data_17367 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Assignments of Drosophila cytotoxic T-lymphocyte antigen 2 (CTLA-2) like protein, crammer at pH3 ; _BMRB_accession_number 17367 _BMRB_flat_file_name bmr17367.str _Entry_type original _Submission_date 2010-12-19 _Accession_date 2010-12-19 _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 Tzeng Tien-Sheng . . 2 Hsu 'Shang-Te Danny' . . 3 Lyu Ping-Chiang . . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 73 "13C chemical shifts" 224 "15N chemical shifts" 74 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2012-07-25 original author . stop_ _Original_release_date 2012-07-25 save_ ############################# # Citation for this entry # ############################# save_ref _Saveframe_category entry_citation _Citation_full . _Citation_title 'A Molten Globule-to-Ordered Structure Transition of Drosophila melanogaster Crammer Is Required for its Ability to Inhibit Cathepsin' _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 22150223 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Tseng Tien-Sheng . . 2 Cheng Chao-Sheng . . 3 Chen Dian-Jiun . . 4 Shih Min-Fang . . 5 Liu Yu-Nan . . 6 Hsu Shang-Te Danny . 7 Lyu Ping-Chiang . . stop_ _Journal_abbreviation 'Biochem. J.' _Journal_volume 442 _Journal_issue 3 _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 563 _Page_last 572 _Year 2012 _Details . save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name 'cytotoxic T-lymphocyte antigen_2 (CTLA-2) like protein, crammer' _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label 'C72S monomer' $C72S_monomer stop_ _System_molecular_weight . _System_physical_state unfolded _System_oligomer_state ? _System_paramagnetic no _System_thiol_state . _Database_query_date . _Details . save_ ######################## # Monomeric polymers # ######################## save_C72S_monomer _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common C72S_monomer _Molecular_mass . _Mol_thiol_state 'not available' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 80 _Mol_residue_sequence ; MMSLVSDEEWVEYKSKFDKN YEAEEDLMRRRIYAESKARI EEHNRKFEKGEVTWKMGINH LADLTPEEFAQRSGKKVPPN ; loop_ _Residue_seq_code _Residue_label 1 MET 2 MET 3 SER 4 LEU 5 VAL 6 SER 7 ASP 8 GLU 9 GLU 10 TRP 11 VAL 12 GLU 13 TYR 14 LYS 15 SER 16 LYS 17 PHE 18 ASP 19 LYS 20 ASN 21 TYR 22 GLU 23 ALA 24 GLU 25 GLU 26 ASP 27 LEU 28 MET 29 ARG 30 ARG 31 ARG 32 ILE 33 TYR 34 ALA 35 GLU 36 SER 37 LYS 38 ALA 39 ARG 40 ILE 41 GLU 42 GLU 43 HIS 44 ASN 45 ARG 46 LYS 47 PHE 48 GLU 49 LYS 50 GLY 51 GLU 52 VAL 53 THR 54 TRP 55 LYS 56 MET 57 GLY 58 ILE 59 ASN 60 HIS 61 LEU 62 ALA 63 ASP 64 LEU 65 THR 66 PRO 67 GLU 68 GLU 69 PHE 70 ALA 71 GLN 72 ARG 73 SER 74 GLY 75 LYS 76 LYS 77 VAL 78 PRO 79 PRO 80 ASN stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date 2015-11-11 loop_ _Database_name _Database_accession_code _Database_entry_mol_name _Sequence_query_to_submitted_percentage _Sequence_subject_length _Sequence_identity _Sequence_positive _Sequence_homology_expectation_value BMRB 16719 Crammer 100.00 80 100.00 100.00 1.14e-50 PDB 2L95 "Solution Structure Of Cytotoxic T-Lymphocyte Antigent-2(Ctla Protein), Crammer At Ph 6.0" 100.00 80 100.00 100.00 1.14e-50 GB AAF57567 "crammer [Drosophila melanogaster]" 98.75 79 98.73 98.73 3.78e-49 GB ACJ13252 "LP06209p [Drosophila melanogaster]" 98.75 79 98.73 98.73 3.78e-49 GB EDV55205 "uncharacterized protein Dere_GG20910 [Drosophila erecta]" 97.50 79 97.44 98.72 7.38e-48 GB EDW48595 "GM19834 [Drosophila sechellia]" 98.75 79 98.73 98.73 3.78e-49 GB EDX07811 "GD25324 [Drosophila simulans]" 98.75 79 98.73 98.73 3.78e-49 REF NP_611420 "crammer [Drosophila melanogaster]" 98.75 79 98.73 98.73 3.78e-49 REF XP_001974805 "GG20910 [Drosophila erecta]" 97.50 79 97.44 98.72 7.38e-48 REF XP_002034582 "GM19834 [Drosophila sechellia]" 98.75 79 98.73 98.73 3.78e-49 REF XP_002082226 "GD25324 [Drosophila simulans]" 98.75 79 98.73 98.73 3.78e-49 stop_ save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species $C72S_monomer 'fruit fly' 7227 Eukaryota Metazoa Drosophila melanogaster 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 $C72S_monomer 'recombinant technology' . Escherichia coli . pAED4 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 $C72S_monomer 0.5 mM '[U-98% 13C; U-98% 15N]' stop_ save_ ############################ # Computer software used # ############################ save_SPARKY_and_NMRpipe _Saveframe_category software _Name SPARKY_and_NMRpipe _Version . loop_ _Vendor _Address _Electronic_address 'Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax' . . Goddard . . stop_ loop_ _Task 'chemical shift assignment' processing stop_ _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Varian _Model INOVA _Field_strength 700 _Details . save_ ############################# # NMR applied experiments # ############################# save_3D_HNCACB_1 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCACB' _Sample_label $sample_1 save_ save_3D_HBHA(CO)NH_2 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HBHA(CO)NH' _Sample_label $sample_1 save_ save_3D_HNCO_3 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCO' _Sample_label $sample_1 save_ save_3D_HCACO_4 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HCACO' _Sample_label $sample_1 save_ save_2D_1H-15N_HSQC_5 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-15N HSQC' _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 3 . 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 . . . 0.251449530 water H 1 protons ppm 4.773 internal direct . . . 1 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 '3D HNCACB' '3D HBHA(CO)NH' '3D HNCO' '3D HCACO' '2D 1H-15N HSQC' 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 'C72S monomer' _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 MET C C 172.122 . . 2 1 1 MET CA C 55.064 . 1 3 1 1 MET CB C 33.472 . 1 4 2 2 MET H H 8.775 . 1 5 2 2 MET C C 175.460 . . 6 2 2 MET CA C 55.671 . 1 7 2 2 MET CB C 33.152 . 1 8 2 2 MET N N 123.740 . 1 9 3 3 SER H H 8.467 . 1 10 3 3 SER C C 174.175 . . 11 3 3 SER CA C 58.050 . 1 12 3 3 SER CB C 63.812 . 1 13 3 3 SER N N 118.287 . 1 14 4 4 LEU H H 8.382 . 1 15 4 4 LEU C C 177.431 . . 16 4 4 LEU CA C 55.391 . 1 17 4 4 LEU CB C 42.364 . 1 18 4 4 LEU N N 124.779 . 1 19 5 5 VAL H H 8.059 . 1 20 5 5 VAL C C 176.324 . . 21 5 5 VAL CA C 62.604 . 1 22 5 5 VAL CB C 32.718 . 1 23 5 5 VAL N N 120.319 . 1 24 6 6 SER H H 8.244 . 1 25 6 6 SER C C 174.659 . . 26 6 6 SER CA C 58.474 . 1 27 6 6 SER CB C 63.793 . 1 28 6 6 SER N N 118.795 . 1 29 7 7 ASP H H 8.419 . 1 30 7 7 ASP C C 175.951 . . 31 7 7 ASP CA C 54.015 . 1 32 7 7 ASP CB C 38.799 . 1 33 7 7 ASP N N 121.357 . 1 34 8 8 GLU H H 8.270 . 1 35 8 8 GLU C C 176.754 . . 36 8 8 GLU CA C 57.019 . 1 37 8 8 GLU CB C 28.335 . 1 38 8 8 GLU N N 120.099 . 1 39 9 9 GLU H H 8.186 . 1 40 9 9 GLU C C 176.724 . . 41 9 9 GLU CA C 57.299 . 1 42 9 9 GLU CB C 28.439 . 1 43 9 9 GLU N N 119.760 . 1 44 10 10 TRP H H 7.988 . 1 45 10 10 TRP C C 176.751 . . 46 10 10 TRP CA C 58.362 . 1 47 10 10 TRP CB C 29.362 . 1 48 10 10 TRP N N 120.796 . 1 49 11 11 VAL H H 7.795 . 1 50 11 11 VAL C C 176.903 . . 51 11 11 VAL CA C 63.989 . 1 52 11 11 VAL CB C 32.429 . 1 53 11 11 VAL N N 120.157 . 1 54 12 12 GLU H H 8.026 . 1 55 12 12 GLU C C 176.666 . . 56 12 12 GLU CA C 57.023 . 1 57 12 12 GLU CB C 28.678 . 1 58 12 12 GLU N N 121.247 . 1 59 13 13 TYR H H 8.022 . 1 60 13 13 TYR C C 176.265 . . 61 13 13 TYR CA C 57.244 . 1 62 13 13 TYR CB C 39.611 . 1 63 13 13 TYR N N 120.580 . 1 64 14 14 LYS H H 8.069 . 1 65 14 14 LYS C C 177.159 . . 66 14 14 LYS CA C 57.270 . 1 67 14 14 LYS CB C 32.500 . 1 68 14 14 LYS N N 121.125 . 1 69 15 15 SER H H 8.015 . 1 70 15 15 SER C C 175.000 . . 71 15 15 SER CA C 59.042 . 1 72 15 15 SER CB C 63.620 . 1 73 15 15 SER N N 115.026 . 1 74 16 16 LYS H H 7.947 . 1 75 16 16 LYS C C 176.598 . . 76 16 16 LYS CA C 57.279 . 1 77 16 16 LYS CB C 32.584 . 1 78 16 16 LYS N N 121.812 . 1 79 17 17 PHE H H 7.930 . 1 80 17 17 PHE C C 175.656 . . 81 17 17 PHE CA C 57.876 . 1 82 17 17 PHE CB C 39.438 . 1 83 17 17 PHE N N 118.882 . 1 84 18 18 ASP H H 8.083 . 1 85 18 18 ASP C C 176.048 . . 86 18 18 ASP CA C 53.723 . 1 87 18 18 ASP CB C 39.833 . 1 88 18 18 ASP N N 120.566 . 1 89 19 19 LYS H H 8.340 . 1 90 19 19 LYS C C 177.187 . . 91 19 19 LYS CA C 57.771 . 1 92 19 19 LYS CB C 32.542 . 1 93 19 19 LYS N N 122.185 . 1 94 20 20 ASN H H 8.314 . 1 95 20 20 ASN C C 175.774 . . 96 20 20 ASN CA C 54.001 . 1 97 20 20 ASN CB C 38.455 . 1 98 20 20 ASN N N 118.358 . 1 99 21 21 TYR H H 7.977 . 1 100 21 21 TYR C C 176.747 . . 101 21 21 TYR CA C 60.040 . 1 102 21 21 TYR CB C 38.382 . 1 103 21 21 TYR N N 121.274 . 1 104 22 22 GLU H H 8.192 . 1 105 22 22 GLU C C 177.305 . . 106 22 22 GLU CA C 57.781 . 1 107 22 22 GLU CB C 28.333 . 1 108 22 22 GLU N N 120.095 . 1 109 23 23 ALA H H 8.013 . 1 110 23 23 ALA C C 179.774 . . 111 23 23 ALA CA C 54.273 . 1 112 23 23 ALA CB C 18.442 . 1 113 23 23 ALA N N 122.627 . 1 114 24 24 GLU H H 8.040 . 1 115 24 24 GLU C C 178.048 . . 116 24 24 GLU CA C 57.928 . 1 117 24 24 GLU CB C 28.084 . 1 118 24 24 GLU N N 118.575 . 1 119 25 25 GLU H H 8.246 . 1 120 25 25 GLU C C 177.817 . . 121 25 25 GLU CA C 58.177 . 1 122 25 25 GLU CB C 28.391 . 1 123 25 25 GLU N N 119.932 . 1 124 26 26 ASP H H 8.182 . 1 125 26 26 ASP C C 177.370 . . 126 26 26 ASP CA C 56.042 . 1 127 26 26 ASP CB C 39.633 . 1 128 26 26 ASP N N 119.407 . 1 129 27 27 LEU H H 7.850 . 1 130 27 27 LEU C C 179.084 . . 131 27 27 LEU CA C 57.629 . 1 132 27 27 LEU CB C 41.868 . 1 133 27 27 LEU N N 120.851 . 1 134 28 28 MET H H 8.011 . 1 135 28 28 MET C C 177.918 . . 136 28 28 MET CA C 57.548 . 1 137 28 28 MET CB C 32.025 . 1 138 28 28 MET N N 118.441 . 1 139 29 29 ARG H H 8.049 . 1 140 29 29 ARG C C 178.029 . . 141 29 29 ARG CA C 58.537 . 1 142 29 29 ARG CB C 30.207 . 1 143 29 29 ARG N N 119.439 . 1 144 30 30 ARG H H 7.985 . 1 145 30 30 ARG C C 177.865 . . 146 30 30 ARG CA C 58.276 . 1 147 30 30 ARG CB C 30.429 . 1 148 30 30 ARG N N 119.365 . 1 149 31 31 ARG H H 8.054 . 1 150 31 31 ARG C C 177.424 . . 151 31 31 ARG CA C 57.990 . 1 152 31 31 ARG CB C 30.570 . 1 153 31 31 ARG N N 121.268 . 1 154 32 32 ILE C C 177.714 . . 155 32 32 ILE CA C 62.948 . 1 156 32 32 ILE CB C 24.748 . 1 157 32 32 ILE N N 120.588 . 1 158 33 33 TYR H H 8.158 . 1 159 33 33 TYR C C 177.078 . . 160 33 33 TYR CA C 59.347 . 1 161 33 33 TYR CB C 38.377 . 1 162 33 33 TYR N N 122.660 . 1 163 34 34 ALA H H 8.132 . 1 164 34 34 ALA C C 179.014 . . 165 34 34 ALA CA C 53.714 . 1 166 34 34 ALA CB C 18.822 . 1 167 34 34 ALA N N 123.447 . 1 168 35 35 GLU H H 8.188 . 1 169 35 35 GLU C C 177.206 . . 170 35 35 GLU CA C 56.969 . 1 171 35 35 GLU CB C 28.808 . 1 172 35 35 GLU N N 118.746 . 1 173 36 36 SER H H 8.160 . 1 174 36 36 SER C C 175.307 . . 175 36 36 SER CA C 59.567 . 1 176 36 36 SER CB C 63.397 . 1 177 36 36 SER N N 116.477 . 1 178 37 37 LYS H H 8.091 . 1 179 37 37 LYS C C 177.098 . . 180 37 37 LYS CA C 57.311 . 1 181 37 37 LYS CB C 32.463 . 1 182 37 37 LYS N N 122.666 . 1 183 38 38 ALA H H 7.984 . 1 184 38 38 ALA C C 178.428 . . 185 38 38 ALA CA C 53.394 . 1 186 38 38 ALA CB C 18.860 . 1 187 38 38 ALA N N 122.953 . 1 188 39 39 ARG H H 8.031 . 1 189 39 39 ARG C C 177.183 . . 190 39 39 ARG CA C 57.010 . 1 191 39 39 ARG CB C 30.529 . 1 192 39 39 ARG N N 119.442 . 1 193 40 40 ILE H H 8.000 . 1 194 40 40 ILE C C 176.837 . . 195 40 40 ILE CA C 62.143 . 1 196 40 40 ILE CB C 38.554 . 1 197 40 40 ILE N N 121.719 . 1 198 41 41 GLU H H 8.291 . 1 199 41 41 GLU C C 176.605 . . 200 41 41 GLU CA C 56.529 . 1 201 41 41 GLU CB C 29.042 . 1 202 41 41 GLU N N 123.071 . 1 203 42 42 GLU H H 8.210 . 1 204 42 42 GLU C C 176.480 . . 205 42 42 GLU CA C 56.572 . 1 206 42 42 GLU CB C 28.841 . 1 207 42 42 GLU N N 120.804 . 1 208 43 43 HIS H H 8.429 . 1 209 43 43 HIS C C 174.482 . . 210 43 43 HIS CA C 55.912 . 1 211 43 43 HIS CB C 28.657 . 1 212 43 43 HIS N N 118.774 . 1 213 44 44 ASN H H 8.415 . 1 214 44 44 ASN C C 175.386 . . 215 44 44 ASN CA C 53.587 . 1 216 44 44 ASN CB C 38.716 . 1 217 44 44 ASN N N 119.263 . 1 218 45 45 ARG H H 8.237 . 1 219 45 45 ARG C C 176.271 . . 220 45 45 ARG CA C 56.691 . 1 221 45 45 ARG CB C 30.683 . 1 222 45 45 ARG N N 121.498 . 1 223 46 46 LYS H H 8.175 . 1 224 46 46 LYS C C 176.050 . . 225 46 46 LYS CA C 56.122 . 1 226 46 46 LYS CB C 33.078 . 1 227 46 46 LYS N N 121.724 . 1 228 47 47 PHE H H 8.086 . 1 229 47 47 PHE C C 175.761 . . 230 47 47 PHE CA C 57.800 . 1 231 47 47 PHE CB C 39.563 . 1 232 47 47 PHE N N 120.849 . 1 233 48 48 GLU H H 8.076 . 1 234 48 48 GLU C C 175.662 . . 235 48 48 GLU CA C 55.604 . 1 236 48 48 GLU CB C 29.486 . 1 237 48 48 GLU N N 122.286 . 1 238 49 49 LYS H H 8.314 . 1 239 49 49 LYS C C 176.991 . . 240 49 49 LYS CA C 56.847 . 1 241 49 49 LYS CB C 32.917 . 1 242 49 49 LYS N N 122.581 . 1 243 50 50 GLY H H 8.397 . 1 244 50 50 GLY C C 174.963 . . 245 50 50 GLY CA C 45.238 . 1 246 50 50 GLY N N 109.989 . 1 247 51 51 GLU H H 8.089 . 1 248 51 51 GLU C C 176.125 . . 249 51 51 GLU CA C 55.848 . 1 250 51 51 GLU CB C 29.288 . 1 251 51 51 GLU N N 120.058 . 1 252 52 52 VAL H H 8.204 . 1 253 52 52 VAL C C 176.293 . . 254 52 52 VAL CA C 62.444 . 1 255 52 52 VAL CB C 32.661 . 1 256 52 52 VAL N N 121.363 . 1 257 53 53 THR H H 8.038 . 1 258 53 53 THR C C 174.296 . . 259 53 53 THR CA C 61.932 . 1 260 53 53 THR CB C 69.714 . 1 261 53 53 THR N N 117.341 . 1 262 54 54 TRP H H 8.033 . 1 263 54 54 TRP C C 175.937 . . 264 54 54 TRP CA C 57.229 . 1 265 54 54 TRP CB C 29.627 . 1 266 54 54 TRP N N 123.471 . 1 267 55 55 LYS H H 7.989 . 1 268 55 55 LYS C C 176.009 . . 269 55 55 LYS CA C 56.309 . 1 270 55 55 LYS CB C 33.196 . 1 271 55 55 LYS N N 122.797 . 1 272 56 56 MET H H 8.097 . 1 273 56 56 MET C C 176.739 . . 274 56 56 MET CA C 55.790 . 1 275 56 56 MET CB C 32.869 . 1 276 56 56 MET N N 121.042 . 1 277 57 57 GLY H H 8.314 . 1 278 57 57 GLY C C 174.018 . . 279 57 57 GLY CA C 45.306 . 1 280 57 57 GLY N N 109.988 . 1 281 58 58 ILE H H 7.931 . 1 282 58 58 ILE C C 175.907 . . 283 58 58 ILE CA C 61.197 . 1 284 58 58 ILE CB C 38.751 . 1 285 58 58 ILE N N 119.527 . 1 286 59 59 ASN H H 8.411 . 1 287 59 59 ASN C C 174.989 . . 288 59 59 ASN CA C 53.098 . 1 289 59 59 ASN CB C 38.696 . 1 290 59 59 ASN N N 121.811 . 1 291 60 60 HIS H H 8.436 . 1 292 60 60 HIS C C 175.649 . . 293 60 60 HIS CA C 55.629 . 1 294 60 60 HIS CB C 28.733 . 1 295 60 60 HIS N N 120.591 . 1 296 61 61 LEU H H 8.198 . 1 297 61 61 LEU CA C 55.423 . 1 298 61 61 LEU CB C 42.213 . 1 299 61 61 LEU N N 122.907 . 1 300 62 62 ALA H H 8.173 . 1 301 62 62 ALA C C 177.214 . . 302 62 62 ALA CA C 52.565 . 1 303 62 62 ALA CB C 19.288 . 1 304 62 62 ALA N N 123.869 . 1 305 63 63 ASP H H 8.229 . 1 306 63 63 ASP C C 175.171 . . 307 63 63 ASP CA C 53.224 . 1 308 63 63 ASP CB C 38.856 . 1 309 63 63 ASP N N 118.035 . 1 310 64 64 LEU H H 8.092 . 1 311 64 64 LEU C C 177.339 . . 312 64 64 LEU CA C 54.980 . 1 313 64 64 LEU CB C 42.583 . 1 314 64 64 LEU N N 122.309 . 1 315 65 65 THR H H 8.059 . 1 316 65 65 THR C C 173.181 . . 317 65 65 THR CA C 60.109 . 1 318 65 65 THR CB C 69.089 . 1 319 65 65 THR N N 115.795 . 1 320 67 67 GLU C C 178.479 . . 321 67 67 GLU CA C 53.523 . 1 322 67 67 GLU CB C 28.926 . 1 323 68 68 GLU H H 8.037 . 1 324 68 68 GLU C C 176.965 . . 325 68 68 GLU CA C 56.939 . 1 326 68 68 GLU CB C 28.819 . 1 327 68 68 GLU N N 118.219 . 1 328 69 69 PHE H H 8.306 . 1 329 69 69 PHE C C 176.450 . . 330 69 69 PHE CA C 58.912 . 1 331 69 69 PHE CB C 39.345 . 1 332 69 69 PHE N N 120.221 . 1 333 70 70 ALA H H 8.107 . 1 334 70 70 ALA C C 178.241 . . 335 70 70 ALA CA C 53.341 . 1 336 70 70 ALA CB C 18.886 . 1 337 70 70 ALA N N 123.698 . 1 338 71 71 GLN H H 8.082 . 1 339 71 71 GLN C C 176.699 . . 340 71 71 GLN CA C 56.497 . 1 341 71 71 GLN CB C 29.119 . 1 342 71 71 GLN N N 118.374 . 1 343 72 72 ARG H H 8.159 . 1 344 72 72 ARG C C 176.576 . . 345 72 72 ARG CA C 56.629 . 1 346 72 72 ARG CB C 30.644 . 1 347 72 72 ARG N N 120.910 . 1 348 73 73 SER H H 8.163 . 1 349 73 73 SER C C 174.962 . . 350 73 73 SER CA C 58.583 . 1 351 73 73 SER CB C 63.823 . 1 352 73 73 SER N N 115.940 . 1 353 74 74 GLY H H 8.283 . 1 354 74 74 GLY C C 173.890 . . 355 74 74 GLY CA C 45.298 . 1 356 74 74 GLY N N 111.789 . 1 357 75 75 LYS H H 8.054 . 1 358 75 75 LYS C C 176.329 . . 359 75 75 LYS CA C 56.049 . 1 360 75 75 LYS CB C 33.226 . 1 361 75 75 LYS N N 120.730 . 1 362 76 76 LYS H H 8.366 . 1 363 76 76 LYS C C 176.243 . . 364 76 76 LYS CA C 56.075 . 1 365 76 76 LYS CB C 32.972 . 1 366 76 76 LYS N N 123.297 . 1 367 77 77 VAL H H 8.215 . 1 368 77 77 VAL C C 173.990 . . 369 77 77 VAL CA C 59.720 . 1 370 77 77 VAL CB C 33.110 . 1 371 77 77 VAL N N 123.614 . 1 stop_ save_