data_27888 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; BlaC in free form ; _BMRB_accession_number 27888 _BMRB_flat_file_name bmr27888.str _Entry_type original _Submission_date 2019-05-02 _Accession_date 2019-05-02 _Entry_origination author _NMR_STAR_version 2.1.1 _Experimental_method NMR _Details 'Backbone assignment of Mycobacterium tuberculosis beta-lactamase, BlaC, in free form.' loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Elings Wouter . . 2 Ubbink Marcellus . . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 heteronucl_NOE 2 T1_relaxation 2 T2_relaxation 4 S2_parameters 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 245 "13C chemical shifts" 262 "15N chemical shifts" 245 "T1 relaxation values" 428 "T2 relaxation values" 898 "order parameters" 213 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2020-04-30 update BMRB 'update entry citation' 2019-12-19 original author 'original release' stop_ loop_ _Related_BMRB_accession_number _Relationship 27067 'Wildtype protein with 6xHis purifiation tag' 27889 'BlaC variant G132N' 27890 'BlaC in bound to clavulanic acid' 27891 'BlaC variant K234R' stop_ _Original_release_date 2019-05-02 save_ ############################# # Citation for this entry # ############################# save_citations_1 _Saveframe_category entry_citation _Citation_full . _Citation_title ; Beta-Lactamase of Mycobacterium tuberculosis Shows Dynamics in the Active Site That Increase upon Inhibitor Binding ; _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 31871087 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Elings Wouter . . 2 Gaur Anamika . . 3 Blok Anneloes J. . 4 Timmer Monika . . 5 'van Ingen' Hugo . . 6 Ubbink Marcellus . . stop_ _Journal_abbreviation 'Antimicrob. Agents. Chemother.' _Journal_volume 64 _Journal_issue 3 _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first e02025 _Page_last e02025 _Year 2020 _Details . loop_ _Keyword BlaC inhibition stop_ save_ ####################################### # Cited references within the entry # ####################################### save_CcpNmr _Saveframe_category citation _Citation_full . _Citation_title ; The CCPN data model for NMR spectroscopy: Development of a software pipeline ; _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 15815974 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Vranken Wim F. . 2 Boucher Wayne . . 3 Stevens Tim J. . 4 Fogh Rasmus H. . 5 Pajon Anne . . 6 Llinas Miquel . . 7 Ulrich Eldon L. . 8 Markley John L. . 9 Ionides John . . 10 Laue Ernest D. . stop_ _Journal_abbreviation Proteins _Journal_name_full . _Journal_volume 59 _Journal_issue 4 _Journal_CSD . _Book_title . _Book_chapter_title . _Book_volume . _Book_series . _Book_publisher . _Book_publisher_city . _Book_ISBN . _Conference_title . _Conference_site . _Conference_state_province . _Conference_country . _Conference_start_date . _Conference_end_date . _Conference_abstract_number . _Thesis_institution . _Thesis_institution_city . _Thesis_institution_country . _Page_first 687 _Page_last 696 _Year 2005 _Details . save_ save_Ambler1991 _Saveframe_category citation _Citation_full . _Citation_title ; A standard numbering scheme for the Class A beta-lactamases ; _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 6109327 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Ambler R. P. . 2 Coulson A. FW . stop_ _Journal_abbreviation 'Biochem. J.' _Journal_name_full . _Journal_volume 276 _Journal_issue . _Journal_CSD . _Book_title . _Book_chapter_title . _Book_volume . _Book_series . _Book_publisher . _Book_publisher_city . _Book_ISBN . _Conference_title . _Conference_site . _Conference_state_province . _Conference_country . _Conference_start_date . _Conference_end_date . _Conference_abstract_number . _Thesis_institution . _Thesis_institution_city . _Thesis_institution_country . _Page_first 269 _Page_last 272 _Year 1991 _Details . save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name BlaC _Enzyme_commission_number 3.5.2.6 loop_ _Mol_system_component_name _Mol_label BlaC $BlaC stop_ _System_molecular_weight . _System_physical_state native _System_oligomer_state ? _System_paramagnetic no _System_thiol_state . loop_ _Biological_function 'Hydrolysis of beta-lactam antibiotics' stop_ _Database_query_date . _Details 'Single polypetide chain' save_ ######################## # Monomeric polymers # ######################## save_BlaC _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common BlaC _Molecular_mass . _Mol_thiol_state unknown loop_ _Biological_function Beta-lactamase stop_ _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 266 _Mol_residue_sequence ; GDLADRFAELERRYDARLGV YVPATGTTAAIEYRADERFA FCSTFKAPLVAAVLHQNPLT HLDKLITYTSDDIRSISPVA QQHVQTGMTIGQLCDAAIRY SDGTAANLLLADLGGPGGGT AAFTGYLRSLGDTVSRLDAE EPELNRDPPGDERDTTTPHA IALVLQQLVLGNALPPDKRA LLTDWMARNTTGAKRIRAGF PADWKVIDKTGTGDYGRAND IAVVWSPTGVPYVVAVMSDR AGGGYDAEPREALLAEAATC VAGVLA ; loop_ _Residue_seq_code _Residue_label 1 GLY 2 ASP 3 LEU 4 ALA 5 ASP 6 ARG 7 PHE 8 ALA 9 GLU 10 LEU 11 GLU 12 ARG 13 ARG 14 TYR 15 ASP 16 ALA 17 ARG 18 LEU 19 GLY 20 VAL 21 TYR 22 VAL 23 PRO 24 ALA 25 THR 26 GLY 27 THR 28 THR 29 ALA 30 ALA 31 ILE 32 GLU 33 TYR 34 ARG 35 ALA 36 ASP 37 GLU 38 ARG 39 PHE 40 ALA 41 PHE 42 CYS 43 SER 44 THR 45 PHE 46 LYS 47 ALA 48 PRO 49 LEU 50 VAL 51 ALA 52 ALA 53 VAL 54 LEU 55 HIS 56 GLN 57 ASN 58 PRO 59 LEU 60 THR 61 HIS 62 LEU 63 ASP 64 LYS 65 LEU 66 ILE 67 THR 68 TYR 69 THR 70 SER 71 ASP 72 ASP 73 ILE 74 ARG 75 SER 76 ILE 77 SER 78 PRO 79 VAL 80 ALA 81 GLN 82 GLN 83 HIS 84 VAL 85 GLN 86 THR 87 GLY 88 MET 89 THR 90 ILE 91 GLY 92 GLN 93 LEU 94 CYS 95 ASP 96 ALA 97 ALA 98 ILE 99 ARG 100 TYR 101 SER 102 ASP 103 GLY 104 THR 105 ALA 106 ALA 107 ASN 108 LEU 109 LEU 110 LEU 111 ALA 112 ASP 113 LEU 114 GLY 115 GLY 116 PRO 117 GLY 118 GLY 119 GLY 120 THR 121 ALA 122 ALA 123 PHE 124 THR 125 GLY 126 TYR 127 LEU 128 ARG 129 SER 130 LEU 131 GLY 132 ASP 133 THR 134 VAL 135 SER 136 ARG 137 LEU 138 ASP 139 ALA 140 GLU 141 GLU 142 PRO 143 GLU 144 LEU 145 ASN 146 ARG 147 ASP 148 PRO 149 PRO 150 GLY 151 ASP 152 GLU 153 ARG 154 ASP 155 THR 156 THR 157 THR 158 PRO 159 HIS 160 ALA 161 ILE 162 ALA 163 LEU 164 VAL 165 LEU 166 GLN 167 GLN 168 LEU 169 VAL 170 LEU 171 GLY 172 ASN 173 ALA 174 LEU 175 PRO 176 PRO 177 ASP 178 LYS 179 ARG 180 ALA 181 LEU 182 LEU 183 THR 184 ASP 185 TRP 186 MET 187 ALA 188 ARG 189 ASN 190 THR 191 THR 192 GLY 193 ALA 194 LYS 195 ARG 196 ILE 197 ARG 198 ALA 199 GLY 200 PHE 201 PRO 202 ALA 203 ASP 204 TRP 205 LYS 206 VAL 207 ILE 208 ASP 209 LYS 210 THR 211 GLY 212 THR 213 GLY 214 ASP 215 TYR 216 GLY 217 ARG 218 ALA 219 ASN 220 ASP 221 ILE 222 ALA 223 VAL 224 VAL 225 TRP 226 SER 227 PRO 228 THR 229 GLY 230 VAL 231 PRO 232 TYR 233 VAL 234 VAL 235 ALA 236 VAL 237 MET 238 SER 239 ASP 240 ARG 241 ALA 242 GLY 243 GLY 244 GLY 245 TYR 246 ASP 247 ALA 248 GLU 249 PRO 250 ARG 251 GLU 252 ALA 253 LEU 254 LEU 255 ALA 256 GLU 257 ALA 258 ALA 259 THR 260 CYS 261 VAL 262 ALA 263 GLY 264 VAL 265 LEU 266 ALA 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 UNP 'P9WKD3[43 - 307]' BlaC . . . . . stop_ save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species _Gene_mnemonic $BlaC 'Mycobacterium tuberculosis' 1773 Bacteria . Mycobacterium tuberculosis blaC 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 _Details $BlaC 'recombinant technology' . Escherichia coli BL21(DE3) pET28a 'Residues 2-266 correspond to Uniprot P9WKD3[43 - 307].' stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Saveframe_category sample _Sample_type solution _Details 'BlaC wt' loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $BlaC 0.7 mM '[U-100% 13C; U-100% 15N]' MES 94 mM 'natural abundance' D2O 6 % [U-2H] stop_ save_ ############################ # Computer software used # ############################ save_TOPSPIN _Saveframe_category software _Name TOPSPIN _Version 3.2 loop_ _Vendor _Address _Electronic_address 'Bruker Biospin' . . stop_ loop_ _Task collection processing stop_ _Details . save_ save_CcpNmr_Analysis _Saveframe_category software _Name CcpNmr_Analysis _Version 2.4.0 loop_ _Vendor _Address _Electronic_address CCPN . . stop_ loop_ _Task 'chemical shift assignment' 'peak picking' stop_ _Details . save_ save_FuDa _Saveframe_category software _Name FuDa _Version . loop_ _Vendor _Address _Electronic_address 'Hansen, Yang, Feng, Zhou, Wiesner, Bai and Kay' . . stop_ loop_ _Task 'data analysis' stop_ _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model Avance _Field_strength 850 _Details 'TCI cryoprobe' save_ ############################# # NMR applied experiments # ############################# save_3D_HNCA_1 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCA' _Sample_label $sample_1 save_ save_Pseudo-3D_NOE_2 _Saveframe_category NMR_applied_experiment _Experiment_name 'Pseudo-3D NOE' _Sample_label $sample_1 save_ save_Pseudo-3D_T1_3 _Saveframe_category NMR_applied_experiment _Experiment_name 'Pseudo-3D T1' _Sample_label $sample_1 save_ save_Pseudo-3D_T2_4 _Saveframe_category NMR_applied_experiment _Experiment_name 'Pseudo-3D T2' _Sample_label $sample_1 save_ save_Pseudo-3D_CPMG-RD_5 _Saveframe_category NMR_applied_experiment _Experiment_name 'Pseudo-3D CPMG-RD' _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 6.4 . pH pressure 1 . atm temperature 298 . K stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_IUPAC_reference _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 $TOPSPIN $CcpNmr_Analysis stop_ loop_ _Experiment_label '3D HNCA' stop_ loop_ _Sample_label $sample_1 stop_ _Sample_conditions_label $sample_conditions_1 _Chem_shift_reference_set_label $IUPAC_reference _Mol_system_component_name BlaC _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 54.972 0.000 1 2 3 3 LEU H H 8.355 0.001 1 3 3 3 LEU CA C 57.497 0.006 1 4 3 3 LEU N N 122.423 0.020 1 5 4 4 ALA H H 8.155 0.000 1 6 4 4 ALA CA C 55.975 0.004 1 7 4 4 ALA N N 121.293 0.033 1 8 5 5 ASP H H 7.832 0.000 1 9 5 5 ASP CA C 57.140 0.012 1 10 5 5 ASP N N 116.967 0.031 1 11 6 6 ARG H H 7.563 0.001 1 12 6 6 ARG CA C 58.395 0.001 1 13 6 6 ARG N N 121.529 0.020 1 14 7 7 PHE H H 8.082 0.001 1 15 7 7 PHE CA C 58.709 0.051 1 16 7 7 PHE N N 120.918 0.005 1 17 8 8 ALA H H 8.253 0.000 1 18 8 8 ALA CA C 55.468 0.005 1 19 8 8 ALA N N 122.635 0.008 1 20 9 9 GLU H H 7.625 0.000 1 21 9 9 GLU CA C 59.743 0.006 1 22 9 9 GLU N N 120.038 0.010 1 23 10 10 LEU H H 7.713 0.002 1 24 10 10 LEU CA C 58.234 0.045 1 25 10 10 LEU N N 120.227 0.017 1 26 11 11 GLU H H 8.011 0.002 1 27 11 11 GLU CA C 61.230 0.005 1 28 11 11 GLU N N 118.577 0.030 1 29 12 12 ARG H H 7.674 0.001 1 30 12 12 ARG CA C 59.234 0.002 1 31 12 12 ARG N N 118.170 0.024 1 32 13 13 ARG H H 8.615 0.000 1 33 13 13 ARG CA C 59.373 0.001 1 34 13 13 ARG N N 121.445 0.000 1 35 14 14 TYR H H 8.176 0.000 1 36 14 14 TYR CA C 59.421 0.030 1 37 14 14 TYR N N 113.605 0.000 1 38 15 15 ASP H H 7.777 0.000 1 39 15 15 ASP CA C 54.905 0.011 1 40 15 15 ASP N N 123.520 0.054 1 41 16 16 ALA H H 8.558 0.001 1 42 16 16 ALA CA C 50.879 0.000 1 43 16 16 ALA N N 122.070 0.052 1 44 17 17 ARG H H 9.174 0.000 1 45 17 17 ARG CA C 55.302 0.011 1 46 17 17 ARG N N 122.715 0.026 1 47 18 18 LEU H H 10.362 0.000 1 48 18 18 LEU CA C 53.324 0.005 1 49 18 18 LEU N N 131.881 0.021 1 50 19 19 GLY H H 8.963 0.001 1 51 19 19 GLY CA C 43.952 0.017 1 52 19 19 GLY N N 111.694 0.012 1 53 20 20 VAL H H 9.546 0.000 1 54 20 20 VAL CA C 60.228 0.007 1 55 20 20 VAL N N 123.808 0.025 1 56 21 21 TYR H H 8.644 0.000 1 57 21 21 TYR CA C 58.736 0.014 1 58 21 21 TYR N N 124.922 0.001 1 59 22 22 VAL H H 7.915 0.000 1 60 22 22 VAL CA C 57.684 0.000 1 61 22 22 VAL N N 128.871 0.012 1 62 23 23 PRO CA C 62.158 0.000 1 63 24 24 ALA H H 8.443 0.001 1 64 24 24 ALA CA C 52.751 0.008 1 65 24 24 ALA N N 123.979 0.002 1 66 25 25 THR H H 8.528 0.000 1 67 25 25 THR CA C 60.712 0.007 1 68 25 25 THR N N 114.179 0.008 1 69 26 26 GLY H H 8.671 0.000 1 70 26 26 GLY CA C 46.888 0.008 1 71 26 26 GLY N N 108.555 0.037 1 72 27 27 THR H H 7.899 0.000 1 73 27 27 THR CA C 61.432 0.031 1 74 27 27 THR N N 108.661 0.010 1 75 28 28 THR H H 7.448 0.001 1 76 28 28 THR CA C 60.468 0.004 1 77 28 28 THR N N 115.209 0.019 1 78 29 29 ALA H H 8.196 0.001 1 79 29 29 ALA CA C 51.143 0.006 1 80 29 29 ALA N N 126.670 0.005 1 81 30 30 ALA H H 8.621 0.000 1 82 30 30 ALA CA C 52.497 0.015 1 83 30 30 ALA N N 123.193 0.004 1 84 31 31 ILE H H 8.400 0.001 1 85 31 31 ILE CA C 61.007 0.005 1 86 31 31 ILE N N 124.100 0.010 1 87 32 32 GLU H H 8.521 0.000 1 88 32 32 GLU CA C 54.119 0.010 1 89 32 32 GLU N N 122.919 0.014 1 90 33 33 TYR H H 8.770 0.002 1 91 33 33 TYR CA C 60.292 0.002 1 92 33 33 TYR N N 124.864 0.024 1 93 34 34 ARG H H 8.745 0.000 1 94 34 34 ARG CA C 57.935 0.025 1 95 34 34 ARG N N 125.005 0.058 1 96 35 35 ALA H H 8.014 0.001 1 97 35 35 ALA CA C 55.095 0.033 1 98 35 35 ALA N N 115.570 0.064 1 99 36 36 ASP H H 8.339 0.001 1 100 36 36 ASP CA C 53.032 0.013 1 101 36 36 ASP N N 112.299 0.025 1 102 37 37 GLU H H 7.275 0.001 1 103 37 37 GLU CA C 56.311 0.001 1 104 37 37 GLU N N 121.013 0.034 1 105 38 38 ARG H H 8.127 0.002 1 106 38 38 ARG CA C 55.782 0.023 1 107 38 38 ARG N N 116.240 0.117 1 108 39 39 PHE H H 9.093 0.001 1 109 39 39 PHE CA C 56.698 0.003 1 110 39 39 PHE N N 122.525 0.016 1 111 40 40 ALA H H 8.782 0.000 1 112 40 40 ALA CA C 52.923 0.021 1 113 40 40 ALA N N 125.924 0.001 1 114 41 41 PHE H H 8.380 0.001 1 115 41 41 PHE CA C 62.684 0.038 1 116 41 41 PHE N N 121.495 0.018 1 117 42 42 CYS H H 10.609 0.001 1 118 42 42 CYS CA C 61.552 0.000 1 119 42 42 CYS N N 118.238 0.049 1 120 43 43 SER CA C 62.421 0.000 1 121 44 44 THR H H 7.575 0.002 1 122 44 44 THR CA C 66.013 0.032 1 123 44 44 THR N N 112.571 0.028 1 124 45 45 PHE H H 7.141 0.001 1 125 45 45 PHE CA C 58.792 0.028 1 126 45 45 PHE N N 116.891 0.034 1 127 46 46 LYS H H 6.955 0.001 1 128 46 46 LYS CA C 59.489 0.014 1 129 46 46 LYS N N 119.756 0.028 1 130 47 47 ALA H H 6.774 0.001 1 131 47 47 ALA CA C 55.982 0.000 1 132 47 47 ALA N N 115.633 0.017 1 133 48 48 PRO CA C 64.802 0.000 1 134 49 49 LEU H H 8.098 0.000 1 135 49 49 LEU CA C 58.484 0.018 1 136 49 49 LEU N N 120.616 0.033 1 137 50 50 VAL H H 7.299 0.000 1 138 50 50 VAL CA C 67.024 0.013 1 139 50 50 VAL N N 118.892 0.026 1 140 51 51 ALA H H 7.426 0.001 1 141 51 51 ALA CA C 55.906 0.088 1 142 51 51 ALA N N 120.456 0.044 1 143 52 52 ALA H H 8.005 0.000 1 144 52 52 ALA CA C 55.444 0.020 1 145 52 52 ALA N N 121.749 0.000 1 146 53 53 VAL H H 7.668 0.001 1 147 53 53 VAL CA C 66.479 0.001 1 148 53 53 VAL N N 119.141 0.015 1 149 54 54 LEU H H 8.587 0.000 1 150 54 54 LEU CA C 57.181 0.020 1 151 54 54 LEU N N 119.533 0.018 1 152 55 55 HIS H H 9.207 0.001 1 153 55 55 HIS CA C 59.457 0.005 1 154 55 55 HIS N N 118.463 0.017 1 155 56 56 GLN H H 7.487 0.000 1 156 56 56 GLN CA C 56.487 0.004 1 157 56 56 GLN N N 113.559 0.019 1 158 57 57 ASN H H 6.994 0.001 1 159 57 57 ASN CA C 51.264 0.000 1 160 57 57 ASN N N 115.695 0.005 1 161 58 58 PRO CA C 61.743 0.000 1 162 59 59 LEU H H 9.115 0.005 1 163 59 59 LEU CA C 58.143 0.054 1 164 59 59 LEU N N 123.169 0.085 1 165 60 60 THR H H 7.517 0.001 1 166 60 60 THR CA C 63.989 0.002 1 167 60 60 THR N N 109.971 0.037 1 168 61 61 HIS H H 8.051 0.001 1 169 61 61 HIS CA C 57.919 0.009 1 170 61 61 HIS N N 123.262 0.022 1 171 62 62 LEU H H 7.551 0.001 1 172 62 62 LEU CA C 56.961 0.007 1 173 62 62 LEU N N 113.875 0.017 1 174 63 63 ASP H H 7.083 0.000 1 175 63 63 ASP CA C 54.448 0.011 1 176 63 63 ASP N N 115.501 0.015 1 177 64 64 LYS H H 7.340 0.001 1 178 64 64 LYS CA C 57.463 0.005 1 179 64 64 LYS N N 123.351 0.024 1 180 65 65 LEU H H 8.317 0.001 1 181 65 65 LEU CA C 55.507 0.018 1 182 65 65 LEU N N 129.520 0.012 1 183 66 66 ILE H H 8.985 0.000 1 184 66 66 ILE CA C 58.607 0.009 1 185 66 66 ILE N N 131.753 0.022 1 186 67 67 THR H H 7.986 0.000 1 187 67 67 THR CA C 60.179 0.004 1 188 67 67 THR N N 117.705 0.012 1 189 68 68 TYR H H 8.361 0.001 1 190 68 68 TYR CA C 56.190 0.004 1 191 68 68 TYR N N 120.375 0.017 1 192 69 69 THR H H 9.298 0.000 1 193 69 69 THR CA C 59.977 0.005 1 194 69 69 THR N N 109.627 0.008 1 195 70 70 SER H H 9.018 0.001 1 196 70 70 SER CA C 62.082 0.007 1 197 70 70 SER N N 116.205 0.010 1 198 71 71 ASP H H 7.824 0.003 1 199 71 71 ASP CA C 56.248 0.002 1 200 71 71 ASP N N 120.825 0.025 1 201 72 72 ASP H H 7.672 0.000 1 202 72 72 ASP CA C 55.948 0.000 1 203 72 72 ASP N N 116.822 0.007 1 204 73 73 ILE H H 7.312 0.001 1 205 73 73 ILE CA C 60.901 0.007 1 206 73 73 ILE N N 120.137 0.015 1 207 74 74 ARG H H 8.169 0.001 1 208 74 74 ARG CA C 54.950 0.008 1 209 74 74 ARG N N 127.903 0.008 1 210 75 75 SER H H 7.632 0.000 1 211 75 75 SER CA C 56.911 0.002 1 212 75 75 SER N N 113.059 0.008 1 213 76 76 ILE H H 9.008 0.001 1 214 76 76 ILE CA C 64.404 0.031 1 215 76 76 ILE N N 125.866 0.004 1 216 77 77 SER H H 9.049 0.002 1 217 77 77 SER CA C 55.548 0.000 1 218 77 77 SER N N 126.335 0.054 1 219 79 79 VAL H H 8.408 0.000 1 220 79 79 VAL CA C 64.269 0.033 1 221 79 79 VAL N N 117.052 0.000 1 222 80 80 ALA H H 10.315 0.005 1 223 80 80 ALA CA C 54.597 0.020 1 224 80 80 ALA N N 125.697 0.015 1 225 81 81 GLN H H 7.874 0.001 1 226 81 81 GLN CA C 58.500 0.008 1 227 81 81 GLN N N 114.839 0.038 1 228 82 82 GLN H H 7.498 0.000 1 229 82 82 GLN CA C 56.413 0.015 1 230 82 82 GLN N N 115.845 0.002 1 231 83 83 HIS H H 6.891 0.001 1 232 83 83 HIS CA C 55.490 0.012 1 233 83 83 HIS N N 115.006 0.005 1 234 84 84 VAL H H 7.178 0.000 1 235 84 84 VAL CA C 65.335 0.005 1 236 84 84 VAL N N 121.013 0.023 1 237 85 85 GLN H H 8.394 0.000 1 238 85 85 GLN CA C 58.133 0.028 1 239 85 85 GLN N N 115.007 0.024 1 240 86 86 THR H H 7.170 0.002 1 241 86 86 THR CA C 62.290 0.002 1 242 86 86 THR N N 106.710 0.039 1 243 87 87 GLY H H 8.024 0.002 1 244 87 87 GLY CA C 45.431 0.001 1 245 87 87 GLY N N 112.454 0.040 1 246 88 88 MET H H 8.667 0.001 1 247 88 88 MET CA C 55.165 0.012 1 248 88 88 MET N N 116.618 0.001 1 249 89 89 THR H H 8.687 0.000 1 250 89 89 THR CA C 60.214 0.015 1 251 89 89 THR N N 113.673 0.010 1 252 90 90 ILE H H 8.198 0.001 1 253 90 90 ILE CA C 62.985 0.008 1 254 90 90 ILE N N 121.656 0.022 1 255 91 91 GLY H H 9.984 0.002 1 256 91 91 GLY CA C 48.228 0.004 1 257 91 91 GLY N N 109.776 0.023 1 258 92 92 GLN H H 7.835 0.001 1 259 92 92 GLN CA C 58.703 0.023 1 260 92 92 GLN N N 122.046 0.023 1 261 93 93 LEU H H 8.917 0.000 1 262 93 93 LEU CA C 58.062 0.050 1 263 93 93 LEU N N 123.583 0.007 1 264 94 94 CYS H H 8.201 0.001 1 265 94 94 CYS CA C 63.790 0.008 1 266 94 94 CYS N N 120.111 0.000 1 267 95 95 ASP H H 6.812 0.001 1 268 95 95 ASP CA C 56.717 0.064 1 269 95 95 ASP N N 118.694 0.074 1 270 96 96 ALA H H 7.803 0.000 1 271 96 96 ALA CA C 55.484 0.000 1 272 96 96 ALA N N 118.829 0.025 1 273 97 97 ALA H H 8.672 0.001 1 274 97 97 ALA CA C 55.139 0.031 1 275 97 97 ALA N N 121.573 0.003 1 276 98 98 ILE H H 7.389 0.000 1 277 98 98 ILE CA C 63.481 0.006 1 278 98 98 ILE N N 112.427 0.025 1 279 99 99 ARG H H 9.042 0.002 1 280 99 99 ARG CA C 60.270 0.014 1 281 99 99 ARG N N 114.946 0.029 1 282 100 100 TYR H H 7.344 0.001 1 283 100 100 TYR CA C 57.743 0.000 1 284 100 100 TYR N N 112.994 0.002 1 285 101 101 SER CA C 57.611 0.000 1 286 102 102 ASP H H 7.518 0.003 1 287 102 102 ASP CA C 57.036 0.020 1 288 102 102 ASP N N 124.261 0.008 1 289 103 103 GLY H H 8.850 0.000 1 290 103 103 GLY CA C 47.965 0.013 1 291 103 103 GLY N N 118.094 0.001 1 292 104 104 THR H H 7.809 0.002 1 293 104 104 THR CA C 67.401 0.028 1 294 104 104 THR N N 121.584 0.001 1 295 105 105 ALA H H 9.387 0.002 1 296 105 105 ALA CA C 54.974 0.010 1 297 105 105 ALA N N 123.872 0.004 1 298 106 106 ALA H H 7.175 0.002 1 299 106 106 ALA CA C 54.775 0.052 1 300 106 106 ALA N N 116.385 0.030 1 301 107 107 ASN H H 8.036 0.001 1 302 107 107 ASN CA C 55.878 0.022 1 303 107 107 ASN N N 120.432 0.007 1 304 108 108 LEU H H 8.701 0.001 1 305 108 108 LEU CA C 57.808 0.000 1 306 108 108 LEU N N 123.859 0.051 1 307 109 109 LEU H H 8.086 0.001 1 308 109 109 LEU CA C 57.706 0.012 1 309 109 109 LEU N N 122.892 0.089 1 310 110 110 LEU H H 8.570 0.003 1 311 110 110 LEU CA C 58.643 0.020 1 312 110 110 LEU N N 121.942 0.039 1 313 111 111 ALA H H 7.514 0.003 1 314 111 111 ALA CA C 54.032 0.044 1 315 111 111 ALA N N 120.161 0.078 1 316 112 112 ASP H H 7.831 0.000 1 317 112 112 ASP CA C 57.703 0.032 1 318 112 112 ASP N N 121.921 0.025 1 319 113 113 LEU H H 8.004 0.000 1 320 113 113 LEU CA C 57.082 0.013 1 321 113 113 LEU N N 118.546 0.051 1 322 114 114 GLY H H 7.935 0.002 1 323 114 114 GLY CA C 44.931 0.068 1 324 114 114 GLY N N 101.880 0.051 1 325 115 115 GLY H H 7.905 0.000 1 326 115 115 GLY CA C 44.804 0.000 1 327 115 115 GLY N N 109.818 0.106 1 328 116 116 PRO CA C 64.192 0.000 1 329 117 117 GLY H H 8.921 0.000 1 330 117 117 GLY CA C 45.940 0.003 1 331 117 117 GLY N N 113.797 0.001 1 332 118 118 GLY H H 7.968 0.000 1 333 118 118 GLY CA C 45.175 0.023 1 334 118 118 GLY N N 108.859 0.003 1 335 119 119 GLY H H 8.421 0.001 1 336 119 119 GLY CA C 48.987 0.001 1 337 119 119 GLY N N 112.023 0.032 1 338 120 120 THR H H 8.500 0.000 1 339 120 120 THR CA C 66.302 0.015 1 340 120 120 THR N N 114.080 0.026 1 341 121 121 ALA H H 7.687 0.001 1 342 121 121 ALA CA C 55.021 0.023 1 343 121 121 ALA N N 127.514 0.043 1 344 122 122 ALA H H 8.145 0.001 1 345 122 122 ALA CA C 54.870 0.077 1 346 122 122 ALA N N 124.141 0.039 1 347 123 123 PHE H H 8.948 0.000 1 348 123 123 PHE CA C 61.735 0.013 1 349 123 123 PHE N N 121.535 0.000 1 350 124 124 THR H H 8.285 0.001 1 351 124 124 THR CA C 68.573 0.011 1 352 124 124 THR N N 118.958 0.010 1 353 125 125 GLY H H 8.389 0.000 1 354 125 125 GLY CA C 46.950 0.008 1 355 125 125 GLY N N 108.071 0.010 1 356 126 126 TYR H H 7.999 0.001 1 357 126 126 TYR CA C 61.228 0.019 1 358 126 126 TYR N N 126.073 0.002 1 359 127 127 LEU H H 7.547 0.001 1 360 127 127 LEU CA C 58.697 0.018 1 361 127 127 LEU N N 120.518 0.005 1 362 128 128 ARG H H 8.185 0.001 1 363 128 128 ARG CA C 57.750 0.009 1 364 128 128 ARG N N 119.007 0.024 1 365 129 129 SER H H 7.865 0.001 1 366 129 129 SER CA C 61.329 0.008 1 367 129 129 SER N N 120.016 0.005 1 368 130 130 LEU H H 7.050 0.001 1 369 130 130 LEU CA C 54.176 0.011 1 370 130 130 LEU N N 122.869 0.005 1 371 131 131 GLY H H 7.737 0.001 1 372 131 131 GLY CA C 45.010 0.011 1 373 131 131 GLY N N 107.717 0.017 1 374 132 132 ASP H H 7.448 0.000 1 375 132 132 ASP CA C 52.619 0.020 1 376 132 132 ASP N N 120.753 0.003 1 377 133 133 THR H H 8.106 0.001 1 378 133 133 THR CA C 61.519 0.081 1 379 133 133 THR N N 115.891 0.016 1 380 134 134 VAL H H 8.722 0.001 1 381 134 134 VAL CA C 63.557 0.002 1 382 134 134 VAL N N 123.524 0.042 1 383 135 135 SER H H 9.664 0.003 1 384 135 135 SER CA C 59.874 0.029 1 385 135 135 SER N N 123.579 0.036 1 386 136 136 ARG H H 9.027 0.002 1 387 136 136 ARG CA C 56.047 0.022 1 388 136 136 ARG N N 117.586 0.012 1 389 137 137 LEU H H 7.483 0.000 1 390 137 137 LEU CA C 54.164 0.029 1 391 137 137 LEU N N 122.225 0.011 1 392 138 138 ASP H H 9.380 0.001 1 393 138 138 ASP CA C 55.183 0.010 1 394 138 138 ASP N N 126.394 0.038 1 395 139 139 ALA H H 8.490 0.001 1 396 139 139 ALA CA C 50.466 0.005 1 397 139 139 ALA N N 127.426 0.002 1 398 140 140 GLU H H 7.528 0.000 1 399 140 140 GLU CA C 53.937 0.001 1 400 140 140 GLU N N 113.370 0.001 1 401 141 141 GLU H H 9.100 0.000 1 402 141 141 GLU CA C 56.142 0.000 1 403 141 141 GLU N N 119.902 0.021 1 404 142 142 PRO CA C 63.922 0.000 1 405 143 143 GLU H H 8.467 0.000 1 406 143 143 GLU CA C 61.985 0.009 1 407 143 143 GLU N N 128.203 0.009 1 408 144 144 LEU H H 8.012 0.001 1 409 144 144 LEU CA C 57.704 0.006 1 410 144 144 LEU N N 117.112 0.008 1 411 145 145 ASN H H 7.689 0.002 1 412 145 145 ASN CA C 54.959 0.005 1 413 145 145 ASN N N 119.795 0.086 1 414 146 146 ARG H H 7.655 0.000 1 415 146 146 ARG CA C 56.223 0.019 1 416 146 146 ARG N N 116.646 0.037 1 417 147 147 ASP H H 9.319 0.001 1 418 147 147 ASP CA C 53.991 0.000 1 419 147 147 ASP N N 123.561 0.005 1 420 149 149 PRO CA C 63.568 0.000 1 421 150 150 GLY H H 8.526 0.000 1 422 150 150 GLY CA C 45.192 0.001 1 423 150 150 GLY N N 113.668 0.001 1 424 151 151 ASP H H 7.091 0.000 1 425 151 151 ASP CA C 53.533 0.010 1 426 151 151 ASP N N 122.657 0.001 1 427 152 152 GLU H H 8.776 0.000 1 428 152 152 GLU CA C 57.488 0.026 1 429 152 152 GLU N N 126.445 0.000 1 430 153 153 ARG H H 8.636 0.001 1 431 153 153 ARG CA C 57.743 0.006 1 432 153 153 ARG N N 123.147 0.016 1 433 154 154 ASP H H 8.638 0.000 1 434 154 154 ASP CA C 56.196 0.008 1 435 154 154 ASP N N 111.763 0.064 1 436 155 155 THR H H 7.430 0.002 1 437 155 155 THR CA C 60.290 0.016 1 438 155 155 THR N N 106.636 0.008 1 439 156 156 THR H H 8.270 0.000 1 440 156 156 THR CA C 58.229 0.004 1 441 156 156 THR N N 114.854 0.005 1 442 157 157 THR H H 8.613 0.001 1 443 157 157 THR CA C 57.731 0.000 1 444 157 157 THR N N 112.173 0.013 1 445 158 158 PRO CA C 65.980 0.000 1 446 159 159 HIS H H 8.329 0.004 1 447 159 159 HIS CA C 55.756 0.000 1 448 159 159 HIS N N 112.903 0.001 1 449 160 160 ALA H H 8.177 0.000 1 450 160 160 ALA CA C 55.191 0.001 1 451 160 160 ALA N N 121.302 0.026 1 452 161 161 ILE H H 8.341 0.002 1 453 161 161 ILE CA C 61.674 0.016 1 454 161 161 ILE N N 117.482 0.006 1 455 162 162 ALA H H 7.845 0.001 1 456 162 162 ALA CA C 55.195 0.007 1 457 162 162 ALA N N 125.459 0.038 1 458 163 163 LEU H H 7.450 0.001 1 459 163 163 LEU CA C 57.747 0.005 1 460 163 163 LEU N N 116.964 0.030 1 461 164 164 VAL H H 7.756 0.001 1 462 164 164 VAL CA C 67.514 0.000 1 463 164 164 VAL N N 122.321 0.036 1 464 165 165 LEU H H 8.580 0.000 1 465 165 165 LEU CA C 57.956 0.005 1 466 165 165 LEU N N 120.909 0.006 1 467 166 166 GLN H H 8.747 0.000 1 468 166 166 GLN CA C 60.465 0.018 1 469 166 166 GLN N N 117.933 0.006 1 470 167 167 GLN H H 7.553 0.001 1 471 167 167 GLN CA C 59.723 0.003 1 472 167 167 GLN N N 118.260 0.016 1 473 168 168 LEU H H 7.747 0.001 1 474 168 168 LEU CA C 57.826 0.018 1 475 168 168 LEU N N 114.830 0.002 1 476 169 169 VAL H H 8.015 0.003 1 477 169 169 VAL CA C 64.710 0.009 1 478 169 169 VAL N N 114.777 0.063 1 479 170 170 LEU H H 7.691 0.000 1 480 170 170 LEU CA C 54.266 0.012 1 481 170 170 LEU N N 117.006 0.063 1 482 171 171 GLY H H 7.333 0.002 1 483 171 171 GLY CA C 44.505 0.011 1 484 171 171 GLY N N 109.959 0.022 1 485 172 172 ASN H H 8.636 0.000 1 486 172 172 ASN CA C 52.243 0.011 1 487 172 172 ASN N N 118.802 0.015 1 488 173 173 ALA H H 7.203 0.000 1 489 173 173 ALA CA C 55.356 0.013 1 490 173 173 ALA N N 122.771 0.023 1 491 174 174 LEU H H 9.294 0.001 1 492 174 174 LEU CA C 50.738 0.000 1 493 174 174 LEU N N 118.677 0.041 1 494 176 176 PRO CA C 66.361 0.000 1 495 177 177 ASP H H 8.707 0.001 1 496 177 177 ASP CA C 56.242 0.005 1 497 177 177 ASP N N 117.163 0.031 1 498 178 178 LYS H H 7.821 0.001 1 499 178 178 LYS CA C 59.483 0.002 1 500 178 178 LYS N N 122.850 0.034 1 501 179 179 ARG H H 8.735 0.002 1 502 179 179 ARG CA C 59.532 0.006 1 503 179 179 ARG N N 121.295 0.038 1 504 180 180 ALA H H 7.865 0.003 1 505 180 180 ALA CA C 54.741 0.016 1 506 180 180 ALA N N 121.245 0.048 1 507 181 181 LEU H H 6.807 0.001 1 508 181 181 LEU CA C 57.026 0.025 1 509 181 181 LEU N N 119.056 0.044 1 510 182 182 LEU H H 6.854 0.001 1 511 182 182 LEU CA C 58.577 0.009 1 512 182 182 LEU N N 117.643 0.016 1 513 183 183 THR H H 8.131 0.000 1 514 183 183 THR CA C 66.993 0.005 1 515 183 183 THR N N 112.101 0.001 1 516 184 184 ASP H H 7.591 0.001 1 517 184 184 ASP CA C 57.511 0.006 1 518 184 184 ASP N N 121.951 0.047 1 519 185 185 TRP H H 7.975 0.001 1 520 185 185 TRP CA C 61.744 0.003 1 521 185 185 TRP N N 118.133 0.021 1 522 186 186 MET H H 7.985 0.000 1 523 186 186 MET CA C 60.023 0.006 1 524 186 186 MET N N 114.537 0.014 1 525 187 187 ALA H H 8.979 0.001 1 526 187 187 ALA CA C 55.107 0.004 1 527 187 187 ALA N N 124.832 0.016 1 528 188 188 ARG H H 7.524 0.000 1 529 188 188 ARG CA C 55.256 0.001 1 530 188 188 ARG N N 115.921 0.052 1 531 189 189 ASN H H 7.331 0.000 1 532 189 189 ASN CA C 55.230 0.017 1 533 189 189 ASN N N 120.247 0.033 1 534 190 190 THR H H 8.606 0.000 1 535 190 190 THR CA C 62.759 0.034 1 536 190 190 THR N N 116.549 0.002 1 537 191 191 THR H H 7.688 0.000 1 538 191 191 THR CA C 63.403 0.021 1 539 191 191 THR N N 111.374 0.014 1 540 192 192 GLY H H 8.618 0.002 1 541 192 192 GLY CA C 46.198 0.000 1 542 192 192 GLY N N 112.572 0.050 1 543 193 193 ALA H H 8.250 0.003 1 544 193 193 ALA CA C 55.964 0.005 1 545 193 193 ALA N N 123.820 0.096 1 546 194 194 LYS H H 8.276 0.000 1 547 194 194 LYS CA C 55.229 0.003 1 548 194 194 LYS N N 112.003 0.018 1 549 195 195 ARG H H 6.900 0.000 1 550 195 195 ARG CA C 54.039 0.018 1 551 195 195 ARG N N 117.545 0.006 1 552 196 196 ILE H H 8.576 0.003 1 553 196 196 ILE CA C 67.019 0.015 1 554 196 196 ILE N N 126.342 0.025 1 555 197 197 ARG H H 9.725 0.000 1 556 197 197 ARG CA C 58.697 0.011 1 557 197 197 ARG N N 119.550 0.005 1 558 198 198 ALA H H 6.863 0.001 1 559 198 198 ALA CA C 53.338 0.008 1 560 198 198 ALA N N 119.515 0.009 1 561 199 199 GLY H H 7.974 0.001 1 562 199 199 GLY CA C 44.959 0.007 1 563 199 199 GLY N N 105.153 0.020 1 564 200 200 PHE H H 6.944 0.001 1 565 200 200 PHE CA C 55.429 0.000 1 566 200 200 PHE N N 118.968 0.004 1 567 201 201 PRO CA C 62.345 0.000 1 568 202 202 ALA H H 8.558 0.000 1 569 202 202 ALA CA C 54.964 0.014 1 570 202 202 ALA N N 122.330 0.088 1 571 203 203 ASP H H 8.755 0.000 1 572 203 203 ASP CA C 53.763 0.030 1 573 203 203 ASP N N 113.139 0.028 1 574 204 204 TRP H H 8.487 0.000 1 575 204 204 TRP CA C 57.759 0.000 1 576 204 204 TRP N N 123.084 0.024 1 577 205 205 LYS H H 8.573 0.000 1 578 205 205 LYS CA C 55.906 0.001 1 579 205 205 LYS N N 125.873 0.005 1 580 206 206 VAL H H 8.262 0.001 1 581 206 206 VAL CA C 61.934 0.014 1 582 206 206 VAL N N 123.983 0.030 1 583 207 207 ILE H H 9.000 0.000 1 584 207 207 ILE CA C 59.306 0.037 1 585 207 207 ILE N N 123.867 0.003 1 586 208 208 ASP H H 7.846 0.002 1 587 208 208 ASP CA C 54.202 0.039 1 588 208 208 ASP N N 121.466 0.018 1 589 209 209 LYS H H 8.505 0.001 1 590 209 209 LYS CA C 54.732 0.000 1 591 209 209 LYS N N 114.104 0.003 1 592 210 210 THR CA C 61.212 0.000 1 593 211 211 GLY H H 7.728 0.002 1 594 211 211 GLY CA C 48.196 0.000 1 595 211 211 GLY N N 103.564 0.053 1 596 212 212 THR CA C 63.103 0.000 1 597 213 213 GLY H H 8.862 0.000 1 598 213 213 GLY CA C 46.259 0.004 1 599 213 213 GLY N N 115.308 0.001 1 600 214 214 ASP H H 7.130 0.000 1 601 214 214 ASP CA C 55.206 0.021 1 602 214 214 ASP N N 119.741 0.131 1 603 215 215 TYR H H 8.538 0.000 1 604 215 215 TYR CA C 58.700 0.006 1 605 215 215 TYR N N 109.004 0.000 1 606 216 216 GLY H H 8.018 0.002 1 607 216 216 GLY CA C 46.931 0.002 1 608 216 216 GLY N N 104.515 0.027 1 609 217 217 ARG H H 7.122 0.001 1 610 217 217 ARG CA C 57.192 0.006 1 611 217 217 ARG N N 121.266 0.038 1 612 218 218 ALA H H 7.911 0.001 1 613 218 218 ALA CA C 52.149 0.005 1 614 218 218 ALA N N 122.546 0.015 1 615 219 219 ASN H H 9.404 0.002 1 616 219 219 ASN CA C 50.480 0.009 1 617 219 219 ASN N N 119.438 0.016 1 618 220 220 ASP H H 9.821 0.000 1 619 220 220 ASP CA C 55.730 0.000 1 620 220 220 ASP N N 124.518 0.003 1 621 221 221 ILE H H 8.099 0.004 1 622 221 221 ILE CA C 58.747 0.053 1 623 221 221 ILE N N 120.360 0.025 1 624 222 222 ALA H H 9.193 0.002 1 625 222 222 ALA CA C 50.671 0.009 1 626 222 222 ALA N N 125.897 0.008 1 627 223 223 VAL H H 8.092 0.000 1 628 223 223 VAL CA C 62.259 0.001 1 629 223 223 VAL N N 119.335 0.017 1 630 224 224 VAL H H 8.900 0.000 1 631 224 224 VAL CA C 57.483 0.000 1 632 224 224 VAL N N 121.489 0.010 1 633 225 225 TRP H H 9.389 0.000 1 634 225 225 TRP CA C 57.502 0.022 1 635 225 225 TRP N N 122.343 0.019 1 636 226 226 SER H H 8.858 0.001 1 637 226 226 SER CA C 55.675 0.000 1 638 226 226 SER N N 120.561 0.011 1 639 227 227 PRO CA C 64.728 0.000 1 640 228 228 THR H H 7.235 0.000 1 641 228 228 THR CA C 60.916 0.020 1 642 228 228 THR N N 105.179 0.001 1 643 229 229 GLY H H 8.269 0.000 1 644 229 229 GLY CA C 45.681 0.002 1 645 229 229 GLY N N 111.794 0.012 1 646 230 230 VAL H H 7.639 0.000 1 647 230 230 VAL CA C 60.597 0.000 1 648 230 230 VAL N N 125.083 0.007 1 649 231 231 PRO CA C 60.613 0.000 1 650 232 232 TYR H H 8.846 0.000 1 651 232 232 TYR CA C 56.141 0.021 1 652 232 232 TYR N N 116.811 0.009 1 653 233 233 VAL H H 8.502 0.001 1 654 233 233 VAL CA C 61.504 0.016 1 655 233 233 VAL N N 123.377 0.029 1 656 234 234 VAL H H 8.719 0.001 1 657 234 234 VAL CA C 60.676 0.008 1 658 234 234 VAL N N 122.798 0.023 1 659 235 235 ALA H H 8.728 0.001 1 660 235 235 ALA CA C 50.744 0.004 1 661 235 235 ALA N N 129.448 0.000 1 662 236 236 VAL H H 8.444 0.001 1 663 236 236 VAL CA C 60.470 0.004 1 664 236 236 VAL N N 119.612 0.007 1 665 237 237 MET H H 9.315 0.001 1 666 237 237 MET CA C 53.703 0.017 1 667 237 237 MET N N 126.220 0.012 1 668 238 238 SER H H 7.812 0.001 1 669 238 238 SER CA C 58.007 0.009 1 670 238 238 SER N N 114.289 0.026 1 671 239 239 ASP H H 9.379 0.000 1 672 239 239 ASP CA C 53.504 0.001 1 673 239 239 ASP N N 119.391 0.034 1 674 240 240 ARG H H 8.428 0.001 1 675 240 240 ARG CA C 54.686 0.012 1 676 240 240 ARG N N 119.245 0.020 1 677 241 241 ALA H H 8.819 0.001 1 678 241 241 ALA CA C 55.396 0.000 1 679 241 241 ALA N N 122.665 0.007 1 680 242 242 GLY H H 8.486 0.001 1 681 242 242 GLY CA C 46.181 0.003 1 682 242 242 GLY N N 106.845 0.033 1 683 243 243 GLY H H 8.045 0.001 1 684 243 243 GLY CA C 45.220 0.012 1 685 243 243 GLY N N 107.739 0.028 1 686 244 244 GLY H H 7.753 0.003 1 687 244 244 GLY CA C 44.383 0.011 1 688 244 244 GLY N N 108.034 0.044 1 689 245 245 TYR H H 8.493 0.001 1 690 245 245 TYR CA C 60.548 0.004 1 691 245 245 TYR N N 120.163 0.043 1 692 246 246 ASP H H 7.922 0.000 1 693 246 246 ASP CA C 52.433 0.001 1 694 246 246 ASP N N 118.038 0.050 1 695 247 247 ALA H H 7.134 0.000 1 696 247 247 ALA CA C 52.891 0.007 1 697 247 247 ALA N N 123.906 0.024 1 698 248 248 GLU H H 8.546 0.000 1 699 248 248 GLU CA C 54.706 0.000 1 700 248 248 GLU N N 125.038 0.014 1 701 249 249 PRO CA C 62.167 0.000 1 702 250 250 ARG H H 8.845 0.000 1 703 250 250 ARG CA C 52.805 0.012 1 704 250 250 ARG N N 122.909 0.009 1 705 251 251 GLU H H 8.582 0.000 1 706 251 251 GLU CA C 61.337 0.017 1 707 251 251 GLU N N 123.646 0.008 1 708 252 252 ALA H H 8.654 0.001 1 709 252 252 ALA CA C 54.539 0.009 1 710 252 252 ALA N N 119.542 0.034 1 711 253 253 LEU H H 6.371 0.000 1 712 253 253 LEU CA C 57.763 0.011 1 713 253 253 LEU N N 117.560 0.004 1 714 254 254 LEU H H 6.815 0.002 1 715 254 254 LEU CA C 58.727 0.018 1 716 254 254 LEU N N 117.224 0.047 1 717 255 255 ALA H H 7.251 0.000 1 718 255 255 ALA CA C 55.504 0.003 1 719 255 255 ALA N N 121.646 0.027 1 720 256 256 GLU H H 8.495 0.001 1 721 256 256 GLU CA C 61.033 0.009 1 722 256 256 GLU N N 118.773 0.015 1 723 257 257 ALA H H 8.512 0.001 1 724 257 257 ALA CA C 55.903 0.028 1 725 257 257 ALA N N 124.579 0.003 1 726 258 258 ALA H H 8.240 0.001 1 727 258 258 ALA CA C 55.249 0.011 1 728 258 258 ALA N N 119.648 0.009 1 729 259 259 THR H H 8.100 0.001 1 730 259 259 THR CA C 66.479 0.005 1 731 259 259 THR N N 116.794 0.010 1 732 260 260 CYS H H 7.476 0.001 1 733 260 260 CYS CA C 62.989 0.004 1 734 260 260 CYS N N 120.983 0.051 1 735 261 261 VAL H H 7.393 0.000 1 736 261 261 VAL CA C 66.548 0.005 1 737 261 261 VAL N N 119.558 0.018 1 738 262 262 ALA H H 8.352 0.002 1 739 262 262 ALA CA C 55.148 0.011 1 740 262 262 ALA N N 122.083 0.026 1 741 263 263 GLY H H 7.225 0.000 1 742 263 263 GLY CA C 46.252 0.014 1 743 263 263 GLY N N 101.291 0.005 1 744 264 264 VAL H H 7.320 0.000 1 745 264 264 VAL CA C 62.957 0.006 1 746 264 264 VAL N N 117.049 0.016 1 747 265 265 LEU H H 7.125 0.000 1 748 265 265 LEU CA C 55.117 0.007 1 749 265 265 LEU N N 120.440 0.045 1 750 266 266 ALA H H 7.147 0.000 1 751 266 266 ALA CA C 54.498 0.000 1 752 266 266 ALA N N 126.430 0.066 1 stop_ save_ save_T1_Free_850 _Saveframe_category T1_relaxation _Details 'T1 of 15N in backbone amides.' loop_ _Software_label $TOPSPIN $FuDa stop_ loop_ _Sample_label $sample_1 stop_ _Sample_conditions_label $sample_conditions_1 _Spectrometer_frequency_1H 850 _T1_coherence_type Sz _T1_value_units s _Mol_system_component_name BlaC _Text_data_format . _Text_data . loop_ _T1_ID _Residue_seq_code _Residue_label _Atom_name _T1_value _T1_value_error 1 3 LEU N 1.589255491 0.0361692 2 5 ASP N 1.62805144 0.030914003 3 6 ARG N 1.60511836 0.037987932 4 7 PHE N 1.619649828 0.03697532 5 8 ALA N 1.628717882 0.039008017 6 9 GLU N 1.647655599 0.043191209 7 10 LEU N 1.616525225 0.048814432 8 11 GLU N 1.670184859 0.030848942 9 12 ARG N 1.718045881 0.045799668 10 13 ARG N 1.58064046 0.041458699 11 14 TYR N 1.713497012 0.050453499 12 15 ASP N 1.821423363 0.048494761 13 17 ARG N 1.875822817 0.063214057 14 18 LEU N 1.822020604 0.139209035 15 19 GLY N 1.765661949 0.071269814 16 20 VAL N 1.789372689 0.065691027 17 21 TYR N 1.732249994 0.056719618 18 22 VAL N 1.855669963 0.070652126 19 24 ALA N 1.909576215 0.089697159 20 26 GLY N 1.641862481 0.137472242 21 27 THR N 1.572676255 0.049880717 22 28 THR N 1.725580016 0.063730679 23 29 ALA N 1.747011866 0.03586447 24 30 ALA N 1.669968253 0.036764247 25 32 GLU N 1.907697423 0.051443989 26 33 TYR N 1.943236725 0.053878738 27 34 ARG N 1.835619054 0.059602009 28 35 ALA N 1.818305385 0.032573953 29 36 ASP N 1.900272854 0.046389979 30 37 GLU N 1.635346137 0.040120075 31 38 ARG N 1.828355895 0.055514241 32 39 PHE N 1.805143402 0.073925302 33 40 ALA N 1.781235556 0.071013846 34 41 PHE N 1.495179304 0.087677526 35 42 CYS N 1.586489889 0.136628424 36 44 THR N 1.571298168 0.108383749 37 45 PHE N 1.501567735 0.067485187 38 46 LYS N 1.625250078 0.08899753 39 47 ALA N 1.725251395 0.068714271 40 49 LEU N 1.635247585 0.044879594 41 50 VAL N 1.764566308 0.099434272 42 51 ALA N 1.717019118 0.040315147 43 52 ALA N 1.668268118 0.040973333 44 53 VAL N 1.625216143 0.022653773 45 54 LEU N 1.738674477 0.063380358 46 55 HIS N 1.690391337 0.060355793 47 57 ASN N 1.734883676 0.03252763 48 60 THR N 1.581661979 0.060015297 49 61 HIS N 1.657501869 0.0627247 50 63 ASP N 1.654412274 0.032379854 51 64 LYS N 1.755573485 0.041836277 52 65 LEU N 1.79144928 0.060018934 53 66 ILE N 1.718949102 0.087158928 54 67 THR N 1.697069879 0.033328687 55 68 TYR N 1.663510734 0.036020224 56 69 THR N 1.681209182 0.065915277 57 70 SER N 1.806948395 0.048622012 58 71 ASP N 1.638027038 0.038217641 59 73 ILE N 1.808147688 0.04530898 60 74 ARG N 1.699214115 0.071176918 61 75 SER N 1.503880245 0.036027542 62 76 ILE N 1.609408587 0.135542554 63 77 SER N 1.708627329 0.12285813 64 79 VAL N 1.618791592 0.06193729 65 80 ALA N 1.86875993 0.203221376 66 81 GLN N 1.746710461 0.051115685 67 83 HIS N 1.819560204 0.064884756 68 84 VAL N 1.578776029 0.030112847 69 85 GLN N 1.571002139 0.035479471 70 86 THR N 1.704917837 0.049977883 71 87 GLY N 1.662975015 0.03976041 72 88 MET N 1.683985847 0.047784498 73 89 THR N 1.63919856 0.058408914 74 90 ILE N 1.727166479 0.065838986 75 91 GLY N 1.727338085 0.068997551 76 92 GLN N 1.69385999 0.023899698 77 93 LEU N 1.701563501 0.066988553 78 94 CYS N 1.772740663 0.062424904 79 95 ASP N 1.838884934 0.062095815 80 96 ALA N 1.756204932 0.046767624 81 97 ALA N 1.648522419 0.04745452 82 99 ARG N 1.828556378 0.138274932 83 102 ASP N 1.459242654 0.125616404 84 103 GLY N 1.518112903 0.089825108 85 105 ALA N 1.590490343 0.066087578 86 106 ALA N 1.648763512 0.056296777 87 107 ASN N 1.626004511 0.039562156 88 108 LEU N 1.576877866 0.064581792 89 111 ALA N 1.622683718 0.03384813 90 112 ASP N 1.560620307 0.066769269 91 114 GLY N 1.602656368 0.052164979 92 115 GLY N 1.399569865 0.027223848 93 117 GLY N 1.5004512 0.071002038 94 118 GLY N 1.401670835 0.030571509 95 119 GLY N 1.518297088 0.094170476 96 121 ALA N 1.623080386 0.038374923 97 122 ALA N 1.685255804 0.046906754 98 123 PHE N 1.681133084 0.054441196 99 124 THR N 1.73529153 0.069746149 100 125 GLY N 1.705437119 0.051790076 101 126 TYR N 1.603453089 0.041018537 102 127 LEU N 1.662488465 0.055680554 103 128 ARG N 1.737277648 0.058709666 104 129 SER N 1.692083111 0.046970377 105 130 LEU N 1.656747485 0.04612479 106 131 GLY N 1.798206146 0.05537039 107 132 ASP N 1.761924894 0.041532094 108 133 THR N 1.850765499 0.054891094 109 134 VAL N 1.590488101 0.054709637 110 135 SER N 1.66053772 0.070312333 111 136 ARG N 1.657162106 0.067464963 112 137 LEU N 1.746037644 0.061104586 113 138 ASP N 1.729044048 0.161678476 114 139 ALA N 2.069108539 0.080776384 115 141 GLU N 1.725410803 0.104750362 116 143 GLU N 1.679487083 0.051492126 117 144 LEU N 1.640850893 0.066092065 118 145 ASN N 1.71344275 0.08097692 119 147 ASP N 1.586677053 0.085087349 120 150 GLY N 1.71821268 0.075315425 121 151 ASP N 1.63800792 0.038124388 122 152 GLU N 1.607292193 0.052651555 123 153 ARG N 1.618292037 0.038696275 124 154 ASP N 1.787842406 0.120820442 125 155 THR N 1.603560722 0.04654917 126 156 THR N 1.744076885 0.066492998 127 157 THR N 1.782968606 0.056509038 128 159 HIS N 1.685034016 0.060583232 129 160 ALA N 1.568120553 0.022197252 130 161 ILE N 1.663257901 0.043434289 131 162 ALA N 1.516097663 0.035378028 132 163 LEU N 1.636985593 0.040598725 133 164 VAL N 1.750125663 0.048677177 134 165 LEU N 1.663315112 0.04717579 135 166 GLN N 1.655116938 0.043763009 136 167 GLN N 1.696240333 0.042532896 137 168 LEU N 1.713094869 0.053768789 138 169 VAL N 1.725807643 0.051135333 139 171 GLY N 1.88709366 0.041841896 140 172 ASN N 1.967591591 0.172314057 141 173 ALA N 1.714435878 0.031445178 142 174 LEU N 1.856920607 0.068140929 143 177 ASP N 1.532420513 0.028650488 144 178 LYS N 1.765152379 0.047580521 145 179 ARG N 1.635020059 0.055016285 146 180 ALA N 1.606374975 0.030882766 147 181 LEU N 1.695165662 0.040812593 148 182 LEU N 1.693148469 0.042277643 149 183 THR N 1.733582819 0.061641328 150 184 ASP N 1.62195641 0.04072312 151 185 TRP N 1.653602909 0.027308404 152 186 MET N 1.677779933 0.055954568 153 187 ALA N 1.648775528 0.041157775 154 188 ARG N 1.721871702 0.028610779 155 189 ASN N 1.606510605 0.031843227 156 191 THR N 1.45864846 0.064870042 157 192 GLY N 1.551594119 0.052349762 158 194 LYS N 1.892360768 0.05629646 159 195 ARG N 1.925397965 0.051683497 160 197 ARG N 1.741991925 0.133695416 161 198 ALA N 1.648334252 0.036922086 162 199 GLY N 1.827865621 0.064371147 163 200 PHE N 1.948626675 0.04650529 164 203 ASP N 1.764224705 0.03273938 165 204 TRP N 1.937365055 0.07121497 166 205 LYS N 1.858348683 0.058986654 167 207 ILE N 1.726746152 0.069999288 168 208 ASP N 1.722018659 0.034890823 169 211 GLY N 1.785146826 0.161214976 170 213 GLY N 1.866267974 0.079870837 171 214 ASP N 1.788577125 0.059222043 172 215 TYR N 1.716886953 0.089162478 173 216 GLY N 1.702613065 0.052666344 174 217 ARG N 1.700467521 0.041854579 175 218 ALA N 1.807966898 0.082378576 176 220 ASP N 1.777045352 0.065551278 177 221 ILE N 1.786466962 0.080043194 178 222 ALA N 1.763591547 0.061446398 179 223 VAL N 1.802731171 0.074357375 180 224 VAL N 1.589132914 0.053143729 181 225 TRP N 1.72676024 0.060299911 182 226 SER N 1.725084255 0.072454282 183 228 THR N 1.744023448 0.063624888 184 229 GLY N 1.697358527 0.040500711 185 230 VAL N 1.67514482 0.050933073 186 232 TYR N 1.780050255 0.06473569 187 233 VAL N 1.654334322 0.044988527 188 234 VAL N 1.8535153 0.064104928 189 235 ALA N 1.76864023 0.065828414 190 236 VAL N 1.946467463 0.067313714 191 237 MET N 1.890303184 0.071092093 192 238 SER N 1.883403318 0.05194783 193 240 ARG N 2.011297569 0.090653931 194 241 ALA N 1.586060917 0.034550412 195 242 GLY N 1.489687872 0.035603956 196 243 GLY N 1.494943977 0.027861519 197 244 GLY N 1.33446754 0.02521191 198 245 TYR N 1.583382208 0.041369673 199 247 ALA N 1.571989249 0.030164312 200 248 GLU N 1.744063432 0.052033244 201 250 ARG N 1.719333636 0.070132645 202 251 GLU N 1.588438979 0.05153251 203 252 ALA N 1.526830635 0.028538398 204 253 LEU N 1.695669801 0.049812911 205 254 LEU N 1.668041481 0.074153826 206 255 ALA N 1.609170506 0.038871233 207 256 GLU N 1.733949379 0.049233733 208 257 ALA N 1.661178343 0.041336234 209 258 ALA N 1.709684867 0.039210567 210 259 THR N 1.699418658 0.041537161 211 260 CYS N 1.672884308 0.039266004 212 261 VAL N 1.779538423 0.052536241 213 263 GLY N 1.728625106 0.041268674 214 264 VAL N 1.455088329 0.03300317 stop_ save_ save_T1_Free_600 _Saveframe_category T1_relaxation _Details 'T1 of 15N in backbone amides.' loop_ _Software_label $TOPSPIN $FuDa stop_ loop_ _Sample_label $sample_1 stop_ _Sample_conditions_label $sample_conditions_1 _Spectrometer_frequency_1H 600 _T1_coherence_type Sz _T1_value_units s _Mol_system_component_name BlaC _Text_data_format . _Text_data . loop_ _T1_ID _Residue_seq_code _Residue_label _Atom_name _T1_value _T1_value_error 1 3 LEU N 1.010313733 0.037739656 2 5 ASP N 1.069705455 0.034422558 3 6 ARG N 1.004034034 0.051476867 4 7 PHE N 1.046982742 0.043074595 5 8 ALA N 1.005910692 0.041968824 6 9 GLU N 1.06089689 0.039761722 7 10 LEU N 1.012668307 0.054401841 8 11 GLU N 1.08503133 0.032521458 9 12 ARG N 1.126876888 0.049100148 10 13 ARG N 1.021239234 0.043628925 11 14 TYR N 1.065370458 0.05852931 12 15 ASP N 1.133861761 0.054038597 13 17 ARG N 1.169933703 0.069692683 14 18 LEU N 1.258919883 0.156983361 15 19 GLY N 1.105028381 0.081496379 16 20 VAL N 1.086002163 0.063510341 17 21 TYR N 1.05896071 0.051053432 18 22 VAL N 1.18523617 0.069693949 19 24 ALA N 1.234568521 0.094710094 20 26 GLY N 1.340201251 0.285245111 21 27 THR N 1.065739183 0.071719886 22 28 THR N 1.140279418 0.058314163 23 29 ALA N 1.124543506 0.038569274 24 30 ALA N 1.097484774 0.04862155 25 32 GLU N 1.179535071 0.04959726 26 33 TYR N 1.258951749 0.05814978 27 34 ARG N 1.15023921 0.062219646 28 35 ALA N 1.174567052 0.042595225 29 36 ASP N 1.202604547 0.057253774 30 37 GLU N 1.041059462 0.045649761 31 38 ARG N 1.180956716 0.066541051 32 39 PHE N 1.102562039 0.089981717 33 40 ALA N 1.091224714 0.081564625 34 41 PHE N 0.964662511 0.102469196 35 42 CYS N 1.019768747 0.11519653 36 44 THR N 0.995904822 0.100075643 37 45 PHE N 0.92869334 0.076833476 38 46 LYS N 1.023564505 0.094815333 39 47 ALA N 1.095596589 0.068074595 40 49 LEU N 1.076106782 0.051361533 41 50 VAL N 1.079793056 0.088150203 42 51 ALA N 1.076912981 0.044157483 43 52 ALA N 1.052986261 0.038324574 44 53 VAL N 1.089064522 0.027700539 45 54 LEU N 1.079483027 0.064846334 46 55 HIS N 1.092162968 0.060680308 47 57 ASN N 1.135970925 0.039456522 48 60 THR N 0.968293745 0.08313988 49 61 HIS N 1.004928335 0.068350935 50 63 ASP N 1.048553638 0.036842494 51 64 LYS N 1.120514995 0.049226851 52 65 LEU N 1.164593888 0.062807835 53 66 ILE N 1.037982458 0.088208406 54 67 THR N 1.107341423 0.039325859 55 68 TYR N 1.089891447 0.038707771 56 69 THR N 1.114551441 0.074293556 57 70 SER N 1.127607316 0.057247202 58 71 ASP N 1.111362763 0.044946617 59 73 ILE N 1.149565251 0.046878144 60 74 ARG N 1.071924599 0.08450907 61 75 SER N 1.015598332 0.043456961 62 76 ILE N 1.070126212 0.135127971 63 77 SER N 1.100210634 0.15496017 64 79 VAL N 0.99615694 0.064085663 65 80 ALA N 1.161721701 0.136271727 66 81 GLN N 1.163330556 0.046447758 67 83 HIS N 1.143335054 0.072843552 68 84 VAL N 1.036699145 0.036043555 69 85 GLN N 1.047135853 0.040657186 70 86 THR N 1.147717632 0.059178617 71 87 GLY N 1.091069814 0.045527104 72 88 MET N 1.067545742 0.054148331 73 89 THR N 0.990955387 0.061945094 74 90 ILE N 1.088168201 0.073634435 75 91 GLY N 1.117581237 0.08408204 76 92 GLN N 1.080446991 0.027269418 77 93 LEU N 1.089398861 0.077097227 78 94 CYS N 1.099670231 0.06347919 79 95 ASP N 1.154118104 0.067273552 80 96 ALA N 1.121062223 0.048584621 81 97 ALA N 1.071595757 0.046965119 82 99 ARG N 1.141138439 0.111605882 83 102 ASP N 0.87250159 0.106251171 84 103 GLY N 0.943374671 0.089636549 85 105 ALA N 1.011646646 0.054394991 86 106 ALA N 1.046693372 0.047794315 87 107 ASN N 1.038533464 0.037799779 88 108 LEU N 0.954828731 0.066121117 89 111 ALA N 1.020433226 0.036624275 90 112 ASP N 0.989100011 0.066576026 91 114 GLY N 1.064891428 0.05950998 92 115 GLY N 0.966900963 0.032194021 93 117 GLY N 1.040985329 0.097261508 94 118 GLY N 1.003022201 0.039264862 95 119 GLY N 1.012587185 0.074328157 96 121 ALA N 1.106839727 0.037527697 97 122 ALA N 1.101293272 0.042924102 98 123 PHE N 1.04652106 0.049362879 99 124 THR N 1.055411701 0.067266439 100 125 GLY N 1.121649048 0.059033518 101 126 TYR N 1.02891426 0.039566075 102 127 LEU N 1.027776863 0.06071299 103 128 ARG N 1.066021383 0.062824819 104 129 SER N 1.043440506 0.046573124 105 130 LEU N 1.033250685 0.056897889 106 131 GLY N 1.107620347 0.049264342 107 132 ASP N 1.11213818 0.050984855 108 133 THR N 1.187757448 0.069269361 109 134 VAL N 1.02608712 0.0667223 110 135 SER N 1.086502709 0.069278828 111 136 ARG N 1.06349464 0.083401227 112 137 LEU N 1.078811522 0.074009518 113 138 ASP N 1.125433054 0.16994917 114 139 ALA N 1.312498947 0.071195323 115 141 GLU N 1.042437425 0.115032757 116 143 GLU N 1.137633594 0.059110434 117 144 LEU N 1.041030884 0.066569574 118 145 ASN N 1.036061045 0.076204949 119 147 ASP N 0.992938367 0.073325159 120 150 GLY N 1.093257823 0.090673785 121 151 ASP N 1.047080976 0.040187003 122 152 GLU N 1.044174448 0.055396183 123 153 ARG N 0.967023628 0.061980751 124 154 ASP N 1.054814937 0.142659021 125 155 THR N 1.047395112 0.059979171 126 156 THR N 1.058521362 0.078263363 127 157 THR N 1.097862682 0.053575752 128 159 HIS N 1.043665153 0.06957735 129 160 ALA N 1.038564882 0.0242598 130 161 ILE N 1.036356013 0.046969528 131 162 ALA N 0.990543573 0.034998579 132 163 LEU N 0.993465837 0.041779173 133 164 VAL N 1.035142451 0.051091976 134 165 LEU N 1.059409149 0.051423751 135 166 GLN N 1.08266263 0.049603909 136 167 GLN N 1.048483784 0.042810957 137 168 LEU N 1.069062683 0.053870176 138 169 VAL N 1.083669938 0.062152368 139 171 GLY N 1.211095435 0.0523884 140 172 ASN N 1.088731465 0.205843791 141 173 ALA N 1.131965208 0.043872485 142 174 LEU N 1.165764517 0.059950958 143 177 ASP N 1.017178238 0.039333576 144 178 LYS N 1.104945158 0.052662742 145 179 ARG N 1.005252159 0.064428313 146 180 ALA N 1.012516284 0.029418429 147 181 LEU N 1.059367164 0.04841572 148 182 LEU N 1.043303097 0.056483691 149 183 THR N 1.016744691 0.05954303 150 184 ASP N 1.059743601 0.044039102 151 185 TRP N 1.066922546 0.033578646 152 186 MET N 1.010791857 0.057824802 153 187 ALA N 1.03066252 0.046686686 154 188 ARG N 1.081316556 0.033464137 155 189 ASN N 1.025213048 0.037902784 156 191 THR N 0.943170604 0.073014886 157 192 GLY N 1.045546991 0.070190271 158 194 LYS N 1.143070149 0.052419298 159 195 ARG N 1.207761555 0.06008018 160 197 ARG N 1.066559276 0.112227367 161 198 ALA N 1.083653068 0.042897415 162 199 GLY N 1.159417162 0.065677691 163 200 PHE N 1.189359349 0.048998774 164 203 ASP N 1.170140882 0.03978289 165 204 TRP N 1.165982522 0.066783414 166 205 LYS N 1.120298561 0.054344058 167 207 ILE N 1.065028859 0.075850941 168 208 ASP N 1.083767513 0.031767456 169 211 GLY N 1.250080011 0.162487444 170 213 GLY N 1.161612505 0.09522969 171 214 ASP N 1.071007545 0.063093406 172 215 TYR N 1.038907856 0.098169272 173 216 GLY N 1.068637953 0.059341266 174 217 ARG N 1.091335797 0.054938251 175 218 ALA N 1.143210844 0.094374381 176 220 ASP N 1.080769705 0.062196735 177 221 ILE N 1.09128532 0.074172431 178 222 ALA N 1.102719642 0.060462927 179 223 VAL N 1.073013726 0.076237164 180 224 VAL N 0.975543229 0.05684873 181 225 TRP N 1.009706261 0.06119887 182 226 SER N 1.100844825 0.066763482 183 228 THR N 1.121717193 0.090116264 184 229 GLY N 1.006436621 0.045012312 185 230 VAL N 1.119619525 0.052645272 186 232 TYR N 1.115306929 0.069961771 187 233 VAL N 1.036331924 0.043266903 188 234 VAL N 1.178439987 0.063194735 189 235 ALA N 1.153558078 0.062423673 190 236 VAL N 1.189937701 0.059877505 191 237 MET N 1.197902845 0.06925347 192 238 SER N 1.195090497 0.057717209 193 240 ARG N 1.203740448 0.103428815 194 241 ALA N 1.040586421 0.035172384 195 242 GLY N 1.017135823 0.042383944 196 243 GLY N 1.042281406 0.033570474 197 244 GLY N 0.92310551 0.029163733 198 245 TYR N 0.991690064 0.046323988 199 247 ALA N 1.020431281 0.028675539 200 248 GLU N 1.128666583 0.051548277 201 250 ARG N 1.062276449 0.075890551 202 251 GLU N 1.025397942 0.061379429 203 252 ALA N 0.995056855 0.038979004 204 253 LEU N 1.069004098 0.078522572 205 254 LEU N 1.034954472 0.074143809 206 255 ALA N 1.053101419 0.04677677 207 256 GLU N 1.078631464 0.051977062 208 257 ALA N 1.102239976 0.052604161 209 258 ALA N 1.066944465 0.039536615 210 259 THR N 1.07664362 0.048645219 211 260 CYS N 1.05694174 0.046719023 212 261 VAL N 1.103602791 0.05898265 213 263 GLY N 1.109709649 0.052337007 214 264 VAL N 0.945115927 0.050136048 stop_ save_ save_T2_Free_850 _Saveframe_category T2_relaxation _Details 'T2 of 15N in backbone amides.' loop_ _Software_label $TOPSPIN $FuDa stop_ loop_ _Sample_label $sample_1 stop_ _Sample_conditions_label $sample_conditions_1 _Spectrometer_frequency_1H 850 _T2_coherence_type S(+,-) _T2_value_units s _Mol_system_component_name BlaC _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 3 LEU N 0.044126976 0.000728033 . . 2 5 ASP N 0.047373013 0.000509623 . . 3 6 ARG N 0.050447012 0.000832944 . . 4 7 PHE N 0.047430134 0.000726536 . . 5 8 ALA N 0.047146109 0.000664651 . . 6 9 GLU N 0.046474105 0.000656538 . . 7 10 LEU N 0.045271691 0.000877337 . . 8 11 GLU N 0.046390677 0.000441684 . . 9 12 ARG N 0.041489376 0.000670262 . . 10 13 ARG N 0.048747658 0.000766804 . . 11 14 TYR N 0.047777381 0.00081186 . . 12 15 ASP N 0.042409056 0.000747788 . . 13 17 ARG N 0.046907105 0.000941078 . . 14 18 LEU N 0.043387911 0.002014192 . . 15 19 GLY N 0.048838874 0.001238413 . . 16 20 VAL N 0.04648606 0.001100621 . . 17 21 TYR N 0.042336721 0.000770593 . . 18 22 VAL N 0.043352115 0.00110533 . . 19 24 ALA N 0.042843023 0.001276513 . . 20 26 GLY N 0.049703071 0.002079932 . . 21 27 THR N 0.04821364 0.000855057 . . 22 28 THR N 0.046656406 0.000675259 . . 23 29 ALA N 0.050918747 0.000643584 . . 24 30 ALA N 0.052447319 0.000567903 . . 25 32 GLU N 0.048546347 0.000789802 . . 26 33 TYR N 0.04371185 0.000794958 . . 27 34 ARG N 0.040252264 0.000979235 . . 28 35 ALA N 0.040256676 0.000528138 . . 29 36 ASP N 0.04400383 0.000800214 . . 30 37 GLU N 0.04664713 0.000696183 . . 31 38 ARG N 0.047956302 0.000949737 . . 32 39 PHE N 0.050807237 0.001254289 . . 33 40 ALA N 0.045244324 0.001383344 . . 34 41 PHE N 0.051251734 0.002226211 . . 35 42 CYS N 0.042556861 0.002392555 . . 36 44 THR N 0.033837926 0.001436555 . . 37 45 PHE N 0.040524891 0.001186186 . . 38 46 LYS N 0.044145965 0.001390871 . . 39 47 ALA N 0.041636151 0.00102835 . . 40 49 LEU N 0.045029493 0.00096111 . . 41 50 VAL N 0.040898887 0.001295369 . . 42 51 ALA N 0.04222847 0.000645036 . . 43 52 ALA N 0.046078555 0.000656133 . . 44 53 VAL N 0.074862661 0.000645312 . . 45 54 LEU N 0.042690004 0.000943759 . . 46 55 HIS N 0.039765573 0.001002552 . . 47 57 ASN N 0.043972946 0.000490673 . . 48 60 THR N 0.044685017 0.00099168 . . 49 61 HIS N 0.046453631 0.001290611 . . 50 63 ASP N 0.047395029 0.000641447 . . 51 64 LYS N 0.041099646 0.00065769 . . 52 65 LEU N 0.040974445 0.000885138 . . 53 66 ILE N 0.046412858 0.001472982 . . 54 67 THR N 0.04886747 0.000626058 . . 55 68 TYR N 0.050948935 0.000706804 . . 56 69 THR N 0.044420201 0.001262681 . . 57 70 SER N 0.04248202 0.000731302 . . 58 71 ASP N 0.042313418 0.000640989 . . 59 73 ILE N 0.045099031 0.000645434 . . 60 74 ARG N 0.047597744 0.001185049 . . 61 75 SER N 0.048182666 0.000699075 . . 62 76 ILE N 0.047180111 0.002112646 . . 63 77 SER N 0.045233351 0.001806539 . . 64 79 VAL N 0.041883122 0.001115383 . . 65 80 ALA N 0.04078351 0.00271252 . . 66 81 GLN N 0.038282867 0.000691199 . . 67 83 HIS N 0.04633252 0.001072109 . . 68 84 VAL N 0.047021163 0.000605423 . . 69 85 GLN N 0.038580731 0.000548361 . . 70 86 THR N 0.039578483 0.000808576 . . 71 87 GLY N 0.049327958 0.000697333 . . 72 88 MET N 0.043862585 0.000879434 . . 73 89 THR N 0.048427651 0.001086728 . . 74 90 ILE N 0.043141167 0.001204057 . . 75 91 GLY N 0.04042468 0.001160422 . . 76 92 GLN N 0.04531377 0.000437842 . . 77 93 LEU N 0.041036795 0.001202052 . . 78 94 CYS N 0.041684344 0.000867835 . . 79 95 ASP N 0.040947657 0.000823608 . . 80 96 ALA N 0.040840607 0.000651961 . . 81 97 ALA N 0.04118153 0.000782246 . . 82 99 ARG N 0.038051636 0.001705529 . . 83 102 ASP N 0.030044209 0.001607948 . . 84 103 GLY N 0.039765794 0.00162577 . . 85 105 ALA N 0.043785675 0.001185914 . . 86 106 ALA N 0.040666502 0.000809523 . . 87 107 ASN N 0.047682029 0.000667589 . . 88 108 LEU N 0.039294455 0.001131459 . . 89 111 ALA N 0.046487065 0.000605453 . . 90 112 ASP N 0.042219808 0.001149897 . . 91 114 GLY N 0.049788411 0.001038398 . . 92 115 GLY N 0.047856179 0.000595074 . . 93 117 GLY N 0.0598427 0.00128787 . . 94 118 GLY N 0.048671693 0.000639221 . . 95 119 GLY N 0.041636268 0.001750582 . . 96 121 ALA N 0.04106973 0.00059846 . . 97 122 ALA N 0.039047976 0.000656431 . . 98 123 PHE N 0.045677114 0.000864135 . . 99 124 THR N 0.039796113 0.000893015 . . 100 125 GLY N 0.040527737 0.000891662 . . 101 126 TYR N 0.043049357 0.000700772 . . 102 127 LEU N 0.043063191 0.001000747 . . 103 128 ARG N 0.042213866 0.000883031 . . 104 129 SER N 0.043702393 0.000691651 . . 105 130 LEU N 0.048877595 0.000816195 . . 106 131 GLY N 0.040569301 0.000757353 . . 107 132 ASP N 0.041474121 0.000690853 . . 108 133 THR N 0.046169828 0.000815975 . . 109 134 VAL N 0.043167206 0.001036053 . . 110 135 SER N 0.046112256 0.001248715 . . 111 136 ARG N 0.033801405 0.001008679 . . 112 137 LEU N 0.045876398 0.001050632 . . 113 138 ASP N 0.045391128 0.003150853 . . 114 139 ALA N 0.048656006 0.001166632 . . 115 141 GLU N 0.042000652 0.001524466 . . 116 143 GLU N 0.038617847 0.000769279 . . 117 144 LEU N 0.037230489 0.000950614 . . 118 145 ASN N 0.040120011 0.001272374 . . 119 147 ASP N 0.046356523 0.001429997 . . 120 150 GLY N 0.0495493 0.001211385 . . 121 151 ASP N 0.046970189 0.000564823 . . 122 152 GLU N 0.048826514 0.000914732 . . 123 153 ARG N 0.047340417 0.000622482 . . 124 154 ASP N 0.034153223 0.00150545 . . 125 155 THR N 0.042839348 0.000882999 . . 126 156 THR N 0.046137192 0.001132422 . . 127 157 THR N 0.047072424 0.000799049 . . 128 159 HIS N 0.047752907 0.001034765 . . 129 160 ALA N 0.05014802 0.000413481 . . 130 161 ILE N 0.041879383 0.000719918 . . 131 162 ALA N 0.040200556 0.000564683 . . 132 163 LEU N 0.044513959 0.000622585 . . 133 164 VAL N 0.046888694 0.00084557 . . 134 165 LEU N 0.046164423 0.000854221 . . 135 166 GLN N 0.043477689 0.00072839 . . 136 167 GLN N 0.044737954 0.000740179 . . 137 168 LEU N 0.045939834 0.000849473 . . 138 169 VAL N 0.046282992 0.00092133 . . 139 171 GLY N 0.053923775 0.000783343 . . 140 172 ASN N 0.047279565 0.001932682 . . 141 173 ALA N 0.046062787 0.000563511 . . 142 174 LEU N 0.042896095 0.000927929 . . 143 177 ASP N 0.046597754 0.000834218 . . 144 178 LYS N 0.05744683 0.000901522 . . 145 179 ARG N 0.046629103 0.001025245 . . 146 180 ALA N 0.047563056 0.000709682 . . 147 181 LEU N 0.046591677 0.000710199 . . 148 182 LEU N 0.046935322 0.000782973 . . 149 183 THR N 0.048119436 0.000985647 . . 150 184 ASP N 0.04732819 0.000796795 . . 151 185 TRP N 0.046197096 0.000528129 . . 152 186 MET N 0.046445207 0.000873791 . . 153 187 ALA N 0.04056661 0.000730972 . . 154 188 ARG N 0.046302892 0.000688376 . . 155 189 ASN N 0.0462564 0.000555536 . . 156 191 THR N 0.046601672 0.001109207 . . 157 192 GLY N 0.043233677 0.000883111 . . 158 194 LYS N 0.04879697 0.001008977 . . 159 195 ARG N 0.045156291 0.000701752 . . 160 197 ARG N 0.041758844 0.001919857 . . 161 198 ALA N 0.04496922 0.000565272 . . 162 199 GLY N 0.042223414 0.000916017 . . 163 200 PHE N 0.041926951 0.000570147 . . 164 203 ASP N 0.045544383 0.000596846 . . 165 204 TRP N 0.048351758 0.001150584 . . 166 205 LYS N 0.048846799 0.000941121 . . 167 207 ILE N 0.044346057 0.001081775 . . 168 208 ASP N 0.047132375 0.000756197 . . 169 211 GLY N 0.039960546 0.002161905 . . 170 213 GLY N 0.039084263 0.001156995 . . 171 214 ASP N 0.047073454 0.000888139 . . 172 215 TYR N 0.042661657 0.001575513 . . 173 216 GLY N 0.03842836 0.000837863 . . 174 217 ARG N 0.043998493 0.000779676 . . 175 218 ALA N 0.04783125 0.001352481 . . 176 220 ASP N 0.04277269 0.000882568 . . 177 221 ILE N 0.043043207 0.001172807 . . 178 222 ALA N 0.04469328 0.001002339 . . 179 223 VAL N 0.048383476 0.001198648 . . 180 224 VAL N 0.048280029 0.001064228 . . 181 225 TRP N 0.054314564 0.001274348 . . 182 226 SER N 0.050513872 0.001167671 . . 183 228 THR N 0.047209449 0.000990786 . . 184 229 GLY N 0.047484375 0.00085695 . . 185 230 VAL N 0.044526487 0.000762847 . . 186 232 TYR N 0.049899036 0.001108505 . . 187 233 VAL N 0.049121285 0.000787173 . . 188 234 VAL N 0.048751932 0.000892408 . . 189 235 ALA N 0.038801442 0.000856766 . . 190 236 VAL N 0.045517015 0.000948363 . . 191 237 MET N 0.043985064 0.001185733 . . 192 238 SER N 0.043039464 0.000787527 . . 193 240 ARG N 0.042679278 0.001237644 . . 194 241 ALA N 0.053292567 0.000630063 . . 195 242 GLY N 0.050503 0.000681347 . . 196 243 GLY N 0.05023783 0.000556208 . . 197 244 GLY N 0.052371945 0.000582099 . . 198 245 TYR N 0.04706889 0.000794698 . . 199 247 ALA N 0.044023932 0.000493292 . . 200 248 GLU N 0.045375448 0.000773335 . . 201 250 ARG N 0.056153226 0.001348851 . . 202 251 GLU N 0.048477761 0.000940721 . . 203 252 ALA N 0.043505858 0.000535597 . . 204 253 LEU N 0.043030836 0.000934856 . . 205 254 LEU N 0.042596204 0.000949052 . . 206 255 ALA N 0.0486685 0.00071542 . . 207 256 GLU N 0.043396636 0.00071696 . . 208 257 ALA N 0.040072962 0.000649031 . . 209 258 ALA N 0.045971736 0.000596828 . . 210 259 THR N 0.045410588 0.000645115 . . 211 260 CYS N 0.043721882 0.000638117 . . 212 261 VAL N 0.045148896 0.000799681 . . 213 263 GLY N 0.052006183 0.000881395 . . 214 264 VAL N 0.053791272 0.000935994 . . stop_ save_ save_T2_Free_600 _Saveframe_category T2_relaxation _Details 'T2 of 15N in backbone amides.' loop_ _Software_label $TOPSPIN $FuDa stop_ loop_ _Sample_label $sample_1 stop_ _Sample_conditions_label $sample_conditions_1 _Spectrometer_frequency_1H 600 _T2_coherence_type S(+,-) _T2_value_units s _Mol_system_component_name BlaC _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 3 LEU N 0.063528009 0.001449363 . . 2 5 ASP N 0.058216299 0.001292222 . . 3 6 ARG N 0.060935789 0.00182203 . . 4 7 PHE N 0.057142245 0.001640733 . . 5 8 ALA N 0.056794269 0.001548297 . . 6 9 GLU N 0.053686036 0.001462581 . . 7 10 LEU N 0.054444814 0.001889146 . . 8 11 GLU N 0.056678304 0.00118679 . . 9 12 ARG N 0.049624484 0.001700741 . . 10 13 ARG N 0.058127293 0.00175489 . . 11 14 TYR N 0.058025645 0.002194387 . . 12 15 ASP N 0.054440785 0.001644636 . . 13 17 ARG N 0.054968248 0.001841115 . . 14 18 LEU N 0.048475611 0.004302569 . . 15 19 GLY N 0.055856718 0.002278429 . . 16 20 VAL N 0.059682058 0.002098336 . . 17 21 TYR N 0.057589376 0.001876591 . . 18 22 VAL N 0.052823282 0.002072185 . . 19 24 ALA N 0.060648654 0.002621964 . . 20 26 GLY N 0.058251432 0.006497414 . . 21 27 THR N 0.062028392 0.002008585 . . 22 28 THR N 0.058596226 0.001634305 . . 23 29 ALA N 0.0564255 0.001552061 . . 24 30 ALA N 0.065714705 0.001137342 . . 25 32 GLU N 0.057272424 0.001517241 . . 26 33 TYR N 0.056439979 0.001687417 . . 27 34 ARG N 0.053301337 0.001808031 . . 28 35 ALA N 0.050275799 0.001005228 . . 29 36 ASP N 0.054381453 0.001430891 . . 30 37 GLU N 0.056223463 0.001487373 . . 31 38 ARG N 0.058208249 0.001897953 . . 32 39 PHE N 0.056024868 0.002521637 . . 33 40 ALA N 0.056663727 0.00243068 . . 34 41 PHE N 0.065893641 0.003606099 . . 35 42 CYS N 0.053008267 0.004221755 . . 36 44 THR N 0.042054937 0.002869933 . . 37 45 PHE N 0.050434917 0.002747867 . . 38 46 LYS N 0.051840395 0.002920059 . . 39 47 ALA N 0.051214006 0.002580473 . . 40 49 LEU N 0.058515741 0.001945712 . . 41 50 VAL N 0.048578985 0.002506024 . . 42 51 ALA N 0.051357874 0.001468362 . . 43 52 ALA N 0.055874615 0.00114299 . . 44 53 VAL N 0.086219692 0.001429104 . . 45 54 LEU N 0.049625914 0.002089298 . . 46 55 HIS N 0.0517138 0.001862585 . . 47 57 ASN N 0.054723989 0.001145444 . . 48 60 THR N 0.055745448 0.002365405 . . 49 61 HIS N 0.056609082 0.002371921 . . 50 63 ASP N 0.057164606 0.001236609 . . 51 64 LYS N 0.05549658 0.001421286 . . 52 65 LEU N 0.052263846 0.001633738 . . 53 66 ILE N 0.056803437 0.003174046 . . 54 67 THR N 0.061258362 0.001338977 . . 55 68 TYR N 0.063423549 0.001253048 . . 56 69 THR N 0.059063039 0.002445952 . . 57 70 SER N 0.053596389 0.001640564 . . 58 71 ASP N 0.052478938 0.001317975 . . 59 73 ILE N 0.05484526 0.001227937 . . 60 74 ARG N 0.05750343 0.002626052 . . 61 75 SER N 0.060109441 0.001484316 . . 62 76 ILE N 0.055937605 0.004246681 . . 63 77 SER N 0.05441029 0.004289973 . . 64 79 VAL N 0.054617171 0.002176216 . . 65 80 ALA N 0.056045041 0.004235085 . . 66 81 GLN N 0.049300712 0.001233877 . . 67 83 HIS N 0.05564236 0.002025409 . . 68 84 VAL N 0.059634227 0.001150327 . . 69 85 GLN N 0.052858867 0.001199812 . . 70 86 THR N 0.051800505 0.001452571 . . 71 87 GLY N 0.059050233 0.001400439 . . 72 88 MET N 0.056487827 0.002036059 . . 73 89 THR N 0.060976683 0.002538708 . . 74 90 ILE N 0.053662803 0.002053644 . . 75 91 GLY N 0.054087577 0.002929765 . . 76 92 GLN N 0.055002954 0.000825797 . . 77 93 LEU N 0.054464113 0.002439981 . . 78 94 CYS N 0.051639558 0.002003863 . . 79 95 ASP N 0.049140771 0.001866152 . . 80 96 ALA N 0.049191761 0.001578702 . . 81 97 ALA N 0.051423512 0.00140215 . . 82 99 ARG N 0.046129089 0.003418467 . . 83 102 ASP N 0.039665027 0.003193561 . . 84 103 GLY N 0.052969467 0.003572521 . . 85 105 ALA N 0.058290057 0.001964024 . . 86 106 ALA N 0.053653332 0.001707062 . . 87 107 ASN N 0.059687936 0.001532573 . . 88 108 LEU N 0.053281764 0.002344873 . . 89 111 ALA N 0.054457377 0.001266392 . . 90 112 ASP N 0.05528696 0.002538274 . . 91 114 GLY N 0.065138771 0.002346652 . . 92 115 GLY N 0.064534197 0.001250439 . . 93 117 GLY N 0.074391835 0.004413782 . . 94 118 GLY N 0.061456361 0.001434967 . . 95 119 GLY N 0.051637746 0.002307992 . . 96 121 ALA N 0.049228691 0.001081753 . . 97 122 ALA N 0.058462995 0.001367571 . . 98 123 PHE N 0.055831789 0.001804727 . . 99 124 THR N 0.049379292 0.001950619 . . 100 125 GLY N 0.053857862 0.001541987 . . 101 126 TYR N 0.054733469 0.001344629 . . 102 127 LEU N 0.053216613 0.001869438 . . 103 128 ARG N 0.049762006 0.001884656 . . 104 129 SER N 0.051242438 0.001477639 . . 105 130 LEU N 0.058446003 0.001742379 . . 106 131 GLY N 0.052169264 0.001817814 . . 107 132 ASP N 0.054343065 0.001373808 . . 108 133 THR N 0.055594807 0.001993934 . . 109 134 VAL N 0.0597587 0.002178068 . . 110 135 SER N 0.060513475 0.002372343 . . 111 136 ARG N 0.044681171 0.002374279 . . 112 137 LEU N 0.056252452 0.002451876 . . 113 138 ASP N 0.056092342 0.005415962 . . 114 139 ALA N 0.056450464 0.001974472 . . 115 141 GLU N 0.052186451 0.003230208 . . 116 143 GLU N 0.047930508 0.001314864 . . 117 144 LEU N 0.045267322 0.001853776 . . 118 145 ASN N 0.048591083 0.002484149 . . 119 147 ASP N 0.060484971 0.002632491 . . 120 150 GLY N 0.06073627 0.002895004 . . 121 151 ASP N 0.059218111 0.001357802 . . 122 152 GLU N 0.062862321 0.002243784 . . 123 153 ARG N 0.058978274 0.001113699 . . 124 154 ASP N 0.045197699 0.003610686 . . 125 155 THR N 0.054511125 0.001820958 . . 126 156 THR N 0.054052805 0.002221024 . . 127 157 THR N 0.058789258 0.001805023 . . 128 159 HIS N 0.055722598 0.002113231 . . 129 160 ALA N 0.061259536 0.00082154 . . 130 161 ILE N 0.052115246 0.001469092 . . 131 162 ALA N 0.05694467 0.001400823 . . 132 163 LEU N 0.05415892 0.001460136 . . 133 164 VAL N 0.058042332 0.001856063 . . 134 165 LEU N 0.055597878 0.001808666 . . 135 166 GLN N 0.054625777 0.001858304 . . 136 167 GLN N 0.05475587 0.001557098 . . 137 168 LEU N 0.060935782 0.002369639 . . 138 169 VAL N 0.053645917 0.001781296 . . 139 171 GLY N 0.070862164 0.001707357 . . 140 172 ASN N 0.055361429 0.006449165 . . 141 173 ALA N 0.055000833 0.001149055 . . 142 174 LEU N 0.052353826 0.001949506 . . 143 177 ASP N 0.057322616 0.001159428 . . 144 178 LYS N 0.072191877 0.002108924 . . 145 179 ARG N 0.054537618 0.002228814 . . 146 180 ALA N 0.056342964 0.001298759 . . 147 181 LEU N 0.058886807 0.00168522 . . 148 182 LEU N 0.056438052 0.001934974 . . 149 183 THR N 0.055769718 0.001944677 . . 150 184 ASP N 0.055599492 0.00145424 . . 151 185 TRP N 0.057614382 0.00111305 . . 152 186 MET N 0.055867736 0.002037947 . . 153 187 ALA N 0.054400991 0.001436638 . . 154 188 ARG N 0.054515152 0.000895847 . . 155 189 ASN N 0.057144374 0.001324672 . . 156 191 THR N 0.054960105 0.002380866 . . 157 192 GLY N 0.054985039 0.001997794 . . 158 194 LYS N 0.055949337 0.001675227 . . 159 195 ARG N 0.05244951 0.001474202 . . 160 197 ARG N 0.052057336 0.004199341 . . 161 198 ALA N 0.056608704 0.001455014 . . 162 199 GLY N 0.054461529 0.002273738 . . 163 200 PHE N 0.050896773 0.001475805 . . 164 203 ASP N 0.055948235 0.001094848 . . 165 204 TRP N 0.059106049 0.002122453 . . 166 205 LYS N 0.058218646 0.001857526 . . 167 207 ILE N 0.055708448 0.002706147 . . 168 208 ASP N 0.060458637 0.001292897 . . 169 211 GLY N 0.049149239 0.004671002 . . 170 213 GLY N 0.046601307 0.002315313 . . 171 214 ASP N 0.057325633 0.001757908 . . 172 215 TYR N 0.060415194 0.003342367 . . 173 216 GLY N 0.053154564 0.001901907 . . 174 217 ARG N 0.054399503 0.001754193 . . 175 218 ALA N 0.053879645 0.00272525 . . 176 220 ASP N 0.060804565 0.002146652 . . 177 221 ILE N 0.048874412 0.00235655 . . 178 222 ALA N 0.05301634 0.001893637 . . 179 223 VAL N 0.058012546 0.002462477 . . 180 224 VAL N 0.055902713 0.002280626 . . 181 225 TRP N 0.060671951 0.002278919 . . 182 226 SER N 0.056908601 0.002650248 . . 183 228 THR N 0.058569879 0.002528056 . . 184 229 GLY N 0.059709605 0.001520016 . . 185 230 VAL N 0.05859314 0.001801741 . . 186 232 TYR N 0.058160898 0.002185434 . . 187 233 VAL N 0.063925067 0.001743268 . . 188 234 VAL N 0.056233698 0.002017079 . . 189 235 ALA N 0.053698044 0.002234067 . . 190 236 VAL N 0.053923284 0.001739973 . . 191 237 MET N 0.054510315 0.0022728 . . 192 238 SER N 0.05099234 0.001599843 . . 193 240 ARG N 0.051621159 0.002439564 . . 194 241 ALA N 0.068092824 0.001286717 . . 195 242 GLY N 0.06306386 0.001481321 . . 196 243 GLY N 0.065971304 0.001265462 . . 197 244 GLY N 0.064874489 0.001220494 . . 198 245 TYR N 0.058394404 0.00168368 . . 199 247 ALA N 0.060278995 0.000988459 . . 200 248 GLU N 0.060917118 0.001558408 . . 201 250 ARG N 0.06471843 0.002965317 . . 202 251 GLU N 0.061005632 0.002224246 . . 203 252 ALA N 0.055367912 0.001223961 . . 204 253 LEU N 0.053393465 0.002295884 . . 205 254 LEU N 0.049061497 0.002072954 . . 206 255 ALA N 0.055322661 0.001653643 . . 207 256 GLU N 0.053734283 0.001549444 . . 208 257 ALA N 0.055880566 0.001432947 . . 209 258 ALA N 0.05610219 0.001474951 . . 210 259 THR N 0.054626984 0.001354848 . . 211 260 CYS N 0.054314711 0.001533989 . . 212 261 VAL N 0.053814213 0.00178917 . . 213 263 GLY N 0.056352334 0.001590795 . . 214 264 VAL N 0.063796195 0.001801524 . . stop_ save_ save_CPMG_Free_850 _Saveframe_category T2_relaxation _Details 'Dispersion of 15N R2 in backbone amides.' loop_ _Software_label $TOPSPIN $FuDa stop_ loop_ _Sample_label $sample_1 stop_ _Sample_conditions_label $sample_conditions_1 _Spectrometer_frequency_1H 850 _T2_coherence_type S(+,-) _T2_value_units s-1 _Mol_system_component_name BlaC _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 3 LEU N . . 0.075075 0.3027892 2 4 ALA N . . -0.041225 0.3695008 3 5 ASP N . . -0.388075 0.1144349 4 6 ARG N . . -0.07565 0.1966401 5 7 PHE N . . -0.48704 0.4026202 6 8 ALA N . . -0.103385 0.2956779 7 9 GLU N . . -0.82615 0.0775793 8 10 LEU N . . -0.910385 0.09524961 9 12 ARG N . . -0.17818 0.07806167 10 13 ARG N . . -0.175425 0.3340629 11 14 TYR N . . -0.637015 0.09051103 12 15 ASP N . . -0.11004 0.1720844 13 16 ALA N . . -0.1368305 3.296739 14 17 ARG N . . -0.376105 0.2571723 15 18 LEU N . . 0.08044 0.5412688 16 19 GLY N . . -1.14611 0.1468513 17 20 VAL N . . -0.57619 0.2097914 18 21 TYR N . . -0.47408 0.124226 19 22 VAL N . . -0.74749 0.2547002 20 24 ALA N . . -0.3871 0.2069146 21 26 GLY N . . -1.630575 0.4982057 22 27 THR N . . -0.72382 0.1257436 23 28 THR N . . -0.56984 0.265835 24 29 ALA N . . -0.1072 0.1535246 25 30 ALA N . . 0.792985 1.208231 26 31 ILE N . . -0.826335 0.2722491 27 32 GLU N . . -0.36777 0.0929819 28 33 TYR N . . -0.589125 0.23527 29 34 ARG N . . -0.070085 0.6128882 30 35 ALA N . . -0.6166 0.1468829 31 36 ASP N . . -0.69458 0.1370247 32 37 GLU N . . -0.15966 0.09560837 33 38 ARG N . . -0.789505 0.3477415 34 39 PHE N . . 1.11514 0.3035305 35 40 ALA N . . 0.019185 0.1212414 36 41 PHE N . . 4.039765 1.23289 37 42 CYS N . . 4.979535 0.2738859 38 44 THR N . . 8.873485 0.2596719 39 45 PHE N . . 4.418565 0.4859864 40 46 LYS N . . -0.295045 0.3838551 41 47 ALA N . . -0.684495 0.2620626 42 49 LEU N . . 1.944665 0.9964488 43 50 VAL N . . -0.68454 0.4914844 44 51 ALA N . . -0.56893 0.1476006 45 52 ALA N . . -0.217735 0.2052327 46 53 VAL N . . -0.692255 0.16682 47 54 LEU N . . -0.390095 0.1777666 48 55 HIS N . . -0.75434 0.1147503 49 56 GLN N . . -0.645675 0.2159187 50 57 ASN N . . -0.15157 0.1125406 51 59 LEU N . . -0.70535 0.2299127 52 60 THR N . . -1.263625 0.2943103 53 61 HIS N . . -0.61896 0.1771721 54 62 LEU N . . -0.74902 0.294575 55 63 ASP N . . -0.230155 0.2065342 56 64 LYS N . . -0.045345 0.1432978 57 65 LEU N . . -0.271145 0.06553293 58 66 ILE N . . 0.662335 0.346103 59 67 THR N . . -0.21884 0.1673847 60 68 TYR N . . 0.32216 0.09494181 61 69 THR N . . 0.27647 0.1881241 62 70 SER N . . -1.00487 0.1058013 63 71 ASP N . . -0.54262 0.1633891 64 72 ASP N . . -1.250895 0.4655835 65 73 ILE N . . -0.32345 1.590916 66 74 ARG N . . 0.440445 0.111355 67 75 SER N . . -0.587235 0.2113062 68 76 ILE N . . -0.358515 0.2727297 69 77 SER N . . 0.20019 0.25558 70 79 VAL N . . -0.685815 0.1102842 71 80 ALA N . . 1.17154 0.3681349 72 81 GLN N . . -0.7034 0.2063667 73 82 GLN N . . -0.349785 0.2997551 74 83 HIS N . . -0.59585 0.2654091 75 84 VAL N . . -0.36283 0.2265985 76 85 GLN N . . -0.06873 0.12396 77 86 THR N . . 0.81144 0.1516293 78 87 GLY N . . -0.23685 0.1047789 79 88 MET N . . 0.13844 0.2049552 80 89 THR N . . -0.566005 0.2817512 81 90 ILE N . . -0.01133 0.8208807 82 91 GLY N . . -0.93334 0.1387691 83 93 LEU N . . -0.23575 0.1376913 84 94 CYS N . . -0.004635 0.1897389 85 95 ASP N . . -0.120145 0.3478357 86 96 ALA N . . -0.75043 0.2237277 87 97 ALA N . . 0.34202 0.4145681 88 98 ILE N . . 0.551115 0.04994464 89 99 ARG N . . 1.42404 0.4493479 90 100 TYR N . . -0.787595 0.1807908 91 102 ASP N . . 1.833975 0.1922319 92 103 GLY N . . 5.258845 0.4756468 93 104 THR N . . -0.067625 1.65641 94 105 ALA N . . -0.13465 0.1581051 95 106 ALA N . . -0.16363 0.1025156 96 107 ASN N . . -0.165875 0.1472298 97 108 LEU N . . 0.27985 0.8159489 98 109 LEU N . . -0.35509 0.1754355 99 110 LEU N . . -0.59763 0.7486728 100 111 ALA N . . -0.2266 0.04740486 101 112 ASP N . . -0.577655 0.3102137 102 114 GLY N . . -1.53868 0.2182001 103 115 GLY N . . 0.223595 0.1743365 104 117 GLY N . . -0.707335 0.1881237 105 118 GLY N . . -0.7436 0.08662143 106 119 GLY N . . 1.05985 0.4879504 107 121 ALA N . . -0.101955 0.1445707 108 122 ALA N . . -0.2433 0.1920283 109 123 PHE N . . -0.2147 0.5010272 110 124 THR N . . 0.047495 0.503654 111 125 GLY N . . -1.14598 0.06928984 112 126 TYR N . . -0.344725 0.1169122 113 127 LEU N . . -0.4172 0.4496239 114 128 ARG N . . -0.351185 0.1734717 115 129 SER N . . -0.300805 0.238228 116 130 LEU N . . -0.45988 0.2062497 117 131 GLY N . . -0.80555 0.2276961 118 132 ASP N . . -0.77897 0.3037842 119 133 THR N . . -0.73214 0.09294393 120 134 VAL N . . 0.2242 0.5134971 121 135 SER N . . 0.216255 0.1596638 122 136 ARG N . . 2.31261 0.1565176 123 137 LEU N . . 0.73326 0.1549591 124 138 ASP N . . -0.02961 0.3080305 125 139 ALA N . . 1.804835 0.2315163 126 140 GLU N . . 0.58038 0.04711869 127 141 GLU N . . 6.274925 0.2176577 128 143 GLU N . . 7.11153 0.04480523 129 144 LEU N . . 0.078505 0.3090458 130 145 ASN N . . 7.54768 0.6484063 131 146 ARG N . . 8.12178 1.199982 132 147 ASP N . . -0.078835 0.2692054 133 151 ASP N . . 0.439045 0.1851507 134 152 GLU N . . 0.325535 0.1259831 135 153 ARG N . . -0.611875 0.3723236 136 154 ASP N . . 2.85976 0.8479835 137 155 THR N . . 0.222265 0.08259964 138 156 THR N . . -0.640765 0.267837 139 157 THR N . . -1.49442 0.1361519 140 159 HIS N . . -1.494995 0.05412403 141 160 ALA N . . -0.507925 1.549565 142 161 ILE N . . -0.945755 0.1975575 143 162 ALA N . . -0.789195 0.2014363 144 163 LEU N . . -0.456015 0.2748684 145 164 VAL N . . -0.43089 0.333407 146 165 LEU N . . -0.758565 0.228695 147 166 GLN N . . -0.739805 0.1633884 148 167 GLN N . . -0.30338 0.1256971 149 168 LEU N . . -1.00197 0.2392059 150 169 VAL N . . -1.018885 0.3987695 151 170 LEU N . . -0.18888 0.7951778 152 171 GLY N . . -0.874025 0.1983989 153 172 ASN N . . -1.632295 0.0654245 154 173 ALA N . . -0.58755 0.1343864 155 174 LEU N . . -0.6639 0.1313733 156 177 ASP N . . -0.49754 0.07659443 157 178 LYS N . . -0.079095 0.1990036 158 179 ARG N . . -0.20417 0.5268958 159 180 ALA N . . -0.110395 0.196162 160 181 LEU N . . -0.183825 0.2069275 161 182 LEU N . . -0.99002 0.2165734 162 183 THR N . . -0.558225 0.1674594 163 184 ASP N . . -0.33018 0.1043648 164 185 TRP N . . -0.22857 0.135975 165 186 MET N . . -0.51778 0.3347855 166 187 ALA N . . 2.670415 0.08225012 167 188 ARG N . . -0.282685 0.647083 168 189 ASN N . . -0.469005 0.9943124 169 190 THR N . . 17.21558 0.901357 170 191 THR N . . 3.05717 0.1875214 171 192 GLY N . . 4.09912 0.1034081 172 193 ALA N . . 9.790215 1.257845 173 194 LYS N . . -0.701855 0.8646131 174 195 ARG N . . -0.362615 0.1762413 175 196 ILE N . . 0.900765 0.5210307 176 197 ARG N . . -0.61147 0.2846029 177 198 ALA N . . -0.52428 0.1012806 178 199 GLY N . . -1.038035 0.1216673 179 200 PHE N . . 0.224395 0.08187233 180 202 ALA N . . -0.02884 0.3135645 181 203 ASP N . . -0.662575 0.0816219 182 204 TRP N . . -0.18497 0.5212573 183 205 LYS N . . -0.29282 0.1598592 184 206 VAL N . . -0.122095 0.378888 185 207 ILE N . . 0.043975 0.2199043 186 208 ASP N . . 0.72009 0.4476607 187 211 GLY N . . 12.69074 0.6204757 188 213 GLY N . . 2.265815 0.1580901 189 214 ASP N . . -0.519925 0.3134055 190 215 TYR N . . -0.61895 0.09553485 191 216 GLY N . . -0.17426 0.2754772 192 217 ARG N . . 0.375155 0.287809 193 218 ALA N . . 1.232315 0.6330104 194 219 ASN N . . -0.505965 0.3898876 195 220 ASP N . . 4.061015 0.2218501 196 221 ILE N . . 0.03908 1.374755 197 222 ALA N . . 0.346735 0.02837043 198 223 VAL N . . -0.78669 0.3588262 199 224 VAL N . . -0.291675 0.4069736 200 225 TRP N . . 0.3865 0.2991403 201 226 SER N . . -0.32882 0.1681295 202 228 THR N . . -1.2121 0.05835022 203 229 GLY N . . -0.443725 1.010064 204 230 VAL N . . -0.11029 0.1177995 205 232 TYR N . . -0.328405 0.1187562 206 233 VAL N . . 0.00525 0.5335563 207 234 VAL N . . -0.41033 0.2766643 208 235 ALA N . . -0.61139 0.1485527 209 236 VAL N . . -0.589705 0.40926 210 237 MET N . . -0.16051 0.2822018 211 238 SER N . . -0.2413 0.1378549 212 239 ASP N . . 0.632295 0.183514 213 240 ARG N . . -0.74669 0.3381733 214 241 ALA N . . -0.20216 0.3164226 215 242 GLY N . . -0.9922 0.1921364 216 243 GLY N . . -0.720745 0.09995259 217 244 GLY N . . -0.947425 0.4100748 218 245 TYR N . . -0.24213 0.117487 219 246 ASP N . . 0.36091 0.1597597 220 247 ALA N . . -0.18091 0.07666933 221 248 GLU N . . -0.042635 0.1440477 222 250 ARG N . . 0.24896 0.1879757 223 251 GLU N . . 0.04925 0.3269368 224 252 ALA N . . -0.151035 0.1494046 225 253 LEU N . . -0.822315 0.2051077 226 254 LEU N . . -0.55558 0.1887235 227 255 ALA N . . -0.23074 0.1435761 228 256 GLU N . . -0.1914 0.2936041 229 257 ALA N . . -0.180095 0.1530908 230 258 ALA N . . -0.57981 0.1807706 231 259 THR N . . -0.70611 0.3514418 232 260 CYS N . . -0.483185 0.2408023 233 261 VAL N . . -0.94805 0.2033813 234 262 ALA N . . -0.74608 0.6906784 235 263 GLY N . . -0.720075 0.1994877 236 264 VAL N . . -0.335905 0.1893319 237 265 LEU N . . -0.358 0.2402612 238 266 ALA N . . 0.016632 0.05604104 stop_ save_ save_CPMG_Free_600 _Saveframe_category T2_relaxation _Details 'Dispersion of 15N R2 in backbone amides.' loop_ _Software_label $TOPSPIN $FuDa stop_ loop_ _Sample_label $sample_1 stop_ _Sample_conditions_label $sample_conditions_1 _Spectrometer_frequency_1H 600 _T2_coherence_type S(+,-) _T2_value_units s-1 _Mol_system_component_name BlaC _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 3 LEU N . . -0.458565 0.4059975 2 4 ALA N . . -0.107865 1.493491 3 5 ASP N . . 0.050585 0.3138052 4 6 ARG N . . -0.49136 0.3193141 5 7 PHE N . . -0.303345 0.4903856 6 8 ALA N . . -0.304395 0.125324 7 9 GLU N . . -0.557555 0.5942755 8 10 LEU N . . 0.787055 0.0514068 9 11 GLU N . . -0.809695 1.159858 10 12 ARG N . . -0.644605 0.2574684 11 13 ARG N . . -0.50822 0.2142214 12 14 TYR N . . -0.76217 0.1241436 13 15 ASP N . . -0.62803 0.2189807 14 17 ARG N . . -0.58217 0.2253792 15 18 LEU N . . -0.30667 0.915139 16 19 GLY N . . -1.40425 0.2736096 17 20 VAL N . . -0.41773 0.4948946 18 21 TYR N . . -0.66012 0.5795874 19 22 VAL N . . 0.02917 0.3756653 20 24 ALA N . . -0.572525 0.4252247 21 25 THR N . . -0.33797 0.7494076 22 26 GLY N . . -2.45191 0.6187754 23 27 THR N . . -0.39246 0.5139552 24 28 THR N . . -0.48744 0.1434589 25 29 ALA N . . 0.33001 0.3819177 26 30 ALA N . . -0.241665 0.1365283 27 31 ILE N . . -0.06882 0.5145931 28 33 TYR N . . -0.645555 0.6754711 29 34 ARG N . . -0.15633 0.4122071 30 35 ALA N . . -0.428105 0.2644499 31 36 ASP N . . -0.76814 0.2309661 32 38 ARG N . . -1.32076 0.4283478 33 39 PHE N . . 0.497365 0.6028613 34 40 ALA N . . -0.43625 0.4869986 35 41 PHE N . . 0.39526 0.237899 36 42 CYS N . . 1.934135 0.6753622 37 44 THR N . . 3.81944 0.9584039 38 45 PHE N . . 1.34844 0.6914615 39 46 LYS N . . -0.62308 1.12338 40 47 ALA N . . -0.7911 0.4652998 41 50 VAL N . . -0.972585 0.4485407 42 52 ALA N . . -0.917645 0.395073 43 53 VAL N . . 0.22961 0.2229616 44 54 LEU N . . -0.38132 0.6887587 45 55 HIS N . . -0.930815 0.2431568 46 56 GLN N . . -0.72141 0.1489592 47 57 ASN N . . -0.33196 0.1492573 48 59 LEU N . . -1.42241 2.235201 49 60 THR N . . -1.43441 0.4366263 50 61 HIS N . . -0.79847 0.2128645 51 62 LEU N . . -0.556115 0.7714439 52 63 ASP N . . -0.444665 0.1978317 53 64 LYS N . . -0.480725 0.3463922 54 65 LEU N . . -0.310585 0.6472796 55 66 ILE N . . 0.638505 0.7303534 56 67 THR N . . -0.667625 0.452111 57 68 TYR N . . 0.79503 0.2278241 58 69 THR N . . -0.996885 0.3312839 59 70 SER N . . -0.917705 0.3947878 60 71 ASP N . . -0.345725 0.2334016 61 72 ASP N . . -2.08754 5.430367 62 73 ILE N . . 0.311895 0.8202012 63 74 ARG N . . -0.19963 0.3895633 64 75 SER N . . -1.41312 0.4783637 65 76 ILE N . . -0.56256 0.6261237 66 77 SER N . . 0.041305 0.4978292 67 79 VAL N . . -0.68236 0.5029896 68 80 ALA N . . 0.76855 1.118744 69 81 GLN N . . -0.54919 0.1713316 70 82 GLN N . . -0.551735 0.2521034 71 83 HIS N . . -0.63609 0.3073281 72 84 VAL N . . -0.264415 0.4787533 73 85 GLN N . . -0.265815 0.2403603 74 86 THR N . . 0.3474 0.2716029 75 87 GLY N . . -1.047585 0.3364731 76 88 MET N . . -0.14049 0.135252 77 89 THR N . . -0.59668 0.2730583 78 90 ILE N . . -0.694045 1.235599 79 91 GLY N . . -1.408885 0.7403859 80 92 GLN N . . -0.118355 0.2990377 81 93 LEU N . . -0.60494 0.4685211 82 94 CYS N . . 0.140735 0.6972853 83 95 ASP N . . -0.411785 0.2853368 84 96 ALA N . . -1.2577 0.2932359 85 97 ALA N . . -0.03359 0.6671741 86 98 ILE N . . -0.691015 0.1657638 87 99 ARG N . . 0.53296 1.203077 88 100 TYR N . . -1.508775 0.2658921 89 102 ASP N . . 0.67895 0.8662874 90 103 GLY N . . 1.14351 0.3259933 91 104 THR N . . -0.210715 0.2822593 92 105 ALA N . . 0.01935 0.3842704 93 106 ALA N . . -0.949905 0.3473304 94 107 ASN N . . 0.39845 0.5496376 95 108 LEU N . . 0.200505 0.4755342 96 109 LEU N . . -0.30774 0.3629678 97 111 ALA N . . -0.263335 0.2857465 98 112 ASP N . . -0.131465 0.238788 99 113 LEU N . . -0.10435 2.33274 100 114 GLY N . . -0.68757 0.310924 101 115 GLY N . . -0.83237 0.2626198 102 117 GLY N . . -0.65946 0.2502814 103 118 GLY N . . -0.596315 0.2507088 104 119 GLY N . . -0.741575 0.1695067 105 121 ALA N . . -0.131875 0.228337 106 122 ALA N . . -0.368255 0.415803 107 123 PHE N . . -0.617635 0.6060818 108 124 THR N . . -0.822135 0.4345232 109 125 GLY N . . -1.237955 0.2831271 110 126 TYR N . . -0.998345 0.2845819 111 127 LEU N . . -0.104985 1.050551 112 128 ARG N . . -0.71593 0.2790998 113 129 SER N . . -0.194985 0.7658747 114 130 LEU N . . -0.56384 0.4201459 115 131 GLY N . . -0.12541 0.8638918 116 133 THR N . . -0.838285 0.64152 117 134 VAL N . . -0.36401 0.637785 118 135 SER N . . -0.175095 0.4863233 119 136 ARG N . . 1.391385 0.5458791 120 137 LEU N . . -0.329335 0.2484442 121 138 ASP N . . -0.72352 0.5207572 122 139 ALA N . . 0.079615 0.3373165 123 140 GLU N . . -0.82373 0.8516019 124 141 GLU N . . 2.11467 0.5863443 125 143 GLU N . . 2.451275 0.1995593 126 144 LEU N . . -0.26723 0.3371263 127 145 ASN N . . 3.210075 1.080248 128 146 ARG N . . 4.427955 3.889788 129 147 ASP N . . 0.031725 0.6277145 130 150 GLY N . . -1.009745 0.03900103 131 151 ASP N . . -0.40232 0.6286883 132 152 GLU N . . -0.04873 0.131746 133 153 ARG N . . -0.36258 1.148211 134 154 ASP N . . 0.71932 0.3916253 135 155 THR N . . -0.63113 0.2365004 136 156 THR N . . -0.087185 0.2730363 137 157 THR N . . -4.231059 8.272776 138 159 HIS N . . -1.00169 0.6777467 139 160 ALA N . . -2.029595 5.986563 140 161 ILE N . . -0.67572 0.2730752 141 162 ALA N . . -0.657925 0.4535231 142 163 LEU N . . -0.331365 0.3316873 143 164 VAL N . . -0.48597 0.4795343 144 165 LEU N . . -0.414645 0.3132068 145 166 GLN N . . -0.971925 0.455483 146 167 GLN N . . -0.43625 0.5253442 147 168 LEU N . . -0.24694 0.7704262 148 169 VAL N . . -1.006665 1.359364 149 170 LEU N . . -1.116845 0.4464787 150 171 GLY N . . -1.403505 0.5439309 151 172 ASN N . . -0.56283 0.7536115 152 173 ALA N . . -1.13396 0.2642361 153 174 LEU N . . -0.491235 0.3652179 154 177 ASP N . . -0.22249 0.2944657 155 178 LYS N . . -0.325215 0.3032381 156 179 ARG N . . -0.778175 0.4916325 157 180 ALA N . . -0.4723 0.4006038 158 181 LEU N . . -0.949875 0.2459465 159 182 LEU N . . -0.34424 0.4243856 160 183 THR N . . -0.78967 0.3127569 161 184 ASP N . . -0.09223 0.4964805 162 185 TRP N . . -0.425095 0.148247 163 186 MET N . . -0.190545 0.5876139 164 187 ALA N . . 0.57322 0.4071075 165 188 ARG N . . -0.658945 1.259997 166 189 ASN N . . -0.919125 2.621585 167 190 THR N . . 5.229735 0.414378 168 191 THR N . . 0.793075 0.2888542 169 192 GLY N . . 0.69265 0.9248881 170 193 ALA N . . 2.53971 0.4593738 171 194 LYS N . . -2.822345 3.09302 172 195 ARG N . . -0.378645 0.6956827 173 196 ILE N . . -0.142085 1.222657 174 197 ARG N . . -0.728615 0.7504479 175 198 ALA N . . -0.74068 0.4518953 176 199 GLY N . . -1.611135 0.3796253 177 200 PHE N . . -0.85171 0.186059 178 202 ALA N . . -0.02345 0.5893346 179 203 ASP N . . -1.140115 0.08565413 180 205 LYS N . . -0.27388 0.4374099 181 206 VAL N . . -0.39784 0.4614223 182 207 ILE N . . -0.2756 0.5997755 183 208 ASP N . . -0.425365 0.3925991 184 211 GLY N . . 8.5016 1.048707 185 213 GLY N . . 0.44865 0.7329219 186 214 ASP N . . -0.494835 0.9554514 187 215 TYR N . . -0.579035 0.7602122 188 216 GLY N . . -0.86051 0.5406326 189 217 ARG N . . -0.17503 0.2522944 190 218 ALA N . . 2.18938 0.7397183 191 219 ASN N . . -0.5964 1.567258 192 220 ASP N . . 0.96085 0.212953 193 222 ALA N . . -0.36318 0.1336288 194 223 VAL N . . -0.451215 0.6615726 195 224 VAL N . . -0.13392 0.5601236 196 225 TRP N . . -0.10109 0.5580457 197 226 SER N . . -0.20571 0.3929582 198 228 THR N . . -0.37738 0.4337083 199 229 GLY N . . -0.30509 1.319348 200 230 VAL N . . -0.201775 0.3727517 201 232 TYR N . . -0.358035 0.4413366 202 234 VAL N . . -0.69432 0.3475582 203 235 ALA N . . -1.153335 0.1058483 204 236 VAL N . . -0.578575 0.5277547 205 237 MET N . . -0.260005 0.5814769 206 238 SER N . . -0.488755 0.1416877 207 239 ASP N . . -0.06322 0.1331671 208 240 ARG N . . -0.096045 0.333575 209 241 ALA N . . -0.337175 0.1572006 210 242 GLY N . . 1.22528 0.4343519 211 243 GLY N . . -0.44959 0.0472826 212 244 GLY N . . -1.01312 0.896147 213 245 TYR N . . 0.09237 0.6684421 214 246 ASP N . . 0.012515 0.2399646 215 247 ALA N . . -0.01252 0.4134109 216 248 GLU N . . -0.34681 0.2694782 217 250 ARG N . . -0.399845 0.472689 218 251 GLU N . . -0.19465 0.09653387 219 252 ALA N . . -0.45143 0.1511827 220 253 LEU N . . -0.24368 0.3351732 221 254 LEU N . . 0.08427 0.6471679 222 255 ALA N . . -0.620635 0.138354 223 256 GLU N . . -1.00809 0.2542945 224 257 ALA N . . -0.405025 0.4634188 225 258 ALA N . . -0.856545 0.2633736 226 259 THR N . . -0.784615 0.4323957 227 261 VAL N . . -0.733905 0.8563504 228 262 ALA N . . 0.210385 0.5940411 229 263 GLY N . . -1.64859 0.6318313 230 264 VAL N . . 0.051605 0.536725 231 265 LEU N . . 0.371495 0.4066541 232 266 ALA N . . 0.0061125 0.1625548 stop_ save_ save_NOE_Free_850 _Saveframe_category heteronuclear_NOE _Details . loop_ _Software_label $TOPSPIN $FuDa stop_ loop_ _Experiment_label 'Pseudo-3D NOE' stop_ loop_ _Sample_label . stop_ _Sample_conditions_label $sample_conditions_1 _Spectrometer_frequency_1H 850 _Mol_system_component_name BlaC _Atom_one_atom_name N _Atom_two_atom_name H _Heteronuclear_NOE_value_type 'relative intensities' _NOE_reference_value 1 _NOE_reference_description . _Text_data_format . _Text_data . loop_ _Residue_seq_code _Residue_label _Heteronuclear_NOE_value _Heteronuclear_NOE_value_error 3 LEU 0.823461718 0.005956156 5 ASP 0.819553064 0.005182992 6 ARG 0.87533257 0.006685229 7 PHE 0.826618118 0.006080108 8 ALA 0.893392696 0.005662119 9 GLU 0.880587857 0.005805878 10 LEU 0.836175304 0.007622191 11 GLU 0.93211069 0.003952693 12 ARG 0.936349155 0.007217447 13 ARG 0.9164642 0.006667752 14 TYR 0.856378965 0.006813237 15 ASP 0.896543688 0.007184333 17 ARG 0.846920034 0.007708908 18 LEU 0.894476254 0.013248241 19 GLY 0.911933671 0.008819696 20 VAL 0.910288007 0.008407094 21 TYR 0.888080184 0.006650701 22 VAL 0.899467091 0.009021228 24 ALA 0.839626656 0.010145227 26 GLY 0.76722547 0.010704656 27 THR 0.712692761 0.006058816 28 THR 0.754881805 0.00566652 29 ALA 0.778587363 0.005348209 30 ALA 0.832505884 0.005221138 32 GLU 0.859578765 0.006215037 33 TYR 0.934512088 0.008370102 34 ARG 0.873247409 0.007117363 35 ALA 0.900701143 0.005446583 36 ASP 0.854146765 0.006551081 37 GLU 0.890785805 0.005396728 38 ARG 0.867992444 0.007028919 39 PHE 0.896926765 0.008723165 40 ALA 0.900113381 0.008511455 41 PHE 0.869795151 0.012601973 42 CYS 0.936066535 0.018270294 44 THR 0.913449489 0.01044792 45 PHE 0.907732848 0.009590285 46 LYS 0.839072722 0.008944317 47 ALA 0.927936507 0.008565922 49 LEU 0.875587236 0.006014417 50 VAL 0.923461733 0.011583732 51 ALA 0.851883614 0.005196849 52 ALA 0.957978396 0.006339771 53 VAL 0.589177711 0.002908337 54 LEU 0.858342561 0.007372017 55 HIS 0.905491122 0.008878036 57 ASN 0.828073638 0.00499338 60 THR 0.827632886 0.006725173 61 HIS 0.940546319 0.009864466 63 ASP 0.885908416 0.00531705 64 LYS 0.895755678 0.006650175 65 LEU 0.907212002 0.007635144 66 ILE 0.845539233 0.009998042 67 THR 0.851551929 0.005615658 68 TYR 0.830214041 0.005898036 69 THR 0.922383843 0.010146587 70 SER 0.819756079 0.00631179 71 ASP 0.827196979 0.005267104 73 ILE 0.830816375 0.005071404 74 ARG 0.834150302 0.008365571 75 SER 0.815583871 0.005513266 76 ILE 0.821339254 0.012805652 77 SER 0.757498975 0.011699483 79 VAL 0.854462659 0.00903932 80 ALA 0.950548211 0.018851108 81 GLN 0.847343902 0.006687325 83 HIS 0.917014537 0.009155657 84 VAL 0.836061684 0.005084727 85 GLN 0.795768375 0.005584067 86 THR 0.775701908 0.007273774 87 GLY 0.847584918 0.005711974 88 MET 0.885858351 0.007214975 89 THR 0.882930644 0.008241604 90 ILE 0.853461468 0.008605172 91 GLY 0.882438049 0.009735866 92 GLN 0.888847962 0.003650725 93 LEU 0.881680678 0.009130053 94 CYS 0.894254825 0.008205651 95 ASP 0.91622352 0.008046916 96 ALA 0.907755317 0.006985417 97 ALA 0.883618741 0.00655253 99 ARG 0.86410952 0.012132845 102 ASP 0.865864797 0.012753616 103 GLY 0.876667096 0.011578467 105 ALA 0.892461551 0.008884072 106 ALA 0.88445904 0.007659144 107 ASN 0.940724867 0.006140625 108 LEU 0.916971321 0.009197514 111 ALA 0.896389783 0.00545717 112 ASP 0.867256235 0.007773536 114 GLY 0.848070102 0.007179622 115 GLY 0.787012231 0.00524901 117 GLY 0.782787152 0.007096858 118 GLY 0.827089403 0.005426133 119 GLY 0.787971513 0.01277589 121 ALA 0.933393852 0.00610016 122 ALA 0.891632113 0.006489471 123 PHE 0.882351526 0.006805854 124 THR 0.889396931 0.008083812 125 GLY 0.920826799 0.007604998 126 TYR 0.932713931 0.00633603 127 LEU 0.891213526 0.008981275 128 ARG 0.92835413 0.007355442 129 SER 0.868294437 0.006228996 130 LEU 0.877545947 0.006119582 131 GLY 0.875444396 0.007111495 132 ASP 0.833029379 0.004719718 133 THR 0.835104654 0.006886408 134 VAL 0.873502466 0.008005997 135 SER 0.882920385 0.008472175 136 ARG 0.926626048 0.009589429 137 LEU 0.901486046 0.008144529 138 ASP 0.937929901 0.018921759 139 ALA 0.900286158 0.009365281 141 GLU 0.897691249 0.010502321 143 GLU 0.869569923 0.006636705 144 LEU 0.900640506 0.0089368 145 ASN 0.877126688 0.008927144 147 ASP 0.89338431 0.010188238 150 GLY 0.813050908 0.009853544 151 ASP 0.832687839 0.005379042 152 GLU 0.857371504 0.006725836 153 ARG 0.855665796 0.005808324 154 ASP 0.885619776 0.013612896 155 THR 0.890578427 0.006477959 156 THR 0.869589973 0.00791058 157 THR 0.929830864 0.007557029 159 HIS 0.897877016 0.008031374 160 ALA 0.782312381 0.003279943 161 ILE 0.92767679 0.006872638 162 ALA 0.840203462 0.005404556 163 LEU 0.859752826 0.005724422 164 VAL 0.895139967 0.007071997 165 LEU 0.89887483 0.007845029 166 GLN 0.899746937 0.006682351 167 GLN 0.907796259 0.006578732 168 LEU 0.915104472 0.007904905 169 VAL 0.87459547 0.006610579 171 GLY 0.868853096 0.005960261 172 ASN 0.796946528 0.011605038 173 ALA 0.843949201 0.005269677 174 LEU 0.880902102 0.007635586 177 ASP 0.838787382 0.004648523 178 LYS 0.803871945 0.006132576 179 ARG 0.850843636 0.007748705 180 ALA 0.788358415 0.004519238 181 LEU 0.861624179 0.006025349 182 LEU 0.940425063 0.006472921 183 THR 0.91914699 0.006999835 184 ASP 0.906420288 0.006122528 185 TRP 0.855023495 0.004994405 186 MET 0.918966659 0.007283758 187 ALA 0.890230353 0.006490087 188 ARG 0.865561801 0.004983829 189 ASN 0.856201974 0.004573282 191 THR 0.843802316 0.008176178 192 GLY 0.9131323 0.008050426 194 LYS 0.886630325 0.00625406 195 ARG 0.838191031 0.006302561 197 ARG 0.860344781 0.012100124 198 ALA 0.883119228 0.005603388 199 GLY 0.837133371 0.00776068 200 PHE 0.88459947 0.005894784 203 ASP 0.833438082 0.00506507 204 TRP 0.913617421 0.008928088 205 LYS 0.860119469 0.007539242 207 ILE 0.951822675 0.009775998 208 ASP 0.916794947 0.005501803 211 GLY 0.86912408 0.014192363 213 GLY 0.877246132 0.008845244 214 ASP 0.847375742 0.007227846 215 TYR 0.872202987 0.01105012 216 GLY 0.902431588 0.007067717 217 ARG 0.927753835 0.006180437 218 ALA 0.916826481 0.009481496 220 ASP 0.914633896 0.008877271 221 ILE 0.874846723 0.008797042 222 ALA 0.928362853 0.008795466 223 VAL 0.838806852 0.007973663 224 VAL 0.928998003 0.008088351 225 TRP 0.898042732 0.009025473 226 SER 0.905702372 0.00836127 228 THR 0.741888601 0.006611351 229 GLY 0.870598307 0.004541081 230 VAL 0.833925374 0.006347218 232 TYR 0.878362127 0.008082593 233 VAL 0.949006332 0.005690524 234 VAL 0.825283681 0.007484589 235 ALA 0.91889902 0.008336129 236 VAL 0.924491519 0.007731534 237 MET 0.885384849 0.008672116 238 SER 0.937672466 0.007458325 240 ARG 0.883893097 0.009366989 241 ALA 0.789207653 0.004552458 242 GLY 0.823411478 0.005165534 243 GLY 0.817764644 0.004624088 244 GLY 0.851515358 0.004867963 245 TYR 0.898949638 0.006678264 247 ALA 0.868392047 0.004444852 248 GLU 0.874770185 0.006597973 250 ARG 0.801000582 0.008263686 251 GLU 0.820642402 0.00733541 252 ALA 0.870820842 0.005113415 253 LEU 0.917069156 0.007790891 254 LEU 0.883186964 0.008640527 255 ALA 0.930250052 0.006401245 256 GLU 0.889631243 0.00664122 257 ALA 0.906225117 0.00652702 258 ALA 0.900261983 0.005681424 259 THR 0.855377132 0.005402849 260 CYS 0.830360207 0.005477371 261 VAL 0.89318113 0.007663395 263 GLY 0.897152945 0.006494395 264 VAL 0.857983086 0.006913215 stop_ save_ save_NOE_Free_600 _Saveframe_category heteronuclear_NOE _Details . loop_ _Software_label $TOPSPIN $FuDa stop_ loop_ _Experiment_label 'Pseudo-3D NOE' stop_ loop_ _Sample_label . stop_ _Sample_conditions_label $sample_conditions_1 _Spectrometer_frequency_1H 600 _Mol_system_component_name BlaC _Atom_one_atom_name N _Atom_two_atom_name H _Heteronuclear_NOE_value_type 'relative intensities' _NOE_reference_value 1 _NOE_reference_description . _Text_data_format . _Text_data . loop_ _Residue_seq_code _Residue_label _Heteronuclear_NOE_value _Heteronuclear_NOE_value_error 3 LEU 0.820993299 0.010043624 5 ASP 0.737792123 0.010427535 6 ARG 0.770608449 0.013381459 7 PHE 0.809453186 0.015483374 8 ALA 0.848985747 0.01314176 9 GLU 0.751742005 0.012483076 10 LEU 0.858195531 0.015005359 11 GLU 0.846157979 0.010170174 12 ARG 0.777386641 0.013297135 13 ARG 0.854371272 0.013819768 14 TYR 0.888684546 0.017734246 15 ASP 0.853976467 0.01376273 17 ARG 0.875981562 0.015748648 18 LEU 0.851457781 0.026664084 19 GLY 0.858162826 0.019614218 20 VAL 0.837931148 0.01491814 21 TYR 0.888656628 0.015067743 22 VAL 0.865012848 0.01690964 24 ALA 0.828106279 0.016054943 26 GLY 0.686354853 0.028819698 27 THR 0.696960954 0.013486454 28 THR 0.657653573 0.010667753 29 ALA 0.716647864 0.010998428 30 ALA 0.786059237 0.008614874 32 GLU 0.836564909 0.012853068 33 TYR 0.816525227 0.017041579 34 ARG 0.880837847 0.01612211 35 ALA 0.828830733 0.010735697 36 ASP 0.925514283 0.012318614 37 GLU 0.889008541 0.011462831 38 ARG 0.885121703 0.014875918 39 PHE 0.872217812 0.017893419 40 ALA 0.874409478 0.019150358 41 PHE 0.753030193 0.022140212 42 CYS 0.874828348 0.03304122 44 THR 0.857624114 0.022219297 45 PHE 0.883433909 0.020363107 46 LYS 0.835715773 0.022876726 47 ALA 0.836521162 0.017192735 49 LEU 0.725173944 0.014974181 50 VAL 0.928934758 0.024149017 51 ALA 0.826563989 0.010898238 52 ALA 0.834208095 0.010230143 53 VAL 0.364503488 0.004747766 54 LEU 0.905083183 0.015899084 55 HIS 0.871764275 0.01561727 57 ASN 0.817129772 0.010921137 60 THR 0.783663489 0.014368187 61 HIS 0.806125743 0.018313627 63 ASP 0.848795617 0.010759466 64 LYS 0.900539197 0.012287644 65 LEU 0.837684303 0.013069294 66 ILE 0.863258664 0.022591632 67 THR 0.827149287 0.011661607 68 TYR 0.850607487 0.010301108 69 THR 0.856244565 0.017633519 70 SER 0.813418395 0.013674624 71 ASP 0.846161362 0.011128282 73 ILE 0.833997889 0.01023955 74 ARG 0.760190916 0.017203166 75 SER 0.752387816 0.010844798 76 ILE 0.692921854 0.024905496 77 SER 0.698115743 0.02567974 79 VAL 0.829587144 0.01707199 80 ALA 0.835595936 0.025692488 81 GLN 0.82497513 0.011050645 83 HIS 0.817897978 0.015268465 84 VAL 0.822271024 0.02224379 85 GLN 0.770285487 0.009836175 86 THR 0.764540338 0.013057001 87 GLY 0.786446993 0.010957665 88 MET 0.900486714 0.015334888 89 THR 0.844350458 0.017625703 90 ILE 0.818643904 0.016676576 91 GLY 0.893451418 0.021715692 92 GLN 0.860295173 0.00768743 93 LEU 0.824709564 0.020014112 94 CYS 0.900766848 0.017254433 95 ASP 0.900091086 0.017406977 96 ALA 0.961924096 0.016886904 97 ALA 0.862897481 0.012834712 99 ARG 0.838714256 0.024536903 102 ASP 0.918888022 0.029138807 103 GLY 0.834732886 0.022758801 105 ALA 0.92545588 0.016479366 106 ALA 0.848638569 0.014046769 107 ASN 0.920846784 0.012844244 108 LEU 0.865081868 0.018924183 111 ALA 0.783908792 0.009592571 112 ASP 0.87878326 0.017014715 114 GLY 0.801319263 0.014235868 115 GLY 0.786711665 0.010380194 117 GLY 0.837987197 0.025057068 118 GLY 0.732301561 0.010923784 119 GLY 0.81084873 0.015975645 121 ALA 0.844311276 0.009814189 122 ALA 0.880045689 0.011456369 123 PHE 0.835433276 0.014786488 124 THR 0.946869715 0.017799373 125 GLY 0.872398784 0.014237681 126 TYR 0.826674819 0.010654567 127 LEU 0.790182652 0.013731908 128 ARG 0.994439506 0.020521793 129 SER 0.827567027 0.012491421 130 LEU 0.835477517 0.013361656 131 GLY 0.858522815 0.014272622 132 ASP 0.816722097 0.010888306 133 THR 0.778098183 0.015888817 134 VAL 0.822734651 0.018537298 135 SER 0.9164101 0.016558552 136 ARG 0.919039599 0.021582505 137 LEU 0.775746283 0.015800043 138 ASP 0.88095543 0.032870259 139 ALA 0.808311292 0.014419652 141 GLU 0.869821908 0.024761365 143 GLU 0.875121533 0.012325821 144 LEU 0.871816727 0.017614947 145 ASN 0.785934136 0.019924014 147 ASP 0.828704664 0.01700526 150 GLY 0.790645263 0.015799365 151 ASP 0.82537217 0.010254919 152 GLU 0.825911347 0.01411113 153 ARG 0.795839024 0.011093258 154 ASP 0.836963529 0.024307685 155 THR 0.854838131 0.013899213 156 THR 0.874743829 0.017544475 157 THR 0.842842843 0.012976088 159 HIS 0.816876162 0.014278233 160 ALA 0.834949858 0.007674059 161 ILE 0.911574465 0.014195357 162 ALA 0.88944514 0.011446267 163 LEU 0.850682842 0.013006226 164 VAL 0.876752843 0.014407675 165 LEU 0.890450731 0.014195651 166 GLN 0.894234477 0.015083361 167 GLN 0.796518592 0.011328015 168 LEU 0.79886185 0.014178085 169 VAL 0.825653693 0.014510568 171 GLY 0.817128823 0.01166024 172 ASN 0.786497519 0.037017501 173 ALA 0.802331909 0.00895196 174 LEU 0.808986435 0.015476419 177 ASP 0.849645947 0.01047888 178 LYS 0.711915073 0.012981375 179 ARG 0.879956406 0.017864222 180 ALA 0.845305635 0.010046838 181 LEU 0.855929424 0.012728605 182 LEU 0.90537562 0.01285922 183 THR 0.849351193 0.016551741 184 ASP 0.88697627 0.012923096 185 TRP 0.792183565 0.008787269 186 MET 0.813763959 0.014656784 187 ALA 0.838616922 0.01284579 188 ARG 0.782159021 0.007823667 189 ASN 0.82065762 0.009483739 191 THR 0.802430399 0.016917811 192 GLY 0.853542755 0.014817932 194 LYS 0.834702561 0.014205799 195 ARG 0.845334437 0.012938343 197 ARG 0.850403727 0.024474551 198 ALA 0.844846627 0.01195075 199 GLY 0.832472913 0.016777997 200 PHE 0.834736897 0.013185673 203 ASP 0.806418175 0.01029803 204 TRP 0.836253142 0.015626158 205 LYS 0.89282561 0.016213734 207 ILE 0.72672675 0.021345036 208 ASP 0.854644334 0.00937217 211 GLY 0.769750638 0.028061328 213 GLY 0.893193339 0.020255487 214 ASP 0.805325527 0.012899401 215 TYR 0.878007846 0.020666156 216 GLY 0.882000161 0.015594259 217 ARG 0.865403827 0.010576065 218 ALA 0.87724569 0.020831502 220 ASP 0.886505527 0.014685608 221 ILE 0.786567902 0.020168996 222 ALA 0.848188421 0.016224871 223 VAL 0.883554709 0.017720902 224 VAL 0.82626644 0.018002378 225 TRP 0.865873969 0.016049006 226 SER 0.888571593 0.020228064 228 THR 0.724188534 0.015137566 229 GLY 0.817033854 0.009651016 230 VAL 0.80448893 0.012962381 232 TYR 0.850777028 0.018320535 233 VAL 0.832888774 0.01122377 234 VAL 0.879764036 0.018759065 235 ALA 0.865320506 0.016616816 236 VAL 0.844815412 0.014156344 237 MET 0.828290924 0.016276698 238 SER 0.903782028 0.014429817 240 ARG 0.810886509 0.019312266 241 ALA 0.791024179 0.00898733 242 GLY 0.82500581 0.009979682 243 GLY 0.74251872 0.00868401 244 GLY 0.80648837 0.008912232 245 TYR 0.837525951 0.010690665 247 ALA 0.842575676 0.007721941 248 GLU 0.791099675 0.01125365 250 ARG 0.81683182 0.019055084 251 GLU 0.800632548 0.014161927 252 ALA 0.825061403 0.01067403 253 LEU 0.906973541 0.017159341 254 LEU 0.866672443 0.01851728 255 ALA 0.80635819 0.013759014 256 GLU 0.849198984 0.012970586 257 ALA 0.857105215 0.01235462 258 ALA 0.822752335 0.01262227 259 THR 0.799810185 0.013300214 260 CYS 0.818428166 0.012477448 261 VAL 0.834435992 0.016161405 263 GLY 0.826453682 0.013313818 264 VAL 0.763373903 0.015017572 stop_ save_ save_order_parameter_list_Free _Saveframe_category S2_parameters _Details 'Obtained from Lipari-Szabo analysis of T1, T2 and NOE data on two magnetic fields.' loop_ _Software_label $FuDa stop_ loop_ _Sample_label $sample_1 $sample_1 $sample_1 stop_ _Sample_conditions_label $sample_conditions_1 _Mol_system_component_name BlaC _Tau_e_value_units s _Text_data_format . _Text_data . loop_ _Residue_seq_code _Residue_label _Atom_name _Model_fit _S2_value _S2_value_fit_error _Tau_e_value _Tau_e_value_fit_error _S2f_value _S2f_value_fit_error _S2s_value _S2s_value_fit_error _Tau_s_value _Tau_s_value_fit_error _S2H_value _S2H_value_fit_error _S2N_value _S2N_value_fit_error 3 LEU N TM2 0.898 0.0285 2.64E-11 1.20E-11 . . . . . . . . . . 5 ASP N TM2 0.925 0.0241 4.71E-10 1.96E-10 . . . . . . . . . . 6 ARG N TM2 0.857 0.0272 1.71E-11 6.82E-12 . . . . . . . . . . 7 PHE N TM2 0.912 0.0288 3.22E-11 1.60E-11 . . . . . . . . . . 8 ALA N TM2 0.921 0.0292 1.49E-11 1.29E-11 . . . . . . . . . . 9 GLU N TM2 0.914 0.0226 7.05E-10 1.95E-10 . . . . . . . . . . 10 LEU N TM2 0.908 0.0288 2.14E-11 1.16E-11 . . . . . . . . . . 11 GLU N TM2 0.877 0.0278 5.01E-12 6.66E-12 . . . . . . . . . . 12 ARG N TM2 0.968 0.0237 4.43E-10 4.72E-10 . . . . . . . . . . 13 ARG N TM2 0.857 0.0272 5.36E-12 5.58E-12 . . . . . . . . . . 14 TYR N TM2 0.874 0.0277 1.01E-11 6.79E-12 . . . . . . . . . . 15 ASP N TM2 0.937 0.0297 1.46E-11 1.59E-11 . . . . . . . . . . 17 ARG N TM2 0.886 0.0281 1.28E-11 7.91E-12 . . . . . . . . . . 18 LEU N TM3 0.854 0.0603 . . . . . . . . . . . . 19 GLY N TM2 0.869 0.0275 5.42E-12 6.28E-12 . . . . . . . . . . 20 VAL N TM2 0.898 0.0284 9.12E-12 8.99E-12 . . . . . . . . . . 21 TYR N TM2 0.904 0.0287 8.02E-12 8.90E-12 . . . . . . . . . . 22 VAL N TM2 0.911 0.0288 8.34E-12 9.54E-12 . . . . . . . . . . 24 ALA N TM2 0.862 0.0273 1.44E-11 6.39E-12 . . . . . . . . . . 26 GLY N TM2 0.834 0.0263 2.94E-11 7.30E-12 . . . . . . . . . . 27 THR N TM2 0.852 0.0268 3.97E-11 1.07E-11 . . . . . . . . . . 28 THR N TM2 0.919 0.0177 2.92E-10 1.40E-10 . . . . . . . . . . 29 ALA N TM2 0.833 0.0264 2.52E-11 6.51E-12 . . . . . . . . . . 30 ALA N TM2 0.78 0.0248 1.12E-11 3.48E-12 . . . . . . . . . . 32 GLU N TM2 0.848 0.0268 1.06E-11 5.42E-12 . . . . . . . . . . 33 TYR N TM2 0.868 0.0275 6.17E-12 6.07E-12 . . . . . . . . . . 34 ARG N TM2 0.933 0.0296 1.51E-11 1.43E-11 . . . . . . . . . . 35 ALA N TM2 0.958 0.0303 2.88E-11 3.11E-11 . . . . . . . . . . 36 ASP N TM2 0.893 0.0283 8.37E-12 7.79E-12 . . . . . . . . . . 37 GLU N TM2 0.876 0.0278 6.15E-12 6.50E-12 . . . . . . . . . . 38 ARG N TM2 0.871 0.0276 8.03E-12 6.62E-12 . . . . . . . . . . 39 PHE N TM2 0.877 0.0278 5.98E-12 7.05E-12 . . . . . . . . . . 40 ALA N TM2 0.916 0.029 7.80E-12 1.09E-11 . . . . . . . . . . 41 PHE N TM2 0.854 0.023 9.02E-10 1.50E-10 . . . . . . . . . . 42 CYS N TM2 0.985 0.0312 8.22E-12 6.57E-11 . . . . . . . . . . 44 THR N TM3 0.984 0.0681 . . . . . . . . . . . . 45 PHE N TM2 0.997 0.0196 2.77E-10 4.12E-09 . . . . . . . . . . 46 LYS N TM2 0.962 0.0293 6.89E-11 8.10E-11 . . . . . . . . . . 47 ALA N TM3 0.895 0.062 . . . . . . . . . . . . 49 LEU N TM2 0.924 0.0238 5.40E-10 2.01E-10 . . . . . . . . . . 50 VAL N TM3 0.938 0.0654 . . . . . . . . . . . . 51 ALA N TM2 0.972 0.0252 1.01E-10 1.81E-10 . . . . . . . . . . 52 ALA N TM2 0.919 0.0291 4.72E-12 1.11E-11 . . . . . . . . . . 53 VAL N TM5 0.565 0.0209 5.22E-10 4.64E-11 0.786 0.0282 . . . . . . . . 54 LEU N TM2 0.971 0.0307 3.73E-11 5.41E-11 . . . . . . . . . . 55 HIS N TM2 0.982 0.031 3.59E-11 8.48E-11 . . . . . . . . . . 57 ASN N TM2 0.932 0.0294 3.91E-11 2.41E-11 . . . . . . . . . . 60 THR N TM2 0.942 0.025 4.90E-10 2.69E-10 . . . . . . . . . . 61 HIS N TM2 0.901 0.0285 1.07E-11 9.17E-12 . . . . . . . . . . 63 ASP N TM2 0.896 0.0284 1.21E-11 8.90E-12 . . . . . . . . . . 64 LYS N TM3 0.895 0.0611 . . . . . . . . . . . . 65 LEU N TM2 0.95 0.0301 1.97E-11 2.18E-11 . . . . . . . . . . 66 ILE N TM2 0.889 0.0282 1.55E-11 8.52E-12 . . . . . . . . . . 67 THR N TM2 0.869 0.0275 1.53E-11 7.34E-12 . . . . . . . . . . 68 TYR N TM2 0.848 0.0268 1.37E-11 5.99E-12 . . . . . . . . . . 69 THR N TM2 0.903 0.0286 5.94E-12 9.04E-12 . . . . . . . . . . 70 SER N TM4 0.85 0.0589 1.72E-11 9.33E-12 . . . . . . . . . . 71 ASP N TM4 0.893 0.062 2.11E-11 1.56E-11 . . . . . . . . . . 73 ILE N TM2 0.901 0.0285 2.24E-11 1.10E-11 . . . . . . . . . . 74 ARG N TM2 0.862 0.0273 2.19E-11 7.57E-12 . . . . . . . . . . 75 SER N TM2 0.887 0.0236 7.31E-10 1.56E-10 . . . . . . . . . . 76 ILE N TM2 0.923 0.024 4.12E-10 1.85E-10 . . . . . . . . . . 77 SER N TM2 0.936 0.0109 2.20E-10 1.47E-10 . . . . . . . . . . 79 VAL N TM2 0.972 0.0212 3.10E-10 4.97E-10 . . . . . . . . . . 80 ALA N TM2 0.911 0.0289 4.35E-12 9.49E-12 . . . . . . . . . . 81 GLN N TM2 0.977 0.0112 1.58E-10 3.28E-10 . . . . . . . . . . 83 HIS N TM2 0.885 0.028 9.48E-12 7.49E-12 . . . . . . . . . . 84 VAL N TM2 0.869 0.0275 1.75E-11 7.32E-12 . . . . . . . . . . 85 GLN N TM4 0.956 0.00996 1.98E-10 2.10E-10 . . . . . . . . . . 86 THR N TM2 0.955 0.0106 1.58E-10 1.63E-10 . . . . . . . . . . 87 GLY N TM2 0.846 0.0268 1.59E-11 5.87E-12 . . . . . . . . . . 88 MET N TM2 0.945 0.0299 1.15E-11 1.78E-11 . . . . . . . . . . 89 THR N TM2 0.863 0.0274 9.86E-12 6.27E-12 . . . . . . . . . . 90 ILE N TM2 0.949 0.0298 4.44E-11 3.61E-11 . . . . . . . . . . 91 GLY N TM2 0.943 0.0299 1.36E-11 1.66E-11 . . . . . . . . . . 92 GLN N TM2 0.887 0.0281 9.30E-12 7.41E-12 . . . . . . . . . . 93 LEU N TM2 0.938 0.0297 2.61E-11 1.96E-11 . . . . . . . . . . 94 CYS N TM3 0.926 0.064 . . . . . . . . . . . . 95 ASP N TM3 0.866 0.0602 . . . . . . . . . . . . 96 ALA N TM3 0.895 0.0622 . . . . . . . . . . . . 97 ALA N TM2 0.961 0.0304 2.96E-11 3.37E-11 . . . . . . . . . . 99 ARG N TM4 0.848 0.0592 1.04E-11 6.86E-12 . . . . . . . . . . 102 ASP N TM4 0.969 0.0403 2.83E-09 8.14E-09 . . . . . . . . . . 103 GLY N TM2 0.984 0.0157 2.47E-10 7.62E-10 . . . . . . . . . . 105 ALA N TM2 0.902 0.0286 4.29E-12 8.55E-12 . . . . . . . . . . 106 ALA N TM2 0.951 0.0301 2.74E-11 2.60E-11 . . . . . . . . . . 107 ASN N TM1 0.846 0.0268 . . . . . . . . . . . . 108 LEU N TM2 0.975 0.0232 1.08E-09 1.16E-09 . . . . . . . . . . 111 ALA N TM2 0.928 0.0229 7.47E-10 2.53E-10 . . . . . . . . . . 112 ASP N TM2 0.938 0.0228 1.14E-09 4.91E-10 . . . . . . . . . . 114 GLY N TM2 0.801 0.0254 1.08E-11 3.92E-12 . . . . . . . . . . 115 GLY N TM2 0.85 0.0236 9.18E-10 1.49E-10 . . . . . . . . . . 117 GLY N TM2 0.706 0.0226 8.47E-12 2.28E-12 . . . . . . . . . . 118 GLY N TM2 0.841 0.0233 9.00E-10 1.33E-10 . . . . . . . . . . 119 GLY N TM2 0.963 0.0117 1.54E-10 2.08E-10 . . . . . . . . . . 121 ALA N TM3 0.912 0.0635 . . . . . . . . . . . . 122 ALA N TM2 0.96 0.0306 1.84E-11 2.79E-11 . . . . . . . . . . 123 PHE N TM2 0.937 0.0296 2.38E-11 1.91E-11 . . . . . . . . . . 124 THR N TM3 0.909 0.0629 . . . . . . . . . . . . 125 GLY N TM3 0.914 0.0626 . . . . . . . . . . . . 126 TYR N TM2 0.976 0.025 5.24E-10 7.14E-10 . . . . . . . . . . 127 LEU N TM2 0.973 0.0198 2.92E-10 5.09E-10 . . . . . . . . . . 128 ARG N TM3 0.902 0.0629 . . . . . . . . . . . . 129 SER N TM2 0.978 0.0107 2.08E-10 4.63E-10 . . . . . . . . . . 130 LEU N TM2 0.892 0.0283 1.45E-11 9.04E-12 . . . . . . . . . . 131 GLY N TM3 0.876 0.0603 . . . . . . . . . . . . 132 ASP N TM2 0.958 0.0293 6.79E-11 7.10E-11 . . . . . . . . . . 133 THR N TM2 0.898 0.0284 2.80E-11 1.23E-11 . . . . . . . . . . 134 VAL N TM2 0.935 0.0296 2.94E-11 2.09E-11 . . . . . . . . . . 135 SER N TM2 0.902 0.0286 5.79E-12 9.18E-12 . . . . . . . . . . 137 LEU N TM2 0.893 0.0283 1.84E-11 9.44E-12 . . . . . . . . . . 138 ASP N TM2 0.91 0.0288 3.12E-13 9.69E-12 . . . . . . . . . . 139 ALA N TM4 0.747 0.0526 4.97E-12 3.03E-12 . . . . . . . . . . 141 GLU N TM2 0.977 0.0309 3.41E-11 6.49E-11 . . . . . . . . . . 143 GLU N TM3 0.943 0.0653 . . . . . . . . . . . . 144 LEU N TM3 0.978 0.0679 . . . . . . . . . . . . 145 ASN N TM4 0.968 0.0236 3.02E-10 4.75E-10 . . . . . . . . . . 147 ASP N TM2 0.892 0.0283 1.32E-11 8.68E-12 . . . . . . . . . . 150 GLY N TM2 0.837 0.0265 1.77E-11 5.73E-12 . . . . . . . . . . 151 ASP N TM2 0.895 0.0283 2.30E-11 1.07E-11 . . . . . . . . . . 152 GLU N TM2 0.861 0.0273 1.41E-11 6.66E-12 . . . . . . . . . . 153 ARG N TM2 0.852 0.0271 1.51E-11 5.97E-12 . . . . . . . . . . 154 ASP N TM3 0.944 0.0648 . . . . . . . . . . . . 155 THR N TM2 0.959 0.0303 2.86E-11 3.25E-11 . . . . . . . . . . 156 THR N TM2 0.936 0.0297 1.87E-11 1.71E-11 . . . . . . . . . . 157 THR N TM2 0.86 0.0272 4.61E-12 5.76E-12 . . . . . . . . . . 159 HIS N TM2 0.878 0.0278 1.18E-11 7.17E-12 . . . . . . . . . . 160 ALA N TM2 0.822 0.0261 1.60E-11 4.90E-12 . . . . . . . . . . 161 ILE N TM3 0.935 0.0647 . . . . . . . . . . . . 162 ALA N TM2 0.977 0.0285 8.69E-11 1.91E-10 . . . . . . . . . . 163 LEU N TM2 0.952 0.03 3.70E-11 3.28E-11 . . . . . . . . . . 164 VAL N TM2 0.9 0.0285 7.54E-12 8.86E-12 . . . . . . . . . . 165 LEU N TM2 0.925 0.0293 7.50E-12 1.22E-11 . . . . . . . . . . 166 GLN N TM2 0.93 0.0295 7.59E-12 1.28E-11 . . . . . . . . . . 167 GLN N TM2 0.937 0.0296 2.67E-11 2.00E-11 . . . . . . . . . . 168 LEU N TM2 0.88 0.0279 1.21E-11 7.59E-12 . . . . . . . . . . 169 VAL N TM2 0.923 0.0292 2.20E-11 1.45E-11 . . . . . . . . . . 171 GLY N TM2 0.727 0.0231 5.60E-12 2.42E-12 . . . . . . . . . . 172 ASN N TM2 0.873 0.0276 2.53E-11 8.93E-12 . . . . . . . . . . 173 ALA N TM2 0.887 0.0281 2.10E-11 9.24E-12 . . . . . . . . . . 174 LEU N TM2 0.937 0.0297 2.80E-11 2.04E-11 . . . . . . . . . . 177 ASP N TM2 0.926 0.0293 2.95E-11 1.82E-11 . . . . . . . . . . 178 LYS N TM2 0.755 0.0239 1.57E-11 3.48E-12 . . . . . . . . . . 179 ARG N TM2 0.939 0.0297 2.56E-11 2.03E-11 . . . . . . . . . . 180 ALA N TM2 0.922 0.0291 4.08E-11 2.18E-11 . . . . . . . . . . 181 LEU N TM2 0.908 0.0287 1.70E-11 1.12E-11 . . . . . . . . . . 182 LEU N TM3 0.915 0.0637 . . . . . . . . . . . . 183 THR N TM2 0.916 0.029 8.37E-12 1.12E-11 . . . . . . . . . . 184 ASP N TM2 0.912 0.0289 5.79E-12 1.01E-11 . . . . . . . . . . 185 TRP N TM2 0.917 0.029 3.10E-11 1.65E-11 . . . . . . . . . . 186 MET N TM2 0.929 0.0294 1.77E-11 1.52E-11 . . . . . . . . . . 187 ALA N TM2 0.983 0.0166 2.58E-10 7.48E-10 . . . . . . . . . . 188 ARG N TM2 0.902 0.0285 2.45E-11 1.17E-11 . . . . . . . . . . 189 ASN N TM2 0.914 0.0289 2.49E-11 1.38E-11 . . . . . . . . . . 191 THR N TM2 0.936 0.0254 6.62E-10 2.88E-10 . . . . . . . . . . 192 GLY N TM2 0.954 0.0302 1.79E-11 2.34E-11 . . . . . . . . . . 194 LYS N TM2 0.87 0.0276 9.78E-12 6.61E-12 . . . . . . . . . . 195 ARG N TM4 0.792 0.0557 8.69E-12 4.45E-12 . . . . . . . . . . 197 ARG N TM2 0.978 0.0273 9.26E-11 2.11E-10 . . . . . . . . . . 198 ALA N TM2 0.915 0.029 1.59E-11 1.17E-11 . . . . . . . . . . 199 GLY N TM2 0.937 0.0297 3.53E-11 2.41E-11 . . . . . . . . . . 200 PHE N TM3 0.812 0.0564 . . . . . . . . . . . . 203 ASP N TM2 0.904 0.0286 2.66E-11 1.27E-11 . . . . . . . . . . 204 TRP N TM2 0.846 0.0268 5.55E-12 5.18E-12 . . . . . . . . . . 205 LYS N TM2 0.88 0.0279 9.08E-12 7.36E-12 . . . . . . . . . . 207 ILE N TM2 0.955 0.0239 3.98E-10 3.31E-10 . . . . . . . . . . 208 ASP N TM2 0.874 0.0277 5.47E-12 6.75E-12 . . . . . . . . . . 211 GLY N TM4 0.854 0.0594 1.60E-11 9.04E-12 . . . . . . . . . . 213 GLY N TM3 0.887 0.0618 . . . . . . . . . . . . 214 ASP N TM2 0.898 0.0284 2.32E-11 1.11E-11 . . . . . . . . . . 215 TYR N TM2 0.92 0.0292 1.41E-11 1.22E-11 . . . . . . . . . . 216 GLY N TM3 0.94 0.0639 . . . . . . . . . . . . 217 ARG N TM3 0.9 0.0623 . . . . . . . . . . . . 218 ALA N TM3 0.841 0.0592 . . . . . . . . . . . . 220 ASP N TM2 0.902 0.0286 3.22E-12 8.93E-12 . . . . . . . . . . 221 ILE N TM4 0.864 0.0609 1.57E-11 9.81E-12 . . . . . . . . . . 222 ALA N TM3 0.876 0.0611 . . . . . . . . . . . . 223 VAL N TM2 0.884 0.028 1.38E-11 8.09E-12 . . . . . . . . . . 224 VAL N TM2 0.905 0.0287 1.02E-11 9.71E-12 . . . . . . . . . . 225 TRP N TM2 0.836 0.0265 5.24E-12 5.05E-12 . . . . . . . . . . 226 SER N TM2 0.884 0.028 3.83E-12 7.52E-12 . . . . . . . . . . 228 THR N TM2 0.873 0.0274 4.05E-11 1.28E-11 . . . . . . . . . . 229 GLY N TM2 0.881 0.0279 1.57E-11 8.13E-12 . . . . . . . . . . 230 VAL N TM2 0.901 0.0285 2.64E-11 1.22E-11 . . . . . . . . . . 232 TYR N TM2 0.855 0.0271 8.69E-12 5.75E-12 . . . . . . . . . . 233 VAL N TM2 0.809 0.0257 3.07E-12 3.92E-12 . . . . . . . . . . 234 VAL N TM2 0.885 0.0281 1.58E-11 8.43E-12 . . . . . . . . . . 235 ALA N TM3 0.897 0.061 . . . . . . . . . . . . 236 VAL N TM3 0.853 0.0595 . . . . . . . . . . . . 237 MET N TM2 0.901 0.0285 1.37E-11 9.32E-12 . . . . . . . . . . 238 SER N TM3 0.854 0.0595 . . . . . . . . . . . . 240 ARG N TM2 0.923 0.0293 2.01E-11 1.37E-11 . . . . . . . . . . 241 ALA N TM2 0.774 0.0246 1.34E-11 3.51E-12 . . . . . . . . . . 242 GLY N TM2 0.85 0.0269 1.67E-11 6.33E-12 . . . . . . . . . . 243 GLY N TM2 0.813 0.0258 1.82E-11 4.97E-12 . . . . . . . . . . 244 GLY N TM2 0.803 0.0232 1.23E-09 1.86E-10 . . . . . . . . . . 245 TYR N TM2 0.897 0.0284 1.20E-11 8.97E-12 . . . . . . . . . . 247 ALA N TM2 0.905 0.0287 1.75E-11 1.07E-11 . . . . . . . . . . 248 GLU N TM2 0.847 0.0268 1.29E-11 5.54E-12 . . . . . . . . . . 250 ARG N TM2 0.798 0.0253 1.36E-11 4.20E-12 . . . . . . . . . . 251 GLU N TM2 0.881 0.0279 2.46E-11 9.72E-12 . . . . . . . . . . 252 ALA N TM2 0.961 0.0254 5.58E-10 4.34E-10 . . . . . . . . . . 253 LEU N TM3 0.944 0.0653 . . . . . . . . . . . . 254 LEU N TM2 0.977 0.0305 5.39E-11 1.01E-10 . . . . . . . . . . 255 ALA N TM2 0.874 0.0277 9.38E-12 6.79E-12 . . . . . . . . . . 256 GLU N TM2 0.933 0.0295 1.74E-11 1.54E-11 . . . . . . . . . . 257 ALA N TM2 0.93 0.0295 1.19E-11 1.30E-11 . . . . . . . . . . 258 ALA N TM2 0.878 0.0278 1.08E-11 6.99E-12 . . . . . . . . . . 259 THR N TM2 0.892 0.0282 2.08E-11 9.57E-12 . . . . . . . . . . 260 CYS N TM2 0.937 0.0295 4.23E-11 2.78E-11 . . . . . . . . . . 261 VAL N TM2 0.935 0.0296 1.93E-11 1.68E-11 . . . . . . . . . . 263 GLY N TM2 0.845 0.0268 8.26E-12 5.27E-12 . . . . . . . . . . 264 VAL N TM2 0.824 0.0227 1.02E-09 1.45E-10 . . . . . . . . . . stop_ _Tau_s_value_units s save_