data_18748 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Backbone chemical shift assignments of the C-terminal SH3 domain of Grb2 ; _BMRB_accession_number 18748 _BMRB_flat_file_name bmr18748.str _Entry_type original _Submission_date 2012-10-01 _Accession_date 2012-10-01 _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 Ghosh Ragini . . 2 Ladbury John . . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 50 "13C chemical shifts" 158 "15N chemical shifts" 50 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2012-11-02 original author . stop_ loop_ _Related_BMRB_accession_number _Relationship 5693 'Backbone chemical shift assignments of full-length protein complexed with ligand peptides' stop_ _Original_release_date 2012-11-02 save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full . _Citation_title 'Inhibition of Basal FGF Receptor Signaling by Dimeric Grb2' _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 22726438 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Ghosh Ragini . . 2 Ladbury John . . stop_ _Journal_abbreviation Cell _Journal_volume 149 _Journal_issue . _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 1514 _Page_last 1524 _Year 2012 _Details . save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name 'Grb2 C-terminal SH3 domain' _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label 'Grb2 C-terminal SH3 domain' $Grb2_C-terminal_SH3_domain stop_ _System_molecular_weight 8599 _System_physical_state native _System_oligomer_state ? _System_paramagnetic no _System_thiol_state . _Database_query_date . _Details . save_ ######################## # Monomeric polymers # ######################## save_Grb2_C-terminal_SH3_domain _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common Grb2_C-terminal_SH3_domain _Molecular_mass 8599 _Mol_thiol_state 'all free' loop_ _Biological_function Signalling stop_ _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 74 _Mol_residue_sequence ; MRGSHHHHHHGSQQPTYVQA LFDFDPQEDGELGFRRGDFI HVMDNSDPNWWKGACHGQTG MFPRNYVTPVNRNV ; loop_ _Residue_seq_code _Residue_label 1 MET 2 ARG 3 GLY 4 SER 5 HIS 6 HIS 7 HIS 8 HIS 9 HIS 10 HIS 11 GLY 12 SER 13 GLN 14 GLN 15 PRO 16 THR 17 TYR 18 VAL 19 GLN 20 ALA 21 LEU 22 PHE 23 ASP 24 PHE 25 ASP 26 PRO 27 GLN 28 GLU 29 ASP 30 GLY 31 GLU 32 LEU 33 GLY 34 PHE 35 ARG 36 ARG 37 GLY 38 ASP 39 PHE 40 ILE 41 HIS 42 VAL 43 MET 44 ASP 45 ASN 46 SER 47 ASP 48 PRO 49 ASN 50 TRP 51 TRP 52 LYS 53 GLY 54 ALA 55 CYS 56 HIS 57 GLY 58 GLN 59 THR 60 GLY 61 MET 62 PHE 63 PRO 64 ARG 65 ASN 66 TYR 67 VAL 68 THR 69 PRO 70 VAL 71 ASN 72 ARG 73 ASN 74 VAL stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date 2015-08-12 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 PDB 1GCQ "Crystal Structure Of Vav And Grb2 Sh3 Domains" 79.73 61 100.00 100.00 2.70e-36 PDB 1GFC "Solution Structure And Ligand-Binding Site Of The C- Terminal Sh3 Domain Of Grb2" 77.03 59 100.00 100.00 8.30e-35 PDB 1GFD "Solution Structure And Ligand-Binding Site Of The C- Terminal Sh3 Domain Of Grb2" 77.03 59 100.00 100.00 8.30e-35 PDB 1IO6 "Growth Factor Receptor-Bound Protein 2 (Grb2) C-Terminal Sh3 Domain Complexed With A Ligand Peptide (Nmr, Minimized Mean Struct" 77.03 59 100.00 100.00 8.30e-35 PDB 2VVK "Grb2 Sh3c (1)" 72.97 56 100.00 100.00 3.27e-32 PDB 2VWF "Grb2 Sh3c (2)" 77.03 58 98.25 98.25 6.96e-34 PDB 2W0Z "Grb2 Sh3c (3)" 77.03 58 98.25 98.25 6.96e-34 EMBL CAA44664 "ash protein [Homo sapiens]" 83.78 160 100.00 100.00 1.69e-38 GB ELK30972 "Growth factor receptor-bound protein 2 [Myotis davidii]" 83.78 273 100.00 100.00 1.21e-37 GB ELW68317 "Growth factor receptor-bound protein 2 [Tupaia chinensis]" 83.78 210 100.00 100.00 9.60e-38 GB ERE69131 "growth factor receptor-bound protein 2 [Cricetulus griseus]" 83.78 253 100.00 100.00 5.51e-38 REF XP_006728173 "PREDICTED: growth factor receptor-bound protein 2 [Leptonychotes weddellii]" 83.78 284 100.00 100.00 3.95e-38 REF XP_006940642 "PREDICTED: growth factor receptor-bound protein 2 isoform X2 [Felis catus]" 83.78 192 100.00 100.00 3.91e-38 REF XP_008766679 "PREDICTED: uncharacterized protein LOC103690155 [Rattus norvegicus]" 83.78 243 100.00 100.00 6.75e-38 REF XP_010340838 "PREDICTED: growth factor receptor-bound protein 2 [Saimiri boliviensis boliviensis]" 83.78 186 100.00 100.00 1.47e-38 REF XP_010629093 "PREDICTED: growth factor receptor-bound protein 2 isoform X2 [Fukomys damarensis]" 83.78 217 100.00 100.00 4.85e-38 stop_ save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species $Grb2_C-terminal_SH3_domain Human 9606 Eukaryota Metazoa Homo sapiens stop_ save_ ######################### # Experimental source # ######################### save_experimental_source _Saveframe_category experimental_source loop_ _Mol_label _Production_method _Host_organism_name_common _Genus _Species _Strain _Variant _Vector_name $Grb2_C-terminal_SH3_domain 'recombinant technology' . Escherichia coli BL21 DE3 pQE30 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $Grb2_C-terminal_SH3_domain 0.3 mM '[U-100% 13C; U-100% 15N]' 'sodium phosphate' 25 mM 'natural abundance' 'sodium chloride' 140 mM 'natural abundance' DTT 2 mM 'natural abundance' H2O 90 % 'natural abundance' D2O 10 % 'natural abundance' stop_ save_ save_sample_2 _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $Grb2_C-terminal_SH3_domain 0.3 mM '[U-100% 15N]' 'sodium phosphate' 25 mM 'natural abundance' 'sodium chloride' 140 mM 'natural abundance' DTT 2 mM 'natural abundance' H2O 90 % 'natural abundance' D2O 10 % 'natural abundance' stop_ save_ ############################ # Computer software used # ############################ save_TOPSPIN _Saveframe_category software _Name TOPSPIN _Version . loop_ _Vendor _Address _Electronic_address 'Bruker Biospin' . . stop_ loop_ _Task collection stop_ _Details . save_ save_NMRPipe _Saveframe_category software _Name NMRPipe _Version . loop_ _Vendor _Address _Electronic_address 'Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax' . . stop_ loop_ _Task processing stop_ _Details . save_ save_CcpNmr_Analysis _Saveframe_category software _Name ANALYSIS _Version . loop_ _Vendor _Address _Electronic_address CCPN . . stop_ loop_ _Task 'chemical shift assignment' 'peak picking' stop_ _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model Avance _Field_strength 700 _Details . save_ save_spectrometer_2 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model Avance _Field_strength 500 _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_2D_1H-15N_HSQC_2 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-15N HSQC' _Sample_label $sample_2 save_ save_3D_HNCO_3 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCO' _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_CBCA(CO)NH_5 _Saveframe_category NMR_applied_experiment _Experiment_name '3D CBCA(CO)NH' _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 'ionic strength' 0.215 . M pH 7.5 . pH pressure 1 . atm temperature 298 . 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 4.773 internal indirect . . . 0.25144953 water H 1 protons ppm 4.773 internal direct . . . 1.00000000 water N 15 protons ppm 4.773 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_1 _Saveframe_category assigned_chemical_shifts _Details . loop_ _Experiment_label '2D 1H-15N HSQC' '3D HNCO' '3D HNCACB' '3D CBCA(CO)NH' stop_ loop_ _Sample_label $sample_1 $sample_2 stop_ _Sample_conditions_label $sample_conditions_1 _Chem_shift_reference_set_label $chemical_shift_reference_1 _Mol_system_component_name 'Grb2 C-terminal SH3 domain' _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 15 15 PRO C C 176.028 0.000 1 2 15 15 PRO CA C 63.020 0.017 1 3 15 15 PRO CB C 32.059 0.019 1 4 16 16 THR H H 8.557 0.005 1 5 16 16 THR C C 173.215 0.000 1 6 16 16 THR CA C 62.328 0.042 1 7 16 16 THR CB C 70.135 0.022 1 8 16 16 THR N N 116.656 0.025 1 9 17 17 TYR H H 8.742 0.003 1 10 17 17 TYR C C 175.708 0.000 1 11 17 17 TYR CA C 57.120 0.001 1 12 17 17 TYR CB C 42.159 0.009 1 13 17 17 TYR N N 123.522 0.037 1 14 18 18 VAL H H 8.826 0.002 1 15 18 18 VAL C C 173.177 0.000 1 16 18 18 VAL CA C 58.510 0.034 1 17 18 18 VAL CB C 35.713 0.031 1 18 18 18 VAL N N 112.759 0.014 1 19 19 19 GLN H H 9.143 0.001 1 20 19 19 GLN C C 175.403 0.000 1 21 19 19 GLN CA C 53.074 0.000 1 22 19 19 GLN CB C 31.793 0.003 1 23 19 19 GLN N N 120.901 0.029 1 24 20 20 ALA H H 8.686 0.002 1 25 20 20 ALA C C 179.154 0.000 1 26 20 20 ALA CA C 52.811 0.037 1 27 20 20 ALA CB C 21.179 0.010 1 28 20 20 ALA N N 127.228 0.024 1 29 21 21 LEU H H 9.510 0.002 1 30 21 21 LEU C C 175.164 0.000 1 31 21 21 LEU CA C 55.433 0.001 1 32 21 21 LEU CB C 43.592 0.001 1 33 21 21 LEU N N 126.276 0.024 1 34 22 22 PHE H H 7.139 0.002 1 35 22 22 PHE C C 173.614 0.000 1 36 22 22 PHE CA C 54.161 0.005 1 37 22 22 PHE CB C 43.647 0.000 1 38 22 22 PHE N N 113.056 0.027 1 39 23 23 ASP H H 8.448 0.003 1 40 23 23 ASP C C 175.517 0.000 1 41 23 23 ASP CA C 54.906 0.014 1 42 23 23 ASP CB C 41.549 0.002 1 43 23 23 ASP N N 118.118 0.015 1 44 24 24 PHE H H 8.451 0.002 1 45 24 24 PHE C C 172.830 0.000 1 46 24 24 PHE CA C 57.114 0.006 1 47 24 24 PHE CB C 42.344 0.002 1 48 24 24 PHE N N 122.206 0.020 1 49 25 25 ASP H H 7.837 0.002 1 50 25 25 ASP CA C 50.139 0.000 1 51 25 25 ASP CB C 41.525 0.000 1 52 25 25 ASP N N 128.331 0.024 1 53 26 26 PRO C C 176.951 0.000 1 54 26 26 PRO CA C 62.791 0.000 1 55 26 26 PRO CB C 33.326 0.002 1 56 27 27 GLN H H 9.196 0.005 1 57 27 27 GLN C C 175.573 0.000 1 58 27 27 GLN CA C 55.727 0.039 1 59 27 27 GLN CB C 31.108 0.015 1 60 27 27 GLN N N 120.786 0.030 1 61 28 28 GLU H H 7.591 0.002 1 62 28 28 GLU C C 176.302 0.000 1 63 28 28 GLU CA C 54.013 0.000 1 64 28 28 GLU CB C 32.428 0.000 1 65 28 28 GLU N N 117.638 0.016 1 66 29 29 ASP H H 8.716 0.003 1 67 29 29 ASP C C 177.205 0.000 1 68 29 29 ASP CA C 56.258 0.013 1 69 29 29 ASP CB C 40.847 0.004 1 70 29 29 ASP N N 121.984 0.020 1 71 30 30 GLY H H 8.758 0.003 1 72 30 30 GLY C C 175.216 0.000 1 73 30 30 GLY CA C 45.163 0.000 1 74 30 30 GLY N N 110.681 0.019 1 75 31 31 GLU H H 7.573 0.001 1 76 31 31 GLU C C 175.457 0.000 1 77 31 31 GLU CA C 56.053 0.002 1 78 31 31 GLU CB C 31.786 0.000 1 79 31 31 GLU N N 120.475 0.019 1 80 32 32 LEU H H 9.205 0.002 1 81 32 32 LEU C C 173.146 0.000 1 82 32 32 LEU CA C 53.762 0.011 1 83 32 32 LEU CB C 45.615 0.022 1 84 32 32 LEU N N 127.048 0.023 1 85 33 33 GLY H H 8.099 0.001 1 86 33 33 GLY C C 173.537 0.000 1 87 33 33 GLY CA C 44.765 0.009 1 88 33 33 GLY N N 108.383 0.019 1 89 34 34 PHE H H 7.978 0.002 1 90 34 34 PHE C C 174.678 0.000 1 91 34 34 PHE CA C 56.718 0.017 1 92 34 34 PHE CB C 39.987 0.002 1 93 34 34 PHE N N 113.494 0.032 1 94 35 35 ARG H H 9.642 0.005 1 95 35 35 ARG C C 175.728 0.000 1 96 35 35 ARG CA C 53.125 0.005 1 97 35 35 ARG CB C 33.137 0.004 1 98 35 35 ARG N N 120.760 0.015 1 99 36 36 ARG H H 9.211 0.001 1 100 36 36 ARG C C 176.528 0.000 1 101 36 36 ARG CA C 58.548 0.003 1 102 36 36 ARG CB C 30.062 0.024 1 103 36 36 ARG N N 120.801 0.030 1 104 37 37 GLY H H 8.652 0.003 1 105 37 37 GLY C C 174.460 0.000 1 106 37 37 GLY CA C 44.514 0.007 1 107 37 37 GLY N N 115.096 0.017 1 108 38 38 ASP H H 8.371 0.002 1 109 38 38 ASP C C 175.240 0.000 1 110 38 38 ASP CA C 55.598 0.000 1 111 38 38 ASP CB C 41.704 0.001 1 112 38 38 ASP N N 122.490 0.021 1 113 39 39 PHE H H 8.496 0.001 1 114 39 39 PHE C C 175.624 0.000 1 115 39 39 PHE CA C 57.322 0.003 1 116 39 39 PHE CB C 40.405 0.010 1 117 39 39 PHE N N 118.023 0.019 1 118 40 40 ILE H H 9.075 0.001 1 119 40 40 ILE C C 174.909 0.000 1 120 40 40 ILE CA C 60.702 0.045 1 121 40 40 ILE CB C 41.417 0.049 1 122 40 40 ILE N N 124.407 0.031 1 123 41 41 HIS H H 8.549 0.001 1 124 41 41 HIS C C 175.103 0.000 1 125 41 41 HIS CA C 54.258 0.003 1 126 41 41 HIS CB C 32.278 0.011 1 127 41 41 HIS N N 127.856 0.017 1 128 42 42 VAL H H 8.795 0.001 1 129 42 42 VAL C C 174.418 0.000 1 130 42 42 VAL CA C 64.745 0.001 1 131 42 42 VAL CB C 31.856 0.005 1 132 42 42 VAL N N 128.758 0.029 1 133 43 43 MET H H 9.134 0.002 1 134 43 43 MET C C 175.755 0.000 1 135 43 43 MET CA C 56.247 0.001 1 136 43 43 MET CB C 35.434 0.001 1 137 43 43 MET N N 126.554 0.016 1 138 44 44 ASP H H 7.549 0.002 1 139 44 44 ASP C C 174.710 0.000 1 140 44 44 ASP CA C 54.815 0.010 1 141 44 44 ASP CB C 43.368 0.028 1 142 44 44 ASP N N 116.644 0.023 1 143 45 45 ASN H H 8.128 0.003 1 144 45 45 ASN C C 174.834 0.000 1 145 45 45 ASN CA C 50.832 0.032 1 146 45 45 ASN CB C 36.052 0.011 1 147 45 45 ASN N N 126.266 0.018 1 148 46 46 SER H H 8.214 0.002 1 149 46 46 SER C C 175.163 0.000 1 150 46 46 SER CA C 61.523 0.017 1 151 46 46 SER CB C 63.421 0.019 1 152 46 46 SER N N 115.724 0.018 1 153 47 47 ASP H H 8.603 0.002 1 154 47 47 ASP CA C 51.943 0.000 1 155 47 47 ASP CB C 44.075 0.000 1 156 47 47 ASP N N 127.039 0.024 1 157 48 48 PRO C C 176.725 0.000 1 158 48 48 PRO CA C 64.267 0.012 1 159 48 48 PRO CB C 32.463 0.000 1 160 49 49 ASN H H 8.691 0.002 1 161 49 49 ASN C C 175.020 0.000 1 162 49 49 ASN CA C 54.501 0.021 1 163 49 49 ASN CB C 42.191 0.002 1 164 49 49 ASN N N 113.320 0.024 1 165 50 50 TRP H H 8.947 0.002 1 166 50 50 TRP C C 174.164 0.000 1 167 50 50 TRP CA C 56.596 0.020 1 168 50 50 TRP CB C 30.948 0.014 1 169 50 50 TRP N N 124.481 0.018 1 170 51 51 TRP H H 8.578 0.003 1 171 51 51 TRP C C 173.124 0.000 1 172 51 51 TRP CA C 53.273 0.006 1 173 51 51 TRP CB C 33.274 0.014 1 174 51 51 TRP N N 125.872 0.018 1 175 52 52 LYS H H 8.523 0.002 1 176 52 52 LYS C C 177.720 0.000 1 177 52 52 LYS CA C 54.779 0.025 1 178 52 52 LYS CB C 36.368 0.003 1 179 52 52 LYS N N 119.178 0.015 1 180 53 53 GLY H H 9.703 0.003 1 181 53 53 GLY C C 169.408 0.000 1 182 53 53 GLY CA C 46.659 0.021 1 183 53 53 GLY N N 115.037 0.015 1 184 54 54 ALA H H 8.882 0.002 1 185 54 54 ALA C C 177.280 0.000 1 186 54 54 ALA CA C 50.758 0.011 1 187 54 54 ALA CB C 23.494 0.016 1 188 54 54 ALA N N 120.706 0.047 1 189 55 55 CYS H H 8.753 0.002 1 190 55 55 CYS CA C 59.780 0.000 1 191 55 55 CYS CB C 29.396 0.000 1 192 55 55 CYS N N 120.776 0.034 1 193 57 57 GLY C C 173.924 0.000 1 194 57 57 GLY CA C 45.811 0.011 1 195 58 58 GLN H H 7.982 0.003 1 196 58 58 GLN C C 174.751 0.000 1 197 58 58 GLN CA C 53.921 0.000 1 198 58 58 GLN CB C 32.035 0.003 1 199 58 58 GLN N N 120.107 0.032 1 200 59 59 THR H H 8.490 0.003 1 201 59 59 THR C C 174.674 0.000 1 202 59 59 THR CA C 60.474 0.042 1 203 59 59 THR CB C 72.182 0.005 1 204 59 59 THR N N 112.904 0.031 1 205 60 60 GLY H H 9.046 0.003 1 206 60 60 GLY C C 171.301 0.000 1 207 60 60 GLY CA C 45.889 0.005 1 208 60 60 GLY N N 108.987 0.017 1 209 61 61 MET H H 8.903 0.003 1 210 61 61 MET C C 177.295 0.000 1 211 61 61 MET CA C 53.228 0.000 1 212 61 61 MET CB C 33.198 0.000 1 213 61 61 MET N N 117.620 0.025 1 214 62 62 PHE H H 9.455 0.002 1 215 62 62 PHE CA C 55.331 0.000 1 216 62 62 PHE CB C 40.349 0.000 1 217 62 62 PHE N N 117.967 0.027 1 218 63 63 PRO C C 178.061 0.000 1 219 63 63 PRO CA C 61.014 0.018 1 220 63 63 PRO CB C 30.509 0.000 1 221 64 64 ARG H H 7.582 0.001 1 222 64 64 ARG C C 176.985 0.000 1 223 64 64 ARG CA C 57.687 0.007 1 224 64 64 ARG CB C 27.835 0.014 1 225 64 64 ARG N N 125.736 0.017 1 226 65 65 ASN H H 8.390 0.002 1 227 65 65 ASN C C 175.331 0.000 1 228 65 65 ASN CA C 54.062 0.000 1 229 65 65 ASN CB C 36.549 0.009 1 230 65 65 ASN N N 114.110 0.023 1 231 66 66 TYR H H 7.848 0.003 1 232 66 66 TYR C C 175.416 0.000 1 233 66 66 TYR CA C 58.485 0.006 1 234 66 66 TYR CB C 38.644 0.009 1 235 66 66 TYR N N 119.070 0.022 1 236 67 67 VAL H H 7.502 0.002 1 237 67 67 VAL C C 173.483 0.000 1 238 67 67 VAL CA C 58.764 0.023 1 239 67 67 VAL CB C 35.947 0.016 1 240 67 67 VAL N N 109.796 0.017 1 241 68 68 THR H H 8.584 0.003 1 242 68 68 THR CA C 57.803 0.000 1 243 68 68 THR CB C 72.498 0.000 1 244 68 68 THR N N 114.101 0.037 1 245 69 69 PRO C C 176.268 0.000 1 246 69 69 PRO CA C 63.963 0.000 1 247 69 69 PRO CB C 32.676 0.010 1 248 70 70 VAL H H 8.017 0.002 1 249 70 70 VAL CA C 61.475 0.000 1 250 70 70 VAL CB C 33.917 0.000 1 251 70 70 VAL N N 119.143 0.033 1 252 73 73 ASN C C 173.975 0.000 1 253 73 73 ASN CA C 53.366 0.000 1 254 73 73 ASN CB C 38.726 0.003 1 255 74 74 VAL H H 7.539 0.002 1 256 74 74 VAL CA C 63.524 0.000 1 257 74 74 VAL CB C 33.432 0.000 1 258 74 74 VAL N N 123.568 0.019 1 stop_ save_