data_16502 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Backbone and side chain 1H chemical shift assignments for acidic fibrobast growth factor bound to 1,3,6-naphthalenetrisulfonate ; _BMRB_accession_number 16502 _BMRB_flat_file_name bmr16502.str _Entry_type original _Submission_date 2009-09-18 _Accession_date 2009-09-18 _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 Lozano Rosa M. . 2 Jimenez 'M. Angeles' L. . 3 Santoro Jorge . . 4 Rico Manuel . . 5 Gimenez-Gallego Guillermo . . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 668 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2009-10-20 original BMRB . stop_ loop_ _Related_BMRB_accession_number _Relationship 16493 'Entry containing chemical shifts for aFGF in its complex with MIHS' 16494 'Entry containing chemical shifts for free aFGF' stop_ _Original_release_date 2009-09-18 save_ ############################# # Citation for this entry # ############################# save_entry_citation_1 _Saveframe_category entry_citation _Citation_full . _Citation_title ; Solution structure of acidic fibroblast growth factor bound to 1,3, 6-naphthalenetrisulfonate: a minimal model for the anti-tumoral action of suramins and suradistas. ; _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 9719643 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Pineda-Lucena Antonio . . 2 Jimenez 'M. Angeles' . . 3 Nieto Jose L. . 4 Santoro Jorge . . 5 Rico Manuel . . 6 Gimenez-Gallego Guillermo . . stop_ _Journal_abbreviation 'J. Mol. Biol.' _Journal_volume 281 _Journal_issue . _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 899 _Page_last 915 _Year 1998 _Details . loop_ _Keyword 'acidic fibroblast growth factor' 'angiogenesis inhibitors' naphthalenetrisulfonate suradista suramin stop_ save_ ####################################### # Cited references within the entry # ####################################### save_entry_citacion_2 _Saveframe_category citation _Citation_full . _Citation_title ; 1H-NMR assignment and solution structure of human acidic fibroblast growth factor activated by inositol hexasulfate ; _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 7521397 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Pineda-Lucena Antonio . . 2 Jimenez 'M. Angeles' . . 3 Nieto Jose L. . 4 Santoro Jorge . . 5 Rico Manuel . . 6 Gimenez-Gallego Guillermo . . stop_ _Journal_abbreviation 'J. Mol. Biol.' _Journal_name_full . _Journal_volume 242 _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 81 _Page_last 98 _Year 1994 _Details . loop_ _Keyword 'acidic fibroblast growth factor' heparin stop_ save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name aFGF-NTS _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label 'acidic fibroblast growth factor' $aFGF 1,3,6-naphthalenetrisulfonate $NTS stop_ _System_molecular_weight 15000 _System_physical_state native _System_oligomer_state ? _System_paramagnetic no _System_thiol_state . loop_ _Biological_function 'Growth factor' stop_ _Database_query_date . _Details 'acidic fibroblast growth factor bound to NTS' save_ ######################## # Monomeric polymers # ######################## save_aFGF _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common aFGF _Molecular_mass . _Mol_thiol_state 'all free' loop_ _Biological_function 'Growth Factor' stop_ _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 132 _Mol_residue_sequence ; KKPKLLYCSNGGHFLRILPD GTVDGTRDRSDQHIQLQLSA ESVGEVYIKSTETGQYLAMD TDGLLYGSQTPNEECLFLER LEENHYNTYISKKHAEKNWF VGLKKNGSCKRGPRTHYGQK AILFLPLPVSSD ; loop_ _Residue_seq_code _Residue_label 1 LYS 2 LYS 3 PRO 4 LYS 5 LEU 6 LEU 7 TYR 8 CYS 9 SER 10 ASN 11 GLY 12 GLY 13 HIS 14 PHE 15 LEU 16 ARG 17 ILE 18 LEU 19 PRO 20 ASP 21 GLY 22 THR 23 VAL 24 ASP 25 GLY 26 THR 27 ARG 28 ASP 29 ARG 30 SER 31 ASP 32 GLN 33 HIS 34 ILE 35 GLN 36 LEU 37 GLN 38 LEU 39 SER 40 ALA 41 GLU 42 SER 43 VAL 44 GLY 45 GLU 46 VAL 47 TYR 48 ILE 49 LYS 50 SER 51 THR 52 GLU 53 THR 54 GLY 55 GLN 56 TYR 57 LEU 58 ALA 59 MET 60 ASP 61 THR 62 ASP 63 GLY 64 LEU 65 LEU 66 TYR 67 GLY 68 SER 69 GLN 70 THR 71 PRO 72 ASN 73 GLU 74 GLU 75 CYS 76 LEU 77 PHE 78 LEU 79 GLU 80 ARG 81 LEU 82 GLU 83 GLU 84 ASN 85 HIS 86 TYR 87 ASN 88 THR 89 TYR 90 ILE 91 SER 92 LYS 93 LYS 94 HIS 95 ALA 96 GLU 97 LYS 98 ASN 99 TRP 100 PHE 101 VAL 102 GLY 103 LEU 104 LYS 105 LYS 106 ASN 107 GLY 108 SER 109 CYS 110 LYS 111 ARG 112 GLY 113 PRO 114 ARG 115 THR 116 HIS 117 TYR 118 GLY 119 GLN 120 LYS 121 ALA 122 ILE 123 LEU 124 PHE 125 LEU 126 PRO 127 LEU 128 PRO 129 VAL 130 SER 131 SER 132 ASP stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date . save_ ############# # Ligands # ############# save_NTS _Saveframe_category ligand _Mol_type non-polymer _Name_common "NTS (NAPHTHALENE TRISULFONATE)" _BMRB_code . _PDB_code NTS _Molecular_mass 365.336 _Mol_charge -3 _Mol_paramagnetic . _Mol_aromatic yes _Details ; Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Fri Nov 4 12:50:32 2011 ; loop_ _Atom_name _PDB_atom_name _Atom_type _Atom_chirality _Atom_charge _Atom_oxidation_number _Atom_unpaired_electrons 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 . ? C9 C9 C . 0 . ? C10 C10 C . 0 . ? O11 O11 O . 0 . ? O12 O12 O . 0 . ? O13 O13 O . -1 . ? O31 O31 O . 0 . ? O32 O32 O . 0 . ? O33 O33 O . -1 . ? O61 O61 O . 0 . ? O62 O62 O . 0 . ? O63 O63 O . -1 . ? S1 S1 S . 0 . ? S3 S3 S . 0 . ? S6 S6 S . 0 . ? H2 H2 H . 0 . ? H4 H4 H . 0 . ? H5 H5 H . 0 . ? H7 H7 H . 0 . ? H8 H8 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 C2 ? ? SING C1 C9 ? ? SING C1 S1 ? ? SING C2 C3 ? ? SING C2 H2 ? ? DOUB C3 C4 ? ? SING C3 S3 ? ? SING C4 C10 ? ? SING C4 H4 ? ? DOUB C5 C6 ? ? SING C5 C10 ? ? SING C5 H5 ? ? SING C6 C7 ? ? SING C6 S6 ? ? DOUB C7 C8 ? ? SING C7 H7 ? ? SING C8 C9 ? ? SING C8 H8 ? ? DOUB C9 C10 ? ? DOUB O11 S1 ? ? DOUB O12 S1 ? ? SING O13 S1 ? ? DOUB O31 S3 ? ? DOUB O32 S3 ? ? SING O33 S3 ? ? DOUB O61 S6 ? ? DOUB O62 S6 ? ? SING O63 S6 ? ? 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 $aFGF 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 $aFGF 'recombinant technology' . Escherichia coli . pMG47 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 $aFGF . mM 1 2 'natural abundance' 'sodium phosphate' 10 mM . . 'natural abundance' TSP . mM 0.1 0.2 'natural abundance' beta-mercaptoethanol 1 mM . . 'natural abundance' 'sodium chloride' 150 mM . . 'natural abundance' NTS 2 mM . . 'natural abundance' H2O 90 % . . 'natural abundance' D2O 10 % . . 'natural abundance' stop_ save_ save_sample_2 _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Concentration_min_value _Concentration_max_value _Isotopic_labeling $aFGF . mM 1 2 'natural abundance' 'sodium phosphate' 10 mM . . 'natural abundance' TSP . mM 0.1 0.2 'natural abundance' beta-mercaptoethanol 1 mM . . 'natural abundance' 'sodium chloride' 150 mM . . 'natural abundance' NTS 2 mM . . 'natural abundance' D2O 100 % . . 'natural abundance' stop_ save_ ############################ # Computer software used # ############################ save_UXNMR _Saveframe_category software _Name UXNMR _Version . loop_ _Vendor _Address _Electronic_address 'Bruker Biospin' . . stop_ loop_ _Task processing stop_ _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model AMX _Field_strength 600 _Details . save_ ############################# # NMR applied experiments # ############################# save_2D_1H-1H_COSY_1 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-1H COSY' _Sample_label $sample_1 save_ save_2D_1H-1H_TOCSY_2 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-1H TOCSY' _Sample_label $sample_1 save_ save_2D_1H-1H_NOESY_3 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-1H NOESY' _Sample_label $sample_1 save_ save_2D_1H-1H_COSY_4 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-1H COSY' _Sample_label $sample_2 save_ save_2D_1H-1H_TOCSY_5 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-1H TOCSY' _Sample_label $sample_2 save_ save_2D_1H-1H_NOESY_6 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-1H NOESY' _Sample_label $sample_2 save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Saveframe_category sample_conditions _Details . loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units 'ionic strength' 10 . mM pH 6 . pH pressure 1.0 . 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 H 1 'methyl protons' ppm 0.00 internal direct . . . 1.000000000 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-1H COSY' '2D 1H-1H TOCSY' '2D 1H-1H NOESY' stop_ loop_ _Sample_label $sample_1 $sample_2 stop_ _Sample_conditions_label $sample_conditions_1 _Chem_shift_reference_set_label $chemical_shift_reference_1 _Mol_system_component_name 'acidic fibroblast growth factor' _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 24 2 LYS HA H 4.65 0.01 1 2 24 2 LYS HB2 H 1.83 0.01 2 3 24 2 LYS HB3 H 1.83 0.01 2 4 25 3 PRO HA H 4.29 0.01 1 5 25 3 PRO HD3 H 3.64 0.01 2 6 26 4 LYS H H 9.38 0.01 1 7 26 4 LYS HA H 5.00 0.01 1 8 26 4 LYS HB2 H 1.80 0.01 2 9 26 4 LYS HB3 H 1.51 0.01 2 10 26 4 LYS HD2 H 1.80 0.01 2 11 26 4 LYS HD3 H 1.80 0.01 2 12 26 4 LYS HE2 H 3.20 0.01 2 13 26 4 LYS HE3 H 3.20 0.01 2 14 27 5 LEU H H 9.07 0.01 1 15 27 5 LEU HA H 4.92 0.01 1 16 27 5 LEU HB2 H 1.80 0.01 2 17 27 5 LEU HD1 H 0.59 0.01 2 18 27 5 LEU HD2 H 0.49 0.01 2 19 27 5 LEU HG H 1.50 0.01 1 20 28 6 LEU H H 10.39 0.01 1 21 28 6 LEU HA H 4.99 0.01 1 22 28 6 LEU HB2 H 1.60 0.01 2 23 28 6 LEU HB3 H 1.34 0.01 2 24 28 6 LEU HD1 H 0.67 0.01 2 25 28 6 LEU HD2 H 0.39 0.01 2 26 28 6 LEU HG H 1.45 0.01 1 27 29 7 TYR H H 8.63 0.01 1 28 29 7 TYR HA H 4.58 0.01 1 29 29 7 TYR HB2 H 3.40 0.01 2 30 29 7 TYR HB3 H 2.92 0.01 2 31 29 7 TYR HD1 H 6.43 0.01 3 32 29 7 TYR HD2 H 6.43 0.01 3 33 29 7 TYR HE1 H 6.49 0.01 3 34 29 7 TYR HE2 H 6.49 0.01 3 35 30 8 CYS H H 9.33 0.01 1 36 30 8 CYS HA H 4.14 0.01 1 37 30 8 CYS HB2 H 2.57 0.01 2 38 30 8 CYS HB3 H 2.57 0.01 2 39 31 9 SER H H 8.28 0.01 1 40 31 9 SER HA H 3.92 0.01 1 41 32 10 ASN H H 7.54 0.01 1 42 32 10 ASN HA H 4.36 0.01 1 43 32 10 ASN HB2 H 3.08 0.01 2 44 32 10 ASN HB3 H 2.91 0.01 2 45 33 11 GLY H H 8.47 0.01 1 46 34 12 GLY H H 7.19 0.01 1 47 34 12 GLY HA2 H 3.53 0.01 2 48 34 12 GLY HA3 H 3.13 0.01 2 49 35 13 HIS H H 6.31 0.01 1 50 35 13 HIS HA H 4.02 0.01 1 51 35 13 HIS HB2 H 2.61 0.01 2 52 35 13 HIS HB3 H 2.44 0.01 2 53 35 13 HIS HD1 H 6.46 0.01 1 54 35 13 HIS HE2 H 7.67 0.01 1 55 36 14 PHE H H 9.36 0.01 1 56 36 14 PHE HA H 5.41 0.01 1 57 36 14 PHE HB2 H 3.53 0.01 2 58 36 14 PHE HB3 H 2.91 0.01 2 59 36 14 PHE HD1 H 7.27 0.01 3 60 36 14 PHE HD2 H 7.27 0.01 3 61 36 14 PHE HE1 H 7.17 0.01 3 62 36 14 PHE HE2 H 7.17 0.01 3 63 37 15 LEU H H 8.55 0.01 1 64 37 15 LEU HA H 4.32 0.01 1 65 37 15 LEU HB2 H 1.88 0.01 2 66 37 15 LEU HB3 H 1.33 0.01 2 67 37 15 LEU HD1 H 0.67 0.01 2 68 37 15 LEU HD2 H 0.43 0.01 2 69 37 15 LEU HG H 1.47 0.01 1 70 38 16 ARG H H 9.46 0.01 1 71 38 16 ARG HA H 4.68 0.01 1 72 38 16 ARG HB2 H 2.58 0.01 2 73 38 16 ARG HB3 H 2.58 0.01 2 74 38 16 ARG HD2 H 3.36 0.01 2 75 38 16 ARG HD3 H 2.75 0.01 2 76 38 16 ARG HE H 9.78 0.01 1 77 38 16 ARG HG2 H 1.35 0.01 2 78 38 16 ARG HG3 H 1.24 0.01 2 79 39 17 ILE H H 7.09 0.01 1 80 39 17 ILE HA H 4.56 0.01 1 81 39 17 ILE HB H 1.66 0.01 1 82 39 17 ILE HG2 H 0.60 0.01 1 83 40 18 LEU H H 9.03 0.01 1 84 40 18 LEU HA H 4.16 0.01 1 85 40 18 LEU HB2 H 2.02 0.01 2 86 40 18 LEU HB3 H 1.36 0.01 2 87 40 18 LEU HD1 H 0.87 0.01 2 88 40 18 LEU HD2 H 0.62 0.01 2 89 41 19 PRO HA H 4.27 0.01 1 90 41 19 PRO HD2 H 3.48 0.01 2 91 41 19 PRO HD3 H 2.44 0.01 2 92 42 20 ASP H H 7.51 0.01 1 93 42 20 ASP HA H 4.51 0.01 1 94 42 20 ASP HB2 H 3.08 0.01 2 95 42 20 ASP HB3 H 2.59 0.01 2 96 43 21 GLY H H 8.51 0.01 1 97 44 22 THR H H 8.00 0.01 1 98 44 22 THR HA H 4.46 0.01 1 99 44 22 THR HB H 4.19 0.01 1 100 44 22 THR HG2 H 1.16 0.01 1 101 45 23 VAL H H 7.92 0.01 1 102 45 23 VAL HA H 5.08 0.01 1 103 45 23 VAL HB H 1.59 0.01 1 104 45 23 VAL HG1 H 0.87 0.01 2 105 45 23 VAL HG2 H 0.76 0.01 2 106 46 24 ASP H H 9.04 0.01 1 107 46 24 ASP HA H 4.30 0.01 1 108 46 24 ASP HB2 H 3.00 0.01 2 109 46 24 ASP HB3 H 2.71 0.01 2 110 47 25 GLY H H 8.01 0.01 1 111 47 25 GLY HA2 H 5.50 0.01 2 112 47 25 GLY HA3 H 3.00 0.01 2 113 48 26 THR H H 8.63 0.01 1 114 48 26 THR HA H 5.17 0.01 1 115 48 26 THR HB H 3.98 0.01 1 116 48 26 THR HG2 H 1.35 0.01 1 117 49 27 ARG H H 9.04 0.01 1 118 49 27 ARG HA H 4.69 0.01 1 119 49 27 ARG HB2 H 2.20 0.01 2 120 49 27 ARG HB3 H 1.74 0.01 2 121 50 28 ASP H H 8.44 0.01 1 122 50 28 ASP HA H 4.62 0.01 1 123 50 28 ASP HB2 H 3.21 0.01 2 124 50 28 ASP HB3 H 2.65 0.01 2 125 51 29 ARG H H 8.42 0.01 1 126 51 29 ARG HA H 3.58 0.01 1 127 51 29 ARG HB2 H 1.77 0.01 2 128 51 29 ARG HB3 H 1.72 0.01 2 129 51 29 ARG HD2 H 3.10 0.01 2 130 51 29 ARG HD3 H 3.10 0.01 2 131 51 29 ARG HE H 7.07 0.01 1 132 52 30 SER H H 8.51 0.01 1 133 52 30 SER HA H 4.38 0.01 1 134 52 30 SER HB2 H 4.01 0.01 2 135 52 30 SER HB3 H 3.84 0.01 2 136 53 31 ASP H H 7.20 0.01 1 137 53 31 ASP HA H 4.26 0.01 1 138 53 31 ASP HB2 H 2.78 0.01 2 139 53 31 ASP HB3 H 2.68 0.01 2 140 54 32 GLN H H 8.97 0.01 1 141 54 32 GLN HA H 4.00 0.01 1 142 54 32 GLN HB2 H 1.75 0.01 2 143 54 32 GLN HB3 H 1.50 0.01 2 144 54 32 GLN HE21 H 7.42 0.01 2 145 54 32 GLN HE22 H 6.77 0.01 2 146 54 32 GLN HG2 H 2.06 0.01 2 147 54 32 GLN HG3 H 2.06 0.01 2 148 55 33 HIS H H 9.77 0.01 1 149 55 33 HIS HB2 H 3.85 0.01 2 150 55 33 HIS HB3 H 2.98 0.01 2 151 55 33 HIS HD1 H 7.12 0.01 1 152 55 33 HIS HE2 H 8.22 0.01 1 153 56 34 ILE H H 6.80 0.01 1 154 56 34 ILE HA H 5.15 0.01 1 155 56 34 ILE HB H 2.41 0.01 1 156 56 34 ILE HD1 H 0.57 0.01 1 157 56 34 ILE HG12 H 1.64 0.01 2 158 56 34 ILE HG2 H 0.81 0.01 1 159 57 35 GLN H H 7.17 0.01 1 160 57 35 GLN HA H 4.23 0.01 1 161 58 36 LEU H H 9.25 0.01 1 162 58 36 LEU HA H 5.33 0.01 1 163 58 36 LEU HB2 H 1.59 0.01 2 164 58 36 LEU HB3 H 1.04 0.01 2 165 58 36 LEU HD1 H 0.72 0.01 2 166 58 36 LEU HD2 H 0.58 0.01 2 167 58 36 LEU HG H 1.94 0.01 1 168 59 37 GLN H H 9.59 0.01 1 169 59 37 GLN HA H 4.65 0.01 1 170 59 37 GLN HB2 H 1.89 0.01 2 171 59 37 GLN HB3 H 1.74 0.01 2 172 59 37 GLN HE21 H 7.45 0.01 2 173 59 37 GLN HE22 H 6.81 0.01 2 174 59 37 GLN HG2 H 2.15 0.01 2 175 59 37 GLN HG3 H 2.15 0.01 2 176 60 38 LEU H H 8.74 0.01 1 177 60 38 LEU HA H 5.45 0.01 1 178 60 38 LEU HB2 H 1.65 0.01 2 179 60 38 LEU HB3 H 1.59 0.01 2 180 60 38 LEU HD1 H 0.87 0.01 2 181 60 38 LEU HD2 H 0.80 0.01 2 182 60 38 LEU HG H 1.65 0.01 1 183 61 39 SER H H 8.87 0.01 1 184 61 39 SER HA H 4.80 0.01 1 185 61 39 SER HB2 H 3.94 0.01 2 186 61 39 SER HB3 H 3.86 0.01 2 187 62 40 ALA H H 8.67 0.01 1 188 62 40 ALA HA H 5.09 0.01 1 189 62 40 ALA HB H 1.44 0.01 1 190 63 41 GLU H H 8.58 0.01 1 191 63 41 GLU HA H 4.45 0.01 1 192 63 41 GLU HB2 H 2.04 0.01 2 193 63 41 GLU HB3 H 1.80 0.01 2 194 63 41 GLU HG2 H 2.23 0.01 2 195 63 41 GLU HG3 H 2.05 0.01 2 196 64 42 SER H H 8.14 0.01 1 197 64 42 SER HA H 4.52 0.01 1 198 64 42 SER HB2 H 3.81 0.01 2 199 64 42 SER HB3 H 3.70 0.01 2 200 65 43 VAL H H 8.20 0.01 1 201 65 43 VAL HA H 3.84 0.01 1 202 65 43 VAL HB H 2.03 0.01 1 203 65 43 VAL HG1 H 1.08 0.01 2 204 65 43 VAL HG2 H 0.97 0.01 2 205 66 44 GLY H H 8.89 0.01 1 206 66 44 GLY HA2 H 4.30 0.01 2 207 66 44 GLY HA3 H 3.97 0.01 2 208 67 45 GLU H H 8.12 0.01 1 209 67 45 GLU HA H 5.44 0.01 1 210 67 45 GLU HB2 H 1.88 0.01 2 211 67 45 GLU HB3 H 1.82 0.01 2 212 67 45 GLU HG2 H 2.09 0.01 2 213 67 45 GLU HG3 H 2.01 0.01 2 214 68 46 VAL H H 9.66 0.01 1 215 68 46 VAL HA H 5.48 0.01 1 216 68 46 VAL HB H 2.26 0.01 1 217 68 46 VAL HG1 H 0.98 0.01 2 218 68 46 VAL HG2 H 0.91 0.01 2 219 69 47 TYR H H 8.51 0.01 1 220 69 47 TYR HA H 5.31 0.01 1 221 69 47 TYR HB2 H 3.26 0.01 2 222 69 47 TYR HB3 H 3.02 0.01 2 223 69 47 TYR HD1 H 7.20 0.01 3 224 69 47 TYR HD2 H 7.20 0.01 3 225 69 47 TYR HE1 H 6.58 0.01 3 226 69 47 TYR HE2 H 6.58 0.01 3 227 70 48 ILE H H 10.65 0.01 1 228 70 48 ILE HA H 4.40 0.01 1 229 70 48 ILE HB H 1.62 0.01 1 230 70 48 ILE HD1 H -0.20 0.01 1 231 70 48 ILE HG12 H 1.39 0.01 2 232 70 48 ILE HG13 H 0.54 0.01 2 233 70 48 ILE HG2 H 0.49 0.01 1 234 71 49 LYS H H 8.65 0.01 1 235 71 49 LYS HA H 4.99 0.01 1 236 71 49 LYS HB2 H 1.29 0.01 2 237 71 49 LYS HB3 H 1.10 0.01 2 238 71 49 LYS HD2 H 1.19 0.01 2 239 71 49 LYS HD3 H 1.19 0.01 2 240 71 49 LYS HE2 H 2.62 0.01 2 241 71 49 LYS HE3 H 2.50 0.01 2 242 71 49 LYS HG2 H 0.64 0.01 2 243 71 49 LYS HG3 H 0.30 0.01 2 244 72 50 SER H H 9.03 0.01 1 245 72 50 SER HA H 4.67 0.01 1 246 72 50 SER HB2 H 3.88 0.01 2 247 72 50 SER HB3 H 3.11 0.01 2 248 73 51 THR H H 8.52 0.01 1 249 73 51 THR HA H 3.99 0.01 1 250 73 51 THR HB H 4.17 0.01 1 251 73 51 THR HG2 H 1.16 0.01 1 252 74 52 GLU H H 8.47 0.01 1 253 74 52 GLU HA H 4.33 0.01 1 254 74 52 GLU HB2 H 1.85 0.01 2 255 74 52 GLU HB3 H 1.85 0.01 2 256 75 53 THR H H 7.83 0.01 1 257 75 53 THR HA H 4.69 0.01 1 258 75 53 THR HB H 4.53 0.01 1 259 75 53 THR HG2 H 1.28 0.01 1 260 76 54 GLY H H 7.74 0.01 1 261 76 54 GLY HA2 H 4.14 0.01 2 262 76 54 GLY HA3 H 3.59 0.01 2 263 77 55 GLN H H 7.29 0.01 1 264 77 55 GLN HA H 4.30 0.01 1 265 78 56 TYR H H 9.39 0.01 1 266 78 56 TYR HA H 4.80 0.01 1 267 78 56 TYR HB3 H 2.83 0.01 2 268 78 56 TYR HD1 H 7.10 0.01 3 269 78 56 TYR HD2 H 7.10 0.01 3 270 78 56 TYR HE1 H 6.50 0.01 3 271 78 56 TYR HE2 H 6.50 0.01 3 272 79 57 LEU H H 9.24 0.01 1 273 79 57 LEU HA H 4.12 0.01 1 274 79 57 LEU HB2 H 1.97 0.01 2 275 79 57 LEU HB3 H 1.06 0.01 2 276 79 57 LEU HD1 H 0.90 0.01 2 277 79 57 LEU HD2 H 0.19 0.01 2 278 79 57 LEU HG H 1.64 0.01 1 279 80 58 ALA H H 8.77 0.01 1 280 80 58 ALA HA H 5.12 0.01 1 281 80 58 ALA HB H 0.60 0.01 1 282 81 59 MET H H 7.62 0.01 1 283 81 59 MET HA H 5.51 0.01 1 284 81 59 MET HB2 H 2.33 0.01 2 285 81 59 MET HB3 H 2.33 0.01 2 286 81 59 MET HG3 H 2.20 0.01 2 287 82 60 ASP H H 9.25 0.01 1 288 82 60 ASP HA H 5.04 0.01 1 289 82 60 ASP HB2 H 3.57 0.01 2 290 82 60 ASP HB3 H 2.86 0.01 2 291 83 61 THR H H 8.06 0.01 1 292 83 61 THR HA H 4.15 0.01 1 293 83 61 THR HB H 4.52 0.01 1 294 83 61 THR HG2 H 1.46 0.01 1 295 84 62 ASP H H 8.48 0.01 1 296 84 62 ASP HA H 4.96 0.01 1 297 84 62 ASP HB2 H 2.74 0.01 2 298 84 62 ASP HB3 H 2.74 0.01 2 299 85 63 GLY H H 8.37 0.01 1 300 85 63 GLY HA2 H 3.62 0.01 2 301 85 63 GLY HA3 H 3.34 0.01 2 302 86 64 LEU H H 8.74 0.01 1 303 86 64 LEU HA H 4.51 0.01 1 304 86 64 LEU HB2 H 2.10 0.01 2 305 86 64 LEU HB3 H 1.47 0.01 2 306 86 64 LEU HD1 H 1.00 0.01 2 307 86 64 LEU HD2 H 0.92 0.01 2 308 86 64 LEU HG H 1.67 0.01 1 309 87 65 LEU H H 7.55 0.01 1 310 87 65 LEU HA H 5.71 0.01 1 311 87 65 LEU HB2 H 1.95 0.01 2 312 87 65 LEU HB3 H 1.49 0.01 2 313 87 65 LEU HD1 H 1.11 0.01 2 314 87 65 LEU HD2 H 1.03 0.01 2 315 87 65 LEU HG H 2.22 0.01 1 316 88 66 TYR H H 9.36 0.01 1 317 88 66 TYR HA H 5.01 0.01 1 318 88 66 TYR HB2 H 3.12 0.01 2 319 88 66 TYR HB3 H 3.07 0.01 2 320 88 66 TYR HD1 H 7.14 0.01 3 321 88 66 TYR HD2 H 7.14 0.01 3 322 88 66 TYR HE1 H 6.57 0.01 3 323 88 66 TYR HE2 H 6.57 0.01 3 324 89 67 GLY H H 8.45 0.01 1 325 89 67 GLY HA2 H 4.68 0.01 2 326 90 68 SER H H 9.71 0.01 1 327 90 68 SER HA H 4.97 0.01 1 328 90 68 SER HB2 H 3.89 0.01 2 329 90 68 SER HB3 H 3.54 0.01 2 330 91 69 GLN H H 9.44 0.01 1 331 91 69 GLN HA H 4.27 0.01 1 332 91 69 GLN HB2 H 2.32 0.01 2 333 91 69 GLN HB3 H 2.20 0.01 2 334 91 69 GLN HE21 H 7.61 0.01 2 335 91 69 GLN HE22 H 6.98 0.01 2 336 91 69 GLN HG2 H 2.64 0.01 2 337 91 69 GLN HG3 H 2.54 0.01 2 338 92 70 THR H H 7.64 0.01 1 339 92 70 THR HA H 4.86 0.01 1 340 92 70 THR HB H 4.11 0.01 1 341 92 70 THR HG2 H 1.20 0.01 1 342 93 71 PRO HA H 4.14 0.01 1 343 93 71 PRO HB2 H 0.32 0.01 2 344 93 71 PRO HB3 H 1.84 0.01 2 345 93 71 PRO HD2 H 3.65 0.01 2 346 93 71 PRO HD3 H 3.44 0.01 2 347 93 71 PRO HG3 H 1.46 0.01 2 348 94 72 ASN H H 7.44 0.01 1 349 94 72 ASN HB2 H 3.20 0.01 2 350 94 72 ASN HB3 H 2.99 0.01 2 351 95 73 GLU H H 9.03 0.01 1 352 95 73 GLU HA H 4.15 0.01 1 353 95 73 GLU HB2 H 2.25 0.01 2 354 95 73 GLU HB3 H 2.12 0.01 2 355 95 73 GLU HG2 H 2.37 0.01 2 356 95 73 GLU HG3 H 2.37 0.01 2 357 96 74 GLU H H 8.70 0.01 1 358 96 74 GLU HA H 4.19 0.01 1 359 96 74 GLU HB2 H 2.52 0.01 2 360 96 74 GLU HB3 H 2.47 0.01 2 361 96 74 GLU HG2 H 2.62 0.01 2 362 96 74 GLU HG3 H 2.29 0.01 2 363 97 75 CYS H H 7.83 0.01 1 364 97 75 CYS HA H 5.43 0.01 1 365 97 75 CYS HB2 H 3.68 0.01 2 366 97 75 CYS HB3 H 3.30 0.01 2 367 98 76 LEU H H 6.35 0.01 1 368 98 76 LEU HA H 4.56 0.01 1 369 98 76 LEU HB2 H 1.43 0.01 2 370 98 76 LEU HB3 H 1.16 0.01 2 371 98 76 LEU HD1 H 0.63 0.01 2 372 98 76 LEU HD2 H 0.39 0.01 2 373 98 76 LEU HG H 1.27 0.01 1 374 99 77 PHE H H 9.14 0.01 1 375 99 77 PHE HA H 5.15 0.01 1 376 99 77 PHE HB2 H 2.92 0.01 2 377 99 77 PHE HB3 H 2.79 0.01 2 378 99 77 PHE HD1 H 7.05 0.01 3 379 99 77 PHE HD2 H 7.05 0.01 3 380 99 77 PHE HE1 H 7.16 0.01 3 381 99 77 PHE HE2 H 7.16 0.01 3 382 99 77 PHE HZ H 6.79 0.01 1 383 100 78 LEU H H 10.07 0.01 1 384 100 78 LEU HA H 5.18 0.01 1 385 100 78 LEU HB2 H 1.87 0.01 2 386 100 78 LEU HB3 H 1.87 0.01 2 387 100 78 LEU HD1 H 0.86 0.01 2 388 100 78 LEU HD2 H 0.86 0.01 2 389 100 78 LEU HG H 1.49 0.01 1 390 101 79 GLU H H 8.29 0.01 1 391 101 79 GLU HA H 4.78 0.01 1 392 101 79 GLU HB2 H 2.02 0.01 2 393 101 79 GLU HB3 H 1.78 0.01 2 394 101 79 GLU HG2 H 1.86 0.01 2 395 101 79 GLU HG3 H 1.86 0.01 2 396 102 80 ARG H H 8.95 0.01 1 397 102 80 ARG HA H 4.71 0.01 1 398 102 80 ARG HD2 H 3.22 0.01 2 399 102 80 ARG HD3 H 3.22 0.01 2 400 102 80 ARG HG2 H 1.55 0.01 2 401 102 80 ARG HG3 H 1.46 0.01 2 402 103 81 LEU H H 8.48 0.01 1 403 103 81 LEU HB3 H 1.53 0.01 2 404 103 81 LEU HD1 H 0.87 0.01 2 405 103 81 LEU HD2 H 0.87 0.01 2 406 103 81 LEU HG H 1.73 0.01 1 407 104 82 GLU H H 9.17 0.01 1 408 104 82 GLU HB2 H 2.28 0.01 2 409 104 82 GLU HB3 H 2.03 0.01 2 410 104 82 GLU HG2 H 2.37 0.01 2 411 104 82 GLU HG3 H 2.37 0.01 2 412 105 83 GLU H H 8.87 0.01 1 413 105 83 GLU HA H 4.11 0.01 1 414 105 83 GLU HB2 H 2.12 0.01 2 415 105 83 GLU HB3 H 2.07 0.01 2 416 106 84 ASN H H 7.69 0.01 1 417 106 84 ASN HA H 4.33 0.01 1 418 106 84 ASN HB2 H 3.08 0.01 2 419 106 84 ASN HB3 H 3.00 0.01 2 420 107 85 HIS H H 8.20 0.01 1 421 107 85 HIS HA H 4.23 0.01 1 422 107 85 HIS HB2 H 3.46 0.01 2 423 107 85 HIS HB3 H 3.28 0.01 2 424 107 85 HIS HD2 H 7.05 0.01 1 425 108 86 TYR H H 7.66 0.01 1 426 108 86 TYR HA H 4.83 0.01 1 427 108 86 TYR HB2 H 2.96 0.01 2 428 108 86 TYR HB3 H 2.96 0.01 2 429 108 86 TYR HD1 H 7.07 0.01 3 430 108 86 TYR HD2 H 7.07 0.01 3 431 108 86 TYR HE1 H 6.84 0.01 3 432 108 86 TYR HE2 H 6.84 0.01 3 433 109 87 ASN H H 9.95 0.01 1 434 109 87 ASN HA H 5.85 0.01 1 435 109 87 ASN HB2 H 2.66 0.01 2 436 109 87 ASN HB3 H 2.45 0.01 2 437 110 88 THR H H 8.52 0.01 1 438 110 88 THR HA H 5.11 0.01 1 439 110 88 THR HB H 4.59 0.01 1 440 110 88 THR HG2 H 1.31 0.01 1 441 111 89 TYR H H 10.38 0.01 1 442 111 89 TYR HA H 5.44 0.01 1 443 111 89 TYR HB2 H 2.49 0.01 2 444 111 89 TYR HB3 H 2.49 0.01 2 445 111 89 TYR HD1 H 6.66 0.01 3 446 111 89 TYR HD2 H 6.66 0.01 3 447 111 89 TYR HE1 H 6.52 0.01 3 448 111 89 TYR HE2 H 6.52 0.01 3 449 112 90 ILE H H 8.84 0.01 1 450 112 90 ILE HA H 4.62 0.01 1 451 112 90 ILE HB H 1.50 0.01 1 452 112 90 ILE HD1 H 0.56 0.01 1 453 112 90 ILE HG12 H 1.32 0.01 2 454 112 90 ILE HG13 H 0.03 0.01 2 455 112 90 ILE HG2 H 0.66 0.01 1 456 113 91 SER H H 8.34 0.01 1 457 113 91 SER HB2 H 4.00 0.01 2 458 114 92 LYS H H 8.10 0.01 1 459 114 92 LYS HA H 3.77 0.01 1 460 114 92 LYS HB2 H 1.75 0.01 2 461 114 92 LYS HB3 H 1.75 0.01 2 462 114 92 LYS HE2 H 2.84 0.01 2 463 114 92 LYS HE3 H 2.84 0.01 2 464 114 92 LYS HG2 H 1.21 0.01 2 465 114 92 LYS HG3 H 1.21 0.01 2 466 115 93 LYS H H 8.75 0.01 1 467 115 93 LYS HA H 3.82 0.01 1 468 115 93 LYS HB2 H 1.32 0.01 2 469 115 93 LYS HD2 H 1.60 0.01 2 470 115 93 LYS HD3 H 1.41 0.01 2 471 115 93 LYS HE2 H 2.91 0.01 2 472 115 93 LYS HE3 H 2.84 0.01 2 473 115 93 LYS HG2 H 0.95 0.01 2 474 115 93 LYS HG3 H 0.55 0.01 2 475 116 94 HIS H H 7.40 0.01 1 476 116 94 HIS HA H 4.57 0.01 1 477 116 94 HIS HD2 H 7.89 0.01 1 478 116 94 HIS HE1 H 7.04 0.01 1 479 117 95 ALA H H 7.22 0.01 1 480 117 95 ALA HA H 3.80 0.01 1 481 117 95 ALA HB H 1.44 0.01 1 482 118 96 GLU H H 8.94 0.01 1 483 118 96 GLU HA H 4.05 0.01 1 484 118 96 GLU HB2 H 1.96 0.01 2 485 118 96 GLU HB3 H 1.96 0.01 2 486 118 96 GLU HG2 H 2.29 0.01 2 487 118 96 GLU HG3 H 2.16 0.01 2 488 119 97 LYS H H 7.31 0.01 1 489 119 97 LYS HA H 4.21 0.01 1 490 119 97 LYS HB2 H 1.14 0.01 2 491 119 97 LYS HD2 H 1.35 0.01 2 492 119 97 LYS HD3 H 1.35 0.01 2 493 119 97 LYS HE2 H 2.55 0.01 2 494 119 97 LYS HG2 H 0.95 0.01 2 495 119 97 LYS HG3 H 0.95 0.01 2 496 120 98 ASN H H 7.95 0.01 1 497 120 98 ASN HA H 3.76 0.01 1 498 120 98 ASN HB2 H 2.99 0.01 2 499 120 98 ASN HB3 H 2.85 0.01 2 500 120 98 ASN HD21 H 7.43 0.01 2 501 120 98 ASN HD22 H 6.73 0.01 2 502 121 99 TRP H H 6.43 0.01 1 503 121 99 TRP HA H 4.85 0.01 1 504 121 99 TRP HB2 H 3.14 0.01 2 505 121 99 TRP HB3 H 2.91 0.01 2 506 121 99 TRP HD1 H 6.84 0.01 1 507 121 99 TRP HE1 H 10.39 0.01 1 508 121 99 TRP HE3 H 7.35 0.01 1 509 121 99 TRP HH2 H 7.08 0.01 1 510 121 99 TRP HZ2 H 7.40 0.01 1 511 121 99 TRP HZ3 H 6.21 0.01 1 512 122 100 PHE H H 8.16 0.01 1 513 122 100 PHE HA H 5.37 0.01 1 514 122 100 PHE HB2 H 3.44 0.01 2 515 122 100 PHE HB3 H 2.71 0.01 2 516 122 100 PHE HD1 H 7.48 0.01 3 517 122 100 PHE HD2 H 7.48 0.01 3 518 122 100 PHE HE1 H 7.24 0.01 3 519 122 100 PHE HE2 H 7.24 0.01 3 520 122 100 PHE HZ H 6.96 0.01 1 521 123 101 VAL H H 8.60 0.01 1 522 123 101 VAL HA H 3.93 0.01 1 523 123 101 VAL HB H 2.05 0.01 1 524 123 101 VAL HG1 H 0.53 0.01 2 525 123 101 VAL HG2 H 0.50 0.01 2 526 124 102 GLY H H 9.11 0.01 1 527 124 102 GLY HA2 H 5.29 0.01 2 528 124 102 GLY HA3 H 3.21 0.01 2 529 125 103 LEU H H 8.24 0.01 1 530 125 103 LEU HA H 5.01 0.01 1 531 125 103 LEU HB2 H 2.23 0.01 2 532 125 103 LEU HD1 H 0.64 0.01 2 533 125 103 LEU HG H 1.61 0.01 1 534 126 104 LYS H H 9.02 0.01 1 535 126 104 LYS HA H 4.33 0.01 1 536 126 104 LYS HB2 H 1.67 0.01 2 537 126 104 LYS HB3 H 1.67 0.01 2 538 127 105 LYS H H 8.02 0.01 1 539 127 105 LYS HA H 3.50 0.01 1 540 127 105 LYS HB2 H 1.31 0.01 2 541 127 105 LYS HD2 H 1.75 0.01 2 542 127 105 LYS HE2 H 3.04 0.01 2 543 127 105 LYS HE3 H 3.04 0.01 2 544 127 105 LYS HG2 H 1.53 0.01 2 545 127 105 LYS HG3 H 0.94 0.01 2 546 127 105 LYS HZ H 6.42 0.01 1 547 128 106 ASN H H 7.55 0.01 1 548 128 106 ASN HA H 4.67 0.01 1 549 128 106 ASN HB3 H 2.87 0.01 2 550 128 106 ASN HD21 H 7.58 0.01 2 551 128 106 ASN HD22 H 6.88 0.01 2 552 129 107 GLY H H 7.72 0.01 1 553 129 107 GLY HA2 H 3.34 0.01 2 554 129 107 GLY HA3 H 2.09 0.01 2 555 130 108 SER H H 7.43 0.01 1 556 130 108 SER HB2 H 3.93 0.01 2 557 130 108 SER HB3 H 3.93 0.01 2 558 131 109 CYS H H 9.20 0.01 1 559 131 109 CYS HA H 4.42 0.01 1 560 131 109 CYS HB2 H 3.13 0.01 2 561 132 110 LYS H H 8.24 0.01 1 562 133 111 ARG H H 8.66 0.01 1 563 133 111 ARG HA H 4.26 0.01 1 564 134 112 GLY H H 9.48 0.01 1 565 134 112 GLY HA2 H 3.87 0.01 2 566 134 112 GLY HA3 H 3.18 0.01 2 567 135 113 PRO HA H 4.32 0.01 1 568 136 114 ARG H H 8.13 0.01 1 569 136 114 ARG HA H 4.50 0.01 1 570 136 114 ARG HB2 H 2.14 0.01 2 571 137 115 THR H H 7.82 0.01 1 572 137 115 THR HA H 5.14 0.01 1 573 137 115 THR HB H 4.11 0.01 1 574 137 115 THR HG1 H 6.29 0.01 1 575 137 115 THR HG2 H 1.15 0.01 1 576 138 116 HIS H H 7.12 0.01 1 577 138 116 HIS HB2 H 3.32 0.01 2 578 138 116 HIS HB3 H 3.23 0.01 2 579 138 116 HIS HD2 H 7.32 0.01 1 580 138 116 HIS HE1 H 8.53 0.01 1 581 139 117 TYR H H 9.08 0.01 1 582 139 117 TYR HA H 3.90 0.01 1 583 139 117 TYR HB2 H 3.09 0.01 2 584 139 117 TYR HB3 H 2.91 0.01 2 585 139 117 TYR HD1 H 7.10 0.01 3 586 139 117 TYR HD2 H 7.10 0.01 3 587 139 117 TYR HE1 H 6.91 0.01 3 588 139 117 TYR HE2 H 6.91 0.01 3 589 140 118 GLY H H 8.06 0.01 1 590 140 118 GLY HA2 H 4.34 0.01 2 591 140 118 GLY HA3 H 3.29 0.01 2 592 141 119 GLN H H 7.10 0.01 1 593 141 119 GLN HA H 4.22 0.01 1 594 142 120 LYS H H 8.35 0.01 1 595 142 120 LYS HA H 3.81 0.01 1 596 142 120 LYS HB2 H 1.53 0.01 2 597 142 120 LYS HD2 H 1.54 0.01 2 598 142 120 LYS HD3 H 1.54 0.01 2 599 142 120 LYS HE2 H 2.91 0.01 2 600 142 120 LYS HE3 H 2.91 0.01 2 601 142 120 LYS HG2 H 1.29 0.01 2 602 142 120 LYS HG3 H 1.29 0.01 2 603 143 121 ALA H H 7.74 0.01 1 604 143 121 ALA HA H 3.95 0.01 1 605 143 121 ALA HB H 1.28 0.01 1 606 144 122 ILE H H 5.98 0.01 1 607 144 122 ILE HA H 5.21 0.01 1 608 144 122 ILE HB H 2.17 0.01 1 609 144 122 ILE HG12 H 1.12 0.01 2 610 144 122 ILE HG13 H 0.86 0.01 2 611 144 122 ILE HG2 H 0.65 0.01 1 612 145 123 LEU H H 6.87 0.01 1 613 145 123 LEU HA H 4.62 0.01 1 614 145 123 LEU HB2 H 1.54 0.01 2 615 145 123 LEU HB3 H 1.54 0.01 2 616 145 123 LEU HD2 H 0.44 0.01 2 617 146 124 PHE H H 9.36 0.01 1 618 146 124 PHE HA H 5.63 0.01 1 619 146 124 PHE HB2 H 3.15 0.01 2 620 146 124 PHE HB3 H 2.79 0.01 2 621 146 124 PHE HD1 H 7.20 0.01 3 622 146 124 PHE HD2 H 7.20 0.01 3 623 146 124 PHE HE1 H 7.32 0.01 3 624 146 124 PHE HE2 H 7.32 0.01 3 625 146 124 PHE HZ H 6.90 0.01 1 626 147 125 LEU H H 10.05 0.01 1 627 147 125 LEU HA H 5.23 0.01 1 628 147 125 LEU HB2 H 1.93 0.01 2 629 147 125 LEU HB3 H 1.37 0.01 2 630 147 125 LEU HD1 H 0.75 0.01 2 631 147 125 LEU HD2 H 0.72 0.01 2 632 147 125 LEU HG H 1.49 0.01 1 633 148 126 PRO HA H 5.59 0.01 1 634 148 126 PRO HB2 H 2.04 0.01 2 635 148 126 PRO HB3 H 2.04 0.01 2 636 148 126 PRO HD2 H 4.22 0.01 2 637 148 126 PRO HD3 H 3.93 0.01 2 638 148 126 PRO HG2 H 2.36 0.01 2 639 148 126 PRO HG3 H 2.36 0.01 2 640 149 127 LEU H H 9.75 0.01 1 641 149 127 LEU HA H 5.03 0.01 1 642 149 127 LEU HB2 H 1.70 0.01 2 643 149 127 LEU HB3 H 1.70 0.01 2 644 149 127 LEU HD1 H 0.90 0.01 2 645 149 127 LEU HD2 H 0.90 0.01 2 646 149 127 LEU HG H 1.82 0.01 1 647 150 128 PRO HA H 4.71 0.01 1 648 150 128 PRO HB2 H 2.33 0.01 2 649 150 128 PRO HB3 H 1.96 0.01 2 650 150 128 PRO HD2 H 3.83 0.01 2 651 150 128 PRO HD3 H 3.65 0.01 2 652 150 128 PRO HG2 H 2.02 0.01 2 653 150 128 PRO HG3 H 2.02 0.01 2 654 151 129 VAL H H 8.13 0.01 1 655 151 129 VAL HA H 3.76 0.01 1 656 151 129 VAL HB H 1.98 0.01 1 657 151 129 VAL HG1 H 0.85 0.01 2 658 151 129 VAL HG2 H 0.83 0.01 2 659 152 130 SER H H 7.97 0.01 1 660 152 130 SER HA H 4.54 0.01 1 661 153 131 SER H H 8.50 0.01 1 662 153 131 SER HA H 4.47 0.01 1 663 153 131 SER HB2 H 3.85 0.01 2 664 153 131 SER HB3 H 3.85 0.01 2 665 154 132 ASP H H 8.04 0.01 1 666 154 132 ASP HA H 4.34 0.01 1 667 154 132 ASP HB2 H 2.70 0.01 2 668 154 132 ASP HB3 H 2.54 0.01 2 stop_ save_