data_7149 save_study_list _Study_list.Sf_category study_list _Study_list.Sf_framecode study_list _Study_list.Entry_ID 7149 _Study_list.ID 1 loop_ _Study.ID _Study.Name _Study.Type _Study.Details _Study.Entry_ID _Study.Study_list_ID . 'RBP unfolded in 8M urea at pH 2 and 20C' 'denatured state of RBP' ; Investigation of human serum retinol-binding protein unfolded in 8M urea at pH 2 and 20C. This is part of a detailed study of the unfolding in urea of the RBP molten globule at pH 2. ; 7149 1 stop_ loop_ _Study_keyword.Study_ID _Study_keyword.Keyword _Study_keyword.Entry_ID _Study_keyword.Study_list_ID . 'RBP in 8M urea' 7149 1 stop_ save_ ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 7149 _Entry.Title ; Characterization of the Molten Globule of Human Serum Retinol-Binding Protein using NMR Spectroscopy ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2006-06-06 _Entry.Accession_date 2006-06-06 _Entry.Last_release_date 2006-10-30 _Entry.Original_release_date 2006-10-30 _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version . _Entry.Experimental_method NMR _Entry.Experimental_method_subtype . _Entry.Details ; The entry contains the chemical shifts of backbone 15N and 1HN of RBP assigned in 8M urea at pH 2 and 20C. These assignments were obtained as part of the study of the unfolding of the pH 2 molten globule with urea. ; _Entry.BMRB_internal_directory_name . loop_ _Entry_author.Ordinal _Entry_author.Given_name _Entry_author.Family_name _Entry_author.First_initial _Entry_author.Middle_initials _Entry_author.Family_title _Entry_author.Entry_ID 1 Lesley Greene . H. . 7149 2 Ramani Wijesinha-Bettoni . . . 7149 3 Christina Redfield . . . 7149 stop_ loop_ _Entry_src.ID _Entry_src.Project_name _Entry_src.Organization_full_name _Entry_src.Organization_initials _Entry_src.Entry_ID . . 'University of Oxford' . 7149 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 7149 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '15N chemical shifts' 174 7149 '1H chemical shifts' 174 7149 stop_ loop_ _Release.Release_number _Release.Format_type _Release.Format_version _Release.Date _Release.Submission_date _Release.Type _Release.Author _Release.Detail _Release.Entry_ID 1 . . 2006-10-30 2006-06-06 original author . 7149 stop_ save_ ############### # Citations # ############### save_1 _Citation.Sf_category citations _Citation.Sf_framecode 1 _Citation.Entry_ID 7149 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 16878982 _Citation.Full_citation . _Citation.Title 'Characterization of the molten globule of human serum retinol-binding protein using NMR spectroscopy' _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev Biochemistry _Citation.Journal_name_full . _Citation.Journal_volume 45 _Citation.Journal_issue 31 _Citation.Journal_ASTM . _Citation.Journal_ISSN . _Citation.Journal_CSD . _Citation.Book_title . _Citation.Book_chapter_title . _Citation.Book_volume . _Citation.Book_series . _Citation.Book_publisher . _Citation.Book_publisher_city . _Citation.Book_ISBN . _Citation.Conference_title . _Citation.Conference_site . _Citation.Conference_state_province . _Citation.Conference_country . _Citation.Conference_start_date . _Citation.Conference_end_date . _Citation.Conference_abstract_number . _Citation.Thesis_institution . _Citation.Thesis_institution_city . _Citation.Thesis_institution_country . _Citation.WWW_URL . _Citation.Page_first 9475 _Citation.Page_last 9484 _Citation.Year 2006 _Citation.Details . loop_ _Citation_author.Ordinal _Citation_author.Given_name _Citation_author.Family_name _Citation_author.First_initial _Citation_author.Middle_initials _Citation_author.Family_title _Citation_author.Entry_ID _Citation_author.Citation_ID 1 Lesley Greene . H. . 7149 1 2 Ramani Wijesinha-Bettoni . . . 7149 1 3 Christina Redfield . . . 7149 1 stop_ loop_ _Citation_keyword.Keyword _Citation_keyword.Entry_ID _Citation_keyword.Citation_ID 'molten globule' 7149 1 'retinol-binding protein' 7149 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 7149 _Assembly.ID 1 _Assembly.Name RBP _Assembly.BMRB_code . _Assembly.Number_of_components 1 _Assembly.Organic_ligands 0 _Assembly.Metal_ions 0 _Assembly.Non_standard_bonds . _Assembly.Ambiguous_conformational_states no _Assembly.Ambiguous_chem_comp_sites no _Assembly.Molecules_in_chemical_exchange no _Assembly.Paramagnetic no _Assembly.Thiol_state 'all disulfide bound' _Assembly.Molecular_mass 21000 _Assembly.Enzyme_commission_number . _Assembly.Details 'recombinant human serum retinol-binding protein' _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Assembly_type.Type _Assembly_type.Entry_ID _Assembly_type.Assembly_ID protein 7149 1 stop_ loop_ _Entity_assembly.ID _Entity_assembly.Entity_assembly_name _Entity_assembly.Entity_ID _Entity_assembly.Entity_label _Entity_assembly.Asym_ID _Entity_assembly.PDB_chain_ID _Entity_assembly.Experimental_data_reported _Entity_assembly.Physical_state _Entity_assembly.Conformational_isomer _Entity_assembly.Chemical_exchange_state _Entity_assembly.Magnetic_equivalence_group_code _Entity_assembly.Role _Entity_assembly.Details _Entity_assembly.Entry_ID _Entity_assembly.Assembly_ID 1 RBP 1 $RBP . . yes unfolded no no 1 'protein monomer' 'monomeric RBP unfolded in 8M urea at pH 2 and 20C' 7149 1 stop_ loop_ _Bond.ID _Bond.Type _Bond.Value_order _Bond.Assembly_atom_ID_1 _Bond.Entity_assembly_ID_1 _Bond.Entity_assembly_name_1 _Bond.Entity_ID_1 _Bond.Comp_ID_1 _Bond.Comp_index_ID_1 _Bond.Seq_ID_1 _Bond.Atom_ID_1 _Bond.Assembly_atom_ID_2 _Bond.Entity_assembly_ID_2 _Bond.Entity_assembly_name_2 _Bond.Entity_ID_2 _Bond.Comp_ID_2 _Bond.Comp_index_ID_2 _Bond.Seq_ID_2 _Bond.Atom_ID_2 _Bond.Auth_entity_assembly_ID_1 _Bond.Auth_entity_assembly_name_1 _Bond.Auth_seq_ID_1 _Bond.Auth_comp_ID_1 _Bond.Auth_atom_ID_1 _Bond.Auth_entity_assembly_ID_2 _Bond.Auth_entity_assembly_name_2 _Bond.Auth_seq_ID_2 _Bond.Auth_comp_ID_2 _Bond.Auth_atom_ID_2 _Bond.Entry_ID _Bond.Assembly_ID 1 disulfide single . 1 . 1 CYS 4 4 SG . 1 . 1 CYS 160 160 SG . . . . . . . . . . 7149 1 2 disulfide single . 1 . 1 CYS 70 70 SG . 1 . 1 CYS 174 174 SG . . . . . . . . . . 7149 1 3 disulfide single . 1 . 1 CYS 120 120 SG . 1 . 1 CYS 129 129 SG . . . . . . . . . . 7149 1 stop_ loop_ _Assembly_bio_function.Biological_function _Assembly_bio_function.Entry_ID _Assembly_bio_function.Assembly_ID 'carrier of retinol' 7149 1 stop_ loop_ _Assembly_keyword.Keyword _Assembly_keyword.Entry_ID _Assembly_keyword.Assembly_ID 'monomeric RBP' 7149 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_RBP _Entity.Sf_category entity _Entity.Sf_framecode RBP _Entity.Entry_ID 7149 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name 'human serum retinol-binding protein' _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID . _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; ERDCRVSSFRVKENFDKARF SGTWYAMAKKDPEGLFLQDN IVAEFSVDETGQMSATAKGR VRLLNNWDVCADMVGTFTDT EDPAKFKMKYWGVASFLQKG NDDHWIVDTDYDTYAVQYSC RLLNLDGTCADSYSFVFSRD PNGLPPEAQKIVRQRQEELC LARQYRLIVHNGYCDGRSER NL ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states no _Entity.Ambiguous_chem_comp_sites no _Entity.Nstd_monomer no _Entity.Nstd_chirality no _Entity.Nstd_linkage no _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 182 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'all disulfide bound' _Entity.Src_method . _Entity.Parent_entity_ID 1 _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight . _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date 2015-01-28 loop_ _Entity_db_link.Ordinal _Entity_db_link.Author_supplied _Entity_db_link.Database_code _Entity_db_link.Accession_code _Entity_db_link.Entry_mol_code _Entity_db_link.Entry_mol_name _Entity_db_link.Entry_experimental_method _Entity_db_link.Entry_structure_resolution _Entity_db_link.Entry_relation_type _Entity_db_link.Entry_details _Entity_db_link.Chimera_segment_ID _Entity_db_link.Seq_query_to_submitted_percent _Entity_db_link.Seq_subject_length _Entity_db_link.Seq_identity _Entity_db_link.Seq_positive _Entity_db_link.Seq_homology_expectation_val _Entity_db_link.Seq_align_begin _Entity_db_link.Seq_align_end _Entity_db_link.Seq_difference_details _Entity_db_link.Seq_alignment_details _Entity_db_link.Entry_ID _Entity_db_link.Entity_ID 1 no PDB 1BRP . "Crystal Structure Of The Trigonal Form Of Human Plasma Retinol-Binding Protein At 2.5 Angstroms Resolution" . . . . . 100.00 182 100.00 100.00 6.06e-133 . . . . 7149 1 2 no PDB 1BRQ . "Crystal Structure Of The Trigonal Form Of Human Plasma Retinol-Binding Protein At 2.5 Angstroms Resolution" . . . . . 100.00 182 100.00 100.00 6.06e-133 . . . . 7149 1 3 no PDB 1JYD . "Crystal Structure Of Recombinant Human Serum Retinol-Binding Protein At 1.7 A Resolution" . . . . . 100.00 183 100.00 100.00 5.05e-133 . . . . 7149 1 4 no PDB 1JYJ . "Crystal Structure Of A Double Variant (W67lW91H) OF RECOMBINANT HUMAN Serum Retinol-Binding Protein At 2.0 A Resolution" . . . . . 100.00 183 98.90 98.90 1.70e-130 . . . . 7149 1 5 no PDB 1QAB . "The Structure Of Human Retinol Binding Protein With Its Carrier Protein Transthyretin Reveals Interaction With The Carboxy Term" . . . . . 98.35 180 98.32 98.32 3.54e-128 . . . . 7149 1 6 no PDB 1RBP . "Crystallographic Refinement Of Human Serum Retinol Binding Protein At 2 Angstroms Resolution" . . . . . 100.00 182 100.00 100.00 6.06e-133 . . . . 7149 1 7 no PDB 2WQ9 . "Crystal Structure Of Rbp4 Bound To Oleic Acid" . . . . . 95.60 174 100.00 100.00 8.16e-127 . . . . 7149 1 8 no PDB 2WQA . "Complex Of Ttr And Rbp4 And Oleic Acid" . . . . . 96.70 177 100.00 100.00 2.30e-128 . . . . 7149 1 9 no PDB 2WR6 . "Structure Of The Complex Of Rbp4 With Linoleic Acid" . . . . . 95.60 175 100.00 100.00 7.33e-127 . . . . 7149 1 10 no PDB 3BSZ . "Crystal Structure Of The Transthyretin-retinol Binding Protein-fab Complex" . . . . . 96.70 176 100.00 100.00 2.22e-128 . . . . 7149 1 11 no PDB 3FMZ . "Crystal Structure Of Retinol-Binding Protein 4 (Rbp4) In Complex With Non-Retinoid Ligand" . . . . . 100.00 212 100.00 100.00 2.51e-133 . . . . 7149 1 12 no PDB 4O9S . "Crystal Structure Of Retinol-binding Protein 4 (rbp4)in Complex With A Non-retinoid Ligand" . . . . . 100.00 215 100.00 100.00 1.86e-133 . . . . 7149 1 13 no PDB 4PSQ . "Crystal Structure Of Retinol-binding Protein 4 (rbp4) In Complex With A Non-retinoid Ligand" . . . . . 100.00 212 100.00 100.00 2.51e-133 . . . . 7149 1 14 no DBJ BAD16621 . "retinol binding protein4 [Pan troglodytes]" . . . . . 100.00 201 100.00 100.00 7.06e-133 . . . . 7149 1 15 no DBJ BAI46108 . "retinol binding protein 4, plasma [synthetic construct]" . . . . . 100.00 201 100.00 100.00 7.06e-133 . . . . 7149 1 16 no EMBL CAA24959 . "unnamed protein product [Homo sapiens]" . . . . . 100.00 199 100.00 100.00 5.40e-133 . . . . 7149 1 17 no EMBL CAA26553 . "RBP [Homo sapiens]" . . . . . 54.95 116 100.00 100.00 7.06e-66 . . . . 7149 1 18 no GB AAF69622 . "PRO2222 [Homo sapiens]" . . . . . 85.71 157 100.00 100.00 2.14e-112 . . . . 7149 1 19 no GB AAH20633 . "Retinol binding protein 4, plasma [Homo sapiens]" . . . . . 100.00 201 100.00 100.00 7.96e-133 . . . . 7149 1 20 no GB ABC69164 . "retinol-binding protein [Sus scrofa]" . . . . . 54.95 118 98.00 98.00 2.34e-64 . . . . 7149 1 21 no GB ABM82307 . "retinol binding protein 4, plasma [synthetic construct]" . . . . . 100.00 201 100.00 100.00 7.96e-133 . . . . 7149 1 22 no GB ABM85484 . "retinol binding protein 4, plasma [synthetic construct]" . . . . . 100.00 201 100.00 100.00 7.96e-133 . . . . 7149 1 23 no PRF 1401251A . "retinol binding protein" . . . . . 100.00 182 100.00 100.00 6.06e-133 . . . . 7149 1 24 no REF NP_001038960 . "retinol-binding protein 4 precursor [Pan troglodytes]" . . . . . 100.00 201 100.00 100.00 7.06e-133 . . . . 7149 1 25 no REF NP_006735 . "retinol-binding protein 4 precursor [Homo sapiens]" . . . . . 100.00 201 100.00 100.00 7.06e-133 . . . . 7149 1 26 no REF XP_002821040 . "PREDICTED: retinol-binding protein 4 [Pongo abelii]" . . . . . 100.00 201 100.00 100.00 7.06e-133 . . . . 7149 1 27 no REF XP_003255281 . "PREDICTED: retinol-binding protein 4 [Nomascus leucogenys]" . . . . . 100.00 201 98.90 100.00 3.26e-132 . . . . 7149 1 28 no REF XP_003904062 . "PREDICTED: retinol-binding protein 4 [Papio anubis]" . . . . . 100.00 201 99.45 100.00 1.09e-132 . . . . 7149 1 29 no SP P02753 . "RecName: Full=Retinol-binding protein 4; AltName: Full=Plasma retinol-binding protein; Short=PRBP; Short=RBP; Contains: RecName" . . . . . 100.00 201 100.00 100.00 7.06e-133 . . . . 7149 1 30 no SP P61641 . "RecName: Full=Retinol-binding protein 4; AltName: Full=Plasma retinol-binding protein; Short=PRBP; Short=RBP; Flags: Precursor " . . . . . 100.00 201 100.00 100.00 7.06e-133 . . . . 7149 1 stop_ loop_ _Entity_biological_function.Biological_function _Entity_biological_function.Entry_ID _Entity_biological_function.Entity_ID 'carrier of RBP' 7149 1 stop_ loop_ _Entity_common_name.Name _Entity_common_name.Type _Entity_common_name.Entry_ID _Entity_common_name.Entity_ID RBP . 7149 1 stop_ loop_ _Entity_keyword.Keyword _Entity_keyword.Entry_ID _Entity_keyword.Entity_ID 'monomeric RBP' 7149 1 stop_ loop_ _Entity_comp_index.ID _Entity_comp_index.Auth_seq_ID _Entity_comp_index.Comp_ID _Entity_comp_index.Comp_label _Entity_comp_index.Entry_ID _Entity_comp_index.Entity_ID 1 1 GLU . 7149 1 2 2 ARG . 7149 1 3 3 ASP . 7149 1 4 4 CYS . 7149 1 5 5 ARG . 7149 1 6 6 VAL . 7149 1 7 7 SER . 7149 1 8 8 SER . 7149 1 9 9 PHE . 7149 1 10 10 ARG . 7149 1 11 11 VAL . 7149 1 12 12 LYS . 7149 1 13 13 GLU . 7149 1 14 14 ASN . 7149 1 15 15 PHE . 7149 1 16 16 ASP . 7149 1 17 17 LYS . 7149 1 18 18 ALA . 7149 1 19 19 ARG . 7149 1 20 20 PHE . 7149 1 21 21 SER . 7149 1 22 22 GLY . 7149 1 23 23 THR . 7149 1 24 24 TRP . 7149 1 25 25 TYR . 7149 1 26 26 ALA . 7149 1 27 27 MET . 7149 1 28 28 ALA . 7149 1 29 29 LYS . 7149 1 30 30 LYS . 7149 1 31 31 ASP . 7149 1 32 32 PRO . 7149 1 33 33 GLU . 7149 1 34 34 GLY . 7149 1 35 35 LEU . 7149 1 36 36 PHE . 7149 1 37 37 LEU . 7149 1 38 38 GLN . 7149 1 39 39 ASP . 7149 1 40 40 ASN . 7149 1 41 41 ILE . 7149 1 42 42 VAL . 7149 1 43 43 ALA . 7149 1 44 44 GLU . 7149 1 45 45 PHE . 7149 1 46 46 SER . 7149 1 47 47 VAL . 7149 1 48 48 ASP . 7149 1 49 49 GLU . 7149 1 50 50 THR . 7149 1 51 51 GLY . 7149 1 52 52 GLN . 7149 1 53 53 MET . 7149 1 54 54 SER . 7149 1 55 55 ALA . 7149 1 56 56 THR . 7149 1 57 57 ALA . 7149 1 58 58 LYS . 7149 1 59 59 GLY . 7149 1 60 60 ARG . 7149 1 61 61 VAL . 7149 1 62 62 ARG . 7149 1 63 63 LEU . 7149 1 64 64 LEU . 7149 1 65 65 ASN . 7149 1 66 66 ASN . 7149 1 67 67 TRP . 7149 1 68 68 ASP . 7149 1 69 69 VAL . 7149 1 70 70 CYS . 7149 1 71 71 ALA . 7149 1 72 72 ASP . 7149 1 73 73 MET . 7149 1 74 74 VAL . 7149 1 75 75 GLY . 7149 1 76 76 THR . 7149 1 77 77 PHE . 7149 1 78 78 THR . 7149 1 79 79 ASP . 7149 1 80 80 THR . 7149 1 81 81 GLU . 7149 1 82 82 ASP . 7149 1 83 83 PRO . 7149 1 84 84 ALA . 7149 1 85 85 LYS . 7149 1 86 86 PHE . 7149 1 87 87 LYS . 7149 1 88 88 MET . 7149 1 89 89 LYS . 7149 1 90 90 TYR . 7149 1 91 91 TRP . 7149 1 92 92 GLY . 7149 1 93 93 VAL . 7149 1 94 94 ALA . 7149 1 95 95 SER . 7149 1 96 96 PHE . 7149 1 97 97 LEU . 7149 1 98 98 GLN . 7149 1 99 99 LYS . 7149 1 100 100 GLY . 7149 1 101 101 ASN . 7149 1 102 102 ASP . 7149 1 103 103 ASP . 7149 1 104 104 HIS . 7149 1 105 105 TRP . 7149 1 106 106 ILE . 7149 1 107 107 VAL . 7149 1 108 108 ASP . 7149 1 109 109 THR . 7149 1 110 110 ASP . 7149 1 111 111 TYR . 7149 1 112 112 ASP . 7149 1 113 113 THR . 7149 1 114 114 TYR . 7149 1 115 115 ALA . 7149 1 116 116 VAL . 7149 1 117 117 GLN . 7149 1 118 118 TYR . 7149 1 119 119 SER . 7149 1 120 120 CYS . 7149 1 121 121 ARG . 7149 1 122 122 LEU . 7149 1 123 123 LEU . 7149 1 124 124 ASN . 7149 1 125 125 LEU . 7149 1 126 126 ASP . 7149 1 127 127 GLY . 7149 1 128 128 THR . 7149 1 129 129 CYS . 7149 1 130 130 ALA . 7149 1 131 131 ASP . 7149 1 132 132 SER . 7149 1 133 133 TYR . 7149 1 134 134 SER . 7149 1 135 135 PHE . 7149 1 136 136 VAL . 7149 1 137 137 PHE . 7149 1 138 138 SER . 7149 1 139 139 ARG . 7149 1 140 140 ASP . 7149 1 141 141 PRO . 7149 1 142 142 ASN . 7149 1 143 143 GLY . 7149 1 144 144 LEU . 7149 1 145 145 PRO . 7149 1 146 146 PRO . 7149 1 147 147 GLU . 7149 1 148 148 ALA . 7149 1 149 149 GLN . 7149 1 150 150 LYS . 7149 1 151 151 ILE . 7149 1 152 152 VAL . 7149 1 153 153 ARG . 7149 1 154 154 GLN . 7149 1 155 155 ARG . 7149 1 156 156 GLN . 7149 1 157 157 GLU . 7149 1 158 158 GLU . 7149 1 159 159 LEU . 7149 1 160 160 CYS . 7149 1 161 161 LEU . 7149 1 162 162 ALA . 7149 1 163 163 ARG . 7149 1 164 164 GLN . 7149 1 165 165 TYR . 7149 1 166 166 ARG . 7149 1 167 167 LEU . 7149 1 168 168 ILE . 7149 1 169 169 VAL . 7149 1 170 170 HIS . 7149 1 171 171 ASN . 7149 1 172 172 GLY . 7149 1 173 173 TYR . 7149 1 174 174 CYS . 7149 1 175 175 ASP . 7149 1 176 176 GLY . 7149 1 177 177 ARG . 7149 1 178 178 SER . 7149 1 179 179 GLU . 7149 1 180 180 ARG . 7149 1 181 181 ASN . 7149 1 182 182 LEU . 7149 1 stop_ loop_ _Entity_poly_seq.Hetero _Entity_poly_seq.Mon_ID _Entity_poly_seq.Num _Entity_poly_seq.Comp_index_ID _Entity_poly_seq.Entry_ID _Entity_poly_seq.Entity_ID . GLU 1 1 7149 1 . ARG 2 2 7149 1 . ASP 3 3 7149 1 . CYS 4 4 7149 1 . ARG 5 5 7149 1 . VAL 6 6 7149 1 . SER 7 7 7149 1 . SER 8 8 7149 1 . PHE 9 9 7149 1 . ARG 10 10 7149 1 . VAL 11 11 7149 1 . LYS 12 12 7149 1 . GLU 13 13 7149 1 . ASN 14 14 7149 1 . PHE 15 15 7149 1 . ASP 16 16 7149 1 . LYS 17 17 7149 1 . ALA 18 18 7149 1 . ARG 19 19 7149 1 . PHE 20 20 7149 1 . SER 21 21 7149 1 . GLY 22 22 7149 1 . THR 23 23 7149 1 . TRP 24 24 7149 1 . TYR 25 25 7149 1 . ALA 26 26 7149 1 . MET 27 27 7149 1 . ALA 28 28 7149 1 . LYS 29 29 7149 1 . LYS 30 30 7149 1 . ASP 31 31 7149 1 . PRO 32 32 7149 1 . GLU 33 33 7149 1 . GLY 34 34 7149 1 . LEU 35 35 7149 1 . PHE 36 36 7149 1 . LEU 37 37 7149 1 . GLN 38 38 7149 1 . ASP 39 39 7149 1 . ASN 40 40 7149 1 . ILE 41 41 7149 1 . VAL 42 42 7149 1 . ALA 43 43 7149 1 . GLU 44 44 7149 1 . PHE 45 45 7149 1 . SER 46 46 7149 1 . VAL 47 47 7149 1 . ASP 48 48 7149 1 . GLU 49 49 7149 1 . THR 50 50 7149 1 . GLY 51 51 7149 1 . GLN 52 52 7149 1 . MET 53 53 7149 1 . SER 54 54 7149 1 . ALA 55 55 7149 1 . THR 56 56 7149 1 . ALA 57 57 7149 1 . LYS 58 58 7149 1 . GLY 59 59 7149 1 . ARG 60 60 7149 1 . VAL 61 61 7149 1 . ARG 62 62 7149 1 . LEU 63 63 7149 1 . LEU 64 64 7149 1 . ASN 65 65 7149 1 . ASN 66 66 7149 1 . TRP 67 67 7149 1 . ASP 68 68 7149 1 . VAL 69 69 7149 1 . CYS 70 70 7149 1 . ALA 71 71 7149 1 . ASP 72 72 7149 1 . MET 73 73 7149 1 . VAL 74 74 7149 1 . GLY 75 75 7149 1 . THR 76 76 7149 1 . PHE 77 77 7149 1 . THR 78 78 7149 1 . ASP 79 79 7149 1 . THR 80 80 7149 1 . GLU 81 81 7149 1 . ASP 82 82 7149 1 . PRO 83 83 7149 1 . ALA 84 84 7149 1 . LYS 85 85 7149 1 . PHE 86 86 7149 1 . LYS 87 87 7149 1 . MET 88 88 7149 1 . LYS 89 89 7149 1 . TYR 90 90 7149 1 . TRP 91 91 7149 1 . GLY 92 92 7149 1 . VAL 93 93 7149 1 . ALA 94 94 7149 1 . SER 95 95 7149 1 . PHE 96 96 7149 1 . LEU 97 97 7149 1 . GLN 98 98 7149 1 . LYS 99 99 7149 1 . GLY 100 100 7149 1 . ASN 101 101 7149 1 . ASP 102 102 7149 1 . ASP 103 103 7149 1 . HIS 104 104 7149 1 . TRP 105 105 7149 1 . ILE 106 106 7149 1 . VAL 107 107 7149 1 . ASP 108 108 7149 1 . THR 109 109 7149 1 . ASP 110 110 7149 1 . TYR 111 111 7149 1 . ASP 112 112 7149 1 . THR 113 113 7149 1 . TYR 114 114 7149 1 . ALA 115 115 7149 1 . VAL 116 116 7149 1 . GLN 117 117 7149 1 . TYR 118 118 7149 1 . SER 119 119 7149 1 . CYS 120 120 7149 1 . ARG 121 121 7149 1 . LEU 122 122 7149 1 . LEU 123 123 7149 1 . ASN 124 124 7149 1 . LEU 125 125 7149 1 . ASP 126 126 7149 1 . GLY 127 127 7149 1 . THR 128 128 7149 1 . CYS 129 129 7149 1 . ALA 130 130 7149 1 . ASP 131 131 7149 1 . SER 132 132 7149 1 . TYR 133 133 7149 1 . SER 134 134 7149 1 . PHE 135 135 7149 1 . VAL 136 136 7149 1 . PHE 137 137 7149 1 . SER 138 138 7149 1 . ARG 139 139 7149 1 . ASP 140 140 7149 1 . PRO 141 141 7149 1 . ASN 142 142 7149 1 . GLY 143 143 7149 1 . LEU 144 144 7149 1 . PRO 145 145 7149 1 . PRO 146 146 7149 1 . GLU 147 147 7149 1 . ALA 148 148 7149 1 . GLN 149 149 7149 1 . LYS 150 150 7149 1 . ILE 151 151 7149 1 . VAL 152 152 7149 1 . ARG 153 153 7149 1 . GLN 154 154 7149 1 . ARG 155 155 7149 1 . GLN 156 156 7149 1 . GLU 157 157 7149 1 . GLU 158 158 7149 1 . LEU 159 159 7149 1 . CYS 160 160 7149 1 . LEU 161 161 7149 1 . ALA 162 162 7149 1 . ARG 163 163 7149 1 . GLN 164 164 7149 1 . TYR 165 165 7149 1 . ARG 166 166 7149 1 . LEU 167 167 7149 1 . ILE 168 168 7149 1 . VAL 169 169 7149 1 . HIS 170 170 7149 1 . ASN 171 171 7149 1 . GLY 172 172 7149 1 . TYR 173 173 7149 1 . CYS 174 174 7149 1 . ASP 175 175 7149 1 . GLY 176 176 7149 1 . ARG 177 177 7149 1 . SER 178 178 7149 1 . GLU 179 179 7149 1 . ARG 180 180 7149 1 . ASN 181 181 7149 1 . LEU 182 182 7149 1 stop_ save_ #################### # Natural source # #################### save_natural_source _Entity_natural_src_list.Sf_category natural_source _Entity_natural_src_list.Sf_framecode natural_source _Entity_natural_src_list.Entry_ID 7149 _Entity_natural_src_list.ID 1 loop_ _Entity_natural_src.ID _Entity_natural_src.Entity_ID _Entity_natural_src.Entity_label _Entity_natural_src.Entity_chimera_segment_ID _Entity_natural_src.NCBI_taxonomy_ID _Entity_natural_src.Type _Entity_natural_src.Common _Entity_natural_src.Organism_name_scientific _Entity_natural_src.Organism_name_common _Entity_natural_src.Organism_acronym _Entity_natural_src.ICTVdb_decimal_code _Entity_natural_src.Superkingdom _Entity_natural_src.Kingdom _Entity_natural_src.Genus _Entity_natural_src.Species _Entity_natural_src.Strain _Entity_natural_src.Variant _Entity_natural_src.Subvariant _Entity_natural_src.Organ _Entity_natural_src.Tissue _Entity_natural_src.Tissue_fraction _Entity_natural_src.Cell_line _Entity_natural_src.Cell_type _Entity_natural_src.ATCC_number _Entity_natural_src.Organelle _Entity_natural_src.Cellular_location _Entity_natural_src.Fragment _Entity_natural_src.Fraction _Entity_natural_src.Secretion _Entity_natural_src.Plasmid _Entity_natural_src.Plasmid_details _Entity_natural_src.Gene_mnemonic _Entity_natural_src.Dev_stage _Entity_natural_src.Details _Entity_natural_src.Citation_ID _Entity_natural_src.Citation_label _Entity_natural_src.Entry_ID _Entity_natural_src.Entity_natural_src_list_ID 1 1 $RBP . 9606 . no . Human . . Eukaryota Metazoa Homo sapiens . . . . . . . . . . . . . . . . . . . . . 7149 1 stop_ save_ ######################### # Experimental source # ######################### save_experimental_source _Entity_experimental_src_list.Sf_category experimental_source _Entity_experimental_src_list.Sf_framecode experimental_source _Entity_experimental_src_list.Entry_ID 7149 _Entity_experimental_src_list.ID 1 loop_ _Entity_experimental_src.ID _Entity_experimental_src.Entity_ID _Entity_experimental_src.Entity_label _Entity_experimental_src.Entity_chimera_segment_ID _Entity_experimental_src.Production_method _Entity_experimental_src.Host_org_scientific_name _Entity_experimental_src.Host_org_name_common _Entity_experimental_src.Host_org_details _Entity_experimental_src.Host_org_NCBI_taxonomy_ID _Entity_experimental_src.Host_org_genus _Entity_experimental_src.Host_org_species _Entity_experimental_src.Host_org_strain _Entity_experimental_src.Host_org_variant _Entity_experimental_src.Host_org_subvariant _Entity_experimental_src.Host_org_organ _Entity_experimental_src.Host_org_tissue _Entity_experimental_src.Host_org_tissue_fraction _Entity_experimental_src.Host_org_cell_line _Entity_experimental_src.Host_org_cell_type _Entity_experimental_src.Host_org_cellular_location _Entity_experimental_src.Host_org_organelle _Entity_experimental_src.Host_org_gene _Entity_experimental_src.Host_org_culture_collection _Entity_experimental_src.Host_org_ATCC_number _Entity_experimental_src.Vector_type _Entity_experimental_src.PDBview_host_org_vector_name _Entity_experimental_src.PDBview_plasmid_name _Entity_experimental_src.Vector_name _Entity_experimental_src.Vector_details _Entity_experimental_src.Vendor_name _Entity_experimental_src.Host_org_dev_stage _Entity_experimental_src.Details _Entity_experimental_src.Citation_ID _Entity_experimental_src.Citation_label _Entity_experimental_src.Entry_ID _Entity_experimental_src.Entity_experimental_src_list_ID 1 1 $RBP . 'recombinant technology' . E.coli BL21(DE3) . . . . . . . . . . . . . . . . . . . . . . . . . . 7149 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 7149 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details '0.16mM 15N,2H-labeled RBP in 5mM sodium phosphate and 8M urea at pH 2 and 20C' _Sample.Aggregate_sample_number 1 _Sample.Solvent_system . _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 'human serum retinol-binding protein' '[U-15N; U-2H]' . . 1 $RBP . protein 0.16 . . mM . . . . 7149 1 2 'sodium phosphate' . . . . . . . 5 . . mM . . . . 7149 1 3 urea . . . . . . . 8 . . M . . . . 7149 1 stop_ save_ ####################### # Sample conditions # ####################### save_conditions_1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode conditions_1 _Sample_condition_list.Entry_ID 7149 _Sample_condition_list.ID 1 _Sample_condition_list.Details '8M urea' loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID pH 2 0.05 pH 7149 1 temperature 293 2 K 7149 1 stop_ save_ ############################ # Computer software used # ############################ save_software_1 _Software.Sf_category software _Software.Sf_framecode software_1 _Software.Entry_ID 7149 _Software.ID 1 _Software.Name FELIX _Software.Version 2.3 _Software.Details 'used for processing of spectra' loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID Accelrys 'San Diego, CA' . 7149 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID processing 7149 1 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_750_MHz _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode 750_MHz _NMR_spectrometer.Entry_ID 7149 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details 'home-built 750MHz spectrometer equipped with a triple-axis gradient probe uses Omega software' _NMR_spectrometer.Manufacturer Home-built _NMR_spectrometer.Model . _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 750 save_ ############################# # NMR applied experiments # ############################# save_NMR_experiment_list _Experiment_list.Sf_category experiment_list _Experiment_list.Sf_framecode NMR_experiment_list _Experiment_list.Entry_ID 7149 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NMR_spec_expt_ID _Experiment.NMR_spec_expt_label _Experiment.MS_expt_ID _Experiment.MS_expt_label _Experiment.SAXS_expt_ID _Experiment.SAXS_expt_label _Experiment.FRET_expt_ID _Experiment.FRET_expt_label _Experiment.EMR_expt_ID _Experiment.EMR_expt_label _Experiment.Sample_ID _Experiment.Sample_label _Experiment.Sample_state _Experiment.Sample_volume _Experiment.Sample_volume_units _Experiment.Sample_condition_list_ID _Experiment.Sample_condition_list_label _Experiment.Sample_spinning_rate _Experiment.Sample_angle _Experiment.NMR_tube_type _Experiment.NMR_spectrometer_ID _Experiment.NMR_spectrometer_label _Experiment.NMR_spectrometer_probe_ID _Experiment.NMR_spectrometer_probe_label _Experiment.NMR_spectral_processing_ID _Experiment.NMR_spectral_processing_label _Experiment.Mass_spectrometer_ID _Experiment.Mass_spectrometer_label _Experiment.Xray_instrument_ID _Experiment.Xray_instrument_label _Experiment.Fluorescence_instrument_ID _Experiment.Fluorescence_instrument_label _Experiment.EMR_instrument_ID _Experiment.EMR_instrument_label _Experiment.Chromatographic_system_ID _Experiment.Chromatographic_system_label _Experiment.Chromatographic_column_ID _Experiment.Chromatographic_column_label _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 1H15N_HSQC no . . . . . . . . . . 1 $sample_1 . . . 1 $conditions_1 . . . 1 $750_MHz . . . . . . . . . . . . . . . . 7149 1 stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_referencing _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chemical_shift_referencing _Chem_shift_reference.Entry_ID 7149 _Chem_shift_reference.ID 1 _Chem_shift_reference.Details . loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Indirect_shift_ratio_cit_ID _Chem_shift_ref.Indirect_shift_ratio_cit_label _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Correction_val_cit_ID _Chem_shift_ref.Correction_val_cit_label _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID H 1 dioxane 'methylene protons' . . . . ppm 3.743 internal direct 1.0 . . . 1 $1 . . 1 $1 7149 1 N 15 DSS 'methyl protons' . . . . ppm 0.0 . indirect 0.101329118 . . . 1 $1 . . 1 $1 7149 1 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_chem_shift_list_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode chem_shift_list_1 _Assigned_chem_shift_list.Entry_ID 7149 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_referencing _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details '1HN and 15N backbone shifts are reported for RBP at pH 2 and 8M urea' _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 1 1H15N_HSQC 1 $sample_1 isotropic 7149 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 1 1 1 GLU H H 1 8.932 0.01 . 1 . . . . 1 GLU H . 7149 1 2 . 1 1 1 1 GLU N N 15 123.789 0.10 . 1 . . . . 1 GLU N . 7149 1 3 . 1 1 2 2 ARG H H 1 8.657 0.01 . 1 . . . . 2 ARG H . 7149 1 4 . 1 1 2 2 ARG N N 15 122.907 0.10 . 1 . . . . 2 ARG N . 7149 1 5 . 1 1 3 3 ASP H H 1 8.678 0.01 . 1 . . . . 3 ASP H . 7149 1 6 . 1 1 3 3 ASP N N 15 119.960 0.10 . 1 . . . . 3 ASP N . 7149 1 7 . 1 1 4 4 CYS H H 1 8.474 0.01 . 1 . . . . 4 CYS H . 7149 1 8 . 1 1 4 4 CYS N N 15 119.095 0.10 . 1 . . . . 4 CYS N . 7149 1 9 . 1 1 5 5 ARG H H 1 8.590 0.01 . 1 . . . . 5 ARG H . 7149 1 10 . 1 1 5 5 ARG N N 15 122.608 0.10 . 1 . . . . 5 ARG N . 7149 1 11 . 1 1 6 6 VAL H H 1 8.365 0.01 . 1 . . . . 6 VAL H . 7149 1 12 . 1 1 6 6 VAL N N 15 121.895 0.10 . 1 . . . . 6 VAL N . 7149 1 13 . 1 1 7 7 SER H H 1 8.501 0.01 . 1 . . . . 7 SER H . 7149 1 14 . 1 1 7 7 SER N N 15 119.410 0.10 . 1 . . . . 7 SER N . 7149 1 15 . 1 1 8 8 SER H H 1 8.403 0.01 . 1 . . . . 8 SER H . 7149 1 16 . 1 1 8 8 SER N N 15 117.887 0.10 . 1 . . . . 8 SER N . 7149 1 17 . 1 1 9 9 PHE H H 1 8.278 0.01 . 1 . . . . 9 PHE H . 7149 1 18 . 1 1 9 9 PHE N N 15 122.057 0.10 . 1 . . . . 9 PHE N . 7149 1 19 . 1 1 10 10 ARG H H 1 8.305 0.01 . 1 . . . . 10 ARG H . 7149 1 20 . 1 1 10 10 ARG N N 15 123.241 0.10 . 1 . . . . 10 ARG N . 7149 1 21 . 1 1 11 11 VAL H H 1 8.219 0.01 . 1 . . . . 11 VAL H . 7149 1 22 . 1 1 11 11 VAL N N 15 121.804 0.10 . 1 . . . . 11 VAL N . 7149 1 23 . 1 1 12 12 LYS H H 1 8.490 0.01 . 1 . . . . 12 LYS H . 7149 1 24 . 1 1 12 12 LYS N N 15 125.351 0.10 . 1 . . . . 12 LYS N . 7149 1 25 . 1 1 13 13 GLU H H 1 8.434 0.01 . 1 . . . . 13 GLU H . 7149 1 26 . 1 1 13 13 GLU N N 15 121.893 0.10 . 1 . . . . 13 GLU N . 7149 1 27 . 1 1 14 14 ASN H H 1 8.514 0.01 . 1 . . . . 14 ASN H . 7149 1 28 . 1 1 14 14 ASN N N 15 120.183 0.10 . 1 . . . . 14 ASN N . 7149 1 29 . 1 1 15 15 PHE H H 1 8.334 0.01 . 1 . . . . 15 PHE H . 7149 1 30 . 1 1 15 15 PHE N N 15 120.895 0.10 . 1 . . . . 15 PHE N . 7149 1 31 . 1 1 16 16 ASP H H 1 8.534 0.01 . 1 . . . . 16 ASP H . 7149 1 32 . 1 1 16 16 ASP N N 15 120.166 0.10 . 1 . . . . 16 ASP N . 7149 1 33 . 1 1 17 17 LYS H H 1 8.241 0.01 . 1 . . . . 17 LYS H . 7149 1 34 . 1 1 17 17 LYS N N 15 121.961 0.10 . 1 . . . . 17 LYS N . 7149 1 35 . 1 1 18 18 ALA H H 1 8.234 0.01 . 1 . . . . 18 ALA H . 7149 1 36 . 1 1 18 18 ALA N N 15 124.293 0.10 . 1 . . . . 18 ALA N . 7149 1 37 . 1 1 19 19 ARG H H 1 8.215 0.01 . 1 . . . . 19 ARG H . 7149 1 38 . 1 1 19 19 ARG N N 15 120.042 0.10 . 1 . . . . 19 ARG N . 7149 1 39 . 1 1 20 20 PHE H H 1 8.334 0.01 . 1 . . . . 20 PHE H . 7149 1 40 . 1 1 20 20 PHE N N 15 120.895 0.10 . 1 . . . . 20 PHE N . 7149 1 41 . 1 1 21 21 SER H H 1 8.377 0.01 . 1 . . . . 21 SER H . 7149 1 42 . 1 1 21 21 SER N N 15 117.853 0.10 . 1 . . . . 21 SER N . 7149 1 43 . 1 1 22 22 GLY H H 1 7.882 0.01 . 1 . . . . 22 GLY H . 7149 1 44 . 1 1 22 22 GLY N N 15 109.845 0.10 . 1 . . . . 22 GLY N . 7149 1 45 . 1 1 23 23 THR H H 1 8.093 0.01 . 1 . . . . 23 THR H . 7149 1 46 . 1 1 23 23 THR N N 15 113.729 0.10 . 1 . . . . 23 THR N . 7149 1 47 . 1 1 24 24 TRP H H 1 8.252 0.01 . 1 . . . . 24 TRP H . 7149 1 48 . 1 1 24 24 TRP N N 15 123.686 0.10 . 1 . . . . 24 TRP N . 7149 1 49 . 1 1 25 25 TYR H H 1 7.830 0.01 . 1 . . . . 25 TYR H . 7149 1 50 . 1 1 25 25 TYR N N 15 121.362 0.10 . 1 . . . . 25 TYR N . 7149 1 51 . 1 1 26 26 ALA H H 1 8.046 0.01 . 1 . . . . 26 ALA H . 7149 1 52 . 1 1 26 26 ALA N N 15 124.476 0.10 . 1 . . . . 26 ALA N . 7149 1 53 . 1 1 27 27 MET H H 1 8.153 0.01 . 1 . . . . 27 MET H . 7149 1 54 . 1 1 27 27 MET N N 15 119.083 0.10 . 1 . . . . 27 MET N . 7149 1 55 . 1 1 28 28 ALA H H 1 8.268 0.01 . 1 . . . . 28 ALA H . 7149 1 56 . 1 1 28 28 ALA N N 15 124.887 0.10 . 1 . . . . 28 ALA N . 7149 1 57 . 1 1 29 29 LYS H H 1 8.317 0.01 . 1 . . . . 29 LYS H . 7149 1 58 . 1 1 29 29 LYS N N 15 120.672 0.10 . 1 . . . . 29 LYS N . 7149 1 59 . 1 1 30 30 LYS H H 1 8.385 0.01 . 1 . . . . 30 LYS H . 7149 1 60 . 1 1 30 30 LYS N N 15 122.106 0.10 . 1 . . . . 30 LYS N . 7149 1 61 . 1 1 31 31 ASP H H 1 8.698 0.01 . 1 . . . . 31 ASP H . 7149 1 62 . 1 1 31 31 ASP N N 15 120.652 0.10 . 1 . . . . 31 ASP N . 7149 1 63 . 1 1 33 33 GLU H H 1 8.328 0.01 . 1 . . . . 33 GLU H . 7149 1 64 . 1 1 33 33 GLU N N 15 118.888 0.10 . 1 . . . . 33 GLU N . 7149 1 65 . 1 1 34 34 GLY H H 1 8.285 0.01 . 1 . . . . 34 GLY H . 7149 1 66 . 1 1 34 34 GLY N N 15 108.930 0.10 . 1 . . . . 34 GLY N . 7149 1 67 . 1 1 35 35 LEU H H 1 7.988 0.01 . 1 . . . . 35 LEU H . 7149 1 68 . 1 1 35 35 LEU N N 15 121.168 0.10 . 1 . . . . 35 LEU N . 7149 1 69 . 1 1 36 36 PHE H H 1 8.377 0.01 . 1 . . . . 36 PHE H . 7149 1 70 . 1 1 36 36 PHE N N 15 120.935 0.10 . 1 . . . . 36 PHE N . 7149 1 71 . 1 1 37 37 LEU H H 1 8.248 0.01 . 1 . . . . 37 LEU H . 7149 1 72 . 1 1 37 37 LEU N N 15 123.764 0.10 . 1 . . . . 37 LEU N . 7149 1 73 . 1 1 38 38 GLN H H 1 8.406 0.01 . 1 . . . . 38 GLN H . 7149 1 74 . 1 1 38 38 GLN N N 15 120.539 0.10 . 1 . . . . 38 GLN N . 7149 1 75 . 1 1 39 39 ASP H H 1 8.540 0.01 . 1 . . . . 39 ASP H . 7149 1 76 . 1 1 39 39 ASP N N 15 119.534 0.10 . 1 . . . . 39 ASP N . 7149 1 77 . 1 1 40 40 ASN H H 1 8.474 0.01 . 1 . . . . 40 ASN H . 7149 1 78 . 1 1 40 40 ASN N N 15 119.095 0.10 . 1 . . . . 40 ASN N . 7149 1 79 . 1 1 41 41 ILE H H 1 8.058 0.01 . 1 . . . . 41 ILE H . 7149 1 80 . 1 1 41 41 ILE N N 15 120.854 0.10 . 1 . . . . 41 ILE N . 7149 1 81 . 1 1 42 42 VAL H H 1 8.199 0.01 . 1 . . . . 42 VAL H . 7149 1 82 . 1 1 42 42 VAL N N 15 123.957 0.10 . 1 . . . . 42 VAL N . 7149 1 83 . 1 1 43 43 ALA H H 1 8.303 0.01 . 1 . . . . 43 ALA H . 7149 1 84 . 1 1 43 43 ALA N N 15 127.165 0.10 . 1 . . . . 43 ALA N . 7149 1 85 . 1 1 44 44 GLU H H 1 8.232 0.01 . 1 . . . . 44 GLU H . 7149 1 86 . 1 1 44 44 GLU N N 15 119.366 0.10 . 1 . . . . 44 GLU N . 7149 1 87 . 1 1 45 45 PHE H H 1 8.232 0.01 . 1 . . . . 45 PHE H . 7149 1 88 . 1 1 45 45 PHE N N 15 119.955 0.10 . 1 . . . . 45 PHE N . 7149 1 89 . 1 1 46 46 SER H H 1 8.317 0.01 . 1 . . . . 46 SER H . 7149 1 90 . 1 1 46 46 SER N N 15 117.147 0.10 . 1 . . . . 46 SER N . 7149 1 91 . 1 1 47 47 VAL H H 1 8.207 0.01 . 1 . . . . 47 VAL H . 7149 1 92 . 1 1 47 47 VAL N N 15 120.966 0.10 . 1 . . . . 47 VAL N . 7149 1 93 . 1 1 48 48 ASP H H 1 8.529 0.01 . 1 . . . . 48 ASP H . 7149 1 94 . 1 1 48 48 ASP N N 15 121.334 0.10 . 1 . . . . 48 ASP N . 7149 1 95 . 1 1 49 49 GLU H H 1 8.377 0.01 . 1 . . . . 49 GLU H . 7149 1 96 . 1 1 49 49 GLU N N 15 120.935 0.10 . 1 . . . . 49 GLU N . 7149 1 97 . 1 1 50 50 THR H H 1 8.191 0.01 . 1 . . . . 50 THR H . 7149 1 98 . 1 1 50 50 THR N N 15 113.772 0.10 . 1 . . . . 50 THR N . 7149 1 99 . 1 1 51 51 GLY H H 1 8.392 0.01 . 1 . . . . 51 GLY H . 7149 1 100 . 1 1 51 51 GLY N N 15 110.294 0.10 . 1 . . . . 51 GLY N . 7149 1 101 . 1 1 52 52 GLN H H 1 8.291 0.01 . 1 . . . . 52 GLN H . 7149 1 102 . 1 1 52 52 GLN N N 15 119.586 0.10 . 1 . . . . 52 GLN N . 7149 1 103 . 1 1 53 53 MET H H 1 8.529 0.01 . 1 . . . . 53 MET H . 7149 1 104 . 1 1 53 53 MET N N 15 121.334 0.10 . 1 . . . . 53 MET N . 7149 1 105 . 1 1 54 54 SER H H 1 8.407 0.01 . 1 . . . . 54 SER H . 7149 1 106 . 1 1 54 54 SER N N 15 116.802 0.10 . 1 . . . . 54 SER N . 7149 1 107 . 1 1 55 55 ALA H H 1 8.498 0.01 . 1 . . . . 55 ALA H . 7149 1 108 . 1 1 55 55 ALA N N 15 125.808 0.10 . 1 . . . . 55 ALA N . 7149 1 109 . 1 1 56 56 THR H H 1 8.078 0.01 . 1 . . . . 56 THR H . 7149 1 110 . 1 1 56 56 THR N N 15 111.702 0.10 . 1 . . . . 56 THR N . 7149 1 111 . 1 1 57 57 ALA H H 1 8.215 0.01 . 1 . . . . 57 ALA H . 7149 1 112 . 1 1 57 57 ALA N N 15 125.861 0.10 . 1 . . . . 57 ALA N . 7149 1 113 . 1 1 58 58 LYS H H 1 8.318 0.01 . 1 . . . . 58 LYS H . 7149 1 114 . 1 1 58 58 LYS N N 15 120.318 0.10 . 1 . . . . 58 LYS N . 7149 1 115 . 1 1 59 59 GLY H H 1 8.367 0.01 . 1 . . . . 59 GLY H . 7149 1 116 . 1 1 59 59 GLY N N 15 109.256 0.10 . 1 . . . . 59 GLY N . 7149 1 117 . 1 1 60 60 ARG H H 1 8.242 0.01 . 1 . . . . 60 ARG H . 7149 1 118 . 1 1 60 60 ARG N N 15 120.541 0.10 . 1 . . . . 60 ARG N . 7149 1 119 . 1 1 61 61 VAL H H 1 8.519 0.01 . 1 . . . . 61 VAL H . 7149 1 120 . 1 1 61 61 VAL N N 15 125.417 0.10 . 1 . . . . 61 VAL N . 7149 1 121 . 1 1 62 62 ARG H H 1 8.290 0.01 . 1 . . . . 62 ARG H . 7149 1 122 . 1 1 62 62 ARG N N 15 121.317 0.10 . 1 . . . . 62 ARG N . 7149 1 123 . 1 1 63 63 LEU H H 1 8.399 0.01 . 1 . . . . 63 LEU H . 7149 1 124 . 1 1 63 63 LEU N N 15 123.306 0.10 . 1 . . . . 63 LEU N . 7149 1 125 . 1 1 64 64 LEU H H 1 8.429 0.01 . 1 . . . . 64 LEU H . 7149 1 126 . 1 1 64 64 LEU N N 15 124.610 0.10 . 1 . . . . 64 LEU N . 7149 1 127 . 1 1 65 65 ASN H H 1 8.474 0.01 . 1 . . . . 65 ASN H . 7149 1 128 . 1 1 65 65 ASN N N 15 119.095 0.10 . 1 . . . . 65 ASN N . 7149 1 129 . 1 1 66 66 ASN H H 1 8.397 0.01 . 1 . . . . 66 ASN H . 7149 1 130 . 1 1 66 66 ASN N N 15 118.942 0.10 . 1 . . . . 66 ASN N . 7149 1 131 . 1 1 67 67 TRP H H 1 8.096 0.01 . 1 . . . . 67 TRP H . 7149 1 132 . 1 1 67 67 TRP N N 15 120.356 0.10 . 1 . . . . 67 TRP N . 7149 1 133 . 1 1 68 68 ASP H H 1 8.304 0.01 . 1 . . . . 68 ASP H . 7149 1 134 . 1 1 68 68 ASP N N 15 119.832 0.10 . 1 . . . . 68 ASP N . 7149 1 135 . 1 1 69 69 VAL H H 1 7.929 0.01 . 1 . . . . 69 VAL H . 7149 1 136 . 1 1 69 69 VAL N N 15 119.377 0.10 . 1 . . . . 69 VAL N . 7149 1 137 . 1 1 70 70 CYS H H 1 8.354 0.01 . 1 . . . . 70 CYS H . 7149 1 138 . 1 1 70 70 CYS N N 15 120.346 0.10 . 1 . . . . 70 CYS N . 7149 1 139 . 1 1 71 71 ALA H H 1 8.268 0.01 . 1 . . . . 71 ALA H . 7149 1 140 . 1 1 71 71 ALA N N 15 124.526 0.10 . 1 . . . . 71 ALA N . 7149 1 141 . 1 1 72 72 ASP H H 1 8.371 0.01 . 1 . . . . 72 ASP H . 7149 1 142 . 1 1 72 72 ASP N N 15 117.254 0.10 . 1 . . . . 72 ASP N . 7149 1 143 . 1 1 73 73 MET H H 1 8.317 0.01 . 1 . . . . 73 MET H . 7149 1 144 . 1 1 73 73 MET N N 15 120.672 0.10 . 1 . . . . 73 MET N . 7149 1 145 . 1 1 74 74 VAL H H 1 8.156 0.01 . 1 . . . . 74 VAL H . 7149 1 146 . 1 1 74 74 VAL N N 15 120.644 0.10 . 1 . . . . 74 VAL N . 7149 1 147 . 1 1 75 75 GLY H H 1 8.429 0.01 . 1 . . . . 75 GLY H . 7149 1 148 . 1 1 75 75 GLY N N 15 111.790 0.10 . 1 . . . . 75 GLY N . 7149 1 149 . 1 1 76 76 THR H H 1 8.023 0.01 . 1 . . . . 76 THR H . 7149 1 150 . 1 1 76 76 THR N N 15 113.326 0.10 . 1 . . . . 76 THR N . 7149 1 151 . 1 1 77 77 PHE H H 1 8.405 0.01 . 1 . . . . 77 PHE H . 7149 1 152 . 1 1 77 77 PHE N N 15 122.204 0.10 . 1 . . . . 77 PHE N . 7149 1 153 . 1 1 78 78 THR H H 1 8.197 0.01 . 1 . . . . 78 THR H . 7149 1 154 . 1 1 78 78 THR N N 15 115.536 0.10 . 1 . . . . 78 THR N . 7149 1 155 . 1 1 79 79 ASP H H 1 8.508 0.01 . 1 . . . . 79 ASP H . 7149 1 156 . 1 1 79 79 ASP N N 15 121.095 0.10 . 1 . . . . 79 ASP N . 7149 1 157 . 1 1 80 80 THR H H 1 8.185 0.01 . 1 . . . . 80 THR H . 7149 1 158 . 1 1 80 80 THR N N 15 114.032 0.10 . 1 . . . . 80 THR N . 7149 1 159 . 1 1 81 81 GLU H H 1 8.290 0.01 . 1 . . . . 81 GLU H . 7149 1 160 . 1 1 81 81 GLU N N 15 121.317 0.10 . 1 . . . . 81 GLU N . 7149 1 161 . 1 1 82 82 ASP H H 1 8.523 0.01 . 1 . . . . 82 ASP H . 7149 1 162 . 1 1 82 82 ASP N N 15 119.950 0.10 . 1 . . . . 82 ASP N . 7149 1 163 . 1 1 84 84 ALA H H 1 8.180 0.01 . 1 . . . . 84 ALA H . 7149 1 164 . 1 1 84 84 ALA N N 15 122.854 0.10 . 1 . . . . 84 ALA N . 7149 1 165 . 1 1 85 85 LYS H H 1 8.125 0.01 . 1 . . . . 85 LYS H . 7149 1 166 . 1 1 85 85 LYS N N 15 119.577 0.10 . 1 . . . . 85 LYS N . 7149 1 167 . 1 1 86 86 PHE H H 1 8.125 0.01 . 1 . . . . 86 PHE H . 7149 1 168 . 1 1 86 86 PHE N N 15 120.175 0.10 . 1 . . . . 86 PHE N . 7149 1 169 . 1 1 87 87 LYS H H 1 8.324 0.01 . 1 . . . . 87 LYS H . 7149 1 170 . 1 1 87 87 LYS N N 15 123.106 0.10 . 1 . . . . 87 LYS N . 7149 1 171 . 1 1 88 88 MET H H 1 8.405 0.01 . 1 . . . . 88 MET H . 7149 1 172 . 1 1 88 88 MET N N 15 122.204 0.10 . 1 . . . . 88 MET N . 7149 1 173 . 1 1 89 89 LYS H H 1 8.423 0.01 . 1 . . . . 89 LYS H . 7149 1 174 . 1 1 89 89 LYS N N 15 122.965 0.10 . 1 . . . . 89 LYS N . 7149 1 175 . 1 1 90 90 TYR H H 1 8.247 0.01 . 1 . . . . 90 TYR H . 7149 1 176 . 1 1 90 90 TYR N N 15 121.114 0.10 . 1 . . . . 90 TYR N . 7149 1 177 . 1 1 91 91 TRP H H 1 8.248 0.01 . 1 . . . . 91 TRP H . 7149 1 178 . 1 1 91 91 TRP N N 15 123.401 0.10 . 1 . . . . 91 TRP N . 7149 1 179 . 1 1 92 92 GLY H H 1 7.851 0.01 . 1 . . . . 92 GLY H . 7149 1 180 . 1 1 92 92 GLY N N 15 109.577 0.10 . 1 . . . . 92 GLY N . 7149 1 181 . 1 1 93 93 VAL H H 1 7.993 0.01 . 1 . . . . 93 VAL H . 7149 1 182 . 1 1 93 93 VAL N N 15 118.729 0.10 . 1 . . . . 93 VAL N . 7149 1 183 . 1 1 94 94 ALA H H 1 8.399 0.01 . 1 . . . . 94 ALA H . 7149 1 184 . 1 1 94 94 ALA N N 15 126.967 0.10 . 1 . . . . 94 ALA N . 7149 1 185 . 1 1 95 95 SER H H 1 8.215 0.01 . 1 . . . . 95 SER H . 7149 1 186 . 1 1 95 95 SER N N 15 114.872 0.10 . 1 . . . . 95 SER N . 7149 1 187 . 1 1 96 96 PHE H H 1 8.163 0.01 . 1 . . . . 96 PHE H . 7149 1 188 . 1 1 96 96 PHE N N 15 121.293 0.10 . 1 . . . . 96 PHE N . 7149 1 189 . 1 1 97 97 LEU H H 1 8.105 0.01 . 1 . . . . 97 LEU H . 7149 1 190 . 1 1 97 97 LEU N N 15 122.901 0.10 . 1 . . . . 97 LEU N . 7149 1 191 . 1 1 98 98 GLN H H 1 8.339 0.01 . 1 . . . . 98 GLN H . 7149 1 192 . 1 1 98 98 GLN N N 15 121.382 0.10 . 1 . . . . 98 GLN N . 7149 1 193 . 1 1 99 99 LYS H H 1 8.445 0.01 . 1 . . . . 99 LYS H . 7149 1 194 . 1 1 99 99 LYS N N 15 122.968 0.10 . 1 . . . . 99 LYS N . 7149 1 195 . 1 1 100 100 GLY H H 1 8.408 0.01 . 1 . . . . 100 GLY H . 7149 1 196 . 1 1 100 100 GLY N N 15 109.520 0.10 . 1 . . . . 100 GLY N . 7149 1 197 . 1 1 101 101 ASN H H 1 8.375 0.01 . 1 . . . . 101 ASN H . 7149 1 198 . 1 1 101 101 ASN N N 15 118.270 0.10 . 1 . . . . 101 ASN N . 7149 1 199 . 1 1 102 102 ASP H H 1 8.551 0.01 . 1 . . . . 102 ASP H . 7149 1 200 . 1 1 102 102 ASP N N 15 118.933 0.10 . 1 . . . . 102 ASP N . 7149 1 201 . 1 1 103 103 ASP H H 1 8.396 0.01 . 1 . . . . 103 ASP H . 7149 1 202 . 1 1 103 103 ASP N N 15 118.636 0.10 . 1 . . . . 103 ASP N . 7149 1 203 . 1 1 104 104 HIS H H 1 8.352 0.01 . 1 . . . . 104 HIS H . 7149 1 204 . 1 1 104 104 HIS N N 15 118.370 0.10 . 1 . . . . 104 HIS N . 7149 1 205 . 1 1 105 105 TRP H H 1 8.133 0.01 . 1 . . . . 105 TRP H . 7149 1 206 . 1 1 105 105 TRP N N 15 121.729 0.10 . 1 . . . . 105 TRP N . 7149 1 207 . 1 1 106 106 ILE H H 1 8.188 0.01 . 1 . . . . 106 ILE H . 7149 1 208 . 1 1 106 106 ILE N N 15 122.796 0.10 . 1 . . . . 106 ILE N . 7149 1 209 . 1 1 107 107 VAL H H 1 8.199 0.01 . 1 . . . . 107 VAL H . 7149 1 210 . 1 1 107 107 VAL N N 15 123.957 0.10 . 1 . . . . 107 VAL N . 7149 1 211 . 1 1 108 108 ASP H H 1 8.608 0.01 . 1 . . . . 108 ASP H . 7149 1 212 . 1 1 108 108 ASP N N 15 122.770 0.10 . 1 . . . . 108 ASP N . 7149 1 213 . 1 1 109 109 THR H H 1 8.186 0.01 . 1 . . . . 109 THR H . 7149 1 214 . 1 1 109 109 THR N N 15 114.379 0.10 . 1 . . . . 109 THR N . 7149 1 215 . 1 1 110 110 ASP H H 1 8.372 0.01 . 1 . . . . 110 ASP H . 7149 1 216 . 1 1 110 110 ASP N N 15 120.214 0.10 . 1 . . . . 110 ASP N . 7149 1 217 . 1 1 111 111 TYR H H 1 8.096 0.01 . 1 . . . . 111 TYR H . 7149 1 218 . 1 1 111 111 TYR N N 15 120.356 0.10 . 1 . . . . 111 TYR N . 7149 1 219 . 1 1 112 112 ASP H H 1 8.414 0.01 . 1 . . . . 112 ASP H . 7149 1 220 . 1 1 112 112 ASP N N 15 119.871 0.10 . 1 . . . . 112 ASP N . 7149 1 221 . 1 1 113 113 THR H H 1 8.063 0.01 . 1 . . . . 113 THR H . 7149 1 222 . 1 1 113 113 THR N N 15 114.146 0.10 . 1 . . . . 113 THR N . 7149 1 223 . 1 1 114 114 TYR H H 1 8.058 0.01 . 1 . . . . 114 TYR H . 7149 1 224 . 1 1 114 114 TYR N N 15 121.199 0.10 . 1 . . . . 114 TYR N . 7149 1 225 . 1 1 115 115 ALA H H 1 8.123 0.01 . 1 . . . . 115 ALA H . 7149 1 226 . 1 1 115 115 ALA N N 15 124.667 0.10 . 1 . . . . 115 ALA N . 7149 1 227 . 1 1 116 116 VAL H H 1 8.044 0.01 . 1 . . . . 116 VAL H . 7149 1 228 . 1 1 116 116 VAL N N 15 119.447 0.10 . 1 . . . . 116 VAL N . 7149 1 229 . 1 1 117 117 GLN H H 1 8.436 0.01 . 1 . . . . 117 GLN H . 7149 1 230 . 1 1 117 117 GLN N N 15 123.202 0.10 . 1 . . . . 117 GLN N . 7149 1 231 . 1 1 118 118 TYR H H 1 8.290 0.01 . 1 . . . . 118 TYR H . 7149 1 232 . 1 1 118 118 TYR N N 15 121.317 0.10 . 1 . . . . 118 TYR N . 7149 1 233 . 1 1 119 119 SER H H 1 8.377 0.01 . 1 . . . . 119 SER H . 7149 1 234 . 1 1 119 119 SER N N 15 116.593 0.10 . 1 . . . . 119 SER N . 7149 1 235 . 1 1 120 120 CYS H H 1 8.550 0.01 . 1 . . . . 120 CYS H . 7149 1 236 . 1 1 120 120 CYS N N 15 121.152 0.10 . 1 . . . . 120 CYS N . 7149 1 237 . 1 1 121 121 ARG H H 1 8.648 0.01 . 1 . . . . 121 ARG H . 7149 1 238 . 1 1 121 121 ARG N N 15 124.183 0.10 . 1 . . . . 121 ARG N . 7149 1 239 . 1 1 122 122 LEU H H 1 7.949 0.01 . 1 . . . . 122 LEU H . 7149 1 240 . 1 1 122 122 LEU N N 15 120.568 0.10 . 1 . . . . 122 LEU N . 7149 1 241 . 1 1 123 123 LEU H H 1 8.542 0.01 . 1 . . . . 123 LEU H . 7149 1 242 . 1 1 123 123 LEU N N 15 123.784 0.10 . 1 . . . . 123 LEU N . 7149 1 243 . 1 1 124 124 ASN H H 1 8.579 0.01 . 1 . . . . 124 ASN H . 7149 1 244 . 1 1 124 124 ASN N N 15 118.271 0.10 . 1 . . . . 124 ASN N . 7149 1 245 . 1 1 125 125 LEU H H 1 8.555 0.01 . 1 . . . . 125 LEU H . 7149 1 246 . 1 1 125 125 LEU N N 15 121.668 0.10 . 1 . . . . 125 LEU N . 7149 1 247 . 1 1 126 126 ASP H H 1 8.252 0.01 . 1 . . . . 126 ASP H . 7149 1 248 . 1 1 126 126 ASP N N 15 114.734 0.10 . 1 . . . . 126 ASP N . 7149 1 249 . 1 1 127 127 GLY H H 1 8.125 0.01 . 1 . . . . 127 GLY H . 7149 1 250 . 1 1 127 127 GLY N N 15 107.238 0.10 . 1 . . . . 127 GLY N . 7149 1 251 . 1 1 128 128 THR H H 1 7.730 0.01 . 1 . . . . 128 THR H . 7149 1 252 . 1 1 128 128 THR N N 15 110.813 0.10 . 1 . . . . 128 THR N . 7149 1 253 . 1 1 129 129 CYS H H 1 8.787 0.01 . 1 . . . . 129 CYS H . 7149 1 254 . 1 1 129 129 CYS N N 15 120.067 0.10 . 1 . . . . 129 CYS N . 7149 1 255 . 1 1 130 130 ALA H H 1 8.720 0.01 . 1 . . . . 130 ALA H . 7149 1 256 . 1 1 130 130 ALA N N 15 127.176 0.10 . 1 . . . . 130 ALA N . 7149 1 257 . 1 1 131 131 ASP H H 1 8.377 0.01 . 1 . . . . 131 ASP H . 7149 1 258 . 1 1 131 131 ASP N N 15 117.853 0.10 . 1 . . . . 131 ASP N . 7149 1 259 . 1 1 132 132 SER H H 1 8.312 0.01 . 1 . . . . 132 SER H . 7149 1 260 . 1 1 132 132 SER N N 15 116.274 0.10 . 1 . . . . 132 SER N . 7149 1 261 . 1 1 133 133 TYR H H 1 8.215 0.01 . 1 . . . . 133 TYR H . 7149 1 262 . 1 1 133 133 TYR N N 15 121.521 0.10 . 1 . . . . 133 TYR N . 7149 1 263 . 1 1 134 134 SER H H 1 8.190 0.01 . 1 . . . . 134 SER H . 7149 1 264 . 1 1 134 134 SER N N 15 116.607 0.10 . 1 . . . . 134 SER N . 7149 1 265 . 1 1 135 135 PHE H H 1 8.200 0.01 . 1 . . . . 135 PHE H . 7149 1 266 . 1 1 135 135 PHE N N 15 122.254 0.10 . 1 . . . . 135 PHE N . 7149 1 267 . 1 1 136 136 VAL H H 1 8.014 0.01 . 1 . . . . 136 VAL H . 7149 1 268 . 1 1 136 136 VAL N N 15 121.618 0.10 . 1 . . . . 136 VAL N . 7149 1 269 . 1 1 137 137 PHE H H 1 8.285 0.01 . 1 . . . . 137 PHE H . 7149 1 270 . 1 1 137 137 PHE N N 15 123.562 0.10 . 1 . . . . 137 PHE N . 7149 1 271 . 1 1 138 138 SER H H 1 8.305 0.01 . 1 . . . . 138 SER H . 7149 1 272 . 1 1 138 138 SER N N 15 117.026 0.10 . 1 . . . . 138 SER N . 7149 1 273 . 1 1 139 139 ARG H H 1 8.398 0.01 . 1 . . . . 139 ARG H . 7149 1 274 . 1 1 139 139 ARG N N 15 122.572 0.10 . 1 . . . . 139 ARG N . 7149 1 275 . 1 1 140 140 ASP H H 1 8.583 0.01 . 1 . . . . 140 ASP H . 7149 1 276 . 1 1 140 140 ASP N N 15 119.824 0.10 . 1 . . . . 140 ASP N . 7149 1 277 . 1 1 142 142 ASN H H 1 8.305 0.01 . 1 . . . . 142 ASN H . 7149 1 278 . 1 1 142 142 ASN N N 15 117.026 0.10 . 1 . . . . 142 ASN N . 7149 1 279 . 1 1 143 143 GLY H H 1 8.136 0.01 . 1 . . . . 143 GLY H . 7149 1 280 . 1 1 143 143 GLY N N 15 108.095 0.10 . 1 . . . . 143 GLY N . 7149 1 281 . 1 1 144 144 LEU H H 1 8.108 0.01 . 1 . . . . 144 LEU H . 7149 1 282 . 1 1 144 144 LEU N N 15 122.119 0.10 . 1 . . . . 144 LEU N . 7149 1 283 . 1 1 147 147 GLU H H 1 8.433 0.01 . 1 . . . . 147 GLU H . 7149 1 284 . 1 1 147 147 GLU N N 15 119.725 0.10 . 1 . . . . 147 GLU N . 7149 1 285 . 1 1 148 148 ALA H H 1 8.359 0.01 . 1 . . . . 148 ALA H . 7149 1 286 . 1 1 148 148 ALA N N 15 124.773 0.10 . 1 . . . . 148 ALA N . 7149 1 287 . 1 1 149 149 GLN H H 1 8.375 0.01 . 1 . . . . 149 GLN H . 7149 1 288 . 1 1 149 149 GLN N N 15 119.544 0.10 . 1 . . . . 149 GLN N . 7149 1 289 . 1 1 150 150 LYS H H 1 8.440 0.01 . 1 . . . . 150 LYS H . 7149 1 290 . 1 1 150 150 LYS N N 15 122.689 0.10 . 1 . . . . 150 LYS N . 7149 1 291 . 1 1 151 151 ILE H H 1 8.324 0.01 . 1 . . . . 151 ILE H . 7149 1 292 . 1 1 151 151 ILE N N 15 123.106 0.10 . 1 . . . . 151 ILE N . 7149 1 293 . 1 1 152 152 VAL H H 1 8.391 0.01 . 1 . . . . 152 VAL H . 7149 1 294 . 1 1 152 152 VAL N N 15 125.592 0.10 . 1 . . . . 152 VAL N . 7149 1 295 . 1 1 153 153 ARG H H 1 8.519 0.01 . 1 . . . . 153 ARG H . 7149 1 296 . 1 1 153 153 ARG N N 15 125.417 0.10 . 1 . . . . 153 ARG N . 7149 1 297 . 1 1 154 154 GLN H H 1 8.582 0.01 . 1 . . . . 154 GLN H . 7149 1 298 . 1 1 154 154 GLN N N 15 121.699 0.10 . 1 . . . . 154 GLN N . 7149 1 299 . 1 1 155 155 ARG H H 1 8.576 0.01 . 1 . . . . 155 ARG H . 7149 1 300 . 1 1 155 155 ARG N N 15 122.745 0.10 . 1 . . . . 155 ARG N . 7149 1 301 . 1 1 156 156 GLN H H 1 8.537 0.01 . 1 . . . . 156 GLN H . 7149 1 302 . 1 1 156 156 GLN N N 15 121.963 0.10 . 1 . . . . 156 GLN N . 7149 1 303 . 1 1 157 157 GLU H H 1 8.530 0.01 . 1 . . . . 157 GLU H . 7149 1 304 . 1 1 157 157 GLU N N 15 121.726 0.10 . 1 . . . . 157 GLU N . 7149 1 305 . 1 1 159 159 LEU H H 1 8.415 0.01 . 1 . . . . 159 LEU H . 7149 1 306 . 1 1 159 159 LEU N N 15 123.306 0.10 . 1 . . . . 159 LEU N . 7149 1 307 . 1 1 160 160 CYS H H 1 8.603 0.01 . 1 . . . . 160 CYS H . 7149 1 308 . 1 1 160 160 CYS N N 15 119.443 0.10 . 1 . . . . 160 CYS N . 7149 1 309 . 1 1 161 161 LEU H H 1 8.460 0.01 . 1 . . . . 161 LEU H . 7149 1 310 . 1 1 161 161 LEU N N 15 123.749 0.10 . 1 . . . . 161 LEU N . 7149 1 311 . 1 1 162 162 ALA H H 1 8.425 0.01 . 1 . . . . 162 ALA H . 7149 1 312 . 1 1 162 162 ALA N N 15 125.374 0.10 . 1 . . . . 162 ALA N . 7149 1 313 . 1 1 164 164 GLN H H 1 8.463 0.01 . 1 . . . . 164 GLN H . 7149 1 314 . 1 1 164 164 GLN N N 15 121.165 0.10 . 1 . . . . 164 GLN N . 7149 1 315 . 1 1 165 165 TYR H H 1 8.278 0.01 . 1 . . . . 165 TYR H . 7149 1 316 . 1 1 165 165 TYR N N 15 121.472 0.10 . 1 . . . . 165 TYR N . 7149 1 317 . 1 1 166 166 ARG H H 1 8.389 0.01 . 1 . . . . 166 ARG H . 7149 1 318 . 1 1 166 166 ARG N N 15 122.790 0.10 . 1 . . . . 166 ARG N . 7149 1 319 . 1 1 167 167 LEU H H 1 8.344 0.01 . 1 . . . . 167 LEU H . 7149 1 320 . 1 1 167 167 LEU N N 15 124.189 0.10 . 1 . . . . 167 LEU N . 7149 1 321 . 1 1 168 168 ILE H H 1 8.396 0.01 . 1 . . . . 168 ILE H . 7149 1 322 . 1 1 168 168 ILE N N 15 123.898 0.10 . 1 . . . . 168 ILE N . 7149 1 323 . 1 1 169 169 VAL H H 1 8.294 0.01 . 1 . . . . 169 VAL H . 7149 1 324 . 1 1 169 169 VAL N N 15 124.937 0.10 . 1 . . . . 169 VAL N . 7149 1 325 . 1 1 170 170 HIS H H 1 8.740 0.01 . 1 . . . . 170 HIS H . 7149 1 326 . 1 1 170 170 HIS N N 15 122.689 0.10 . 1 . . . . 170 HIS N . 7149 1 327 . 1 1 171 171 ASN H H 1 8.620 0.01 . 1 . . . . 171 ASN H . 7149 1 328 . 1 1 171 171 ASN N N 15 120.704 0.10 . 1 . . . . 171 ASN N . 7149 1 329 . 1 1 172 172 GLY H H 1 8.434 0.01 . 1 . . . . 172 GLY H . 7149 1 330 . 1 1 172 172 GLY N N 15 109.075 0.10 . 1 . . . . 172 GLY N . 7149 1 331 . 1 1 173 173 TYR H H 1 8.171 0.01 . 1 . . . . 173 TYR H . 7149 1 332 . 1 1 173 173 TYR N N 15 119.795 0.10 . 1 . . . . 173 TYR N . 7149 1 333 . 1 1 174 174 CYS H H 1 8.540 0.01 . 1 . . . . 174 CYS H . 7149 1 334 . 1 1 174 174 CYS N N 15 119.534 0.10 . 1 . . . . 174 CYS N . 7149 1 335 . 1 1 176 176 GLY H H 1 8.345 0.01 . 1 . . . . 176 GLY H . 7149 1 336 . 1 1 176 176 GLY N N 15 108.901 0.10 . 1 . . . . 176 GLY N . 7149 1 337 . 1 1 177 177 ARG H H 1 8.168 0.01 . 1 . . . . 177 ARG H . 7149 1 338 . 1 1 177 177 ARG N N 15 120.088 0.10 . 1 . . . . 177 ARG N . 7149 1 339 . 1 1 178 178 SER H H 1 8.459 0.01 . 1 . . . . 178 SER H . 7149 1 340 . 1 1 178 178 SER N N 15 116.708 0.10 . 1 . . . . 178 SER N . 7149 1 341 . 1 1 179 179 GLU H H 1 8.461 0.01 . 1 . . . . 179 GLU H . 7149 1 342 . 1 1 179 179 GLU N N 15 122.164 0.10 . 1 . . . . 179 GLU N . 7149 1 343 . 1 1 180 180 ARG H H 1 8.393 0.01 . 1 . . . . 180 ARG H . 7149 1 344 . 1 1 180 180 ARG N N 15 121.409 0.10 . 1 . . . . 180 ARG N . 7149 1 345 . 1 1 181 181 ASN H H 1 8.540 0.01 . 1 . . . . 181 ASN H . 7149 1 346 . 1 1 181 181 ASN N N 15 119.534 0.10 . 1 . . . . 181 ASN N . 7149 1 347 . 1 1 182 182 LEU H H 1 8.282 0.01 . 1 . . . . 182 LEU H . 7149 1 348 . 1 1 182 182 LEU N N 15 122.573 0.10 . 1 . . . . 182 LEU N . 7149 1 stop_ save_