data_27555 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Backbone assignment of Rip2Card ; _BMRB_accession_number 27555 _BMRB_flat_file_name bmr27555.str _Entry_type original _Submission_date 2018-07-24 _Accession_date 2018-07-24 _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 Wallmann Arndt . . 2 Oschkinat Hartmut . . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 63 "13C chemical shifts" 185 "15N chemical shifts" 63 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2018-11-15 original BMRB . stop_ _Original_release_date 2018-07-24 save_ ############################# # Citation for this entry # ############################# save_citations_1 _Saveframe_category entry_citation _Citation_full . _Citation_title ; RIP2 filament formation is required for NOD2 dependent NF-B signalling ; _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 30279485 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Pellegrini Erika . . 2 Desfosses Ambroise . . 3 Wallmann Arndt . . 4 Schulze Wiebke M. . 5 Rehbein Kristina . . 6 Mas Philippe . . 7 Signor Luca . . 8 Gaudon Stephanie . . 9 Zenkeviciute Grasilda . . 10 Malet Helene . . 11 Gutsche Irina . . 12 Sachse Carsten . . 13 Schoehn Guy . . 14 Oschkinat Hartmut . . 15 Cusack Stephen . . stop_ _Journal_abbreviation 'Nat. Commun.' _Journal_volume 9 _Journal_issue 1 _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 4043 _Page_last 4043 _Year 2018 _Details . save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name Rip2Card _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label 'CARD domain' $Rip2Card stop_ _System_molecular_weight 12248.0952 _System_physical_state native _System_oligomer_state ? _System_paramagnetic no _System_thiol_state 'all free' _Database_query_date . _Details . save_ ######################## # Monomeric polymers # ######################## save_Rip2Card _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common Rip2Card _Molecular_mass 12248.0952 _Mol_thiol_state 'free and disulfide bound' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 107 _Mol_residue_sequence ; AIAQQWIQSKREDIVNQMTE ACLNQSLDALLSRDLIMKED YELVSTKPTRTSKVRQLLDT TDIQGEEFAKVIVQKLKDNK QMGLQPYPEILVVSRSPSLN LLQNKSM ; loop_ _Residue_seq_code _Residue_label 1 ALA 2 ILE 3 ALA 4 GLN 5 GLN 6 TRP 7 ILE 8 GLN 9 SER 10 LYS 11 ARG 12 GLU 13 ASP 14 ILE 15 VAL 16 ASN 17 GLN 18 MET 19 THR 20 GLU 21 ALA 22 CYS 23 LEU 24 ASN 25 GLN 26 SER 27 LEU 28 ASP 29 ALA 30 LEU 31 LEU 32 SER 33 ARG 34 ASP 35 LEU 36 ILE 37 MET 38 LYS 39 GLU 40 ASP 41 TYR 42 GLU 43 LEU 44 VAL 45 SER 46 THR 47 LYS 48 PRO 49 THR 50 ARG 51 THR 52 SER 53 LYS 54 VAL 55 ARG 56 GLN 57 LEU 58 LEU 59 ASP 60 THR 61 THR 62 ASP 63 ILE 64 GLN 65 GLY 66 GLU 67 GLU 68 PHE 69 ALA 70 LYS 71 VAL 72 ILE 73 VAL 74 GLN 75 LYS 76 LEU 77 LYS 78 ASP 79 ASN 80 LYS 81 GLN 82 MET 83 GLY 84 LEU 85 GLN 86 PRO 87 TYR 88 PRO 89 GLU 90 ILE 91 LEU 92 VAL 93 VAL 94 SER 95 ARG 96 SER 97 PRO 98 SER 99 LEU 100 ASN 101 LEU 102 LEU 103 GLN 104 ASN 105 LYS 106 SER 107 MET stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date . save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species $Rip2Card 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 $Rip2Card 'recombinant technology' 'Escherichia coli' Escherichia coli 'BL21 star' pETM40 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Saveframe_category sample _Sample_type solid _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $Rip2Card 2 mg '[U-100% 13C; U-100% 15N; 100% D2O]' 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 'chemical shift assignment' collection processing stop_ _Details 'The CCPN NMR assignment and data analysis application' save_ save_Biospin _Saveframe_category software _Name 'Bruker Biospin' _Version . loop_ _Vendor _Address _Electronic_address 'Bruker Biospin' . . stop_ loop_ _Task 'chemical shift assignment' collection processing 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_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_AV800 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model Avance _Field_strength 800 _Details . save_ ############################# # NMR applied experiments # ############################# save_3D_(H)CANH_1 _Saveframe_category NMR_applied_experiment _Experiment_name '3D (H)CANH' _Sample_label $sample_1 save_ save_3D_(HCO)CA(CO)NH_2 _Saveframe_category NMR_applied_experiment _Experiment_name '3D (HCO)CA(CO)NH' _Sample_label $sample_1 save_ save_3D_(HCA)CB(CA)NH_3 _Saveframe_category NMR_applied_experiment _Experiment_name '3D (HCA)CB(CA)NH' _Sample_label $sample_1 save_ save_3D_(HCA)CB(CACO)NH_4 _Saveframe_category NMR_applied_experiment _Experiment_name '3D (HCA)CB(CACO)NH' _Sample_label $sample_1 save_ save_3D_(H)CONH_5 _Saveframe_category NMR_applied_experiment _Experiment_name '3D (H)CONH' _Sample_label $sample_1 save_ save_3D_(H)CO(CA)NH_6 _Saveframe_category NMR_applied_experiment _Experiment_name '3D (H)CO(CA)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 pH 8 . pH temperature 295 . 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 _Saveframe_category assigned_chemical_shifts _Details . loop_ _Software_label $CcpNmr_Analysis stop_ loop_ _Experiment_label '3D (H)CANH' '3D (HCO)CA(CO)NH' '3D (HCA)CB(CA)NH' '3D (HCA)CB(CACO)NH' '3D (H)CONH' '3D (H)CO(CA)NH' 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 'CARD 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 6 6 TRP H H 8.526 . 1 2 6 6 TRP N N 123.720 . 1 3 7 7 ILE C C 173.876 . 1 4 7 7 ILE CA C 61.133 . 1 5 8 8 GLN H H 7.577 0.019 1 6 8 8 GLN C C 175.758 0.01 1 7 8 8 GLN CA C 56.013 0.069 1 8 8 8 GLN CB C 24.908 . 1 9 8 8 GLN N N 117.101 0.145 1 10 9 9 SER H H 8.067 0.014 1 11 9 9 SER C C 172.387 . 1 12 9 9 SER CA C 57.963 . 1 13 9 9 SER CB C 60.347 . 1 14 9 9 SER N N 113.321 0.081 1 15 10 10 LYS H H 7.462 0.021 1 16 10 10 LYS C C 173.096 0.008 1 17 10 10 LYS CA C 50.529 . 1 18 10 10 LYS CB C 27.408 . 1 19 10 10 LYS N N 119.721 0.211 1 20 11 11 ARG H H 7.203 0.011 1 21 11 11 ARG C C 173.263 0.07 1 22 11 11 ARG CA C 57.728 0.078 1 23 11 11 ARG CB C 27.873 . 1 24 11 11 ARG N N 122.694 0.106 1 25 12 12 GLU H H 8.060 0.046 1 26 12 12 GLU C C 174.232 0.046 1 27 12 12 GLU CA C 56.428 0.066 1 28 12 12 GLU CB C 27.271 0.064 1 29 12 12 GLU N N 112.447 0.176 1 30 13 13 ASP H H 7.209 0.013 1 31 13 13 ASP C C 174.587 0.004 1 32 13 13 ASP CA C 53.581 0.013 1 33 13 13 ASP CB C 38.231 0.017 1 34 13 13 ASP N N 116.647 0.086 1 35 14 14 ILE H H 8.494 0.016 1 36 14 14 ILE C C 174.807 . 1 37 14 14 ILE CA C 63.271 . 1 38 14 14 ILE CB C 34.717 . 1 39 14 14 ILE N N 120.313 0.117 1 40 18 18 MET C C 173.002 . 1 41 19 19 THR H H 9.019 0.027 1 42 19 19 THR C C 171.851 0.108 1 43 19 19 THR CA C 58.462 0.18 1 44 19 19 THR CB C 67.894 0.044 1 45 19 19 THR N N 118.798 0.069 1 46 20 20 GLU H H 9.306 0.015 1 47 20 20 GLU C C 174.602 0.015 1 48 20 20 GLU CA C 57.298 0.009 1 49 20 20 GLU CB C 26.433 0.051 1 50 20 20 GLU N N 120.244 0.214 1 51 21 21 ALA H H 8.597 0.02 1 52 21 21 ALA C C 176.196 0.028 1 53 21 21 ALA CA C 51.865 0.019 1 54 21 21 ALA CB C 15.962 . 1 55 21 21 ALA N N 116.910 0.143 1 56 22 22 CYS H H 7.512 0.01 1 57 22 22 CYS C C 173.813 0.033 1 58 22 22 CYS CA C 59.554 0.078 1 59 22 22 CYS N N 122.609 0.101 1 60 23 23 LEU H H 8.295 0.026 1 61 23 23 LEU C C 174.991 . 1 62 23 23 LEU CA C 55.239 0.023 1 63 23 23 LEU CB C 37.214 0.055 1 64 23 23 LEU N N 125.612 0.063 1 65 24 24 ASN H H 8.597 0.017 1 66 24 24 ASN C C 174.166 . 1 67 24 24 ASN CA C 52.816 0.038 1 68 24 24 ASN CB C 34.503 0.032 1 69 24 24 ASN N N 118.365 0.122 1 70 25 25 GLN H H 8.658 0.026 1 71 25 25 GLN C C 175.620 . 1 72 25 25 GLN CA C 55.976 0.022 1 73 25 25 GLN CB C 26.914 . 1 74 25 25 GLN N N 119.754 0.077 1 75 26 26 SER H H 8.204 0.016 1 76 26 26 SER C C 172.142 . 1 77 26 26 SER CA C 60.851 0.031 1 78 26 26 SER CB C 59.660 0.073 1 79 26 26 SER N N 117.024 0.108 1 80 27 27 LEU H H 7.866 0.011 1 81 27 27 LEU C C 175.100 0.007 1 82 27 27 LEU CA C 55.228 . 1 83 27 27 LEU CB C 38.134 0.081 1 84 27 27 LEU N N 120.655 0.079 1 85 28 28 ASP H H 8.659 0.013 1 86 28 28 ASP C C 175.238 0.022 1 87 28 28 ASP CA C 55.143 . 1 88 28 28 ASP CB C 37.944 . 1 89 28 28 ASP N N 118.571 0.045 1 90 29 29 ALA H H 8.162 0.025 1 91 29 29 ALA C C 176.985 0.032 1 92 29 29 ALA CA C 51.570 0.042 1 93 29 29 ALA CB C 15.967 0.079 1 94 29 29 ALA N N 123.451 0.057 1 95 30 30 LEU H H 8.060 0.019 1 96 30 30 LEU C C 176.539 0.002 1 97 30 30 LEU CA C 54.938 0.025 1 98 30 30 LEU CB C 39.185 0.011 1 99 30 30 LEU N N 120.012 0.121 1 100 31 31 LEU H H 8.725 0.007 1 101 31 31 LEU C C 178.059 0.014 1 102 31 31 LEU CA C 54.845 0.011 1 103 31 31 LEU CB C 39.479 0.038 1 104 31 31 LEU N N 121.757 0.09 1 105 32 32 SER H H 8.355 0.011 1 106 32 32 SER C C 172.416 0.019 1 107 32 32 SER CA C 58.309 0.0 1 108 32 32 SER CB C 60.942 0.057 1 109 32 32 SER N N 117.194 0.058 1 110 33 33 ARG H H 7.037 0.018 1 111 33 33 ARG C C 171.319 0.037 1 112 33 33 ARG CA C 52.158 0.066 1 113 33 33 ARG CB C 28.057 0.035 1 114 33 33 ARG N N 117.754 0.036 1 115 34 34 ASP H H 8.113 0.015 1 116 34 34 ASP C C 172.253 0.029 1 117 34 34 ASP CA C 52.121 0.031 1 118 34 34 ASP CB C 37.086 0.013 1 119 34 34 ASP N N 118.955 0.106 1 120 35 35 LEU H H 8.343 0.02 1 121 35 35 LEU C C 172.333 0.0 1 122 35 35 LEU CA C 52.180 0.006 1 123 35 35 LEU CB C 41.590 0.07 1 124 35 35 LEU N N 114.844 0.083 1 125 36 36 ILE H H 6.800 0.007 1 126 36 36 ILE C C 169.772 0.019 1 127 36 36 ILE CA C 53.795 0.022 1 128 36 36 ILE CB C 39.202 0.003 1 129 36 36 ILE N N 114.122 0.079 1 130 37 37 MET H H 9.863 0.022 1 131 37 37 MET C C 174.965 . 1 132 37 37 MET CA C 53.237 0.032 1 133 37 37 MET CB C 30.433 . 1 134 37 37 MET N N 127.860 0.039 1 135 38 38 LYS H H 8.923 0.04 1 136 38 38 LYS C C 175.294 0.063 1 137 38 38 LYS CA C 57.414 0.032 1 138 38 38 LYS CB C 26.866 . 1 139 38 38 LYS N N 125.454 0.081 1 140 39 39 GLU H H 9.387 0.015 1 141 39 39 GLU C C 174.580 0.001 1 142 39 39 GLU CA C 56.317 0.013 1 143 39 39 GLU CB C 25.654 0.048 1 144 39 39 GLU N N 117.528 0.078 1 145 40 40 ASP H H 6.656 0.007 1 146 40 40 ASP C C 175.750 0.011 1 147 40 40 ASP CA C 54.979 0.013 1 148 40 40 ASP CB C 37.659 0.053 1 149 40 40 ASP N N 118.122 0.084 1 150 41 41 TYR H H 8.332 0.029 1 151 41 41 TYR C C 174.396 0.02 1 152 41 41 TYR CA C 57.627 0.049 1 153 41 41 TYR CB C 34.025 0.063 1 154 41 41 TYR N N 123.023 0.047 1 155 42 42 GLU H H 8.886 0.015 1 156 42 42 GLU C C 176.149 0.002 1 157 42 42 GLU CA C 56.172 0.026 1 158 42 42 GLU CB C 26.505 0.064 1 159 42 42 GLU N N 123.349 0.121 1 160 43 43 LEU H H 8.387 0.011 1 161 43 43 LEU C C 176.002 0.005 1 162 43 43 LEU CA C 54.488 0.01 1 163 43 43 LEU CB C 39.748 0.061 1 164 43 43 LEU N N 120.424 0.07 1 165 44 44 VAL H H 7.443 0.013 1 166 44 44 VAL C C 173.403 0.016 1 167 44 44 VAL CA C 63.452 0.097 1 168 44 44 VAL CB C 28.804 0.068 1 169 44 44 VAL N N 116.695 0.067 1 170 45 45 SER H H 7.883 0.013 1 171 45 45 SER C C 171.996 . 1 172 45 45 SER CA C 58.271 0.018 1 173 45 45 SER CB C 60.948 0.09 1 174 45 45 SER N N 109.324 0.024 1 175 46 46 THR H H 7.497 0.011 1 176 46 46 THR C C 172.583 0.006 1 177 46 46 THR CA C 58.262 0.008 1 178 46 46 THR CB C 66.977 0.097 1 179 46 46 THR N N 107.111 0.074 1 180 47 47 LYS H H 7.068 0.01 1 181 47 47 LYS C C 173.143 . 1 182 47 47 LYS CA C 50.556 . 1 183 47 47 LYS CB C 26.437 . 1 184 47 47 LYS N N 123.879 0.102 1 185 48 48 PRO C C 174.048 . 1 186 48 48 PRO CA C 62.041 . 1 187 48 48 PRO CB C 29.587 . 1 188 49 49 THR H H 6.833 0.006 1 189 49 49 THR C C 170.071 0.02 1 190 49 49 THR CA C 54.758 0.0 1 191 49 49 THR CB C 69.708 . 1 192 49 49 THR N N 104.247 0.025 1 193 50 50 ARG H H 8.906 0.009 1 194 50 50 ARG C C 174.571 0.049 1 195 50 50 ARG CA C 57.179 0.04 1 196 50 50 ARG CB C 25.617 . 1 197 50 50 ARG N N 124.653 0.14 1 198 51 51 THR H H 9.057 0.004 1 199 51 51 THR C C 172.250 . 1 200 51 51 THR CA C 65.272 . 1 201 51 51 THR CB C 66.639 . 1 202 51 51 THR N N 113.766 0.067 1 203 52 52 SER H H 8.083 0.012 1 204 52 52 SER C C 175.544 0.003 1 205 52 52 SER CA C 58.450 0.064 1 206 52 52 SER CB C 60.305 0.033 1 207 52 52 SER N N 114.258 0.108 1 208 53 53 LYS H H 8.479 0.013 1 209 53 53 LYS C C 175.063 0.009 1 210 53 53 LYS CA C 57.507 0.019 1 211 53 53 LYS CB C 31.504 0.035 1 212 53 53 LYS N N 126.215 0.117 1 213 54 54 VAL H H 8.281 0.016 1 214 54 54 VAL C C 175.242 0.0 1 215 54 54 VAL CA C 63.647 0.101 1 216 54 54 VAL CB C 28.485 . 1 217 54 54 VAL N N 118.824 0.083 1 218 55 55 ARG H H 8.756 0.011 1 219 55 55 ARG C C 174.211 0.031 1 220 55 55 ARG CA C 58.266 0.039 1 221 55 55 ARG CB C 26.870 0.007 1 222 55 55 ARG N N 118.431 0.014 1 223 56 56 GLN H H 8.134 0.013 1 224 56 56 GLN C C 176.175 0.006 1 225 56 56 GLN CA C 55.073 0.037 1 226 56 56 GLN CB C 24.019 0.052 1 227 56 56 GLN N N 118.262 0.081 1 228 57 57 LEU H H 8.603 0.01 1 229 57 57 LEU C C 176.921 0.014 1 230 57 57 LEU CA C 55.384 0.001 1 231 57 57 LEU CB C 37.507 0.057 1 232 57 57 LEU N N 124.504 0.135 1 233 58 58 LEU H H 8.944 0.009 1 234 58 58 LEU C C 176.499 0.052 1 235 58 58 LEU CA C 55.355 . 1 236 58 58 LEU CB C 36.026 0.006 1 237 58 58 LEU N N 123.701 0.119 1 238 59 59 ASP H H 9.221 0.016 1 239 59 59 ASP C C 176.188 . 1 240 59 59 ASP CA C 54.242 0.021 1 241 59 59 ASP CB C 36.464 0.024 1 242 59 59 ASP N N 123.475 0.142 1 243 60 60 THR H H 8.008 0.018 1 244 60 60 THR C C 171.825 . 1 245 60 60 THR CA C 63.901 0.021 1 246 60 60 THR CB C 65.840 0.093 1 247 60 60 THR N N 117.340 0.094 1 248 61 61 THR H H 8.265 0.023 1 249 61 61 THR C C 171.606 0.066 1 250 61 61 THR CA C 63.974 . 1 251 61 61 THR CB C 65.498 . 1 252 61 61 THR N N 120.346 0.057 1 253 62 62 ASP H H 7.401 0.007 1 254 62 62 ASP C C 175.530 . 1 255 62 62 ASP CA C 53.736 . 1 256 62 62 ASP CB C 39.079 . 1 257 62 62 ASP N N 117.401 0.088 1 258 63 63 ILE H H 6.807 0.006 1 259 63 63 ILE CA C 59.296 . 1 260 63 63 ILE N N 115.088 0.017 1 261 64 64 GLN H H 8.013 . 1 262 64 64 GLN N N 117.207 . 1 263 65 65 GLY H H 7.881 . 1 264 65 65 GLY C C 171.206 . 1 265 65 65 GLY CA C 42.292 . 1 266 65 65 GLY N N 104.368 . 1 267 66 66 GLU H H 8.355 0.014 1 268 66 66 GLU C C 174.868 0.001 1 269 66 66 GLU CA C 55.877 0.052 1 270 66 66 GLU CB C 27.423 0.066 1 271 66 66 GLU N N 120.740 0.118 1 272 67 67 GLU H H 8.709 0.015 1 273 67 67 GLU C C 175.153 0.036 1 274 67 67 GLU CA C 56.579 0.003 1 275 67 67 GLU CB C 25.783 0.063 1 276 67 67 GLU N N 118.190 0.028 1 277 68 68 PHE H H 7.749 0.013 1 278 68 68 PHE C C 173.759 0.01 1 279 68 68 PHE CA C 56.664 0.033 1 280 68 68 PHE CB C 37.573 0.059 1 281 68 68 PHE N N 120.477 0.121 1 282 69 69 ALA H H 8.053 0.017 1 283 69 69 ALA C C 175.876 0.057 1 284 69 69 ALA CA C 52.143 0.008 1 285 69 69 ALA CB C 15.362 0.01 1 286 69 69 ALA N N 118.447 0.06 1 287 70 70 LYS H H 8.809 0.013 1 288 70 70 LYS C C 175.607 0.055 1 289 70 70 LYS CA C 57.419 0.081 1 290 70 70 LYS CB C 29.701 0.056 1 291 70 70 LYS N N 116.744 0.145 1 292 71 71 VAL H H 7.187 0.01 1 293 71 71 VAL C C 174.099 0.018 1 294 71 71 VAL CA C 63.074 0.105 1 295 71 71 VAL CB C 28.476 0.056 1 296 71 71 VAL N N 118.526 0.13 1 297 72 72 ILE H H 6.958 0.014 1 298 72 72 ILE C C 174.614 0.027 1 299 72 72 ILE CA C 61.563 0.028 1 300 72 72 ILE CB C 34.520 . 1 301 72 72 ILE N N 118.304 0.106 1 302 73 73 VAL H H 8.181 0.018 1 303 73 73 VAL C C 173.767 0.031 1 304 73 73 VAL CA C 64.362 . 1 305 73 73 VAL CB C 28.252 0.063 1 306 73 73 VAL N N 117.291 0.115 1 307 74 74 GLN H H 7.921 0.023 1 308 74 74 GLN C C 174.607 . 1 309 74 74 GLN CA C 55.736 . 1 310 74 74 GLN CB C 25.072 . 1 311 74 74 GLN N N 117.519 0.134 1 stop_ save_