data_18890 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; CD3g cytosolic domain ; _BMRB_accession_number 18890 _BMRB_flat_file_name bmr18890.str _Entry_type original _Submission_date 2012-12-11 _Accession_date 2012-12-11 _Entry_origination author _NMR_STAR_version 2.1.1 _Experimental_method NMR _Details 'CD3g cytosolic domain native state' loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Mayzel Maxim . . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 43 "13C chemical shifts" 136 "15N chemical shifts" 43 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2013-10-15 original author . stop_ loop_ _Related_BMRB_accession_number _Relationship 18889 'CD3e cytosolyc domain in disordered and disordered state' stop_ _Original_release_date 2013-10-15 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 Brutscher Bernhard . . 6 Karlsson Goran . . 7 Orekhov Vladislav . . stop_ _Journal_abbreviation '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 'CD3g cytosolic domain' _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label CD3g $CD3g stop_ _System_molecular_weight 5426.8739 _System_physical_state 'intrinsically disordered' _System_oligomer_state ? _System_paramagnetic no _System_thiol_state 'not present' _Database_query_date . _Details . save_ ######################## # Monomeric polymers # ######################## save_CD3g _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common CD3g _Molecular_mass 5426.8739 _Mol_thiol_state 'not present' loop_ _Biological_function 'The CD3 complex mediates signal transduction.' stop_ _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 46 _Mol_residue_sequence ; SLQDGVRQSRASDKQTLLPN DQLYQPLKDREDDQYSHLQG NQLRRN ; loop_ _Residue_seq_code _Residue_label 1 SER 2 LEU 3 GLN 4 ASP 5 GLY 6 VAL 7 ARG 8 GLN 9 SER 10 ARG 11 ALA 12 SER 13 ASP 14 LYS 15 GLN 16 THR 17 LEU 18 LEU 19 PRO 20 ASN 21 ASP 22 GLN 23 LEU 24 TYR 25 GLN 26 PRO 27 LEU 28 LYS 29 ASP 30 ARG 31 GLU 32 ASP 33 ASP 34 GLN 35 TYR 36 SER 37 HIS 38 LEU 39 GLN 40 GLY 41 ASN 42 GLN 43 LEU 44 ARG 45 ARG 46 ASN stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date 2015-06-02 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 DBJ BAB71848 "CD3 gamma [Macaca fascicularis]" 95.65 181 97.73 97.73 9.49e-21 DBJ BAD97034 "CD3G gamma precursor variant [Homo sapiens]" 95.65 182 100.00 100.00 2.56e-21 DBJ BAF98786 "unnamed protein product [Homo sapiens]" 95.65 122 100.00 100.00 1.33e-21 DBJ BAG36681 "unnamed protein product [Homo sapiens]" 95.65 182 100.00 100.00 2.21e-21 DBJ BAJ16153 "CD3g molecule, epsilon (CD3-TCR complex) [Homo sapiens]" 95.65 182 100.00 100.00 2.21e-21 EMBL CAA27764 "unnamed protein product [Homo sapiens]" 95.65 182 100.00 100.00 2.21e-21 EMBL CAA29428 "T-cell receptor T3 gamma chain [Homo sapiens]" 95.65 182 100.00 100.00 2.21e-21 GB AAI13831 "CD3G gamma, precursor [Homo sapiens]" 95.65 182 100.00 100.00 2.21e-21 GB ACA05963 "T-cell surface glycoprotein CD3 gamma chain precursor [Homo sapiens]" 95.65 182 100.00 100.00 2.21e-21 GB AIC48442 "CD3G, partial [synthetic construct]" 95.65 182 100.00 100.00 2.21e-21 GB EAW67368 "CD3g antigen, gamma polypeptide (TiT3 complex) [Homo sapiens]" 95.65 182 100.00 100.00 2.21e-21 GB EHH23478 "hypothetical protein EGK_06952 [Macaca mulatta]" 95.65 209 100.00 100.00 1.61e-21 REF NP_000064 "T-cell surface glycoprotein CD3 gamma chain precursor [Homo sapiens]" 95.65 182 100.00 100.00 2.21e-21 REF NP_001253854 "T-cell surface glycoprotein CD3 gamma chain precursor [Macaca mulatta]" 95.65 181 100.00 100.00 1.48e-21 REF NP_001270839 "T-cell surface glycoprotein CD3 gamma chain precursor [Macaca fascicularis]" 95.65 181 97.73 97.73 9.49e-21 REF XP_002754529 "PREDICTED: T-cell surface glycoprotein CD3 gamma chain [Callithrix jacchus]" 95.65 210 97.73 97.73 2.30e-20 REF XP_003253274 "PREDICTED: T-cell surface glycoprotein CD3 gamma chain isoform X2 [Nomascus leucogenys]" 95.65 210 97.73 100.00 4.73e-21 SP P09693 "RecName: Full=T-cell surface glycoprotein CD3 gamma chain; AltName: Full=T-cell receptor T3 gamma chain; AltName: CD_antigen=CD" 95.65 182 100.00 100.00 2.21e-21 SP Q95LI7 "RecName: Full=T-cell surface glycoprotein CD3 gamma chain; AltName: Full=T-cell receptor T3 gamma chain; AltName: CD_antigen=CD" 95.65 181 97.73 97.73 9.49e-21 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 _Details $CD3g Human 9606 Eukaryota Metazoa Homo sapiens T-Cells T-Cell 'cytosolic domain' 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 $CD3g 'recombinant technology' 'batch cell-free' Wheat "germ - cell freeE. coli - cell free" . pEXP5-NT 'E. coli S12 extract' stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_Native _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $CD3g 0.10 mM '[U-100% 13C; U-100% 15N]' DTT 2.00 mM 'natural abundance' EDTA 1.00 mM 'natural abundance' 'phosphate buffer' 20.00 mM 'natural abundance' azide 0.02 % 'natural abundance' 'Complete EDTA-Free' 1.00 x '[U-100% 15N]' 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 refinement 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 'Swedish NMR Center, University of Gothenburg' . 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 'Swedish NMR Center, University of Gothenburg' . . 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_600 _Saveframe_category NMR_spectrometer _Manufacturer Varian _Model UnityInova _Field_strength 600 _Details . save_ ############################# # NMR applied experiments # ############################# save_3D_HN(CA)CO_1 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HN(CA)CO' _Sample_label $Native save_ save_3D_HNCA_2 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCA' _Sample_label $Native save_ save_3D_HNCACB_3 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCACB' _Sample_label $Native save_ save_3D_HNCO_4 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCO' _Sample_label $Native save_ save_3D_HN(CO)CA_5 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HN(CO)CA' _Sample_label $Native save_ save_3D_HN(CO)CACB_6 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HN(CO)CACB' _Sample_label $Native save_ save_2D_1H-15N_HSQC/HMQC_7 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-15N HSQC/HMQC' _Sample_label $Native save_ save_NMR_spectrometer_expt _Saveframe_category NMR_applied_experiment _Experiment_name . _BMRB_pulse_sequence_accession_number . _Details . save_ ####################### # Sample conditions # ####################### save_1 _Saveframe_category sample_conditions _Details . loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units 'ionic strength' 0.020 . M pH 6.800 . pH pressure 1.000 . atm temperature 298.000 . 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 water C 13 protons ppm 4.755 internal indirect . . . 0.251449530 water H 1 protons ppm 4.755 internal direct . . . 1.0 water N 15 protons ppm 4.755 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_assigned_chem_shift_list _Saveframe_category assigned_chemical_shifts _Details . loop_ _Experiment_label '3D HN(CA)CO' '3D HNCA' '3D HNCACB' '3D HNCO' '3D HN(CO)CA' '3D HN(CO)CACB' '2D 1H-15N HSQC/HMQC' stop_ loop_ _Sample_label $Native stop_ _Sample_conditions_label $1 _Chem_shift_reference_set_label $chemical_shift_reference_1 _Mol_system_component_name CD3g _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 1 1 SER C C 171.300 . 1 2 1 1 SER CA C 57.300 . 1 3 1 1 SER CB C 63.300 . 1 4 2 2 LEU H H 8.666 . 1 5 2 2 LEU C C 177.600 . 1 6 2 2 LEU CA C 56.100 . 1 7 2 2 LEU CB C 42.200 . 1 8 2 2 LEU N N 123.438 0.0 1 9 3 3 GLN H H 8.336 . 1 10 3 3 GLN C C 175.900 . 1 11 3 3 GLN CA C 56.300 . 1 12 3 3 GLN CB C 29.100 . 1 13 3 3 GLN N N 120.905 0.0 1 14 4 4 ASP H H 8.027 . 1 15 4 4 ASP C C 176.800 . 1 16 4 4 ASP CA C 54.600 . 1 17 4 4 ASP CB C 41.000 . 1 18 4 4 ASP N N 121.588 0.0 1 19 5 5 GLY H H 8.159 . 1 20 5 5 GLY C C 174.300 . 1 21 5 5 GLY CA C 45.600 . 1 22 5 5 GLY N N 109.666 . 1 23 6 6 VAL H H 7.870 0.0 1 24 6 6 VAL C C 176.500 . 1 25 6 6 VAL CA C 62.700 . 1 26 6 6 VAL CB C 32.500 . 1 27 6 6 VAL N N 120.734 . 1 28 7 7 ARG H H 8.337 . 1 29 7 7 ARG C C 176.300 . 1 30 7 7 ARG CA C 56.200 . 1 31 7 7 ARG CB C 30.700 . 1 32 7 7 ARG N N 125.748 . 1 33 8 8 GLN H H 8.320 . 1 34 8 8 GLN C C 176.000 . 1 35 8 8 GLN CA C 55.900 . 1 36 8 8 GLN CB C 29.600 . 1 37 8 8 GLN N N 122.618 . 1 38 9 9 SER H H 8.312 . 1 39 9 9 SER C C 174.500 . 1 40 9 9 SER CA C 58.400 . 1 41 9 9 SER CB C 63.800 . 1 42 9 9 SER N N 118.404 . 1 43 10 10 ARG H H 8.320 . 1 44 10 10 ARG C C 176.200 . 1 45 10 10 ARG CA C 55.900 . 1 46 10 10 ARG CB C 31.000 . 1 47 10 10 ARG N N 123.722 . 1 48 11 11 ALA H H 8.309 0.0 1 49 11 11 ALA C C 178.000 . 1 50 11 11 ALA CA C 53.000 . 1 51 11 11 ALA CB C 19.200 . 1 52 11 11 ALA N N 126.262 0.0 1 53 12 12 SER H H 8.148 0.0 1 54 12 12 SER C C 174.500 . 1 55 12 12 SER CA C 58.400 . 1 56 12 12 SER CB C 63.700 . 1 57 12 12 SER N N 114.913 0.0 1 58 13 13 ASP H H 8.160 . 1 59 13 13 ASP C C 176.200 . 1 60 13 13 ASP CA C 54.400 . 1 61 13 13 ASP CB C 40.700 . 1 62 13 13 ASP N N 123.100 . 1 63 14 14 LYS H H 8.072 . 1 64 14 14 LYS C C 176.600 . 1 65 14 14 LYS CA C 56.400 . 1 66 14 14 LYS CB C 32.800 . 1 67 14 14 LYS N N 121.555 0.0 1 68 15 15 GLN H H 8.246 . 1 69 15 15 GLN C C 176.100 . 1 70 15 15 GLN CA C 56.100 . 1 71 15 15 GLN CB C 29.500 . 1 72 15 15 GLN N N 121.810 0.0 1 73 16 16 THR H H 8.090 . 1 74 16 16 THR C C 174.100 . 1 75 16 16 THR CA C 62.100 . 1 76 16 16 THR CB C 69.700 . 1 77 16 16 THR N N 116.929 . 1 78 17 17 LEU H H 8.135 . 1 79 17 17 LEU C C 176.800 . 1 80 17 17 LEU CA C 54.900 . 1 81 17 17 LEU CB C 42.400 . 1 82 17 17 LEU N N 125.840 . 1 83 18 18 LEU H H 8.214 0.0 1 84 18 18 LEU C C 176.700 . 1 85 18 18 LEU CA C 52.900 . 1 86 18 18 LEU CB C 41.700 . 1 87 18 18 LEU N N 125.460 0.0 1 88 19 19 PRO C C 176.900 . 1 89 19 19 PRO CA C 63.400 . 1 90 19 19 PRO CB C 32.000 . 1 91 20 20 ASN H H 8.328 . 1 92 20 20 ASN C C 175.300 . 1 93 20 20 ASN CA C 53.600 . 1 94 20 20 ASN CB C 38.600 . 1 95 20 20 ASN N N 118.657 0.0 1 96 21 21 ASP H H 8.162 0.0 1 97 21 21 ASP C C 176.300 . 1 98 21 21 ASP CA C 54.500 . 1 99 21 21 ASP CB C 40.600 . 1 100 21 21 ASP N N 120.743 . 1 101 22 22 GLN H H 8.105 . 1 102 22 22 GLN C C 175.900 . 1 103 22 22 GLN CA C 56.100 . 1 104 22 22 GLN CB C 29.300 . 1 105 22 22 GLN N N 120.540 . 1 106 23 23 LEU H H 7.956 0.0 1 107 23 23 LEU C C 177.000 . 1 108 23 23 LEU CA C 55.400 . 1 109 23 23 LEU CB C 42.300 . 1 110 23 23 LEU N N 122.445 . 1 111 24 24 TYR H H 7.961 . 1 112 24 24 TYR C C 175.200 . 1 113 24 24 TYR CA C 57.800 . 1 114 24 24 TYR CB C 38.600 . 1 115 24 24 TYR N N 121.464 . 1 116 25 25 GLN H H 7.954 0.0 1 117 25 25 GLN C C 175.200 . 1 118 25 25 GLN CA C 53.200 . 1 119 25 25 GLN CB C 29.400 . 1 120 25 25 GLN N N 124.755 . 1 121 26 26 PRO C C 176.900 . 1 122 26 26 PRO CA C 63.100 . 1 123 26 26 PRO CB C 32.100 . 1 124 27 27 LEU H H 8.181 . 1 125 27 27 LEU C C 177.600 . 1 126 27 27 LEU CA C 55.400 . 1 127 27 27 LEU CB C 42.200 . 1 128 27 27 LEU N N 122.552 0.0 1 129 28 28 LYS H H 8.112 . 1 130 28 28 LYS C C 176.300 . 1 131 28 28 LYS CA C 56.500 . 1 132 28 28 LYS CB C 33.100 . 1 133 28 28 LYS N N 122.447 . 1 134 29 29 ASP H H 8.201 . 1 135 29 29 ASP C C 175.900 . 1 136 29 29 ASP CA C 54.300 . 1 137 29 29 ASP CB C 40.500 . 1 138 29 29 ASP N N 121.402 . 1 139 30 30 ARG H H 8.077 . 1 140 30 30 ARG C C 176.400 . 1 141 30 30 ARG CA C 56.300 . 1 142 30 30 ARG CB C 30.800 . 1 143 30 30 ARG N N 121.329 . 1 144 31 31 GLU H H 8.348 . 1 145 31 31 GLU C C 176.200 . 1 146 31 31 GLU CA C 56.400 . 1 147 31 31 GLU CB C 29.500 . 1 148 31 31 GLU N N 122.089 0.0 1 149 32 32 ASP H H 8.262 . 1 150 32 32 ASP C C 176.200 . 1 151 32 32 ASP CA C 54.200 . 1 152 32 32 ASP CB C 40.700 . 1 153 32 32 ASP N N 121.415 . 1 154 33 33 ASP H H 8.173 . 1 155 33 33 ASP C C 176.800 . 1 156 33 33 ASP CA C 54.400 . 1 157 33 33 ASP CB C 40.700 . 1 158 33 33 ASP N N 121.530 . 1 159 34 34 GLN H H 8.265 . 1 160 34 34 GLN C C 176.400 . 1 161 34 34 GLN CA C 57.100 . 1 162 34 34 GLN CB C 28.800 . 1 163 34 34 GLN N N 120.670 0.0 1 164 35 35 TYR H H 7.980 0.0 1 165 35 35 TYR C C 176.300 . 1 166 35 35 TYR CA C 58.400 . 1 167 35 35 TYR CB C 38.400 . 1 168 35 35 TYR N N 119.993 . 1 169 36 36 SER H H 7.937 . 1 170 36 36 SER C C 174.800 . 1 171 36 36 SER CA C 59.100 . 1 172 36 36 SER CB C 63.500 . 1 173 36 36 SER N N 116.346 . 1 174 37 37 HIS H H 8.248 . 1 175 37 37 HIS C C 174.500 . 1 176 37 37 HIS CA C 55.500 . 1 177 37 37 HIS CB C 28.600 . 1 178 37 37 HIS N N 120.403 . 1 179 38 38 LEU H H 7.992 . 1 180 38 38 LEU C C 177.400 . 1 181 38 38 LEU CA C 55.500 . 1 182 38 38 LEU CB C 42.300 . 1 183 38 38 LEU N N 122.868 0.0 1 184 39 39 GLN H H 8.263 . 1 185 39 39 GLN C C 176.600 . 1 186 39 39 GLN CA C 56.000 . 1 187 39 39 GLN CB C 29.400 . 1 188 39 39 GLN N N 121.234 0.0 1 189 40 40 GLY H H 8.306 . 1 190 40 40 GLY C C 174.200 . 1 191 40 40 GLY CA C 45.600 . 1 192 40 40 GLY N N 110.416 0.0 1 193 41 41 ASN H H 8.246 0.0 1 194 41 41 ASN C C 175.400 . 1 195 41 41 ASN CA C 53.400 . 1 196 41 41 ASN CB C 38.700 . 1 197 41 41 ASN N N 119.480 0.0 1 198 42 42 GLN H H 8.250 0.0 1 199 42 42 GLN C C 175.800 . 1 200 42 42 GLN CA C 56.000 . 1 201 42 42 GLN CB C 29.300 . 1 202 42 42 GLN N N 120.896 . 1 203 43 43 LEU H H 8.058 . 1 204 43 43 LEU C C 177.000 . 1 205 43 43 LEU CA C 55.300 . 1 206 43 43 LEU CB C 42.300 . 1 207 43 43 LEU N N 123.400 0.0 1 208 44 44 ARG H H 8.142 . 1 209 44 44 ARG C C 175.900 . 1 210 44 44 ARG CA C 55.900 . 1 211 44 44 ARG CB C 30.800 . 1 212 44 44 ARG N N 122.910 0.0 1 213 45 45 ARG H H 8.324 . 1 214 45 45 ARG C C 175.100 . 1 215 45 45 ARG CA C 55.900 . 1 216 45 45 ARG CB C 31.000 . 1 217 45 45 ARG N N 124.048 . 1 218 46 46 ASN H H 7.971 . 1 219 46 46 ASN C C 175.200 . 1 220 46 46 ASN CA C 54.700 . 1 221 46 46 ASN CB C 40.200 . 1 222 46 46 ASN N N 125.842 . 1 stop_ save_