data_15766 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; human calpastatin Domain 1 ; _BMRB_accession_number 15766 _BMRB_flat_file_name bmr15766.str _Entry_type original _Submission_date 2008-05-09 _Accession_date 2008-05-09 _Entry_origination author _NMR_STAR_version 2.1.1 _Experimental_method NMR _Details 'NMR assignment and relaxation parameters of hCSD1 an intrinsically unstructured protein' loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Kiss Robert . . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 T1_relaxation 1 T2_relaxation 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 249 "13C chemical shifts" 256 "15N chemical shifts" 122 "T1 relaxation values" 90 "T2 relaxation values" 90 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2008-06-30 original author . stop_ _Original_release_date 2008-06-30 save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full . _Citation_title 'Local Structural Preferences of Calpastatin, the Intrinsically Unstructured Protein Inhibitor of Calpain' _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 18537264 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Kiss Robert . . 2 Kovacs D. . . 3 Tompa P. . . 4 Perczel Andras . . stop_ _Journal_abbreviation Biochemistry _Journal_volume 47 _Journal_issue 26 _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 6936 _Page_last 6945 _Year 2008 _Details . save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name hCSD1 _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label hCSD1 $hCSD1 stop_ _System_molecular_weight . _System_physical_state native _System_oligomer_state ? _System_paramagnetic no _System_thiol_state . _Database_query_date . _Details . save_ ######################## # Monomeric polymers # ######################## save_hCSD1 _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common hCSD1 _Molecular_mass . _Mol_thiol_state 'all free' loop_ _Biological_function 'specific inhibitor of Calpain' stop_ _Details 'The molecule is an intrinsically unstructured protein.' ############################## # Polymer residue sequence # ############################## _Residue_count 141 _Mol_residue_sequence ; AVPVESKPDKPSGKSGMDAA LDDLIDTLGGPEETEEENTT YTGPEVSDPMSSTYIEELGK REVTIPPKYRELLAKKEGIT GPPADSSKPIGPDDAIDALS SDFTCGSPTAAGKKTEKEES TEVLKAQSAGTVRSAAPPQE K ; loop_ _Residue_seq_code _Residue_label 1 ALA 2 VAL 3 PRO 4 VAL 5 GLU 6 SER 7 LYS 8 PRO 9 ASP 10 LYS 11 PRO 12 SER 13 GLY 14 LYS 15 SER 16 GLY 17 MET 18 ASP 19 ALA 20 ALA 21 LEU 22 ASP 23 ASP 24 LEU 25 ILE 26 ASP 27 THR 28 LEU 29 GLY 30 GLY 31 PRO 32 GLU 33 GLU 34 THR 35 GLU 36 GLU 37 GLU 38 ASN 39 THR 40 THR 41 TYR 42 THR 43 GLY 44 PRO 45 GLU 46 VAL 47 SER 48 ASP 49 PRO 50 MET 51 SER 52 SER 53 THR 54 TYR 55 ILE 56 GLU 57 GLU 58 LEU 59 GLY 60 LYS 61 ARG 62 GLU 63 VAL 64 THR 65 ILE 66 PRO 67 PRO 68 LYS 69 TYR 70 ARG 71 GLU 72 LEU 73 LEU 74 ALA 75 LYS 76 LYS 77 GLU 78 GLY 79 ILE 80 THR 81 GLY 82 PRO 83 PRO 84 ALA 85 ASP 86 SER 87 SER 88 LYS 89 PRO 90 ILE 91 GLY 92 PRO 93 ASP 94 ASP 95 ALA 96 ILE 97 ASP 98 ALA 99 LEU 100 SER 101 SER 102 ASP 103 PHE 104 THR 105 CYS 106 GLY 107 SER 108 PRO 109 THR 110 ALA 111 ALA 112 GLY 113 LYS 114 LYS 115 THR 116 GLU 117 LYS 118 GLU 119 GLU 120 SER 121 THR 122 GLU 123 VAL 124 LEU 125 LYS 126 ALA 127 GLN 128 SER 129 ALA 130 GLY 131 THR 132 VAL 133 ARG 134 SER 135 ALA 136 ALA 137 PRO 138 PRO 139 GLN 140 GLU 141 LYS stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date 2015-10-28 loop_ _Database_name _Database_accession_code _Database_entry_mol_name _Sequence_query_to_submitted_percentage _Sequence_subject_length _Sequence_identity _Sequence_positive _Sequence_homology_expectation_value DBJ BAH14064 "unnamed protein product [Homo sapiens]" 88.65 346 100.00 100.00 7.34e-78 GB AAA52753 "calpastatin, partial [Chlorocebus aethiops]" 100.00 283 97.87 98.58 3.51e-90 GB AAA52759 "calpastatin [Homo sapiens]" 100.00 317 100.00 100.00 1.61e-91 GB AAB59398 "calpastatin, partial [Homo sapiens]" 100.00 283 100.00 100.00 7.88e-92 SP P49342 "RecName: Full=Calpastatin; AltName: Full=Calpain inhibitor" 100.00 283 97.87 98.58 3.51e-90 stop_ save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species $hCSD1 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 $hCSD1 'recombinant technology' . Escherichia coli . pEThCSD1 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 $hCSD1 1 mM '[U-99% 13C; U-99% 15N]' stop_ save_ ############################ # Computer software used # ############################ save_SPARKY _Saveframe_category software _Name SPARKY _Version . loop_ _Vendor _Address _Electronic_address Goddard . . 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 DRX _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_3D_HNCA_2 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCA' _Sample_label $sample_1 save_ save_3D_HN(CO)CA_3 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HN(CO)CA' _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_ save_3D_C(CO)NH_6 _Saveframe_category NMR_applied_experiment _Experiment_name '3D C(CO)NH' _Sample_label $sample_1 save_ save_3D_1H-15N_TOCSY_7 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-15N TOCSY' _Sample_label $sample_1 save_ save_3D_1H-15N_NOESY_8 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-15N NOESY' _Sample_label $sample_1 save_ save_3D_HNCO_9 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCO' _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' 10 . M pH 6.07 . 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 DSS C 13 'methyl protons' ppm 0.00 . indirect . . . 0.251449530 DSS H 1 'methyl protons' ppm 0.00 internal direct . . . 1.000000000 DSS N 15 'methyl protons' ppm 0.00 . 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 $SPARKY stop_ loop_ _Experiment_label '2D 1H-15N HSQC' '3D HNCACB' '3D 1H-15N TOCSY' '3D HNCO' 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 hCSD1 _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 ALA C C 176.7 0.1 1 2 1 1 ALA CA C 51.7 0.1 1 3 2 2 VAL H H 8.42 0.01 1 4 2 2 VAL CA C 60.1 0.1 1 5 2 2 VAL N N 120.3 0.1 1 6 3 3 PRO C C 176.8 0.1 1 7 3 3 PRO CA C 62.7 0.1 1 8 4 4 VAL H H 8.24 0.01 1 9 4 4 VAL HA H 4.07 0.01 1 10 4 4 VAL C C 176.3 0.1 1 11 4 4 VAL CA C 62.7 0.1 1 12 4 4 VAL N N 120.6 0.1 1 13 5 5 GLU H H 8.51 0.01 1 14 5 5 GLU HA H 4.33 0.01 1 15 5 5 GLU C C 176.2 0.1 1 16 5 5 GLU CA C 56.4 0.1 1 17 5 5 GLU N N 124.6 0.1 1 18 6 6 SER H H 8.36 0.01 1 19 6 6 SER HA H 4.44 0.01 1 20 6 6 SER C C 174.0 0.1 1 21 6 6 SER CA C 58.1 0.1 1 22 6 6 SER N N 117.7 0.1 1 23 7 7 LYS H H 8.38 0.01 1 24 7 7 LYS HA H 4.66 0.01 1 25 7 7 LYS CA C 54.1 0.1 1 26 7 7 LYS N N 124.3 0.1 1 27 8 8 PRO C C 176.9 0.1 1 28 8 8 PRO CA C 63.1 0.1 1 29 9 9 ASP H H 8.43 0.01 1 30 9 9 ASP HA H 4.54 0.01 1 31 9 9 ASP C C 175.8 0.1 1 32 9 9 ASP CA C 54.3 0.1 1 33 9 9 ASP N N 120.3 0.1 1 34 10 10 LYS H H 8.12 0.01 1 35 10 10 LYS HA H 4.63 0.01 1 36 10 10 LYS CA C 53.9 0.1 1 37 10 10 LYS N N 121.6 0.1 1 38 11 11 PRO C C 177.1 0.1 1 39 11 11 PRO CA C 63.3 0.1 1 40 12 12 SER H H 8.47 0.01 1 41 12 12 SER HA H 4.45 0.01 1 42 12 12 SER C C 175.2 0.1 1 43 12 12 SER CA C 58.5 0.1 1 44 12 12 SER N N 116.1 0.1 1 45 13 13 GLY H H 8.42 0.01 1 46 13 13 GLY HA2 H 3.98 0.01 2 47 13 13 GLY HA3 H 3.98 0.01 2 48 13 13 GLY C C 174.1 0.1 1 49 13 13 GLY CA C 45.4 0.1 1 50 13 13 GLY N N 110.5 0.1 1 51 14 14 LYS H H 8.24 0.01 1 52 14 14 LYS HA H 4.39 0.01 1 53 14 14 LYS C C 176.8 0.1 1 54 14 14 LYS CA C 56.3 0.1 1 55 14 14 LYS N N 120.6 0.1 1 56 15 15 SER H H 8.46 0.01 1 57 15 15 SER HA H 4.49 0.01 1 58 15 15 SER C C 175.1 0.1 1 59 15 15 SER CA C 58.6 0.1 1 60 15 15 SER N N 116.9 0.1 1 61 16 16 GLY H H 8.49 0.01 1 62 16 16 GLY HA2 H 3.99 0.01 2 63 16 16 GLY HA3 H 3.99 0.01 2 64 16 16 GLY C C 174.4 0.1 1 65 16 16 GLY CA C 45.5 0.1 1 66 16 16 GLY N N 110.5 0.1 1 67 17 17 MET H H 8.21 0.01 1 68 17 17 MET HA H 4.49 0.01 1 69 17 17 MET C C 176.1 0.1 1 70 17 17 MET CA C 55.8 0.1 1 71 17 17 MET N N 119.5 0.1 1 72 18 18 ASP H H 8.33 0.01 1 73 18 18 ASP HA H 4.56 0.01 1 74 18 18 ASP C C 176.1 0.1 1 75 18 18 ASP CA C 54.5 0.1 1 76 18 18 ASP N N 120.9 0.1 1 77 19 19 ALA H H 8.14 0.01 1 78 19 19 ALA HA H 4.28 0.01 1 79 19 19 ALA C C 177.4 0.1 1 80 19 19 ALA CA C 52.7 0.1 1 81 19 19 ALA N N 124.3 0.1 1 82 20 20 ALA H H 8.24 0.01 1 83 20 20 ALA HA H 4.29 0.01 1 84 20 20 ALA C C 178.0 0.1 1 85 20 20 ALA CA C 52.7 0.1 1 86 20 20 ALA N N 122.3 0.1 1 87 21 21 LEU H H 8.09 0.01 1 88 21 21 LEU HA H 4.31 0.01 1 89 21 21 LEU C C 177.4 0.1 1 90 21 21 LEU CA C 55.4 0.1 1 91 21 21 LEU N N 120.6 0.1 1 92 22 22 ASP H H 8.15 0.01 1 93 22 22 ASP HA H 4.56 0.01 1 94 22 22 ASP C C 176.0 0.1 1 95 22 22 ASP CA C 55.0 0.1 1 96 22 22 ASP N N 119.8 0.1 1 97 23 23 ASP H H 8.14 0.01 1 98 23 23 ASP HA H 4.56 0.01 1 99 23 23 ASP CA C 54.7 0.1 1 100 23 23 ASP N N 119.8 0.1 1 101 24 24 LEU H H 8.06 0.01 1 102 24 24 LEU HA H 4.34 0.01 1 103 24 24 LEU C C 177.1 0.1 1 104 24 24 LEU CA C 55.3 0.1 1 105 24 24 LEU N N 121.4 0.1 1 106 25 25 ILE H H 8.02 0.01 1 107 25 25 ILE HA H 4.14 0.01 1 108 25 25 ILE C C 176.1 0.1 1 109 25 25 ILE CA C 61.5 0.1 1 110 25 25 ILE N N 121.1 0.1 1 111 26 26 ASP H H 8.37 0.01 1 112 26 26 ASP HA H 4.67 0.01 1 113 26 26 ASP C C 176.5 0.1 1 114 26 26 ASP CA C 54.5 0.1 1 115 26 26 ASP N N 123.7 0.1 1 116 27 27 THR H H 8.07 0.01 1 117 27 27 THR HA H 4.31 0.01 1 118 27 27 THR C C 174.8 0.1 1 119 27 27 THR CA C 62.0 0.1 1 120 27 27 THR N N 114.1 0.1 1 121 28 28 LEU H H 8.24 0.01 1 122 28 28 LEU HA H 4.38 0.01 1 123 28 28 LEU C C 177.9 0.1 1 124 28 28 LEU CA C 55.5 0.1 1 125 28 28 LEU N N 123.9 0.1 1 126 29 29 GLY H H 8.35 0.01 1 127 29 29 GLY HA2 H 3.97 0.01 2 128 29 29 GLY HA3 H 3.97 0.01 2 129 29 29 GLY C C 174.3 0.1 1 130 29 29 GLY CA C 45.3 0.1 1 131 29 29 GLY N N 109.3 0.1 1 132 30 30 GLY H H 8.14 0.01 1 133 30 30 GLY HA2 H 4.12 0.01 2 134 30 30 GLY HA3 H 4.12 0.01 2 135 30 30 GLY CA C 44.5 0.1 1 136 30 30 GLY N N 108.7 0.1 1 137 31 31 PRO C C 177.2 0.1 1 138 31 31 PRO CA C 63.3 0.1 1 139 32 32 GLU H H 8.60 0.01 1 140 32 32 GLU HA H 4.27 0.01 1 141 32 32 GLU C C 176.5 0.1 1 142 32 32 GLU CA C 56.7 0.1 1 143 32 32 GLU N N 120.8 0.1 1 144 33 33 GLU H H 8.49 0.01 1 145 33 33 GLU HA H 4.30 0.01 1 146 33 33 GLU C C 176.5 0.1 1 147 33 33 GLU CA C 56.5 0.1 1 148 33 33 GLU N N 122.1 0.1 1 149 34 34 THR H H 8.21 0.01 1 150 34 34 THR HA H 4.38 0.01 1 151 34 34 THR C C 174.5 0.1 1 152 34 34 THR CA C 61.8 0.1 1 153 34 34 THR N N 115.2 0.1 1 154 35 35 GLU H H 8.48 0.01 1 155 35 35 GLU HA H 4.33 0.01 1 156 35 35 GLU C C 176.6 0.1 1 157 35 35 GLU CA C 56.7 0.1 1 158 35 35 GLU N N 123.2 0.1 1 159 36 36 GLU H H 8.49 0.01 1 160 36 36 GLU HA H 4.29 0.01 1 161 36 36 GLU C C 176.5 0.1 1 162 36 36 GLU CA C 56.8 0.1 1 163 36 36 GLU N N 122.3 0.1 1 164 37 37 GLU H H 8.43 0.01 1 165 37 37 GLU HA H 4.28 0.01 1 166 37 37 GLU C C 176.2 0.1 1 167 37 37 GLU CA C 56.6 0.1 1 168 37 37 GLU N N 122.4 0.1 1 169 38 38 ASN H H 8.54 0.01 1 170 38 38 ASN HA H 4.77 0.01 1 171 38 38 ASN C C 175.5 0.1 1 172 38 38 ASN CA C 53.4 0.1 1 173 38 38 ASN N N 120.1 0.1 1 174 39 39 THR H H 8.22 0.01 1 175 39 39 THR HA H 4.38 0.01 1 176 39 39 THR C C 174.7 0.1 1 177 39 39 THR CA C 62.2 0.1 1 178 39 39 THR N N 114.8 0.1 1 179 40 40 THR H H 8.17 0.01 1 180 40 40 THR HA H 4.31 0.01 1 181 40 40 THR C C 174.0 0.1 1 182 40 40 THR CA C 62.2 0.1 1 183 40 40 THR N N 116.8 0.1 1 184 41 41 TYR H H 8.34 0.01 1 185 41 41 TYR HA H 4.61 0.01 1 186 41 41 TYR C C 175.8 0.1 1 187 41 41 TYR CA C 58.2 0.1 1 188 41 41 TYR N N 123.9 0.1 1 189 42 42 THR H H 8.09 0.01 1 190 42 42 THR HA H 4.31 0.01 1 191 42 42 THR CA C 61.4 0.1 1 192 42 42 THR N N 117.4 0.1 1 193 44 44 PRO C C 177.2 0.1 1 194 44 44 PRO CA C 63.2 0.1 1 195 45 45 GLU H H 8.66 0.01 1 196 45 45 GLU HA H 4.29 0.01 1 197 45 45 GLU C C 176.7 0.1 1 198 45 45 GLU CA C 56.9 0.1 1 199 45 45 GLU N N 121.0 0.1 1 200 46 46 VAL H H 8.13 0.01 1 201 46 46 VAL HA H 4.16 0.01 1 202 46 46 VAL C C 176.0 0.1 1 203 46 46 VAL CA C 62.3 0.1 1 204 46 46 VAL N N 120.7 0.1 1 205 47 47 SER H H 8.29 0.01 1 206 47 47 SER HA H 4.45 0.01 1 207 47 47 SER C C 173.7 0.1 1 208 47 47 SER CA C 58.2 0.1 1 209 47 47 SER N N 118.9 0.1 1 210 48 48 ASP H H 8.28 0.01 1 211 48 48 ASP HA H 4.88 0.01 1 212 48 48 ASP CA C 52.1 0.1 1 213 48 48 ASP N N 123.2 0.1 1 214 49 49 PRO C C 177.4 0.1 1 215 49 49 PRO CA C 63.8 0.1 1 216 50 50 MET H H 8.42 0.01 1 217 50 50 MET HA H 4.48 0.01 1 218 50 50 MET C C 176.9 0.1 1 219 50 50 MET CA C 55.5 0.1 1 220 50 50 MET N N 117.7 0.1 1 221 51 51 SER H H 8.03 0.01 1 222 51 51 SER HA H 4.43 0.01 1 223 51 51 SER C C 174.7 0.1 1 224 51 51 SER CA C 58.7 0.1 1 225 51 51 SER N N 115.8 0.1 1 226 52 52 SER H H 8.36 0.01 1 227 52 52 SER HA H 4.45 0.01 1 228 52 52 SER C C 175.1 0.1 1 229 52 52 SER CA C 59.2 0.1 1 230 52 52 SER N N 117.7 0.1 1 231 53 53 THR H H 8.05 0.01 1 232 53 53 THR HA H 4.28 0.01 1 233 53 53 THR C C 174.4 0.1 1 234 53 53 THR CA C 62.6 0.1 1 235 53 53 THR N N 115.2 0.1 1 236 54 54 TYR H H 8.01 0.01 1 237 54 54 TYR HA H 4.51 0.01 1 238 54 54 TYR C C 175.8 0.1 1 239 54 54 TYR CA C 58.8 0.1 1 240 54 54 TYR N N 122.8 0.1 1 241 55 55 ILE H H 7.89 0.01 1 242 55 55 ILE HA H 3.98 0.01 1 243 55 55 ILE C C 176.4 0.1 1 244 55 55 ILE CA C 61.6 0.1 1 245 55 55 ILE N N 122.8 0.1 1 246 56 56 GLU H H 8.26 0.01 1 247 56 56 GLU HA H 4.12 0.01 1 248 56 56 GLU C C 177.1 0.1 1 249 56 56 GLU CA C 57.5 0.1 1 250 56 56 GLU N N 124.2 0.1 1 251 57 57 GLU H H 8.32 0.01 1 252 57 57 GLU HA H 4.22 0.01 1 253 57 57 GLU C C 177.1 0.1 1 254 57 57 GLU CA C 57.5 0.1 1 255 57 57 GLU N N 121.6 0.1 1 256 58 58 LEU H H 8.16 0.01 1 257 58 58 LEU HA H 4.21 0.01 1 258 58 58 LEU C C 178.5 0.1 1 259 58 58 LEU CA C 55.8 0.1 1 260 58 58 LEU N N 122.3 0.1 1 261 59 59 GLY H H 8.32 0.01 1 262 59 59 GLY HA2 H 3.92 0.01 2 263 59 59 GLY HA3 H 3.92 0.01 2 264 59 59 GLY C C 174.4 0.1 1 265 59 59 GLY CA C 45.7 0.1 1 266 59 59 GLY N N 108.2 0.1 1 267 60 60 LYS H H 7.92 0.01 1 268 60 60 LYS HA H 4.31 0.01 1 269 60 60 LYS C C 176.6 0.1 1 270 60 60 LYS CA C 56.5 0.1 1 271 60 60 LYS N N 120.1 0.1 1 272 61 61 ARG H H 8.19 0.01 1 273 61 61 ARG HA H 4.34 0.01 1 274 61 61 ARG CA C 56.4 0.1 1 275 61 61 ARG N N 121.4 0.1 1 276 62 62 GLU CA C 56.4 0.1 1 277 63 63 VAL H H 8.20 0.01 1 278 63 63 VAL HA H 4.19 0.01 1 279 63 63 VAL C C 176.1 0.1 1 280 63 63 VAL CA C 62.3 0.1 1 281 63 63 VAL N N 121.0 0.1 1 282 64 64 THR H H 8.24 0.01 1 283 64 64 THR HA H 4.33 0.01 1 284 64 64 THR C C 174.0 0.1 1 285 64 64 THR CA C 62.1 0.1 1 286 64 64 THR N N 118.7 0.1 1 287 65 65 ILE H H 8.24 0.01 1 288 65 65 ILE HA H 4.46 0.01 1 289 65 65 ILE CA C 58.5 0.1 1 290 65 65 ILE N N 125.6 0.1 1 291 67 67 PRO C C 177.3 0.1 1 292 67 67 PRO CA C 63.7 0.1 1 293 68 68 LYS H H 8.35 0.01 1 294 68 68 LYS HA H 4.18 0.01 1 295 68 68 LYS C C 176.9 0.1 1 296 68 68 LYS CA C 57.1 0.1 1 297 68 68 LYS N N 119.3 0.1 1 298 69 69 TYR H H 7.98 0.01 1 299 69 69 TYR HA H 4.53 0.01 1 300 69 69 TYR C C 176.2 0.1 1 301 69 69 TYR CA C 58.4 0.1 1 302 69 69 TYR N N 119.6 0.1 1 303 70 70 ARG H H 8.06 0.01 1 304 70 70 ARG CA C 57.4 0.1 1 305 70 70 ARG N N 121.4 0.1 1 306 71 71 GLU H H 8.28 0.01 1 307 71 71 GLU HA H 4.18 0.01 1 308 71 71 GLU C C 177.0 0.1 1 309 71 71 GLU CA C 57.4 0.1 1 310 71 71 GLU N N 120.6 0.1 1 311 72 72 LEU H H 8.04 0.01 1 312 72 72 LEU HA H 4.26 0.01 1 313 72 72 LEU CA C 55.9 0.1 1 314 72 72 LEU N N 122.0 0.1 1 315 73 73 LEU H H 8.00 0.01 1 316 73 73 LEU HA H 4.26 0.01 1 317 73 73 LEU C C 177.4 0.1 1 318 73 73 LEU CA C 55.5 0.1 1 319 73 73 LEU N N 121.4 0.1 1 320 74 74 ALA H H 7.99 0.01 1 321 74 74 ALA HA H 4.26 0.01 1 322 74 74 ALA C C 177.9 0.1 1 323 74 74 ALA CA C 52.8 0.1 1 324 74 74 ALA N N 123.4 0.1 1 325 75 75 LYS H H 8.07 0.01 1 326 75 75 LYS HA H 4.26 0.01 1 327 75 75 LYS C C 176.1 0.1 1 328 75 75 LYS CA C 56.5 0.1 1 329 75 75 LYS N N 119.9 0.1 1 330 76 76 LYS H H 8.40 0.01 1 331 76 76 LYS HA H 4.34 0.01 1 332 76 76 LYS C C 176.6 0.1 1 333 76 76 LYS CA C 56.6 0.1 1 334 76 76 LYS N N 121.6 0.1 1 335 77 77 GLU H H 8.40 0.01 1 336 77 77 GLU HA H 4.36 0.01 1 337 77 77 GLU C C 176.9 0.1 1 338 77 77 GLU CA C 56.5 0.1 1 339 77 77 GLU N N 121.9 0.1 1 340 78 78 GLY H H 8.37 0.01 1 341 78 78 GLY HA2 H 3.97 0.01 2 342 78 78 GLY HA3 H 3.97 0.01 2 343 78 78 GLY C C 174.1 0.1 1 344 78 78 GLY CA C 45.3 0.1 1 345 78 78 GLY N N 109.5 0.1 1 346 79 79 ILE H H 8.00 0.01 1 347 79 79 ILE HA H 4.29 0.01 1 348 79 79 ILE C C 176.6 0.1 1 349 79 79 ILE CA C 61.2 0.1 1 350 79 79 ILE N N 119.6 0.1 1 351 80 80 THR H H 8.27 0.01 1 352 80 80 THR HA H 4.41 0.01 1 353 80 80 THR C C 174.6 0.1 1 354 80 80 THR CA C 61.9 0.1 1 355 80 80 THR N N 117.7 0.1 1 356 81 81 GLY H H 8.18 0.01 1 357 81 81 GLY HA2 H 4.10 0.01 2 358 81 81 GLY HA3 H 4.10 0.01 2 359 81 81 GLY CA C 44.5 0.1 1 360 81 81 GLY N N 111.3 0.1 1 361 83 83 PRO C C 176.9 0.1 1 362 83 83 PRO CA C 62.9 0.1 1 363 84 84 ALA H H 8.44 0.01 1 364 84 84 ALA HA H 4.26 0.01 1 365 84 84 ALA C C 177.7 0.1 1 366 84 84 ALA CA C 52.6 0.1 1 367 84 84 ALA N N 124.2 0.1 1 368 85 85 ASP H H 8.31 0.01 1 369 85 85 ASP HA H 4.61 0.01 1 370 85 85 ASP C C 176.5 0.1 1 371 85 85 ASP CA C 54.2 0.1 1 372 85 85 ASP N N 119.3 0.1 1 373 86 86 SER H H 8.29 0.01 1 374 86 86 SER HA H 4.46 0.01 1 375 86 86 SER CA C 58.6 0.1 1 376 86 86 SER N N 116.5 0.1 1 377 87 87 SER C C 174.0 0.1 1 378 87 87 SER CA C 58.8 0.1 1 379 88 88 LYS H H 8.08 0.01 1 380 88 88 LYS HA H 4.63 0.01 1 381 88 88 LYS CA C 54.2 0.1 1 382 88 88 LYS N N 123.9 0.1 1 383 89 89 PRO C C 176.8 0.1 1 384 89 89 PRO CA C 62.9 0.1 1 385 90 90 ILE H H 8.29 0.01 1 386 90 90 ILE HA H 4.18 0.01 1 387 90 90 ILE C C 176.5 0.1 1 388 90 90 ILE CA C 61.3 0.1 1 389 90 90 ILE N N 121.3 0.1 1 390 91 91 GLY H H 8.45 0.01 1 391 91 91 GLY HA2 H 4.13 0.01 2 392 91 91 GLY HA3 H 4.13 0.01 2 393 91 91 GLY CA C 44.6 0.1 1 394 91 91 GLY N N 113.5 0.1 1 395 92 92 PRO C C 177.2 0.1 1 396 92 92 PRO CA C 63.6 0.1 1 397 93 93 ASP H H 8.45 0.01 1 398 93 93 ASP HA H 4.61 0.01 1 399 93 93 ASP C C 176.2 0.1 1 400 93 93 ASP CA C 54.6 0.1 1 401 93 93 ASP N N 119.3 0.1 1 402 94 94 ASP H H 8.04 0.01 1 403 94 94 ASP HA H 4.54 0.01 1 404 94 94 ASP C C 176.0 0.1 1 405 94 94 ASP CA C 54.6 0.1 1 406 94 94 ASP N N 120.2 0.1 1 407 95 95 ALA H H 8.10 0.01 1 408 95 95 ALA HA H 4.32 0.01 1 409 95 95 ALA C C 177.8 0.1 1 410 95 95 ALA CA C 52.6 0.1 1 411 95 95 ALA N N 123.4 0.1 1 412 96 96 ILE H H 8.01 0.01 1 413 96 96 ILE HA H 4.11 0.01 1 414 96 96 ILE C C 176.3 0.1 1 415 96 96 ILE CA C 61.5 0.1 1 416 96 96 ILE N N 119.3 0.1 1 417 97 97 ASP H H 8.32 0.01 1 418 97 97 ASP HA H 4.58 0.01 1 419 97 97 ASP C C 176.0 0.1 1 420 97 97 ASP CA C 54.4 0.1 1 421 97 97 ASP N N 123.5 0.1 1 422 98 98 ALA H H 8.17 0.01 1 423 98 98 ALA C C 177.9 0.1 1 424 98 98 ALA CA C 52.8 0.1 1 425 98 98 ALA N N 123.6 0.1 1 426 99 99 LEU H H 8.15 0.01 1 427 99 99 LEU HA H 4.36 0.01 1 428 99 99 LEU C C 177.8 0.1 1 429 99 99 LEU CA C 55.3 0.1 1 430 99 99 LEU N N 120.0 0.1 1 431 100 100 SER H H 8.11 0.01 1 432 100 100 SER HA H 4.46 0.01 1 433 100 100 SER C C 174.9 0.1 1 434 100 100 SER CA C 58.5 0.1 1 435 100 100 SER N N 115.7 0.1 1 436 101 101 SER H H 8.28 0.01 1 437 101 101 SER HA H 4.40 0.01 1 438 101 101 SER C C 174.1 0.1 1 439 101 101 SER CA C 58.6 0.1 1 440 101 101 SER N N 117.5 0.1 1 441 102 102 ASP H H 8.21 0.01 1 442 102 102 ASP HA H 4.57 0.01 1 443 102 102 ASP C C 176.2 0.1 1 444 102 102 ASP CA C 54.4 0.1 1 445 102 102 ASP N N 121.5 0.1 1 446 103 103 PHE H H 8.13 0.01 1 447 103 103 PHE HA H 4.68 0.01 1 448 103 103 PHE C C 176.2 0.1 1 449 103 103 PHE CA C 58.0 0.1 1 450 103 103 PHE N N 120.3 0.1 1 451 104 104 THR H H 8.11 0.01 1 452 104 104 THR HA H 4.29 0.01 1 453 104 104 THR C C 174.7 0.1 1 454 104 104 THR CA C 62.4 0.1 1 455 104 104 THR N N 115.0 0.1 1 456 105 105 CYS H H 8.37 0.01 1 457 105 105 CYS C C 175.0 0.1 1 458 105 105 CYS CA C 57.9 0.1 1 459 105 105 CYS N N 120.6 0.1 1 460 106 106 GLY H H 8.42 0.01 1 461 106 106 GLY HA2 H 3.98 0.01 2 462 106 106 GLY HA3 H 3.98 0.01 2 463 106 106 GLY C C 173.7 0.1 1 464 106 106 GLY CA C 45.3 0.1 1 465 106 106 GLY N N 110.5 0.1 1 466 107 107 SER H H 8.11 0.01 1 467 107 107 SER CA C 56.3 0.1 1 468 107 107 SER N N 116.3 0.1 1 469 108 108 PRO C C 177.4 0.1 1 470 108 108 PRO CA C 63.7 0.1 1 471 109 109 THR H H 8.11 0.01 1 472 109 109 THR HA H 4.29 0.01 1 473 109 109 THR C C 174.6 0.1 1 474 109 109 THR CA C 62.1 0.1 1 475 109 109 THR N N 113.2 0.1 1 476 110 110 ALA H H 8.19 0.01 1 477 110 110 ALA HA H 4.31 0.01 1 478 110 110 ALA C C 177.5 0.1 1 479 110 110 ALA CA C 52.7 0.1 1 480 110 110 ALA N N 126.1 0.1 1 481 111 111 ALA H H 8.21 0.01 1 482 111 111 ALA HA H 4.28 0.01 1 483 111 111 ALA C C 178.3 0.1 1 484 111 111 ALA CA C 52.9 0.1 1 485 111 111 ALA N N 122.9 0.1 1 486 112 112 GLY H H 8.28 0.01 1 487 112 112 GLY HA2 H 3.95 0.01 2 488 112 112 GLY HA3 H 3.95 0.01 2 489 112 112 GLY C C 174.0 0.1 1 490 112 112 GLY CA C 45.3 0.1 1 491 112 112 GLY N N 107.7 0.1 1 492 113 113 LYS H H 8.07 0.01 1 493 113 113 LYS HA H 4.33 0.01 1 494 113 113 LYS C C 176.8 0.1 1 495 113 113 LYS CA C 56.5 0.1 1 496 113 113 LYS N N 120.7 0.1 1 497 114 114 LYS H H 8.24 0.01 1 498 114 114 LYS HA H 4.30 0.01 1 499 114 114 LYS C C 176.8 0.1 1 500 114 114 LYS CA C 56.4 0.1 1 501 114 114 LYS N N 122.5 0.1 1 502 115 115 THR H H 8.26 0.01 1 503 115 115 THR HA H 4.33 0.01 1 504 115 115 THR C C 174.6 0.1 1 505 115 115 THR CA C 62.0 0.1 1 506 115 115 THR N N 115.6 0.1 1 507 116 116 GLU H H 8.49 0.01 1 508 116 116 GLU HA H 4.34 0.01 1 509 116 116 GLU C C 176.5 0.1 1 510 116 116 GLU CA C 56.9 0.1 1 511 116 116 GLU N N 123.2 0.1 1 512 117 117 LYS H H 8.33 0.01 1 513 117 117 LYS HA H 4.26 0.01 1 514 117 117 LYS C C 176.6 0.1 1 515 117 117 LYS CA C 56.2 0.1 1 516 117 117 LYS N N 121.5 0.1 1 517 118 118 GLU H H 8.46 0.01 1 518 118 118 GLU HA H 4.42 0.01 1 519 118 118 GLU C C 176.4 0.1 1 520 118 118 GLU CA C 56.6 0.1 1 521 118 118 GLU N N 123.3 0.1 1 522 119 119 GLU H H 8.46 0.01 1 523 119 119 GLU HA H 4.26 0.01 1 524 119 119 GLU C C 176.6 0.1 1 525 119 119 GLU CA C 56.7 0.1 1 526 119 119 GLU N N 122.2 0.1 1 527 120 120 SER H H 8.44 0.01 1 528 120 120 SER HA H 4.51 0.01 1 529 120 120 SER C C 175.2 0.1 1 530 120 120 SER CA C 58.5 0.1 1 531 120 120 SER N N 116.7 0.1 1 532 121 121 THR H H 8.25 0.01 1 533 121 121 THR HA H 4.32 0.01 1 534 121 121 THR C C 175.1 0.1 1 535 121 121 THR CA C 62.9 0.1 1 536 121 121 THR N N 116.0 0.1 1 537 122 122 GLU H H 8.35 0.01 1 538 122 122 GLU HA H 4.25 0.01 1 539 122 122 GLU C C 177.4 0.1 1 540 122 122 GLU CA C 57.5 0.1 1 541 122 122 GLU N N 122.7 0.1 1 542 123 123 VAL H H 7.97 0.01 1 543 123 123 VAL HA H 4.00 0.01 1 544 123 123 VAL C C 176.7 0.1 1 545 123 123 VAL CA C 63.5 0.1 1 546 123 123 VAL N N 121.1 0.1 1 547 124 124 LEU H H 8.13 0.01 1 548 124 124 LEU HA H 4.28 0.01 1 549 124 124 LEU C C 178.0 0.1 1 550 124 124 LEU CA C 55.9 0.1 1 551 124 124 LEU N N 124.1 0.1 1 552 125 125 LYS H H 8.18 0.01 1 553 125 125 LYS HA H 4.24 0.01 1 554 125 125 LYS C C 176.9 0.1 1 555 125 125 LYS CA C 56.9 0.1 1 556 125 125 LYS N N 121.7 0.1 1 557 126 126 ALA H H 8.12 0.01 1 558 126 126 ALA HA H 4.27 0.01 1 559 126 126 ALA C C 178.2 0.1 1 560 126 126 ALA CA C 53.0 0.1 1 561 126 126 ALA N N 124.2 0.1 1 562 127 127 GLN H H 8.28 0.01 1 563 127 127 GLN HA H 4.33 0.01 1 564 127 127 GLN C C 176.5 0.1 1 565 127 127 GLN CA C 56.2 0.1 1 566 127 127 GLN N N 119.0 0.1 1 567 128 128 SER H H 8.25 0.01 1 568 128 128 SER C C 174.5 0.1 1 569 128 128 SER CA C 58.5 0.1 1 570 128 128 SER N N 116.3 0.1 1 571 129 129 ALA H H 8.33 0.01 1 572 129 129 ALA HA H 4.35 0.01 1 573 129 129 ALA C C 178.3 0.1 1 574 129 129 ALA CA C 53.0 0.1 1 575 129 129 ALA N N 125.7 0.1 1 576 130 130 GLY H H 8.33 0.01 1 577 130 130 GLY HA2 H 4.00 0.01 2 578 130 130 GLY HA3 H 4.00 0.01 2 579 130 130 GLY C C 174.4 0.1 1 580 130 130 GLY CA C 45.4 0.1 1 581 130 130 GLY N N 107.4 0.1 1 582 131 131 THR H H 8.00 0.01 1 583 131 131 THR HA H 4.35 0.01 1 584 131 131 THR C C 174.6 0.1 1 585 131 131 THR CA C 62.1 0.1 1 586 131 131 THR N N 113.9 0.1 1 587 132 132 VAL H H 8.18 0.01 1 588 132 132 VAL HA H 4.11 0.01 1 589 132 132 VAL C C 176.1 0.1 1 590 132 132 VAL CA C 62.5 0.1 1 591 132 132 VAL N N 123.0 0.1 1 592 133 133 ARG H H 8.47 0.01 1 593 133 133 ARG HA H 4.39 0.01 1 594 133 133 ARG C C 176.2 0.1 1 595 133 133 ARG CA C 56.0 0.1 1 596 133 133 ARG N N 125.3 0.1 1 597 134 134 SER H H 8.33 0.01 1 598 134 134 SER HA H 4.42 0.01 1 599 134 134 SER C C 174.0 0.1 1 600 134 134 SER CA C 58.2 0.1 1 601 134 134 SER N N 117.3 0.1 1 602 135 135 ALA H H 8.32 0.01 1 603 135 135 ALA HA H 4.34 0.01 1 604 135 135 ALA C C 176.9 0.1 1 605 135 135 ALA CA C 52.2 0.1 1 606 135 135 ALA N N 126.0 0.1 1 607 136 136 ALA H H 8.21 0.01 1 608 136 136 ALA HA H 4.58 0.01 1 609 136 136 ALA CA C 50.4 0.1 1 610 136 136 ALA N N 124.6 0.1 1 611 138 138 PRO C C 176.6 0.1 1 612 138 138 PRO CA C 63.1 0.1 1 613 139 139 GLN H H 8.43 0.01 1 614 139 139 GLN HA H 4.31 0.01 1 615 139 139 GLN C C 175.9 0.1 1 616 139 139 GLN CA C 55.8 0.1 1 617 139 139 GLN N N 120.3 0.1 1 618 140 140 GLU H H 8.48 0.01 1 619 140 140 GLU HA H 4.31 0.01 1 620 140 140 GLU C C 175.4 0.1 1 621 140 140 GLU CA C 57.2 0.1 1 622 140 140 GLU N N 123.2 0.1 1 623 141 141 LYS H H 7.96 0.01 1 624 141 141 LYS HA H 4.16 0.01 1 625 141 141 LYS C C 175.2 0.1 1 626 141 141 LYS CA C 58.1 0.1 1 627 141 141 LYS N N 127.1 0.1 1 stop_ save_ save_heteronuclear_T1_list_1 _Saveframe_category T1_relaxation _Details . loop_ _Software_label $SPARKY stop_ loop_ _Sample_label $sample_1 stop_ _Sample_conditions_label $sample_conditions_1 _Spectrometer_frequency_1H 500 _T1_coherence_type Nz _T1_value_units ms _Mol_system_component_name hCSD1 _Text_data_format . _Text_data . loop_ _T1_ID _Residue_seq_code _Residue_label _Atom_name _T1_value _T1_value_error 1 5 GLU N 452.4 16.1 2 7 LYS N 676.3 60.5 3 10 LYS N 705.4 33.9 4 12 SER N 387.6 28.8 5 15 SER N 534.9 81.8 6 16 GLY N 597.1 148 7 17 MET N 439.8 31.7 8 18 ASP N 517.8 30.4 9 20 ALA N 511 46.3 10 21 LEU N 724.6 37.9 11 26 ASP N 550 15.4 12 27 THR N 779.6 15.7 13 28 LEU N 661.3 53.8 14 30 GLY N 912.9 29.4 15 32 GLU N 756.3 41 16 34 THR N 419 42.9 17 35 GLU N 417.3 27.5 18 37 GLU N 817.3 41 19 38 ASN N 654.5 21 20 39 THR N 472.1 41.8 21 40 THR N 542.8 45.1 22 41 TYR N 593.8 46.1 23 42 THR N 452.5 51.2 24 45 GLU N 1137 281 25 47 SER N 735.9 119 26 48 ASP N 494.1 70.9 27 51 SER N 441.4 44.4 28 53 THR N 414.1 30.3 29 54 TYR N 437.3 21.4 30 55 ILE N 611.6 27.8 31 56 GLU N 496.7 42 32 58 LEU N 448.6 18.6 33 59 GLY N 448.6 18.6 34 60 LYS N 448.6 18.6 35 61 ARG N 448.6 18.6 36 63 VAL N 456.9 48.2 37 64 THR N 667 135 38 65 ILE N 632.1 72.1 39 68 LYS N 391.6 56.9 40 69 TYR N 423.7 29.5 41 71 GLU N 609.7 60.6 42 72 LEU N 609.7 60.6 43 73 LEU N 609.7 60.6 44 74 ALA N 602 30.7 45 75 LYS N 606.7 37.6 46 76 LYS N 543.3 53.5 47 77 GLU N 437.5 20.3 48 78 GLY N 548.1 41.8 49 79 ILE N 656.5 49.4 50 80 THR N 599.2 99.6 51 81 GLY N 858.4 164 52 84 ALA N 518.1 52.1 53 85 ASP N 673.7 57.2 54 88 LYS N 705.6 96.6 55 91 GLY N 604.4 88.8 56 93 ASP N 664.6 76.3 57 94 ASP N 696.4 294 58 95 ALA N 762.8 57.6 59 97 ASP N 717.4 87.6 60 100 SER N 494.6 36.4 61 101 SER N 579.1 61.9 62 102 ASP N 598.3 19.6 63 103 PHE N 543.4 10.6 64 104 THR N 489.8 41.5 65 107 SER N 566 41 66 109 THR N 514.1 33.3 67 110 ALA N 554 97 68 111 ALA N 543 79.4 69 112 GLY N 606.5 118 70 113 LYS N 586.6 32.7 71 115 THR N 371.7 69.3 72 116 GLU N 471.7 37.5 73 117 LYS N 680.3 13.2 74 118 GLU N 527.9 17.6 75 119 GLU N 574.7 28.4 76 120 SER N 438.7 25.7 77 121 THR N 458.6 33.7 78 122 GLU N 579.8 33.6 79 125 LYS N 554.2 23.3 80 128 SER N 697.1 50.1 81 129 ALA N 393.1 52.6 82 130 GLY N 708 86.7 83 131 THR N 515.2 37.4 84 132 VAL N 582 81.5 85 133 ARG N 536.3 207 86 134 SER N 452.7 106 87 135 ALA N 635.3 181 88 136 ALA N 725.7 88.6 89 140 GLU N 778.9 169 90 141 LYS N 1386 265 stop_ save_ save_heteronuclear_T2_list_1 _Saveframe_category T2_relaxation _Details . loop_ _Sample_label $sample_1 stop_ _Sample_conditions_label $sample_conditions_1 _Spectrometer_frequency_1H 500 _T2_coherence_type Nz _T2_value_units ms _Mol_system_component_name hCSD1 _Text_data_format . _Text_data . loop_ _T2_ID _Residue_seq_code _Residue_label _Atom_name _T2_value _T2_value_error _Rex_value _Rex_error 1 5 GLU N 478.10 29.00 . . 2 7 LYS N 372.50 30.30 . . 3 10 LYS N 441.10 9.83 . . 4 12 SER N 261.40 16.30 . . 5 15 SER N 211.70 45.60 . . 6 16 GLY N 230.60 37.80 . . 7 17 MET N 302.60 49.90 . . 8 18 ASP N 363.50 33.20 . . 9 20 ALA N 240.00 14.40 . . 10 21 LEU N 451.60 7.71 . . 11 26 ASP N 373.10 13.20 . . 12 27 THR N 430.20 17.90 . . 13 28 LEU N 450.30 6.73 . . 14 30 GLY N 532.60 25.10 . . 15 32 GLU N 444.40 9.64 . . 16 34 THR N 412.10 19.40 . . 17 35 GLU N 461.90 20.00 . . 18 37 GLU N 310.20 12.90 . . 19 38 ASN N 341.80 12.40 . . 20 39 THR N 316.30 24.20 . . 21 40 THR N 308.40 18.60 . . 22 41 TYR N 322.60 5.43 . . 23 42 THR N 283.70 18.80 . . 24 45 GLU N 348.20 8.66 . . 25 47 SER N 249.30 24.10 . . 26 48 ASP N 284.50 12.30 . . 27 51 SER N 245.00 15.40 . . 28 53 THR N 216.30 22.90 . . 29 54 TYR N 243.70 7.32 . . 30 55 ILE N 256.60 6.70 . . 31 56 GLU N 266.20 10.50 . . 32 58 LEU N 264.40 4.49 . . 33 59 GLY N 243.10 10.90 . . 34 60 LYS N 256.50 5.86 . . 35 61 ARG N 246.00 8.84 . . 36 63 VAL N 268.80 12.60 . . 37 64 THR N 227.10 14.20 . . 38 65 ILE N 247.10 9.58 . . 39 68 LYS N 192.10 9.36 . . 40 69 TYR N 182.60 9.87 . . 41 71 GLU N 200.00 12.30 . . 42 72 LEU N 203.20 5.11 . . 43 73 LEU N 244.90 4.81 . . 44 74 ALA N 242.60 9.03 . . 45 75 LYS N 253.60 9.41 . . 46 76 LYS N 269.80 9.89 . . 47 77 GLU N 362.30 19.00 . . 48 78 GLY N 269.30 10.40 . . 49 79 ILE N 358.80 6.97 . . 50 80 THR N 281.20 23.00 . . 51 81 GLY N 330.00 21.80 . . 52 84 ALA N 340.80 30.40 . . 53 85 ASP N 309.20 21.50 . . 54 88 LYS N 325.20 20.00 . . 55 91 GLY N 399.90 2.89 . . 56 93 ASP N 339.10 7.63 . . 57 94 ASP N 385.50 9.00 . . 58 95 ALA N 385.00 7.82 . . 59 97 ASP N 336.80 4.94 . . 60 100 SER N 271.30 23.70 . . 61 101 SER N 204.50 13.60 . . 62 102 ASP N 226.90 7.09 . . 63 103 PHE N 237.70 4.88 . . 64 104 THR N 198.90 5.76 . . 65 107 SER N 204.60 4.36 . . 66 109 THR N 238.60 21.20 . . 67 110 ALA N 231.80 20.40 . . 68 111 ALA N 312.50 9.63 . . 69 112 GLY N 279.50 45.70 . . 70 113 LYS N 315.80 38.90 . . 71 115 THR N 249.90 37.70 . . 72 116 GLU N 257.40 13.50 . . 73 117 LYS N 245.30 8.20 . . 74 118 GLU N 242.00 30.10 . . 75 119 GLU N 213.50 7.80 . . 76 120 SER N 256.90 27.40 . . 77 121 THR N 239.50 17.00 . . 78 122 GLU N 269.30 16.40 . . 79 125 LYS N 301.40 11.20 . . 80 128 SER N 207.80 46.10 . . 81 129 ALA N 207.60 36.40 . . 82 130 GLY N 221.30 23.10 . . 83 131 THR N 267.90 55.40 . . 84 132 VAL N 351.90 23.70 . . 85 133 ARG N 289.80 32.00 . . 86 134 SER N 191.60 6.80 . . 87 135 ALA N 262.30 25.60 . . 88 136 ALA N 471.50 11.20 . . 89 140 GLU N 890.00 12.50 . . 90 141 LYS N 1145.00 61.00 . . stop_ save_