data_15064 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; apo-WT chicken Triosephosphate Isomerase (TIM) ; _BMRB_accession_number 15064 _BMRB_flat_file_name bmr15064.str _Entry_type original _Submission_date 2006-12-05 _Accession_date 2006-12-05 _Entry_origination author _NMR_STAR_version 2.1.1 _Experimental_method NMR _Details 'apo-WT chicken Triosephosphate Isomerase (TIM)' loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Kempf James G. . 2 Jung Ju-yeon . . 3 Ragain Christina . . 4 Sampson Nicole S. . 5 Loria Pat . . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 heteronucl_NOE 2 T1_relaxation 2 T2_relaxation 2 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 226 "13C chemical shifts" 688 "15N chemical shifts" 226 "T1 relaxation values" 362 "T2 relaxation values" 362 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2007-05-18 update author 'complete entry citation' 2007-02-22 original author 'original release' stop_ loop_ _Related_BMRB_accession_number _Relationship 15065 '2-PGA-bound WT cTIM' 15066 'apo PGG/GGG cTIM' 15067 '2-PGA-bound PGG/GGG cTIM' stop_ save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full . _Citation_title 'Dynamic Requirements for a Functional Protein Hinge' _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 17336327 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Kempf James G. . 2 Jung Ju-yeon . . 3 Ragain Christina . . 4 Sampson Nicole S. . 5 Loria J. Patrick . stop_ _Journal_abbreviation 'J. Mol. Biol.' _Journal_volume 368 _Journal_issue 1 _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 131 _Page_last 149 _Year 2007 _Details . loop_ _Keyword 'Enzyme catalysis' 'Loop motion' 'NMR spectroscopy' 'Protein dynamics' 'Protein hinge' 'Triosephosphate isomerase' stop_ save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name 'WT cTIM homodimer' _Enzyme_commission_number 5.3.1.1 loop_ _Mol_system_component_name _Mol_label 'WT TIM chain 1' $triosephosphate_isomerase 'WT TIM chain 2' $triosephosphate_isomerase stop_ _System_molecular_weight 53200 _System_physical_state native _System_oligomer_state ? _System_paramagnetic ? _System_thiol_state . _Database_query_date . _Details . save_ ######################## # Monomeric polymers # ######################## save_triosephosphate_isomerase _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common triosephosphate_isomerase _Molecular_mass 26620 _Mol_thiol_state 'all free' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 248 _Mol_residue_sequence ; MAPRKFFVGGNWKMNGDKKS LGELIHTLNGAKLSADTEVV CGAPSIYLDFARQKLDAKIG VAAQNCYKVPKGAFTGEISP AMIKDIGAAWVILGHSERRH VFGESDELIGQKVAHALAEG LGVIACIGEKLDEREAGITE KVVFEQTKAIADNVKDWSKV VLAYEPVWAIGTGKTATPQQ AQEVHEKLRGWLKSHVSDAV AQSTRIIYGGSVTGGNCKEL ASQHDVDGFLVGGASLKPEF VDIINAKH ; loop_ _Residue_seq_code _Residue_label 1 MET 2 ALA 3 PRO 4 ARG 5 LYS 6 PHE 7 PHE 8 VAL 9 GLY 10 GLY 11 ASN 12 TRP 13 LYS 14 MET 15 ASN 16 GLY 17 ASP 18 LYS 19 LYS 20 SER 21 LEU 22 GLY 23 GLU 24 LEU 25 ILE 26 HIS 27 THR 28 LEU 29 ASN 30 GLY 31 ALA 32 LYS 33 LEU 34 SER 35 ALA 36 ASP 37 THR 38 GLU 39 VAL 40 VAL 41 CYS 42 GLY 43 ALA 44 PRO 45 SER 46 ILE 47 TYR 48 LEU 49 ASP 50 PHE 51 ALA 52 ARG 53 GLN 54 LYS 55 LEU 56 ASP 57 ALA 58 LYS 59 ILE 60 GLY 61 VAL 62 ALA 63 ALA 64 GLN 65 ASN 66 CYS 67 TYR 68 LYS 69 VAL 70 PRO 71 LYS 72 GLY 73 ALA 74 PHE 75 THR 76 GLY 77 GLU 78 ILE 79 SER 80 PRO 81 ALA 82 MET 83 ILE 84 LYS 85 ASP 86 ILE 87 GLY 88 ALA 89 ALA 90 TRP 91 VAL 92 ILE 93 LEU 94 GLY 95 HIS 96 SER 97 GLU 98 ARG 99 ARG 100 HIS 101 VAL 102 PHE 103 GLY 104 GLU 105 SER 106 ASP 107 GLU 108 LEU 109 ILE 110 GLY 111 GLN 112 LYS 113 VAL 114 ALA 115 HIS 116 ALA 117 LEU 118 ALA 119 GLU 120 GLY 121 LEU 122 GLY 123 VAL 124 ILE 125 ALA 126 CYS 127 ILE 128 GLY 129 GLU 130 LYS 131 LEU 132 ASP 133 GLU 134 ARG 135 GLU 136 ALA 137 GLY 138 ILE 139 THR 140 GLU 141 LYS 142 VAL 143 VAL 144 PHE 145 GLU 146 GLN 147 THR 148 LYS 149 ALA 150 ILE 151 ALA 152 ASP 153 ASN 154 VAL 155 LYS 156 ASP 157 TRP 158 SER 159 LYS 160 VAL 161 VAL 162 LEU 163 ALA 164 TYR 165 GLU 166 PRO 167 VAL 168 TRP 169 ALA 170 ILE 171 GLY 172 THR 173 GLY 174 LYS 175 THR 176 ALA 177 THR 178 PRO 179 GLN 180 GLN 181 ALA 182 GLN 183 GLU 184 VAL 185 HIS 186 GLU 187 LYS 188 LEU 189 ARG 190 GLY 191 TRP 192 LEU 193 LYS 194 SER 195 HIS 196 VAL 197 SER 198 ASP 199 ALA 200 VAL 201 ALA 202 GLN 203 SER 204 THR 205 ARG 206 ILE 207 ILE 208 TYR 209 GLY 210 GLY 211 SER 212 VAL 213 THR 214 GLY 215 GLY 216 ASN 217 CYS 218 LYS 219 GLU 220 LEU 221 ALA 222 SER 223 GLN 224 HIS 225 ASP 226 VAL 227 ASP 228 GLY 229 PHE 230 LEU 231 VAL 232 GLY 233 GLY 234 ALA 235 SER 236 LEU 237 LYS 238 PRO 239 GLU 240 PHE 241 VAL 242 ASP 243 ILE 244 ILE 245 ASN 246 ALA 247 LYS 248 HIS stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date 2015-10-07 loop_ _Database_name _Database_accession_code _Database_entry_mol_name _Sequence_query_to_submitted_percentage _Sequence_subject_length _Sequence_identity _Sequence_positive _Sequence_homology_expectation_value BMRB 15065 triosephosphate_isomerase 100.00 248 100.00 100.00 1.89e-179 BMRB 15066 PGG/GGG_mono 100.00 248 97.98 97.98 6.77e-174 BMRB 15067 PGG/GGG 100.00 248 97.98 97.98 6.77e-174 PDB 1SPQ "Understanding Protein Lids: Structural Analysis Of Active Hinge Mutants In Triosephosphate Isomerase" 99.60 247 99.60 99.60 8.85e-178 PDB 1SQ7 "Understanding Protein Lids: Structural Analysis Of Active Hinge Mutants In Triosephosphate Isomerase" 99.60 247 99.19 99.19 8.49e-176 PDB 1SSD "Understanding Protein Lids: Structural Analysis Of Active Hinge Mutants In Triosephosphate Isomerase" 99.60 247 98.79 99.19 3.86e-176 PDB 1SSG "Understanding Protein Lids: Structural Analysis Of Active Hinge Mutants In Triosephosphate Isomerase" 99.60 247 98.79 99.19 3.86e-176 PDB 1SU5 "Understanding Protein Lids: Structural Analysis Of Active Hinge Mutants In Triosephosphate Isomerase" 99.60 247 98.79 98.79 8.39e-176 PDB 1SW0 "Triosephosphate Isomerase From Gallus Gallus, Loop 6 Hinge Mutant K174l, T175w" 100.00 248 99.19 99.19 6.37e-177 PDB 1SW3 "Triosephosphate Isomerase From Gallus Gallus, Loop 6 Mutant T175v" 100.00 248 99.60 99.60 1.16e-178 PDB 1SW7 "Triosephosphate Isomerase From Gallus Gallus, Loop 6 Mutant K174n, T175s, A176s" 100.00 248 98.79 99.60 5.49e-178 PDB 1TPB "Offset Of A Catalytic Lesion By A Bound Water Soluble" 99.60 247 99.19 100.00 1.90e-177 PDB 1TPC "Offset Of A Catalytic Lesion By A Bound Water Soluble" 99.60 247 98.79 99.60 1.26e-176 PDB 1TPH "1.8 Angstroms Crystal Structure Of Wild Type Chicken Triosephosphate Isomerase-Phosphoglycolohydroxamate Complex" 99.60 247 99.60 100.00 5.07e-178 PDB 1TPU "S96p Change Is A Second-Site Suppressor For H95n Sluggish Mutant Triosephosphate Isomerase" 99.60 247 99.19 100.00 3.96e-177 PDB 1TPV "S96p Change Is A Second-Site Suppressor For H95n Sluggish Mutant Triosephosphate Isomerase" 99.60 247 98.79 99.60 2.78e-176 PDB 1TPW "Triosephosphate Isomerase Drinks Water To Keep Healthy" 99.60 247 99.19 99.60 3.59e-177 PDB 4P61 "Chicken Triosephosphate Isomerase With Loop6 Mutations, V167p And W168e" 100.00 248 99.19 99.19 6.51e-177 PDB 8TIM "Triose Phosphate Isomerase" 99.60 247 99.60 100.00 5.07e-178 EMBL CAE45562 "triosephosphate isomerase, partial [Anser anser]" 85.08 211 99.53 99.53 3.04e-148 EMBL CAE45563 "triosephosphate isomerase, partial [Meleagris gallopavo]" 85.08 211 99.53 99.53 6.61e-148 EMBL CAE45564 "triosephosphate isomerase, partial [Phasianus colchicus]" 85.08 211 99.53 99.53 2.56e-148 GB AAA49094 "TIM [Gallus gallus]" 100.00 248 100.00 100.00 1.89e-179 GB AAA49095 "triosephosphate isomerase (EC 5.3.1.1) [Gallus gallus]" 100.00 248 100.00 100.00 1.89e-179 GB ACH45461 "putative triosephosphate isomerase [Taeniopygia guttata]" 100.00 248 98.79 99.19 1.54e-177 GB ACH45462 "putative triosephosphate isomerase [Taeniopygia guttata]" 100.00 248 98.79 99.19 1.54e-177 GB ACH45463 "putative triosephosphate isomerase [Taeniopygia guttata]" 100.00 248 98.39 98.79 5.34e-177 REF NP_001232159 "putative triosephosphate isomerase [Taeniopygia guttata]" 87.10 216 98.15 99.07 4.70e-152 REF NP_990782 "triosephosphate isomerase [Gallus gallus]" 100.00 248 100.00 100.00 1.89e-179 REF XP_005016819 "PREDICTED: triosephosphate isomerase [Anas platyrhynchos]" 67.34 167 99.40 99.40 1.28e-113 REF XP_005235418 "PREDICTED: triosephosphate isomerase [Falco peregrinus]" 67.34 167 99.40 99.40 1.28e-113 REF XP_005434378 "PREDICTED: triosephosphate isomerase [Falco cherrug]" 67.34 167 99.40 99.40 1.28e-113 SP P00940 "RecName: Full=Triosephosphate isomerase; Short=TIM; AltName: Full=Triose-phosphate isomerase" 100.00 248 100.00 100.00 1.89e-179 stop_ save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species $triosephosphate_isomerase chicken 9031 Eukaryota Metazoa Gallus gallus 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 $triosephosphate_isomerase 'recombinant technology' . Escherichia coli . pET15b/cTIM stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_2H_15N_sample _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $triosephosphate_isomerase 0.9 mM '[U-99% 15N; U-99%2H]' D2O 7.5 % 'natural abundance' 'sodium azide' 0.02 % 'natural abundance' 'sodium chloride' 10 mM 'natural abundance' MES 10 mM [U-2H] stop_ save_ save_2H_13C_15N_sample _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $triosephosphate_isomerase 0.9 mM '[U-99% 13C; U-99% 15N; 70% 2H]' D2O 7.5 % 'natural abundance' 'sodium azide' 0.02 % 'natural abundance' 'sodium chloride' 10 mM 'natural abundance' MES 10 mM [U-2H] stop_ save_ ############################ # Computer software used # ############################ save_NMRPipe _Saveframe_category software _Name NMRPipe _Version . loop_ _Vendor _Address _Electronic_address 'Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax' . . stop_ loop_ _Task processing stop_ _Details . save_ save_PISTACHIO _Saveframe_category software _Name PISTACHIO _Version . loop_ _Vendor _Address _Electronic_address Eghbalnia . . stop_ loop_ _Task 'chemical shift assignment' stop_ _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Varian _Model INOVA _Field_strength 600 _Details . save_ save_spectrometer_2 _Saveframe_category NMR_spectrometer _Manufacturer Varian _Model INOVA _Field_strength 800 _Details . save_ save_spectrometer_3 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model Avance _Field_strength 800 _Details . save_ ############################# # NMR applied experiments # ############################# save_3D_HNCA_1 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCA' _Sample_label $2H_13C_15N_sample save_ save_3D_HN(CO)CA_2 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HN(CO)CA' _Sample_label $2H_13C_15N_sample save_ save_3D_HNCACB_3 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCACB' _Sample_label $2H_13C_15N_sample save_ save_3D_HN(CO)CACB_4 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HN(CO)CACB' _Sample_label $2H_13C_15N_sample save_ save_3D_HN(CA)CO_5 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HN(CA)CO' _Sample_label $2H_13C_15N_sample save_ save_3D_HNCO_6 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCO' _Sample_label $2H_13C_15N_sample save_ save_1H-15N_ssNOE_7 _Saveframe_category NMR_applied_experiment _Experiment_name '1H-15N ssNOE' _Sample_label $2H_15N_sample save_ save_1H-15N_T1_8 _Saveframe_category NMR_applied_experiment _Experiment_name '1H-15N T1' _Sample_label $2H_15N_sample save_ save_1H-15N_T2_9 _Saveframe_category NMR_applied_experiment _Experiment_name '1H-15N T2' _Sample_label $2H_15N_sample save_ ####################### # Sample conditions # ####################### save_standard_conditions _Saveframe_category sample_conditions _Details . loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units pH 6.5 . pH pressure 1 . atm temperature 293 . K stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference_1 _Saveframe_category chemical_shift_reference _Details . loop_ _Mol_common_name _Atom_type _Atom_isotope_number _Atom_group _Chem_shift_units _Chem_shift_value _Reference_method _Reference_type _External_reference_sample_geometry _External_reference_location _External_reference_axis _Indirect_shift_ratio _Indirect_shift_ratio_citation_label _Correction_value_citation_label water C 13 protons ppm 4.821 internal indirect . . . 0.25144952 $entry_citation $entry_citation water H 1 protons ppm 4.821 internal direct . . . 1.0 $entry_citation $entry_citation water N 15 protons ppm 4.821 internal indirect . . . 0.10132905 $entry_citation $entry_citation stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_assigned_chem_shift_list_1 _Saveframe_category assigned_chemical_shifts _Details . loop_ _Experiment_label '3D HNCA' '3D HN(CO)CA' '3D HNCACB' '3D HN(CO)CACB' '3D HN(CA)CO' '3D HNCO' stop_ loop_ _Sample_label $2H_13C_15N_sample stop_ _Sample_conditions_label $standard_conditions _Chem_shift_reference_set_label $chemical_shift_reference_1 _Mol_system_component_name 'WT TIM chain 1' _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 3 3 PRO C C 176.60 0.10 1 2 3 3 PRO CA C 62.70 0.10 1 3 3 3 PRO CB C 31.11 0.10 1 4 4 4 ARG H H 8.436 0.010 1 5 4 4 ARG C C 175.96 0.10 1 6 4 4 ARG CA C 55.70 0.10 1 7 4 4 ARG CB C 31.43 0.10 1 8 4 4 ARG N N 122.24 0.10 1 9 5 5 LYS H H 8.988 0.010 1 10 5 5 LYS C C 175.39 0.10 1 11 5 5 LYS CA C 56.89 0.10 1 12 5 5 LYS CB C 32.21 0.10 1 13 5 5 LYS N N 128.68 0.10 1 14 6 6 PHE H H 8.484 0.010 1 15 6 6 PHE C C 173.78 0.10 1 16 6 6 PHE CA C 58.67 0.10 1 17 6 6 PHE CB C 39.74 0.10 1 18 6 6 PHE N N 131.92 0.10 1 19 7 7 PHE H H 8.342 0.010 1 20 7 7 PHE C C 173.85 0.10 1 21 7 7 PHE CA C 55.96 0.10 1 22 7 7 PHE CB C 40.93 0.10 1 23 7 7 PHE N N 129.94 0.10 1 24 8 8 VAL H H 8.679 0.010 1 25 8 8 VAL C C 172.99 0.10 1 26 8 8 VAL CA C 60.80 0.10 1 27 8 8 VAL CB C 33.82 0.10 1 28 8 8 VAL N N 127.35 0.10 1 29 9 9 GLY H H 9.164 0.010 1 30 9 9 GLY C C 173.22 0.10 1 31 9 9 GLY CA C 42.38 0.10 1 32 9 9 GLY N N 112.63 0.10 1 33 10 10 GLY H H 9.343 0.010 1 34 10 10 GLY C C 170.95 0.10 1 35 10 10 GLY CA C 45.55 0.10 1 36 10 10 GLY N N 113.00 0.10 1 37 11 11 ASN H H 9.214 0.010 1 38 11 11 ASN C C 173.27 0.10 1 39 11 11 ASN CA C 50.45 0.10 1 40 11 11 ASN CB C 36.99 0.10 1 41 11 11 ASN N N 124.46 0.10 1 42 12 12 TRP H H 7.763 0.010 1 43 12 12 TRP C C 174.77 0.10 1 44 12 12 TRP CA C 56.04 0.10 1 45 12 12 TRP CB C 28.33 0.10 1 46 12 12 TRP N N 125.44 0.10 1 47 13 13 LYS H H 7.981 0.010 1 48 13 13 LYS C C 174.25 0.10 1 49 13 13 LYS CA C 56.93 0.10 1 50 13 13 LYS CB C 30.61 0.10 1 51 13 13 LYS N N 115.36 0.10 1 52 14 14 MET H H 7.422 0.010 1 53 14 14 MET C C 173.19 0.10 1 54 14 14 MET CA C 53.29 0.10 1 55 14 14 MET CB C 31.64 0.10 1 56 14 14 MET N N 125.00 0.10 1 57 15 15 ASN H H 7.181 0.010 1 58 15 15 ASN C C 172.11 0.10 1 59 15 15 ASN CA C 52.45 0.10 1 60 15 15 ASN CB C 43.68 0.10 1 61 15 15 ASN N N 118.98 0.10 1 62 16 16 GLY H H 8.200 0.010 1 63 16 16 GLY C C 171.36 0.10 1 64 16 16 GLY CA C 43.00 0.10 1 65 16 16 GLY N N 104.78 0.10 1 66 17 17 ASP H H 6.971 0.010 1 67 17 17 ASP C C 175.39 0.10 1 68 17 17 ASP CA C 50.91 0.10 1 69 17 17 ASP CB C 42.31 0.10 1 70 17 17 ASP N N 114.53 0.10 1 71 18 18 LYS H H 9.623 0.010 1 72 18 18 LYS C C 180.12 0.10 1 73 18 18 LYS CA C 61.43 0.10 1 74 18 18 LYS CB C 31.22 0.10 1 75 18 18 LYS N N 121.20 0.10 1 76 19 19 LYS H H 8.417 0.010 1 77 19 19 LYS C C 179.42 0.10 1 78 19 19 LYS CA C 59.34 0.10 1 79 19 19 LYS CB C 31.20 0.10 1 80 19 19 LYS N N 121.23 0.10 1 81 20 20 SER H H 8.963 0.010 1 82 20 20 SER C C 179.00 0.10 1 83 20 20 SER CA C 61.06 0.10 1 84 20 20 SER CB C 62.13 0.10 1 85 20 20 SER N N 118.67 0.10 1 86 21 21 LEU H H 9.130 0.010 1 87 21 21 LEU C C 179.42 0.10 1 88 21 21 LEU CA C 56.71 0.10 1 89 21 21 LEU CB C 39.58 0.10 1 90 21 21 LEU N N 125.45 0.10 1 91 22 22 GLY H H 8.323 0.010 1 92 22 22 GLY C C 176.36 0.10 1 93 22 22 GLY CA C 46.90 0.10 1 94 22 22 GLY N N 108.60 0.10 1 95 23 23 GLU H H 7.547 0.010 1 96 23 23 GLU C C 178.62 0.10 1 97 23 23 GLU CA C 58.92 0.10 1 98 23 23 GLU CB C 28.70 0.10 1 99 23 23 GLU N N 122.61 0.10 1 100 24 24 LEU H H 7.488 0.010 1 101 24 24 LEU C C 179.05 0.10 1 102 24 24 LEU CA C 57.53 0.10 1 103 24 24 LEU CB C 41.24 0.10 1 104 24 24 LEU N N 123.56 0.10 1 105 25 25 ILE H H 8.836 0.010 1 106 25 25 ILE C C 176.83 0.10 1 107 25 25 ILE CA C 65.51 0.10 1 108 25 25 ILE CB C 37.37 0.10 1 109 25 25 ILE N N 120.68 0.10 1 110 26 26 HIS H H 8.095 0.010 1 111 26 26 HIS C C 178.98 0.10 1 112 26 26 HIS CA C 60.09 0.10 1 113 26 26 HIS CB C 29.09 0.10 1 114 26 26 HIS N N 119.56 0.10 1 115 27 27 THR H H 8.017 0.010 1 116 27 27 THR C C 176.76 0.10 1 117 27 27 THR CA C 66.17 0.10 1 118 27 27 THR CB C 68.01 0.10 1 119 27 27 THR N N 118.23 0.10 1 120 28 28 LEU H H 8.301 0.010 1 121 28 28 LEU C C 178.44 0.10 1 122 28 28 LEU CA C 57.87 0.10 1 123 28 28 LEU CB C 40.51 0.10 1 124 28 28 LEU N N 122.80 0.10 1 125 29 29 ASN H H 8.812 0.010 1 126 29 29 ASN C C 177.99 0.10 1 127 29 29 ASN CA C 54.32 0.10 1 128 29 29 ASN CB C 37.39 0.10 1 129 29 29 ASN N N 117.50 0.10 1 130 30 30 GLY H H 7.389 0.010 1 131 30 30 GLY C C 173.87 0.10 1 132 30 30 GLY CA C 44.34 0.10 1 133 30 30 GLY N N 105.17 0.10 1 134 31 31 ALA H H 7.146 0.010 1 135 31 31 ALA C C 176.75 0.10 1 136 31 31 ALA CA C 51.25 0.10 1 137 31 31 ALA CB C 20.66 0.10 1 138 31 31 ALA N N 124.45 0.10 1 139 32 32 LYS H H 8.504 0.010 1 140 32 32 LYS C C 175.25 0.10 1 141 32 32 LYS CA C 54.95 0.10 1 142 32 32 LYS CB C 29.68 0.10 1 143 32 32 LYS N N 122.52 0.10 1 144 33 33 LEU H H 8.204 0.010 1 145 33 33 LEU C C 177.43 0.10 1 146 33 33 LEU CA C 53.01 0.10 1 147 33 33 LEU CB C 41.18 0.10 1 148 33 33 LEU N N 126.25 0.10 1 149 34 34 SER H H 8.696 0.010 1 150 34 34 SER C C 176.07 0.10 1 151 34 34 SER CA C 58.36 0.10 1 152 34 34 SER CB C 63.81 0.10 1 153 34 34 SER N N 119.29 0.10 1 154 35 35 ALA H H 8.801 0.010 1 155 35 35 ALA C C 177.77 0.10 1 156 35 35 ALA CA C 53.47 0.10 1 157 35 35 ALA CB C 18.21 0.10 1 158 35 35 ALA N N 129.95 0.10 1 159 36 36 ASP H H 8.027 0.010 1 160 36 36 ASP C C 174.74 0.10 1 161 36 36 ASP CA C 53.42 0.10 1 162 36 36 ASP CB C 40.26 0.10 1 163 36 36 ASP N N 115.35 0.10 1 164 37 37 THR H H 7.270 0.010 1 165 37 37 THR C C 172.90 0.10 1 166 37 37 THR CA C 61.25 0.10 1 167 37 37 THR CB C 70.39 0.10 1 168 37 37 THR N N 115.80 0.10 1 169 38 38 GLU H H 9.520 0.010 1 170 38 38 GLU C C 172.69 0.10 1 171 38 38 GLU CA C 55.19 0.10 1 172 38 38 GLU CB C 30.47 0.10 1 173 38 38 GLU N N 132.92 0.10 1 174 39 39 VAL H H 8.665 0.010 1 175 39 39 VAL C C 176.05 0.10 1 176 39 39 VAL CA C 60.31 0.10 1 177 39 39 VAL CB C 32.85 0.10 1 178 39 39 VAL N N 127.03 0.10 1 179 40 40 VAL H H 8.175 0.010 1 180 40 40 VAL C C 174.67 0.10 1 181 40 40 VAL CA C 59.41 0.10 1 182 40 40 VAL CB C 35.54 0.10 1 183 40 40 VAL N N 125.69 0.10 1 184 41 41 CYS H H 8.438 0.010 1 185 41 41 CYS C C 173.11 0.10 1 186 41 41 CYS CA C 58.30 0.10 1 187 41 41 CYS CB C 29.52 0.10 1 188 41 41 CYS N N 123.33 0.10 1 189 42 42 GLY H H 9.227 0.010 1 190 42 42 GLY C C 172.54 0.10 1 191 42 42 GLY CA C 45.09 0.10 1 192 42 42 GLY N N 113.06 0.10 1 193 43 43 ALA H H 7.186 0.010 1 194 43 43 ALA C C 173.52 0.10 1 195 43 43 ALA CA C 49.57 0.10 1 196 43 43 ALA CB C 18.82 0.10 1 197 43 43 ALA N N 129.35 0.10 1 198 45 45 SER C C 176.09 0.10 1 199 45 45 SER CA C 60.72 0.10 1 200 46 46 ILE H H 5.978 0.010 1 201 46 46 ILE C C 174.10 0.10 1 202 46 46 ILE CA C 61.12 0.10 1 203 46 46 ILE CB C 39.97 0.10 1 204 46 46 ILE N N 119.10 0.10 1 205 47 47 TYR H H 7.770 0.010 1 206 47 47 TYR C C 174.53 0.10 1 207 47 47 TYR CA C 56.32 0.10 1 208 47 47 TYR CB C 39.97 0.10 1 209 47 47 TYR N N 118.69 0.10 1 210 48 48 LEU H H 7.194 0.010 1 211 48 48 LEU C C 176.62 0.10 1 212 48 48 LEU CA C 59.08 0.10 1 213 48 48 LEU CB C 42.21 0.10 1 214 48 48 LEU N N 123.96 0.10 1 215 49 49 ASP H H 9.197 0.010 1 216 49 49 ASP C C 177.04 0.10 1 217 49 49 ASP CA C 56.86 0.10 1 218 49 49 ASP CB C 40.53 0.10 1 219 49 49 ASP N N 119.58 0.10 1 220 50 50 PHE H H 8.708 0.010 1 221 50 50 PHE C C 176.30 0.10 1 222 50 50 PHE CA C 60.88 0.10 1 223 50 50 PHE CB C 39.38 0.10 1 224 50 50 PHE N N 120.42 0.10 1 225 51 51 ALA H H 9.134 0.010 1 226 51 51 ALA C C 178.85 0.10 1 227 51 51 ALA CA C 54.64 0.10 1 228 51 51 ALA CB C 16.79 0.10 1 229 51 51 ALA N N 119.02 0.10 1 230 52 52 ARG H H 8.569 0.010 1 231 52 52 ARG C C 179.19 0.10 1 232 52 52 ARG CA C 56.71 0.10 1 233 52 52 ARG CB C 31.68 0.10 1 234 52 52 ARG N N 118.06 0.10 1 235 53 53 GLN H H 8.526 0.010 1 236 53 53 GLN C C 178.48 0.10 1 237 53 53 GLN CA C 58.37 0.10 1 238 53 53 GLN CB C 28.40 0.10 1 239 53 53 GLN N N 119.00 0.10 1 240 54 54 LYS H H 7.596 0.010 1 241 54 54 LYS C C 178.57 0.10 1 242 54 54 LYS CA C 55.49 0.10 1 243 54 54 LYS CB C 32.68 0.10 1 244 54 54 LYS N N 115.93 0.10 1 245 55 55 LEU H H 8.428 0.010 1 246 55 55 LEU C C 177.03 0.10 1 247 55 55 LEU CA C 55.39 0.10 1 248 55 55 LEU CB C 42.37 0.10 1 249 55 55 LEU N N 123.71 0.10 1 250 56 56 ASP H H 8.972 0.010 1 251 56 56 ASP C C 176.99 0.10 1 252 56 56 ASP CA C 54.66 0.10 1 253 56 56 ASP CB C 42.59 0.10 1 254 56 56 ASP N N 124.91 0.10 1 255 57 57 ALA H H 8.518 0.010 1 256 57 57 ALA C C 178.39 0.10 1 257 57 57 ALA CA C 54.63 0.10 1 258 57 57 ALA CB C 18.52 0.10 1 259 57 57 ALA N N 128.10 0.10 1 260 58 58 LYS H H 8.911 0.010 1 261 58 58 LYS C C 176.10 0.10 1 262 58 58 LYS CA C 57.55 0.10 1 263 58 58 LYS CB C 30.77 0.10 1 264 58 58 LYS N N 116.99 0.10 1 265 59 59 ILE H H 8.379 0.010 1 266 59 59 ILE C C 175.59 0.10 1 267 59 59 ILE CA C 60.56 0.10 1 268 59 59 ILE CB C 37.94 0.10 1 269 59 59 ILE N N 123.68 0.10 1 270 60 60 GLY H H 8.876 0.010 1 271 60 60 GLY C C 171.94 0.10 1 272 60 60 GLY CA C 44.77 0.10 1 273 60 60 GLY N N 114.50 0.10 1 274 61 61 VAL H H 8.544 0.010 1 275 61 61 VAL C C 173.25 0.10 1 276 61 61 VAL CA C 60.89 0.10 1 277 61 61 VAL CB C 34.56 0.10 1 278 61 61 VAL N N 120.57 0.10 1 279 62 62 ALA H H 8.634 0.010 1 280 62 62 ALA C C 176.33 0.10 1 281 62 62 ALA CA C 47.57 0.10 1 282 62 62 ALA CB C 21.95 0.10 1 283 62 62 ALA N N 127.41 0.10 1 284 63 63 ALA H H 8.187 0.010 1 285 63 63 ALA C C 177.88 0.10 1 286 63 63 ALA CA C 49.97 0.10 1 287 63 63 ALA CB C 20.67 0.10 1 288 63 63 ALA N N 120.45 0.10 1 289 64 64 GLN H H 10.10 0.010 1 290 64 64 GLN C C 172.30 0.10 1 291 64 64 GLN CA C 56.19 0.10 1 292 64 64 GLN CB C 28.40 0.10 1 293 64 64 GLN N N 120.34 0.10 1 294 65 65 ASN H H 6.978 0.010 1 295 65 65 ASN C C 173.29 0.10 1 296 65 65 ASN CA C 52.05 0.10 1 297 65 65 ASN CB C 38.32 0.10 1 298 65 65 ASN N N 106.16 0.10 1 299 66 66 CYS H H 7.576 0.010 1 300 66 66 CYS C C 171.59 0.10 1 301 66 66 CYS CA C 57.04 0.10 1 302 66 66 CYS CB C 30.14 0.10 1 303 66 66 CYS N N 113.85 0.10 1 304 67 67 TYR H H 8.879 0.010 1 305 67 67 TYR C C 175.31 0.10 1 306 67 67 TYR CA C 56.90 0.10 1 307 67 67 TYR CB C 39.97 0.10 1 308 67 67 TYR N N 117.41 0.10 1 309 70 70 PRO C C 178.81 0.10 1 310 70 70 PRO CA C 65.17 0.10 1 311 70 70 PRO CB C 32.74 0.10 1 312 71 71 LYS H H 7.250 0.010 1 313 71 71 LYS C C 174.60 0.10 1 314 71 71 LYS CA C 53.68 0.10 1 315 71 71 LYS CB C 33.56 0.10 1 316 71 71 LYS N N 111.25 0.10 1 317 72 72 GLY H H 8.318 0.010 1 318 72 72 GLY C C 172.96 0.10 1 319 72 72 GLY CA C 44.21 0.10 1 320 72 72 GLY N N 105.52 0.10 1 321 73 73 ALA H H 8.279 0.010 1 322 73 73 ALA C C 173.34 0.10 1 323 73 73 ALA CA C 50.58 0.10 1 324 73 73 ALA CB C 14.42 0.10 1 325 73 73 ALA N N 128.93 0.10 1 326 74 74 PHE H H 7.200 0.010 1 327 74 74 PHE C C 173.77 0.10 1 328 74 74 PHE CA C 54.56 0.10 1 329 74 74 PHE CB C 39.13 0.10 1 330 74 74 PHE N N 120.14 0.10 1 331 75 75 THR H H 9.134 0.010 1 332 75 75 THR C C 174.76 0.10 1 333 75 75 THR CA C 67.06 0.10 1 334 75 75 THR CB C 69.48 0.10 1 335 75 75 THR N N 120.79 0.10 1 336 76 76 GLY H H 9.026 0.010 1 337 76 76 GLY C C 174.46 0.10 1 338 76 76 GLY CA C 44.79 0.10 1 339 76 76 GLY N N 112.22 0.10 1 340 77 77 GLU H H 8.020 0.010 1 341 77 77 GLU C C 175.86 0.10 1 342 77 77 GLU CA C 54.50 0.10 1 343 77 77 GLU CB C 32.69 0.10 1 344 77 77 GLU N N 122.49 0.10 1 345 78 78 ILE H H 8.841 0.010 1 346 78 78 ILE C C 173.85 0.10 1 347 78 78 ILE CA C 59.25 0.10 1 348 78 78 ILE CB C 42.28 0.10 1 349 78 78 ILE N N 113.08 0.10 1 350 79 79 SER H H 7.627 0.010 1 351 79 79 SER C C 174.20 0.10 1 352 79 79 SER CA C 54.23 0.10 1 353 79 79 SER CB C 66.05 0.10 1 354 79 79 SER N N 115.39 0.10 1 355 80 80 PRO C C 176.51 0.10 1 356 80 80 PRO CA C 66.01 0.10 1 357 80 80 PRO CB C 30.39 0.10 1 358 81 81 ALA H H 8.996 0.010 1 359 81 81 ALA C C 180.61 0.10 1 360 81 81 ALA CA C 55.17 0.10 1 361 81 81 ALA CB C 17.67 0.10 1 362 81 81 ALA N N 120.31 0.10 1 363 82 82 MET H H 7.505 0.010 1 364 82 82 MET C C 176.81 0.10 1 365 82 82 MET CA C 58.09 0.10 1 366 82 82 MET CB C 32.20 0.10 1 367 82 82 MET N N 119.59 0.10 1 368 83 83 ILE C C 177.63 0.10 1 369 83 83 ILE CA C 65.53 0.10 1 370 83 83 ILE CB C 37.82 0.10 1 371 84 84 LYS H H 8.563 0.010 1 372 84 84 LYS C C 180.71 0.10 1 373 84 84 LYS CA C 58.47 0.10 1 374 84 84 LYS CB C 31.45 0.10 1 375 84 84 LYS N N 118.56 0.10 1 376 85 85 ASP H H 7.734 0.010 1 377 85 85 ASP C C 177.28 0.10 1 378 85 85 ASP CA C 56.82 0.10 1 379 85 85 ASP CB C 41.62 0.10 1 380 85 85 ASP N N 122.11 0.10 1 381 86 86 ILE C C 175.90 0.10 1 382 86 86 ILE CA C 59.20 0.10 1 383 86 86 ILE CB C 37.77 0.10 1 384 87 87 GLY H H 7.822 0.010 1 385 87 87 GLY C C 175.36 0.10 1 386 87 87 GLY CA C 44.48 0.10 1 387 87 87 GLY N N 106.71 0.10 1 388 88 88 ALA H H 7.620 0.010 1 389 88 88 ALA C C 175.43 0.10 1 390 88 88 ALA CA C 52.31 0.10 1 391 88 88 ALA CB C 19.32 0.10 1 392 88 88 ALA N N 125.51 0.10 1 393 89 89 ALA H H 7.751 0.010 1 394 89 89 ALA C C 176.23 0.10 1 395 89 89 ALA CA C 51.58 0.10 1 396 89 89 ALA CB C 21.87 0.10 1 397 89 89 ALA N N 121.43 0.10 1 398 90 90 TRP H H 7.664 0.010 1 399 90 90 TRP C C 175.08 0.10 1 400 90 90 TRP CA C 54.96 0.10 1 401 90 90 TRP CB C 35.43 0.10 1 402 90 90 TRP N N 118.23 0.10 1 403 91 91 VAL H H 8.707 0.010 1 404 91 91 VAL C C 171.96 0.10 1 405 91 91 VAL CA C 59.57 0.10 1 406 91 91 VAL CB C 34.56 0.10 1 407 91 91 VAL N N 118.16 0.10 1 408 92 92 ILE H H 8.141 0.010 1 409 92 92 ILE C C 174.28 0.10 1 410 92 92 ILE CA C 59.98 0.10 1 411 92 92 ILE CB C 38.57 0.10 1 412 92 92 ILE N N 129.33 0.10 1 413 93 93 LEU H H 9.146 0.010 1 414 93 93 LEU C C 176.49 0.10 1 415 93 93 LEU CA C 52.44 0.10 1 416 93 93 LEU CB C 46.82 0.10 1 417 93 93 LEU N N 125.45 0.10 1 418 94 94 GLY H H 9.206 0.010 1 419 94 94 GLY C C 172.71 0.10 1 420 94 94 GLY CA C 45.39 0.10 1 421 94 94 GLY N N 107.41 0.10 1 422 95 95 HIS H H 7.550 0.010 1 423 95 95 HIS C C 176.66 0.10 1 424 95 95 HIS CA C 59.37 0.10 1 425 95 95 HIS CB C 31.87 0.10 1 426 95 95 HIS N N 119.08 0.10 1 427 96 96 SER C C 177.11 0.10 1 428 96 96 SER CA C 62.26 0.10 1 429 97 97 GLU H H 10.78 0.010 1 430 97 97 GLU C C 181.22 0.10 1 431 97 97 GLU CA C 60.28 0.10 1 432 97 97 GLU CB C 27.61 0.10 1 433 97 97 GLU N N 126.04 0.10 1 434 98 98 ARG H H 8.021 0.010 1 435 98 98 ARG C C 178.73 0.10 1 436 98 98 ARG CA C 58.43 0.10 1 437 98 98 ARG CB C 25.63 0.10 1 438 98 98 ARG N N 116.48 0.10 1 439 99 99 ARG H H 7.763 0.010 1 440 99 99 ARG C C 178.71 0.10 1 441 99 99 ARG CA C 58.38 0.10 1 442 99 99 ARG CB C 29.14 0.10 1 443 99 99 ARG N N 117.68 0.10 1 444 100 100 HIS H H 8.430 0.010 1 445 100 100 HIS C C 177.35 0.10 1 446 100 100 HIS CA C 57.40 0.10 1 447 100 100 HIS CB C 30.50 0.10 1 448 100 100 HIS N N 114.44 0.10 1 449 101 101 VAL H H 7.780 0.010 1 450 101 101 VAL C C 177.62 0.10 1 451 101 101 VAL CA C 64.34 0.10 1 452 101 101 VAL CB C 30.62 0.10 1 453 101 101 VAL N N 119.41 0.10 1 454 102 102 PHE H H 6.610 0.010 1 455 102 102 PHE C C 176.07 0.10 1 456 102 102 PHE CA C 58.57 0.10 1 457 102 102 PHE CB C 38.83 0.10 1 458 102 102 PHE N N 114.08 0.10 1 459 103 103 GLY H H 6.773 0.010 1 460 103 103 GLY C C 175.38 0.10 1 461 103 103 GLY CA C 46.91 0.10 1 462 103 103 GLY N N 108.54 0.10 1 463 104 104 GLU H H 8.109 0.010 1 464 104 104 GLU C C 175.76 0.10 1 465 104 104 GLU CA C 58.70 0.10 1 466 104 104 GLU CB C 28.06 0.10 1 467 104 104 GLU N N 121.50 0.10 1 468 105 105 SER H H 8.114 0.010 1 469 105 105 SER C C 174.51 0.10 1 470 105 105 SER CA C 56.22 0.10 1 471 105 105 SER CB C 65.84 0.10 1 472 105 105 SER N N 120.31 0.10 1 473 106 106 ASP H H 8.637 0.010 1 474 106 106 ASP C C 178.09 0.10 1 475 106 106 ASP CA C 58.42 0.10 1 476 106 106 ASP CB C 40.89 0.10 1 477 106 106 ASP N N 120.20 0.10 1 478 107 107 GLU H H 8.323 0.010 1 479 107 107 GLU C C 178.73 0.10 1 480 107 107 GLU CA C 58.98 0.10 1 481 107 107 GLU CB C 29.12 0.10 1 482 107 107 GLU N N 119.30 0.10 1 483 108 108 LEU H H 7.759 0.010 1 484 108 108 LEU C C 178.91 0.10 1 485 108 108 LEU CA C 57.15 0.10 1 486 108 108 LEU CB C 40.15 0.10 1 487 108 108 LEU N N 122.47 0.10 1 488 109 109 ILE H H 8.803 0.010 1 489 109 109 ILE C C 178.16 0.10 1 490 109 109 ILE CA C 65.47 0.10 1 491 109 109 ILE CB C 36.95 0.10 1 492 109 109 ILE N N 120.77 0.10 1 493 110 110 GLY H H 8.624 0.010 1 494 110 110 GLY C C 175.13 0.10 1 495 110 110 GLY CA C 47.65 0.10 1 496 110 110 GLY N N 107.30 0.10 1 497 111 111 GLN H H 7.528 0.010 1 498 111 111 GLN C C 180.78 0.10 1 499 111 111 GLN CA C 58.10 0.10 1 500 111 111 GLN CB C 27.55 0.10 1 501 111 111 GLN N N 119.61 0.10 1 502 112 112 LYS H H 8.521 0.010 1 503 112 112 LYS C C 177.19 0.10 1 504 112 112 LYS CA C 60.46 0.10 1 505 112 112 LYS CB C 33.23 0.10 1 506 112 112 LYS N N 121.86 0.10 1 507 113 113 VAL H H 8.627 0.010 1 508 113 113 VAL C C 176.86 0.10 1 509 113 113 VAL CA C 66.15 0.10 1 510 113 113 VAL CB C 30.97 0.10 1 511 113 113 VAL N N 120.95 0.10 1 512 114 114 ALA H H 7.911 0.010 1 513 114 114 ALA C C 181.08 0.10 1 514 114 114 ALA CA C 54.65 0.10 1 515 114 114 ALA CB C 18.38 0.10 1 516 114 114 ALA N N 118.72 0.10 1 517 115 115 HIS H H 7.647 0.010 1 518 115 115 HIS C C 175.97 0.10 1 519 115 115 HIS CA C 58.58 0.10 1 520 115 115 HIS CB C 28.61 0.10 1 521 115 115 HIS N N 117.31 0.10 1 522 116 116 ALA H H 8.644 0.010 1 523 116 116 ALA C C 179.41 0.10 1 524 116 116 ALA CA C 55.56 0.10 1 525 116 116 ALA CB C 17.04 0.10 1 526 116 116 ALA N N 120.43 0.10 1 527 117 117 LEU H H 8.050 0.010 1 528 117 117 LEU C C 182.56 0.10 1 529 117 117 LEU CA C 56.53 0.10 1 530 117 117 LEU CB C 40.80 0.10 1 531 117 117 LEU N N 115.34 0.10 1 532 118 118 ALA H H 7.896 0.010 1 533 118 118 ALA C C 179.94 0.10 1 534 118 118 ALA CA C 54.67 0.10 1 535 118 118 ALA CB C 17.01 0.10 1 536 118 118 ALA N N 125.47 0.10 1 537 119 119 GLU H H 7.382 0.010 1 538 119 119 GLU C C 176.16 0.10 1 539 119 119 GLU CA C 55.33 0.10 1 540 119 119 GLU CB C 30.30 0.10 1 541 119 119 GLU N N 116.24 0.10 1 542 120 120 GLY H H 7.469 0.010 1 543 120 120 GLY C C 175.23 0.10 1 544 120 120 GLY CA C 44.96 0.10 1 545 120 120 GLY N N 105.64 0.10 1 546 121 121 LEU H H 7.640 0.010 1 547 121 121 LEU C C 176.44 0.10 1 548 121 121 LEU CA C 53.30 0.10 1 549 121 121 LEU CB C 42.05 0.10 1 550 121 121 LEU N N 120.77 0.10 1 551 122 122 GLY H H 7.712 0.010 1 552 122 122 GLY C C 173.93 0.10 1 553 122 122 GLY CA C 44.29 0.10 1 554 122 122 GLY N N 106.59 0.10 1 555 123 123 VAL H H 8.725 0.010 1 556 123 123 VAL C C 174.50 0.10 1 557 123 123 VAL CA C 59.76 0.10 1 558 123 123 VAL CB C 36.41 0.10 1 559 123 123 VAL N N 121.04 0.10 1 560 124 124 ILE H H 8.656 0.010 1 561 124 124 ILE C C 173.84 0.10 1 562 124 124 ILE CA C 59.64 0.10 1 563 124 124 ILE CB C 38.19 0.10 1 564 124 124 ILE N N 128.05 0.10 1 565 125 125 ALA H H 9.104 0.010 1 566 125 125 ALA C C 175.37 0.10 1 567 125 125 ALA CA C 49.56 0.10 1 568 125 125 ALA CB C 18.98 0.10 1 569 125 125 ALA N N 131.10 0.10 1 570 126 126 CYS C C 172.97 0.10 1 571 126 126 CYS CA C 57.51 0.10 1 572 126 126 CYS CB C 29.06 0.10 1 573 127 127 ILE H H 8.658 0.010 1 574 127 127 ILE C C 175.04 0.10 1 575 127 127 ILE CA C 59.46 0.10 1 576 127 127 ILE CB C 39.73 0.10 1 577 127 127 ILE N N 118.85 0.10 1 578 128 128 GLY H H 9.684 0.010 1 579 128 128 GLY C C 172.58 0.10 1 580 128 128 GLY CA C 47.30 0.10 1 581 128 128 GLY N N 108.17 0.10 1 582 129 129 GLU H H 9.938 0.010 1 583 129 129 GLU C C 173.68 0.10 1 584 129 129 GLU CA C 54.04 0.10 1 585 129 129 GLU CB C 29.72 0.10 1 586 129 129 GLU N N 129.16 0.10 1 587 130 130 LYS H H 9.187 0.010 1 588 130 130 LYS C C 178.33 0.10 1 589 130 130 LYS CA C 55.46 0.10 1 590 130 130 LYS CB C 33.95 0.10 1 591 130 130 LYS N N 121.28 0.10 1 592 131 131 LEU H H 9.211 0.010 1 593 131 131 LEU C C 177.45 0.10 1 594 131 131 LEU CA C 59.07 0.10 1 595 131 131 LEU CB C 40.83 0.10 1 596 131 131 LEU N N 123.23 0.10 1 597 132 132 ASP H H 8.780 0.010 1 598 132 132 ASP C C 178.92 0.10 1 599 132 132 ASP CA C 56.19 0.10 1 600 132 132 ASP CB C 38.32 0.10 1 601 132 132 ASP N N 116.23 0.10 1 602 133 133 GLU H H 6.821 0.010 1 603 133 133 GLU C C 177.38 0.10 1 604 133 133 GLU CA C 57.51 0.10 1 605 133 133 GLU CB C 29.23 0.10 1 606 133 133 GLU N N 122.00 0.10 1 607 134 134 ARG H H 8.265 0.010 1 608 134 134 ARG C C 181.05 0.10 1 609 134 134 ARG CA C 58.16 0.10 1 610 134 134 ARG CB C 28.41 0.10 1 611 134 134 ARG N N 121.39 0.10 1 612 135 135 GLU H H 8.960 0.010 1 613 135 135 GLU C C 177.75 0.10 1 614 135 135 GLU CA C 58.85 0.10 1 615 135 135 GLU CB C 28.90 0.10 1 616 135 135 GLU N N 120.08 0.10 1 617 136 136 ALA H H 7.321 0.010 1 618 136 136 ALA C C 177.62 0.10 1 619 136 136 ALA CA C 51.88 0.10 1 620 136 136 ALA CB C 18.48 0.10 1 621 136 136 ALA N N 119.60 0.10 1 622 137 137 GLY H H 7.712 0.010 1 623 137 137 GLY C C 176.75 0.10 1 624 137 137 GLY CA C 45.46 0.10 1 625 137 137 GLY N N 106.59 0.10 1 626 138 138 ILE H H 7.614 0.010 1 627 138 138 ILE C C 174.47 0.10 1 628 138 138 ILE CA C 60.12 0.10 1 629 138 138 ILE CB C 37.14 0.10 1 630 138 138 ILE N N 111.46 0.10 1 631 139 139 THR H H 7.398 0.010 1 632 139 139 THR C C 174.39 0.10 1 633 139 139 THR CA C 69.08 0.10 1 634 139 139 THR CB C 69.02 0.10 1 635 139 139 THR N N 117.84 0.10 1 636 140 140 GLU H H 8.445 0.010 1 637 140 140 GLU C C 175.59 0.10 1 638 140 140 GLU CA C 59.75 0.10 1 639 140 140 GLU CB C 27.86 0.10 1 640 140 140 GLU N N 117.00 0.10 1 641 141 141 LYS H H 7.128 0.010 1 642 141 141 LYS C C 179.33 0.10 1 643 141 141 LYS CA C 59.13 0.10 1 644 141 141 LYS CB C 31.95 0.10 1 645 141 141 LYS N N 118.21 0.10 1 646 142 142 VAL H H 7.849 0.010 1 647 142 142 VAL C C 178.65 0.10 1 648 142 142 VAL CA C 65.84 0.10 1 649 142 142 VAL CB C 31.87 0.10 1 650 142 142 VAL N N 117.52 0.10 1 651 143 143 VAL H H 8.487 0.010 1 652 143 143 VAL C C 180.39 0.10 1 653 143 143 VAL CA C 64.80 0.10 1 654 143 143 VAL CB C 30.74 0.10 1 655 143 143 VAL N N 113.64 0.10 1 656 144 144 PHE H H 8.847 0.010 1 657 144 144 PHE C C 178.07 0.10 1 658 144 144 PHE CA C 56.69 0.10 1 659 144 144 PHE CB C 35.14 0.10 1 660 144 144 PHE N N 123.52 0.10 1 661 145 145 GLU H H 7.934 0.010 1 662 145 145 GLU C C 180.12 0.10 1 663 145 145 GLU CA C 59.52 0.10 1 664 145 145 GLU CB C 28.33 0.10 1 665 145 145 GLU N N 123.10 0.10 1 666 146 146 GLN H H 8.264 0.010 1 667 146 146 GLN C C 180.29 0.10 1 668 146 146 GLN CA C 58.23 0.10 1 669 146 146 GLN CB C 28.81 0.10 1 670 146 146 GLN N N 119.97 0.10 1 671 147 147 THR H H 8.058 0.010 1 672 147 147 THR C C 175.62 0.10 1 673 147 147 THR CA C 67.62 0.10 1 674 147 147 THR CB C 66.63 0.10 1 675 147 147 THR N N 118.14 0.10 1 676 148 148 LYS H H 8.108 0.010 1 677 148 148 LYS C C 176.84 0.10 1 678 148 148 LYS CA C 59.58 0.10 1 679 148 148 LYS CB C 31.65 0.10 1 680 148 148 LYS N N 124.52 0.10 1 681 149 149 ALA H H 7.216 0.010 1 682 149 149 ALA C C 179.78 0.10 1 683 149 149 ALA CA C 54.34 0.10 1 684 149 149 ALA CB C 17.64 0.10 1 685 149 149 ALA N N 118.89 0.10 1 686 150 150 ILE H H 6.934 0.010 1 687 150 150 ILE C C 177.18 0.10 1 688 150 150 ILE CA C 64.55 0.10 1 689 150 150 ILE CB C 38.08 0.10 1 690 150 150 ILE N N 117.23 0.10 1 691 151 151 ALA H H 9.477 0.010 1 692 151 151 ALA C C 180.21 0.10 1 693 151 151 ALA CA C 55.23 0.10 1 694 151 151 ALA CB C 18.80 0.10 1 695 151 151 ALA N N 122.73 0.10 1 696 152 152 ASP H H 8.882 0.010 1 697 152 152 ASP C C 176.57 0.10 1 698 152 152 ASP CA C 56.08 0.10 1 699 152 152 ASP CB C 39.98 0.10 1 700 152 152 ASP N N 117.82 0.10 1 701 153 153 ASN H H 8.204 0.010 1 702 153 153 ASN C C 172.96 0.10 1 703 153 153 ASN CA C 53.35 0.10 1 704 153 153 ASN CB C 41.97 0.10 1 705 153 153 ASN N N 117.96 0.10 1 706 154 154 VAL H H 7.299 0.010 1 707 154 154 VAL C C 175.31 0.10 1 708 154 154 VAL CA C 62.02 0.10 1 709 154 154 VAL CB C 33.58 0.10 1 710 154 154 VAL N N 121.30 0.10 1 711 155 155 LYS H H 7.909 0.010 1 712 155 155 LYS C C 175.99 0.10 1 713 155 155 LYS CA C 55.92 0.10 1 714 155 155 LYS CB C 32.21 0.10 1 715 155 155 LYS N N 125.70 0.10 1 716 156 156 ASP H H 7.417 0.010 1 717 156 156 ASP C C 175.71 0.10 1 718 156 156 ASP CA C 52.21 0.10 1 719 156 156 ASP CB C 40.91 0.10 1 720 156 156 ASP N N 119.99 0.10 1 721 157 157 TRP H H 8.902 0.010 1 722 157 157 TRP C C 178.03 0.10 1 723 157 157 TRP CA C 59.33 0.10 1 724 157 157 TRP CB C 28.41 0.10 1 725 157 157 TRP N N 126.25 0.10 1 726 158 158 SER H H 8.640 0.010 1 727 158 158 SER C C 175.83 0.10 1 728 158 158 SER CA C 62.13 0.10 1 729 158 158 SER CB C 62.88 0.10 1 730 158 158 SER N N 118.73 0.10 1 731 159 159 LYS H H 7.966 0.010 1 732 159 159 LYS C C 172.76 0.10 1 733 159 159 LYS CA C 54.11 0.10 1 734 159 159 LYS CB C 31.37 0.10 1 735 159 159 LYS N N 122.29 0.10 1 736 160 160 VAL H H 7.191 0.010 1 737 160 160 VAL C C 174.60 0.10 1 738 160 160 VAL CA C 61.05 0.10 1 739 160 160 VAL CB C 33.63 0.10 1 740 160 160 VAL N N 117.99 0.10 1 741 161 161 VAL H H 9.024 0.010 1 742 161 161 VAL C C 174.67 0.10 1 743 161 161 VAL CA C 61.02 0.10 1 744 161 161 VAL CB C 34.56 0.10 1 745 161 161 VAL N N 128.81 0.10 1 746 162 162 LEU H H 8.384 0.010 1 747 162 162 LEU C C 174.44 0.10 1 748 162 162 LEU CA C 52.69 0.10 1 749 162 162 LEU CB C 44.09 0.10 1 750 162 162 LEU N N 127.04 0.10 1 751 163 163 ALA H H 9.115 0.010 1 752 163 163 ALA C C 175.04 0.10 1 753 163 163 ALA CA C 49.06 0.10 1 754 163 163 ALA CB C 21.68 0.10 1 755 163 163 ALA N N 126.44 0.10 1 756 164 164 TYR H H 8.596 0.010 1 757 164 164 TYR C C 173.82 0.10 1 758 164 164 TYR CA C 55.81 0.10 1 759 164 164 TYR CB C 37.08 0.10 1 760 164 164 TYR N N 121.90 0.10 1 761 165 165 GLU H H 9.444 0.010 1 762 165 165 GLU CA C 51.46 0.10 1 763 165 165 GLU N N 129.67 0.10 1 764 166 166 PRO C C 175.24 0.10 1 765 166 166 PRO CA C 59.33 0.10 1 766 167 167 VAL H H 7.989 0.010 1 767 167 167 VAL C C 176.90 0.10 1 768 167 167 VAL CA C 66.54 0.10 1 769 167 167 VAL N N 130.68 0.10 1 770 168 168 TRP H H 7.757 0.010 1 771 168 168 TRP C C 173.92 0.10 1 772 168 168 TRP CA C 56.56 0.10 1 773 168 168 TRP CB C 28.78 0.10 1 774 168 168 TRP N N 117.57 0.10 1 775 169 169 ALA H H 7.394 0.010 1 776 169 169 ALA C C 176.56 0.10 1 777 169 169 ALA CA C 50.76 0.10 1 778 169 169 ALA CB C 17.37 0.10 1 779 169 169 ALA N N 125.44 0.10 1 780 170 170 ILE H H 7.431 0.010 1 781 170 170 ILE C C 176.43 0.10 1 782 170 170 ILE CA C 61.03 0.10 1 783 170 170 ILE CB C 37.26 0.10 1 784 170 170 ILE N N 121.86 0.10 1 785 171 171 GLY C C 174.81 0.10 1 786 171 171 GLY CA C 45.58 0.10 1 787 172 172 THR H H 7.338 0.010 1 788 172 172 THR C C 176.03 0.10 1 789 172 172 THR CA C 60.70 0.10 1 790 172 172 THR CB C 70.98 0.10 1 791 172 172 THR N N 108.01 0.10 1 792 173 173 GLY H H 8.542 0.010 1 793 173 173 GLY C C 174.16 0.10 1 794 173 173 GLY CA C 44.83 0.10 1 795 173 173 GLY N N 112.08 0.10 1 796 174 174 LYS H H 7.712 0.010 1 797 174 174 LYS C C 175.56 0.10 1 798 174 174 LYS CA C 54.27 0.10 1 799 174 174 LYS CB C 32.41 0.10 1 800 174 174 LYS N N 120.65 0.10 1 801 175 175 THR H H 8.376 0.010 1 802 175 175 THR C C 172.90 0.10 1 803 175 175 THR CA C 60.87 0.10 1 804 175 175 THR CB C 70.70 0.10 1 805 175 175 THR N N 115.88 0.10 1 806 176 176 ALA H H 8.283 0.010 1 807 176 176 ALA C C 177.99 0.10 1 808 176 176 ALA CA C 50.42 0.10 1 809 176 176 ALA CB C 19.54 0.10 1 810 176 176 ALA N N 128.47 0.10 1 811 177 177 THR H H 9.153 0.010 1 812 177 177 THR C C 174.27 0.10 1 813 177 177 THR CA C 59.08 0.10 1 814 177 177 THR CB C 68.43 0.10 1 815 177 177 THR N N 115.82 0.10 1 816 178 178 PRO C C 177.55 0.10 1 817 178 178 PRO CA C 65.16 0.10 1 818 178 178 PRO CB C 31.01 0.10 1 819 179 179 GLN H H 7.947 0.010 1 820 179 179 GLN C C 179.00 0.10 1 821 179 179 GLN CA C 59.36 0.10 1 822 179 179 GLN CB C 26.85 0.10 1 823 179 179 GLN N N 115.21 0.10 1 824 180 180 GLN H H 7.936 0.010 1 825 180 180 GLN C C 180.22 0.10 1 826 180 180 GLN CA C 58.40 0.10 1 827 180 180 GLN CB C 28.22 0.10 1 828 180 180 GLN N N 121.06 0.10 1 829 181 181 ALA H H 7.885 0.010 1 830 181 181 ALA C C 177.65 0.10 1 831 181 181 ALA CA C 55.35 0.10 1 832 181 181 ALA CB C 17.57 0.10 1 833 181 181 ALA N N 123.51 0.10 1 834 182 182 GLN H H 8.139 0.010 1 835 182 182 GLN C C 177.20 0.10 1 836 182 182 GLN CA C 57.28 0.10 1 837 182 182 GLN CB C 26.43 0.10 1 838 182 182 GLN N N 118.21 0.10 1 839 183 183 GLU H H 7.922 0.010 1 840 183 183 GLU C C 179.09 0.10 1 841 183 183 GLU CA C 58.75 0.10 1 842 183 183 GLU CB C 29.31 0.10 1 843 183 183 GLU N N 117.06 0.10 1 844 184 184 VAL H H 7.154 0.010 1 845 184 184 VAL C C 178.01 0.10 1 846 184 184 VAL CA C 66.39 0.10 1 847 184 184 VAL CB C 31.66 0.10 1 848 184 184 VAL N N 117.82 0.10 1 849 185 185 HIS H H 8.825 0.010 1 850 185 185 HIS C C 177.56 0.10 1 851 185 185 HIS CA C 61.90 0.10 1 852 185 185 HIS CB C 27.98 0.10 1 853 185 185 HIS N N 121.34 0.10 1 854 186 186 GLU H H 8.971 0.010 1 855 186 186 GLU C C 180.11 0.10 1 856 186 186 GLU CA C 59.43 0.10 1 857 186 186 GLU CB C 28.79 0.10 1 858 186 186 GLU N N 118.97 0.10 1 859 187 187 LYS H H 7.596 0.010 1 860 187 187 LYS C C 180.48 0.10 1 861 187 187 LYS CA C 58.99 0.10 1 862 187 187 LYS CB C 31.71 0.10 1 863 187 187 LYS N N 121.78 0.10 1 864 188 188 LEU H H 8.792 0.010 1 865 188 188 LEU C C 178.26 0.10 1 866 188 188 LEU CA C 57.54 0.10 1 867 188 188 LEU CB C 41.77 0.10 1 868 188 188 LEU N N 123.00 0.10 1 869 189 189 ARG H H 8.524 0.010 1 870 189 189 ARG C C 179.34 0.10 1 871 189 189 ARG CA C 60.47 0.10 1 872 189 189 ARG CB C 27.77 0.10 1 873 189 189 ARG N N 122.50 0.10 1 874 190 190 GLY H H 8.193 0.010 1 875 190 190 GLY C C 176.36 0.10 1 876 190 190 GLY CA C 46.41 0.10 1 877 190 190 GLY N N 105.82 0.10 1 878 191 191 TRP H H 8.251 0.010 1 879 191 191 TRP C C 179.91 0.10 1 880 191 191 TRP CA C 62.09 0.10 1 881 191 191 TRP CB C 29.04 0.10 1 882 191 191 TRP N N 126.87 0.10 1 883 192 192 LEU H H 8.294 0.010 1 884 192 192 LEU C C 178.54 0.10 1 885 192 192 LEU CA C 57.81 0.10 1 886 192 192 LEU CB C 41.41 0.10 1 887 192 192 LEU N N 120.06 0.10 1 888 193 193 LYS H H 7.954 0.010 1 889 193 193 LYS C C 176.76 0.10 1 890 193 193 LYS CA C 58.88 0.10 1 891 193 193 LYS CB C 31.62 0.10 1 892 193 193 LYS N N 120.87 0.10 1 893 194 194 SER H H 7.471 0.010 1 894 194 194 SER C C 175.73 0.10 1 895 194 194 SER CA C 59.37 0.10 1 896 194 194 SER CB C 63.56 0.10 1 897 194 194 SER N N 110.20 0.10 1 898 195 195 HIS H H 7.913 0.010 1 899 195 195 HIS C C 174.45 0.10 1 900 195 195 HIS CA C 56.61 0.10 1 901 195 195 HIS CB C 27.16 0.10 1 902 195 195 HIS N N 115.68 0.10 1 903 196 196 VAL H H 7.651 0.010 1 904 196 196 VAL C C 174.54 0.10 1 905 196 196 VAL CA C 64.41 0.10 1 906 196 196 VAL CB C 31.47 0.10 1 907 196 196 VAL N N 121.67 0.10 1 908 197 197 SER H H 7.573 0.010 1 909 197 197 SER C C 174.12 0.10 1 910 197 197 SER CA C 57.78 0.10 1 911 197 197 SER CB C 64.72 0.10 1 912 197 197 SER N N 112.28 0.10 1 913 198 198 ASP H H 8.934 0.010 1 914 198 198 ASP C C 177.81 0.10 1 915 198 198 ASP CA C 57.28 0.10 1 916 198 198 ASP CB C 40.91 0.10 1 917 198 198 ASP N N 122.41 0.10 1 918 199 199 ALA H H 8.282 0.010 1 919 199 199 ALA C C 181.22 0.10 1 920 199 199 ALA CA C 54.88 0.10 1 921 199 199 ALA CB C 17.59 0.10 1 922 199 199 ALA N N 121.39 0.10 1 923 200 200 VAL H H 7.796 0.010 1 924 200 200 VAL C C 179.34 0.10 1 925 200 200 VAL CA C 65.87 0.10 1 926 200 200 VAL CB C 30.68 0.10 1 927 200 200 VAL N N 120.72 0.10 1 928 201 201 ALA H H 7.921 0.010 1 929 201 201 ALA C C 177.80 0.10 1 930 201 201 ALA CA C 55.21 0.10 1 931 201 201 ALA CB C 18.14 0.10 1 932 201 201 ALA N N 125.75 0.10 1 933 202 202 GLN H H 8.008 0.010 1 934 202 202 GLN C C 178.32 0.10 1 935 202 202 GLN CA C 56.97 0.10 1 936 202 202 GLN CB C 27.96 0.10 1 937 202 202 GLN N N 111.25 0.10 1 938 203 203 SER H H 7.704 0.010 1 939 203 203 SER C C 174.87 0.10 1 940 203 203 SER CA C 58.75 0.10 1 941 203 203 SER CB C 65.10 0.10 1 942 203 203 SER N N 112.14 0.10 1 943 204 204 THR H H 7.326 0.010 1 944 204 204 THR C C 172.69 0.10 1 945 204 204 THR CA C 63.88 0.10 1 946 204 204 THR CB C 69.13 0.10 1 947 204 204 THR N N 122.03 0.10 1 948 205 205 ARG H H 9.338 0.010 1 949 205 205 ARG C C 174.35 0.10 1 950 205 205 ARG CA C 57.89 0.10 1 951 205 205 ARG CB C 27.65 0.10 1 952 205 205 ARG N N 128.75 0.10 1 953 206 206 ILE H H 9.979 0.010 1 954 206 206 ILE CA C 59.92 0.10 1 955 206 206 ILE CB C 37.36 0.10 1 956 206 206 ILE N N 124.91 0.10 1 957 208 208 TYR C C 176.48 0.10 1 958 208 208 TYR CA C 58.09 0.10 1 959 208 208 TYR CB C 39.04 0.10 1 960 209 209 GLY H H 9.336 0.010 1 961 209 209 GLY CA C 45.15 0.10 1 962 209 209 GLY N N 117.62 0.10 1 963 211 211 SER C C 174.73 0.10 1 964 211 211 SER CA C 58.97 0.10 1 965 211 211 SER CB C 62.18 0.10 1 966 212 212 VAL H H 7.884 0.010 1 967 212 212 VAL C C 173.65 0.10 1 968 212 212 VAL CA C 61.17 0.10 1 969 212 212 VAL CB C 33.28 0.10 1 970 212 212 VAL N N 131.52 0.10 1 971 213 213 THR H H 9.083 0.010 1 972 213 213 THR C C 175.21 0.10 1 973 213 213 THR CA C 58.24 0.10 1 974 213 213 THR CB C 72.66 0.10 1 975 213 213 THR N N 118.64 0.10 1 976 214 214 GLY H H 10.11 0.010 1 977 214 214 GLY C C 175.80 0.10 1 978 214 214 GLY CA C 46.42 0.10 1 979 214 214 GLY N N 109.19 0.10 1 980 215 215 GLY H H 8.083 0.010 1 981 215 215 GLY C C 174.90 0.10 1 982 215 215 GLY CA C 45.52 0.10 1 983 215 215 GLY N N 106.68 0.10 1 984 216 216 ASN H H 7.553 0.010 1 985 216 216 ASN C C 178.93 0.10 1 986 216 216 ASN CA C 51.57 0.10 1 987 216 216 ASN CB C 38.87 0.10 1 988 216 216 ASN N N 118.06 0.10 1 989 217 217 CYS H H 7.605 0.010 1 990 217 217 CYS C C 176.33 0.10 1 991 217 217 CYS CA C 60.41 0.10 1 992 217 217 CYS CB C 26.48 0.10 1 993 217 217 CYS N N 117.83 0.10 1 994 218 218 LYS H H 8.550 0.010 1 995 218 218 LYS C C 179.66 0.10 1 996 218 218 LYS CA C 60.91 0.10 1 997 218 218 LYS CB C 30.52 0.10 1 998 218 218 LYS N N 125.96 0.10 1 999 219 219 GLU H H 8.478 0.010 1 1000 219 219 GLU C C 180.77 0.10 1 1001 219 219 GLU CA C 58.82 0.10 1 1002 219 219 GLU CB C 28.58 0.10 1 1003 219 219 GLU N N 121.20 0.10 1 1004 220 220 LEU H H 7.629 0.010 1 1005 220 220 LEU C C 177.71 0.10 1 1006 220 220 LEU CA C 58.29 0.10 1 1007 220 220 LEU CB C 43.48 0.10 1 1008 220 220 LEU N N 120.64 0.10 1 1009 221 221 ALA H H 8.484 0.010 1 1010 221 221 ALA C C 176.88 0.10 1 1011 221 221 ALA CA C 53.30 0.10 1 1012 221 221 ALA CB C 18.56 0.10 1 1013 221 221 ALA N N 117.87 0.10 1 1014 222 222 SER H H 7.308 0.010 1 1015 222 222 SER C C 175.09 0.10 1 1016 222 222 SER CA C 58.63 0.10 1 1017 222 222 SER CB C 63.37 0.10 1 1018 222 222 SER N N 110.48 0.10 1 1019 223 223 GLN H H 7.408 0.010 1 1020 223 223 GLN C C 177.55 0.10 1 1021 223 223 GLN CA C 54.46 0.10 1 1022 223 223 GLN CB C 26.38 0.10 1 1023 223 223 GLN N N 121.93 0.10 1 1024 224 224 HIS H H 8.634 0.010 1 1025 224 224 HIS C C 176.41 0.10 1 1026 224 224 HIS CA C 58.79 0.10 1 1027 224 224 HIS CB C 29.10 0.10 1 1028 224 224 HIS N N 121.48 0.10 1 1029 225 225 ASP H H 10.16 0.010 1 1030 225 225 ASP C C 174.38 0.10 1 1031 225 225 ASP CA C 54.40 0.10 1 1032 225 225 ASP CB C 41.37 0.10 1 1033 225 225 ASP N N 116.27 0.10 1 1034 226 226 VAL H H 7.049 0.010 1 1035 226 226 VAL C C 174.72 0.10 1 1036 226 226 VAL CA C 62.39 0.10 1 1037 226 226 VAL CB C 31.27 0.10 1 1038 226 226 VAL N N 120.63 0.10 1 1039 227 227 ASP H H 8.502 0.010 1 1040 227 227 ASP C C 172.07 0.10 1 1041 227 227 ASP CA C 54.10 0.10 1 1042 227 227 ASP CB C 41.69 0.10 1 1043 227 227 ASP N N 124.84 0.10 1 1044 228 228 GLY H H 6.939 0.010 1 1045 228 228 GLY C C 173.59 0.10 1 1046 228 228 GLY CA C 42.71 0.10 1 1047 228 228 GLY N N 103.64 0.10 1 1048 229 229 PHE H H 8.283 0.010 1 1049 229 229 PHE C C 173.94 0.10 1 1050 229 229 PHE CA C 54.77 0.10 1 1051 229 229 PHE CB C 46.31 0.10 1 1052 229 229 PHE N N 114.38 0.10 1 1053 230 230 LEU H H 8.484 0.010 1 1054 230 230 LEU C C 174.72 0.10 1 1055 230 230 LEU CA C 53.45 0.10 1 1056 230 230 LEU CB C 41.24 0.10 1 1057 230 230 LEU N N 125.16 0.10 1 1058 231 231 VAL H H 9.311 0.010 1 1059 231 231 VAL C C 175.05 0.10 1 1060 231 231 VAL CA C 62.47 0.10 1 1061 231 231 VAL CB C 33.31 0.10 1 1062 231 231 VAL N N 126.42 0.10 1 1063 232 232 GLY H H 8.606 0.010 1 1064 232 232 GLY CA C 43.77 0.10 1 1065 232 232 GLY N N 116.42 0.10 1 1066 233 233 GLY C C 175.75 0.10 1 1067 233 233 GLY CA C 44.96 0.10 1 1068 234 234 ALA H H 8.698 0.010 1 1069 234 234 ALA C C 177.57 0.10 1 1070 234 234 ALA CA C 54.16 0.10 1 1071 234 234 ALA CB C 17.91 0.10 1 1072 234 234 ALA N N 122.64 0.10 1 1073 235 235 SER H H 8.427 0.010 1 1074 235 235 SER C C 173.63 0.10 1 1075 235 235 SER CA C 59.97 0.10 1 1076 235 235 SER CB C 63.38 0.10 1 1077 235 235 SER N N 112.79 0.10 1 1078 236 236 LEU H H 6.809 0.010 1 1079 236 236 LEU C C 175.90 0.10 1 1080 236 236 LEU CA C 53.94 0.10 1 1081 236 236 LEU CB C 41.85 0.10 1 1082 236 236 LEU N N 119.71 0.10 1 1083 237 237 LYS H H 7.347 0.010 1 1084 237 237 LYS C C 174.88 0.10 1 1085 237 237 LYS CA C 53.29 0.10 1 1086 237 237 LYS CB C 33.74 0.10 1 1087 237 237 LYS N N 119.69 0.10 1 1088 238 238 PRO C C 178.26 0.10 1 1089 238 238 PRO CA C 65.18 0.10 1 1090 238 238 PRO CB C 30.61 0.10 1 1091 239 239 GLU H H 7.789 0.010 1 1092 239 239 GLU C C 176.07 0.10 1 1093 239 239 GLU CA C 57.46 0.10 1 1094 239 239 GLU CB C 29.52 0.10 1 1095 239 239 GLU N N 116.08 0.10 1 1096 240 240 PHE H H 8.415 0.010 1 1097 240 240 PHE C C 177.34 0.10 1 1098 240 240 PHE CA C 59.00 0.10 1 1099 240 240 PHE CB C 39.05 0.10 1 1100 240 240 PHE N N 122.31 0.10 1 1101 241 241 VAL H H 7.673 0.010 1 1102 241 241 VAL C C 176.33 0.10 1 1103 241 241 VAL CA C 66.14 0.10 1 1104 241 241 VAL CB C 31.67 0.10 1 1105 241 241 VAL N N 115.46 0.10 1 1106 242 242 ASP H H 6.843 0.010 1 1107 242 242 ASP C C 178.43 0.10 1 1108 242 242 ASP CA C 56.86 0.10 1 1109 242 242 ASP CB C 39.48 0.10 1 1110 242 242 ASP N N 118.14 0.10 1 1111 243 243 ILE H H 7.407 0.010 1 1112 243 243 ILE C C 178.22 0.10 1 1113 243 243 ILE CA C 64.56 0.10 1 1114 243 243 ILE CB C 37.69 0.10 1 1115 243 243 ILE N N 120.88 0.10 1 1116 244 244 ILE H H 7.821 0.010 1 1117 244 244 ILE C C 176.88 0.10 1 1118 244 244 ILE CA C 65.29 0.10 1 1119 244 244 ILE CB C 36.78 0.10 1 1120 244 244 ILE N N 121.02 0.10 1 1121 245 245 ASN H H 7.241 0.010 1 1122 245 245 ASN C C 176.55 0.10 1 1123 245 245 ASN CA C 52.41 0.10 1 1124 245 245 ASN CB C 37.63 0.10 1 1125 245 245 ASN N N 116.98 0.10 1 1126 246 246 ALA H H 7.374 0.010 1 1127 246 246 ALA C C 178.12 0.10 1 1128 246 246 ALA CA C 55.26 0.10 1 1129 246 246 ALA CB C 20.31 0.10 1 1130 246 246 ALA N N 121.73 0.10 1 1131 247 247 LYS H H 8.547 0.010 1 1132 247 247 LYS C C 175.80 0.10 1 1133 247 247 LYS CA C 55.28 0.10 1 1134 247 247 LYS CB C 30.17 0.10 1 1135 247 247 LYS N N 115.53 0.10 1 1136 248 248 HIS H H 7.693 0.010 1 1137 248 248 HIS C C 179.19 0.10 1 1138 248 248 HIS CA C 56.67 0.10 1 1139 248 248 HIS CB C 30.16 0.10 1 1140 248 248 HIS N N 125.06 0.10 1 stop_ save_ save_15N_T1_600MHz _Saveframe_category T1_relaxation _Details . loop_ _Sample_label $2H_15N_sample stop_ _Sample_conditions_label $standard_conditions _Spectrometer_frequency_1H 600 _T1_coherence_type Nz _T1_value_units s _Mol_system_component_name 'WT TIM chain 1' _Text_data_format . _Text_data . loop_ _T1_ID _Residue_seq_code _Residue_label _Atom_name _T1_value _T1_value_error 1 4 ARG N 1.762 0.0310 2 5 LYS N 2.404 0.0330 3 6 PHE N 2.566 0.0400 4 9 GLY N 2.039 0.188 5 10 GLY N 1.962 0.222 6 11 ASN N 2.812 0.155 7 13 LYS N 2.396 0.0480 8 14 MET N 2.664 0.0900 9 15 ASN N 2.532 0.0590 10 16 GLY N 2.620 0.0590 11 17 ASP N 2.839 0.0870 12 18 LYS N 3.001 0.0680 13 19 LYS N 2.813 0.0660 14 20 SER N 2.787 0.0870 15 21 LEU N 2.930 0.179 16 22 GLY N 2.834 0.114 17 23 GLU N 2.810 0.0560 18 24 LEU N 3.022 0.0660 19 26 HIS N 2.710 0.0700 20 27 THR N 2.911 0.0390 21 29 ASN N 2.924 0.0700 22 30 GLY N 2.607 0.0400 23 31 ALA N 2.869 0.0420 24 32 LYS N 2.368 0.0670 25 33 LEU N 2.487 0.0260 26 34 SER N 2.278 0.0330 27 35 ALA N 2.260 0.0730 28 36 ASP N 1.997 0.0200 29 37 THR N 2.146 0.0340 30 38 GLU N 2.431 0.0540 31 39 VAL N 2.506 0.0400 32 40 VAL N 1.729 0.177 33 42 GLY N 2.164 0.320 34 46 ILE N 2.291 0.0410 35 48 LEU N 2.839 0.156 36 49 ASP N 2.736 0.0680 37 50 PHE N 2.838 0.0440 38 53 GLN N 2.615 0.0550 39 54 LYS N 2.602 0.0320 40 56 ASP N 2.441 0.0750 41 57 ALA N 2.387 0.0350 42 58 LYS N 2.268 0.0550 43 59 ILE N 2.574 0.0240 44 60 GLY N 2.894 0.0540 45 61 VAL N 2.448 0.0580 46 63 ALA N 1.684 0.0790 47 64 GLN N 3.087 0.109 48 65 ASN N 2.485 0.0260 49 66 CYS N 2.680 0.0770 50 67 TYR N 2.791 0.198 51 71 LYS N 2.445 0.0270 52 72 GLY N 2.496 0.0600 53 73 ALA N 2.392 0.0520 54 74 PHE N 2.704 0.0500 55 75 THR N 2.607 0.129 56 76 GLY N 2.559 0.0500 57 77 GLU N 2.692 0.0550 58 78 ILE N 2.812 0.0520 59 79 SER N 2.597 0.0660 60 81 ALA N 2.452 0.0450 61 82 MET N 2.355 0.0890 62 85 ASP N 2.572 0.0320 63 87 GLY N 2.387 0.0820 64 88 ALA N 3.026 0.0480 65 89 ALA N 2.560 0.143 66 90 TRP N 2.426 0.0510 67 94 GLY N 3.125 0.170 68 95 HIS N 2.577 0.114 69 97 GLU N 2.140 0.290 70 98 ARG N 3.039 0.176 71 100 HIS N 2.609 0.124 72 101 VAL N 2.417 0.103 73 102 PHE N 3.107 0.178 74 103 GLY N 2.726 0.0720 75 104 GLU N 2.380 0.0350 76 105 SER N 3.045 0.0300 77 106 ASP N 2.489 0.0350 78 107 GLU N 2.291 0.0540 79 108 LEU N 2.457 0.0310 80 109 ILE N 2.360 0.0670 81 110 GLY N 2.637 0.0690 82 111 GLN N 2.477 0.0740 83 113 VAL N 2.212 0.181 84 115 HIS N 2.564 0.0750 85 116 ALA N 2.264 0.124 86 118 ALA N 2.346 0.0430 87 119 GLU N 2.604 0.0550 88 120 GLY N 2.530 0.0500 89 121 LEU N 2.453 0.0290 90 122 GLY N 2.400 0.0380 91 128 GLY N 2.617 0.228 92 129 GLU N 2.686 0.111 93 130 LYS N 2.391 0.0810 94 131 LEU N 2.615 0.102 95 132 ASP N 2.615 0.0690 96 133 GLU N 2.655 0.102 97 135 GLU N 2.703 0.0570 98 136 ALA N 2.580 0.0450 99 137 GLY N 2.400 0.0420 100 138 ILE N 2.540 0.0890 101 139 THR N 2.458 0.0680 102 140 GLU N 2.433 0.0840 103 141 LYS N 2.546 0.0840 104 142 VAL N 2.533 0.101 105 143 VAL N 2.525 0.0970 106 144 PHE N 2.392 0.0840 107 145 GLU N 2.346 0.0750 108 146 GLN N 2.358 0.106 109 147 THR N 2.904 0.104 110 148 LYS N 2.224 0.0670 111 149 ALA N 2.437 0.0810 112 150 ILE N 2.993 0.685 113 152 ASP N 2.368 0.0390 114 153 ASN N 2.486 0.0470 115 154 VAL N 2.610 0.0500 116 156 ASP N 2.681 0.115 117 157 TRP N 2.346 0.0440 118 158 SER N 2.238 0.0380 119 159 LYS N 1.860 0.0410 120 160 VAL N 2.903 0.113 121 161 VAL N 2.476 0.0300 122 167 VAL N 2.493 0.263 123 168 TRP N 3.037 0.299 124 169 ALA N 2.179 0.0540 125 170 ILE N 2.538 0.0870 126 172 THR N 1.977 0.142 127 173 GLY N 1.938 0.175 128 174 LYS N 2.387 0.0840 129 175 THR N 1.666 0.0860 130 176 ALA N 2.063 0.0350 131 177 THR N 2.575 0.0680 132 179 GLN N 2.245 0.0380 133 180 GLN N 2.299 0.0690 134 181 ALA N 2.208 0.151 135 182 GLN N 2.379 0.0770 136 183 GLU N 2.197 0.0960 137 184 VAL N 2.483 0.0380 138 185 HIS N 2.515 0.193 139 186 GLU N 2.680 0.171 140 187 LYS N 2.217 0.0800 141 190 GLY N 2.385 0.0450 142 194 SER N 2.302 0.0550 143 195 HIS N 2.547 0.0440 144 196 VAL N 2.784 0.0340 145 197 SER N 2.624 0.0400 146 198 ASP N 2.339 0.0890 147 199 ALA N 2.368 0.0550 148 200 VAL N 2.439 0.0740 149 201 ALA N 2.477 0.0560 150 202 GLN N 2.392 0.0430 151 203 SER N 2.329 0.101 152 204 THR N 2.620 0.0900 153 205 ARG N 3.091 0.220 154 212 VAL N 2.403 0.296 155 213 THR N 3.017 0.0770 156 214 GLY N 2.756 0.0630 157 215 GLY N 3.018 0.205 158 216 ASN N 2.903 0.0970 159 217 CYS N 2.541 0.167 160 218 LYS N 2.391 0.0150 161 219 GLU N 2.312 0.0630 162 220 LEU N 2.577 0.133 163 221 ALA N 2.409 0.0530 164 222 SER N 2.573 0.0540 165 223 GLN N 2.656 0.0660 166 224 HIS N 2.458 0.0470 167 225 ASP N 2.494 0.128 168 226 VAL N 3.099 0.0740 169 227 ASP N 2.833 0.136 170 235 SER N 2.292 0.0990 171 236 LEU N 2.306 0.0630 172 237 LYS N 2.485 0.0720 173 239 GLU N 2.317 0.0710 174 240 PHE N 2.665 0.0630 175 241 VAL N 2.455 0.0650 176 242 ASP N 2.681 0.114 177 243 ILE N 2.583 0.200 178 245 ASN N 2.645 0.0490 179 246 ALA N 2.863 0.0510 180 247 LYS N 2.564 0.0380 181 248 HIS N 1.339 0.00700 stop_ save_ save_15N_T1_800MHz _Saveframe_category T1_relaxation _Details . loop_ _Sample_label $2H_15N_sample stop_ _Sample_conditions_label $standard_conditions _Spectrometer_frequency_1H 800 _T1_coherence_type Nz _T1_value_units s _Mol_system_component_name 'WT TIM chain 1' _Text_data_format . _Text_data . loop_ _T1_ID _Residue_seq_code _Residue_label _Atom_name _T1_value _T1_value_error 1 4 ARG N 2.181 0 2 5 LYS N 3.440 0 3 6 PHE N 3.430 0.0130 4 9 GLY N 3.178 0.372 5 10 GLY N 2.542 0.188 6 11 ASN N 4.053 0 7 13 LYS N 3.481 0 8 14 MET N 3.790 0.00200 9 15 ASN N 3.704 0 10 16 GLY N 3.860 0 11 17 ASP N 4.183 0 12 18 LYS N 4.529 0.0400 13 19 LYS N 4.059 0 14 20 SER N 4.056 0.00100 15 21 LEU N 4.209 0.00300 16 22 GLY N 4.106 0 17 23 GLU N 3.884 0 18 24 LEU N 4.111 0 19 26 HIS N 4.039 0 20 27 THR N 4.195 0 21 29 ASN N 4.304 0 22 30 GLY N 3.638 0 23 31 ALA N 3.703 0 24 32 LYS N 3.136 0 25 33 LEU N 3.253 0 26 34 SER N 3.080 0 27 35 ALA N 2.967 0 28 36 ASP N 2.650 0 29 37 THR N 3.089 0 30 38 GLU N 3.580 0.0370 31 39 VAL N 3.759 0 32 40 VAL N 2.665 0.0170 33 42 GLY N 3.041 0.345 34 46 ILE N 3.017 0 35 48 LEU N 3.903 0.0150 36 49 ASP N 4.027 0.00100 37 50 PHE N 4.283 0 38 53 GLN N 3.952 0 39 54 LYS N 3.521 0 40 56 ASP N 3.656 0 41 57 ALA N 3.579 0 42 58 LYS N 3.177 0.0260 43 59 ILE N 3.512 0 44 60 GLY N 3.943 0.0640 45 61 VAL N 3.623 0 46 63 ALA N 2.943 0.167 47 64 GLN N 4.609 0.00200 48 65 ASN N 3.688 0 49 66 CYS N 3.835 0 50 67 TYR N 3.771 0.102 51 71 LYS N 3.680 0 52 72 GLY N 3.428 0.0340 53 73 ALA N 3.419 0 54 74 PHE N 4.051 0.00100 55 75 THR N 4.141 0.00500 56 76 GLY N 3.669 0.00100 57 77 GLU N 3.675 0.00100 58 78 ILE N 3.986 0 59 79 SER N 3.715 0.157 60 81 ALA N 3.699 0.115 61 82 MET N 2.869 0.00100 62 85 ASP N 3.252 0 63 87 GLY N 3.439 0.0300 64 88 ALA N 3.842 0 65 89 ALA N 3.737 0 66 90 TRP N 3.646 0.00200 67 94 GLY N 4.740 0.00500 68 95 HIS N 3.609 0.00300 69 97 GLU N 3.876 1.02 70 98 ARG N 3.778 0.0110 71 100 HIS N 3.819 0.00300 72 101 VAL N 3.702 0.00200 73 102 PHE N 4.141 0.00300 74 103 GLY N 3.863 0 75 104 GLU N 3.343 0 76 105 SER N 4.299 0 77 106 ASP N 3.382 0 78 107 GLU N 3.299 0 79 108 LEU N 3.523 0 80 109 ILE N 3.609 0.00100 81 110 GLY N 3.372 0.0500 82 111 GLN N 3.370 0.0550 83 113 VAL N 3.267 0.0930 84 115 HIS N 3.601 0 85 116 ALA N 3.409 0 86 118 ALA N 3.449 0 87 119 GLU N 3.422 0 88 120 GLY N 3.243 0 89 121 LEU N 3.509 0 90 122 GLY N 3.788 0 91 128 GLY N 3.965 0.270 92 129 GLU N 4.180 0.00100 93 130 LYS N 3.441 0.0430 94 131 LEU N 4.138 0.0110 95 132 ASP N 3.610 0.00100 96 133 GLU N 3.718 0.00100 97 135 GLU N 4.047 0.00100 98 136 ALA N 3.763 0.0550 99 137 GLY N 3.788 0 100 138 ILE N 3.868 0.00100 101 139 THR N 3.363 0 102 140 GLU N 3.628 0 103 141 LYS N 3.632 0 104 142 VAL N 3.649 0 105 143 VAL N 3.548 0.0360 106 144 PHE N 3.407 0.00100 107 145 GLU N 3.341 0 108 146 GLN N 3.506 0.00100 109 147 THR N 4.448 0.00400 110 148 LYS N 3.236 0.00100 111 149 ALA N 3.505 0.115 112 150 ILE N 3.315 0.0390 113 152 ASP N 3.513 0 114 153 ASN N 3.701 0.00100 115 154 VAL N 3.936 0 116 156 ASP N 3.382 0 117 157 TRP N 3.283 0 118 158 SER N 3.075 0.00100 119 159 LYS N 2.551 0 120 160 VAL N 4.288 0.00500 121 161 VAL N 3.596 0.0400 122 167 VAL N 3.547 0.201 123 168 TRP N 3.162 0.228 124 169 ALA N 3.108 0.00200 125 170 ILE N 3.782 0 126 172 THR N 2.619 0.0400 127 173 GLY N 2.447 0.197 128 174 LYS N 2.821 0.00500 129 175 THR N 2.210 0.00700 130 176 ALA N 2.794 0 131 177 THR N 3.536 0.00300 132 179 GLN N 3.468 0.00100 133 180 GLN N 3.282 0.00100 134 181 ALA N 2.797 0.126 135 182 GLN N 3.578 0.00100 136 183 GLU N 3.047 0.0190 137 184 VAL N 3.464 0 138 185 HIS N 3.372 0.0110 139 186 GLU N 4.518 0.00500 140 187 LYS N 3.003 0 141 190 GLY N 3.414 0 142 194 SER N 3.355 0 143 195 HIS N 3.682 0.00100 144 196 VAL N 3.897 0.00100 145 197 SER N 3.810 0 146 198 ASP N 3.218 0.00100 147 199 ALA N 3.319 0 148 200 VAL N 3.650 0.00100 149 201 ALA N 3.487 0 150 202 GLN N 3.378 0.00100 151 203 SER N 3.240 0.0400 152 204 THR N 3.485 0.00200 153 205 ARG N 3.935 0.00600 154 212 VAL N 3.020 0.0820 155 213 THR N 3.897 0.0560 156 214 GLY N 3.983 0.00100 157 215 GLY N 4.055 0.00300 158 216 ASN N 4.003 0.00700 159 217 CYS N 3.446 0.0890 160 218 LYS N 3.386 0 161 219 GLU N 3.472 0.00100 162 220 LEU N 3.548 0.181 163 221 ALA N 3.682 0.00100 164 222 SER N 3.669 0.00100 165 223 GLN N 3.782 0 166 224 HIS N 3.248 0.0280 167 225 ASP N 3.911 0.00800 168 226 VAL N 4.705 0 169 227 ASP N 3.896 0.00400 170 235 SER N 3.204 0.168 171 236 LEU N 3.436 0.00200 172 237 LYS N 3.665 0 173 239 GLU N 3.319 0 174 240 PHE N 3.724 0.0770 175 241 VAL N 3.401 0.00100 176 242 ASP N 3.892 0 177 243 ILE N 3.626 0.263 178 245 ASN N 3.831 0 179 246 ALA N 3.603 0 180 247 LYS N 3.546 0 181 248 HIS N 1.571 0 stop_ save_ save_15N_T2_600MHz _Saveframe_category T2_relaxation _Details . loop_ _Sample_label $2H_15N_sample stop_ _Sample_conditions_label $standard_conditions _Spectrometer_frequency_1H 600 _T2_coherence_type Nx _T2_value_units s _Mol_system_component_name 'WT TIM chain 1' _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 4 ARG N 0.03877 0 . . 2 5 LYS N 0.02664 0.00047 . . 3 6 PHE N 0.02234 0 . . 4 9 GLY N 0.02269 0.00014 . . 5 10 GLY N 0.02462 0.00011 . . 6 11 ASN N 0.02374 0 . . 7 13 LYS N 0.02382 0 . . 8 14 MET N 0.02413 0.00052 . . 9 15 ASN N 0.02698 0 . . 10 16 GLY N 0.02810 0 . . 11 17 ASP N 0.02152 0.00023 . . 12 18 LYS N 0.02053 0 . . 13 19 LYS N 0.02250 0 . . 14 20 SER N 0.02217 0 . . 15 21 LEU N 0.01988 0.000020 . . 16 22 GLY N 0.02117 0 . . 17 23 GLU N 0.02208 0 . . 18 24 LEU N 0.02066 0 . . 19 26 HIS N 0.02114 0 . . 20 27 THR N 0.02220 0 . . 21 29 ASN N 0.02280 0.00044 . . 22 30 GLY N 0.02509 0 . . 23 31 ALA N 0.02323 0 . . 24 32 LYS N 0.02940 0 . . 25 33 LEU N 0.03243 0.00041 . . 26 34 SER N 0.02972 0 . . 27 35 ALA N 0.02473 0 . . 28 36 ASP N 0.03059 0.00034 . . 29 37 THR N 0.02820 0 . . 30 38 GLU N 0.02294 0 . . 31 39 VAL N 0.02750 0.00033 . . 32 40 VAL N 0.03972 0.0021 . . 33 42 GLY N 0.02272 0.00010 . . 34 46 ILE N 0.02440 0 . . 35 48 LEU N 0.02470 0.00010 . . 36 49 ASP N 0.02195 0 . . 37 50 PHE N 0.02302 0 . . 38 53 GLN N 0.02228 0 . . 39 54 LYS N 0.02538 0 . . 40 56 ASP N 0.02514 0 . . 41 57 ALA N 0.02761 0 . . 42 58 LYS N 0.02576 0 . . 43 59 ILE N 0.02482 0.00068 . . 44 60 GLY N 0.02271 0 . . 45 61 VAL N 0.02509 0 . . 46 63 ALA N 0.03116 0.000030 . . 47 64 GLN N 0.02306 0 . . 48 65 ASN N 0.02536 0 . . 49 66 CYS N 0.02551 0 . . 50 67 TYR N 0.02707 0.000020 . . 51 71 LYS N 0.02558 0 . . 52 72 GLY N 0.02603 0.00071 . . 53 73 ALA N 0.03123 0.00063 . . 54 74 PHE N 0.02667 0.00048 . . 55 75 THR N 0.02395 0.00058 . . 56 76 GLY N 0.02492 0.00034 . . 57 77 GLU N 0.01997 0 . . 58 78 ILE N 0.02542 0.00036 . . 59 79 SER N 0.01985 0.00062 . . 60 81 ALA N 0.02338 0.00064 . . 61 82 MET N 0.02641 0.0027 . . 62 85 ASP N 0.02433 0.00059 . . 63 87 GLY N 0.02411 0 . . 64 88 ALA N 0.02220 0.00018 . . 65 89 ALA N 0.02634 0 . . 66 90 TRP N 0.02287 0.000010 . . 67 94 GLY N 0.02056 0.000010 . . 68 95 HIS N 0.02097 0.000010 . . 69 97 GLU N 0.01705 0.00020 . . 70 98 ARG N 0.01954 0.000030 . . 71 100 HIS N 0.02398 0.00045 . . 72 101 VAL N 0.02440 0.000010 . . 73 102 PHE N 0.02268 0.000010 . . 74 103 GLY N 0.02572 0 . . 75 104 GLU N 0.02505 0 . . 76 105 SER N 0.02255 0 . . 77 106 ASP N 0.02612 0 . . 78 107 GLU N 0.02583 0 . . 79 108 LEU N 0.02438 0.00042 . . 80 109 ILE N 0.02398 0 . . 81 110 GLY N 0.02414 0.00035 . . 82 111 GLN N 0.02341 0 . . 83 113 VAL N 0.03107 0.0041 . . 84 115 HIS N 0.02476 0.00016 . . 85 116 ALA N 0.02187 0.0022 . . 86 118 ALA N 0.02476 0 . . 87 119 GLU N 0.02831 0.00041 . . 88 120 GLY N 0.02570 0.00036 . . 89 121 LEU N 0.02321 0 . . 90 122 GLY N 0.02494 0 . . 91 128 GLY N 0.02620 0.0026 . . 92 129 GLU N 0.02020 0 . . 93 130 LYS N 0.02475 0 . . 94 131 LEU N 0.02293 0.00035 . . 95 132 ASP N 0.02283 0.00072 . . 96 133 GLU N 0.02554 0 . . 97 135 GLU N 0.02050 0 . . 98 136 ALA N 0.02362 0 . . 99 137 GLY N 0.02494 0 . . 100 138 ILE N 0.02455 0 . . 101 139 THR N 0.02507 0.00066 . . 102 140 GLU N 0.02391 0 . . 103 141 LYS N 0.02580 0 . . 104 142 VAL N 0.02268 0.00061 . . 105 143 VAL N 0.02301 0 . . 106 144 PHE N 0.02369 0.00093 . . 107 145 GLU N 0.02411 0 . . 108 146 GLN N 0.02417 0.00090 . . 109 147 THR N 0.02478 0.000010 . . 110 148 LYS N 0.02726 0 . . 111 149 ALA N 0.02386 0.000010 . . 112 150 ILE N 0.02101 0.00016 . . 113 152 ASP N 0.02578 0 . . 114 153 ASN N 0.02457 0 . . 115 154 VAL N 0.02448 0 . . 116 156 ASP N 0.02877 0 . . 117 157 TRP N 0.02763 0 . . 118 158 SER N 0.02692 0 . . 119 159 LYS N 0.02917 0 . . 120 160 VAL N 0.02309 0.0010 . . 121 161 VAL N 0.02796 0.00058 . . 122 167 VAL N 0.01405 0.000030 . . 123 168 TRP N 0.02049 0.00082 . . 124 169 ALA N 0.02391 0.000010 . . 125 170 ILE N 0.02409 0.000010 . . 126 172 THR N 0.02676 0.00011 . . 127 173 GLY N 0.03207 0.0022 . . 128 174 LYS N 0.01627 0.00026 . . 129 175 THR N 0.03397 0.000040 . . 130 176 ALA N 0.02264 0.00028 . . 131 177 THR N 0.02106 0 . . 132 179 GLN N 0.02597 0 . . 133 180 GLN N 0.02652 0 . . 134 181 ALA N 0.02255 0.00088 . . 135 182 GLN N 0.02457 0 . . 136 183 GLU N 0.02687 0.0011 . . 137 184 VAL N 0.02471 0 . . 138 185 HIS N 0.02414 0.000060 . . 139 186 GLU N 0.01892 0.0011 . . 140 187 LYS N 0.02443 0 . . 141 190 GLY N 0.02386 0 . . 142 194 SER N 0.02808 0.00037 . . 143 195 HIS N 0.02692 0 . . 144 196 VAL N 0.02425 0.00054 . . 145 197 SER N 0.02899 0.00046 . . 146 198 ASP N 0.02470 0.000010 . . 147 199 ALA N 0.02579 0 . . 148 200 VAL N 0.02498 0 . . 149 201 ALA N 0.02440 0.00052 . . 150 202 GLN N 0.02658 0 . . 151 203 SER N 0.02616 0.000010 . . 152 204 THR N 0.02206 0.000010 . . 153 205 ARG N 0.02306 0.000020 . . 154 212 VAL N 0.006670 0.00051 . . 155 213 THR N 0.02258 0 . . 156 214 GLY N 0.02154 0 . . 157 215 GLY N 0.02211 0.000010 . . 158 216 ASN N 0.02295 0.000030 . . 159 217 CYS N 0.02269 0.000030 . . 160 218 LYS N 0.02587 0 . . 161 219 GLU N 0.02393 0.00034 . . 162 220 LEU N 0.02361 0.00068 . . 163 221 ALA N 0.02599 0 . . 164 222 SER N 0.02797 0.00043 . . 165 223 GLN N 0.02182 0 . . 166 224 HIS N 0.02528 0.00031 . . 167 225 ASP N 0.02621 0.0010 . . 168 226 VAL N 0.02039 0 . . 169 227 ASP N 0.02175 0.000020 . . 170 235 SER N 0.02663 0.000030 . . 171 236 LEU N 0.02326 0 . . 172 237 LYS N 0.02338 0 . . 173 239 GLU N 0.02251 0 . . 174 240 PHE N 0.02112 0.00060 . . 175 241 VAL N 0.02332 0 . . 176 242 ASP N 0.02373 0.00086 . . 177 243 ILE N 0.02417 0.000050 . . 178 245 ASN N 0.02429 0 . . 179 246 ALA N 0.02061 0 . . 180 247 LYS N 0.02475 0 . . 181 248 HIS N 0.03486 0 . . stop_ save_ save_15N_T2_800MHz _Saveframe_category T2_relaxation _Details . loop_ _Sample_label $2H_15N_sample stop_ _Sample_conditions_label $standard_conditions _Spectrometer_frequency_1H 800 _T2_coherence_type Nz _T2_value_units s _Mol_system_component_name 'WT TIM chain 1' _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 4 ARG N 0.03141 0 . . 2 5 LYS N 0.02195 0 . . 3 6 PHE N 0.01908 0 . . 4 9 GLY N 0.01894 0.00010 . . 5 10 GLY N 0.01819 0.00017 . . 6 11 ASN N 0.01948 0 . . 7 13 LYS N 0.01850 0 . . 8 14 MET N 0.01974 0 . . 9 15 ASN N 0.02163 0 . . 10 16 GLY N 0.02572 0 . . 11 17 ASP N 0.01813 0 . . 12 18 LYS N 0.01691 0 . . 13 19 LYS N 0.01832 0 . . 14 20 SER N 0.01657 0 . . 15 21 LEU N 0.01594 0 . . 16 22 GLY N 0.01724 0 . . 17 23 GLU N 0.01737 0 . . 18 24 LEU N 0.01653 0 . . 19 26 HIS N 0.01731 0 . . 20 27 THR N 0.01657 0 . . 21 29 ASN N 0.01772 0 . . 22 30 GLY N 0.02005 0 . . 23 31 ALA N 0.01804 0 . . 24 32 LYS N 0.02467 0 . . 25 33 LEU N 0.02540 0 . . 26 34 SER N 0.02398 0 . . 27 35 ALA N 0.02025 0 . . 28 36 ASP N 0.02267 0 . . 29 37 THR N 0.02268 0 . . 30 38 GLU N 0.01978 0 . . 31 39 VAL N 0.02229 0 . . 32 40 VAL N 0.02954 0.00011 . . 33 42 GLY N 0.01981 0.00020 . . 34 46 ILE N 0.01958 0 . . 35 48 LEU N 0.01842 0.000020 . . 36 49 ASP N 0.01785 0 . . 37 50 PHE N 0.01916 0 . . 38 53 GLN N 0.01811 0 . . 39 54 LYS N 0.01940 0 . . 40 56 ASP N 0.02132 0 . . 41 57 ALA N 0.02245 0 . . 42 58 LYS N 0.02163 0 . . 43 59 ILE N 0.01997 0 . . 44 60 GLY N 0.01694 0 . . 45 61 VAL N 0.02061 0 . . 46 63 ALA N 0.02671 0.000020 . . 47 64 GLN N 0.01930 0 . . 48 65 ASN N 0.01961 0 . . 49 66 CYS N 0.02002 0 . . 50 67 TYR N 0.01807 0.000010 . . 51 71 LYS N 0.01896 0 . . 52 72 GLY N 0.02074 0 . . 53 73 ALA N 0.02127 0 . . 54 74 PHE N 0.02272 0 . . 55 75 THR N 0.01807 0.000010 . . 56 76 GLY N 0.02008 0 . . 57 77 GLU N 0.01660 0 . . 58 78 ILE N 0.01969 0 . . 59 79 SER N 0.01316 0.000010 . . 60 81 ALA N 0.01967 0 . . 61 82 MET N 0.01933 0 . . 62 85 ASP N 0.01902 0 . . 63 87 GLY N 0.01759 0 . . 64 88 ALA N 0.01625 0 . . 65 89 ALA N 0.02145 0 . . 66 90 TRP N 0.01717 0 . . 67 94 GLY N 0.01493 0 . . 68 95 HIS N 0.01646 0 . . 69 97 GLU N 0.01151 0.00025 . . 70 98 ARG N 0.01520 0.000010 . . 71 100 HIS N 0.01940 0 . . 72 101 VAL N 0.01927 0 . . 73 102 PHE N 0.01754 0 . . 74 103 GLY N 0.01979 0 . . 75 104 GLU N 0.02081 0 . . 76 105 SER N 0.01788 0 . . 77 106 ASP N 0.02095 0 . . 78 107 GLU N 0.02121 0 . . 79 108 LEU N 0.01959 0 . . 80 109 ILE N 0.01919 0 . . 81 110 GLY N 0.01686 0 . . 82 111 GLN N 0.01908 0 . . 83 113 VAL N 0.01870 0.000010 . . 84 115 HIS N 0.01906 0 . . 85 116 ALA N 0.02009 0 . . 86 118 ALA N 0.02039 0 . . 87 119 GLU N 0.02222 0 . . 88 120 GLY N 0.02060 0 . . 89 121 LEU N 0.01854 0 . . 90 122 GLY N 0.01810 0 . . 91 128 GLY N 0.01644 0.000030 . . 92 129 GLU N 0.01611 0 . . 93 130 LYS N 0.02048 0 . . 94 131 LEU N 0.01773 0.000020 . . 95 132 ASP N 0.01723 0 . . 96 133 GLU N 0.02113 0 . . 97 135 GLU N 0.01667 0 . . 98 136 ALA N 0.01940 0 . . 99 137 GLY N 0.01810 0 . . 100 138 ILE N 0.01880 0 . . 101 139 THR N 0.02014 0 . . 102 140 GLU N 0.01958 0 . . 103 141 LYS N 0.02106 0 . . 104 142 VAL N 0.01832 0 . . 105 143 VAL N 0.01698 0 . . 106 144 PHE N 0.01866 0 . . 107 145 GLU N 0.01927 0 . . 108 146 GLN N 0.01886 0 . . 109 147 THR N 0.01843 0.000010 . . 110 148 LYS N 0.02199 0 . . 111 149 ALA N 0.01893 0 . . 112 150 ILE N 0.01893 0.00010 . . 113 152 ASP N 0.02074 0 . . 114 153 ASN N 0.02097 0 . . 115 154 VAL N 0.02025 0 . . 116 156 ASP N 0.02408 0 . . 117 157 TRP N 0.02318 0 . . 118 158 SER N 0.01996 0 . . 119 159 LYS N 0.02361 0 . . 120 160 VAL N 0.01917 0.000010 . . 121 161 VAL N 0.02177 0 . . 122 167 VAL N 0.01014 0.000030 . . 123 168 TRP N 0.01675 0.000030 . . 124 169 ALA N 0.01915 0 . . 125 170 ILE N 0.01792 0 . . 126 172 THR N 0.01890 0.000070 . . 127 173 GLY N 0.02603 0.000060 . . 128 174 LYS N 0.01048 0.000010 . . 129 175 THR N 0.02563 0.000020 . . 130 176 ALA N 0.02025 0 . . 131 177 THR N 0.01668 0 . . 132 179 GLN N 0.01999 0 . . 133 180 GLN N 0.02189 0 . . 134 181 ALA N 0.01981 0.000020 . . 135 182 GLN N 0.01981 0 . . 136 183 GLU N 0.02074 0 . . 137 184 VAL N 0.02021 0 . . 138 185 HIS N 0.01718 0.000030 . . 139 186 GLU N 0.01533 0.000010 . . 140 187 LYS N 0.02041 0 . . 141 190 GLY N 0.02025 0 . . 142 194 SER N 0.02102 0 . . 143 195 HIS N 0.02101 0 . . 144 196 VAL N 0.01935 0 . . 145 197 SER N 0.02177 0 . . 146 198 ASP N 0.02045 0 . . 147 199 ALA N 0.02072 0 . . 148 200 VAL N 0.01964 0 . . 149 201 ALA N 0.02105 0 . . 150 202 GLN N 0.02064 0 . . 151 203 SER N 0.02008 0 . . 152 204 THR N 0.01841 0 . . 153 205 ARG N 0.01909 0.000010 . . 154 212 VAL N 0.004800 0.0014 . . 155 213 THR N 0.01767 0 . . 156 214 GLY N 0.01833 0 . . 157 215 GLY N 0.01601 0 . . 158 216 ASN N 0.01647 0.000010 . . 159 217 CYS N 0.01841 0.000010 . . 160 218 LYS N 0.02037 0 . . 161 219 GLU N 0.01752 0 . . 162 220 LEU N 0.01668 0.000010 . . 163 221 ALA N 0.02144 0 . . 164 222 SER N 0.02052 0 . . 165 223 GLN N 0.01792 0 . . 166 224 HIS N 0.02036 0 . . 167 225 ASP N 0.02119 0.000020 . . 168 226 VAL N 0.01679 0 . . 169 227 ASP N 0.01924 0.000010 . . 170 235 SER N 0.01921 0.000010 . . 171 236 LEU N 0.01944 0 . . 172 237 LYS N 0.01998 0 . . 173 239 GLU N 0.01697 0 . . 174 240 PHE N 0.01672 0 . . 175 241 VAL N 0.01795 0 . . 176 242 ASP N 0.01862 0 . . 177 243 ILE N 0.01833 0.000020 . . 178 245 ASN N 0.01967 0 . . 179 246 ALA N 0.01669 0 . . 180 247 LYS N 0.01998 0 . . 181 248 HIS N 0.02777 0 . . stop_ save_ save_1H15N_ssNOE_600MHz _Saveframe_category heteronuclear_NOE _Details . loop_ _Experiment_label '1H-15N ssNOE' stop_ loop_ _Sample_label . stop_ _Sample_conditions_label $standard_conditions _Spectrometer_frequency_1H 600 _Mol_system_component_name 'WT TIM chain 1' _Atom_one_atom_name N _Atom_two_atom_name H _Heteronuclear_NOE_value_type 'relative intensities' _NOE_reference_value 1.0 _NOE_reference_description . _Text_data_format . _Text_data . loop_ _Residue_seq_code _Residue_label _Heteronuclear_NOE_value _Heteronuclear_NOE_value_error 4 ARG -0.0460 0.0120 5 LYS 0.706 0.0140 6 PHE 0.769 0.0110 9 GLY 0.983 0.234 10 GLY 0.885 0.208 11 ASN 0.898 0.0200 13 LYS 0.915 0.0220 14 MET 0.736 0.0250 15 ASN 0.825 0.0140 16 GLY 0.842 0.00800 17 ASP 0.773 0.0250 18 LYS 0.821 0.0230 19 LYS 0.749 0.0150 20 SER 0.803 0.0260 21 LEU 0.908 0.0490 22 GLY 0.858 0.0190 23 GLU 0.764 0.0140 24 LEU 0.749 0.0130 26 HIS 0.899 0.0170 27 THR 0.922 0.0220 29 ASN 0.854 0.0150 30 GLY 0.728 0.0150 31 ALA 0.805 0.0120 32 LYS 0.634 0.00700 33 LEU 0.655 0.00700 34 SER 0.614 0.0100 35 ALA 0.663 0.0140 36 ASP 0.723 0.0190 37 THR 0.604 0.0110 38 GLU 0.810 0.0130 39 VAL 0.748 0.00800 40 VAL 0.873 0.277 42 GLY 0.721 0.132 46 ILE 0.477 0.00700 48 LEU 0.743 0.0960 49 ASP 0.899 0.0320 50 PHE 0.786 0.0180 53 GLN 0.892 0.0150 54 LYS 0.797 0.0110 56 ASP 0.909 0.0140 57 ALA 0.778 0.00800 58 LYS 0.748 0.0150 59 ILE 0.821 0.0140 60 GLY 0.834 0.0140 61 VAL 0.788 0.0140 63 ALA 0.635 0.100 64 GLN 0.856 0.0320 65 ASN 0.963 0.0220 66 CYS 0.756 0.0190 67 TYR 0.932 0.0540 71 LYS 0.790 0.0110 72 GLY 0.857 0.0140 73 ALA 0.864 0.0130 74 PHE 0.892 0.0230 75 THR 0.938 0.0530 76 GLY 0.828 0.0260 77 GLU 0.912 0.0250 78 ILE 0.833 0.0130 79 SER 0.793 0.0520 81 ALA 0.865 0.0260 82 MET 0.711 0.0290 85 ASP 0.875 0.0120 87 GLY 0.838 0.0130 88 ALA 0.827 0.0180 89 ALA 0.783 0.0130 90 TRP 0.816 0.0410 94 GLY 0.976 0.0520 95 HIS 0.767 0.0350 97 GLU 0.721 0.118 98 ARG 1.02 0.0820 100 HIS 0.842 0.0320 101 VAL 0.753 0.0320 102 PHE 0.833 0.0430 103 GLY 1.01 0.0230 104 GLU 0.906 0.0160 105 SER 0.878 0.0200 106 ASP 0.783 0.0150 107 GLU 0.827 0.0160 108 LEU 0.853 0.0170 109 ILE 0.817 0.0280 110 GLY 0.818 0.0220 111 GLN 0.781 0.0150 113 VAL 0.866 0.134 115 HIS 0.837 0.0100 116 ALA 0.807 0.0870 118 ALA 0.955 0.0130 119 GLU 0.766 0.0150 120 GLY 0.696 0.0140 121 LEU 0.808 0.0110 122 GLY 0.799 0.0170 128 GLY 0.827 0.0970 129 GLU 0.816 0.0250 130 LYS 0.898 0.0300 131 LEU 0.874 0.0540 132 ASP 0.706 0.0210 133 GLU 0.915 0.0440 135 GLU 0.906 0.0230 136 ALA 0.694 0.0140 137 GLY 0.799 0.0170 138 ILE 0.760 0.0240 139 THR 0.727 0.0180 140 GLU 0.756 0.0150 141 LYS 0.752 0.0160 142 VAL 0.901 0.0220 143 VAL 0.880 0.0230 144 PHE 0.851 0.0250 145 GLU 0.880 0.0200 146 GLN 0.892 0.0260 147 THR 1.02 0.0550 148 LYS 0.884 0.0310 149 ALA 0.858 0.0350 150 ILE 0.860 0.275 152 ASP 0.823 0.0150 153 ASN 0.883 0.0270 154 VAL 0.707 0.0120 156 ASP 0.201 0.0180 157 TRP 0.592 0.0200 158 SER 0.761 0.0250 159 LYS 0.510 0.0240 160 VAL 0.797 0.0580 161 VAL 0.734 0.0220 167 VAL 0.935 0.0850 168 TRP 0.867 0.115 169 ALA 0.704 0.0250 170 ILE 0.666 0.0330 172 THR 0.585 0.0920 173 GLY 0.492 0.0840 174 LYS 0.647 0.0420 175 THR 0.439 0.0590 176 ALA 0.519 0.0120 177 THR 0.850 0.0360 179 GLN 0.840 0.0270 180 GLN 0.843 0.0320 181 ALA 0.831 0.0550 182 GLN 0.899 0.0270 183 GLU 0.919 0.0140 184 VAL 0.833 0.0190 185 HIS 0.855 0.0740 186 GLU 0.783 0.0930 187 LYS 0.761 0.00900 190 GLY 0.961 0.0110 194 SER 0.690 0.0170 195 HIS 0.865 0.0320 196 VAL 0.771 0.0200 197 SER 0.759 0.0150 198 ASP 0.838 0.0340 199 ALA 0.832 0.0160 200 VAL 0.806 0.0250 201 ALA 0.854 0.0180 202 GLN 0.844 0.0280 203 SER 0.790 0.0360 204 THR 0.741 0.0320 205 ARG 0.924 0.0660 212 VAL 0.596 0.135 213 THR 0.880 0.0280 214 GLY 0.814 0.0240 215 GLY 0.845 0.0570 216 ASN 0.701 0.0490 217 CYS 0.686 0.0520 218 LYS 0.774 0.0160 219 GLU 0.695 0.0210 220 LEU 0.714 0.0450 221 ALA 0.790 0.0250 222 SER 0.749 0.0220 223 GLN 0.717 0.0120 224 HIS 0.773 0.0120 225 ASP 0.823 0.0460 226 VAL 0.946 0.0190 227 ASP 0.799 0.0480 235 SER 0.764 0.0510 236 LEU 1.07 0.0460 237 LYS 0.755 0.0160 239 GLU 0.712 0.0210 240 PHE 0.804 0.0250 241 VAL 0.832 0.0210 242 ASP 1.12 0.0270 243 ILE 0.786 0.0910 245 ASN 0.741 0.0140 246 ALA 0.688 0.0130 247 LYS 0.627 0.0180 248 HIS 0.399 0.00700 stop_ save_ save_1H15N_ssNOE_800MHz _Saveframe_category heteronuclear_NOE _Details . loop_ _Experiment_label '1H-15N ssNOE' stop_ loop_ _Sample_label . stop_ _Sample_conditions_label $standard_conditions _Spectrometer_frequency_1H 800 _Mol_system_component_name 'WT TIM chain 1' _Atom_one_atom_name N _Atom_two_atom_name H _Heteronuclear_NOE_value_type 'relative intensities' _NOE_reference_value 1.0 _NOE_reference_description . _Text_data_format . _Text_data . loop_ _Residue_seq_code _Residue_label _Heteronuclear_NOE_value _Heteronuclear_NOE_value_error 4 ARG -0.0590 0.0110 5 LYS 0.733 0.0150 6 PHE 0.706 0.0100 9 GLY 1.16 0.373 10 GLY 0.576 0.248 11 ASN 0.880 0.0250 13 LYS 0.871 0.0220 14 MET 0.856 0.0320 15 ASN 0.795 0.0150 16 GLY 0.731 0.00800 17 ASP 0.746 0.0260 18 LYS 0.797 0.0290 19 LYS 0.721 0.0170 20 SER 0.849 0.0300 21 LEU 0.870 0.0460 22 GLY 0.834 0.0200 23 GLU 0.822 0.0160 24 LEU 0.767 0.0150 26 HIS 0.868 0.0170 27 THR 0.869 0.0230 29 ASN 0.792 0.0140 30 GLY 0.698 0.0150 31 ALA 0.698 0.0120 32 LYS 0.620 0.00700 33 LEU 0.532 0.00600 34 SER 0.643 0.0110 35 ALA 0.667 0.0140 36 ASP 0.684 0.0170 37 THR 0.542 0.0100 38 GLU 0.799 0.0160 39 VAL 0.756 0.00900 40 VAL 0.552 0.211 42 GLY 0.500 0.202 46 ILE 0.523 0.00800 48 LEU 0.817 0.117 49 ASP 0.934 0.0380 50 PHE 0.802 0.0210 53 GLN 0.794 0.0140 54 LYS 0.808 0.0120 56 ASP 0.892 0.0150 57 ALA 0.774 0.00800 58 LYS 0.715 0.0180 59 ILE 0.753 0.0130 60 GLY 0.848 0.0150 61 VAL 0.751 0.0160 63 ALA 0.701 0.100 64 GLN 0.861 0.0380 65 ASN 0.918 0.0230 66 CYS 0.755 0.0210 67 TYR 0.874 0.0630 71 LYS 0.752 0.0120 72 GLY 0.827 0.0150 73 ALA 0.830 0.0140 74 PHE 0.786 0.0260 75 THR 0.862 0.0550 76 GLY 0.905 0.0330 77 GLU 0.838 0.0260 78 ILE 0.859 0.0160 79 SER 0.869 0.0680 81 ALA 0.876 0.0340 82 MET 0.751 0.0280 85 ASP 0.845 0.0130 87 GLY 0.810 0.0140 88 ALA 0.782 0.0190 89 ALA 0.755 0.0140 90 TRP 0.903 0.0490 94 GLY 0.918 0.0560 95 HIS 0.825 0.0490 97 GLU 1.14 0.342 98 ARG 0.835 0.0840 100 HIS 0.822 0.0410 101 VAL 0.813 0.0390 102 PHE 0.892 0.0500 103 GLY 0.963 0.0220 104 GLU 0.828 0.0190 105 SER 0.820 0.0220 106 ASP 0.731 0.0180 107 GLU 0.801 0.0160 108 LEU 0.848 0.0190 109 ILE 0.853 0.0360 110 GLY 0.800 0.0250 111 GLN 0.805 0.0170 113 VAL 0.644 0.106 115 HIS 0.885 0.0120 116 ALA 0.727 0.0160 118 ALA 0.922 0.0120 119 GLU 0.739 0.0140 120 GLY 0.718 0.0140 121 LEU 0.824 0.0110 122 GLY 0.835 0.0210 128 GLY 0.963 0.143 129 GLU 0.842 0.0350 130 LYS 0.850 0.0440 131 LEU 0.831 0.0810 132 ASP 0.691 0.0230 133 GLU 0.873 0.0450 135 GLU 0.889 0.0270 136 ALA 0.746 0.0180 137 GLY 0.835 0.0210 138 ILE 0.760 0.0280 139 THR 0.747 0.0190 140 GLU 0.758 0.0170 141 LYS 0.759 0.0170 142 VAL 0.909 0.0260 143 VAL 0.851 0.0240 144 PHE 0.840 0.0290 145 GLU 0.832 0.0200 146 GLN 0.833 0.0310 147 THR 0.897 0.0520 148 LYS 0.883 0.0320 149 ALA 0.794 0.0430 150 ILE 0.743 0.192 152 ASP 0.840 0.0180 153 ASN 0.847 0.0270 154 VAL 0.739 0.0120 156 ASP 0.177 0.0160 157 TRP 0.545 0.0180 158 SER 0.771 0.0290 159 LYS 0.536 0.0250 160 VAL 0.722 0.0630 161 VAL 0.680 0.0240 167 VAL 0.860 0.111 168 TRP 0.787 0.107 169 ALA 0.728 0.0310 170 ILE 0.741 0.0140 172 THR 0.660 0.114 173 GLY 0.565 0.0980 174 LYS 0.729 0.0710 175 THR 0.404 0.0650 176 ALA 0.511 0.0120 177 THR 0.791 0.0510 179 GLN 0.831 0.0320 180 GLN 0.826 0.0320 181 ALA 0.844 0.0800 182 GLN 0.842 0.0290 183 GLU 0.853 0.0140 184 VAL 0.735 0.0190 185 HIS 0.789 0.0900 186 GLU 0.859 0.100 187 LYS 0.773 0.0100 190 GLY 0.852 0.0110 194 SER 0.765 0.0180 195 HIS 0.872 0.0320 196 VAL 0.786 0.0240 197 SER 0.752 0.0160 198 ASP 0.850 0.0360 199 ALA 0.802 0.0190 200 VAL 0.866 0.0300 201 ALA 0.787 0.0170 202 GLN 0.849 0.0290 203 SER 0.723 0.0420 204 THR 0.702 0.0320 205 ARG 0.876 0.0670 212 VAL 0.559 0.167 213 THR 0.870 0.0380 214 GLY 0.762 0.0320 215 GLY 0.737 0.0470 216 ASN 0.796 0.0600 217 CYS 0.779 0.0730 218 LYS 0.768 0.0170 219 GLU 0.704 0.0230 220 LEU 0.741 0.0640 221 ALA 0.840 0.0280 222 SER 0.725 0.0220 223 GLN 0.741 0.0140 224 HIS 0.761 0.0130 225 ASP 0.790 0.0710 226 VAL 0.865 0.0190 227 ASP 0.932 0.0590 235 SER 0.825 0.0680 236 LEU 0.969 0.0460 237 LYS 0.773 0.0200 239 GLU 0.730 0.0260 240 PHE 0.835 0.0290 241 VAL 0.840 0.0250 242 ASP 0.956 0.0240 243 ILE 0.710 0.0780 245 ASN 0.741 0.0150 246 ALA 0.672 0.0140 247 LYS 0.650 0.0200 248 HIS 0.469 0.00600 stop_ save_