data_19189 ####################### # 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 19189 _BMRB_flat_file_name bmr19189.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" 264 "13C chemical shifts" 364 "15N chemical shifts" 125 "T1 relaxation values" 91 "T2 relaxation values" 111 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' 19188 'hL-FABP in complex with oleate' 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' stop_ save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name hL-FABP _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label 'human liver fatty acid binding protein' $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 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 19188 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_ #################### # 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 -1 3 GLY H H 8.519 0.02 1 2 -1 3 GLY HA2 H 3.945 0.02 2 3 -1 3 GLY HA3 H 3.945 0.02 2 4 -1 3 GLY C C 173.8 0.3 1 5 -1 3 GLY CA C 45.293 0.3 1 6 -1 3 GLY N N 110.992 0.2 1 7 0 4 SER H H 8.2 0.02 1 8 0 4 SER HA H 4.397 0.02 1 9 0 4 SER C C 174.2 0.3 1 10 0 4 SER CA C 58.6 0.3 1 11 0 4 SER CB C 63.873 0.3 1 12 0 4 SER N N 115.365 0.2 1 13 1 5 MET H H 8.44 0.02 1 14 1 5 MET HA H 4.462 0.02 1 15 1 5 MET C C 175.524 0.3 1 16 1 5 MET CA C 55.4 0.3 1 17 1 5 MET CB C 32.871 0.3 1 18 1 5 MET N N 122.225 0.2 1 19 2 6 SER H H 8.138 0.02 1 20 2 6 SER HA H 4.67 0.02 1 21 2 6 SER C C 174.96 0.3 1 22 2 6 SER CA C 57.52 0.3 1 23 2 6 SER CB C 63.909 0.3 1 24 2 6 SER N N 116.702 0.2 1 25 3 7 PHE H H 9.563 0.02 1 26 3 7 PHE HA H 4.28 0.02 1 27 3 7 PHE C C 177.852 0.3 1 28 3 7 PHE CA C 60.055 0.3 1 29 3 7 PHE CB C 40.642 0.3 1 30 3 7 PHE N N 122.479 0.2 1 31 4 8 SER H H 8.339 0.02 1 32 4 8 SER HA H 4.312 0.02 1 33 4 8 SER C C 174.07 0.3 1 34 4 8 SER CA C 60.272 0.3 1 35 4 8 SER CB C 63.873 0.3 1 36 4 8 SER N N 116.388 0.2 1 37 5 9 GLY H H 8.96 0.02 1 38 5 9 GLY HA2 H 3.777 0.02 2 39 5 9 GLY HA3 H 3.845 0.02 2 40 5 9 GLY C C 170.037 0.3 1 41 5 9 GLY CA C 45.141 0.3 1 42 5 9 GLY N N 110.785 0.2 1 43 6 10 LYS H H 8.068 0.02 1 44 6 10 LYS HA H 5.088 0.02 1 45 6 10 LYS C C 174.72 0.3 1 46 6 10 LYS CA C 55.413 0.3 1 47 6 10 LYS CB C 34.952 0.3 1 48 6 10 LYS N N 119.228 0.2 1 49 7 11 TYR H H 9.245 0.02 1 50 7 11 TYR HA H 4.952 0.02 1 51 7 11 TYR C C 174.638 0.3 1 52 7 11 TYR CA C 56.352 0.3 1 53 7 11 TYR CB C 41.542 0.3 1 54 7 11 TYR N N 120.015 0.2 1 55 8 12 GLN H H 9.079 0.02 1 56 8 12 GLN HA H 4.859 0.02 1 57 8 12 GLN C C 175.879 0.3 1 58 8 12 GLN CA C 54.52 0.3 1 59 8 12 GLN CB C 30.826 0.3 1 60 8 12 GLN N N 124.45 0.2 1 61 9 13 LEU H H 8.575 0.02 1 62 9 13 LEU HA H 4.479 0.02 1 63 9 13 LEU C C 175.287 0.3 1 64 9 13 LEU CA C 57.657 0.3 1 65 9 13 LEU CB C 39.395 0.3 1 66 9 13 LEU N N 131.981 0.2 1 67 10 14 GLN H H 10.024 0.02 1 68 10 14 GLN HA H 4.497 0.02 1 69 10 14 GLN C C 175.632 0.3 1 70 10 14 GLN CA C 56.503 0.3 1 71 10 14 GLN CB C 31.481 0.3 1 72 10 14 GLN N N 126.031 0.2 1 73 11 15 SER H H 7.962 0.02 1 74 11 15 SER HA H 4.638 0.02 1 75 11 15 SER C C 171.267 0.3 1 76 11 15 SER CA C 57.825 0.3 1 77 11 15 SER CB C 64.773 0.3 1 78 11 15 SER N N 110.853 0.2 1 79 12 16 GLN H H 8.597 0.02 1 80 12 16 GLN HA H 5.459 0.02 1 81 12 16 GLN C C 174.018 0.3 1 82 12 16 GLN CA C 54.345 0.3 1 83 12 16 GLN CB C 32.626 0.3 1 84 12 16 GLN N N 116.498 0.2 1 85 13 17 GLU H H 9.061 0.02 1 86 13 17 GLU HA H 4.789 0.02 1 87 13 17 GLU C C 175.552 0.3 1 88 13 17 GLU CA C 55.306 0.3 1 89 13 17 GLU CB C 33.689 0.3 1 90 13 17 GLU N N 120.768 0.2 1 91 14 18 ASN H H 9.246 0.02 1 92 14 18 ASN HA H 4.786 0.02 1 93 14 18 ASN C C 174.251 0.3 1 94 14 18 ASN CA C 54.55 0.3 1 95 14 18 ASN CB C 36.225 0.3 1 96 14 18 ASN N N 116.733 0.2 1 97 15 19 PHE H H 8.441 0.02 1 98 15 19 PHE HA H 3.491 0.02 1 99 15 19 PHE C C 176.165 0.3 1 100 15 19 PHE CA C 62.448 0.3 1 101 15 19 PHE CB C 39.855 0.3 1 102 15 19 PHE N N 118.037 0.2 1 103 16 20 GLU H H 9.498 0.02 1 104 16 20 GLU HA H 3.427 0.02 1 105 16 20 GLU C C 178.19 0.3 1 106 16 20 GLU CA C 61.524 0.3 1 107 16 20 GLU CB C 28.781 0.3 1 108 16 20 GLU N N 118.443 0.2 1 109 17 21 ALA H H 8.277 0.02 1 110 17 21 ALA HA H 3.893 0.02 1 111 17 21 ALA C C 180.402 0.3 1 112 17 21 ALA CA C 54.918 0.3 1 113 17 21 ALA CB C 18.264 0.3 1 114 17 21 ALA N N 119.606 0.2 1 115 18 22 PHE H H 7.812 0.02 1 116 18 22 PHE HA H 3.791 0.02 1 117 18 22 PHE C C 175.72 0.3 1 118 18 22 PHE CA C 62.315 0.3 1 119 18 22 PHE CB C 40.07 0.3 1 120 18 22 PHE N N 118.407 0.2 1 121 19 23 MET H H 8.122 0.02 1 122 19 23 MET HA H 4.005 0.02 1 123 19 23 MET C C 178.563 0.3 1 124 19 23 MET CA C 56.19 0.3 1 125 19 23 MET CB C 31.271 0.3 1 126 19 23 MET N N 114.47 0.2 1 127 20 24 LYS H H 8.053 0.02 1 128 20 24 LYS HA H 3.884 0.02 1 129 20 24 LYS C C 180.03 0.3 1 130 20 24 LYS CA C 59.309 0.3 1 131 20 24 LYS CB C 32.089 0.3 1 132 20 24 LYS N N 118.891 0.2 1 133 21 25 ALA H H 7.448 0.02 1 134 21 25 ALA HA H 3.951 0.02 1 135 21 25 ALA C C 179.683 0.3 1 136 21 25 ALA CA C 55 0.3 1 137 21 25 ALA CB C 18.229 0.3 1 138 21 25 ALA N N 122.886 0.2 1 139 22 26 ILE H H 7.304 0.02 1 140 22 26 ILE HA H 4.099 0.02 1 141 22 26 ILE C C 176.114 0.3 1 142 22 26 ILE CA C 61.808 0.3 1 143 22 26 ILE CB C 37.616 0.3 1 144 22 26 ILE N N 109.686 0.2 1 145 23 27 GLY H H 7.364 0.02 1 146 23 27 GLY HA2 H 3.588 0.02 2 147 23 27 GLY HA3 H 4.042 0.02 2 148 23 27 GLY C C 174.917 0.3 1 149 23 27 GLY CA C 45.8 0.3 1 150 23 27 GLY N N 108.255 0.2 1 151 24 28 LEU H H 7.787 0.02 1 152 24 28 LEU HA H 4.284 0.02 1 153 24 28 LEU C C 174.2 0.3 1 154 24 28 LEU CA C 53.884 0.3 1 155 24 28 LEU CB C 41.951 0.3 1 156 24 28 LEU N N 124.248 0.2 1 157 25 29 PRO HA H 4.343 0.02 1 158 25 29 PRO C C 177.582 0.3 1 159 25 29 PRO CA C 62.933 0.3 1 160 26 30 GLU H H 8.721 0.02 1 161 26 30 GLU HA H 3.794 0.02 1 162 26 30 GLU C C 178.154 0.3 1 163 26 30 GLU CA C 60.172 0.3 1 164 26 30 GLU CB C 29.354 0.3 1 165 26 30 GLU N N 124.052 0.2 1 166 27 31 GLU H H 9.245 0.02 1 167 27 31 GLU HA H 4.045 0.02 1 168 27 31 GLU C C 178.537 0.3 1 169 27 31 GLU CA C 59.8 0.3 1 170 27 31 GLU CB C 29.062 0.3 1 171 27 31 GLU N N 117.418 0.2 1 172 28 32 LEU H H 7.114 0.02 1 173 28 32 LEU HA H 4.186 0.02 1 174 28 32 LEU C C 180.14 0.3 1 175 28 32 LEU CA C 56.942 0.3 1 176 28 32 LEU CB C 41.542 0.3 1 177 28 32 LEU N N 117.485 0.2 1 178 29 33 ILE H H 7.768 0.02 1 179 29 33 ILE HA H 3.523 0.02 1 180 29 33 ILE C C 177.586 0.3 1 181 29 33 ILE CA C 66.3 0.3 1 182 29 33 ILE CB C 37.534 0.3 1 183 29 33 ILE N N 123.159 0.2 1 184 30 34 GLN H H 8.184 0.02 1 185 30 34 GLN HA H 3.89 0.02 1 186 30 34 GLN C C 178.407 0.3 1 187 30 34 GLN CA C 58.58 0.3 1 188 30 34 GLN CB C 27.753 0.3 1 189 30 34 GLN N N 116.689 0.2 1 190 31 35 LYS H H 7.516 0.02 1 191 31 35 LYS HA H 4.145 0.02 1 192 31 35 LYS C C 178.339 0.3 1 193 31 35 LYS CA C 58.297 0.3 1 194 31 35 LYS CB C 32.871 0.3 1 195 31 35 LYS N N 115.908 0.2 1 196 32 36 GLY H H 7.801 0.02 1 197 32 36 GLY HA2 H 3.75 0.02 2 198 32 36 GLY HA3 H 4.111 0.02 2 199 32 36 GLY C C 175.33 0.3 1 200 32 36 GLY CA C 46.129 0.3 1 201 32 36 GLY N N 105.452 0.2 1 202 33 37 LYS H H 7.425 0.02 1 203 33 37 LYS HA H 2.98 0.02 1 204 33 37 LYS C C 175.48 0.3 1 205 33 37 LYS CA C 58.958 0.3 1 206 33 37 LYS CB C 31.972 0.3 1 207 33 37 LYS N N 119.772 0.2 1 208 34 38 ASP H H 7.768 0.02 1 209 34 38 ASP HA H 4.733 0.02 1 210 34 38 ASP C C 175.669 0.3 1 211 34 38 ASP CA C 54.332 0.3 1 212 34 38 ASP CB C 41.297 0.3 1 213 34 38 ASP N N 117.211 0.2 1 214 35 39 ILE H H 7.113 0.02 1 215 35 39 ILE HA H 3.832 0.02 1 216 35 39 ILE C C 176.107 0.3 1 217 35 39 ILE CA C 61.364 0.3 1 218 35 39 ILE CB C 37.698 0.3 1 219 35 39 ILE N N 120.287 0.2 1 220 36 40 LYS H H 8.629 0.02 1 221 36 40 LYS C C 175.428 0.3 1 222 36 40 LYS CA C 55.417 0.3 1 223 36 40 LYS CB C 31.399 0.3 1 224 36 40 LYS N N 128.628 0.2 1 225 37 41 GLY H H 7.837 0.02 1 226 37 41 GLY HA2 H 4.262 0.02 2 227 37 41 GLY HA3 H 3.9 0.02 2 228 37 41 GLY C C 172.612 0.3 1 229 37 41 GLY CA C 45.433 0.3 1 230 37 41 GLY N N 110.719 0.2 1 231 38 42 VAL H H 8.305 0.02 1 232 38 42 VAL HA H 4.949 0.02 1 233 38 42 VAL C C 175.91 0.3 1 234 38 42 VAL CA C 61.253 0.3 1 235 38 42 VAL CB C 35.115 0.3 1 236 38 42 VAL N N 120.494 0.2 1 237 39 43 SER H H 9.136 0.02 1 238 39 43 SER HA H 5.293 0.02 1 239 39 43 SER C C 172.176 0.3 1 240 39 43 SER CA C 57.442 0.3 1 241 39 43 SER CB C 65.428 0.3 1 242 39 43 SER N N 121.382 0.2 1 243 40 44 GLU H H 9.362 0.02 1 244 40 44 GLU HA H 5.302 0.02 1 245 40 44 GLU C C 174.471 0.3 1 246 40 44 GLU CA C 55.157 0.3 1 247 40 44 GLU CB C 32.462 0.3 1 248 40 44 GLU N N 125.484 0.2 1 249 41 45 ILE H H 9.327 0.02 1 250 41 45 ILE C C 175.72 0.3 1 251 41 45 ILE CA C 60.23 0.3 1 252 41 45 ILE N N 125.69 0.2 1 253 42 46 VAL H H 8.974 0.02 1 254 42 46 VAL HA H 4.1 0.02 1 255 42 46 VAL C C 174.028 0.3 1 256 42 46 VAL CA C 62.547 0.3 1 257 42 46 VAL CB C 33.806 0.3 1 258 42 46 VAL N N 128.157 0.2 1 259 43 47 GLN H H 8.521 0.02 1 260 43 47 GLN HA H 4.363 0.02 1 261 43 47 GLN C C 174.331 0.3 1 262 43 47 GLN CA C 53.79 0.3 1 263 43 47 GLN CB C 29.635 0.3 1 264 43 47 GLN N N 131.024 0.2 1 265 44 48 ASN H H 8.992 0.02 1 266 44 48 ASN HA H 4.735 0.02 1 267 44 48 ASN C C 175.08 0.3 1 268 44 48 ASN CA C 52.21 0.3 1 269 44 48 ASN CB C 39.532 0.3 1 270 44 48 ASN N N 127.2 0.2 1 271 45 49 GLY H H 9.094 0.02 1 272 45 49 GLY HA2 H 3.552 0.02 2 273 45 49 GLY HA3 H 3.954 0.02 2 274 45 49 GLY C C 173.65 0.3 1 275 45 49 GLY CA C 47.601 0.3 1 276 45 49 GLY N N 115.829 0.2 1 277 46 50 LYS H H 8.724 0.02 1 278 46 50 LYS HA H 4.306 0.02 1 279 46 50 LYS C C 174.251 0.3 1 280 46 50 LYS CA C 56.83 0.3 1 281 46 50 LYS CB C 33.397 0.3 1 282 46 50 LYS N N 126.165 0.2 1 283 47 51 HIS H H 7.971 0.02 1 284 47 51 HIS HA H 5.042 0.02 1 285 47 51 HIS C C 173.45 0.3 1 286 47 51 HIS CA C 56.29 0.3 1 287 47 51 HIS CB C 31.072 0.3 1 288 47 51 HIS N N 120.489 0.2 1 289 48 52 PHE H H 8.752 0.02 1 290 48 52 PHE HA H 4.684 0.02 1 291 48 52 PHE C C 173.761 0.3 1 292 48 52 PHE CA C 56.88 0.3 1 293 48 52 PHE CB C 43.786 0.3 1 294 48 52 PHE N N 124.573 0.2 1 295 49 53 LYS H H 8.255 0.02 1 296 49 53 LYS HA H 4.766 0.02 1 297 49 53 LYS C C 175.01 0.3 1 298 49 53 LYS CA C 55.84 0.3 1 299 49 53 LYS CB C 35.407 0.3 1 300 49 53 LYS N N 118.65 0.2 1 301 50 54 PHE H H 9.45 0.02 1 302 50 54 PHE HA H 5.31 0.02 1 303 50 54 PHE C C 175.18 0.3 1 304 50 54 PHE CA C 56.13 0.3 1 305 50 54 PHE CB C 42.799 0.3 1 306 50 54 PHE N N 127.35 0.2 1 307 51 55 THR H H 9.351 0.02 1 308 51 55 THR HA H 5.12 0.02 1 309 51 55 THR CA C 62.59 0.3 1 310 51 55 THR CB C 69.716 0.3 1 311 51 55 THR N N 121.52 0.2 1 312 52 56 ILE HA H 4.791 0.02 1 313 52 56 ILE C C 174.778 0.3 1 314 52 56 ILE CA C 60.268 0.3 1 315 53 57 THR H H 8.523 0.02 1 316 53 57 THR HA H 4.86 0.02 1 317 53 57 THR C C 173.54 0.3 1 318 53 57 THR CA C 62.072 0.3 1 319 53 57 THR CB C 69.471 0.3 1 320 53 57 THR N N 121.662 0.2 1 321 54 58 ALA H H 8.807 0.02 1 322 54 58 ALA HA H 4.62 0.02 1 323 54 58 ALA C C 176.47 0.3 1 324 54 58 ALA CA C 51.035 0.3 1 325 54 58 ALA CB C 19.246 0.3 1 326 54 58 ALA N N 131.024 0.2 1 327 55 59 GLY H H 8.925 0.02 1 328 55 59 GLY HA2 H 3.632 0.02 2 329 55 59 GLY HA3 H 4.049 0.02 2 330 55 59 GLY C C 174.08 0.3 1 331 55 59 GLY CA C 47.17 0.3 1 332 55 59 GLY N N 114.758 0.2 1 333 56 60 SER HA H 4.305 0.02 1 334 56 60 SER C C 173.29 0.3 1 335 56 60 SER CA C 58.95 0.3 1 336 57 61 LYS H H 7.685 0.02 1 337 57 61 LYS HA H 4.49 0.02 1 338 57 61 LYS C C 174.43 0.3 1 339 57 61 LYS CA C 55.502 0.3 1 340 57 61 LYS CB C 34.18 0.3 1 341 57 61 LYS N N 122.889 0.2 1 342 58 62 VAL H H 8.456 0.02 1 343 58 62 VAL HA H 4.664 0.02 1 344 58 62 VAL C C 175.69 0.3 1 345 58 62 VAL CA C 61.8 0.3 1 346 58 62 VAL CB C 33.608 0.3 1 347 58 62 VAL N N 125.894 0.2 1 348 59 63 ILE H H 8.97 0.02 1 349 59 63 ILE HA H 4.263 0.02 1 350 59 63 ILE C C 174.6 0.3 1 351 59 63 ILE CA C 60.51 0.3 1 352 59 63 ILE CB C 40.231 0.3 1 353 59 63 ILE N N 128.173 0.2 1 354 60 64 GLN H H 8.893 0.02 1 355 60 64 GLN HA H 5.34 0.02 1 356 60 64 GLN C C 174.659 0.3 1 357 60 64 GLN CA C 54.442 0.3 1 358 60 64 GLN CB C 31.235 0.3 1 359 60 64 GLN N N 127.262 0.2 1 360 61 65 ASN H H 8.906 0.02 1 361 61 65 ASN HA H 5.34 0.02 1 362 61 65 ASN C C 172.96 0.3 1 363 61 65 ASN CA C 52.33 0.3 1 364 61 65 ASN CB C 43.868 0.3 1 365 61 65 ASN N N 122.134 0.2 1 366 62 66 GLU H H 8.979 0.02 1 367 62 66 GLU HA H 5.278 0.02 1 368 62 66 GLU C C 174 0.3 1 369 62 66 GLU CA C 55.087 0.3 1 370 62 66 GLU CB C 32.871 0.3 1 371 62 66 GLU N N 122.89 0.2 1 372 63 67 PHE H H 8.237 0.02 1 373 63 67 PHE HA H 4.974 0.02 1 374 63 67 PHE C C 172.314 0.3 1 375 63 67 PHE CA C 56.543 0.3 1 376 63 67 PHE CB C 40.682 0.3 1 377 63 67 PHE N N 117.35 0.2 1 378 64 68 THR H H 9.026 0.02 1 379 64 68 THR HA H 5.288 0.02 1 380 64 68 THR C C 176.03 0.3 1 381 64 68 THR CA C 61.37 0.3 1 382 64 68 THR CB C 70.254 0.3 1 383 64 68 THR N N 118.231 0.2 1 384 65 69 VAL H H 9.178 0.02 1 385 65 69 VAL HA H 4.07 0.02 1 386 65 69 VAL C C 176.519 0.3 1 387 65 69 VAL CA C 64.73 0.3 1 388 65 69 VAL CB C 31.726 0.3 1 389 65 69 VAL N N 126.244 0.2 1 390 66 70 GLY H H 8.789 0.02 1 391 66 70 GLY HA2 H 3.464 0.02 2 392 66 70 GLY HA3 H 4.3 0.02 2 393 66 70 GLY C C 173.33 0.3 1 394 66 70 GLY CA C 45.644 0.3 1 395 66 70 GLY N N 110.168 0.2 1 396 67 71 GLU H H 7.784 0.02 1 397 67 71 GLU HA H 4.535 0.02 1 398 67 71 GLU C C 175.51 0.3 1 399 67 71 GLU CA C 54.337 0.3 1 400 67 71 GLU CB C 31.644 0.3 1 401 67 71 GLU N N 119.262 0.2 1 402 68 72 GLU H H 8.951 0.02 1 403 68 72 GLU HA H 4.334 0.02 1 404 68 72 GLU C C 175.516 0.3 1 405 68 72 GLU CA C 58.226 0.3 1 406 68 72 GLU CB C 30.008 0.3 1 407 68 72 GLU N N 125.637 0.2 1 408 69 73 CYS H H 9.18 0.02 1 409 69 73 CYS HA H 5.092 0.02 1 410 69 73 CYS C C 171.654 0.3 1 411 69 73 CYS CA C 55.72 0.3 1 412 69 73 CYS CB C 31.972 0.3 1 413 69 73 CYS N N 121.998 0.2 1 414 70 74 GLU H H 8.481 0.02 1 415 70 74 GLU HA H 4.981 0.02 1 416 70 74 GLU C C 175 0.3 1 417 70 74 GLU CA C 55.2 0.3 1 418 70 74 GLU CB C 31.972 0.3 1 419 70 74 GLU N N 119.824 0.2 1 420 71 75 LEU H H 8.723 0.02 1 421 71 75 LEU HA H 4.566 0.02 1 422 71 75 LEU C C 175.249 0.3 1 423 71 75 LEU CA C 53.22 0.3 1 424 71 75 LEU N N 125.52 0.2 1 425 74 78 MET HA H 4.084 0.02 1 426 74 78 MET C C 175.925 0.3 1 427 74 78 MET CA C 58.39 0.3 1 428 75 79 THR H H 7.461 0.02 1 429 75 79 THR HA H 4.2 0.02 1 430 75 79 THR C C 175.347 0.3 1 431 75 79 THR CA C 61.613 0.3 1 432 75 79 THR CB C 68.7 0.3 1 433 75 79 THR N N 104.563 0.2 1 434 76 80 GLY H H 7.662 0.02 1 435 76 80 GLY HA2 H 3.78 0.02 2 436 76 80 GLY HA3 H 4.26 0.02 2 437 76 80 GLY C C 173.54 0.3 1 438 76 80 GLY CA C 45.19 0.3 1 439 76 80 GLY N N 110.261 0.2 1 440 77 81 GLU H H 7.33 0.02 1 441 77 81 GLU HA H 4.174 0.02 1 442 77 81 GLU C C 175.659 0.3 1 443 77 81 GLU CA C 56.179 0.3 1 444 77 81 GLU CB C 30.336 0.3 1 445 77 81 GLU N N 120.632 0.2 1 446 78 82 LYS H H 8.653 0.02 1 447 78 82 LYS HA H 5.06 0.02 1 448 78 82 LYS C C 176.4 0.3 1 449 78 82 LYS CA C 55.23 0.3 1 450 78 82 LYS CB C 33.117 0.3 1 451 78 82 LYS N N 125.073 0.2 1 452 79 83 VAL H H 8.726 0.02 1 453 79 83 VAL HA H 4.47 0.02 1 454 79 83 VAL C C 173.68 0.3 1 455 79 83 VAL CA C 59.48 0.3 1 456 79 83 VAL CB C 35.027 0.3 1 457 79 83 VAL N N 119.74 0.2 1 458 80 84 LYS H H 8.406 0.02 1 459 80 84 LYS HA H 5.159 0.02 1 460 80 84 LYS C C 176.324 0.3 1 461 80 84 LYS CA C 55.485 0.3 1 462 80 84 LYS CB C 32.544 0.3 1 463 80 84 LYS N N 124.585 0.2 1 464 81 85 THR H H 8.84 0.02 1 465 81 85 THR HA H 4.709 0.02 1 466 81 85 THR C C 170.444 0.3 1 467 81 85 THR CA C 59.414 0.3 1 468 81 85 THR N N 120.34 0.2 1 469 82 86 VAL H H 8.22 0.02 1 470 82 86 VAL HA H 4.25 0.02 1 471 82 86 VAL C C 174.927 0.3 1 472 82 86 VAL CA C 61.424 0.3 1 473 82 86 VAL CB C 35.361 0.3 1 474 82 86 VAL N N 119.946 0.2 1 475 83 87 VAL H H 9.814 0.02 1 476 83 87 VAL HA H 4.165 0.02 1 477 83 87 VAL C C 174.621 0.3 1 478 83 87 VAL CA C 61.19 0.3 1 479 83 87 VAL CB C 31.808 0.3 1 480 83 87 VAL N N 133.145 0.2 1 481 84 88 GLN H H 8.779 0.02 1 482 84 88 GLN HA H 4.852 0.02 1 483 84 88 GLN C C 174.706 0.3 1 484 84 88 GLN CA C 53.819 0.3 1 485 84 88 GLN CB C 30.78 0.3 1 486 84 88 GLN N N 124.534 0.2 1 487 85 89 LEU H H 8.489 0.02 1 488 85 89 LEU HA H 5.2 0.02 1 489 85 89 LEU C C 176.475 0.3 1 490 85 89 LEU CA C 54.1 0.3 1 491 85 89 LEU CB C 43.914 0.3 1 492 85 89 LEU N N 123.636 0.2 1 493 86 90 GLU H H 9.094 0.02 1 494 86 90 GLU HA H 4.521 0.02 1 495 86 90 GLU C C 175.953 0.3 1 496 86 90 GLU CA C 55.519 0.3 1 497 86 90 GLU CB C 31.271 0.3 1 498 86 90 GLU N N 128.493 0.2 1 499 87 91 GLY H H 8.389 0.02 1 500 87 91 GLY HA2 H 3.702 0.02 2 501 87 91 GLY HA3 H 4.066 0.02 2 502 87 91 GLY C C 173.544 0.3 1 503 87 91 GLY CA C 46.072 0.3 1 504 87 91 GLY N N 112.634 0.2 1 505 88 92 ASP H H 8.439 0.02 1 506 88 92 ASP HA H 4.724 0.02 1 507 88 92 ASP C C 177.474 0.3 1 508 88 92 ASP CA C 55.049 0.3 1 509 88 92 ASP CB C 41.823 0.3 1 510 88 92 ASP N N 117.896 0.2 1 511 89 93 ASN H H 8.134 0.02 1 512 89 93 ASN HA H 4.85 0.02 1 513 89 93 ASN C C 174.047 0.3 1 514 89 93 ASN CA C 53.606 0.3 1 515 89 93 ASN CB C 41.823 0.3 1 516 89 93 ASN N N 114.47 0.2 1 517 90 94 LYS H H 7.445 0.02 1 518 90 94 LYS HA H 5.484 0.02 1 519 90 94 LYS C C 174.071 0.3 1 520 90 94 LYS CA C 55.578 0.3 1 521 90 94 LYS CB C 35.898 0.3 1 522 90 94 LYS N N 118.922 0.2 1 523 91 95 LEU H H 8.985 0.02 1 524 91 95 LEU HA H 5.098 0.02 1 525 91 95 LEU C C 176.93 0.3 1 526 91 95 LEU CA C 52.943 0.3 1 527 91 95 LEU CB C 44.078 0.3 1 528 91 95 LEU N N 124.534 0.2 1 529 92 96 VAL H H 9.312 0.02 1 530 92 96 VAL HA H 4.884 0.02 1 531 92 96 VAL C C 174.785 0.3 1 532 92 96 VAL CA C 61.231 0.3 1 533 92 96 VAL CB C 34.753 0.3 1 534 92 96 VAL N N 124.459 0.2 1 535 93 97 THR H H 8.81 0.02 1 536 93 97 THR HA H 4.574 0.02 1 537 93 97 THR C C 170.484 0.3 1 538 93 97 THR CA C 60.975 0.3 1 539 93 97 THR CB C 69.196 0.3 1 540 93 97 THR N N 120.707 0.2 1 541 94 98 ALA H H 8.27 0.02 1 542 94 98 ALA HA H 4.99 0.02 1 543 94 98 ALA C C 175.663 0.3 1 544 94 98 ALA CA C 51.174 0.3 1 545 94 98 ALA CB C 21.828 0.3 1 546 94 98 ALA N N 125.909 0.2 1 547 95 99 PHE H H 8.272 0.02 1 548 95 99 PHE HA H 4.712 0.02 1 549 95 99 PHE C C 173.92 0.3 1 550 95 99 PHE CA C 55.57 0.3 1 551 95 99 PHE CB C 39.415 0.3 1 552 95 99 PHE N N 118.374 0.2 1 553 96 100 LYS H H 9.261 0.02 1 554 96 100 LYS CA C 58.15 0.3 1 555 96 100 LYS CB C 29.354 0.3 1 556 96 100 LYS N N 119.676 0.2 1 557 97 101 ASN HA H 4.427 0.02 1 558 97 101 ASN C C 173.402 0.3 1 559 97 101 ASN CA C 54.026 0.3 1 560 98 102 ILE H H 8.281 0.02 1 561 98 102 ILE HA H 4.576 0.02 1 562 98 102 ILE C C 175.7 0.3 1 563 98 102 ILE CA C 60.658 0.3 1 564 98 102 ILE CB C 39.906 0.3 1 565 98 102 ILE N N 121.454 0.2 1 566 99 103 LYS H H 8.125 0.02 1 567 99 103 LYS HA H 4.553 0.02 1 568 99 103 LYS C C 175.421 0.3 1 569 99 103 LYS CA C 55.697 0.3 1 570 99 103 LYS CB C 34.18 0.3 1 571 99 103 LYS N N 126.797 0.2 1 572 100 104 SER H H 8.691 0.02 1 573 100 104 SER HA H 5.338 0.02 1 574 100 104 SER C C 172.894 0.3 1 575 100 104 SER CA C 56.034 0.3 1 576 100 104 SER CB C 64.364 0.3 1 577 100 104 SER N N 119.469 0.2 1 578 101 105 VAL H H 8.906 0.02 1 579 101 105 VAL HA H 4.811 0.02 1 580 101 105 VAL C C 175.84 0.3 1 581 101 105 VAL CA C 61.552 0.3 1 582 101 105 VAL CB C 34.753 0.3 1 583 101 105 VAL N N 128.425 0.2 1 584 102 106 THR H H 9.263 0.02 1 585 102 106 THR HA H 5.102 0.02 1 586 102 106 THR C C 172.062 0.3 1 587 102 106 THR CA C 62.48 0.3 1 588 102 106 THR CB C 69.716 0.3 1 589 102 106 THR N N 127.49 0.2 1 590 103 107 GLU H H 9.072 0.02 1 591 103 107 GLU HA H 5.454 0.02 1 592 103 107 GLU C C 173.676 0.3 1 593 103 107 GLU CA C 54.358 0.3 1 594 103 107 GLU CB C 33.853 0.3 1 595 103 107 GLU N N 127.858 0.2 1 596 104 108 LEU H H 8.473 0.02 1 597 104 108 LEU HA H 4.792 0.02 1 598 104 108 LEU C C 175 0.3 1 599 104 108 LEU CA C 53.91 0.3 1 600 104 108 LEU CB C 44.978 0.3 1 601 104 108 LEU N N 128.489 0.2 1 602 105 109 ASN H H 8.89 0.02 1 603 105 109 ASN HA H 4.823 0.02 1 604 105 109 ASN C C 174.934 0.3 1 605 105 109 ASN CA C 52.69 0.3 1 606 105 109 ASN CB C 39.988 0.3 1 607 105 109 ASN N N 126.168 0.2 1 608 106 110 GLY H H 8.908 0.02 1 609 106 110 GLY HA2 H 3.518 0.02 2 610 106 110 GLY HA3 H 3.94 0.02 2 611 106 110 GLY C C 172.933 0.3 1 612 106 110 GLY CA C 48 0.3 1 613 106 110 GLY N N 115.632 0.2 1 614 107 111 ASP H H 8.836 0.02 1 615 107 111 ASP HA H 4.747 0.02 1 616 107 111 ASP C C 173.942 0.3 1 617 107 111 ASP CA C 54.072 0.3 1 618 107 111 ASP CB C 41.706 0.3 1 619 107 111 ASP N N 127.083 0.2 1 620 108 112 ILE H H 7.92 0.02 1 621 108 112 ILE HA H 5.023 0.02 1 622 108 112 ILE C C 176 0.3 1 623 108 112 ILE CA C 58.952 0.3 1 624 108 112 ILE CB C 38.925 0.3 1 625 108 112 ILE N N 120.152 0.2 1 626 109 113 ILE H H 8.784 0.02 1 627 109 113 ILE HA H 5.132 0.02 1 628 109 113 ILE C C 174.546 0.3 1 629 109 113 ILE CA C 58.38 0.3 1 630 109 113 ILE N N 126.396 0.2 1 631 110 114 THR H H 8.995 0.02 1 632 110 114 THR HA H 5 0.02 1 633 110 114 THR C C 174.164 0.3 1 634 110 114 THR CA C 61.3 0.3 1 635 110 114 THR CB C 69.845 0.3 1 636 110 114 THR N N 123.477 0.2 1 637 111 115 ASN H H 9.231 0.02 1 638 111 115 ASN HA H 5.688 0.02 1 639 111 115 ASN C C 173.454 0.3 1 640 111 115 ASN CA C 51.7 0.3 1 641 111 115 ASN CB C 41.951 0.3 1 642 111 115 ASN N N 126.71 0.2 1 643 112 116 THR H H 9.228 0.02 1 644 112 116 THR HA H 4.867 0.02 1 645 112 116 THR C C 173.618 0.3 1 646 112 116 THR CA C 61.71 0.3 1 647 112 116 THR CB C 69.635 0.3 1 648 112 116 THR N N 123.092 0.2 1 649 113 117 MET H H 9.22 0.02 1 650 113 117 MET HA H 5.449 0.02 1 651 113 117 MET C C 173.639 0.3 1 652 113 117 MET CA C 54.4 0.3 1 653 113 117 MET CB C 36.471 0.3 1 654 113 117 MET N N 127.49 0.2 1 655 114 118 THR H H 8.792 0.02 1 656 114 118 THR HA H 5.32 0.02 1 657 114 118 THR C C 173.217 0.3 1 658 114 118 THR CA C 61.59 0.3 1 659 114 118 THR CB C 70.663 0.3 1 660 114 118 THR N N 118.1 0.2 1 661 115 119 LEU H H 8.808 0.02 1 662 115 119 LEU HA H 4.676 0.02 1 663 115 119 LEU C C 176.034 0.3 1 664 115 119 LEU CA C 54.294 0.3 1 665 115 119 LEU CB C 44.569 0.3 1 666 115 119 LEU N N 129.865 0.2 1 667 116 120 GLY H H 9.162 0.02 1 668 116 120 GLY HA2 H 3.556 0.02 2 669 116 120 GLY HA3 H 3.864 0.02 2 670 116 120 GLY C C 174.118 0.3 1 671 116 120 GLY CA C 47.6 0.3 1 672 116 120 GLY N N 117.762 0.2 1 673 117 121 ASP H H 8.6 0.02 1 674 117 121 ASP HA H 4.736 0.02 1 675 117 121 ASP C C 175.553 0.3 1 676 117 121 ASP CA C 54.149 0.3 1 677 117 121 ASP CB C 40.642 0.3 1 678 117 121 ASP N N 126.291 0.2 1 679 118 122 ILE H H 8.356 0.02 1 680 118 122 ILE HA H 3.938 0.02 1 681 118 122 ILE C C 174.075 0.3 1 682 118 122 ILE CA C 62.104 0.3 1 683 118 122 ILE CB C 38.597 0.3 1 684 118 122 ILE N N 122.544 0.2 1 685 119 123 VAL H H 8.338 0.02 1 686 119 123 VAL HA H 4.498 0.02 1 687 119 123 VAL C C 175.4 0.3 1 688 119 123 VAL CA C 61.8 0.3 1 689 119 123 VAL CB C 31.972 0.3 1 690 119 123 VAL N N 127.47 0.2 1 691 120 124 PHE H H 9.244 0.02 1 692 120 124 PHE HA H 5.467 0.02 1 693 120 124 PHE C C 173.703 0.3 1 694 120 124 PHE CA C 54 0.3 1 695 120 124 PHE CB C 40.315 0.3 1 696 120 124 PHE N N 131.227 0.2 1 697 121 125 LYS H H 8.069 0.02 1 698 121 125 LYS HA H 5.085 0.02 1 699 121 125 LYS C C 174.186 0.3 1 700 121 125 LYS CA C 54.6 0.3 1 701 121 125 LYS CB C 36.833 0.3 1 702 121 125 LYS N N 129.311 0.2 1 703 122 126 ARG H H 8.62 0.02 1 704 122 126 ARG HA H 4.789 0.02 1 705 122 126 ARG C C 174.7 0.3 1 706 122 126 ARG CA C 55.49 0.3 1 707 122 126 ARG CB C 34.507 0.3 1 708 122 126 ARG N N 123.214 0.2 1 709 123 127 ILE H H 8.787 0.02 1 710 123 127 ILE HA H 4.74 0.02 1 711 123 127 ILE C C 175.37 0.3 1 712 123 127 ILE CA C 61.46 0.3 1 713 123 127 ILE CB C 39.532 0.3 1 714 123 127 ILE N N 126.398 0.2 1 715 124 128 SER H H 9.216 0.02 1 716 124 128 SER HA H 5.4 0.02 1 717 124 128 SER C C 170.4 0.3 1 718 124 128 SER CA C 57.77 0.3 1 719 124 128 SER CB C 65.299 0.3 1 720 124 128 SER N N 122.348 0.2 1 721 125 129 LYS H H 8.635 0.02 1 722 125 129 LYS HA H 5.437 0.02 1 723 125 129 LYS C C 175.312 0.3 1 724 125 129 LYS CA C 54.76 0.3 1 725 125 129 LYS CB C 36.88 0.3 1 726 125 129 LYS N N 123.76 0.2 1 727 126 130 ARG H H 9.308 0.02 1 728 126 130 ARG HA H 3.96 0.02 1 729 126 130 ARG C C 175.365 0.3 1 730 126 130 ARG CA C 57.556 0.3 1 731 126 130 ARG CB C 31.254 0.3 1 732 126 130 ARG N N 129.997 0.2 1 733 127 131 ILE H H 8.631 0.02 1 734 127 131 ILE HA H 4.09 0.02 1 735 127 131 ILE C C 175.236 0.3 1 736 127 131 ILE CA C 61.161 0.3 1 737 127 131 ILE CB C 39.415 0.3 1 738 127 131 ILE N N 126.302 0.2 1 739 128 132 LEU H H 8.304 0.02 1 740 128 132 LEU HA H 4.352 0.02 1 741 128 132 LEU C C 176.35 0.3 1 742 128 132 LEU CA C 54.913 0.3 1 743 128 132 LEU CB C 42.424 0.3 1 744 128 132 LEU N N 127.192 0.2 1 745 129 133 VAL H H 8.037 0.02 1 746 129 133 VAL HA H 4.36 0.02 1 747 129 133 VAL CA C 59.72 0.3 1 748 129 133 VAL CB C 32.544 0.3 1 749 129 133 VAL N N 123.021 0.2 1 750 131 135 ARG H H 7.936 0.02 1 751 131 135 ARG HA H 4.023 0.02 1 752 131 135 ARG CB C 30.99 0.3 1 753 131 135 ARG N N 125.347 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 7 PHE N 0.715307582 0.028090405 2 8 SER N 0.760398449 0.034692348 3 9 GLY N 0.731475386 0.01198526 4 10 LYS N 0.754489211 0.015028305 5 11 TYR N 0.764701384 0.023566159 6 12 GLN N 0.757977715 0.02757745 7 13 LEU N 0.656598818 0.015434168 8 14 GLN N 0.723850887 0.022373097 9 15 SER N 0.778452437 0.020543 10 16 GLN N 0.756887678 0.041591012 11 17 GLU N 0.782166601 0.027102057 12 19 PHE N 0.73313783 0.024885837 13 20 GLU N 0.71952799 0.0153763 14 21 ALA N 0.702345835 0.011838952 15 22 PHE N 0.71864894 0.008521529 16 24 LYS N 0.719010641 0.007341063 17 25 ALA N 0.728703636 0.008708547 18 26 ILE N 0.732654407 0.011701858 19 27 GLY N 0.702099277 0.00897157 20 28 LEU N 0.685776985 0.005596452 21 30 GLU N 0.789702282 0.044714249 22 31 GLU N 0.782533845 0.042375258 23 32 LEU N 0.74019245 0.01123164 24 33 ILE N 0.76091919 0.018933235 25 34 GLN N 0.721084511 0.018666667 26 35 LYS N 0.731047591 0.028217935 27 37 LYS N 0.725636746 0.031171682 28 38 ASP N 0.718390805 0.026371961 29 39 ILE N 0.735672773 0.028846729 30 42 VAL N 0.789452909 0.019943549 31 43 SER N 0.734322221 0.024966308 32 44 GLU N 0.753409177 0.033716948 33 45 ILE N 0.751992781 0.014420075 34 46 VAL N 0.739262216 0.021368487 35 48 ASN N 0.775314002 0.033842594 36 51 HIS N 0.756830394 0.025202859 37 52 PHE N 0.821422704 0.049323147 38 53 LYS N 0.791139241 0.024910872 39 55 THR N 0.805152979 0.029885308 40 58 ALA N 0.665778961 0.029210941 41 61 LYS N 0.669747505 0.024536326 42 64 GLN N 0.747999102 0.024114565 43 65 ASN N 0.807884957 0.046274878 44 66 GLU N 0.793147208 0.034473721 45 68 THR N 0.781799703 0.022003588 46 69 VAL N 0.746881769 0.024209925 47 70 GLY N 0.760051684 0.023107142 48 71 GLU N 0.72663857 0.025713776 49 73 CYS N 0.74261102 0.020900756 50 74 GLU N 0.795481664 0.018667337 51 81 GLU N 0.689797889 0.035258346 52 84 LYS N 0.80224629 0.011970943 53 85 THR N 0.725847427 0.013961644 54 87 VAL N 0.762660159 0.032456099 55 88 GLN N 0.769408325 0.017996471 56 89 LEU N 0.788394828 0.017901112 57 90 GLU N 0.758495146 0.007996877 58 91 GLY N 0.850846592 0.041626546 59 92 ASP N 0.741564702 0.026231098 60 93 ASN N 0.712199986 0.017195057 61 94 LYS N 0.731850117 0.016496621 62 95 LEU N 0.767047634 0.021063362 63 97 THR N 0.741289844 0.018518508 64 98 ALA N 0.771247879 0.019986063 65 99 PHE N 0.730940721 0.016936496 66 102 ILE N 0.706214689 0.023690111 67 103 LYS N 0.741839763 0.016289657 68 104 SER N 0.749344324 0.013532558 69 106 THR N 0.768816791 0.024588897 70 108 LEU N 0.731796561 0.020349996 71 109 ASN N 0.759589821 0.023656045 72 112 ILE N 0.751766652 0.03000963 73 113 ILE N 0.75694497 0.026700201 74 114 THR N 0.77675936 0.022806823 75 116 THR N 0.729235032 0.020633209 76 117 MET N 0.751371253 0.0216226 77 118 THR N 0.746101619 0.0190937 78 119 LEU N 0.702099277 0.020259974 79 121 ASP N 0.790388871 0.03904466 80 122 ILE N 0.727484359 0.015559465 81 123 VAL N 0.761440646 0.007189419 82 124 PHE N 0.728279077 0.015593478 83 125 LYS N 0.759243793 0.022020433 84 126 ARG N 0.75397723 0.025297434 85 127 ILE N 0.757920267 0.013556858 86 129 LYS N 0.767636447 0.023865261 87 130 ARG N 0.699349605 0.025481582 88 131 ILE N 0.71999424 0.020528312 89 132 LEU N 0.68540096 0.041199221 90 133 VAL N 0.806061583 0.036710043 91 135 ARG N 0.705318098 0.026266607 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 5 MET N 0.217283135 0.031250541 . . 2 7 PHE N 0.089367102 0.001420795 . . 3 8 SER N 0.085541736 0.000926381 . . 4 9 GLY N 0.094378799 0.003030283 . . 5 10 LYS N 0.086349075 0.000820178 . . 6 11 TYR N 0.088483047 0.00209589 . . 7 12 GLN N 0.078950277 0.004109513 . . 8 13 LEU N 0.09220159 0.00352967 . . 9 14 GLN N 0.091220068 0.002710183 . . 10 15 SER N 0.094540298 0.006092945 . . 11 16 GLN N 0.086179408 0.003944421 . . 12 17 GLU N 0.090918183 0.00275427 . . 13 18 ASN N 0.098806907 0.003232367 . . 14 20 GLU N 0.092697306 0.0017873 . . 15 21 ALA N 0.088799695 0.001830987 . . 16 22 PHE N 0.082392684 0.001462255 . . 17 24 LYS N 0.087482176 0.001759455 . . 18 25 ALA N 0.090819097 0.001428572 . . 19 26 ILE N 0.092213493 0.00500846 . . 20 27 GLY N 0.097052515 0.005340681 . . 21 28 LEU N 0.093257484 0.00197421 . . 22 30 GLU N 0.088343125 0.00439706 . . 23 31 GLU N 0.08695879 0.004014576 . . 24 32 LEU N 0.091550779 0.00137625 . . 25 33 ILE N 0.088167872 0.001569485 . . 26 34 GLN N 0.082226699 0.001702478 . . 27 35 LYS N 0.090646217 0.00253815 . . 28 36 GLY N 0.096917632 0.002120006 . . 29 37 LYS N 0.090838072 0.006739045 . . 30 38 ASP N 0.097295194 0.004199275 . . 31 39 ILE N 0.099324593 0.002610378 . . 32 41 GLY N 0.11602651 0.009922278 . . 33 42 VAL N 0.098378719 0.003138696 . . 34 43 SER N 0.085664111 0.003671371 . . 35 44 GLU N 0.089823855 0.001975933 . . 36 45 ILE N 0.08486875 0.007409422 . . 37 46 VAL N 0.086970134 0.00304897 . . 38 47 GLN N 0.094833742 0.002703608 . . 39 48 ASN N 0.087333956 0.00453667 . . 40 50 LYS N 0.105997891 0.00279799 . . 41 51 HIS N 0.080523726 0.002390028 . . 42 53 LYS N 0.091037371 0.00299687 . . 43 54 PHE N 0.060662311 0.003459121 . . 44 55 THR N 0.068024434 0.004780951 . . 45 57 THR N 0.07247963 0.003052586 . . 46 58 ALA N 0.104096185 0.007561372 . . 47 61 LYS N 0.109599851 0.002110531 . . 48 62 VAL N 0.106149225 0.002271785 . . 49 64 GLN N 0.079341151 0.004249137 . . 50 65 ASN N 0.103056767 0.008443136 . . 51 66 GLU N 0.059296506 0.004170417 . . 52 67 PHE N 0.082706145 0.005061827 . . 53 68 THR N 0.087875007 0.001454828 . . 54 69 VAL N 0.087369056 0.004120483 . . 55 70 GLY N 0.086393835 0.001969722 . . 56 71 GLU N 0.088269044 0.001150793 . . 57 72 GLU N 0.110220043 0.002109215 . . 58 73 CYS N 0.100435186 0.002155943 . . 59 74 GLU N 0.09898442 0.001949785 . . 60 79 THR N 0.097998959 0.005177406 . . 61 80 GLY N 0.106329701 0.002712876 . . 62 81 GLU N 0.112536574 0.002489837 . . 63 84 LYS N 0.093240963 0.001688351 . . 64 85 THR N 0.085411684 0.001663296 . . 65 86 VAL N 0.10635605 0.00173373 . . 66 87 VAL N 0.100661345 0.004181768 . . 67 88 GLN N 0.096740802 0.004254503 . . 68 89 LEU N 0.095279837 0.002841491 . . 69 90 GLU N 0.08928412 0.001564836 . . 70 91 GLY N 0.116912573 0.003422605 . . 71 92 ASP N 0.09910017 0.002199869 . . 72 93 ASN N 0.103535746 0.004686631 . . 73 94 LYS N 0.085780214 0.001774809 . . 74 95 LEU N 0.092196489 0.002544958 . . 75 96 VAL N 0.073040043 0.00200601 . . 76 97 THR N 0.091471223 0.003961767 . . 77 98 ALA N 0.102632524 0.001966592 . . 78 99 PHE N 0.090279596 0.001618671 . . 79 100 LYS N 0.098785531 0.002224273 . . 80 102 ILE N 0.099407136 0.001720516 . . 81 103 LYS N 0.088599071 0.00286753 . . 82 104 SER N 0.080660773 0.001089782 . . 83 105 VAL N 0.085615559 0.001898183 . . 84 106 THR N 0.081443836 0.002017125 . . 85 107 GLU N 0.090128821 0.002006838 . . 86 108 LEU N 0.080871471 0.003443413 . . 87 109 ASN N 0.096555853 0.002126584 . . 88 110 GLY N 0.104477924 0.016950783 . . 89 111 ASP N 0.10669011 0.003344261 . . 90 112 ILE N 0.093430002 0.00588433 . . 91 113 ILE N 0.089507084 0.006551018 . . 92 114 THR N 0.080326447 0.003372637 . . 93 115 ASN N 0.086129528 0.002225563 . . 94 116 THR N 0.081122081 0.002237469 . . 95 117 MET N 0.081423942 0.003670953 . . 96 118 THR N 0.089272961 0.002568622 . . 97 119 LEU N 0.077361658 0.004806414 . . 98 120 GLY N 0.099528831 0.002090461 . . 99 122 ILE N 0.091300855 0.001906408 . . 100 123 VAL N 0.096607157 0.001376609 . . 101 124 PHE N 0.10117259 0.005616435 . . 102 125 LYS N 0.072838517 0.002318481 . . 103 126 ARG N 0.083188447 0.005647671 . . 104 127 ILE N 0.099260509 0.002666127 . . 105 128 SER N 0.093435589 0.002058409 . . 106 129 LYS N 0.089353527 0.00245829 . . 107 130 ARG N 0.076627178 0.005584597 . . 108 131 ILE N 0.098408731 0.002589576 . . 109 132 LEU N 0.1008756 0.005476662 . . 110 133 VAL N 0.197949246 0.010940146 . . 111 135 ARG N 0.327203717 0.021979885 . . 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 7 PHE 0.77032 0.01556 8 SER 0.8413 0.01319 9 GLY 0.80479 0.03869 10 LYS 0.81241 0.00277 11 TYR 0.75459 0.03213 12 GLN 0.7137 0.08319 13 LEU 0.7655 0.04181 14 GLN 0.78435 0.05201 15 SER 0.78029 0.03245 16 GLN 0.73694 0.03432 17 GLU 0.73227 0.00086 20 GLU 0.77117 0.00411 21 ALA 0.81053 0.01803 22 PHE 0.87757 0.0011 25 ALA 0.8075 0.00569 26 ILE 0.79399 0.0121 27 GLY 0.78572 0.0126 28 LEU 0.78647 0.04831 30 GLU 0.7055 0.00193 31 GLU 0.6871 0.03824 32 LEU 0.74977 0.01562 33 ILE 0.73336 0.00886 35 LYS 0.7367 0.0308 36 GLY 0.6524 0.02878 37 LYS 0.75017 0.00019 38 ASP 0.61521 0.01241 39 ILE 0.65978 0.00496 40 LYS 0.73013 0.07511 42 VAL 0.727 0.00376 43 SER 0.78819 0.03112 44 GLU 0.78972 0.03071 45 ILE 0.75346 0.02726 46 VAL 0.73332 0.02089 47 GLN 0.74356 0.05299 48 ASN 0.77861 0.00915 50 LYS 0.81237 0.00787 51 HIS 0.79595 0.02764 53 LYS 0.72927 0.04116 54 PHE 0.64295 0.00 55 THR 0.70376 0.02085 57 THR 0.77921 0.00926 58 ALA 0.72214 0.04168 61 LYS 0.65516 0.00126 62 VAL 0.7021 0.0133 64 GLN 0.69179 0.01226 65 ASN 0.57119 0.01307 66 GLU 0.72203 0.03182 67 PHE 0.82254 0.00 68 THR 0.75312 0.00348 69 VAL 0.87734 0.01664 70 GLY 0.79161 0.0505 71 GLU 0.83069 0.01224 72 GLU 0.698 0.06442 74 GLU 0.72435 0.0513 80 GLY 0.70196 0.01385 81 GLU 0.61788 0.02802 82 LYS 0.8854 0.03911 83 VAL 0.70793 0.02962 84 LYS 0.75426 0.00791 85 THR 0.82877 0.01639 86 VAL 0.80161 0.04763 87 VAL 0.86495 0.03846 89 LEU 0.79018 0.00018 90 GLU 0.69167 0.01108 91 GLY 0.56232 0.01086 94 LYS 0.79416 0.01726 95 LEU 0.82986 0.00752 96 VAL 0.80903 0.14293 97 THR 0.82919 0.03358 98 ALA 0.74146 0.04275 99 PHE 0.76548 0.02621 100 LYS 0.67392 0.00357 102 ILE 0.71736 0.01471 103 LYS 0.83642 0.00896 104 SER 0.80419 0.00014 105 VAL 0.71077 0.00794 106 THR 0.80724 0.01119 107 GLU 0.79869 0.00259 108 LEU 0.86253 0.02166 109 ASN 0.75072 0.00708 111 ASP 0.78387 0.06481 112 ILE 0.7917 0.01642 113 ILE 0.79989 0.00246 114 THR 0.81855 0.00683 115 ASN 0.75381 0.03055 116 THR 0.79955 0.03318 117 MET 0.7843 0.02402 118 THR 0.80448 0.0173 119 LEU 0.83917 0.04713 120 GLY 0.7518 0.0847 121 ASP 0.81293 0.05541 122 ILE 0.85726 0.00605 123 VAL 0.78346 0.02031 124 PHE 0.82406 0.02034 125 LYS 0.81663 0.01625 126 ARG 0.8053 0.00032 127 ILE 0.74961 0.01735 128 SER 0.77982 0.03827 129 LYS 0.76483 0.13265 130 ARG 0.87155 0.01849 131 ILE 0.79175 0.02534 132 LEU 0.57211 0.05535 133 VAL 0.07223 0.01227 135 ARG -0.2012 0.01305 stop_ save_