 LYS N N 123.823 . . 14 5 4 ARG H H 8.3947 . . 15 5 4 ARG N N 123.21 . . 16 6 5 TRP C C 176.424 . . 17 6 5 TRP CA C 57.3848 . . 18 6 5 TRP CB C 29.5604 . . 19 7 6 GLN H H 8.16638 . . 20 7 6 GLN C C 175.742 . . 21 7 6 GLN CA C 56.5057 . . 22 7 6 GLN CB C 29.3984 . . 23 7 6 GLN N N 122.105 . . 24 8 7 ASN H H 8.21553 . . 25 8 7 ASN C C 175.542 . . 26 8 7 ASN CA C 53.6875 . . 27 8 7 ASN CB C 38.8042 . . 28 8 7 ASN N N 119.434 . . 29 9 8 GLU H H 8.41856 . . 30 9 8 GLU C C 176.807 . . 31 9 8 GLU CA C 57.4413 . . 32 9 8 GLU CB C 30.0509 . . 33 9 8 GLU N N 121.957 . . 34 10 9 LYS H H 8.21675 . . 35 10 9 LYS C C 176.691 . . 36 10 9 LYS CA C 56.5919 . . 37 10 9 LYS CB C 32.5738 . . 38 10 9 LYS N N 121.844 . . 39 11 10 LEU H H 8.04453 . . 40 11 10 LEU C C 177.825 . . 41 11 10 LEU CA C 55.2192 . . 42 11 10 LEU CB C 42.5335 . . 43 11 10 LEU N N 122.567 . . 44 12 11 GLY H H 8.26158 . . 45 12 11 GLY C C 174.312 . . 46 12 11 GLY CA C 45.4192 . . 47 12 11 GLY N N 110.053 . . 48 13 12 LEU H H 8.07564 . . 49 13 12 LEU C C 177.296 . . 50 13 12 LEU CA C 55.2447 . . 51 13 12 LEU CB C 42.4091 . . 52 13 12 LEU N N 122.069 . . 53 14 13 ASP H H 8.41467 . . 54 14 13 ASP C C 176.005 . . 55 14 13 ASP CA C 54.2545 . . 56 14 13 ASP CB C 41.336 . . 57 14 13 ASP N N 121.664 . . 58 15 14 ALA H H 8.19135 . . 59 15 14 ALA C C 178.259 . . 60 15 14 ALA CA C 52.8766 . . 61 15 14 ALA CB C 19.3741 . . 62 15 14 ALA N N 125.047 . . 63 16 15 GLY H H 8.38537 . . 64 16 15 GLY C C 174.072 . . 65 16 15 GLY CA C 45.2846 . . 66 16 15 GLY N N 108.762 . . 67 17 16 ASP H H 8.17531 . . 68 17 16 ASP C C 176.288 . . 69 17 16 ASP CA C 54.4058 . . 70 17 16 ASP CB C 41.4514 . . 71 17 16 ASP N N 121.103 . . 72 18 17 GLU H H 8.3939 . . 73 18 17 GLU C C 176.058 . . 74 18 17 GLU CA C 56.6568 . . 75 18 17 GLU CB C 30.4017 . . 76 18 17 GLU N N 121.263 . . 77 19 18 TYR H H 8.19135 . . 78 19 18 TYR C C 175.643 . . 79 19 18 TYR CA C 57.7951 . . 80 19 18 TYR CB C 39.1512 . . 81 19 18 TYR N N 121.51 . . 82 20 19 GLU H H 8.22961 . . 83 20 19 GLU C C 175.712 . . 84 20 19 GLU CA C 56.2199 . . 85 20 19 GLU CB C 30.8472 . . 86 20 19 GLU N N 123.524 . . 87 21 20 ASP H H 8.31016 . . 88 21 20 ASP C C 176.538 . . 89 21 20 ASP CA C 54.3884 . . 90 21 20 ASP CB C 41.4393 . . 91 21 20 ASP N N 122.692 . . 92 22 21 GLU H H 8.50953 . . 93 22 21 GLU C C 176.527 . . 94 22 21 GLU CA C 57.1914 . . 95 22 21 GLU CB C 30.2102 . . 96 22 21 GLU N N 123.092 . . 97 23 22 ASN H H 8.524 . . 98 23 22 ASN C C 175.331 . . 99 23 22 ASN CA C 53.5272 . . 100 23 22 ASN CB C 38.779 . . 101 23 22 ASN N N 119.92 . . 102 24 23 LEU H H 7.99065 . . 103 24 23 LEU C C 177.203 . . 104 24 23 LEU CA C 55.5577 . . 105 24 23 LEU CB C 42.2071 . . 106 24 23 LEU N N 122.665 . . 107 25 24 TYR H H 8.04912 . . 108 25 24 TYR C C 175.966 . . 109 25 24 TYR CA C 57.7508 . . 110 25 24 TYR CB C 38.5613 . . 111 25 24 TYR N N 120.358 . . 112 26 25 GLU H H 8.16132 . . 113 26 25 GLU C C 176.827 . . 114 26 25 GLU CA C 56.8864 . . 115 26 25 GLU CB C 30.182 . . 116 26 25 GLU N N 123.345 . . 117 27 26 GLY H H 8.07034 . . 118 27 26 GLY C C 173.957 . . 119 27 26 GLY CA C 45.3647 . . 120 27 26 GLY N N 110.335 . . 121 28 27 LEU H H 7.94574 . . 122 28 27 LEU C C 176.925 . . 123 28 27 LEU CA C 55.0708 . . 124 28 27 LEU CB C 42.7054 . . 125 28 27 LEU N N 121.741 . . 126 29 28 ASN H H 8.53813 . . 127 29 28 ASN C C 175.319 . . 128 29 28 ASN CA C 53.0634 . . 129 29 28 ASN CB C 38.6264 . . 130 29 28 ASN N N 120.586 . . 131 30 29 LEU H H 8.31475 . . 132 30 29 LEU C C 177.477 . . 133 30 29 LEU CA C 55.4867 . . 134 30 29 LEU CB C 42.1247 . . 135 30 29 LEU N N 123.859 . . 136 31 30 ASP H H 8.27495 . . 137 31 30 ASP C C 176.205 . . 138 31 30 ASP CA C 54.7432 . . 139 31 30 ASP CB C 41.1284 . . 140 31 30 ASP N N 120.926 . . 141 32 31 ASP H H 8.11874 . . 142 32 31 ASP C C 176.644 . . 143 32 31 ASP CA C 54.483 . . 144 32 31 ASP CB C 41.151 . . 145 32 31 ASP N N 121.104 . . 146 33 32 CYS H H 8.33711 . . 147 33 32 CYS C C 175.335 . . 148 33 32 CYS CA C 59.2254 . . 149 33 32 CYS CB C 28.045 . . 150 33 32 CYS N N 120.544 . . 151 34 33 SER H H 8.41953 . . 152 34 33 SER C C 174.927 . . 153 34 33 SER CA C 59.5557 . . 154 34 33 SER CB C 63.5135 . . 155 34 33 SER N N 118.955 . . 156 35 34 MET H H 8.1814 . . 157 35 34 MET C C 176.071 . . 158 35 34 MET CA C 56.0894 . . 159 35 34 MET CB C 32.4001 . . 160 35 34 MET N N 122.041 . . 161 36 35 TYR H H 7.94973 . . 162 36 35 TYR C C 175.964 . . 163 36 35 TYR CA C 58.0498 . . 164 36 35 TYR CB C 38.7248 . . 165 36 35 TYR N N 120.9 . . 166 37 36 GLU H H 8.15165 . . 167 37 36 GLU C C 176.046 . . 168 37 36 GLU CA C 56.7764 . . 169 37 36 GLU CB C 30.6847 . . 170 37 36 GLU N N 122.765 . . 171 38 37 ASP H H 8.31534 . . 172 38 37 ASP C C 177.136 . . 173 38 37 ASP CA C 54.4697 . . 174 38 37 ASP CB C 41.0617 . . 175 38 37 ASP N N 122.176 . . 176 39 38 ILE H H 8.12394 . . 177 39 38 ILE C C 177.149 . . 178 39 38 ILE CA C 62.1252 . . 179 39 38 ILE CB C 38.5208 . . 180 39 38 ILE N N 122.159 . . 181 40 39 SER H H 8.35497 . . 182 40 39 SER C C 175.303 . . 183 40 39 SER CA C 59.5312 . . 184 40 39 SER CB C 63.4157 . . 185 40 39 SER N N 119.148 . . 186 41 40 ARG H H 8.07456 . . 187 41 40 ARG C C 177.093 . . 188 41 40 ARG CA C 56.6938 . . 189 41 40 ARG CB C 30.5431 . . 190 41 40 ARG N N 122.997 . . 191 42 41 GLY H H 8.16898 . . 192 42 41 GLY C C 174.436 . . 193 42 41 GLY CA C 45.4192 . . 194 42 41 GLY N N 109.359 . . 195 43 42 LEU H H 8.06499 . . 196 43 42 LEU C C 177.811 . . 197 43 42 LEU CA C 55.2414 . . 198 43 42 LEU CB C 42.245 . . 199 43 42 LEU N N 122.064 . . 200 44 43 GLN H H 8.39943 . . 201 44 43 GLN C C 176.605 . . 202 44 43 GLN CA C 56.1796 . . 203 44 43 GLN CB C 29.321 . . 204 44 43 GLN N N 121.428 . . 205 45 44 GLY H H 8.39174 . . 206 45 44 GLY C C 174.246 . . 207 45 44 GLY CA C 45.42 . . 208 45 44 GLY N N 110.613 . . 209 46 45 THR H H 7.98442 . . 210 46 45 THR C C 174.442 . . 211 46 45 THR CA C 61.8921 . . 212 46 45 THR CB C 69.9897 . . 213 46 45 THR N N 114.194 . . 214 47 46 TYR H H 8.26009 . . 215 47 46 TYR C C 175.533 . . 216 47 46 TYR CA C 58.1342 . . 217 47 46 TYR CB C 38.7405 . . 218 47 46 TYR N N 123.395 . . 219 48 47 GLN H H 8.1158 . . 220 48 47 GLN C C 174.958 . . 221 48 47 GLN CA C 55.4763 . . 222 48 47 GLN CB C 29.9421 . . 223 48 47 GLN N N 123.178 . . 224 49 48 ASP H H 8.31529 . . 225 49 48 ASP C C 176.65 . . 226 49 48 ASP CA C 54.1721 . . 227 49 48 ASP CB C 41.2388 . . 228 49 48 ASP N N 123.016 . . 229 50 49 VAL H H 8.18335 . . 230 50 49 VAL C C 177.092 . . 231 50 49 VAL CA C 62.8287 . . 232 50 49 VAL CB C 32.2621 . . 233 50 49 VAL N N 121.374 . . 234 51 50 GLY H H 8.50282 . . 235 51 50 GLY C C 174.496 . . 236 51 50 GLY CA C 45.5241 . . 237 51 50 GLY N N 112.49 . . 238 52 51 SER H H 8.09732 . . 239 52 51 SER C C 174.604 . . 240 52 51 SER CA C 58.4286 . . 241 52 51 SER CB C 63.8443 . . 242 52 51 SER N N 116.258 . . 243 53 52 LEU H H 8.16728 . . 244 53 52 LEU C C 177.064 . . 245 53 52 LEU CA C 55.3252 . . 246 53 52 LEU CB C 42.4188 . . 247 53 52 LEU N N 124.19 . . 248 54 53 ASN H H 8.44669 . . 249 54 53 ASN C C 175.286 . . 250 54 53 ASN CA C 53.0888 . . 251 54 53 ASN CB C 38.7797 . . 252 54 53 ASN N N 120.605 . . 253 55 54 ILE H H 8.12865 . . 254 55 54 ILE C C 176.823 . . 255 55 54 ILE CA C 61.67 . . 256 55 54 ILE CB C 38.5803 . . 257 55 54 ILE N N 121.917 . . 258 56 55 GLY H H 8.43546 . . 259 56 55 GLY C C 173.904 . . 260 56 55 GLY CA C 45.1851 . . 261 56 55 GLY N N 113.011 . . 262 57 56 ASP H H 8.15994 . . 263 57 56 ASP C C 176.464 . . 264 57 56 ASP CA C 54.3931 . . 265 57 56 ASP CB C 41.1912 . . 266 57 56 ASP N N 121.51 . . 267 58 57 VAL H H 8.05652 . . 268 58 57 VAL C C 176.157 . . 269 58 57 VAL CA C 62.4849 . . 270 58 57 VAL CB C 32.7981 . . 271 58 57 VAL N N 121.407 . . 272 59 58 GLN H H 8.49507 . . 273 59 58 GLN C C 175.78 . . 274 59 58 GLN CA C 55.5503 . . 275 59 58 GLN CB C 29.4002 . . 276 59 58 GLN N N 125.193 . . 277 60 59 LEU H H 8.28166 . . 278 60 59 LEU C C 177.33 . . 279 60 59 LEU CA C 55.1111 . . 280 60 59 LEU CB C 42.5675 . . 281 60 59 LEU N N 124.984 . . 282 61 60 GLU H H 8.35544 . . 283 61 60 GLU C C 176.005 . . 284 61 60 GLU CA C 56.3822 . . 285 61 60 GLU CB C 30.3595 . . 286 61 60 GLU N N 122.699 . . 287 62 61 LYS H H 8.34205 . . 288 62 61 LYS N N 125.192 . . stop_ save_