data_4673 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Solution structure of Ileal Lipid Binding Protein in complex with glycocholate ; _BMRB_accession_number 4673 _BMRB_flat_file_name bmr4673.str _Entry_type original _Submission_date 2000-02-26 _Accession_date 2000-02-29 _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 Luecke Christian . . 2 Zhang Fengli . . 3 Hamilton James A. . 4 Sacchettini James C. . 5 Rueterjans Heinz . . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 765 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2000-05-24 original author . stop_ _Original_release_date 2000-05-24 save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full . _Citation_title 'Solution structure of Ileal Lipid Binding Protein in complex with glycocholate' _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code 10806391 _PubMed_ID ? loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Luecke Christian . . 2 Zhang Fengli . . 3 Hamilton James A. . 4 Sacchettini James C. . 5 Rueterjans Heinz . . stop_ _Journal_abbreviation 'Eur. J. Biochem.' _Journal_name_full 'European Journal of Biochemistry' _Journal_volume 267 _Journal_issue . _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 2929 _Page_last 2938 _Year 2000 _Details . loop_ _Keyword 'lipid binding protein' 'NMR spectroscopy' 'protein-ligand interaction' 'bile acid binding' stop_ save_ ####################################### # Cited references within the entry # ####################################### save_ref1 _Saveframe_category citation _Citation_full . _Citation_title . _Citation_status . _Citation_type . _CAS_abstract_code . _MEDLINE_UI_code 89008259 _PubMed_ID ? _Journal_abbreviation . _Journal_name_full . _Journal_volume . _Journal_issue . _Journal_CSD . _Book_title . _Book_chapter_title . _Book_volume . _Book_series . _Book_publisher . _Book_publisher_city . _Book_ISBN . _Conference_title . _Conference_site . _Conference_state_province . _Conference_country . _Conference_start_date . _Conference_end_date . _Conference_abstract_number . _Thesis_institution . _Thesis_institution_city . _Thesis_institution_country . _Page_first . _Page_last . _Year . _Details . save_ ################################## # Molecular system description # ################################## save_system_ILBP _Saveframe_category molecular_system _Mol_system_name 'ileal lipid binding protein' _Abbreviation_common ILBP _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label ILBP $ILBP glycocholate $GCH stop_ _System_molecular_weight . _System_physical_state native _System_oligomer_state monomer _System_paramagnetic no _System_thiol_state 'all free' loop_ _Biological_function 'lipid binding protein' stop_ _Database_query_date . _Details . save_ ######################## # Monomeric polymers # ######################## save_ILBP _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common 'ileal lipid binding protein' _Abbreviation_common ILBP _Molecular_mass 14088 _Mol_thiol_state 'all free' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 127 _Mol_residue_sequence ; AFTGKYEIESEKNYDEFMKR LALPSDAIDKARNLKIISEV KQDGQNFTWSQQYPGGHSIT NTFTIGKECDIETIGGKKFK ATVQMEGGKVVVNSPNYHHT AEIVDGKLVEVSTVGGVSYE RVSKKLA ; loop_ _Residue_seq_code _Residue_label 1 ALA 2 PHE 3 THR 4 GLY 5 LYS 6 TYR 7 GLU 8 ILE 9 GLU 10 SER 11 GLU 12 LYS 13 ASN 14 TYR 15 ASP 16 GLU 17 PHE 18 MET 19 LYS 20 ARG 21 LEU 22 ALA 23 LEU 24 PRO 25 SER 26 ASP 27 ALA 28 ILE 29 ASP 30 LYS 31 ALA 32 ARG 33 ASN 34 LEU 35 LYS 36 ILE 37 ILE 38 SER 39 GLU 40 VAL 41 LYS 42 GLN 43 ASP 44 GLY 45 GLN 46 ASN 47 PHE 48 THR 49 TRP 50 SER 51 GLN 52 GLN 53 TYR 54 PRO 55 GLY 56 GLY 57 HIS 58 SER 59 ILE 60 THR 61 ASN 62 THR 63 PHE 64 THR 65 ILE 66 GLY 67 LYS 68 GLU 69 CYS 70 ASP 71 ILE 72 GLU 73 THR 74 ILE 75 GLY 76 GLY 77 LYS 78 LYS 79 PHE 80 LYS 81 ALA 82 THR 83 VAL 84 GLN 85 MET 86 GLU 87 GLY 88 GLY 89 LYS 90 VAL 91 VAL 92 VAL 93 ASN 94 SER 95 PRO 96 ASN 97 TYR 98 HIS 99 HIS 100 THR 101 ALA 102 GLU 103 ILE 104 VAL 105 ASP 106 GLY 107 LYS 108 LEU 109 VAL 110 GLU 111 VAL 112 SER 113 THR 114 VAL 115 GLY 116 GLY 117 VAL 118 SER 119 TYR 120 GLU 121 ARG 122 VAL 123 SER 124 LYS 125 LYS 126 LEU 127 ALA stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date 2015-09-29 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 PDB 1EAL "Nmr Study Of Ileal Lipid Binding Protein" 99.21 127 100.00 100.00 1.92e-86 PDB 1EIO "Ileal Lipid Binding Protein In Complex With Glycocholate" 100.00 127 100.00 100.00 2.41e-87 GB AAA77657 "gastrotropin precursor [Sus scrofa]" 100.00 154 99.21 100.00 2.70e-86 REF NP_999380 "gastrotropin [Sus scrofa]" 100.00 128 100.00 100.00 2.33e-87 SP P10289 "RecName: Full=Gastrotropin; Short=GT; AltName: Full=Fatty acid-binding protein 6; AltName: Full=Ileal lipid-binding protein; Sh" 100.00 128 99.21 100.00 7.35e-87 stop_ save_ ############# # Ligands # ############# save_GCH _Saveframe_category ligand _Mol_type non-polymer _Name_common "GCH (GLYCOCHOLIC ACID)" _BMRB_code . _PDB_code GCH _Molecular_mass 465.623 _Mol_charge 0 _Mol_paramagnetic . _Mol_aromatic no _Details ; Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Wed Aug 24 12:58:27 2011 ; loop_ _Atom_name _PDB_atom_name _Atom_type _Atom_chirality _Atom_charge _Atom_oxidation_number _Atom_unpaired_electrons C C C . 0 . ? O O O . 0 . ? C1 C1 C . 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 . ? O1 O1 O . 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 . ? C19 C19 C . 0 . ? C20 C20 C . 0 . ? C21 C21 C . 0 . ? C22 C22 C . 0 . ? N N N . 0 . ? CA CA C . 0 . ? O2 O2 O . 0 . ? C23 C23 C . 0 . ? O3 O3 O . 0 . ? C24 C24 C . 0 . ? O4 O4 O . 0 . ? O5 O5 O . 0 . ? H12 H12 H . 0 . ? H1 H1 H . 0 . ? H10 H10 H . 0 . ? H11 H11 H . 0 . ? H9 H9 H . 0 . ? H4 H4 H . 0 . ? H5 H5 H . 0 . ? H2 H2 H . 0 . ? H3 H3 H . 0 . ? H6 H6 H . 0 . ? H7 H7 H . 0 . ? H8 H8 H . 0 . ? H17 H17 H . 0 . ? H18 H18 H . 0 . ? H16 H16 H . 0 . ? H13 H13 H . 0 . ? H15 H15 H . 0 . ? H14 H14 H . 0 . ? H41 H41 H . 0 . ? H42 H42 H . 0 . ? H40 H40 H . 0 . ? H35 H35 H . 0 . ? H33 H33 H . 0 . ? H34 H34 H . 0 . ? H31 H31 H . 0 . ? H32 H32 H . 0 . ? H30 H30 H . 0 . ? H29 H29 H . 0 . ? H19 H19 H . 0 . ? H20 H20 H . 0 . ? H21 H21 H . 0 . ? H27 H27 H . 0 . ? H28 H28 H . 0 . ? H25 H25 H . 0 . ? H26 H26 H . 0 . ? H24 H24 H . 0 . ? H22 H22 H . 0 . ? H23 H23 H . 0 . ? H36 H36 H . 0 . ? H37 H37 H . 0 . ? H38 H38 H . 0 . ? H39 H39 H . 0 . ? H43 H43 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 SING C O ? ? SING C C1 ? ? SING C C5 ? ? SING C H12 ? ? SING O H1 ? ? SING C1 C2 ? ? SING C1 H10 ? ? SING C1 H11 ? ? SING C2 C3 ? ? SING C2 C7 ? ? SING C2 H9 ? ? SING C3 C4 ? ? SING C3 C6 ? ? SING C3 C10 ? ? SING C4 C5 ? ? SING C4 H4 ? ? SING C4 H5 ? ? SING C5 H2 ? ? SING C5 H3 ? ? SING C6 H6 ? ? SING C6 H7 ? ? SING C6 H8 ? ? SING C7 C8 ? ? SING C7 H17 ? ? SING C7 H18 ? ? SING C8 O1 ? ? SING C8 C9 ? ? SING C8 H16 ? ? SING O1 H13 ? ? SING C9 C10 ? ? SING C9 C14 ? ? SING C9 H15 ? ? SING C10 C11 ? ? SING C10 H14 ? ? SING C11 C12 ? ? SING C11 H41 ? ? SING C11 H42 ? ? SING C12 C13 ? ? SING C12 O3 ? ? SING C12 H40 ? ? SING C13 C14 ? ? SING C13 C17 ? ? SING C13 C23 ? ? SING C14 C15 ? ? SING C14 H35 ? ? SING C15 C16 ? ? SING C15 H33 ? ? SING C15 H34 ? ? SING C16 C17 ? ? SING C16 H31 ? ? SING C16 H32 ? ? SING C17 C18 ? ? SING C17 H30 ? ? SING C18 C19 ? ? SING C18 C20 ? ? SING C18 H29 ? ? SING C19 H19 ? ? SING C19 H20 ? ? SING C19 H21 ? ? SING C20 C21 ? ? SING C20 H27 ? ? SING C20 H28 ? ? SING C21 C22 ? ? SING C21 H25 ? ? SING C21 H26 ? ? SING C22 N ? ? DOUB C22 O2 ? ? SING N CA ? ? SING N H24 ? ? SING CA C24 ? ? SING CA H22 ? ? SING CA H23 ? ? SING C23 H36 ? ? SING C23 H37 ? ? SING C23 H38 ? ? SING O3 H39 ? ? SING C24 O4 ? ? DOUB C24 O5 ? ? SING O4 H43 ? ? 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 _Organ $ILBP pig 9823 Eukaryota Metazoa Sus scrofa ileum 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 $ILBP 'recombinant technology' . . . . . 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 _Concentration_min_value _Concentration_max_value _Isotopic_labeling $ILBP . mM 3 4 . stop_ save_ ############################ # Computer software used # ############################ save_XWINNMR _Saveframe_category software _Name XWINNMR _Version 1.3 loop_ _Task 'data acquisition and processing' stop_ _Details . save_ save_AURELIA _Saveframe_category software _Name AURELIA _Version 2.1 loop_ _Task 'data analysis' stop_ _Details . save_ save_FELIX _Saveframe_category software _Name FELIX _Version 95.0 loop_ _Task 'data analysis' stop_ _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model DMX _Field_strength 500 _Details . save_ save_spectrometer_2 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model DMX _Field_strength 600 _Details . save_ save_spectrometer_3 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model DRX _Field_strength 800 _Details . save_ ############################# # NMR applied experiments # ############################# save_1H-1H_TOCSY_1 _Saveframe_category NMR_applied_experiment _Experiment_name '1H-1H TOCSY' _Sample_label $sample_1 save_ save_1H-1H_NOESY_2 _Saveframe_category NMR_applied_experiment _Experiment_name '1H-1H NOESY' _Sample_label $sample_1 save_ save_1H-13C_NOESY_3 _Saveframe_category NMR_applied_experiment _Experiment_name '1H-13C NOESY' _Sample_label $sample_1 save_ ####################### # Sample conditions # ####################### save_cond1 _Saveframe_category sample_conditions _Details . loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units pH 5.0 0.2 pH temperature 310 0.1 K stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference _Saveframe_category chemical_shift_reference _Details . loop_ _Mol_common_name _Atom_type _Atom_isotope_number _Atom_group _Chem_shift_units _Chem_shift_value _Reference_method _Reference_type _External_reference_sample_geometry _External_reference_location _External_reference_axis _Indirect_shift_ratio DSS H 1 'methyl protons' ppm 0.0 internal direct . . . 1.0 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_chemical_shifts _Saveframe_category assigned_chemical_shifts _Details . loop_ _Sample_label $sample_1 stop_ _Sample_conditions_label $cond1 _Chem_shift_reference_set_label $chemical_shift_reference _Mol_system_component_name ILBP _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 ALA HA H 4.19 0.01 1 2 . 1 ALA HB H 1.21 0.01 1 3 . 2 PHE H H 8.17 0.01 1 4 . 2 PHE HA H 4.18 0.01 1 5 . 2 PHE HB2 H 3.02 0.01 1 6 . 2 PHE HB3 H 3.02 0.01 1 7 . 2 PHE HD1 H 7.39 0.01 1 8 . 2 PHE HD2 H 7.39 0.01 1 9 . 2 PHE HE1 H 7.32 0.01 1 10 . 2 PHE HE2 H 7.32 0.01 1 11 . 2 PHE HZ H 7.88 0.01 1 12 . 3 THR H H 7.41 0.01 1 13 . 3 THR HA H 4.08 0.01 1 14 . 3 THR HB H 4.02 0.01 1 15 . 3 THR HG2 H 1.38 0.01 1 16 . 4 GLY H H 8.88 0.01 1 17 . 4 GLY HA2 H 3.94 0.01 2 18 . 4 GLY HA3 H 3.89 0.01 2 19 . 5 LYS H H 8.01 0.01 1 20 . 5 LYS HA H 5.26 0.01 1 21 . 5 LYS HB2 H 1.58 0.01 1 22 . 5 LYS HB3 H 1.58 0.01 1 23 . 5 LYS HG2 H 1.23 0.01 1 24 . 5 LYS HG3 H 1.37 0.01 1 25 . 5 LYS HD2 H 1.61 0.01 1 26 . 5 LYS HD3 H 1.61 0.01 1 27 . 5 LYS HE2 H 2.83 0.01 1 28 . 5 LYS HE3 H 2.83 0.01 1 29 . 6 TYR H H 9.52 0.01 1 30 . 6 TYR HA H 5.74 0.01 1 31 . 6 TYR HB2 H 2.89 0.01 2 32 . 6 TYR HB3 H 2.59 0.01 2 33 . 6 TYR HD1 H 6.76 0.01 1 34 . 6 TYR HD2 H 6.76 0.01 1 35 . 6 TYR HE1 H 6.58 0.01 1 36 . 6 TYR HE2 H 6.58 0.01 1 37 . 7 GLU H H 9.19 0.01 1 38 . 7 GLU HA H 5.25 0.01 1 39 . 7 GLU HB2 H 1.97 0.01 1 40 . 7 GLU HB3 H 1.97 0.01 1 41 . 7 GLU HG2 H 2.29 0.01 1 42 . 7 GLU HG3 H 2.03 0.01 1 43 . 8 ILE H H 7.68 0.01 1 44 . 8 ILE HA H 4.35 0.01 1 45 . 8 ILE HB H 1.87 0.01 1 46 . 8 ILE HG12 H 1.83 0.01 2 47 . 8 ILE HG13 H 1.36 0.01 2 48 . 8 ILE HG2 H 1.07 0.01 1 49 . 8 ILE HD1 H 0.98 0.01 1 50 . 9 GLU H H 10.19 0.01 1 51 . 9 GLU HA H 4.75 0.01 1 52 . 9 GLU HB2 H 2.09 0.01 1 53 . 9 GLU HB3 H 2.09 0.01 1 54 . 9 GLU HG2 H 2.22 0.01 1 55 . 9 GLU HG3 H 2.22 0.01 1 56 . 10 SER H H 8.36 0.01 1 57 . 10 SER HA H 4.88 0.01 1 58 . 10 SER HB2 H 3.93 0.01 2 59 . 10 SER HB3 H 3.89 0.01 2 60 . 11 GLU H H 8.41 0.01 1 61 . 11 GLU HA H 5.42 0.01 1 62 . 11 GLU HB2 H 2.33 0.01 2 63 . 11 GLU HB3 H 2.21 0.01 2 64 . 11 GLU HG2 H 2.40 0.01 2 65 . 11 GLU HG3 H 2.36 0.01 2 66 . 12 LYS H H 9.16 0.01 1 67 . 12 LYS HA H 4.79 0.01 1 68 . 12 LYS HB2 H 1.85 0.01 2 69 . 12 LYS HB3 H 1.72 0.01 2 70 . 12 LYS HG2 H 1.52 0.01 2 71 . 12 LYS HG3 H 1.44 0.01 2 72 . 12 LYS HD2 H 1.62 0.01 1 73 . 12 LYS HD3 H 1.62 0.01 1 74 . 12 LYS HE2 H 2.97 0.01 1 75 . 12 LYS HE3 H 2.97 0.01 1 76 . 13 ASN H H 9.14 0.01 1 77 . 13 ASN HA H 4.77 0.01 1 78 . 13 ASN HB2 H 3.61 0.01 2 79 . 13 ASN HB3 H 3.31 0.01 2 80 . 13 ASN HD21 H 7.88 0.01 2 81 . 13 ASN HD22 H 7.06 0.01 2 82 . 14 TYR H H 8.45 0.01 1 83 . 14 TYR HA H 3.79 0.01 1 84 . 14 TYR HB2 H 3.10 0.01 1 85 . 14 TYR HB3 H 2.95 0.01 1 86 . 14 TYR HD1 H 6.95 0.01 1 87 . 14 TYR HD2 H 6.95 0.01 1 88 . 14 TYR HE1 H 6.70 0.01 1 89 . 14 TYR HE2 H 6.70 0.01 1 90 . 15 ASP H H 8.54 0.01 1 91 . 15 ASP HA H 3.90 0.01 1 92 . 15 ASP HB2 H 2.56 0.01 1 93 . 15 ASP HB3 H 2.69 0.01 1 94 . 16 GLU H H 8.61 0.01 1 95 . 16 GLU HA H 3.90 0.01 1 96 . 16 GLU HB2 H 1.98 0.01 1 97 . 16 GLU HB3 H 1.98 0.01 1 98 . 16 GLU HG2 H 2.45 0.01 2 99 . 16 GLU HG3 H 2.39 0.01 2 100 . 17 PHE H H 7.92 0.01 1 101 . 17 PHE HA H 3.98 0.01 1 102 . 17 PHE HB2 H 3.05 0.01 2 103 . 17 PHE HB3 H 2.96 0.01 2 104 . 17 PHE HD1 H 6.89 0.01 1 105 . 17 PHE HD2 H 6.89 0.01 1 106 . 17 PHE HE1 H 7.17 0.01 1 107 . 17 PHE HE2 H 7.17 0.01 1 108 . 17 PHE HZ H 7.24 0.01 1 109 . 18 MET H H 8.22 0.01 1 110 . 18 MET HA H 3.96 0.01 1 111 . 18 MET HB2 H 1.75 0.01 1 112 . 18 MET HB3 H 1.71 0.01 1 113 . 18 MET HG2 H 2.10 0.01 1 114 . 18 MET HG3 H 1.53 0.01 1 115 . 18 MET HE H 1.91 0.01 1 116 . 19 LYS H H 7.76 0.01 1 117 . 19 LYS HA H 4.03 0.01 1 118 . 19 LYS HB2 H 1.84 0.01 1 119 . 19 LYS HB3 H 1.84 0.01 1 120 . 19 LYS HG2 H 1.38 0.01 1 121 . 19 LYS HG3 H 1.38 0.01 1 122 . 19 LYS HD2 H 1.60 0.01 1 123 . 19 LYS HD3 H 1.60 0.01 1 124 . 19 LYS HE2 H 2.91 0.01 1 125 . 19 LYS HE3 H 2.91 0.01 1 126 . 20 ARG H H 7.72 0.01 1 127 . 20 ARG HA H 4.15 0.01 1 128 . 20 ARG HB2 H 1.91 0.01 1 129 . 20 ARG HB3 H 1.91 0.01 1 130 . 20 ARG HG2 H 1.91 0.01 2 131 . 20 ARG HG3 H 1.65 0.01 2 132 . 20 ARG HD2 H 3.30 0.01 2 133 . 20 ARG HD3 H 3.22 0.01 2 134 . 20 ARG HE H 7.41 0.01 1 135 . 21 LEU H H 7.32 0.01 1 136 . 21 LEU HA H 4.01 0.01 1 137 . 21 LEU HB2 H 1.56 0.01 2 138 . 21 LEU HB3 H 1.44 0.01 2 139 . 21 LEU HG H 1.30 0.01 1 140 . 21 LEU HD1 H 0.66 0.01 2 141 . 21 LEU HD2 H 0.64 0.01 2 142 . 22 ALA H H 7.81 0.01 1 143 . 22 ALA HA H 3.98 0.01 1 144 . 22 ALA HB H 1.38 0.01 1 145 . 23 LEU H H 7.08 0.01 1 146 . 23 LEU HA H 4.52 0.01 1 147 . 23 LEU HB2 H 1.33 0.01 1 148 . 23 LEU HB3 H 1.33 0.01 1 149 . 23 LEU HG H 1.59 0.01 1 150 . 23 LEU HD1 H 0.86 0.01 2 151 . 23 LEU HD2 H 0.84 0.01 2 152 . 24 PRO HA H 4.53 0.01 1 153 . 24 PRO HB2 H 2.42 0.01 1 154 . 24 PRO HB3 H 2.42 0.01 1 155 . 24 PRO HG2 H 2.11 0.01 1 156 . 24 PRO HG3 H 2.11 0.01 1 157 . 24 PRO HD2 H 3.51 0.01 1 158 . 24 PRO HD3 H 3.89 0.01 1 159 . 25 SER H H 8.65 0.01 1 160 . 25 SER HA H 3.98 0.01 1 161 . 25 SER HB2 H 3.95 0.01 1 162 . 25 SER HB3 H 3.95 0.01 1 163 . 26 ASP H H 8.68 0.01 1 164 . 26 ASP HA H 4.46 0.01 1 165 . 26 ASP HB2 H 2.68 0.01 1 166 . 26 ASP HB3 H 2.68 0.01 1 167 . 27 ALA H H 7.32 0.01 1 168 . 27 ALA HA H 4.13 0.01 1 169 . 27 ALA HB H 1.49 0.01 1 170 . 28 ILE H H 7.66 0.01 1 171 . 28 ILE HA H 3.62 0.01 1 172 . 28 ILE HB H 1.95 0.01 1 173 . 28 ILE HG12 H 0.59 0.01 1 174 . 28 ILE HG13 H 1.69 0.01 1 175 . 28 ILE HG2 H 0.90 0.01 1 176 . 28 ILE HD1 H 0.66 0.01 1 177 . 29 ASP H H 8.21 0.01 1 178 . 29 ASP HA H 4.56 0.01 1 179 . 29 ASP HB2 H 2.78 0.01 2 180 . 29 ASP HB3 H 2.76 0.01 2 181 . 30 LYS H H 7.88 0.01 1 182 . 30 LYS HA H 4.13 0.01 1 183 . 30 LYS HB2 H 1.89 0.01 1 184 . 30 LYS HB3 H 1.89 0.01 1 185 . 30 LYS HG2 H 1.63 0.01 2 186 . 30 LYS HG3 H 1.52 0.01 2 187 . 30 LYS HD2 H 1.69 0.01 1 188 . 30 LYS HD3 H 1.69 0.01 1 189 . 30 LYS HE2 H 2.98 0.01 1 190 . 30 LYS HE3 H 2.98 0.01 1 191 . 31 ALA H H 7.32 0.01 1 192 . 31 ALA HA H 4.55 0.01 1 193 . 31 ALA HB H 1.57 0.01 1 194 . 32 ARG H H 7.10 0.01 1 195 . 32 ARG HA H 3.46 0.01 1 196 . 32 ARG HB2 H 1.95 0.01 2 197 . 32 ARG HB3 H 1.78 0.01 2 198 . 32 ARG HG2 H 1.46 0.01 1 199 . 32 ARG HG3 H 1.46 0.01 1 200 . 32 ARG HD2 H 3.40 0.01 2 201 . 32 ARG HD3 H 3.21 0.01 2 202 . 32 ARG HE H 7.74 0.01 1 203 . 33 ASN H H 9.10 0.01 1 204 . 33 ASN HA H 4.38 0.01 1 205 . 33 ASN HB2 H 3.02 0.01 2 206 . 33 ASN HB3 H 2.78 0.01 2 207 . 33 ASN HD21 H 7.60 0.01 2 208 . 33 ASN HD22 H 6.86 0.01 2 209 . 34 LEU H H 7.53 0.01 1 210 . 34 LEU HA H 4.34 0.01 1 211 . 34 LEU HB2 H 1.82 0.01 2 212 . 34 LEU HB3 H 1.25 0.01 2 213 . 34 LEU HG H 1.60 0.01 1 214 . 34 LEU HD1 H 1.07 0.01 1 215 . 34 LEU HD2 H 0.92 0.01 1 216 . 35 LYS H H 8.53 0.01 1 217 . 35 LYS HA H 4.25 0.01 1 218 . 35 LYS HB2 H 1.83 0.01 1 219 . 35 LYS HB3 H 1.83 0.01 1 220 . 35 LYS HG2 H 1.52 0.01 2 221 . 35 LYS HG3 H 1.39 0.01 2 222 . 35 LYS HD2 H 1.72 0.01 1 223 . 35 LYS HD3 H 1.72 0.01 1 224 . 35 LYS HE2 H 3.05 0.01 1 225 . 35 LYS HE3 H 3.05 0.01 1 226 . 36 ILE H H 6.76 0.01 1 227 . 36 ILE HA H 4.08 0.01 1 228 . 36 ILE HB H 1.48 0.01 1 229 . 36 ILE HG12 H 1.40 0.01 2 230 . 36 ILE HG13 H 0.51 0.01 2 231 . 36 ILE HG2 H 0.62 0.01 1 232 . 36 ILE HD1 H 0.79 0.01 1 233 . 37 ILE H H 8.41 0.01 1 234 . 37 ILE HA H 5.26 0.01 1 235 . 37 ILE HB H 1.91 0.01 1 236 . 37 ILE HG12 H 1.69 0.01 2 237 . 37 ILE HG13 H 1.31 0.01 2 238 . 37 ILE HG2 H 0.90 0.01 1 239 . 37 ILE HD1 H 0.90 0.01 1 240 . 38 SER H H 9.37 0.01 1 241 . 38 SER HA H 5.75 0.01 1 242 . 38 SER HB2 H 3.74 0.01 2 243 . 38 SER HB3 H 3.60 0.01 2 244 . 38 SER HG H 6.25 0.01 1 245 . 39 GLU H H 9.24 0.01 1 246 . 39 GLU HA H 5.17 0.01 1 247 . 39 GLU HB2 H 1.80 0.01 1 248 . 39 GLU HB3 H 1.80 0.01 1 249 . 39 GLU HG2 H 2.12 0.01 2 250 . 39 GLU HG3 H 2.01 0.01 2 251 . 40 VAL H H 9.22 0.01 1 252 . 40 VAL HA H 4.64 0.01 1 253 . 40 VAL HB H 1.95 0.01 1 254 . 40 VAL HG1 H 0.51 0.01 2 255 . 40 VAL HG2 H -0.41 0.01 2 256 . 41 LYS H H 9.07 0.01 1 257 . 41 LYS HA H 4.55 0.01 1 258 . 41 LYS HB2 H 1.70 0.01 1 259 . 41 LYS HB3 H 1.84 0.01 1 260 . 41 LYS HG2 H 1.31 0.01 2 261 . 41 LYS HG3 H 1.29 0.01 2 262 . 41 LYS HD2 H 1.65 0.01 1 263 . 41 LYS HD3 H 1.65 0.01 1 264 . 41 LYS HE2 H 2.92 0.01 1 265 . 41 LYS HE3 H 2.92 0.01 1 266 . 42 GLN H H 8.19 0.01 1 267 . 42 GLN HA H 4.22 0.01 1 268 . 42 GLN HB2 H 1.93 0.01 2 269 . 42 GLN HB3 H 1.86 0.01 2 270 . 42 GLN HG2 H 2.25 0.01 2 271 . 42 GLN HG3 H 2.12 0.01 2 272 . 42 GLN HE21 H 7.47 0.01 2 273 . 42 GLN HE22 H 6.93 0.01 2 274 . 43 ASP H H 8.75 0.01 1 275 . 43 ASP HA H 4.77 0.01 1 276 . 43 ASP HB2 H 2.69 0.01 2 277 . 43 ASP HB3 H 2.38 0.01 2 278 . 44 GLY H H 8.81 0.01 1 279 . 44 GLY HA2 H 4.04 0.01 2 280 . 44 GLY HA3 H 3.62 0.01 2 281 . 45 GLN H H 8.93 0.01 1 282 . 45 GLN HA H 4.50 0.01 1 283 . 45 GLN HB2 H 2.06 0.01 1 284 . 45 GLN HB3 H 2.06 0.01 1 285 . 45 GLN HG2 H 2.53 0.01 1 286 . 45 GLN HG3 H 2.40 0.01 1 287 . 45 GLN HE21 H 7.47 0.01 2 288 . 45 GLN HE22 H 6.78 0.01 2 289 . 46 ASN H H 8.11 0.01 1 290 . 46 ASN HA H 5.36 0.01 1 291 . 46 ASN HB2 H 3.03 0.01 1 292 . 46 ASN HB3 H 2.84 0.01 1 293 . 46 ASN HD21 H 7.62 0.01 2 294 . 46 ASN HD22 H 6.86 0.01 2 295 . 47 PHE H H 9.17 0.01 1 296 . 47 PHE HA H 5.15 0.01 1 297 . 47 PHE HB2 H 2.09 0.01 2 298 . 47 PHE HB3 H 1.62 0.01 2 299 . 47 PHE HD1 H 6.94 0.01 1 300 . 47 PHE HD2 H 6.94 0.01 1 301 . 47 PHE HE1 H 6.94 0.01 1 302 . 47 PHE HE2 H 6.94 0.01 1 303 . 47 PHE HZ H 6.93 0.01 1 304 . 48 THR H H 8.71 0.01 1 305 . 48 THR HA H 4.88 0.01 1 306 . 48 THR HB H 3.98 0.01 1 307 . 48 THR HG2 H 1.20 0.01 1 308 . 49 TRP H H 9.76 0.01 1 309 . 49 TRP HA H 5.18 0.01 1 310 . 49 TRP HB2 H 2.89 0.01 1 311 . 49 TRP HB3 H 3.65 0.01 1 312 . 49 TRP HD1 H 6.92 0.01 1 313 . 49 TRP HE1 H 11.32 0.01 1 314 . 49 TRP HE3 H 7.37 0.01 1 315 . 49 TRP HZ2 H 7.36 0.01 1 316 . 49 TRP HZ3 H 6.40 0.01 1 317 . 49 TRP HH2 H 6.74 0.01 1 318 . 50 SER H H 9.72 0.01 1 319 . 50 SER HA H 6.07 0.01 1 320 . 50 SER HB2 H 4.00 0.01 1 321 . 50 SER HB3 H 3.92 0.01 1 322 . 51 GLN H H 9.02 0.01 1 323 . 51 GLN HA H 5.25 0.01 1 324 . 51 GLN HB2 H 2.30 0.01 1 325 . 51 GLN HB3 H 1.77 0.01 1 326 . 51 GLN HG2 H 2.52 0.01 2 327 . 51 GLN HG3 H 2.46 0.01 2 328 . 51 GLN HE21 H 8.13 0.01 2 329 . 51 GLN HE22 H 6.62 0.01 2 330 . 52 GLN H H 9.40 0.01 1 331 . 52 GLN HA H 4.90 0.01 1 332 . 52 GLN HB2 H 2.10 0.01 1 333 . 52 GLN HB3 H 2.10 0.01 1 334 . 52 GLN HG2 H 2.33 0.01 2 335 . 52 GLN HG3 H 2.24 0.01 2 336 . 52 GLN HE21 H 7.32 0.01 2 337 . 52 GLN HE22 H 6.72 0.01 2 338 . 53 TYR H H 8.86 0.01 1 339 . 53 TYR HA H 4.79 0.01 1 340 . 53 TYR HB2 H 3.04 0.01 1 341 . 53 TYR HB3 H 3.04 0.01 1 342 . 53 TYR HD1 H 7.12 0.01 1 343 . 53 TYR HD2 H 7.12 0.01 1 344 . 53 TYR HE1 H 6.77 0.01 1 345 . 53 TYR HE2 H 6.77 0.01 1 346 . 54 PRO HA H 4.49 0.01 1 347 . 54 PRO HB2 H 2.48 0.01 2 348 . 54 PRO HB3 H 2.02 0.01 2 349 . 54 PRO HG2 H 2.29 0.01 2 350 . 54 PRO HG3 H 2.16 0.01 2 351 . 54 PRO HD2 H 3.96 0.01 2 352 . 54 PRO HD3 H 3.75 0.01 2 353 . 55 GLY H H 8.86 0.01 1 354 . 55 GLY HA2 H 4.28 0.01 2 355 . 55 GLY HA3 H 3.83 0.01 2 356 . 56 GLY H H 8.26 0.01 1 357 . 56 GLY HA2 H 4.10 0.01 2 358 . 56 GLY HA3 H 3.94 0.01 2 359 . 57 HIS H H 7.75 0.01 1 360 . 57 HIS HA H 4.86 0.01 1 361 . 57 HIS HB2 H 3.06 0.01 1 362 . 57 HIS HB3 H 3.15 0.01 1 363 . 57 HIS HD2 H 7.11 0.01 1 364 . 57 HIS HE1 H 8.34 0.01 1 365 . 58 SER H H 8.45 0.01 1 366 . 58 SER HA H 5.61 0.01 1 367 . 58 SER HB2 H 3.84 0.01 2 368 . 58 SER HB3 H 3.81 0.01 2 369 . 59 ILE H H 8.86 0.01 1 370 . 59 ILE HA H 4.60 0.01 1 371 . 59 ILE HB H 1.92 0.01 1 372 . 59 ILE HG12 H 1.51 0.01 2 373 . 59 ILE HG13 H 1.23 0.01 2 374 . 59 ILE HG2 H 0.97 0.01 1 375 . 59 ILE HD1 H 0.91 0.01 1 376 . 60 THR H H 8.78 0.01 1 377 . 60 THR HA H 5.06 0.01 1 378 . 60 THR HB H 3.95 0.01 1 379 . 60 THR HG2 H 1.15 0.01 1 380 . 61 ASN H H 8.95 0.01 1 381 . 61 ASN HA H 5.39 0.01 1 382 . 61 ASN HB2 H 2.80 0.01 1 383 . 61 ASN HB3 H 2.63 0.01 1 384 . 62 THR H H 8.84 0.01 1 385 . 62 THR HA H 5.44 0.01 1 386 . 62 THR HB H 4.15 0.01 1 387 . 62 THR HG2 H 1.26 0.01 1 388 . 63 PHE H H 8.62 0.01 1 389 . 63 PHE HA H 5.37 0.01 1 390 . 63 PHE HB2 H 3.25 0.01 2 391 . 63 PHE HB3 H 3.08 0.01 2 392 . 63 PHE HD1 H 6.66 0.01 1 393 . 63 PHE HD2 H 6.66 0.01 1 394 . 63 PHE HE1 H 6.58 0.01 1 395 . 63 PHE HE2 H 6.58 0.01 1 396 . 63 PHE HZ H 6.41 0.01 1 397 . 64 THR H H 7.47 0.01 1 398 . 64 THR HA H 5.52 0.01 1 399 . 64 THR HB H 3.66 0.01 1 400 . 64 THR HG2 H 1.38 0.01 1 401 . 65 ILE H H 8.95 0.01 1 402 . 65 ILE HA H 4.05 0.01 1 403 . 65 ILE HB H 2.27 0.01 1 404 . 65 ILE HG12 H 2.14 0.01 1 405 . 65 ILE HG13 H 1.73 0.01 1 406 . 65 ILE HG2 H 1.13 0.01 1 407 . 65 ILE HD1 H 0.77 0.01 1 408 . 66 GLY H H 9.19 0.01 1 409 . 66 GLY HA2 H 4.35 0.01 2 410 . 66 GLY HA3 H 3.68 0.01 2 411 . 67 LYS H H 7.83 0.01 1 412 . 67 LYS HA H 4.77 0.01 1 413 . 67 LYS HB2 H 1.92 0.01 2 414 . 67 LYS HB3 H 1.82 0.01 2 415 . 67 LYS HG2 H 1.48 0.01 2 416 . 67 LYS HG3 H 1.41 0.01 2 417 . 67 LYS HD2 H 1.78 0.01 2 418 . 67 LYS HD3 H 1.73 0.01 2 419 . 67 LYS HE2 H 3.10 0.01 1 420 . 67 LYS HE3 H 3.10 0.01 1 421 . 68 GLU H H 8.30 0.01 1 422 . 68 GLU HA H 4.29 0.01 1 423 . 68 GLU HB2 H 2.01 0.01 1 424 . 68 GLU HB3 H 1.91 0.01 1 425 . 68 GLU HG2 H 2.23 0.01 1 426 . 68 GLU HG3 H 2.23 0.01 1 427 . 69 CYS H H 9.07 0.01 1 428 . 69 CYS HA H 5.29 0.01 1 429 . 69 CYS HB2 H 2.82 0.01 1 430 . 69 CYS HB3 H 3.59 0.01 1 431 . 70 ASP H H 8.60 0.01 1 432 . 70 ASP HA H 5.01 0.01 1 433 . 70 ASP HB2 H 2.64 0.01 1 434 . 70 ASP HB3 H 2.43 0.01 1 435 . 71 ILE H H 9.08 0.01 1 436 . 71 ILE HA H 4.31 0.01 1 437 . 71 ILE HB H 1.43 0.01 1 438 . 71 ILE HG12 H 1.22 0.01 2 439 . 71 ILE HG13 H 1.01 0.01 2 440 . 71 ILE HG2 H 0.56 0.01 1 441 . 71 ILE HD1 H 0.42 0.01 1 442 . 72 GLU H H 9.19 0.01 1 443 . 72 GLU HA H 5.09 0.01 1 444 . 72 GLU HB2 H 1.98 0.01 2 445 . 72 GLU HB3 H 1.88 0.01 2 446 . 72 GLU HG2 H 2.37 0.01 2 447 . 72 GLU HG3 H 2.13 0.01 2 448 . 73 THR H H 8.44 0.01 1 449 . 73 THR HA H 4.73 0.01 1 450 . 73 THR HB H 4.13 0.01 1 451 . 73 THR HG2 H 1.35 0.01 1 452 . 74 ILE H H 8.43 0.01 1 453 . 74 ILE HA H 3.99 0.01 1 454 . 74 ILE HB H 1.76 0.01 1 455 . 74 ILE HG12 H 1.34 0.01 2 456 . 74 ILE HG13 H 0.99 0.01 2 457 . 74 ILE HG2 H 0.85 0.01 1 458 . 74 ILE HD1 H 0.70 0.01 1 459 . 75 GLY H H 8.27 0.01 1 460 . 75 GLY HA2 H 3.99 0.01 2 461 . 75 GLY HA3 H 3.81 0.01 2 462 . 76 GLY H H 8.16 0.01 1 463 . 76 GLY HA2 H 4.18 0.01 2 464 . 76 GLY HA3 H 3.94 0.01 2 465 . 77 LYS H H 7.11 0.01 1 466 . 77 LYS HA H 4.26 0.01 1 467 . 77 LYS HB2 H 1.72 0.01 2 468 . 77 LYS HB3 H 1.58 0.01 2 469 . 77 LYS HG2 H 1.29 0.01 2 470 . 77 LYS HG3 H 1.17 0.01 2 471 . 77 LYS HD2 H 1.50 0.01 1 472 . 77 LYS HD3 H 1.50 0.01 1 473 . 77 LYS HE2 H 2.89 0.01 1 474 . 77 LYS HE3 H 2.89 0.01 1 475 . 78 LYS H H 8.03 0.01 1 476 . 78 LYS HA H 5.22 0.01 1 477 . 78 LYS HB2 H 1.55 0.01 1 478 . 78 LYS HB3 H 1.55 0.01 1 479 . 78 LYS HG2 H 1.35 0.01 2 480 . 78 LYS HG3 H 1.20 0.01 2 481 . 78 LYS HD2 H 1.63 0.01 1 482 . 78 LYS HD3 H 1.63 0.01 1 483 . 78 LYS HE2 H 2.92 0.01 1 484 . 78 LYS HE3 H 2.92 0.01 1 485 . 79 PHE H H 8.50 0.01 1 486 . 79 PHE HA H 4.90 0.01 1 487 . 79 PHE HB2 H 2.98 0.01 2 488 . 79 PHE HB3 H 2.65 0.01 2 489 . 79 PHE HD1 H 6.95 0.01 1 490 . 79 PHE HD2 H 6.95 0.01 1 491 . 79 PHE HE1 H 6.96 0.01 1 492 . 79 PHE HE2 H 6.96 0.01 1 493 . 79 PHE HZ H 6.85 0.01 1 494 . 80 LYS H H 8.44 0.01 1 495 . 80 LYS HA H 4.96 0.01 1 496 . 80 LYS HB2 H 1.76 0.01 1 497 . 80 LYS HB3 H 1.76 0.01 1 498 . 80 LYS HG2 H 1.39 0.01 1 499 . 80 LYS HG3 H 1.39 0.01 1 500 . 80 LYS HD2 H 1.63 0.01 2 501 . 80 LYS HD3 H 1.54 0.01 2 502 . 80 LYS HE2 H 2.97 0.01 1 503 . 80 LYS HE3 H 2.97 0.01 1 504 . 81 ALA H H 8.95 0.01 1 505 . 81 ALA HA H 4.82 0.01 1 506 . 81 ALA HB H 1.13 0.01 1 507 . 82 THR H H 8.60 0.01 1 508 . 82 THR HA H 4.84 0.01 1 509 . 82 THR HB H 4.08 0.01 1 510 . 82 THR HG2 H 1.01 0.01 1 511 . 83 VAL HA H 4.67 0.01 1 512 . 83 VAL HB H 1.79 0.01 1 513 . 83 VAL HG1 H 0.51 0.01 2 514 . 83 VAL HG2 H 0.18 0.01 2 515 . 84 GLN H H 8.93 0.01 1 516 . 84 GLN HA H 5.02 0.01 1 517 . 84 GLN HB2 H 1.80 0.01 1 518 . 84 GLN HB3 H 1.80 0.01 1 519 . 84 GLN HG2 H 2.36 0.01 2 520 . 84 GLN HG3 H 2.20 0.01 2 521 . 84 GLN HE21 H 7.38 0.01 2 522 . 84 GLN HE22 H 6.83 0.01 2 523 . 85 MET H H 8.65 0.01 1 524 . 85 MET HA H 5.60 0.01 1 525 . 85 MET HB2 H 2.23 0.01 2 526 . 85 MET HB3 H 1.88 0.01 2 527 . 85 MET HG2 H 2.59 0.01 2 528 . 85 MET HG3 H 2.50 0.01 2 529 . 85 MET HE H 2.24 0.01 1 530 . 86 GLU H H 8.97 0.01 1 531 . 86 GLU HA H 4.66 0.01 1 532 . 86 GLU HB2 H 1.97 0.01 2 533 . 86 GLU HB3 H 1.87 0.01 2 534 . 86 GLU HG2 H 2.16 0.01 1 535 . 86 GLU HG3 H 2.16 0.01 1 536 . 87 GLY H H 9.15 0.01 1 537 . 87 GLY HA2 H 3.98 0.01 2 538 . 87 GLY HA3 H 3.84 0.01 2 539 . 88 GLY H H 8.75 0.01 1 540 . 88 GLY HA2 H 4.18 0.01 2 541 . 88 GLY HA3 H 4.05 0.01 2 542 . 89 LYS H H 7.96 0.01 1 543 . 89 LYS HA H 5.19 0.01 1 544 . 89 LYS HB2 H 1.84 0.01 1 545 . 89 LYS HB3 H 1.84 0.01 1 546 . 89 LYS HG2 H 1.47 0.01 2 547 . 89 LYS HG3 H 1.31 0.01 2 548 . 89 LYS HD2 H 1.60 0.01 1 549 . 89 LYS HD3 H 1.60 0.01 1 550 . 89 LYS HE2 H 2.93 0.01 1 551 . 89 LYS HE3 H 2.93 0.01 1 552 . 90 VAL H H 9.03 0.01 1 553 . 90 VAL HA H 4.45 0.01 1 554 . 90 VAL HB H 1.71 0.01 1 555 . 90 VAL HG1 H 0.38 0.01 1 556 . 90 VAL HG2 H 0.44 0.01 1 557 . 91 VAL H H 8.85 0.01 1 558 . 91 VAL HA H 4.67 0.01 1 559 . 91 VAL HB H 1.73 0.01 1 560 . 91 VAL HG1 H 0.83 0.01 2 561 . 91 VAL HG2 H 0.75 0.01 2 562 . 92 VAL H H 9.09 0.01 1 563 . 92 VAL HA H 4.38 0.01 1 564 . 92 VAL HB H 1.93 0.01 1 565 . 92 VAL HG1 H 0.77 0.01 2 566 . 92 VAL HG2 H 0.57 0.01 2 567 . 93 ASN H H 8.86 0.01 1 568 . 93 ASN HA H 5.49 0.01 1 569 . 93 ASN HB2 H 2.59 0.01 1 570 . 93 ASN HB3 H 2.81 0.01 1 571 . 93 ASN HD21 H 7.72 0.01 2 572 . 93 ASN HD22 H 7.02 0.01 2 573 . 94 SER H H 8.60 0.01 1 574 . 94 SER HA H 5.03 0.01 1 575 . 94 SER HB2 H 4.15 0.01 2 576 . 94 SER HB3 H 3.94 0.01 2 577 . 95 PRO HA H 4.32 0.01 1 578 . 95 PRO HB2 H 2.40 0.01 2 579 . 95 PRO HB3 H 1.87 0.01 2 580 . 95 PRO HG2 H 2.19 0.01 2 581 . 95 PRO HG3 H 2.03 0.01 2 582 . 95 PRO HD2 H 3.92 0.01 2 583 . 95 PRO HD3 H 3.81 0.01 2 584 . 96 ASN H H 7.88 0.01 1 585 . 96 ASN HA H 4.68 0.01 1 586 . 96 ASN HB2 H 2.79 0.01 2 587 . 96 ASN HB3 H 2.68 0.01 2 588 . 96 ASN HD21 H 7.65 0.01 2 589 . 96 ASN HD22 H 6.86 0.01 2 590 . 97 TYR H H 7.53 0.01 1 591 . 97 TYR HA H 4.77 0.01 1 592 . 97 TYR HB2 H 2.55 0.01 2 593 . 97 TYR HB3 H 2.50 0.01 2 594 . 97 TYR HD1 H 6.74 0.01 1 595 . 97 TYR HD2 H 6.74 0.01 1 596 . 97 TYR HE1 H 6.59 0.01 1 597 . 97 TYR HE2 H 6.59 0.01 1 598 . 98 HIS H H 7.83 0.01 1 599 . 98 HIS HA H 5.39 0.01 1 600 . 98 HIS HB2 H 3.20 0.01 1 601 . 98 HIS HB3 H 3.08 0.01 1 602 . 98 HIS HD2 H 7.34 0.01 1 603 . 98 HIS HE1 H 8.33 0.01 1 604 . 99 HIS H H 8.70 0.01 1 605 . 99 HIS HA H 5.69 0.01 1 606 . 99 HIS HB2 H 2.86 0.01 2 607 . 99 HIS HB3 H 2.65 0.01 2 608 . 99 HIS HD2 H 6.18 0.01 1 609 . 99 HIS HE1 H 7.59 0.01 1 610 . 100 THR H H 8.56 0.01 1 611 . 100 THR HA H 5.44 0.01 1 612 . 100 THR HB H 3.98 0.01 1 613 . 100 THR HG2 H 1.05 0.01 1 614 . 101 ALA H H 8.72 0.01 1 615 . 101 ALA HA H 5.40 0.01 1 616 . 101 ALA HB H 1.43 0.01 1 617 . 102 GLU H H 8.88 0.01 1 618 . 102 GLU HA H 4.92 0.01 1 619 . 102 GLU HB2 H 1.97 0.01 2 620 . 102 GLU HB3 H 1.93 0.01 2 621 . 102 GLU HG2 H 2.22 0.01 2 622 . 102 GLU HG3 H 2.15 0.01 2 623 . 103 ILE H H 8.43 0.01 1 624 . 103 ILE HA H 5.13 0.01 1 625 . 103 ILE HB H 1.74 0.01 1 626 . 103 ILE HG12 H 0.84 0.01 2 627 . 103 ILE HG13 H 0.52 0.01 2 628 . 103 ILE HG2 H 0.67 0.01 1 629 . 103 ILE HD1 H 0.43 0.01 1 630 . 104 VAL H H 9.14 0.01 1 631 . 104 VAL HA H 4.22 0.01 1 632 . 104 VAL HB H 1.88 0.01 1 633 . 104 VAL HG1 H 0.87 0.01 2 634 . 104 VAL HG2 H 0.78 0.01 2 635 . 105 ASP H H 9.35 0.01 1 636 . 105 ASP HA H 4.29 0.01 1 637 . 105 ASP HB2 H 3.00 0.01 2 638 . 105 ASP HB3 H 2.59 0.01 2 639 . 106 GLY H H 8.00 0.01 1 640 . 106 GLY HA2 H 3.55 0.01 1 641 . 106 GLY HA3 H 4.17 0.01 1 642 . 107 LYS H H 7.81 0.01 1 643 . 107 LYS HA H 4.81 0.01 1 644 . 107 LYS HB2 H 1.80 0.01 1 645 . 107 LYS HB3 H 1.80 0.01 1 646 . 107 LYS HG2 H 1.51 0.01 1 647 . 107 LYS HG3 H 1.51 0.01 1 648 . 107 LYS HD2 H 1.68 0.01 1 649 . 107 LYS HD3 H 1.68 0.01 1 650 . 107 LYS HE2 H 3.00 0.01 1 651 . 107 LYS HE3 H 3.00 0.01 1 652 . 108 LEU H H 8.35 0.01 1 653 . 108 LEU HA H 4.61 0.01 1 654 . 108 LEU HB2 H 1.36 0.01 2 655 . 108 LEU HB3 H 0.23 0.01 2 656 . 108 LEU HG H 1.43 0.01 1 657 . 108 LEU HD1 H 0.88 0.01 2 658 . 108 LEU HD2 H 0.52 0.01 2 659 . 109 VAL H H 9.57 0.01 1 660 . 109 VAL HA H 4.76 0.01 1 661 . 109 VAL HB H 2.04 0.01 1 662 . 109 VAL HG1 H 0.80 0.01 1 663 . 109 VAL HG2 H 0.94 0.01 1 664 . 110 GLU H H 9.25 0.01 1 665 . 110 GLU HA H 5.33 0.01 1 666 . 110 GLU HB2 H 2.01 0.01 2 667 . 110 GLU HB3 H 1.93 0.01 2 668 . 110 GLU HG2 H 2.21 0.01 2 669 . 110 GLU HG3 H 2.12 0.01 2 670 . 111 VAL H H 8.45 0.01 1 671 . 111 VAL HA H 4.87 0.01 1 672 . 111 VAL HB H 1.92 0.01 1 673 . 111 VAL HG1 H 0.74 0.01 2 674 . 111 VAL HG2 H 0.72 0.01 2 675 . 112 SER H H 8.81 0.01 1 676 . 112 SER HA H 5.63 0.01 1 677 . 112 SER HB2 H 3.42 0.01 1 678 . 112 SER HB3 H 4.00 0.01 1 679 . 113 THR H H 9.44 0.01 1 680 . 113 THR HA H 5.68 0.01 1 681 . 113 THR HB H 3.79 0.01 1 682 . 113 THR HG2 H 1.01 0.01 1 683 . 114 VAL H H 8.78 0.01 1 684 . 114 VAL HA H 4.35 0.01 1 685 . 114 VAL HB H 1.78 0.01 1 686 . 114 VAL HG1 H 0.85 0.01 1 687 . 114 VAL HG2 H 1.09 0.01 1 688 . 115 GLY H H 9.06 0.01 1 689 . 115 GLY HA2 H 3.93 0.01 2 690 . 115 GLY HA3 H 3.77 0.01 2 691 . 116 GLY H H 8.46 0.01 1 692 . 116 GLY HA2 H 4.13 0.01 2 693 . 116 GLY HA3 H 3.61 0.01 2 694 . 117 VAL H H 8.10 0.01 1 695 . 117 VAL HA H 4.31 0.01 1 696 . 117 VAL HB H 2.29 0.01 1 697 . 117 VAL HG1 H 1.01 0.01 2 698 . 117 VAL HG2 H 0.98 0.01 2 699 . 118 SER H H 8.76 0.01 1 700 . 118 SER HA H 5.70 0.01 1 701 . 118 SER HB2 H 3.62 0.01 2 702 . 118 SER HB3 H 3.54 0.01 2 703 . 119 TYR H H 9.11 0.01 1 704 . 119 TYR HA H 5.19 0.01 1 705 . 119 TYR HB2 H 2.55 0.01 2 706 . 119 TYR HB3 H 1.59 0.01 2 707 . 119 TYR HD1 H 6.79 0.01 1 708 . 119 TYR HD2 H 6.79 0.01 1 709 . 119 TYR HE1 H 6.79 0.01 1 710 . 119 TYR HE2 H 6.79 0.01 1 711 . 120 GLU H H 8.04 0.01 1 712 . 120 GLU HA H 5.11 0.01 1 713 . 120 GLU HB2 H 1.86 0.01 2 714 . 120 GLU HB3 H 1.84 0.01 2 715 . 120 GLU HG2 H 2.01 0.01 1 716 . 120 GLU HG3 H 2.01 0.01 1 717 . 121 ARG H H 9.09 0.01 1 718 . 121 ARG HA H 5.05 0.01 1 719 . 121 ARG HB2 H 1.82 0.01 1 720 . 121 ARG HB3 H 1.82 0.01 1 721 . 121 ARG HG2 H 1.57 0.01 1 722 . 121 ARG HG3 H 1.57 0.01 1 723 . 121 ARG HD2 H 3.10 0.01 1 724 . 121 ARG HD3 H 3.10 0.01 1 725 . 121 ARG HE H 7.29 0.01 1 726 . 122 VAL H H 8.87 0.01 1 727 . 122 VAL HA H 5.01 0.01 1 728 . 122 VAL HB H 2.18 0.01 1 729 . 122 VAL HG1 H 0.93 0.01 1 730 . 122 VAL HG2 H 0.93 0.01 1 731 . 123 SER H H 9.70 0.01 1 732 . 123 SER HA H 5.39 0.01 1 733 . 123 SER HB2 H 3.82 0.01 2 734 . 123 SER HB3 H 3.74 0.01 2 735 . 123 SER HG H 7.44 0.01 1 736 . 124 LYS H H 8.75 0.01 1 737 . 124 LYS HA H 4.64 0.01 1 738 . 124 LYS HB2 H 2.04 0.01 2 739 . 124 LYS HB3 H 1.98 0.01 2 740 . 124 LYS HG2 H 1.37 0.01 1 741 . 124 LYS HG3 H 1.37 0.01 1 742 . 124 LYS HD2 H 1.78 0.01 2 743 . 124 LYS HD3 H 1.65 0.01 2 744 . 124 LYS HE2 H 3.04 0.01 2 745 . 124 LYS HE3 H 2.98 0.01 2 746 . 125 LYS H H 9.06 0.01 1 747 . 125 LYS HA H 4.30 0.01 1 748 . 125 LYS HB2 H 1.91 0.01 1 749 . 125 LYS HB3 H 1.91 0.01 1 750 . 125 LYS HG2 H 1.20 0.01 2 751 . 125 LYS HG3 H 0.98 0.01 2 752 . 125 LYS HD2 H 1.71 0.01 1 753 . 125 LYS HD3 H 1.71 0.01 1 754 . 125 LYS HE2 H 3.01 0.01 2 755 . 125 LYS HE3 H 2.96 0.01 2 756 . 126 LEU H H 9.17 0.01 1 757 . 126 LEU HA H 4.37 0.01 1 758 . 126 LEU HB2 H 1.39 0.01 2 759 . 126 LEU HB3 H 1.37 0.01 2 760 . 126 LEU HG H 1.58 0.01 1 761 . 126 LEU HD1 H 0.86 0.01 1 762 . 126 LEU HD2 H 0.86 0.01 1 763 . 127 ALA H H 7.86 0.01 1 764 . 127 ALA HA H 4.07 0.01 1 765 . 127 ALA HB H 1.30 0.01 1 stop_ save_