data_26627 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Backbone 1H, 13C and 15N resonance assignments for CaM-Fas-47-83 complex ; _BMRB_accession_number 26627 _BMRB_flat_file_name bmr26627.str _Entry_type original _Submission_date 2015-08-07 _Accession_date 2015-08-07 _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 Vlach Jiri . . 2 Saad Jamil . . 3 Chang Bliss . . 4 Samal Alexandra . . 5 Fernandez Timothy . . 6 Brooke Dewey . . 7 Prevelige Peter . . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 2 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 267 "13C chemical shifts" 376 "15N chemical shifts" 179 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2016-06-21 original author 'update entry citation' 2015-11-24 original author 'add assignments of Fas47-83' 2015-09-04 original author 'original release' stop_ loop_ _Related_BMRB_accession_number _Relationship 26626 CaM+Fas stop_ _Original_release_date 2015-09-04 save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full . _Citation_title ; Identification of the Calmodulin-Binding Domains of Fas Death Receptor ; _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 26735300 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Chang Bliss . . 2 Samal Alexandra . . 3 Vlach Jiri . . 4 Fernandez Timothy . . 5 Brooke Dewey . . 6 Prevelige Peter . . 7 Saad Jamil . . stop_ _Journal_abbreviation 'PLoS One' _Journal_volume 11 _Journal_issue 1 _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first e0146493 _Page_last e0146493 _Year 2016 _Details . save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name CaM+Fas47-83 _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label CaM $CaM Fas47-83 $Fas47-83 stop_ _System_molecular_weight 21251.4279 _System_physical_state native _System_oligomer_state ? _System_paramagnetic no _System_thiol_state 'all free' _Database_query_date . _Details . save_ ######################## # Monomeric polymers # ######################## save_CaM _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common CaM _Molecular_mass 16683.1669 _Mol_thiol_state 'not present' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 148 _Mol_residue_sequence ; ADQLTEEQIAEFKEAFSLFD KDGDGTITTKELGTVMRSLG QNPTEAELQDMINEVDADGN GTIDFPEFLTMMARKMKDTD SEEEIREAFRVFDKDGNGYI SAAELRHVMTNLGEKLTDEE VDEMIREADIDGDGQVNYEE FVQMMTAK ; loop_ _Residue_seq_code _Residue_author_seq_code _Residue_label 1 1 ALA 2 2 ASP 3 3 GLN 4 4 LEU 5 5 THR 6 6 GLU 7 7 GLU 8 8 GLN 9 9 ILE 10 10 ALA 11 11 GLU 12 12 PHE 13 13 LYS 14 14 GLU 15 15 ALA 16 16 PHE 17 17 SER 18 18 LEU 19 19 PHE 20 20 ASP 21 21 LYS 22 22 ASP 23 23 GLY 24 24 ASP 25 25 GLY 26 26 THR 27 27 ILE 28 28 THR 29 29 THR 30 30 LYS 31 31 GLU 32 32 LEU 33 33 GLY 34 34 THR 35 35 VAL 36 36 MET 37 37 ARG 38 38 SER 39 39 LEU 40 40 GLY 41 41 GLN 42 42 ASN 43 43 PRO 44 44 THR 45 45 GLU 46 46 ALA 47 47 GLU 48 48 LEU 49 49 GLN 50 50 ASP 51 51 MET 52 52 ILE 53 53 ASN 54 54 GLU 55 55 VAL 56 56 ASP 57 57 ALA 58 58 ASP 59 59 GLY 60 60 ASN 61 61 GLY 62 62 THR 63 63 ILE 64 64 ASP 65 65 PHE 66 66 PRO 67 67 GLU 68 68 PHE 69 69 LEU 70 70 THR 71 71 MET 72 72 MET 73 73 ALA 74 74 ARG 75 75 LYS 76 76 MET 77 77 LYS 78 78 ASP 79 79 THR 80 80 ASP 81 81 SER 82 82 GLU 83 83 GLU 84 84 GLU 85 85 ILE 86 86 ARG 87 87 GLU 88 88 ALA 89 89 PHE 90 90 ARG 91 91 VAL 92 92 PHE 93 93 ASP 94 94 LYS 95 95 ASP 96 96 GLY 97 97 ASN 98 98 GLY 99 99 TYR 100 100 ILE 101 101 SER 102 102 ALA 103 103 ALA 104 104 GLU 105 105 LEU 106 106 ARG 107 107 HIS 108 108 VAL 109 109 MET 110 110 THR 111 111 ASN 112 112 LEU 113 113 GLY 114 114 GLU 115 115 LYS 116 116 LEU 117 117 THR 118 118 ASP 119 119 GLU 120 120 GLU 121 121 VAL 122 122 ASP 123 123 GLU 124 124 MET 125 125 ILE 126 126 ARG 127 127 GLU 128 128 ALA 129 129 ASP 130 130 ILE 131 131 ASP 132 132 GLY 133 133 ASP 134 134 GLY 135 135 GLN 136 136 VAL 137 137 ASN 138 138 TYR 139 139 GLU 140 140 GLU 141 141 PHE 142 142 VAL 143 143 GLN 144 144 MET 145 145 MET 146 146 THR 147 147 ALA 148 148 LYS stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date . save_ save_Fas47-83 _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common Fas47-83 _Molecular_mass 4568.261 _Mol_thiol_state 'all free' _Details . _Residue_count 39 _Mol_residue_sequence ; SVQDTAEQKVQLLRNWHQLH GKKEAYDTLIKDLKKANLC ; loop_ _Residue_seq_code _Residue_author_seq_code _Residue_label 1 . SER 2 251 VAL 3 252 GLN 4 253 ASP 5 254 THR 6 255 ALA 7 256 GLU 8 257 GLN 9 258 LYS 10 259 VAL 11 260 GLN 12 261 LEU 13 262 LEU 14 263 ARG 15 264 ASN 16 265 TRP 17 266 HIS 18 267 GLN 19 268 LEU 20 269 HIS 21 270 GLY 22 271 LYS 23 272 LYS 24 273 GLU 25 274 ALA 26 275 TYR 27 276 ASP 28 277 THR 29 278 LEU 30 279 ILE 31 280 LYS 32 281 ASP 33 282 LEU 34 283 LYS 35 284 LYS 36 285 ALA 37 286 ASN 38 287 LEU 39 288 CYS stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date . 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 GenBank TmpAcc TmpAcc1 . . . . . NCBI NP_000034.1 FAS . . . . . stop_ save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _Organism_acronym _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species $CaM Rat 'Norway rat' 10116 Eukaryota Metazoa Rattus norvegicus $Fas47-83 Human 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 _Vector_name $CaM 'recombinant technology' 'Escherichia coli' Escherichia coli BL21 pT7-7 $Fas47-83 'recombinant technology' 'Escherichia coli' Escherichia coli BL21 pET stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_15N _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $CaM 0.5 mM '[[U-95% 13C; U-95% 15N]]' $Fas47-83 0.5 mM 'natural abundance' H2O 95 % 'natural abundance' D2O 5 % 'natural abundance' Tris 50 mM 'natural abundance' NaCl 100 mM 'natural abundance' CaCl2 5 mM 'natural abundance' stop_ save_ save_13C15N _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $CaM 0.5 mM '[[U-95% 13C; U-95% 15N]]' $Fas47-83 0.5 mM 'natural abundance' H2O 95 % 'natural abundance' D2O 5 % 'natural abundance' Tris 50 mM 'natural abundance' NaCl 100 mM 'natural abundance' CaCl2 5 mM 'natural abundance' stop_ save_ save_13C15N_2 _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $CaM 0.3 mM 'natural abundance' $Fas47-83 0.3 mM '[[U-95% 13C; U-95% 15N]]' H2O 95 % 'natural abundance' D2O 5 % 'natural abundance' Tris 50 mM 'natural abundance' NaCl 100 mM 'natural abundance' CaCl2 5 mM 'natural abundance' stop_ save_ ############################ # Computer software used # ############################ save_CcpNmr_Analysis _Saveframe_category software _Name CcpNmr_Analysis _Version 2.4 loop_ _Vendor _Address _Electronic_address CCPN 'Department of Biochemistry, Cambridge CB2 1GA, UK' http://www.ccpn.ac.uk stop_ loop_ _Task 'data analysis' stop_ _Details 'The CCPN NMR assignment and data analysis application' save_ save_nmrDraw _Saveframe_category software _Name nmrDraw _Version any loop_ _Vendor _Address _Electronic_address 'Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax' . . stop_ loop_ _Task 'Spectrum analysis' 'Spectrum display' stop_ _Details . 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_ save_nmrView _Saveframe_category software _Name nmrView _Version any loop_ _Vendor _Address _Electronic_address 'Johnson, One Moon Scientific' . . stop_ loop_ _Task 'Spectrum analysis' 'Spectrum display' stop_ _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model DMX _Field_strength 700 _Details . save_ ############################# # NMR applied experiments # ############################# save_2D_1H-15N_HSQC/HMQC_1 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-15N HSQC/HMQC' _Sample_label $15N save_ save_3D_1H-15N_NOESY_2 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-15N NOESY' _Sample_label $15N save_ save_3D_HNCA_3 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCA' _Sample_label $13C15N save_ save_3D_HNCACB_4 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCACB' _Sample_label $13C15N save_ save_cf_HNcoCA_(H[N[co[{CA|ca[C]}]]])_5 _Saveframe_category NMR_applied_experiment _Experiment_name 'cf_HNcoCA (H[N[co[{CA|ca[C]}]]])' _Sample_label $13C15N save_ save_cf_HNcoCACB_(H[N[co[{CA|ca[C]}]]])_6 _Saveframe_category NMR_applied_experiment _Experiment_name 'cf_HNcoCACB (H[N[co[{CA|ca[C]}]]])' _Sample_label $13C15N save_ save_3D_1H-15N_TOCSY_7 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-15N TOCSY' _Sample_label $13C15N_2 save_ save_3D_HNCO_8 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCO' _Sample_label $13C15N_2 save_ ####################### # Sample conditions # ####################### save_cond _Saveframe_category sample_conditions _Details . loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units 'ionic strength' 0.115 . M pH 7.000 . pH pressure 1.000 . atm temperature 308.000 . 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 DSS C 13 'methyl protons' ppm 0.00 na indirect . . . 0.251449530 DSS H 1 'methyl protons' ppm 0.00 internal direct . . . 1.000000000 DSS N 15 'methyl protons' ppm 0.00 na 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_ _Software_label $CcpNmr_Analysis stop_ loop_ _Experiment_label '2D 1H-15N HSQC/HMQC' '3D 1H-15N NOESY' '3D HNCA' '3D HNCACB' 'cf_HNcoCA (H[N[co[{CA|ca[C]}]]])' 'cf_HNcoCACB (H[N[co[{CA|ca[C]}]]])' '3D 1H-15N TOCSY' '3D HNCO' stop_ loop_ _Sample_label $15N $13C15N $13C15N_2 stop_ _Sample_conditions_label $cond _Chem_shift_reference_set_label $chemical_shift_reference_1 _Mol_system_component_name CaM _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 ASP CA C 54.662 0.053 1 2 2 2 ASP CB C 41.345 . 1 3 3 3 GLN H H 8.330 0.001 1 4 3 3 GLN CA C 55.549 0.07 1 5 3 3 GLN CB C 29.747 0.072 1 6 3 3 GLN N N 119.859 0.028 1 7 4 4 LEU H H 8.261 0.001 1 8 4 4 LEU CA C 54.444 0.053 1 9 4 4 LEU CB C 43.547 0.011 1 10 4 4 LEU N N 123.177 0.037 1 11 5 5 THR H H 8.656 0.01 1 12 5 5 THR CA C 60.520 0.087 1 13 5 5 THR CB C 71.142 0.002 1 14 5 5 THR N N 113.057 0.037 1 15 6 6 GLU H H 8.998 0.004 1 16 6 6 GLU CA C 60.015 0.036 1 17 6 6 GLU CB C 29.160 0.003 1 18 6 6 GLU N N 120.477 0.049 1 19 7 7 GLU H H 8.693 0.008 1 20 7 7 GLU CA C 59.919 0.007 1 21 7 7 GLU CB C 28.935 0.001 1 22 7 7 GLU N N 119.500 0.032 1 23 8 8 GLN H H 7.711 0.004 1 24 8 8 GLN CA C 58.603 0.043 1 25 8 8 GLN CB C 29.266 0.051 1 26 8 8 GLN N N 120.356 0.068 1 27 9 9 ILE H H 8.330 0.005 1 28 9 9 ILE CA C 66.205 0.01 1 29 9 9 ILE CB C 37.769 0.025 1 30 9 9 ILE N N 119.476 0.049 1 31 10 10 ALA H H 8.004 0.005 1 32 10 10 ALA CA C 55.415 0.04 1 33 10 10 ALA CB C 17.814 0.034 1 34 10 10 ALA N N 121.252 0.034 1 35 11 11 GLU H H 7.774 0.005 1 36 11 11 GLU CA C 59.372 0.01 1 37 11 11 GLU CB C 29.134 0.04 1 38 11 11 GLU N N 119.722 0.044 1 39 12 12 PHE H H 8.526 0.007 1 40 12 12 PHE CA C 59.269 0.043 1 41 12 12 PHE CB C 37.651 0.036 1 42 12 12 PHE N N 119.993 0.056 1 43 13 13 LYS H H 9.191 0.002 1 44 13 13 LYS CA C 60.071 0.018 1 45 13 13 LYS CB C 31.791 0.044 1 46 13 13 LYS N N 123.639 0.061 1 47 14 14 GLU H H 7.881 0.012 1 48 14 14 GLU CA C 59.415 0.05 1 49 14 14 GLU CB C 29.040 0.103 1 50 14 14 GLU N N 120.600 0.113 1 51 15 15 ALA H H 7.988 0.005 1 52 15 15 ALA HB H 1.929 0.0 1 53 15 15 ALA CA C 55.324 0.038 1 54 15 15 ALA CB C 18.181 . 1 55 15 15 ALA N N 122.022 0.112 1 56 16 16 PHE H H 8.733 0.009 1 57 16 16 PHE CA C 61.992 0.036 1 58 16 16 PHE CB C 39.631 0.063 1 59 16 16 PHE N N 118.898 0.047 1 60 17 17 SER H H 8.037 0.007 1 61 17 17 SER CA C 61.499 0.01 1 62 17 17 SER CB C 63.173 0.052 1 63 17 17 SER N N 113.436 0.084 1 64 18 18 LEU H H 7.411 0.005 1 65 18 18 LEU CA C 56.924 0.065 1 66 18 18 LEU CB C 41.445 0.003 1 67 18 18 LEU N N 120.290 0.09 1 68 19 19 PHE H H 7.159 0.006 1 69 19 19 PHE CA C 58.926 0.037 1 70 19 19 PHE CB C 41.379 0.036 1 71 19 19 PHE N N 113.949 0.071 1 72 20 20 ASP H H 7.676 0.004 1 73 20 20 ASP CA C 52.315 0.006 1 74 20 20 ASP CB C 39.047 0.06 1 75 20 20 ASP N N 116.947 0.031 1 76 21 21 LYS H H 7.612 0.01 1 77 21 21 LYS CA C 58.139 0.05 1 78 21 21 LYS CB C 32.345 0.017 1 79 21 21 LYS N N 124.330 0.058 1 80 22 22 ASP H H 8.102 0.004 1 81 22 22 ASP CA C 52.855 0.013 1 82 22 22 ASP CB C 39.520 0.041 1 83 22 22 ASP N N 114.133 0.047 1 84 23 23 GLY H H 7.665 0.003 1 85 23 23 GLY CA C 47.253 0.042 1 86 23 23 GLY N N 109.369 0.051 1 87 24 24 ASP H H 8.442 0.003 1 88 24 24 ASP CA C 53.725 0.035 1 89 24 24 ASP CB C 40.424 0.02 1 90 24 24 ASP N N 120.905 0.049 1 91 25 25 GLY H H 10.544 0.01 1 92 25 25 GLY CA C 45.444 0.05 1 93 25 25 GLY N N 113.000 0.048 1 94 26 26 THR H H 8.192 0.003 1 95 26 26 THR CA C 59.655 0.005 1 96 26 26 THR CB C 72.679 0.003 1 97 26 26 THR N N 112.405 0.059 1 98 27 27 ILE H H 9.876 0.009 1 99 27 27 ILE CA C 61.003 0.027 1 100 27 27 ILE CB C 39.767 0.053 1 101 27 27 ILE N N 126.981 0.04 1 102 28 28 THR H H 8.359 0.011 1 103 28 28 THR CA C 59.312 0.012 1 104 28 28 THR CB C 72.355 0.022 1 105 28 28 THR N N 116.370 0.043 1 106 29 29 THR H H 9.209 0.007 1 107 29 29 THR CA C 66.401 0.033 1 108 29 29 THR CB C 67.810 0.033 1 109 29 29 THR N N 112.814 0.077 1 110 30 30 LYS H H 7.624 0.008 1 111 30 30 LYS CA C 59.248 0.062 1 112 30 30 LYS CB C 32.424 0.043 1 113 30 30 LYS N N 120.903 0.052 1 114 31 31 GLU H H 7.735 0.01 1 115 31 31 GLU CA C 59.592 0.025 1 116 31 31 GLU CB C 29.585 0.036 1 117 31 31 GLU N N 121.816 0.079 1 118 32 32 LEU H H 8.613 0.009 1 119 32 32 LEU CA C 58.119 0.051 1 120 32 32 LEU CB C 42.455 0.027 1 121 32 32 LEU N N 120.531 0.07 1 122 33 33 GLY H H 8.717 0.01 1 123 33 33 GLY CA C 48.387 0.009 1 124 33 33 GLY N N 105.998 0.076 1 125 34 34 THR H H 8.020 0.006 1 126 34 34 THR CA C 67.110 0.051 1 127 34 34 THR CB C 68.741 0.056 1 128 34 34 THR N N 118.568 0.033 1 129 35 35 VAL H H 7.792 0.005 1 130 35 35 VAL CA C 66.397 0.021 1 131 35 35 VAL CB C 31.410 0.074 1 132 35 35 VAL N N 122.035 0.046 1 133 36 36 MET H H 8.476 0.005 1 134 36 36 MET CA C 59.702 0.009 1 135 36 36 MET N N 118.836 0.057 1 136 37 37 ARG H H 8.619 0.004 1 137 37 37 ARG CA C 59.218 0.016 1 138 37 37 ARG CB C 30.042 0.053 1 139 37 37 ARG N N 119.273 0.043 1 140 38 38 SER H H 7.980 0.005 1 141 38 38 SER CA C 61.529 0.067 1 142 38 38 SER CB C 62.521 0.07 1 143 38 38 SER N N 118.892 0.035 1 144 39 39 LEU H H 7.288 0.004 1 145 39 39 LEU CA C 54.423 0.052 1 146 39 39 LEU CB C 42.034 0.04 1 147 39 39 LEU N N 120.801 0.064 1 148 40 40 GLY H H 7.870 0.003 1 149 40 40 GLY CA C 45.617 0.039 1 150 40 40 GLY N N 107.047 0.062 1 151 41 41 GLN H H 7.721 0.005 1 152 41 41 GLN CA C 54.507 0.021 1 153 41 41 GLN CB C 30.376 0.005 1 154 41 41 GLN N N 118.256 0.058 1 155 42 42 ASN H H 8.689 0.005 1 156 42 42 ASN CA C 51.199 0.034 1 157 42 42 ASN CB C 39.165 . 1 158 42 42 ASN N N 116.428 0.05 1 159 43 43 PRO CA C 62.412 0.067 1 160 43 43 PRO CB C 31.990 0.072 1 161 44 44 THR H H 8.706 0.008 1 162 44 44 THR CA C 60.408 0.024 1 163 44 44 THR CB C 71.099 0.016 1 164 44 44 THR N N 112.805 0.061 1 165 45 45 GLU H H 8.785 0.004 1 166 45 45 GLU CA C 59.922 0.024 1 167 45 45 GLU CB C 28.975 0.024 1 168 45 45 GLU N N 120.719 0.034 1 169 46 46 ALA H H 8.232 0.002 1 170 46 46 ALA CA C 55.007 0.066 1 171 46 46 ALA CB C 18.175 0.036 1 172 46 46 ALA N N 120.706 0.046 1 173 47 47 GLU H H 7.669 0.004 1 174 47 47 GLU CA C 59.069 0.032 1 175 47 47 GLU CB C 29.760 . 1 176 47 47 GLU N N 118.867 0.05 1 177 48 48 LEU H H 8.048 0.006 1 178 48 48 LEU CA C 57.826 0.075 1 179 48 48 LEU CB C 42.373 0.022 1 180 48 48 LEU N N 119.851 0.05 1 181 49 49 GLN H H 8.223 0.008 1 182 49 49 GLN CA C 58.580 0.039 1 183 49 49 GLN CB C 28.025 0.077 1 184 49 49 GLN N N 118.275 0.068 1 185 50 50 ASP H H 8.082 0.006 1 186 50 50 ASP CA C 57.609 0.045 1 187 50 50 ASP CB C 40.381 0.015 1 188 50 50 ASP N N 119.941 0.048 1 189 51 51 MET H H 7.827 0.002 1 190 51 51 MET CA C 59.436 0.052 1 191 51 51 MET CB C 33.325 0.056 1 192 51 51 MET N N 118.913 0.064 1 193 52 52 ILE H H 7.800 0.006 1 194 52 52 ILE CA C 63.886 0.012 1 195 52 52 ILE CB C 37.032 . 1 196 52 52 ILE N N 119.055 0.044 1 197 53 53 ASN H H 8.642 0.004 1 198 53 53 ASN CA C 55.923 0.024 1 199 53 53 ASN CB C 38.049 0.03 1 200 53 53 ASN N N 118.220 0.059 1 201 54 54 GLU H H 7.580 0.007 1 202 54 54 GLU CA C 58.857 0.036 1 203 54 54 GLU CB C 30.143 . 1 204 54 54 GLU N N 116.335 0.034 1 205 55 55 VAL H H 7.196 0.005 1 206 55 55 VAL CA C 61.119 0.056 1 207 55 55 VAL CB C 33.220 . 1 208 55 55 VAL N N 111.656 0.048 1 209 56 56 ASP H H 7.704 0.006 1 210 56 56 ASP CA C 53.787 0.067 1 211 56 56 ASP CB C 40.430 0.058 1 212 56 56 ASP N N 120.964 0.092 1 213 57 57 ALA H H 8.204 0.008 1 214 57 57 ALA CA C 54.306 0.072 1 215 57 57 ALA CB C 19.753 . 1 216 57 57 ALA N N 131.669 0.063 1 217 58 58 ASP H H 8.221 0.007 1 218 58 58 ASP CA C 52.802 0.074 1 219 58 58 ASP CB C 39.848 0.012 1 220 58 58 ASP N N 114.037 0.056 1 221 59 59 GLY H H 7.586 0.007 1 222 59 59 GLY CA C 47.188 0.049 1 223 59 59 GLY N N 108.647 0.049 1 224 60 60 ASN H H 8.163 0.005 1 225 60 60 ASN HD21 H 6.970 . 1 226 60 60 ASN HD22 H 7.731 . 1 227 60 60 ASN CA C 52.656 0.016 1 228 60 60 ASN CB C 37.535 0.04 1 229 60 60 ASN N N 118.827 0.038 1 230 60 60 ASN ND2 N 115.198 0.006 1 231 61 61 GLY H H 10.519 0.004 1 232 61 61 GLY CA C 45.661 0.033 1 233 61 61 GLY N N 113.333 0.039 1 234 62 62 THR H H 7.649 0.003 1 235 62 62 THR CA C 59.395 0.028 1 236 62 62 THR CB C 72.154 0.036 1 237 62 62 THR N N 108.647 0.045 1 238 63 63 ILE H H 8.762 0.006 1 239 63 63 ILE CA C 59.596 0.051 1 240 63 63 ILE CB C 39.917 0.065 1 241 63 63 ILE N N 123.711 0.063 1 242 64 64 ASP H H 8.903 0.007 1 243 64 64 ASP CA C 52.023 0.073 1 244 64 64 ASP CB C 42.252 0.038 1 245 64 64 ASP N N 128.319 0.061 1 246 65 65 PHE H H 8.924 0.004 1 247 65 65 PHE CA C 63.216 0.087 1 248 65 65 PHE CB C 35.819 . 1 249 65 65 PHE N N 118.728 0.048 1 250 66 66 PRO CA C 66.844 0.051 1 251 66 66 PRO CB C 30.704 . 1 252 67 67 GLU H H 8.151 0.009 1 253 67 67 GLU CA C 58.959 0.027 1 254 67 67 GLU CB C 29.405 . 1 255 67 67 GLU N N 117.893 0.033 1 256 68 68 PHE H H 8.648 0.007 1 257 68 68 PHE CA C 61.422 0.057 1 258 68 68 PHE N N 123.736 0.044 1 259 69 69 LEU H H 8.741 0.011 1 260 69 69 LEU CA C 57.901 0.045 1 261 69 69 LEU CB C 41.095 . 1 262 69 69 LEU N N 119.608 0.115 1 263 70 70 THR H H 7.680 0.005 1 264 70 70 THR CA C 66.566 0.044 1 265 70 70 THR CB C 68.427 0.082 1 266 70 70 THR N N 115.117 0.035 1 267 71 71 MET H H 7.343 0.011 1 268 71 71 MET CA C 58.692 0.097 1 269 71 71 MET CB C 31.881 . 1 270 71 71 MET N N 120.776 0.074 1 271 72 72 MET H H 7.886 0.008 1 272 72 72 MET CA C 55.839 0.036 1 273 72 72 MET CB C 30.719 . 1 274 72 72 MET N N 117.145 0.057 1 275 73 73 ALA H H 8.160 0.01 1 276 73 73 ALA CA C 53.888 0.008 1 277 73 73 ALA CB C 18.375 . 1 278 73 73 ALA N N 121.130 0.055 1 279 74 74 ARG H H 7.438 0.007 1 280 74 74 ARG CA C 57.913 0.034 1 281 74 74 ARG CB C 30.093 . 1 282 74 74 ARG N N 117.456 0.057 1 283 75 75 LYS H H 7.858 0.005 1 284 75 75 LYS CA C 56.874 . 1 285 75 75 LYS N N 119.667 0.066 1 286 76 76 MET CA C 56.231 . 1 287 76 76 MET CB C 32.927 . 1 288 77 77 LYS H H 7.904 0.013 1 289 77 77 LYS CA C 56.571 0.048 1 290 77 77 LYS CB C 33.082 . 1 291 77 77 LYS N N 120.758 0.043 1 292 78 78 ASP H H 8.264 0.01 1 293 78 78 ASP CA C 54.617 0.047 1 294 78 78 ASP CB C 41.054 0.016 1 295 78 78 ASP N N 121.577 0.084 1 296 79 79 THR H H 8.046 0.008 1 297 79 79 THR CA C 62.261 0.091 1 298 79 79 THR CB C 69.842 0.033 1 299 79 79 THR N N 114.358 0.072 1 300 80 80 ASP H H 8.413 0.004 1 301 80 80 ASP CA C 54.517 0.06 1 302 80 80 ASP CB C 41.367 0.023 1 303 80 80 ASP N N 123.150 0.054 1 304 81 81 SER H H 8.415 0.005 1 305 81 81 SER CA C 59.348 0.087 1 306 81 81 SER CB C 63.821 0.046 1 307 81 81 SER N N 117.226 0.045 1 308 82 82 GLU H H 8.524 0.01 1 309 82 82 GLU CA C 58.983 0.029 1 310 82 82 GLU CB C 29.459 . 1 311 82 82 GLU N N 122.631 0.055 1 312 83 83 GLU H H 8.305 0.007 1 313 83 83 GLU CA C 59.500 0.032 1 314 83 83 GLU CB C 29.424 0.012 1 315 83 83 GLU N N 119.465 0.035 1 316 84 84 GLU H H 8.096 0.005 1 317 84 84 GLU CA C 59.372 0.079 1 318 84 84 GLU CB C 29.295 0.007 1 319 84 84 GLU N N 118.652 0.067 1 320 85 85 ILE H H 7.974 0.01 1 321 85 85 ILE CA C 64.955 0.028 1 322 85 85 ILE CB C 37.306 0.026 1 323 85 85 ILE N N 121.622 0.137 1 324 86 86 ARG H H 8.405 0.002 1 325 86 86 ARG CA C 60.091 0.029 1 326 86 86 ARG CB C 29.727 0.035 1 327 86 86 ARG N N 121.752 0.063 1 328 87 87 GLU H H 8.122 0.003 1 329 87 87 GLU CA C 59.047 0.034 1 330 87 87 GLU CB C 29.266 . 1 331 87 87 GLU N N 118.658 0.042 1 332 88 88 ALA H H 7.938 0.005 1 333 88 88 ALA CA C 55.108 0.052 1 334 88 88 ALA CB C 17.778 0.05 1 335 88 88 ALA N N 121.676 0.016 1 336 89 89 PHE H H 8.487 0.004 1 337 89 89 PHE CA C 62.378 0.047 1 338 89 89 PHE CB C 39.055 0.017 1 339 89 89 PHE N N 118.367 0.062 1 340 90 90 ARG H H 7.720 0.006 1 341 90 90 ARG CA C 58.794 0.007 1 342 90 90 ARG CB C 30.235 0.028 1 343 90 90 ARG N N 115.439 0.034 1 344 91 91 VAL H H 7.456 0.005 1 345 91 91 VAL CA C 65.656 0.023 1 346 91 91 VAL CB C 31.253 . 1 347 91 91 VAL N N 118.249 0.044 1 348 92 92 PHE H H 7.342 0.01 1 349 92 92 PHE CA C 59.708 0.062 1 350 92 92 PHE CB C 40.333 0.035 1 351 92 92 PHE N N 116.281 0.093 1 352 93 93 ASP H H 7.894 0.009 1 353 93 93 ASP CA C 52.128 0.063 1 354 93 93 ASP CB C 38.344 0.019 1 355 93 93 ASP N N 116.687 0.05 1 356 94 94 LYS H H 7.664 0.007 1 357 94 94 LYS CA C 59.050 0.05 1 358 94 94 LYS CB C 32.680 0.036 1 359 94 94 LYS N N 125.951 0.075 1 360 95 95 ASP H H 8.221 0.005 1 361 95 95 ASP CA C 53.069 0.057 1 362 95 95 ASP CB C 39.580 0.023 1 363 95 95 ASP N N 114.155 0.035 1 364 96 96 GLY H H 7.793 0.003 1 365 96 96 GLY CA C 47.116 0.077 1 366 96 96 GLY N N 109.363 0.073 1 367 97 97 ASN H H 8.348 0.005 1 368 97 97 ASN HD21 H 8.033 0.001 1 369 97 97 ASN HD22 H 7.355 0.001 1 370 97 97 ASN CA C 52.685 0.036 1 371 97 97 ASN CB C 38.155 0.03 1 372 97 97 ASN N N 119.723 0.434 1 373 97 97 ASN ND2 N 116.521 0.017 1 374 98 98 GLY H H 10.637 0.004 1 375 98 98 GLY CA C 45.046 0.058 1 376 98 98 GLY N N 112.883 0.04 1 377 99 99 TYR H H 7.628 0.004 1 378 99 99 TYR CA C 56.121 0.034 1 379 99 99 TYR CB C 43.062 0.005 1 380 99 99 TYR N N 116.035 0.031 1 381 100 100 ILE H H 10.161 0.003 1 382 100 100 ILE CA C 61.029 0.053 1 383 100 100 ILE CB C 39.008 . 1 384 100 100 ILE N N 127.299 0.045 1 385 101 101 SER H H 8.919 0.003 1 386 101 101 SER CA C 55.771 0.104 1 387 101 101 SER CB C 66.801 0.048 1 388 101 101 SER N N 123.692 0.057 1 389 102 102 ALA H H 9.212 0.006 1 390 102 102 ALA CA C 55.897 0.04 1 391 102 102 ALA CB C 18.024 0.003 1 392 102 102 ALA N N 123.006 0.057 1 393 103 103 ALA H H 8.234 0.004 1 394 103 103 ALA CA C 55.203 0.041 1 395 103 103 ALA CB C 18.373 . 1 396 103 103 ALA N N 118.467 0.044 1 397 104 104 GLU H H 7.861 0.006 1 398 104 104 GLU CA C 59.480 0.11 1 399 104 104 GLU CB C 28.999 0.05 1 400 104 104 GLU N N 120.139 0.076 1 401 105 105 LEU H H 8.499 0.05 1 402 105 105 LEU CA C 58.308 0.075 1 403 105 105 LEU CB C 41.923 0.024 1 404 105 105 LEU N N 121.187 0.298 1 405 106 106 ARG H H 8.661 0.003 1 406 106 106 ARG CA C 59.978 0.018 1 407 106 106 ARG N N 118.086 0.089 1 408 107 107 HIS H H 7.963 0.004 1 409 107 107 HIS HB2 H 3.237 0.004 2 410 107 107 HIS HB3 H 3.322 0.005 2 411 107 107 HIS CA C 59.851 0.022 1 412 107 107 HIS CB C 29.263 . 1 413 107 107 HIS N N 119.504 0.114 1 414 108 108 VAL H H 7.961 0.003 1 415 108 108 VAL HA H 3.509 0.001 1 416 108 108 VAL CA C 66.516 0.011 1 417 108 108 VAL CB C 33.265 . 1 418 108 108 VAL N N 119.172 0.033 1 419 109 109 MET H H 8.225 0.004 1 420 109 109 MET CA C 57.702 0.023 1 421 109 109 MET N N 116.180 0.049 1 422 110 110 THR H H 8.276 0.006 1 423 110 110 THR CA C 66.355 0.005 1 424 110 110 THR CB C 68.742 0.061 1 425 110 110 THR N N 115.852 0.046 1 426 111 111 ASN H H 7.844 0.005 1 427 111 111 ASN CA C 55.866 0.037 1 428 111 111 ASN CB C 38.230 0.022 1 429 111 111 ASN N N 122.503 0.081 1 430 112 112 LEU H H 7.726 0.005 1 431 112 112 LEU CA C 55.142 0.057 1 432 112 112 LEU CB C 42.126 0.027 1 433 112 112 LEU N N 118.643 0.05 1 434 113 113 GLY H H 7.790 0.005 1 435 113 113 GLY CA C 45.447 0.061 1 436 113 113 GLY N N 106.908 0.067 1 437 114 114 GLU H H 7.871 0.005 1 438 114 114 GLU CA C 54.862 0.024 1 439 114 114 GLU CB C 30.567 0.055 1 440 114 114 GLU N N 119.934 0.206 1 441 115 115 LYS H H 8.561 0.007 1 442 115 115 LYS CA C 55.533 0.054 1 443 115 115 LYS CB C 32.015 0.044 1 444 115 115 LYS N N 124.285 0.091 1 445 116 116 LEU H H 8.009 0.004 1 446 116 116 LEU CA C 54.012 0.019 1 447 116 116 LEU CB C 44.634 0.002 1 448 116 116 LEU N N 124.807 0.039 1 449 117 117 THR H H 9.140 0.011 1 450 117 117 THR CA C 60.655 0.005 1 451 117 117 THR CB C 71.139 0.019 1 452 117 117 THR N N 114.467 0.056 1 453 118 118 ASP H H 8.863 0.007 1 454 118 118 ASP CA C 57.938 0.026 1 455 118 118 ASP CB C 39.683 0.015 1 456 118 118 ASP N N 121.106 0.049 1 457 119 119 GLU H H 8.635 0.003 1 458 119 119 GLU CA C 59.879 0.021 1 459 119 119 GLU CB C 29.061 0.046 1 460 119 119 GLU N N 119.058 0.047 1 461 120 120 GLU H H 7.707 0.004 1 462 120 120 GLU CA C 59.386 0.025 1 463 120 120 GLU CB C 30.484 0.053 1 464 120 120 GLU N N 120.557 0.056 1 465 121 121 VAL H H 7.958 0.008 1 466 121 121 VAL CA C 66.876 0.038 1 467 121 121 VAL CB C 31.293 0.072 1 468 121 121 VAL N N 120.420 0.068 1 469 122 122 ASP H H 8.001 0.005 1 470 122 122 ASP CA C 57.640 0.021 1 471 122 122 ASP CB C 40.479 0.002 1 472 122 122 ASP N N 119.494 0.058 1 473 123 123 GLU H H 7.982 0.004 1 474 123 123 GLU CA C 59.163 0.032 1 475 123 123 GLU CB C 29.385 0.052 1 476 123 123 GLU N N 119.429 0.113 1 477 124 124 MET H H 7.816 0.005 1 478 124 124 MET CA C 60.001 0.006 1 479 124 124 MET CB C 33.265 . 1 480 124 124 MET N N 119.465 0.003 1 481 125 125 ILE H H 7.888 0.008 1 482 125 125 ILE CA C 63.454 0.042 1 483 125 125 ILE CB C 36.087 0.032 1 484 125 125 ILE N N 118.458 0.055 1 485 126 126 ARG H H 8.313 0.003 1 486 126 126 ARG CA C 59.759 0.019 1 487 126 126 ARG CB C 30.099 . 1 488 126 126 ARG N N 118.392 0.047 1 489 127 127 GLU H H 7.947 0.01 1 490 127 127 GLU CA C 58.465 0.013 1 491 127 127 GLU CB C 29.508 0.045 1 492 127 127 GLU N N 116.161 0.087 1 493 128 128 ALA H H 7.261 0.006 1 494 128 128 ALA CA C 51.804 0.052 1 495 128 128 ALA CB C 21.428 0.057 1 496 128 128 ALA N N 118.475 0.05 1 497 129 129 ASP H H 7.910 0.004 1 498 129 129 ASP CA C 54.174 0.012 1 499 129 129 ASP CB C 40.512 0.037 1 500 129 129 ASP N N 117.939 0.081 1 501 130 130 ILE H H 8.276 0.01 1 502 130 130 ILE CA C 63.452 0.016 1 503 130 130 ILE CB C 38.611 0.034 1 504 130 130 ILE N N 127.799 0.065 1 505 131 131 ASP H H 8.340 0.004 1 506 131 131 ASP CA C 53.863 0.079 1 507 131 131 ASP CB C 39.924 0.002 1 508 131 131 ASP N N 116.688 0.027 1 509 132 132 GLY H H 7.604 0.005 1 510 132 132 GLY CA C 47.468 0.105 1 511 132 132 GLY N N 108.676 0.049 1 512 133 133 ASP H H 8.352 0.004 1 513 133 133 ASP CA C 53.641 0.064 1 514 133 133 ASP CB C 40.150 0.027 1 515 133 133 ASP N N 120.917 0.056 1 516 134 134 GLY H H 10.309 0.003 1 517 134 134 GLY CA C 45.836 0.021 1 518 134 134 GLY N N 112.837 0.045 1 519 135 135 GLN H H 7.951 0.004 1 520 135 135 GLN CA C 53.225 0.059 1 521 135 135 GLN CB C 32.309 0.037 1 522 135 135 GLN N N 115.198 0.046 1 523 136 136 VAL H H 9.119 0.004 1 524 136 136 VAL CA C 61.781 0.013 1 525 136 136 VAL CB C 33.802 0.018 1 526 136 136 VAL N N 125.578 0.071 1 527 137 137 ASN H H 9.569 0.007 1 528 137 137 ASN CA C 51.090 0.015 1 529 137 137 ASN CB C 38.359 0.023 1 530 137 137 ASN N N 129.181 0.048 1 531 138 138 TYR H H 8.384 0.003 1 532 138 138 TYR CA C 62.615 0.035 1 533 138 138 TYR CB C 37.613 0.04 1 534 138 138 TYR N N 118.582 0.069 1 535 139 139 GLU H H 8.071 0.006 1 536 139 139 GLU CA C 60.307 0.014 1 537 139 139 GLU CB C 28.957 . 1 538 139 139 GLU N N 118.516 0.051 1 539 140 140 GLU H H 8.733 0.005 1 540 140 140 GLU CA C 58.595 0.041 1 541 140 140 GLU CB C 29.663 . 1 542 140 140 GLU N N 119.904 0.035 1 543 141 141 PHE H H 8.749 0.008 1 544 141 141 PHE CA C 61.763 0.033 1 545 141 141 PHE CB C 39.922 0.029 1 546 141 141 PHE N N 124.209 0.065 1 547 142 142 VAL H H 8.642 0.006 1 548 142 142 VAL CA C 67.107 0.031 1 549 142 142 VAL CB C 31.407 0.062 1 550 142 142 VAL N N 119.419 0.065 1 551 143 143 GLN H H 7.531 0.006 1 552 143 143 GLN CA C 58.938 0.024 1 553 143 143 GLN N N 118.681 0.052 1 554 144 144 MET H H 7.567 0.006 1 555 144 144 MET CA C 57.689 . 1 556 144 144 MET CB C 32.144 . 1 557 144 144 MET N N 118.282 0.096 1 558 145 145 MET H H 7.773 0.006 1 559 145 145 MET CA C 55.532 0.046 1 560 145 145 MET CB C 33.785 0.06 1 561 145 145 MET N N 114.964 0.06 1 562 146 146 THR H H 7.538 0.007 1 563 146 146 THR CA C 62.037 0.002 1 564 146 146 THR CB C 70.312 0.078 1 565 146 146 THR N N 110.140 0.096 1 566 147 147 ALA H H 7.657 0.009 1 567 147 147 ALA CA C 52.945 0.067 1 568 147 147 ALA CB C 19.075 0.013 1 569 147 147 ALA N N 126.967 0.054 1 570 148 148 LYS H H 7.821 0.008 1 571 148 148 LYS CA C 57.456 . 1 572 148 148 LYS CB C 33.722 . 1 573 148 148 LYS N N 125.820 0.036 1 stop_ save_ save_assigned_chem_shift_list_2 _Saveframe_category assigned_chemical_shifts _Details . loop_ _Software_label $CcpNmr_Analysis stop_ loop_ _Experiment_label '2D 1H-15N HSQC/HMQC' '3D 1H-15N NOESY' '3D HNCA' '3D HNCACB' 'cf_HNcoCA (H[N[co[{CA|ca[C]}]]])' 'cf_HNcoCACB (H[N[co[{CA|ca[C]}]]])' '3D 1H-15N TOCSY' '3D HNCO' stop_ loop_ _Sample_label $15N $13C15N $13C15N_2 stop_ _Sample_conditions_label $cond _Chem_shift_reference_set_label $chemical_shift_reference_1 _Mol_system_component_name Fas47-83 _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 1 251 2 VAL HA H 4.141 . 1 2 251 2 VAL C C 176.269 . 1 3 251 2 VAL CA C 63.193 0.009 1 4 251 2 VAL CB C 32.562 . 1 5 252 3 GLN H H 8.425 0.003 1 6 252 3 GLN HA H 4.286 0.002 1 7 252 3 GLN C C 175.990 . 1 8 252 3 GLN CA C 56.559 0.024 1 9 252 3 GLN CB C 29.262 0.044 1 10 252 3 GLN N N 122.609 0.059 1 11 253 4 ASP H H 8.192 0.005 1 12 253 4 ASP HA H 4.621 . 1 13 253 4 ASP HB2 H 2.712 0.002 1 14 253 4 ASP HB3 H 2.712 0.002 1 15 253 4 ASP C C 176.980 . 1 16 253 4 ASP CA C 54.886 0.027 1 17 253 4 ASP CB C 41.240 0.025 1 18 253 4 ASP N N 121.434 0.035 1 19 254 5 THR H H 8.086 0.003 1 20 254 5 THR HA H 4.271 . 1 21 254 5 THR HG2 H 1.238 . 1 22 254 5 THR C C 175.280 . 1 23 254 5 THR CA C 62.761 0.017 1 24 254 5 THR CB C 69.734 0.029 1 25 254 5 THR N N 114.461 0.047 1 26 255 6 ALA H H 8.398 0.003 1 27 255 6 ALA HA H 4.196 0.001 1 28 255 6 ALA HB H 1.439 0.001 1 29 255 6 ALA C C 178.796 . 1 30 255 6 ALA CA C 54.182 0.029 1 31 255 6 ALA CB C 18.722 0.033 1 32 255 6 ALA N N 125.421 0.051 1 33 256 7 GLU H H 8.290 0.003 1 34 256 7 GLU HA H 4.153 0.001 1 35 256 7 GLU HB2 H 2.043 0.001 1 36 256 7 GLU HB3 H 2.043 0.001 1 37 256 7 GLU HG2 H 2.290 0.01 1 38 256 7 GLU C C 177.863 . 1 39 256 7 GLU CA C 58.146 0.033 1 40 256 7 GLU CB C 29.786 0.006 1 41 256 7 GLU N N 118.816 0.027 1 42 257 8 GLN H H 8.125 0.004 1 43 257 8 GLN HA H 4.189 0.001 1 44 257 8 GLN HB2 H 2.124 0.0 1 45 257 8 GLN HB3 H 2.124 0.0 1 46 257 8 GLN C C 177.712 . 1 47 257 8 GLN CA C 57.523 0.002 1 48 257 8 GLN CB C 28.909 . 1 49 257 8 GLN N N 119.985 0.037 1 50 258 9 LYS H H 8.226 0.009 1 51 258 9 LYS HA H 4.169 0.003 1 52 258 9 LYS HB2 H 1.946 . 1 53 258 9 LYS C C 177.786 . 1 54 258 9 LYS CA C 58.144 0.011 1 55 258 9 LYS N N 120.825 0.039 1 56 259 10 VAL H H 8.024 0.006 1 57 259 10 VAL HA H 3.819 0.003 1 58 259 10 VAL HB H 2.160 0.001 1 59 259 10 VAL C C 177.444 . 1 60 259 10 VAL CA C 64.982 0.049 1 61 259 10 VAL CB C 32.264 0.068 1 62 259 10 VAL N N 119.172 0.034 1 63 260 11 GLN H H 8.137 0.006 1 64 260 11 GLN HA H 4.073 0.008 1 65 260 11 GLN HB2 H 2.142 0.001 1 66 260 11 GLN HB3 H 2.142 0.001 1 67 260 11 GLN HG2 H 2.417 0.004 1 68 260 11 GLN C C 177.523 . 1 69 260 11 GLN CA C 57.925 0.011 1 70 260 11 GLN N N 121.111 0.037 1 71 261 12 LEU H H 7.982 0.005 1 72 261 12 LEU HA H 4.203 0.002 1 73 261 12 LEU HB2 H 1.649 0.001 1 74 261 12 LEU C C 178.758 . 1 75 261 12 LEU CA C 57.466 0.025 1 76 261 12 LEU CB C 42.187 0.011 1 77 261 12 LEU N N 120.564 0.077 1 78 262 13 LEU H H 7.879 0.005 1 79 262 13 LEU HA H 4.247 0.003 1 80 262 13 LEU C C 178.540 . 1 81 262 13 LEU CA C 57.171 . 1 82 262 13 LEU CB C 41.848 0.04 1 83 262 13 LEU N N 118.922 0.078 1 84 263 14 ARG H H 8.100 0.004 1 85 263 14 ARG HA H 4.175 0.004 1 86 263 14 ARG C C 177.847 . 1 87 263 14 ARG CA C 58.655 0.002 1 88 263 14 ARG N N 118.714 0.067 1 89 264 15 ASN H H 8.249 0.008 1 90 264 15 ASN HA H 4.623 0.0 1 91 264 15 ASN HB2 H 2.815 . 2 92 264 15 ASN HB3 H 2.887 . 2 93 264 15 ASN C C 176.517 . 1 94 264 15 ASN CA C 54.808 0.035 1 95 264 15 ASN CB C 38.629 . 1 96 264 15 ASN N N 117.732 0.031 1 97 265 16 TRP H H 8.070 0.004 1 98 265 16 TRP HA H 4.353 . 1 99 265 16 TRP HB2 H 3.337 . 1 100 265 16 TRP HB3 H 3.337 . 1 101 265 16 TRP HD1 H 7.284 . 1 102 265 16 TRP C C 179.383 . 1 103 265 16 TRP CA C 59.958 0.074 1 104 265 16 TRP N N 120.761 0.032 1 105 266 17 HIS H H 8.234 0.008 1 106 266 17 HIS HA H 4.325 0.001 1 107 266 17 HIS HB2 H 3.183 0.005 1 108 266 17 HIS C C 176.420 . 1 109 266 17 HIS CA C 58.163 . 1 110 266 17 HIS N N 117.585 0.118 1 111 267 18 GLN H H 8.054 0.004 1 112 267 18 GLN HA H 4.138 . 1 113 267 18 GLN C C 176.837 . 1 114 267 18 GLN CA C 57.196 . 1 115 267 18 GLN CB C 29.137 . 1 116 267 18 GLN N N 118.604 0.065 1 117 268 19 LEU H H 7.888 0.006 1 118 268 19 LEU HA H 4.166 0.002 1 119 268 19 LEU C C 177.243 . 1 120 268 19 LEU CA C 56.198 0.047 1 121 268 19 LEU CB C 42.271 0.008 1 122 268 19 LEU N N 119.826 0.047 1 123 269 20 HIS H H 8.088 0.008 1 124 269 20 HIS HA H 4.564 0.006 1 125 269 20 HIS HB2 H 2.915 . 2 126 269 20 HIS HB3 H 3.151 . 2 127 269 20 HIS C C 175.631 . 1 128 269 20 HIS CA C 56.606 0.036 1 129 269 20 HIS N N 117.499 0.067 1 130 270 21 GLY H H 8.250 0.006 1 131 270 21 GLY HA2 H 3.936 0.01 1 132 270 21 GLY C C 174.722 . 1 133 270 21 GLY CA C 45.816 0.057 1 134 270 21 GLY N N 109.089 0.047 1 135 271 22 LYS H H 8.299 0.005 1 136 271 22 LYS HA H 4.304 0.009 1 137 271 22 LYS C C 177.039 . 1 138 271 22 LYS CA C 56.900 0.037 1 139 271 22 LYS CB C 32.879 0.043 1 140 271 22 LYS N N 121.112 0.049 1 141 272 23 LYS H H 8.310 0.004 1 142 272 23 LYS HA H 4.206 0.001 1 143 272 23 LYS HB2 H 1.813 0.005 1 144 272 23 LYS C C 177.256 . 1 145 272 23 LYS CA C 57.879 0.006 1 146 272 23 LYS CB C 32.708 0.011 1 147 272 23 LYS N N 122.064 0.067 1 148 273 24 GLU H H 8.462 0.006 1 149 273 24 GLU HA H 4.230 0.001 1 150 273 24 GLU HB2 H 2.000 0.008 1 151 273 24 GLU HG2 H 2.269 0.001 1 152 273 24 GLU C C 177.691 . 1 153 273 24 GLU CA C 57.723 0.011 1 154 273 24 GLU CB C 29.876 . 1 155 273 24 GLU N N 120.332 0.059 1 156 274 25 ALA H H 8.212 0.01 1 157 274 25 ALA HA H 4.247 . 1 158 274 25 ALA HB H 1.426 0.001 1 159 274 25 ALA CA C 54.378 . 1 160 274 25 ALA CB C 18.976 . 1 161 274 25 ALA N N 123.911 0.083 1 162 275 26 TYR H H 8.209 0.006 1 163 275 26 TYR HA H 4.250 0.001 1 164 275 26 TYR HB2 H 3.024 0.01 1 165 275 26 TYR C C 176.921 . 1 166 275 26 TYR CA C 61.359 0.002 1 167 275 26 TYR CB C 40.224 . 1 168 275 26 TYR N N 117.976 0.058 1 169 276 27 ASP H H 8.401 0.006 1 170 276 27 ASP HA H 4.389 0.001 1 171 276 27 ASP HB2 H 2.661 0.004 2 172 276 27 ASP HB3 H 2.763 0.004 2 173 276 27 ASP C C 178.416 . 1 174 276 27 ASP CA C 56.916 0.053 1 175 276 27 ASP N N 119.182 0.109 1 176 277 28 THR H H 7.993 0.003 1 177 277 28 THR HA H 3.976 0.005 1 178 277 28 THR HB H 4.248 0.003 1 179 277 28 THR HG2 H 1.233 0.003 1 180 277 28 THR C C 175.216 . 1 181 277 28 THR CA C 65.515 0.059 1 182 277 28 THR CB C 72.945 . 1 183 277 28 THR N N 114.845 0.06 1 184 278 29 LEU H H 7.761 0.005 1 185 278 29 LEU HA H 4.198 . 1 186 278 29 LEU HB2 H 1.679 0.002 1 187 278 29 LEU CA C 57.717 0.027 1 188 278 29 LEU CB C 42.141 . 1 189 278 29 LEU N N 122.077 0.084 1 190 279 30 ILE HA H 3.786 . 1 191 279 30 ILE HD1 H 0.916 . 1 192 279 30 ILE C C 177.682 . 1 193 279 30 ILE CA C 63.742 . 1 194 279 30 ILE CB C 42.670 . 1 195 280 31 LYS H H 7.798 0.003 1 196 280 31 LYS HA H 4.007 0.006 1 197 280 31 LYS HB2 H 1.889 0.003 1 198 280 31 LYS HB3 H 1.889 0.003 1 199 280 31 LYS C C 178.632 . 1 200 280 31 LYS CA C 59.157 0.013 1 201 280 31 LYS CB C 32.428 . 1 202 280 31 LYS N N 120.421 0.12 1 203 281 32 ASP H H 8.218 0.005 1 204 281 32 ASP HA H 4.521 0.009 1 205 281 32 ASP HB2 H 2.672 . 2 206 281 32 ASP HB3 H 2.744 . 2 207 281 32 ASP CA C 56.392 0.054 1 208 281 32 ASP CB C 40.773 . 1 209 281 32 ASP N N 120.161 0.1 1 210 282 33 LEU C C 178.736 . 1 211 282 33 LEU CA C 57.027 0.013 1 212 282 33 LEU CB C 42.320 0.015 1 213 283 34 LYS H H 8.055 0.004 1 214 283 34 LYS HA H 4.134 0.003 1 215 283 34 LYS C C 177.825 . 1 216 283 34 LYS CA C 57.951 0.003 1 217 283 34 LYS CB C 32.480 . 1 218 283 34 LYS N N 118.862 0.04 1 219 284 35 LYS H H 7.785 0.005 1 220 284 35 LYS HA H 4.208 . 1 221 284 35 LYS HB2 H 1.879 0.004 1 222 284 35 LYS HB3 H 1.879 0.004 1 223 284 35 LYS C C 176.785 . 1 224 284 35 LYS CA C 57.206 0.064 1 225 284 35 LYS CB C 32.758 0.057 1 226 284 35 LYS N N 119.763 0.076 1 227 285 36 ALA H H 7.868 0.005 1 228 285 36 ALA HA H 4.235 0.003 1 229 285 36 ALA HB H 1.414 0.004 1 230 285 36 ALA C C 177.361 . 1 231 285 36 ALA CA C 52.881 0.01 1 232 285 36 ALA CB C 19.132 0.066 1 233 285 36 ALA N N 122.625 0.056 1 234 286 37 ASN H H 8.087 0.006 1 235 286 37 ASN HA H 4.264 0.008 1 236 286 37 ASN HB2 H 2.695 0.006 2 237 286 37 ASN HB3 H 2.867 . 2 238 286 37 ASN C C 174.007 . 1 239 286 37 ASN CA C 53.290 0.039 1 240 286 37 ASN CB C 39.036 0.018 1 241 286 37 ASN N N 117.185 0.057 1 242 287 38 LEU H H 7.657 0.005 1 243 287 38 LEU HA H 4.158 . 1 244 287 38 LEU HB2 H 1.597 . 1 245 287 38 LEU HB3 H 1.597 . 1 246 287 38 LEU HD1 H 0.863 . 1 247 287 38 LEU CA C 56.870 0.019 1 248 287 38 LEU CB C 43.427 . 1 249 287 38 LEU N N 127.331 0.071 1 stop_ save_