data_19188 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Ligand binding promiscuity of human liver fatty acid binding protein: structural and dynamic insights from an interaction study with glycocholate and oleate ; _BMRB_accession_number 19188 _BMRB_flat_file_name bmr19188.str _Entry_type original _Submission_date 2013-04-24 _Accession_date 2013-04-24 _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 Favretto Filippo . . 3 Assfalg Michael . . 4 Molinari Henriette . . 5 Gallo Mariana . . 6 Cicero Daniel . . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 heteronucl_NOE 1 T1_relaxation 1 T2_relaxation 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 251 "13C chemical shifts" 373 "15N chemical shifts" 126 "T1 relaxation values" 98 "T2 relaxation values" 102 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2013-10-17 original author . stop_ loop_ _Related_BMRB_accession_number _Relationship 19160 'hL-FABP in complex with glycocholate' 19189 'hL-FABP in apo form' stop_ _Original_release_date 2013-10-17 save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full . _Citation_title 'Ligand binding promiscuity of human liver fatty acid binding protein: structural and dynamic insights from an interaction study with glycocholate and oleate' _Citation_status submitted _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID ? loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Favretto Filippo . . 2 Assfalg Michael . . 3 Gallo Mariana . . 4 Cicero Daniel . . 5 D'Onofrio Mariapina . . 6 Molinari Henriette . . stop_ _Journal_abbreviation ChemBioChem _Journal_volume . _Journal_issue . _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first . _Page_last . _Year . _Details . loop_ _Keyword 'fatty acid carrier' 'lipid binding protein' 'oleic acid' stop_ save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name hL-FABP:OLA _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label 'human liver fatty acid binding protein' $hL-FABP oleate $entity_OLA 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 EKVKTVVQLEGDNKLVTAFK 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 ALA 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 2015-11-04 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 17302 L-FABP 93.33 126 99.21 99.21 1.88e-81 BMRB 17303 L-FABP 93.33 126 99.21 99.21 1.88e-81 BMRB 19160 hL-FABP 100.00 135 100.00 100.00 3.65e-90 BMRB 19189 hL-FABP 100.00 135 100.00 100.00 3.65e-90 BMRB 25333 hL-FABP 100.00 135 100.00 100.00 3.65e-90 PDB 2F73 "Crystal Structure Of Human Fatty Acid Binding Protein 1 (Fabp1)" 94.81 149 99.22 99.22 4.43e-83 PDB 2L67 "Solution Structure Of Human Apo L-fabp" 93.33 126 99.21 99.21 1.88e-81 PDB 2L68 "Solution Structure Of Human Holo L-fabp" 93.33 126 99.21 99.21 1.88e-81 PDB 2LKK "Human L-fabp In Complex With Oleate" 93.33 126 99.21 99.21 1.88e-81 PDB 2PY1 "Solution Structure Of Human Liver Fatty Acid Binding Protein" 95.56 129 99.22 99.22 7.65e-84 PDB 3B2H "Iodide Derivative Of Human Lfabp At High Resolution" 97.04 132 97.71 97.71 5.64e-82 PDB 3B2I "Iodide Derivative Of Human Lfabp" 97.04 132 97.71 97.71 5.64e-82 PDB 3B2J "Iodide Derivative Of Human Lfabp" 97.04 132 97.71 97.71 5.64e-82 PDB 3B2K "Iodide Derivative Of Human Lfabp" 97.04 132 97.71 97.71 5.64e-82 PDB 3B2L "Iodide Derivative Of Human Lfabp" 97.04 132 97.71 97.71 5.64e-82 PDB 3STK "Crystal Structure Of Human Lfabp Complex With Two Molecules Of Palmitic Acid (Holo-Lfabp)" 97.04 132 97.71 97.71 5.64e-82 PDB 3STM "Structure Of Human Lfabp In Complex With One Molecule Of Palmitic Acid" 97.04 132 97.71 97.71 5.64e-82 PDB 3STN "Structure Of Human Lfabp (Apo-Lfabp)" 97.04 132 97.71 97.71 5.64e-82 PDB 3VG2 "Iodide Derivative Of Human Lfabp" 97.04 132 97.71 97.71 5.64e-82 PDB 3VG3 "Cadmium Derivative Of Human Lfabp" 97.04 132 97.71 97.71 5.64e-82 PDB 3VG4 "Cadmium Derivative Of Human Lfabp" 97.04 132 97.71 97.71 5.64e-82 PDB 3VG5 "Barium Derivative Of Human Lfabp" 97.04 132 97.71 97.71 5.64e-82 PDB 3VG6 "Barium Derivative Of Human Lfabp" 97.04 132 97.71 97.71 5.64e-82 PDB 3VG7 "Structure Of Human Lfabp At High Resolution From S-sad" 97.04 132 97.71 97.71 5.64e-82 DBJ BAI46102 "fatty acid binding protein 1, liver [synthetic construct]" 94.07 127 99.21 99.21 2.14e-82 EMBL CAG46887 "FABP1 [Homo sapiens]" 94.07 127 99.21 99.21 2.14e-82 GB AAA52418 "fatty acid binding protein [Homo sapiens]" 94.07 127 100.00 100.00 3.31e-83 GB AAA52419 "L-FABP [Homo sapiens]" 94.07 127 99.21 99.21 2.14e-82 GB AAH22287 "FABP1 protein, partial [Homo sapiens]" 93.33 134 98.41 99.21 2.46e-81 GB AAH32801 "Fatty acid binding protein 1, liver [Homo sapiens]" 94.07 127 99.21 99.21 2.14e-82 GB AAX37108 "fatty acid binding protein 1 [synthetic construct]" 94.07 128 99.21 99.21 2.28e-82 REF NP_001434 "fatty acid-binding protein, liver [Homo sapiens]" 94.07 127 99.21 99.21 2.14e-82 REF XP_001140263 "PREDICTED: fatty acid-binding protein, liver [Pan troglodytes]" 94.07 127 99.21 99.21 2.14e-82 REF XP_003268834 "PREDICTED: fatty acid-binding protein, liver [Nomascus leucogenys]" 94.07 127 97.64 98.43 6.80e-81 REF XP_003805902 "PREDICTED: fatty acid-binding protein, liver [Pan paniscus]" 94.07 127 99.21 99.21 2.14e-82 REF XP_004029642 "PREDICTED: fatty acid-binding protein, liver [Gorilla gorilla gorilla]" 94.07 127 98.43 99.21 5.35e-82 SP P07148 "RecName: Full=Fatty acid-binding protein, liver; AltName: Full=Fatty acid-binding protein 1; AltName: Full=Liver-type fatty aci" 94.07 127 99.21 99.21 2.14e-82 stop_ save_ ############# # Ligands # ############# save_OLA _Saveframe_category ligand _Mol_type "non-polymer (NON-POLYMER)" _Name_common "entity_OLA (OLEIC ACID)" _BMRB_code OLA _PDB_code OLA _Molecular_mass 282.461 _Mol_charge 0 _Mol_paramagnetic . _Mol_aromatic no _Details . loop_ _Atom_name _PDB_atom_name _Atom_type _Atom_chirality _Atom_charge _Atom_oxidation_number _Atom_unpaired_electrons C1 C1 C . 0 . ? O1 O1 O . 0 . ? O2 O2 O . 0 . ? C2 C2 C . 0 . ? C3 C3 C . 0 . ? C4 C4 C . 0 . ? C5 C5 C . 0 . ? C6 C6 C . 0 . ? C7 C7 C . 0 . ? C8 C8 C . 0 . ? C9 C9 C . 0 . ? C10 C10 C . 0 . ? C11 C11 C . 0 . ? C12 C12 C . 0 . ? C13 C13 C . 0 . ? C14 C14 C . 0 . ? C15 C15 C . 0 . ? C16 C16 C . 0 . ? C17 C17 C . 0 . ? C18 C18 C . 0 . ? HO2 HO2 H . 0 . ? H21 H21 H . 0 . ? H22 H22 H . 0 . ? H31 H31 H . 0 . ? H32 H32 H . 0 . ? H41 H41 H . 0 . ? H42 H42 H . 0 . ? H51 H51 H . 0 . ? H52 H52 H . 0 . ? H61 H61 H . 0 . ? H62 H62 H . 0 . ? H71 H71 H . 0 . ? H72 H72 H . 0 . ? H81 H81 H . 0 . ? H82 H82 H . 0 . ? H9 H9 H . 0 . ? H10 H10 H . 0 . ? H111 H111 H . 0 . ? H112 H112 H . 0 . ? H121 H121 H . 0 . ? H122 H122 H . 0 . ? H131 H131 H . 0 . ? H132 H132 H . 0 . ? H141 H141 H . 0 . ? H142 H142 H . 0 . ? H151 H151 H . 0 . ? H152 H152 H . 0 . ? H161 H161 H . 0 . ? H162 H162 H . 0 . ? H171 H171 H . 0 . ? H172 H172 H . 0 . ? H181 H181 H . 0 . ? H182 H182 H . 0 . ? H183 H183 H . 0 . ? stop_ loop_ _Bond_order _Bond_atom_one_atom_name _Bond_atom_two_atom_name _PDB_bond_atom_one_atom_name _PDB_bond_atom_two_atom_name DOUB C1 O1 ? ? SING C1 O2 ? ? SING C1 C2 ? ? SING O2 HO2 ? ? SING C2 C3 ? ? SING C2 H21 ? ? SING C2 H22 ? ? SING C3 C4 ? ? SING C3 H31 ? ? SING C3 H32 ? ? SING C4 C5 ? ? SING C4 H41 ? ? SING C4 H42 ? ? SING C5 C6 ? ? SING C5 H51 ? ? SING C5 H52 ? ? SING C6 C7 ? ? SING C6 H61 ? ? SING C6 H62 ? ? SING C7 C8 ? ? SING C7 H71 ? ? SING C7 H72 ? ? SING C8 C9 ? ? SING C8 H81 ? ? SING C8 H82 ? ? DOUB C9 C10 ? ? SING C9 H9 ? ? SING C10 C11 ? ? SING C10 H10 ? ? SING C11 C12 ? ? SING C11 H111 ? ? SING C11 H112 ? ? SING C12 C13 ? ? SING C12 H121 ? ? SING C12 H122 ? ? SING C13 C14 ? ? SING C13 H131 ? ? SING C13 H132 ? ? SING C14 C15 ? ? SING C14 H141 ? ? SING C14 H142 ? ? SING C15 C16 ? ? SING C15 H151 ? ? SING C15 H152 ? ? SING C16 C17 ? ? SING C16 H161 ? ? SING C16 H162 ? ? SING C17 C18 ? ? SING C17 H171 ? ? SING C17 H172 ? ? SING C18 H181 ? ? SING C18 H182 ? ? SING C18 H183 ? ? stop_ _Mol_thiol_state . _Sequence_homology_query_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]' stop_ save_ ############################ # Computer software used # ############################ save_NMRView _Saveframe_category software _Name NMRView _Version . loop_ _Vendor _Address _Electronic_address 'Johnson, One Moon Scientific' . . stop_ loop_ _Task 'chemical shift assignment' 'data analysis' 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_3D_HNCO_4 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCO' _Sample_label $sample_1 save_ save_3D_HBHA(CO)NH_5 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HBHA(CO)NH' _Sample_label $sample_1 save_ save_standard_Heteronuclear_15N_NOE_6 _Saveframe_category NMR_applied_experiment _Experiment_name 'standard Heteronuclear 15N NOE' _Sample_label $sample_1 save_ save_standard_Heteronuclear_15N_T1_7 _Saveframe_category NMR_applied_experiment _Experiment_name 'standard Heteronuclear 15N T1' _Sample_label $sample_1 save_ save_standard_Heteronuclear_15N_T2_8 _Saveframe_category NMR_applied_experiment _Experiment_name 'standard Heteronuclear 15N T2' _Sample_label $sample_1 save_ save_NMR_spectrometer_expt _Saveframe_category NMR_applied_experiment _Experiment_name . _BMRB_pulse_sequence_accession_number . _Details . 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 'methyl protons' ppm 0.00 external indirect . . . 0.251449530 TSP H 1 'methyl protons' ppm 0.00 external direct . . . 1 TSP N 15 'methyl 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' '3D HNCO' '3D HBHA(CO)NH' 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 'human liver fatty acid binding protein' _Text_data_format . _Text_data . loop_ _Atom_shift_assign_ID _Residue_author_seq_code _Residue_seq_code _Residue_label _Atom_name _Atom_type _Chem_shift_value _Chem_shift_value_error _Chem_shift_ambiguity_code 1 -2 2 ARG HA H 4.186 0.02 1 2 -2 2 ARG C C 176.659 0.3 1 3 -2 2 ARG CA C 56.476 0.3 1 4 -2 2 ARG CB C 30.701 0.3 1 5 -1 3 GLY H H 8.418 0.02 1 6 -1 3 GLY HA2 H 3.813 0.02 2 7 -1 3 GLY HA3 H 3.813 0.02 2 8 -1 3 GLY C C 173.959 0.3 1 9 -1 3 GLY CA C 45.171 0.3 1 10 -1 3 GLY N N 109.743 0.2 1 11 0 4 SER H H 8.077 0.02 1 12 0 4 SER HA H 4.264 0.02 1 13 0 4 SER C C 174.384 0.3 1 14 0 4 SER CA C 58.512 0.3 1 15 0 4 SER CB C 64.096 0.3 1 16 0 4 SER N N 114.069 0.2 1 17 1 5 MET H H 8.326 0.02 1 18 1 5 MET HA H 4.323 0.02 1 19 1 5 MET C C 175.742 0.3 1 20 1 5 MET CA C 55.235 0.3 1 21 1 5 MET CB C 33.024 0.3 1 22 1 5 MET N N 120.916 0.2 1 23 2 6 SER H H 8.016 0.02 1 24 2 6 SER HA H 4.513 0.02 1 25 2 6 SER C C 175.21 0.3 1 26 2 6 SER CA C 57.459 0.3 1 27 2 6 SER CB C 64.232 0.3 1 28 2 6 SER N N 115.362 0.2 1 29 3 7 PHE H H 9.439 0.02 1 30 3 7 PHE HA H 4.137 0.02 1 31 3 7 PHE C C 177.957 0.3 1 32 3 7 PHE CA C 60.062 0.3 1 33 3 7 PHE CB C 40.768 0.3 1 34 3 7 PHE N N 120.901 0.2 1 35 4 8 SER H H 8.269 0.02 1 36 4 8 SER HA H 4.253 0.02 1 37 4 8 SER C C 174.32 0.3 1 38 4 8 SER CA C 60.223 0.3 1 39 4 8 SER CB C 63.911 0.3 1 40 4 8 SER N N 115.674 0.2 1 41 5 9 GLY H H 8.959 0.02 1 42 5 9 GLY HA2 H 3.697 0.02 2 43 5 9 GLY HA3 H 3.697 0.02 2 44 5 9 GLY C C 170.36 0.3 1 45 5 9 GLY CA C 45.051 0.3 1 46 5 9 GLY N N 109.669 0.2 1 47 6 10 LYS H H 8.007 0.02 1 48 6 10 LYS HA H 4.918 0.02 1 49 6 10 LYS C C 174.796 0.3 1 50 6 10 LYS CA C 55.424 0.3 1 51 6 10 LYS CB C 35.062 0.3 1 52 6 10 LYS N N 117.933 0.2 1 53 7 11 TYR H H 9.276 0.02 1 54 7 11 TYR HA H 4.945 0.02 1 55 7 11 TYR C C 174.545 0.3 1 56 7 11 TYR CA C 56.619 0.3 1 57 7 11 TYR CB C 41.263 0.3 1 58 7 11 TYR N N 119.418 0.2 1 59 8 12 GLN H H 8.896 0.02 1 60 8 12 GLN HA H 4.792 0.02 1 61 8 12 GLN C C 176.17 0.3 1 62 8 12 GLN CA C 53.868 0.3 1 63 8 12 GLN CB C 31.054 0.3 1 64 8 12 GLN N N 122.364 0.2 1 65 9 13 LEU H H 8.596 0.02 1 66 9 13 LEU HA H 4.426 0.02 1 67 9 13 LEU C C 176.075 0.3 1 68 9 13 LEU CA C 57.016 0.3 1 69 9 13 LEU CB C 42.698 0.3 1 70 9 13 LEU N N 133.011 0.2 1 71 10 14 GLN H H 9.968 0.02 1 72 10 14 GLN HA H 4.313 0.02 1 73 10 14 GLN C C 176.136 0.3 1 74 10 14 GLN CA C 56.447 0.3 1 75 10 14 GLN CB C 31.374 0.3 1 76 10 14 GLN N N 124.521 0.2 1 77 11 15 SER H H 7.886 0.02 1 78 11 15 SER HA H 4.484 0.02 1 79 11 15 SER C C 171.538 0.3 1 80 11 15 SER CA C 57.608 0.3 1 81 11 15 SER CB C 64.964 0.3 1 82 11 15 SER N N 109.329 0.2 1 83 12 16 GLN H H 8.438 0.02 1 84 12 16 GLN HA H 5.388 0.02 1 85 12 16 GLN C C 174.445 0.3 1 86 12 16 GLN CA C 54.811 0.3 1 87 12 16 GLN CB C 33.493 0.3 1 88 12 16 GLN N N 115.464 0.2 1 89 13 17 GLU H H 9.081 0.02 1 90 13 17 GLU HA H 4.684 0.02 1 91 13 17 GLU C C 175.908 0.3 1 92 13 17 GLU CA C 54.934 0.3 1 93 13 17 GLU CB C 33.824 0.3 1 94 13 17 GLU N N 120.645 0.2 1 95 14 18 ASN H H 9.172 0.02 1 96 14 18 ASN HA H 4.872 0.02 1 97 14 18 ASN C C 174.39 0.3 1 98 14 18 ASN CA C 54.831 0.3 1 99 14 18 ASN CB C 36.052 0.3 1 100 14 18 ASN N N 114.739 0.2 1 101 15 19 PHE H H 8.388 0.02 1 102 15 19 PHE HA H 3.274 0.02 1 103 15 19 PHE C C 176.602 0.3 1 104 15 19 PHE CA C 62.468 0.3 1 105 15 19 PHE CB C 40.053 0.3 1 106 15 19 PHE N N 116.738 0.2 1 107 16 20 GLU H H 9.399 0.02 1 108 16 20 GLU HA H 3.409 0.02 1 109 16 20 GLU C C 178.144 0.3 1 110 16 20 GLU CA C 61.167 0.3 1 111 16 20 GLU CB C 29.148 0.3 1 112 16 20 GLU N N 116.699 0.2 1 113 17 21 ALA H H 8.154 0.02 1 114 17 21 ALA HA H 3.773 0.02 1 115 17 21 ALA C C 180.629 0.3 1 116 17 21 ALA CA C 54.917 0.3 1 117 17 21 ALA CB C 18.504 0.3 1 118 17 21 ALA N N 118.351 0.2 1 119 18 22 PHE H H 7.721 0.02 1 120 18 22 PHE HA H 3.618 0.02 1 121 18 22 PHE C C 175.854 0.3 1 122 18 22 PHE CA C 62.242 0.3 1 123 18 22 PHE CB C 40.106 0.3 1 124 18 22 PHE N N 116.619 0.2 1 125 19 23 MET H H 8.093 0.02 1 126 19 23 MET HA H 3.876 0.02 1 127 19 23 MET C C 178.84 0.3 1 128 19 23 MET CA C 55.905 0.3 1 129 19 23 MET CB C 30.949 0.3 1 130 19 23 MET N N 112.847 0.2 1 131 20 24 LYS H H 8.056 0.02 1 132 20 24 LYS HA H 3.745 0.02 1 133 20 24 LYS C C 180.087 0.3 1 134 20 24 LYS CA C 59.191 0.3 1 135 20 24 LYS CB C 32.313 0.3 1 136 20 24 LYS N N 118.341 0.2 1 137 21 25 ALA H H 7.234 0.02 1 138 21 25 ALA HA H 3.81 0.02 1 139 21 25 ALA C C 179.84 0.3 1 140 21 25 ALA CA C 54.837 0.3 1 141 21 25 ALA CB C 18.289 0.3 1 142 21 25 ALA N N 121.121 0.2 1 143 22 26 ILE H H 7.141 0.02 1 144 22 26 ILE HA H 4.001 0.02 1 145 22 26 ILE C C 176.128 0.3 1 146 22 26 ILE CA C 61.002 0.3 1 147 22 26 ILE CB C 38.04 0.3 1 148 22 26 ILE N N 108.402 0.2 1 149 23 27 GLY H H 7.226 0.02 1 150 23 27 GLY HA2 H 3.905 0.02 2 151 23 27 GLY HA3 H 3.475 0.02 2 152 23 27 GLY C C 175.288 0.3 1 153 23 27 GLY CA C 45.693 0.3 1 154 23 27 GLY N N 106.851 0.2 1 155 24 28 LEU H H 7.777 0.02 1 156 24 28 LEU CA C 53.673 0.3 1 157 24 28 LEU CB C 42.728 0.3 1 158 24 28 LEU N N 123.703 0.2 1 159 25 29 PRO HA H 4.152 0.02 1 160 25 29 PRO C C 177.809 0.3 1 161 25 29 PRO CA C 63.412 0.3 1 162 25 29 PRO CB C 32.725 0.3 1 163 26 30 GLU H H 8.626 0.02 1 164 26 30 GLU HA H 3.668 0.02 1 165 26 30 GLU C C 178.224 0.3 1 166 26 30 GLU CA C 59.927 0.3 1 167 26 30 GLU CB C 29.42 0.3 1 168 26 30 GLU N N 123.715 0.2 1 169 27 31 GLU H H 9.178 0.02 1 170 27 31 GLU HA H 3.911 0.02 1 171 27 31 GLU C C 179.018 0.3 1 172 27 31 GLU CA C 59.714 0.3 1 173 27 31 GLU CB C 29.137 0.3 1 174 27 31 GLU N N 116.025 0.2 1 175 28 32 LEU H H 7.013 0.02 1 176 28 32 LEU HA H 4.029 0.02 1 177 28 32 LEU C C 179.184 0.3 1 178 28 32 LEU CA C 57.141 0.3 1 179 28 32 LEU CB C 41.498 0.3 1 180 28 32 LEU N N 116.045 0.2 1 181 29 33 ILE H H 7.633 0.02 1 182 29 33 ILE HA H 3.368 0.02 1 183 29 33 ILE C C 178.051 0.3 1 184 29 33 ILE CA C 66.488 0.3 1 185 29 33 ILE CB C 37.783 0.3 1 186 29 33 ILE N N 119.466 0.2 1 187 30 34 GLN H H 8.018 0.02 1 188 30 34 GLN HA H 3.719 0.02 1 189 30 34 GLN C C 178.583 0.3 1 190 30 34 GLN CA C 58.502 0.3 1 191 30 34 GLN CB C 27.894 0.3 1 192 30 34 GLN N N 114.212 0.2 1 193 31 35 LYS H H 7.368 0.02 1 194 31 35 LYS HA H 4.006 0.02 1 195 31 35 LYS C C 179.245 0.3 1 196 31 35 LYS CA C 58.511 0.3 1 197 31 35 LYS CB C 33.814 0.3 1 198 31 35 LYS N N 114.26 0.2 1 199 32 36 GLY H H 8.267 0.02 1 200 32 36 GLY HA2 H 3.344 0.02 2 201 32 36 GLY HA3 H 3.781 0.02 2 202 32 36 GLY C C 175.563 0.3 1 203 32 36 GLY CA C 46.562 0.3 1 204 32 36 GLY N N 103.952 0.2 1 205 33 37 LYS H H 7.508 0.02 1 206 33 37 LYS C C 176.11 0.3 1 207 33 37 LYS CA C 59.021 0.3 1 208 33 37 LYS CB C 31.624 0.3 1 209 33 37 LYS N N 117.65 0.2 1 210 34 38 ASP H H 7.454 0.02 1 211 34 38 ASP HA H 4.694 0.02 1 212 34 38 ASP C C 175.892 0.3 1 213 34 38 ASP CA C 54.276 0.3 1 214 34 38 ASP CB C 41.836 0.3 1 215 34 38 ASP N N 116.084 0.2 1 216 35 39 ILE H H 6.797 0.02 1 217 35 39 ILE C C 176.72 0.3 1 218 35 39 ILE CA C 62.078 0.3 1 219 35 39 ILE CB C 38.625 0.3 1 220 35 39 ILE N N 118.932 0.2 1 221 36 40 LYS H H 8.804 0.02 1 222 36 40 LYS HA H 4.426 0.02 1 223 36 40 LYS C C 175.346 0.3 1 224 36 40 LYS CA C 55.115 0.3 1 225 36 40 LYS CB C 31.353 0.3 1 226 36 40 LYS N N 129.009 0.2 1 227 37 41 GLY H H 7.113 0.02 1 228 37 41 GLY HA2 H 3.95 0.02 2 229 37 41 GLY HA3 H 4.322 0.02 2 230 37 41 GLY C C 171.801 0.3 1 231 37 41 GLY CA C 44.997 0.3 1 232 37 41 GLY N N 111.022 0.2 1 233 38 42 VAL H H 7.389 0.02 1 234 38 42 VAL HA H 4.945 0.02 1 235 38 42 VAL C C 176.15 0.3 1 236 38 42 VAL CA C 60.518 0.3 1 237 38 42 VAL CB C 35.878 0.3 1 238 38 42 VAL N N 115.323 0.2 1 239 39 43 SER H H 8.893 0.02 1 240 39 43 SER HA H 5.502 0.02 1 241 39 43 SER C C 172.761 0.3 1 242 39 43 SER CA C 56.728 0.3 1 243 39 43 SER CB C 65.762 0.3 1 244 39 43 SER N N 122.351 0.2 1 245 40 44 GLU H H 9.378 0.02 1 246 40 44 GLU HA H 5.339 0.02 1 247 40 44 GLU C C 175.176 0.3 1 248 40 44 GLU CA C 54.734 0.3 1 249 40 44 GLU CB C 33.109 0.3 1 250 40 44 GLU N N 123.867 0.2 1 251 41 45 ILE H H 9.384 0.02 1 252 41 45 ILE HA H 4.281 0.02 1 253 41 45 ILE C C 175.773 0.3 1 254 41 45 ILE CA C 60.55 0.3 1 255 41 45 ILE CB C 40.891 0.3 1 256 41 45 ILE N N 123.851 0.2 1 257 42 46 VAL H H 9.053 0.02 1 258 42 46 VAL HA H 3.999 0.02 1 259 42 46 VAL C C 174.147 0.3 1 260 42 46 VAL CA C 62.533 0.3 1 261 42 46 VAL CB C 33.763 0.3 1 262 42 46 VAL N N 127.981 0.2 1 263 43 47 GLN H H 8.503 0.02 1 264 43 47 GLN HA H 4.237 0.02 1 265 43 47 GLN C C 174.685 0.3 1 266 43 47 GLN CA C 53.786 0.3 1 267 43 47 GLN CB C 29.687 0.3 1 268 43 47 GLN N N 130.113 0.2 1 269 44 48 ASN H H 8.962 0.02 1 270 44 48 ASN C C 175.3 0.3 1 271 44 48 ASN CA C 52.015 0.3 1 272 44 48 ASN CB C 39.651 0.3 1 273 44 48 ASN N N 126.113 0.2 1 274 45 49 GLY H H 8.999 0.02 1 275 45 49 GLY HA2 H 3.844 0.02 2 276 45 49 GLY HA3 H 3.435 0.02 2 277 45 49 GLY C C 173.967 0.3 1 278 45 49 GLY CA C 47.53 0.3 1 279 45 49 GLY N N 114.623 0.2 1 280 46 50 LYS H H 8.643 0.02 1 281 46 50 LYS HA H 4.188 0.02 1 282 46 50 LYS C C 174.768 0.3 1 283 46 50 LYS CA C 56.687 0.3 1 284 46 50 LYS CB C 33.513 0.3 1 285 46 50 LYS N N 124.569 0.2 1 286 47 51 HIS H H 7.89 0.02 1 287 47 51 HIS HA H 4.849 0.02 1 288 47 51 HIS C C 173.515 0.3 1 289 47 51 HIS CA C 56.598 0.3 1 290 47 51 HIS CB C 31.869 0.3 1 291 47 51 HIS N N 119.098 0.2 1 292 48 52 PHE H H 8.768 0.02 1 293 48 52 PHE HA H 4.491 0.02 1 294 48 52 PHE C C 173.907 0.3 1 295 48 52 PHE CA C 56.594 0.3 1 296 48 52 PHE CB C 43.481 0.3 1 297 48 52 PHE N N 124.604 0.2 1 298 49 53 LYS H H 8.2 0.02 1 299 49 53 LYS HA H 4.814 0.02 1 300 49 53 LYS C C 175.506 0.3 1 301 49 53 LYS CA C 55.125 0.3 1 302 49 53 LYS CB C 35.633 0.3 1 303 49 53 LYS N N 118.161 0.2 1 304 50 54 PHE H H 9.018 0.02 1 305 50 54 PHE HA H 5.903 0.02 1 306 50 54 PHE C C 173.071 0.3 1 307 50 54 PHE CA C 55.321 0.3 1 308 50 54 PHE CB C 42.958 0.3 1 309 50 54 PHE N N 120.103 0.2 1 310 51 55 THR H H 9.167 0.02 1 311 51 55 THR C C 173.558 0.3 1 312 51 55 THR CA C 60.872 0.3 1 313 51 55 THR CB C 71.67 0.3 1 314 51 55 THR N N 118.616 0.2 1 315 52 56 ILE H H 8.846 0.02 1 316 52 56 ILE CA C 60.567 0.3 1 317 52 56 ILE CB C 40.875 0.3 1 318 52 56 ILE N N 126.147 0.2 1 319 53 57 THR H H 8.27 0.02 1 320 53 57 THR HA H 4.885 0.02 1 321 53 57 THR C C 173.923 0.3 1 322 53 57 THR CA C 62.184 0.3 1 323 53 57 THR CB C 69.974 0.3 1 324 53 57 THR N N 121.087 0.2 1 325 54 58 ALA H H 9.018 0.02 1 326 54 58 ALA HA H 4.345 0.02 1 327 54 58 ALA C C 174.946 0.3 1 328 54 58 ALA CA C 50.583 0.3 1 329 54 58 ALA CB C 19.236 0.3 1 330 54 58 ALA N N 130.98 0.2 1 331 55 59 GLY H H 8.749 0.02 1 332 55 59 GLY C C 175.803 0.3 1 333 55 59 GLY CA C 46.923 0.3 1 334 55 59 GLY N N 111.961 0.2 1 335 56 60 SER H H 9.065 0.02 1 336 56 60 SER HA H 4.131 0.02 1 337 56 60 SER C C 174.004 0.3 1 338 56 60 SER CA C 58.876 0.3 1 339 56 60 SER CB C 63.87 0.3 1 340 56 60 SER N N 121.713 0.2 1 341 57 61 LYS H H 7.979 0.02 1 342 57 61 LYS HA H 4.253 0.02 1 343 57 61 LYS C C 173.694 0.3 1 344 57 61 LYS CA C 55.398 0.3 1 345 57 61 LYS CB C 32.987 0.3 1 346 57 61 LYS N N 123.864 0.2 1 347 58 62 VAL H H 8.113 0.02 1 348 58 62 VAL C C 176.244 0.3 1 349 58 62 VAL CA C 60.918 0.3 1 350 58 62 VAL CB C 34.066 0.3 1 351 58 62 VAL N N 124.788 0.2 1 352 59 63 ILE H H 8.817 0.02 1 353 59 63 ILE HA H 4.153 0.02 1 354 59 63 ILE C C 175.167 0.3 1 355 59 63 ILE CA C 60.677 0.3 1 356 59 63 ILE CB C 40.661 0.3 1 357 59 63 ILE N N 126.179 0.2 1 358 60 64 GLN H H 8.914 0.02 1 359 60 64 GLN HA H 4.852 0.02 1 360 60 64 GLN C C 173.714 0.3 1 361 60 64 GLN CA C 54.667 0.3 1 362 60 64 GLN CB C 31.697 0.3 1 363 60 64 GLN N N 128.599 0.2 1 364 61 65 ASN H H 8.139 0.02 1 365 61 65 ASN HA H 4.891 0.02 1 366 61 65 ASN C C 173.448 0.3 1 367 61 65 ASN CA C 52.619 0.3 1 368 61 65 ASN CB C 47.124 0.3 1 369 61 65 ASN N N 119.828 0.2 1 370 62 66 GLU H H 8.737 0.02 1 371 62 66 GLU HA H 5.141 0.02 1 372 62 66 GLU C C 173.827 0.3 1 373 62 66 GLU CA C 55.217 0.3 1 374 62 66 GLU CB C 34.072 0.3 1 375 62 66 GLU N N 115.853 0.2 1 376 63 67 PHE H H 8.444 0.02 1 377 63 67 PHE HA H 4.818 0.02 1 378 63 67 PHE C C 172.36 0.3 1 379 63 67 PHE CA C 57.268 0.3 1 380 63 67 PHE CB C 41.704 0.3 1 381 63 67 PHE N N 113.258 0.2 1 382 64 68 THR H H 8.834 0.02 1 383 64 68 THR HA H 5.143 0.02 1 384 64 68 THR C C 176.123 0.3 1 385 64 68 THR CA C 61.141 0.3 1 386 64 68 THR CB C 70.254 0.3 1 387 64 68 THR N N 116.356 0.2 1 388 65 69 VAL H H 9.181 0.02 1 389 65 69 VAL HA H 3.877 0.02 1 390 65 69 VAL C C 176.847 0.3 1 391 65 69 VAL CA C 64.641 0.3 1 392 65 69 VAL CB C 32.251 0.3 1 393 65 69 VAL N N 126.156 0.2 1 394 66 70 GLY H H 8.697 0.02 1 395 66 70 GLY HA2 H 3.333 0.02 2 396 66 70 GLY HA3 H 4.142 0.02 2 397 66 70 GLY C C 173.502 0.3 1 398 66 70 GLY CA C 45.561 0.3 1 399 66 70 GLY N N 109.256 0.2 1 400 67 71 GLU H H 7.692 0.02 1 401 67 71 GLU HA H 4.606 0.02 1 402 67 71 GLU C C 175.666 0.3 1 403 67 71 GLU CA C 54.044 0.3 1 404 67 71 GLU CB C 31.954 0.3 1 405 67 71 GLU N N 117.871 0.2 1 406 68 72 GLU H H 8.871 0.02 1 407 68 72 GLU HA H 4.203 0.02 1 408 68 72 GLU C C 175.877 0.3 1 409 68 72 GLU CA C 58.269 0.3 1 410 68 72 GLU CB C 30.021 0.3 1 411 68 72 GLU N N 123.962 0.2 1 412 69 73 CYS H H 9.138 0.02 1 413 69 73 CYS HA H 5.031 0.02 1 414 69 73 CYS C C 171.896 0.3 1 415 69 73 CYS CA C 55.375 0.3 1 416 69 73 CYS CB C 32.264 0.3 1 417 69 73 CYS N N 122.034 0.2 1 418 70 74 GLU H H 8.34 0.02 1 419 70 74 GLU HA H 4.936 0.02 1 420 70 74 GLU C C 175.275 0.3 1 421 70 74 GLU CA C 55.069 0.3 1 422 70 74 GLU CB C 32.046 0.3 1 423 70 74 GLU N N 118.926 0.2 1 424 71 75 LEU H H 8.78 0.02 1 425 71 75 LEU HA H 4.451 0.02 1 426 71 75 LEU C C 175.374 0.3 1 427 71 75 LEU CA C 52.807 0.3 1 428 71 75 LEU CB C 44 0.3 1 429 71 75 LEU N N 123.851 0.2 1 430 72 76 GLU H H 9.559 0.02 1 431 72 76 GLU HA H 4.353 0.02 1 432 72 76 GLU C C 176.385 0.3 1 433 72 76 GLU CA C 55.974 0.3 1 434 72 76 GLU CB C 30.728 0.3 1 435 72 76 GLU N N 123.411 0.2 1 436 73 77 THR H H 8.039 0.02 1 437 73 77 THR CA C 60.814 0.3 1 438 73 77 THR CB C 70.583 0.3 1 439 73 77 THR N N 111.046 0.2 1 440 75 79 THR HA H 4.367 0.02 1 441 75 79 THR C C 175.61 0.3 1 442 75 79 THR CA C 61.791 0.3 1 443 75 79 THR CB C 69.248 0.3 1 444 76 80 GLY H H 7.493 0.02 1 445 76 80 GLY HA2 H 3.561 0.02 1 446 76 80 GLY HA3 H 4.211 0.02 1 447 76 80 GLY C C 173.611 0.3 1 448 76 80 GLY CA C 44.937 0.3 1 449 76 80 GLY N N 109.005 0.2 1 450 77 81 GLU H H 7.143 0.02 1 451 77 81 GLU HA H 3.969 0.02 1 452 77 81 GLU CA C 56.378 0.3 1 453 77 81 GLU CB C 30.39 0.3 1 454 77 81 GLU N N 119.48 0.2 1 455 78 82 LYS H H 8.508 0.02 1 456 78 82 LYS HA H 5.128 0.02 1 457 78 82 LYS C C 176.875 0.3 1 458 78 82 LYS CA C 54.752 0.3 1 459 78 82 LYS CB C 33.473 0.3 1 460 78 82 LYS N N 123.257 0.2 1 461 79 83 VAL H H 8.751 0.02 1 462 79 83 VAL CA C 59.303 0.3 1 463 79 83 VAL CB C 34.426 0.3 1 464 79 83 VAL N N 117.958 0.2 1 465 80 84 LYS HA H 5.217 0.02 1 466 80 84 LYS C C 176.536 0.3 1 467 80 84 LYS CA C 55.195 0.3 1 468 80 84 LYS CB C 33.404 0.3 1 469 81 85 THR H H 8.44 0.02 1 470 81 85 THR HA H 4.592 0.02 1 471 81 85 THR C C 170.844 0.3 1 472 81 85 THR CA C 59.475 0.3 1 473 81 85 THR CB C 69.131 0.3 1 474 81 85 THR N N 117.131 0.2 1 475 82 86 VAL H H 8.222 0.02 1 476 82 86 VAL HA H 4.125 0.02 1 477 82 86 VAL C C 175.379 0.3 1 478 82 86 VAL CA C 61.453 0.3 1 479 82 86 VAL CB C 35.312 0.3 1 480 82 86 VAL N N 119.195 0.2 1 481 83 87 VAL H H 9.823 0.02 1 482 83 87 VAL HA H 4.006 0.02 1 483 83 87 VAL C C 174.944 0.3 1 484 83 87 VAL CA C 61.392 0.3 1 485 83 87 VAL CB C 31.539 0.3 1 486 83 87 VAL N N 132.682 0.2 1 487 84 88 GLN H H 8.623 0.02 1 488 84 88 GLN HA H 4.728 0.02 1 489 84 88 GLN C C 174.85 0.3 1 490 84 88 GLN CA C 53.706 0.3 1 491 84 88 GLN CB C 31.186 0.3 1 492 84 88 GLN N N 123.225 0.2 1 493 85 89 LEU H H 8.204 0.02 1 494 85 89 LEU HA H 5.011 0.02 1 495 85 89 LEU C C 176.88 0.3 1 496 85 89 LEU CA C 54.319 0.3 1 497 85 89 LEU CB C 44.199 0.3 1 498 85 89 LEU N N 121.93 0.2 1 499 86 90 GLU H H 8.855 0.02 1 500 86 90 GLU HA H 4.377 0.02 1 501 86 90 GLU C C 175.993 0.3 1 502 86 90 GLU CA C 55.431 0.3 1 503 86 90 GLU CB C 31.698 0.3 1 504 86 90 GLU N N 126.836 0.2 1 505 87 91 GLY H H 8.284 0.02 1 506 87 91 GLY HA2 H 3.57 0.02 2 507 87 91 GLY HA3 H 3.932 0.02 2 508 87 91 GLY C C 173.79 0.3 1 509 87 91 GLY CA C 45.881 0.3 1 510 87 91 GLY N N 111.477 0.2 1 511 88 92 ASP H H 8.351 0.02 1 512 88 92 ASP HA H 4.609 0.02 1 513 88 92 ASP C C 177.696 0.3 1 514 88 92 ASP CA C 54.865 0.3 1 515 88 92 ASP CB C 41.806 0.3 1 516 88 92 ASP N N 116.824 0.2 1 517 89 93 ASN H H 7.978 0.02 1 518 89 93 ASN HA H 4.683 0.02 1 519 89 93 ASN C C 174.041 0.3 1 520 89 93 ASN CA C 53.409 0.3 1 521 89 93 ASN CB C 39.579 0.3 1 522 89 93 ASN N N 113.376 0.2 1 523 90 94 LYS H H 7.297 0.02 1 524 90 94 LYS HA H 5.63 0.02 1 525 90 94 LYS C C 174.757 0.3 1 526 90 94 LYS CA C 55.032 0.3 1 527 90 94 LYS CB C 36.153 0.3 1 528 90 94 LYS N N 117.153 0.2 1 529 91 95 LEU H H 8.737 0.02 1 530 91 95 LEU HA H 4.997 0.02 1 531 91 95 LEU C C 176.558 0.3 1 532 91 95 LEU CA C 52.886 0.3 1 533 91 95 LEU CB C 44.042 0.3 1 534 91 95 LEU N N 122.728 0.2 1 535 92 96 VAL H H 8.985 0.02 1 536 92 96 VAL HA H 4.896 0.02 1 537 92 96 VAL C C 175.102 0.3 1 538 92 96 VAL CA C 60.27 0.3 1 539 92 96 VAL CB C 35.445 0.3 1 540 92 96 VAL N N 119.867 0.2 1 541 93 97 THR H H 8.611 0.02 1 542 93 97 THR HA H 4.459 0.02 1 543 93 97 THR C C 170.582 0.3 1 544 93 97 THR CA C 61.253 0.3 1 545 93 97 THR CB C 69.405 0.3 1 546 93 97 THR N N 118.341 0.2 1 547 94 98 ALA H H 8.049 0.02 1 548 94 98 ALA CA C 51.246 0.3 1 549 94 98 ALA CB C 22.169 0.3 1 550 94 98 ALA N N 124.383 0.2 1 551 95 99 PHE H H 8.104 0.02 1 552 95 99 PHE N N 117.175 0.2 1 553 97 101 ASN HA H 3.698 0.02 1 554 97 101 ASN C C 173.579 0.3 1 555 97 101 ASN CA C 58.484 0.3 1 556 97 101 ASN CB C 37.319 0.3 1 557 98 102 ILE H H 8.339 0.02 1 558 98 102 ILE C C 176.017 0.3 1 559 98 102 ILE CA C 60.708 0.3 1 560 98 102 ILE CB C 39.874 0.3 1 561 98 102 ILE N N 120.511 0.2 1 562 99 103 LYS H H 7.939 0.02 1 563 99 103 LYS C C 175.144 0.3 1 564 99 103 LYS CA C 55.271 0.3 1 565 99 103 LYS CB C 34.97 0.3 1 566 99 103 LYS N N 124.866 0.2 1 567 100 104 SER H H 8.624 0.02 1 568 100 104 SER HA H 5.125 0.02 1 569 100 104 SER C C 173.608 0.3 1 570 100 104 SER CA C 57.079 0.3 1 571 100 104 SER CB C 64.944 0.3 1 572 100 104 SER N N 117.884 0.2 1 573 101 105 VAL H H 8.532 0.02 1 574 101 105 VAL HA H 4.555 0.02 1 575 101 105 VAL C C 174.811 0.3 1 576 101 105 VAL CA C 61.516 0.3 1 577 101 105 VAL CB C 35.196 0.3 1 578 101 105 VAL N N 127.069 0.2 1 579 102 106 THR H H 9.321 0.02 1 580 102 106 THR HA H 4.854 0.02 1 581 102 106 THR C C 173.479 0.3 1 582 102 106 THR CA C 61.735 0.3 1 583 102 106 THR CB C 69.847 0.3 1 584 102 106 THR N N 128.062 0.2 1 585 103 107 GLU H H 9.001 0.02 1 586 103 107 GLU HA H 5.199 0.02 1 587 103 107 GLU C C 173.957 0.3 1 588 103 107 GLU CA C 54.548 0.3 1 589 103 107 GLU CB C 33.784 0.3 1 590 103 107 GLU N N 124.921 0.2 1 591 104 108 LEU H H 8.339 0.02 1 592 104 108 LEU HA H 4.673 0.02 1 593 104 108 LEU C C 175.216 0.3 1 594 104 108 LEU CA C 53.655 0.3 1 595 104 108 LEU CB C 45.313 0.3 1 596 104 108 LEU N N 127.102 0.2 1 597 105 109 ASN H H 8.796 0.02 1 598 105 109 ASN C C 175.134 0.3 1 599 105 109 ASN CA C 52.508 0.3 1 600 105 109 ASN CB C 40.306 0.3 1 601 105 109 ASN N N 125.161 0.2 1 602 106 110 GLY H H 8.769 0.02 1 603 106 110 GLY HA2 H 3.393 0.02 2 604 106 110 GLY HA3 H 3.815 0.02 2 605 106 110 GLY C C 173.169 0.3 1 606 106 110 GLY CA C 47.841 0.3 1 607 106 110 GLY N N 114.193 0.2 1 608 107 111 ASP H H 8.719 0.02 1 609 107 111 ASP HA H 4.612 0.02 1 610 107 111 ASP C C 174.134 0.3 1 611 107 111 ASP CA C 53.964 0.3 1 612 107 111 ASP CB C 41.948 0.3 1 613 107 111 ASP N N 125.676 0.2 1 614 108 112 ILE H H 7.764 0.02 1 615 108 112 ILE HA H 4.898 0.02 1 616 108 112 ILE C C 175.983 0.3 1 617 108 112 ILE CA C 58.813 0.3 1 618 108 112 ILE CB C 38.947 0.3 1 619 108 112 ILE N N 119.044 0.2 1 620 109 113 ILE H H 8.729 0.02 1 621 109 113 ILE HA H 4.972 0.02 1 622 109 113 ILE C C 174.067 0.3 1 623 109 113 ILE CA C 58.87 0.3 1 624 109 113 ILE CB C 41.348 0.3 1 625 109 113 ILE N N 127.274 0.2 1 626 110 114 THR H H 8.788 0.02 1 627 110 114 THR HA H 4.992 0.02 1 628 110 114 THR C C 173.543 0.3 1 629 110 114 THR CA C 60.538 0.3 1 630 110 114 THR CB C 70.269 0.3 1 631 110 114 THR N N 121.185 0.2 1 632 111 115 ASN H H 9.213 0.02 1 633 111 115 ASN HA H 5.356 0.02 1 634 111 115 ASN C C 174.388 0.3 1 635 111 115 ASN CA C 52.993 0.3 1 636 111 115 ASN CB C 43.838 0.3 1 637 111 115 ASN N N 125.765 0.2 1 638 112 116 THR H H 9.093 0.02 1 639 112 116 THR HA H 4.603 0.02 1 640 112 116 THR C C 173.649 0.3 1 641 112 116 THR CA C 62.073 0.3 1 642 112 116 THR CB C 69.679 0.3 1 643 112 116 THR N N 123.458 0.2 1 644 113 117 MET H H 9.083 0.02 1 645 113 117 MET HA H 5.426 0.02 1 646 113 117 MET C C 174.098 0.3 1 647 113 117 MET CA C 54.251 0.3 1 648 113 117 MET CB C 36.401 0.3 1 649 113 117 MET N N 126.85 0.2 1 650 114 118 THR H H 8.867 0.02 1 651 114 118 THR HA H 5.186 0.02 1 652 114 118 THR C C 174.159 0.3 1 653 114 118 THR CA C 61.151 0.3 1 654 114 118 THR CB C 70.841 0.3 1 655 114 118 THR N N 116.381 0.2 1 656 115 119 LEU H H 8.565 0.02 1 657 115 119 LEU HA H 4.515 0.02 1 658 115 119 LEU C C 176.309 0.3 1 659 115 119 LEU CA C 54.389 0.3 1 660 115 119 LEU CB C 44.807 0.3 1 661 115 119 LEU N N 127.795 0.2 1 662 116 120 GLY H H 9.068 0.02 1 663 116 120 GLY HA2 H 3.435 0.02 2 664 116 120 GLY HA3 H 3.741 0.02 2 665 116 120 GLY C C 174.496 0.3 1 666 116 120 GLY CA C 47.475 0.3 1 667 116 120 GLY N N 116.456 0.2 1 668 117 121 ASP H H 8.5 0.02 1 669 117 121 ASP HA H 4.398 0.02 1 670 117 121 ASP C C 175.818 0.3 1 671 117 121 ASP CA C 54.221 0.3 1 672 117 121 ASP CB C 40.886 0.3 1 673 117 121 ASP N N 125.103 0.2 1 674 118 122 ILE H H 8.275 0.02 1 675 118 122 ILE HA H 3.771 0.02 1 676 118 122 ILE C C 174.547 0.3 1 677 118 122 ILE CA C 62.126 0.3 1 678 118 122 ILE CB C 39.049 0.3 1 679 118 122 ILE N N 121.229 0.2 1 680 119 123 VAL H H 8.19 0.02 1 681 119 123 VAL HA H 4.378 0.02 1 682 119 123 VAL C C 175.406 0.3 1 683 119 123 VAL CA C 61.929 0.3 1 684 119 123 VAL CB C 31.815 0.3 1 685 119 123 VAL N N 126.218 0.2 1 686 120 124 PHE H H 9.317 0.02 1 687 120 124 PHE HA H 5.417 0.02 1 688 120 124 PHE C C 174.037 0.3 1 689 120 124 PHE CA C 53.705 0.3 1 690 120 124 PHE CB C 40.327 0.3 1 691 120 124 PHE N N 130.052 0.2 1 692 121 125 LYS H H 8.02 0.02 1 693 121 125 LYS HA H 5.096 0.02 1 694 121 125 LYS C C 174.37 0.3 1 695 121 125 LYS CA C 55.001 0.3 1 696 121 125 LYS CB C 36.883 0.3 1 697 121 125 LYS N N 129.59 0.2 1 698 122 126 ARG H H 8.702 0.02 1 699 122 126 ARG HA H 4.613 0.02 1 700 122 126 ARG C C 175.172 0.3 1 701 122 126 ARG CA C 55.021 0.3 1 702 122 126 ARG CB C 35.714 0.3 1 703 122 126 ARG N N 124.287 0.2 1 704 123 127 ILE H H 8.586 0.02 1 705 123 127 ILE C C 175.328 0.3 1 706 123 127 ILE CA C 61.21 0.3 1 707 123 127 ILE CB C 40.047 0.3 1 708 123 127 ILE N N 123.074 0.2 1 709 124 128 SER H H 9.08 0.02 1 710 124 128 SER HA H 5.192 0.02 1 711 124 128 SER C C 170.98 0.3 1 712 124 128 SER CA C 58.279 0.3 1 713 124 128 SER CB C 65.763 0.3 1 714 124 128 SER N N 121.726 0.2 1 715 125 129 LYS H H 8.391 0.02 1 716 125 129 LYS HA H 5.348 0.02 1 717 125 129 LYS C C 175.596 0.3 1 718 125 129 LYS CA C 54.414 0.3 1 719 125 129 LYS CB C 37.112 0.3 1 720 125 129 LYS N N 121.279 0.2 1 721 126 130 ARG H H 9.204 0.02 1 722 126 130 ARG HA H 3.884 0.02 1 723 126 130 ARG C C 175.667 0.3 1 724 126 130 ARG CA C 57.321 0.3 1 725 126 130 ARG CB C 31.388 0.3 1 726 126 130 ARG N N 128.203 0.2 1 727 127 131 ILE H H 8.589 0.02 1 728 127 131 ILE HA H 3.946 0.02 1 729 127 131 ILE C C 175.604 0.3 1 730 127 131 ILE CA C 61.164 0.3 1 731 127 131 ILE CB C 39.374 0.3 1 732 127 131 ILE N N 125.1 0.2 1 733 128 132 LEU H H 8.156 0.02 1 734 128 132 LEU HA H 4.235 0.02 1 735 128 132 LEU C C 176.521 0.3 1 736 128 132 LEU CA C 54.829 0.3 1 737 128 132 LEU CB C 42.587 0.3 1 738 128 132 LEU N N 125.926 0.2 1 739 129 133 VAL H H 7.939 0.02 1 740 129 133 VAL CA C 59.664 0.3 1 741 129 133 VAL CB C 32.731 0.3 1 742 129 133 VAL N N 121.805 0.2 1 743 130 134 PRO HA H 4.483 0.02 1 744 130 134 PRO C C 175.263 0.3 1 745 130 134 PRO CA C 63.251 0.3 1 746 130 134 PRO CB C 34.184 0.3 1 747 131 135 ARG H H 7.834 0.02 1 748 131 135 ARG CA C 57.841 0.3 1 749 131 135 ARG CB C 31.082 0.3 1 750 131 135 ARG N N 124.04 0.2 1 stop_ save_ save_heteronuclear_T1_list_1 _Saveframe_category T1_relaxation _Details . loop_ _Sample_label $sample_1 stop_ _Sample_conditions_label $sample_conditions_1 _Spectrometer_frequency_1H 600 _T1_coherence_type Sz _T1_value_units s _Mol_system_component_name 'human liver fatty acid binding protein' _Text_data_format . _Text_data . loop_ _T1_ID _Residue_seq_code _Residue_label _Atom_name _T1_value _T1_value_error 1 5 MET N 0.693866223 0.041838034 2 6 SER N 0.631951466 0.041094417 3 7 PHE N 0.687568757 0.023448439 4 8 SER N 0.732761779 0.031088816 5 9 GLY N 0.697155605 0.025078938 6 10 LYS N 0.767341928 0.015309154 7 11 TYR N 0.741949844 0.019377233 8 13 LEU N 0.637877145 0.02107676 9 14 GLN N 0.692520776 0.026856761 10 15 SER N 0.757002271 0.024813171 11 16 GLN N 0.694685655 0.033202065 12 17 GLU N 0.763300511 0.017362305 13 18 ASN N 0.661069611 0.03823864 14 19 PHE N 0.659022011 0.015722022 15 20 GLU N 0.704473406 0.00863532 16 21 ALA N 0.686718857 0.010752088 17 22 PHE N 0.669120107 0.01916249 18 23 MET N 0.704870656 0.021712023 19 24 LYS N 0.674627268 0.013699171 20 25 ALA N 0.697495989 0.008562412 21 26 ILE N 0.721656924 0.021196101 22 27 GLY N 0.663790242 0.016038476 23 28 LEU N 0.649097754 0.013482493 24 30 GLU N 0.72301352 0.013382363 25 31 GLU N 0.658154535 0.016980162 26 32 LEU N 0.743162901 0.027559326 27 33 ILE N 0.789265983 0.025852043 28 34 GLN N 0.731903681 0.014142031 29 35 LYS N 0.720980534 0.018557322 30 37 LYS N 0.71999424 0.027785795 31 39 ILE N 0.757575758 0.021464646 32 48 ASN N 0.751089079 0.02820674 33 50 LYS N 0.749793807 0.041489678 34 51 HIS N 0.729767204 0.032752451 35 52 PHE N 0.732118017 0.025942245 36 53 LYS N 0.738116327 0.029910383 37 54 PHE N 0.71864894 0.021226354 38 55 THR N 0.724060531 0.040106169 39 56 ILE N 0.71372493 0.026539911 40 58 ALA N 0.674718305 0.017617973 41 59 GLY N 0.730673681 0.035343123 42 62 VAL N 0.7390983 0.018354548 43 64 GLN N 0.722021661 0.017828983 44 65 ASN N 0.727907992 0.028241007 45 66 GLU N 0.749007565 0.017503585 46 67 PHE N 0.738661545 0.024934874 47 69 VAL N 0.710378632 0.028713891 48 70 GLY N 0.711642471 0.020206757 49 71 GLU N 0.691228313 0.02102305 50 72 GLU N 0.715870857 0.024752353 51 73 CYS N 0.689607613 0.016977444 52 74 GLU N 0.754716981 0.018227127 53 75 LEU N 0.743162901 0.03037601 54 76 GLU N 0.77675936 0.022324139 55 77 THR N 0.724900326 0.031108445 56 82 LYS N 0.819000819 0.034812566 57 83 VAL N 0.741179958 0.015216932 58 86 VAL N 0.755515261 0.029225129 59 87 VAL N 0.681802686 0.029797199 60 88 GLN N 0.705119165 0.013523651 61 89 LEU N 0.738116327 0.013729356 62 90 GLU N 0.706364343 0.020357184 63 91 GLY N 0.764701384 0.027308675 64 92 ASP N 0.715512307 0.025802676 65 93 ASN N 0.698421567 0.019462928 66 94 LYS N 0.724637681 0.028355388 67 95 LEU N 0.716281069 0.020214508 68 96 VAL N 0.760745531 0.011574675 69 97 THR N 0.69798283 0.024066694 70 98 ALA N 0.765931373 0.017834186 71 102 ILE N 0.708466171 0.029663727 72 103 LYS N 0.71761751 0.033988343 73 104 SER N 0.706813684 0.017435537 74 105 VAL N 0.712809181 0.029368002 75 107 GLU N 0.736485491 0.019418309 76 108 LEU N 0.730513551 0.022626762 77 109 ASN N 0.742942051 0.031627474 78 111 ASP N 0.691419484 0.025337228 79 112 ILE N 0.718132855 0.022175736 80 113 ILE N 0.674900452 0.021681354 81 114 THR N 0.743660296 0.029753048 82 115 ASN N 0.699692135 0.025457592 83 116 THR N 0.723693733 0.02681511 84 117 MET N 0.704622322 0.025519721 85 119 LEU N 0.738552437 0.027709353 86 120 GLY N 0.706813684 0.030424762 87 121 ASP N 0.778210117 0.027615861 88 123 VAL N 0.736431254 0.012907478 89 124 PHE N 0.710328172 0.016953421 90 125 LYS N 0.77597579 0.037994935 91 126 ARG N 0.729767204 0.02593568 92 127 ILE N 0.772141147 0.030764021 93 129 LYS N 0.71540993 0.018578753 94 130 ARG N 0.678012069 0.021513977 95 131 ILE N 0.643749195 0.019850384 96 132 LEU N 0.698177756 0.018669418 97 133 VAL N 0.743273376 0.032042408 98 135 ARG N 0.678380028 0.02535699 stop_ save_ save_heteronuclear_T2_list_1 _Saveframe_category T2_relaxation _Details . loop_ _Sample_label $sample_1 stop_ _Sample_conditions_label $sample_conditions_1 _Spectrometer_frequency_1H 600 _T2_coherence_type S(+,-) _T2_value_units s _Mol_system_component_name 'human liver fatty acid binding protein' _Text_data_format . _Text_data . loop_ _T2_ID _Residue_seq_code _Residue_label _Atom_name _T2_value _T2_value_error _Rex_value _Rex_error 1 3 GLY N 0.358795881 0.019850857 . . 2 4 SER N 0.290115756 0.01327316 . . 3 5 MET N 0.191964371 0.006017657 . . 4 6 SER N 0.137234451 0.002423845 . . 5 7 PHE N 0.092699884 0.001526164 . . 6 8 SER N 0.088408731 0.001259956 . . 7 9 GLY N 0.094417116 0.002369498 . . 8 10 LYS N 0.088443918 0.000741557 . . 9 11 TYR N 0.093949643 0.001687634 . . 10 13 LEU N 0.08567879 0.002236024 . . 11 14 GLN N 0.09324444 0.001018129 . . 12 15 SER N 0.099354198 0.003281206 . . 13 16 GLN N 0.086457325 0.001034522 . . 14 17 GLU N 0.093592647 0.001682716 . . 15 18 ASN N 0.089979035 0.001450034 . . 16 19 PHE N 0.090495281 0.00230941 . . 17 20 GLU N 0.09088513 0.000626116 . . 18 21 ALA N 0.090805078 0.000803942 . . 19 22 PHE N 0.083905992 0.001472109 . . 20 23 MET N 0.093746192 0.004347596 . . 21 24 LYS N 0.082835629 0.000981915 . . 22 25 ALA N 0.088756346 0.001035916 . . 23 26 ILE N 0.061838712 0.001487929 . . 24 27 GLY N 0.089446238 0.004941189 . . 25 28 LEU N 0.088888099 0.001362149 . . 26 30 GLU N 0.098262715 0.002668797 . . 27 31 GLU N 0.091897406 0.000955989 . . 28 32 LEU N 0.089479053 0.001531644 . . 29 33 ILE N 0.078173248 0.000791382 . . 30 34 GLN N 0.089593693 0.001350949 . . 31 35 LYS N 0.09778421 0.001211474 . . 32 36 GLY N 0.092611458 0.001330274 . . 33 37 LYS N 0.082167918 0.000721742 . . 34 38 ASP N 0.097900044 0.001220096 . . 35 39 ILE N 0.097119437 0.001236559 . . 36 42 VAL N 0.086123001 0.001829074 . . 37 47 GLN N 0.094118533 0.004321964 . . 38 48 ASN N 0.08907813 0.000799839 . . 39 50 LYS N 0.102077272 0.00251429 . . 40 51 HIS N 0.079814193 0.000913502 . . 41 52 PHE N 0.094716702 0.001210222 . . 42 53 LYS N 0.088826513 0.001215872 . . 43 54 PHE N 0.073050288 0.001460024 . . 44 55 THR N 0.067058737 0.001116574 . . 45 56 ILE N 0.078251547 0.001376519 . . 46 59 GLY N 0.098794705 0.002399105 . . 47 61 LYS N 0.060047077 0.00127604 . . 48 65 ASN N 0.087695451 0.001278929 . . 49 66 GLU N 0.07840616 0.001270079 . . 50 67 PHE N 0.081827704 0.001650508 . . 51 69 VAL N 0.077007785 0.002245173 . . 52 70 GLY N 0.095575796 0.004024763 . . 53 71 GLU N 0.091626275 0.002200428 . . 54 72 GLU N 0.102822477 0.000776019 . . 55 73 CYS N 0.093632959 0.001080111 . . 56 74 GLU N 0.0858487 0.000915354 . . 57 75 LEU N 0.101306858 0.003182581 . . 58 76 GLU N 0.087753168 0.001911294 . . 59 77 THR N 0.083877137 0.00112777 . . 60 80 GLY N 0.088723272 0.001732587 . . 61 81 GLU N 0.104037703 0.001367051 . . 62 83 VAL N 0.059664447 0.00096187 . . 63 86 VAL N 0.098531875 0.001159199 . . 64 87 VAL N 0.100060036 0.003334 . . 65 88 GLN N 0.085786837 0.002257858 . . 66 89 LEU N 0.093426511 0.002177764 . . 67 90 GLU N 0.094769662 0.003094054 . . 68 91 GLY N 0.121228285 0.002113328 . . 69 92 ASP N 0.117735707 0.002888778 . . 70 93 ASN N 0.110078816 0.001292921 . . 71 94 LYS N 0.087223502 0.001657009 . . 72 95 LEU N 0.102530452 0.004675957 . . 73 96 VAL N 0.085627435 0.001672442 . . 74 97 THR N 0.081544119 0.001349172 . . 75 98 ALA N 0.104215518 0.001042644 . . 76 103 LYS N 0.073804006 0.001860706 . . 77 104 SER N 0.062910095 0.000941532 . . 78 105 VAL N 0.080419468 0.001850292 . . 79 107 GLU N 0.094852362 0.001716622 . . 80 108 LEU N 0.084243159 0.001591127 . . 81 109 ASN N 0.099721776 0.002148992 . . 82 110 GLY N 0.103575424 0.003459738 . . 83 111 ASP N 0.099112939 0.003873357 . . 84 112 ILE N 0.088643052 0.001336576 . . 85 113 ILE N 0.084231806 0.003590069 . . 86 114 THR N 0.085658974 0.000890034 . . 87 115 ASN N 0.088248012 0.001802076 . . 88 116 THR N 0.085711837 0.001029982 . . 89 117 MET N 0.07888924 0.001526628 . . 90 120 GLY N 0.08933836 0.001596269 . . 91 121 ASP N 0.095807465 0.001404398 . . 92 123 VAL N 0.091138594 0.001921234 . . 93 124 PHE N 0.092600309 0.008020884 . . 94 125 LYS N 0.07862377 0.005209934 . . 95 126 ARG N 0.097076069 0.001977106 . . 96 127 ILE N 0.085094796 0.001530774 . . 97 129 LYS N 0.090556743 0.001684388 . . 98 130 ARG N 0.085399284 0.003755914 . . 99 131 ILE N 0.096859805 0.003293958 . . 100 132 LEU N 0.111310233 0.000970134 . . 101 133 VAL N 0.194912777 0.006010175 . . 102 135 ARG N 0.322424633 0.008316612 . . stop_ save_ save_heteronuclear_noe_list_1 _Saveframe_category heteronuclear_NOE _Details . loop_ _Experiment_label 'standard Heteronuclear 15N NOE' stop_ loop_ _Sample_label . stop_ _Sample_conditions_label $sample_conditions_1 _Spectrometer_frequency_1H 600 _Mol_system_component_name 'human liver fatty acid binding protein' _Atom_one_atom_name N _Atom_two_atom_name H _Heteronuclear_NOE_value_type 'peak integral' _NOE_reference_value 1 _NOE_reference_description . _Text_data_format . _Text_data . loop_ _Residue_seq_code _Residue_label _Heteronuclear_NOE_value _Heteronuclear_NOE_value_error 3 GLY -0.49425 0.01849 4 SER -0.05776 0.00073 5 MET 0.27342 0.0071 6 SER 0.51196 0.00418 7 PHE 0.78945 0.00244 8 SER 0.84698 0.00111 9 GLY 0.84885 0.00101 10 LYS 0.80475 0.01775 11 TYR 0.8105 0.00786 13 LEU 0.79127 0.00953 14 GLN 0.82795 0.00417 15 SER 0.7733 0.00246 16 GLN 0.8023 0.00826 17 GLU 0.74635 0.01176 18 ASN 0.77648 0.01706 19 PHE 0.82856 0.01262 20 GLU 0.7963 0.0104 21 ALA 0.7796 0.01327 22 PHE 0.82678 0.00396 23 MET 0.82034 0.00088 24 LYS 0.81294 0.03669 25 ALA 0.80212 0.00097 26 ILE 0.80158 0.0113 27 GLY 0.80531 0.00706 28 LEU 0.76616 0.00955 30 GLU 0.76345 0.00185 31 GLU 0.74263 0.0129 32 LEU 0.78319 0.02209 33 ILE 0.76699 0.01921 34 GLN 0.76637 0.01651 35 LYS 0.77316 0.00745 36 GLY 0.74294 0.00439 37 LYS 0.80399 0.01451 38 ASP 0.70031 0.01344 39 ILE 0.71979 0.0095 40 LYS 0.75989 0.01985 41 GLY 0.51851 0.01981 42 VAL 0.76047 0.00629 47 GLN 0.79687 0.01466 48 ASN 0.80712 0.01062 49 GLY 0.85572 0.0768 50 LYS 0.79922 0.01607 51 HIS 0.82368 0.00822 52 PHE 0.80613 0.01294 53 LYS 0.80121 0.02324 54 PHE 0.81034 0.01264 55 THR 0.79726 0.01577 56 ILE 0.79038 0.02399 57 THR 0.81322 0.01265 58 ALA 0.78467 0.03228 59 GLY 0.77239 0.03583 61 LYS 0.80245 0.01287 62 VAL 0.71413 0.02777 64 GLN 0.7515 0.02836 65 ASN 0.78387 0.00962 66 GLU 0.77803 0.00042 67 PHE 0.80666 0.00203 69 VAL 0.81226 0.01734 70 GLY 0.8563 0.03508 71 GLU 0.83024 0.00209 72 GLU 0.71018 0.00143 73 CYS 0.77289 0.00207 74 GLU 0.7758 8.28E-05 75 LEU 0.76979 0.00536 76 GLU 0.80237 0.04007 77 THR 0.79496 0.02558 80 GLY 0.74008 0.02423 81 GLU 0.68975 0.01059 82 LYS 0.72715 0.07048 83 VAL 0.73456 0.00931 85 THR 0.85114 0.0258 86 VAL 0.78109 0.00263 87 VAL 0.80245 0.02096 88 GLN 0.82306 0.02056 89 LEU 0.79827 0.01672 90 GLU 0.67633 0.0187 91 GLY 0.58974 0.01126 92 ASP 0.64503 0.00495 93 ASN 0.73636 0.0047 94 LYS 0.79337 0.00706 95 LEU 0.78304 0.01643 96 VAL 0.82255 0.02176 97 THR 0.82115 0.00621 98 ALA 0.76965 0.00246 99 PHE 0.85866 0.07397 102 ILE 0.79126 0.01089 103 LYS 0.78249 0.01221 104 SER 0.7961 0.00107 105 VAL 0.81964 0.00521 107 GLU 0.82833 0.01714 108 LEU 0.79348 0.02619 109 ASN 0.77309 0.01575 110 GLY 0.79832 0.02497 111 ASP 0.79292 0.02013 112 ILE 0.81333 0.02707 113 ILE 0.80737 0.0064 114 THR 0.78923 0.00364 115 ASN 0.82009 0.01802 116 THR 0.81719 0.00363 117 MET 0.81519 0.01537 119 LEU 0.80851 0.02401 120 GLY 0.81192 0.00783 121 ASP 0.80068 0.01108 123 VAL 0.77154 0.0095 124 PHE 0.82379 0.01086 125 LYS 0.82888 0.01705 126 ARG 0.79864 0.01307 127 ILE 0.80355 0.0149 129 LYS 0.85188 0.02396 130 ARG 0.7688 0.01018 131 ILE 0.79 0.00625 132 LEU 0.57356 0.006722 133 VAL 0.10716 0.00245 135 ARG -0.2752 0.00634 stop_ save_