data_27129 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Backbone 1H, 13C, and 15N Chemical Shift Assignments for T94T variant of human liver FABP ; _BMRB_accession_number 27129 _BMRB_flat_file_name bmr27129.str _Entry_type original _Submission_date 2017-06-09 _Accession_date 2017-06-09 _Entry_origination author _NMR_STAR_version 2.1.1 _Experimental_method NMR _Details . loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 D'Onofrio Mariapina . . 2 Barracchia 'Carlo Giorgio' . . 3 Bortot Andrea . . 4 Munari Francesca . . 5 Zanzoni Serena . . 6 Assfalg Michael . . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 T1_relaxation 1 T2_relaxation 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 126 "13C chemical shifts" 239 "15N chemical shifts" 126 "T1 relaxation values" 109 "T2 relaxation values" 104 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2017-10-05 update BMRB 'update entry citation' 2017-07-06 original author 'original release' stop_ loop_ _Related_BMRB_accession_number _Relationship 27136 'T94T variant of human liver FABP, in complex with glycocholic acid' stop_ _Original_release_date 2017-06-09 save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full . _Citation_title ; Molecular differences between human liver fatty acid binding protein and its T94A variant in their unbound and lipid-bound states ; _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 28668637 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 D'Onofrio Mariapina . . 2 Barracchia 'Carlo Giorgio' . . 3 Bortot Andrea . . 4 Munari Francesca . . 5 Zanzoni Serena . . 6 Assfalg Michael . . stop_ _Journal_abbreviation 'Biochim. Biophys. Acta' _Journal_name_full 'Biochimica et biophysica acta' _Journal_volume 1865 _Journal_issue 9 _Journal_ISSN 0006-3002 _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 1152 _Page_last 1159 _Year 2017 _Details . save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name 'hL-FABP apo' _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label hL-FABP $hL-FABP stop_ _System_molecular_weight . _System_physical_state native _System_oligomer_state ? _System_paramagnetic no _System_thiol_state . _Database_query_date . _Details . save_ ######################## # Monomeric polymers # ######################## save_hL-FABP _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common hL-FABP _Molecular_mass . _Mol_thiol_state 'all free' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 135 _Mol_residue_sequence ; MRGSMSFSGKYQLQSQENFE AFMKAIGLPEELIQKGKDIK GVSEIVQNGKHFKFTITAGS KVIQNEFTVGEECELETMTG EKVKTVVQLEGDNKLVTTFK NIKSVTELNGDIITNTMTLG DIVFKRISKRILVPR ; loop_ _Residue_seq_code _Residue_author_seq_code _Residue_label 1 -3 MET 2 -2 ARG 3 -1 GLY 4 0 SER 5 1 MET 6 2 SER 7 3 PHE 8 4 SER 9 5 GLY 10 6 LYS 11 7 TYR 12 8 GLN 13 9 LEU 14 10 GLN 15 11 SER 16 12 GLN 17 13 GLU 18 14 ASN 19 15 PHE 20 16 GLU 21 17 ALA 22 18 PHE 23 19 MET 24 20 LYS 25 21 ALA 26 22 ILE 27 23 GLY 28 24 LEU 29 25 PRO 30 26 GLU 31 27 GLU 32 28 LEU 33 29 ILE 34 30 GLN 35 31 LYS 36 32 GLY 37 33 LYS 38 34 ASP 39 35 ILE 40 36 LYS 41 37 GLY 42 38 VAL 43 39 SER 44 40 GLU 45 41 ILE 46 42 VAL 47 43 GLN 48 44 ASN 49 45 GLY 50 46 LYS 51 47 HIS 52 48 PHE 53 49 LYS 54 50 PHE 55 51 THR 56 52 ILE 57 53 THR 58 54 ALA 59 55 GLY 60 56 SER 61 57 LYS 62 58 VAL 63 59 ILE 64 60 GLN 65 61 ASN 66 62 GLU 67 63 PHE 68 64 THR 69 65 VAL 70 66 GLY 71 67 GLU 72 68 GLU 73 69 CYS 74 70 GLU 75 71 LEU 76 72 GLU 77 73 THR 78 74 MET 79 75 THR 80 76 GLY 81 77 GLU 82 78 LYS 83 79 VAL 84 80 LYS 85 81 THR 86 82 VAL 87 83 VAL 88 84 GLN 89 85 LEU 90 86 GLU 91 87 GLY 92 88 ASP 93 89 ASN 94 90 LYS 95 91 LEU 96 92 VAL 97 93 THR 98 94 THR 99 95 PHE 100 96 LYS 101 97 ASN 102 98 ILE 103 99 LYS 104 100 SER 105 101 VAL 106 102 THR 107 103 GLU 108 104 LEU 109 105 ASN 110 106 GLY 111 107 ASP 112 108 ILE 113 109 ILE 114 110 THR 115 111 ASN 116 112 THR 117 113 MET 118 114 THR 119 115 LEU 120 116 GLY 121 117 ASP 122 118 ILE 123 119 VAL 124 120 PHE 125 121 LYS 126 122 ARG 127 123 ILE 128 124 SER 129 125 LYS 130 126 ARG 131 127 ILE 132 128 LEU 133 129 VAL 134 130 PRO 135 131 ARG stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date . save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species $hL-FABP Human 9606 Eukaryota Metazoa Homo sapiens stop_ save_ ######################### # Experimental source # ######################### save_experimental_source _Saveframe_category experimental_source loop_ _Mol_label _Production_method _Host_organism_name_common _Genus _Species _Strain _Vector_name $hL-FABP 'recombinant technology' . Escherichia coli . pQE50 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $hL-FABP 0.5 mM '[U-100% 13C; U-100% 15N]' 'phosphate buffer' 10 mM 'natural abundance' stop_ save_ save_sample_2 _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $hL-FABP 0.5 mM '[U-100% 15N]' 'phosphate buffer' 10 mM 'natural abundance' stop_ save_ ############################ # Computer software used # ############################ save_XEASY _Saveframe_category software _Name XEASY _Version . loop_ _Vendor _Address _Electronic_address 'Bartels et al.' . . stop_ loop_ _Task 'chemical shift assignment' stop_ _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model Avance _Field_strength 600 _Details 'with cryo probe' save_ ############################# # NMR applied experiments # ############################# save_2D_1H-15N_HSQC_1 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-15N HSQC' _Sample_label $sample_1 save_ save_3D_CBCA(CO)NH_2 _Saveframe_category NMR_applied_experiment _Experiment_name '3D CBCA(CO)NH' _Sample_label $sample_1 save_ save_3D_HNCACB_3 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCACB' _Sample_label $sample_1 save_ save_standard_Heteronuclear_15N_T1_4 _Saveframe_category NMR_applied_experiment _Experiment_name 'standard Heteronuclear 15N T1' _Sample_label $sample_2 save_ save_standard_Heteronuclear_15N_T2_5 _Saveframe_category NMR_applied_experiment _Experiment_name 'standard Heteronuclear 15N T2' _Sample_label $sample_2 save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Saveframe_category sample_conditions _Details . loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units 'ionic strength' 10 . mM pH 6.5 . pH pressure 1 . atm temperature 298 . K stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference_1 _Saveframe_category chemical_shift_reference _Details . loop_ _Mol_common_name _Atom_type _Atom_isotope_number _Atom_group _Chem_shift_units _Chem_shift_value _Reference_method _Reference_type _External_reference_sample_geometry _External_reference_location _External_reference_axis _Indirect_shift_ratio TSP C 13 protons ppm 0.00 external indirect . . . 0.251449530 TSP H 1 protons ppm 0.00 external direct . . . 1.00 TSP N 15 protons ppm 0.00 external indirect . . . 0.101329118 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_assigned_chem_shift_list_1 _Saveframe_category assigned_chemical_shifts _Details . loop_ _Experiment_label '2D 1H-15N HSQC' '3D CBCA(CO)NH' '3D HNCACB' stop_ loop_ _Sample_label $sample_1 stop_ _Sample_conditions_label $sample_conditions_1 _Chem_shift_reference_set_label $chemical_shift_reference_1 _Mol_system_component_name hL-FABP _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 0 4 SER H H 8.183 0.02 1 2 0 4 SER CA C 58.427 0.3 1 3 0 4 SER CB C 64 0.3 1 4 0 4 SER N N 115.366 0.2 1 5 1 5 MET H H 8.432 0.02 1 6 1 5 MET CA C 55.273 0.3 1 7 1 5 MET CB C 32.913 0.3 1 8 1 5 MET N N 122.181 0.2 1 9 2 6 SER H H 8.145 0.02 1 10 2 6 SER CA C 57.358 0.3 1 11 2 6 SER CB C 64.229 0.3 1 12 2 6 SER N N 116.625 0.2 1 13 3 7 PHE H H 9.566 0.02 1 14 3 7 PHE CA C 59.76 0.3 1 15 3 7 PHE CB C 40.882 0.3 1 16 3 7 PHE N N 122.533 0.2 1 17 4 8 SER H H 8.332 0.02 1 18 4 8 SER CA C 59.993 0.3 1 19 4 8 SER CB C 63.781 0.3 1 20 4 8 SER N N 116.323 0.2 1 21 5 9 GLY H H 8.949 0.02 1 22 5 9 GLY CA C 44.914 0.3 1 23 5 9 GLY N N 110.766 0.2 1 24 6 10 LYS H H 8.034 0.02 1 25 6 10 LYS CA C 55.273 0.3 1 26 6 10 LYS CB C 35.002 0.3 1 27 6 10 LYS N N 119.144 0.2 1 28 7 11 TYR H H 9.243 0.02 1 29 7 11 TYR CA C 56.046 0.3 1 30 7 11 TYR CB C 41.578 0.3 1 31 7 11 TYR N N 120.055 0.2 1 32 8 12 GLN H H 9.057 0.02 1 33 8 12 GLN CA C 54.267 0.3 1 34 8 12 GLN CB C 31.21 0.3 1 35 8 12 GLN N N 124.22 0.2 1 36 9 13 LEU H H 8.575 0.02 1 37 9 13 LEU CA C 57.516 0.3 1 38 9 13 LEU CB C 42.584 0.3 1 39 9 13 LEU N N 132.089 0.2 1 40 10 14 GLN H H 10.041 0.02 1 41 10 14 GLN CA C 56.201 0.3 1 42 10 14 GLN CB C 31.675 0.3 1 43 10 14 GLN N N 125.999 0.2 1 44 11 15 SER H H 7.945 0.02 1 45 11 15 SER CA C 57.587 0.3 1 46 11 15 SER CB C 64.916 0.3 1 47 11 15 SER N N 110.823 0.2 1 48 12 16 GLN H H 8.579 0.02 1 49 12 16 GLN CA C 54.152 0.3 1 50 12 16 GLN CB C 32.699 0.3 1 51 12 16 GLN N N 116.452 0.2 1 52 13 17 GLU H H 9.059 0.02 1 53 13 17 GLU CA C 55.195 0.3 1 54 13 17 GLU CB C 33.841 0.3 1 55 13 17 GLU N N 120.79 0.2 1 56 14 18 ASN H H 9.237 0.02 1 57 14 18 ASN CA C 54.499 0.3 1 58 14 18 ASN CB C 36.162 0.3 1 59 14 18 ASN N N 116.771 0.2 1 60 15 19 PHE H H 8.428 0.02 1 61 15 19 PHE CA C 62.236 0.3 1 62 15 19 PHE CB C 40.031 0.3 1 63 15 19 PHE N N 117.957 0.2 1 64 16 20 GLU H H 9.477 0.02 1 65 16 20 GLU CA C 61.308 0.3 1 66 16 20 GLU CB C 28.58 0.3 1 67 16 20 GLU N N 118.347 0.2 1 68 17 21 ALA H H 8.27 0.02 1 69 17 21 ALA CA C 54.731 0.3 1 70 17 21 ALA CB C 18.367 0.3 1 71 17 21 ALA N N 119.561 0.2 1 72 18 22 PHE H H 7.803 0.02 1 73 18 22 PHE CA C 62.081 0.3 1 74 18 22 PHE CB C 40.031 0.3 1 75 18 22 PHE N N 118.384 0.2 1 76 19 23 MET H H 8.116 0.02 1 77 19 23 MET CA C 55.892 0.3 1 78 19 23 MET CB C 31.288 0.3 1 79 19 23 MET N N 114.433 0.2 1 80 20 24 LYS H H 8.025 0.02 1 81 20 24 LYS CA C 59.141 0.3 1 82 20 24 LYS CB C 32.216 0.3 1 83 20 24 LYS N N 118.81 0.2 1 84 21 25 ALA H H 7.43 0.02 1 85 21 25 ALA CA C 54.731 0.3 1 86 21 25 ALA CB C 18.212 0.3 1 87 21 25 ALA N N 122.889 0.2 1 88 22 26 ILE H H 7.299 0.02 1 89 22 26 ILE CA C 61.54 0.3 1 90 22 26 ILE CB C 37.632 0.3 1 91 22 26 ILE N N 109.514 0.2 1 92 23 27 GLY H H 7.354 0.02 1 93 23 27 GLY CA C 45.525 0.3 1 94 23 27 GLY N N 108.226 0.2 1 95 24 28 LEU H H 7.796 0.02 1 96 24 28 LEU CA C 53.648 0.3 1 97 24 28 LEU CB C 42.042 0.3 1 98 24 28 LEU N N 124.274 0.2 1 99 26 30 GLU H H 8.717 0.02 1 100 26 30 GLU CA C 59.915 0.3 1 101 26 30 GLU CB C 29.586 0.3 1 102 26 30 GLU N N 123.997 0.2 1 103 27 31 GLU H H 9.244 0.02 1 104 27 31 GLU CA C 59.528 0.3 1 105 27 31 GLU CB C 29.044 0.3 1 106 27 31 GLU N N 117.364 0.2 1 107 28 32 LEU H H 7.115 0.02 1 108 28 32 LEU CA C 56.747 0.3 1 109 28 32 LEU CB C 41.478 0.3 1 110 28 32 LEU N N 117.445 0.2 1 111 29 33 ILE H H 7.761 0.02 1 112 29 33 ILE CA C 66.105 0.3 1 113 29 33 ILE CB C 37.632 0.3 1 114 29 33 ILE N N 123.186 0.2 1 115 30 34 GLN H H 8.163 0.02 1 116 30 34 GLN CA C 58.49 0.3 1 117 30 34 GLN CB C 27.918 0.3 1 118 30 34 GLN N N 116.625 0.2 1 119 31 35 LYS H H 7.5 0.02 1 120 31 35 LYS CA C 57.969 0.3 1 121 31 35 LYS CB C 33.004 0.3 1 122 31 35 LYS N N 115.805 0.2 1 123 32 36 GLY H H 7.791 0.02 1 124 32 36 GLY CA C 45.83 0.3 1 125 32 36 GLY N N 105.355 0.2 1 126 33 37 LYS H H 7.411 0.02 1 127 33 37 LYS CA C 58.832 0.3 1 128 33 37 LYS CB C 32.062 0.3 1 129 33 37 LYS N N 119.654 0.2 1 130 34 38 ASP H H 7.77 0.02 1 131 34 38 ASP CA C 53.999 0.3 1 132 34 38 ASP CB C 41.478 0.3 1 133 34 38 ASP N N 117.143 0.2 1 134 35 39 ILE H H 7.086 0.02 1 135 35 39 ILE CA C 61.153 0.3 1 136 35 39 ILE CB C 37.632 0.3 1 137 35 39 ILE N N 120.247 0.2 1 138 36 40 LYS H H 8.628 0.02 1 139 36 40 LYS CA C 54.963 0.3 1 140 36 40 LYS CB C 31.597 0.3 1 141 36 40 LYS N N 128.655 0.2 1 142 37 41 GLY H H 7.848 0.02 1 143 37 41 GLY CA C 45.219 0.3 1 144 37 41 GLY N N 110.996 0.2 1 145 38 42 VAL H H 8.29 0.02 1 146 38 42 VAL CA C 60.998 0.3 1 147 38 42 VAL CB C 35.002 0.3 1 148 38 42 VAL N N 120.34 0.2 1 149 39 43 SER H H 9.144 0.02 1 150 39 43 SER CA C 57.284 0.3 1 151 39 43 SER CB C 65.408 0.3 1 152 39 43 SER N N 121.402 0.2 1 153 40 44 GLU H H 9.377 0.02 1 154 40 44 GLU CA C 55.041 0.3 1 155 40 44 GLU CB C 32.448 0.3 1 156 40 44 GLU N N 125.461 0.2 1 157 41 45 ILE H H 9.308 0.02 1 158 41 45 ILE CA C 59.992 0.3 1 159 41 45 ILE CB C 40.185 0.3 1 160 41 45 ILE N N 125.777 0.2 1 161 42 46 VAL H H 8.999 0.02 1 162 42 46 VAL CA C 62.236 0.3 1 163 42 46 VAL CB C 33.996 0.3 1 164 42 46 VAL N N 128.499 0.2 1 165 43 47 GLN H H 8.515 0.02 1 166 43 47 GLN CA C 53.648 0.3 1 167 43 47 GLN CB C 29.818 0.3 1 168 43 47 GLN N N 131.001 0.2 1 169 44 48 ASN H H 8.965 0.02 1 170 44 48 ASN CA C 52.101 0.3 1 171 44 48 ASN CB C 39.566 0.3 1 172 44 48 ASN N N 127.037 0.2 1 173 46 50 LYS H H 8.725 0.02 1 174 46 50 LYS CA C 56.588 0.3 1 175 46 50 LYS CB C 33.377 0.3 1 176 46 50 LYS N N 126.09 0.2 1 177 47 51 HIS H H 7.976 0.02 1 178 47 51 HIS CA C 56.046 0.3 1 179 47 51 HIS CB C 31.443 0.3 1 180 47 51 HIS N N 120.34 0.2 1 181 48 52 PHE H H 8.775 0.02 1 182 48 52 PHE CA C 56.588 0.3 1 183 48 52 PHE CB C 43.899 0.3 1 184 48 52 PHE N N 124.498 0.2 1 185 49 53 LYS H H 8.247 0.02 1 186 49 53 LYS CA C 55.814 0.3 1 187 49 53 LYS CB C 35.388 0.3 1 188 49 53 LYS N N 118.699 0.2 1 189 50 54 PHE H H 9.46 0.02 1 190 50 54 PHE CA C 56.046 0.3 1 191 50 54 PHE CB C 42.893 0.3 1 192 50 54 PHE N N 127.445 0.2 1 193 51 55 THR H H 9.317 0.02 1 194 51 55 THR CA C 62.623 0.3 1 195 51 55 THR CB C 70.128 0.3 1 196 51 55 THR N N 121.328 0.2 1 197 52 56 ILE H H 9.299 0.02 1 198 52 56 ILE CA C 59.915 0.3 1 199 52 56 ILE CB C 41.191 0.3 1 200 52 56 ILE N N 127.704 0.2 1 201 53 57 THR H H 8.544 0.02 1 202 53 57 THR CA C 61.849 0.3 1 203 53 57 THR CB C 69.431 0.3 1 204 53 57 THR N N 122.032 0.2 1 205 54 58 ALA H H 8.806 0.02 1 206 54 58 ALA CA C 50.708 0.3 1 207 54 58 ALA CB C 19.295 0.3 1 208 54 58 ALA N N 131.224 0.2 1 209 55 59 GLY H H 8.903 0.02 1 210 55 59 GLY CA C 46.975 0.3 1 211 55 59 GLY N N 114.809 0.2 1 212 57 61 LYS H H 7.681 0.02 1 213 57 61 LYS CA C 55.35 0.3 1 214 57 61 LYS CB C 34.073 0.3 1 215 57 61 LYS N N 122.926 0.2 1 216 58 62 VAL H H 8.441 0.02 1 217 58 62 VAL CA C 61.54 0.3 1 218 58 62 VAL CB C 33.686 0.3 1 219 58 62 VAL N N 125.793 0.2 1 220 59 63 ILE H H 8.994 0.02 1 221 59 63 ILE CA C 60.379 0.3 1 222 59 63 ILE CB C 40.572 0.3 1 223 59 63 ILE N N 128.24 0.2 1 224 60 64 GLN H H 8.86 0.02 1 225 60 64 GLN CA C 54.19 0.3 1 226 60 64 GLN CB C 31.365 0.3 1 227 60 64 GLN N N 127.333 0.2 1 228 61 65 ASN H H 8.873 0.02 1 229 61 65 ASN CA C 52.178 0.3 1 230 61 65 ASN CB C 43.744 0.3 1 231 61 65 ASN N N 121.977 0.2 1 232 62 66 GLU H H 8.983 0.02 1 233 62 66 GLU CA C 54.886 0.3 1 234 62 66 GLU CB C 32.99 0.3 1 235 62 66 GLU N N 122.607 0.2 1 236 63 67 PHE H H 8.204 0.02 1 237 63 67 PHE CA C 56.356 0.3 1 238 63 67 PHE CB C 41.037 0.3 1 239 63 67 PHE N N 117.364 0.2 1 240 64 68 THR H H 9.02 0.02 1 241 64 68 THR CA C 61.23 0.3 1 242 64 68 THR CB C 70.283 0.3 1 243 64 68 THR N N 118.18 0.2 1 244 65 69 VAL H H 9.155 0.02 1 245 65 69 VAL CA C 64.48 0.3 1 246 65 69 VAL CB C 31.907 0.3 1 247 65 69 VAL N N 126.147 0.2 1 248 66 70 GLY H H 8.779 0.02 1 249 66 70 GLY CA C 45.372 0.3 1 250 66 70 GLY N N 110.045 0.2 1 251 67 71 GLU H H 7.772 0.02 1 252 67 71 GLU CA C 54.112 0.3 1 253 67 71 GLU CB C 31.752 0.3 1 254 67 71 GLU N N 119.209 0.2 1 255 68 72 GLU H H 8.938 0.02 1 256 68 72 GLU CA C 57.981 0.3 1 257 68 72 GLU CB C 30.05 0.3 1 258 68 72 GLU N N 125.499 0.2 1 259 69 73 CYS H H 9.183 0.02 1 260 69 73 CYS CA C 55.582 0.3 1 261 69 73 CYS CB C 32.062 0.3 1 262 69 73 CYS N N 122.014 0.2 1 263 70 74 GLU H H 8.456 0.02 1 264 70 74 GLU CA C 54.963 0.3 1 265 70 74 GLU CB C 31.675 0.3 1 266 70 74 GLU N N 119.802 0.2 1 267 71 75 LEU H H 8.723 0.02 1 268 71 75 LEU CA C 53.029 0.3 1 269 71 75 LEU CB C 44.518 0.3 1 270 71 75 LEU N N 125.682 0.2 1 271 72 76 GLU H H 8.965 0.02 1 272 72 76 GLU CA C 55.814 0.3 1 273 72 76 GLU CB C 30.669 0.3 1 274 72 76 GLU N N 123.496 0.2 1 275 73 77 THR H H 8.375 0.02 1 276 73 77 THR CA C 60.302 0.3 1 277 73 77 THR CB C 70.902 0.3 1 278 73 77 THR N N 116.178 0.2 1 279 75 79 THR H H 7.45 0.02 1 280 75 79 THR CA C 61.481 0.3 1 281 75 79 THR CB C 68.657 0.3 1 282 75 79 THR N N 104.541 0.2 1 283 76 80 GLY H H 7.674 0.02 1 284 76 80 GLY CA C 44.99 0.3 1 285 76 80 GLY N N 110.336 0.2 1 286 77 81 GLU H H 7.318 0.02 1 287 77 81 GLU CA C 55.969 0.3 1 288 77 81 GLU CB C 30.437 0.3 1 289 77 81 GLU N N 120.67 0.2 1 290 78 82 LYS H H 8.58 0.02 1 291 78 82 LYS CA C 54.963 0.3 1 292 78 82 LYS CB C 33.377 0.3 1 293 78 82 LYS N N 123.942 0.2 1 294 79 83 VAL H H 8.77 0.02 1 295 79 83 VAL CA C 59.373 0.3 1 296 79 83 VAL CB C 34.924 0.3 1 297 79 83 VAL N N 119.758 0.2 1 298 80 84 LYS H H 8.401 0.02 1 299 80 84 LYS CA C 55.35 0.3 1 300 80 84 LYS CB C 32.526 0.3 1 301 80 84 LYS N N 124.535 0.2 1 302 81 85 THR H H 8.815 0.02 1 303 81 85 THR CA C 59.296 0.3 1 304 81 85 THR CB C 69.045 0.3 1 305 81 85 THR N N 120.296 0.2 1 306 82 86 VAL H H 8.234 0.02 1 307 82 86 VAL CA C 61.23 0.3 1 308 82 86 VAL CB C 35.466 0.3 1 309 82 86 VAL N N 119.932 0.2 1 310 83 87 VAL H H 9.819 0.02 1 311 83 87 VAL CA C 60.843 0.3 1 312 83 87 VAL CB C 31.752 0.3 1 313 83 87 VAL N N 133.256 0.2 1 314 84 88 GLN H H 8.766 0.02 1 315 84 88 GLN CA C 53.725 0.3 1 316 84 88 GLN CB C 31.21 0.3 1 317 84 88 GLN N N 124.516 0.2 1 318 85 89 LEU H H 8.472 0.02 1 319 85 89 LEU CA C 53.88 0.3 1 320 85 89 LEU CB C 44.054 0.3 1 321 85 89 LEU N N 123.464 0.2 1 322 86 90 GLU H H 9.084 0.02 1 323 86 90 GLU CA C 55.35 0.3 1 324 86 90 GLU CB C 31.443 0.3 1 325 86 90 GLU N N 128.425 0.2 1 326 87 91 GLY H H 8.365 0.02 1 327 87 91 GLY CA C 45.83 0.3 1 328 87 91 GLY N N 112.495 0.2 1 329 88 92 ASP H H 8.433 0.02 1 330 88 92 ASP CA C 54.731 0.3 1 331 88 92 ASP CB C 41.578 0.3 1 332 88 92 ASP N N 117.828 0.2 1 333 89 93 ASN H H 8.125 0.02 1 334 89 93 ASN CA C 53.416 0.3 1 335 89 93 ASN CB C 39.566 0.3 1 336 89 93 ASN N N 114.433 0.2 1 337 90 94 LYS H H 7.427 0.02 1 338 90 94 LYS CA C 55.427 0.3 1 339 90 94 LYS CB C 35.853 0.3 1 340 90 94 LYS N N 118.764 0.2 1 341 91 95 LEU H H 8.963 0.02 1 342 91 95 LEU CA C 52.719 0.3 1 343 91 95 LEU CB C 44.209 0.3 1 344 91 95 LEU N N 124.609 0.2 1 345 92 96 VAL H H 9.284 0.02 1 346 92 96 VAL CA C 60.998 0.3 1 347 92 96 VAL CB C 35.388 0.3 1 348 92 96 VAL N N 124.053 0.2 1 349 93 97 THR H H 8.79 0.02 1 350 93 97 THR CB C 69.431 0.3 1 351 93 97 THR N N 121.18 0.2 1 352 94 98 THR H H 8.084 0.02 1 353 94 98 THR CA C 59.725 0.3 1 354 94 98 THR CB C 71.329 0.3 1 355 94 98 THR N N 117.661 0.2 1 356 95 99 PHE H H 8.295 0.02 1 357 95 99 PHE CA C 55.427 0.3 1 358 95 99 PHE CB C 39.721 0.3 1 359 95 99 PHE N N 121.05 0.2 1 360 96 100 LYS H H 9.272 0.02 1 361 96 100 LYS CA C 57.749 0.3 1 362 96 100 LYS CB C 29.431 0.3 1 363 96 100 LYS N N 119.833 0.2 1 364 97 101 ASN H H 8.432 0.02 1 365 97 101 ASN N N 113.819 0.2 1 366 98 102 ILE H H 8.288 0.02 1 367 98 102 ILE CA C 60.534 0.3 1 368 98 102 ILE CB C 39.566 0.3 1 369 98 102 ILE N N 121.94 0.2 1 370 99 103 LYS H H 8.105 0.02 1 371 99 103 LYS CA C 55.427 0.3 1 372 99 103 LYS CB C 33.918 0.3 1 373 99 103 LYS N N 127.073 0.2 1 374 100 104 SER H H 8.891 0.02 1 375 100 104 SER CA C 55.66 0.3 1 376 100 104 SER CB C 64.325 0.3 1 377 100 104 SER N N 121.198 0.2 1 378 101 105 VAL H H 8.929 0.02 1 379 101 105 VAL CA C 61.308 0.3 1 380 101 105 VAL CB C 34.924 0.3 1 381 101 105 VAL N N 128.407 0.2 1 382 102 106 THR H H 9.276 0.02 1 383 102 106 THR CA C 62.313 0.3 1 384 102 106 THR CB C 70.05 0.3 1 385 102 106 THR N N 127.537 0.2 1 386 103 107 GLU H H 9.075 0.02 1 387 103 107 GLU CA C 54.112 0.3 1 388 103 107 GLU CB C 33.996 0.3 1 389 103 107 GLU N N 127.869 0.2 1 390 104 108 LEU H H 8.436 0.02 1 391 104 108 LEU CA C 53.725 0.3 1 392 104 108 LEU CB C 45.06 0.3 1 393 104 108 LEU N N 128.351 0.2 1 394 105 109 ASN H H 8.869 0.02 1 395 105 109 ASN CA C 52.487 0.3 1 396 105 109 ASN CB C 40.185 0.3 1 397 105 109 ASN N N 126.129 0.2 1 398 106 110 GLY H H 8.892 0.02 1 399 106 110 GLY CA C 47.891 0.3 1 400 106 110 GLY N N 115.565 0.2 1 401 107 111 ASP H H 8.837 0.02 1 402 107 111 ASP CA C 53.957 0.3 1 403 107 111 ASP CB C 41.733 0.3 1 404 107 111 ASP N N 127.13 0.2 1 405 108 112 ILE H H 7.909 0.02 1 406 108 112 ILE CA C 58.754 0.3 1 407 108 112 ILE CB C 39.102 0.3 1 408 108 112 ILE N N 120.136 0.2 1 409 109 113 ILE H H 8.77 0.02 1 410 109 113 ILE CA C 58.29 0.3 1 411 109 113 ILE CB C 40.804 0.3 1 412 109 113 ILE N N 126.442 0.2 1 413 110 114 THR H H 8.974 0.02 1 414 110 114 THR CA C 61.075 0.3 1 415 110 114 THR CB C 69.896 0.3 1 416 110 114 THR N N 123.311 0.2 1 417 111 115 ASN H H 9.232 0.02 1 418 111 115 ASN CA C 51.559 0.3 1 419 111 115 ASN CB C 42.042 0.3 1 420 111 115 ASN N N 126.74 0.2 1 421 112 116 THR H H 9.201 0.02 1 422 112 116 THR CA C 61.462 0.3 1 423 112 116 THR CB C 69.664 0.3 1 424 112 116 THR N N 122.811 0.2 1 425 113 117 MET H H 9.196 0.02 1 426 113 117 MET CA C 54.267 0.3 1 427 113 117 MET CB C 36.549 0.3 1 428 113 117 MET N N 127.315 0.2 1 429 114 118 THR H H 8.771 0.02 1 430 114 118 THR CA C 61.385 0.3 1 431 114 118 THR CB C 70.669 0.3 1 432 114 118 THR N N 118.161 0.2 1 433 115 119 LEU H H 8.795 0.02 1 434 115 119 LEU CA C 53.88 0.3 1 435 115 119 LEU CB C 44.75 0.3 1 436 115 119 LEU N N 129.852 0.2 1 437 116 120 GLY H H 9.159 0.02 1 438 116 120 GLY CA C 47.304 0.3 1 439 116 120 GLY N N 117.846 0.2 1 440 117 121 ASP H H 8.597 0.02 1 441 117 121 ASP CA C 53.957 0.3 1 442 117 121 ASP CB C 40.804 0.3 1 443 117 121 ASP N N 126.201 0.2 1 444 118 122 ILE H H 8.329 0.02 1 445 118 122 ILE CA C 61.849 0.3 1 446 118 122 ILE CB C 38.793 0.3 1 447 118 122 ILE N N 122.514 0.2 1 448 119 123 VAL H H 8.32 0.02 1 449 119 123 VAL CA C 61.462 0.3 1 450 119 123 VAL CB C 31.984 0.3 1 451 119 123 VAL N N 127.315 0.2 1 452 120 124 PHE H H 9.234 0.02 1 453 120 124 PHE CA C 53.803 0.3 1 454 120 124 PHE CB C 40.418 0.3 1 455 120 124 PHE N N 131.224 0.2 1 456 121 125 LYS H H 8.064 0.02 1 457 121 125 LYS CA C 54.422 0.3 1 458 121 125 LYS CB C 36.859 0.3 1 459 121 125 LYS N N 129.333 0.2 1 460 122 126 ARG H H 8.637 0.02 1 461 122 126 ARG CA C 55.35 0.3 1 462 122 126 ARG CB C 34.537 0.3 1 463 122 126 ARG N N 123.297 0.2 1 464 123 127 ILE H H 8.743 0.02 1 465 123 127 ILE CA C 61.23 0.3 1 466 123 127 ILE CB C 39.489 0.3 1 467 123 127 ILE N N 126.071 0.2 1 468 124 128 SER H H 9.221 0.02 1 469 124 128 SER CA C 57.594 0.3 1 470 124 128 SER CB C 65.331 0.3 1 471 124 128 SER N N 122.403 0.2 1 472 125 129 LYS H H 8.625 0.02 1 473 125 129 LYS CA C 54.499 0.3 1 474 125 129 LYS CB C 36.936 0.3 1 475 125 129 LYS N N 123.701 0.2 1 476 126 130 ARG H H 9.297 0.02 1 477 126 130 ARG CA C 57.439 0.3 1 478 126 130 ARG CB C 31.443 0.3 1 479 126 130 ARG N N 129.982 0.2 1 480 127 131 ILE H H 8.633 0.02 1 481 127 131 ILE CA C 60.998 0.3 1 482 127 131 ILE CB C 39.412 0.3 1 483 127 131 ILE N N 126.312 0.2 1 484 128 132 LEU H H 8.298 0.02 1 485 128 132 LEU CA C 54.654 0.3 1 486 128 132 LEU CB C 42.352 0.3 1 487 128 132 LEU N N 127.222 0.2 1 488 129 133 VAL H H 8.028 0.02 1 489 129 133 VAL CA C 59.528 0.3 1 490 129 133 VAL CB C 32.603 0.3 1 491 129 133 VAL N N 123 0.2 1 stop_ save_ save_heteronuclear_T1_list_1 _Saveframe_category T1_relaxation _Details . loop_ _Sample_label $sample_2 stop_ _Sample_conditions_label $sample_conditions_1 _Spectrometer_frequency_1H 600 _T1_coherence_type Sz _T1_value_units s _Mol_system_component_name hL-FABP _Text_data_format . _Text_data . loop_ _T1_ID _Residue_seq_code _Residue_label _Atom_name _T1_value _T1_value_error 1 6 SER N 0.695023631 0.031509863 2 7 PHE N 0.695516699 0.038863951 3 8 SER N 0.72021203 0.043955093 4 9 GLY N 0.721339383 0.029747295 5 10 LYS N 0.739070988 0.027906683 6 11 TYR N 0.721787145 0.030503185 7 12 GLN N 0.732600733 0.035492225 8 13 LEU N 0.628010525 0.035720556 9 14 GLN N 0.696776711 0.047705012 10 15 SER N 0.76516363 0.030345189 11 16 GLN N 0.695453818 0.038097584 12 17 GLU N 0.740894408 0.029559586 13 18 ASN N 0.702770321 0.036903171 14 19 PHE N 0.709239978 0.033551524 15 20 GLU N 0.699300699 0.008342706 16 21 ALA N 0.712245639 0.014386854 17 22 PHE N 0.694280517 0.011732499 18 23 MET N 0.690240687 0.02308314 19 24 LYS N 0.713190458 0.015472848 20 25 ALA N 0.711546261 0.008490619 21 26 ILE N 0.73713696 0.011437957 22 27 GLY N 0.685011268 0.00698699 23 28 LEU N 0.694444444 0.016468943 24 30 GLU N 0.738721568 0.034919954 25 31 GLU N 0.698880394 0.036837678 26 32 LEU N 0.731106383 0.014725931 27 33 ILE N 0.730550908 0.015007774 28 35 LYS N 0.709239978 0.02072951 29 36 GLY N 0.71372493 0.040538313 30 37 LYS N 0.685739364 0.034383837 31 38 ASP N 0.687455315 0.041224445 32 39 ILE N 0.702878992 0.034587662 33 41 GLY N 0.72063762 0.063237423 34 42 VAL N 0.673192143 0.036309395 35 43 SER N 0.715358752 0.029593817 36 44 GLU N 0.753324042 0.037012162 37 45 ILE N 0.719346833 0.030323148 38 46 VAL N 0.762811418 0.030729149 39 47 GLN N 0.702622186 0.044110124 40 48 ASN N 0.761811893 0.047020553 41 50 LYS N 0.745778891 0.04266504 42 51 HIS N 0.723327306 0.047082983 43 52 PHE N 0.792839077 0.058258074 44 53 LYS N 0.770190545 0.027239444 45 54 PHE N 0.756818939 0.037682861 46 55 THR N 0.783103753 0.033581652 47 57 THR N 0.676983901 0.031297799 48 58 ALA N 0.661493785 0.030372013 49 61 LYS N 0.636379257 0.046779073 50 62 VAL N 0.696655358 0.022291147 51 63 ILE N 0.71962637 0.017213737 52 64 GLN N 0.737158696 0.025469296 53 65 ASN N 0.757036656 0.029721199 54 66 GLU N 0.744230354 0.0366557 55 67 PHE N 0.740674903 0.026645469 56 68 THR N 0.74691524 0.04662223 57 69 VAL N 0.721625678 0.026193404 58 70 GLY N 0.720035714 0.025310799 59 71 GLU N 0.711004934 0.039476683 60 72 GLU N 0.765298313 0.042338916 61 73 CYS N 0.688842813 0.030282872 62 74 GLU N 0.786534529 0.024838258 63 75 LEU N 0.758190351 0.021321283 64 80 GLY N 0.692938266 0.042624109 65 81 GLU N 0.709149446 0.035287997 66 82 LYS N 0.762195122 0.020908081 67 83 VAL N 0.74873277 0.026280964 68 84 LYS N 0.794419994 0.017538356 69 85 THR N 0.707603912 0.018255642 70 86 VAL N 0.749434177 0.041652082 71 87 VAL N 0.727817929 0.039252173 72 88 GLN N 0.744723633 0.0223731 73 89 LEU N 0.754449365 0.0132736 74 90 GLU N 0.749299405 0.020273945 75 91 GLY N 0.769692585 0.047927318 76 92 ASP N 0.710919005 0.047503094 77 94 LYS N 0.720378054 0.022096659 78 95 LEU N 0.744235893 0.022221949 79 97 THR N 0.702123925 0.023234053 80 98 THR N 0.72804578 0.032555711 81 99 PHE N 0.704225352 0.021369768 82 100 LYS N 0.683858879 0.038816026 83 102 ILE N 0.705432536 0.02151774 84 103 LYS N 0.732686615 0.026481808 85 104 SER N 0.750795844 0.035896059 86 105 VAL N 0.765146066 0.034822477 87 106 THR N 0.742362941 0.065454472 88 107 GLU N 0.737147828 0.029516777 89 108 LEU N 0.710782572 0.024305743 90 109 ASN N 0.73462971 0.028387211 91 111 ASP N 0.703586179 0.047488565 92 112 ILE N 0.714689003 0.032623542 93 114 THR N 0.721443464 0.03648049 94 115 ASN N 0.717854477 0.043595653 95 116 THR N 0.718540501 0.035139409 96 117 MET N 0.715512307 0.035299495 97 118 THR N 0.742451128 0.033068508 98 119 LEU N 0.714326533 0.019221584 99 120 GLY N 0.724590425 0.051038291 100 121 ASP N 0.7593764 0.050595492 101 122 ILE N 0.719264049 0.02617227 102 123 VAL N 0.745100961 0.016022363 103 124 PHE N 0.702898754 0.012682691 104 125 LYS N 0.72125614 0.025927287 105 126 ARG N 0.740592622 0.037197739 106 127 ILE N 0.772988683 0.038903974 107 128 SER N 0.697267409 0.033488205 108 129 LYS N 0.72315992 0.016708581 109 130 ARG N 0.668623505 0.02617074 stop_ save_ save_heteronuclear_T2_list_1 _Saveframe_category T2_relaxation _Details . loop_ _Sample_label $sample_2 stop_ _Sample_conditions_label $sample_conditions_1 _Spectrometer_frequency_1H 600 _T2_coherence_type S(+,-) _T2_value_units s _Mol_system_component_name hL-FABP _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 7 PHE N 0.097232472 0.006647215 . . 2 8 SER N 0.092261562 0.008152555 . . 3 9 GLY N 0.094690424 0.00693936 . . 4 10 LYS N 0.091640969 0.005214444 . . 5 11 TYR N 0.092875605 0.005375302 . . 6 12 GLN N 0.085806712 0.005630474 . . 7 13 LEU N 0.079352673 0.004389973 . . 8 14 GLN N 0.095199925 0.007658891 . . 9 15 SER N 0.089941484 0.004666654 . . 10 16 GLN N 0.096238332 0.009184851 . . 11 17 GLU N 0.091443871 0.002999777 . . 12 18 ASN N 0.102750423 0.010376375 . . 13 19 PHE N 0.105068284 0.007737587 . . 14 20 GLU N 0.092025104 0.003405063 . . 15 21 ALA N 0.090248798 0.00234596 . . 16 22 PHE N 0.084870407 0.002858649 . . 17 23 MET N 0.104016817 0.00547326 . . 18 25 ALA N 0.087395322 0.002278475 . . 19 26 ILE N 0.079013469 0.001998862 . . 20 27 GLY N 0.078978211 0.001342447 . . 21 28 LEU N 0.091961887 0.002208627 . . 22 30 GLU N 0.094078333 0.004492101 . . 23 31 GLU N 0.099947328 0.008455486 . . 24 32 LEU N 0.092834995 0.00254577 . . 25 33 ILE N 0.084272054 0.002378954 . . 26 34 GLN N 0.11229621 0.007270422 . . 27 35 LYS N 0.093397628 0.004044211 . . 28 36 GLY N 0.091039277 0.007722152 . . 29 37 LYS N 0.092994622 0.007569854 . . 30 38 ASP N 0.106293873 0.011988041 . . 31 39 ILE N 0.107654215 0.009509939 . . 32 41 GLY N 0.11128905 0.011590863 . . 33 42 VAL N 0.092056957 0.006473319 . . 34 43 SER N 0.091261859 0.004980995 . . 35 44 GLU N 0.086280458 0.003317039 . . 36 45 ILE N 0.088299675 0.005524056 . . 37 46 VAL N 0.088491112 0.008753287 . . 38 47 GLN N 0.085100879 0.006027722 . . 39 50 LYS N 0.099241793 0.009735277 . . 40 51 HIS N 0.0872742 0.008381283 . . 41 52 PHE N 0.09332415 0.004368634 . . 42 53 LYS N 0.095366067 0.005556854 . . 43 54 PHE N 0.067362658 0.003735049 . . 44 55 THR N 0.072821172 0.012170474 . . 45 57 THR N 0.084983428 0.005935551 . . 46 58 ALA N 0.092049839 0.006168724 . . 47 61 LYS N 0.116873084 0.012790449 . . 48 62 VAL N 0.101719673 0.003926542 . . 49 63 ILE N 0.100956869 0.004899434 . . 50 64 GLN N 0.096949109 0.008090865 . . 51 65 ASN N 0.093698758 0.005544403 . . 52 67 PHE N 0.080725627 0.00479148 . . 53 68 THR N 0.079928576 0.012329187 . . 54 69 VAL N 0.088490642 0.004945411 . . 55 70 GLY N 0.082888842 0.010173857 . . 56 71 GLU N 0.095422852 0.008283019 . . 57 72 GLU N 0.110725785 0.013008072 . . 58 73 CYS N 0.093354992 0.00422807 . . 59 74 GLU N 0.098962086 0.004493843 . . 60 75 LEU N 0.097300684 0.002816369 . . 61 76 GLU N 0.092405898 0.010851085 . . 62 80 GLY N 0.090978814 0.009903438 . . 63 81 GLU N 0.116198947 0.010043338 . . 64 82 LYS N 0.094969828 0.003013969 . . 65 83 VAL N 0.083588347 0.004127228 . . 66 84 LYS N 0.093807134 0.002128314 . . 67 85 THR N 0.091940327 0.004549671 . . 68 86 VAL N 0.098349402 0.004526973 . . 69 87 VAL N 0.091008456 0.005364435 . . 70 88 GLN N 0.094562111 0.015786641 . . 71 89 LEU N 0.095234649 0.001348383 . . 72 90 GLU N 0.109435292 0.002204318 . . 73 91 GLY N 0.124564491 0.012515458 . . 74 92 ASP N 0.112228407 0.009612291 . . 75 94 LYS N 0.087364781 0.002791931 . . 76 95 LEU N 0.096243241 0.004037823 . . 77 96 VAL N 0.068983596 0.006191116 . . 78 97 THR N 0.086925078 0.006362126 . . 79 98 THR N 0.088043127 0.005598355 . . 80 99 PHE N 0.093769223 0.003375505 . . 81 100 LYS N 0.094616689 0.008668977 . . 82 102 ILE N 0.086660595 0.007813615 . . 83 103 LYS N 0.096141089 0.007620389 . . 84 104 SER N 0.079282776 0.003961474 . . 85 105 VAL N 0.091986842 0.004022212 . . 86 106 THR N 0.09416586 0.007189711 . . 87 107 GLU N 0.095888217 0.012505784 . . 88 109 ASN N 0.099237459 0.008778277 . . 89 112 ILE N 0.090527067 0.006679621 . . 90 113 ILE N 0.09434078 0.013689816 . . 91 114 THR N 0.085937896 0.005426291 . . 92 115 ASN N 0.087869679 0.007356259 . . 93 116 THR N 0.086524052 0.006269121 . . 94 117 MET N 0.096237777 0.00748022 . . 95 118 THR N 0.091345974 0.006635134 . . 96 119 LEU N 0.087043262 0.005427826 . . 97 120 GLY N 0.099908983 0.011089086 . . 98 122 ILE N 0.093824385 0.004646231 . . 99 124 PHE N 0.082096414 0.002735761 . . 100 125 LYS N 0.083248766 0.00442933 . . 101 126 ARG N 0.0865615 0.004789382 . . 102 128 SER N 0.091456667 0.004943649 . . 103 129 LYS N 0.090373995 0.003929691 . . 104 130 ARG N 0.082603941 0.004447772 . . stop_ save_