data_10052 save_study_list _Study_list.Sf_category study_list _Study_list.Sf_framecode study_list _Study_list.Entry_ID 10052 _Study_list.ID 1 loop_ _Study.ID _Study.Name _Study.Type _Study.Details _Study.Entry_ID _Study.Study_list_ID . 'characterization of PCP in the D1 state' 'Structure analysis' 'characterization of PCP-0SH in the D1 state was examined by using H/D exchange experiments.' 10052 1 stop_ loop_ _Study_keyword.Study_ID _Study_keyword.Keyword _Study_keyword.Entry_ID _Study_keyword.Study_list_ID 1 folding 10052 1 1 'H/D exchange' 10052 1 1 Hyperthermophile 10052 1 1 intermediate 10052 1 1 PCP 10052 1 1 'Pyrococcus furiosus' 10052 1 1 'pyrrolidone carboxyl peptidase' 10052 1 stop_ save_ ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 10052 _Entry.Title ; characterization of PCP-0SH in the D1 state was examined by using H/D exchange experiments. ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2006-11-20 _Entry.Accession_date 2006-11-20 _Entry.Last_release_date . _Entry.Original_release_date . _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 . _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 Satoshi Iimura . . . 10052 2 Taro Umezaki . . . 10052 3 Makoto Takeuchi . . . 10052 4 Mineyuki Mizuguchi . . . 10052 5 Kyoko Ogasahara . . . 10052 6 Hiromasa Yagi . . . 10052 7 Hideo Akutsu . . . 10052 8 Yasuo Noda . . . 10052 9 Shin-ichi Segawa . . . 10052 10 Katsuhide Yutani . . . 10052 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 2 10052 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 513 10052 '15N chemical shifts' 296 10052 '1H chemical shifts' 296 10052 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 2 . . 2008-07-17 2006-11-20 update BMRB 'complete entry citation' 10052 1 . . 2007-06-13 2006-11-20 original author 'original release' 10052 stop_ save_ ############### # Citations # ############### save_citation_1 _Citation.Sf_category citations _Citation.Sf_framecode citation_1 _Citation.Entry_ID 10052 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 17309236 _Citation.Full_citation . _Citation.Title ; Characterization of the denatured structure of pyrrolidone carboxyl peptidase from a hyperthermophile under non-denaturing conditions: Role of the C-terminal a-helix of the protein in folding and stability ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev Biochemistry _Citation.Journal_name_full . _Citation.Journal_volume 46 _Citation.Journal_issue 12 _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 3664 _Citation.Page_last 3672 _Citation.Year 2007 _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 Satoshi Iimura . . . 10052 1 2 Taro Umezaki . . . 10052 1 3 Makoto Takeuchi . . . 10052 1 4 Mineyuki Mizuguchi . . . 10052 1 5 Hiromasa Yagi . . . 10052 1 6 Kyoko Ogasahara . . . 10052 1 7 Hideo Akutsu . . . 10052 1 8 Yasuo Noda . . . 10052 1 9 Shin-ichi Segawa . . . 10052 1 10 Katsuhide Yutani . . . 10052 1 stop_ save_ save_citation_2 _Citation.Sf_category citations _Citation.Sf_framecode citation_2 _Citation.Entry_ID 10052 _Citation.ID 2 _Citation.Class 'reference citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 15362877 _Citation.Full_citation . _Citation.Title ; Unusually slow denaturation and refolding processes of pyrrolidone carboxyl peptidase from a hyperthermophile are highly cooperative: Real-time NMR studies ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev Biochemistry _Citation.Journal_name_full . _Citation.Journal_volume 43 _Citation.Journal_issue 37 _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 11906 _Citation.Page_last 11915 _Citation.Year 2004 _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 Satoshi Iimura . . . 10052 2 2 Hiromasa Yagi . . . 10052 2 3 Kyoko Ogasahara . . . 10052 2 4 Hideo Akutsu . . . 10052 2 5 Yasuo Noda . . . 10052 2 6 Shin-ichi Segawa . . . 10052 2 7 Katsuhide Yutani . . . 10052 2 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 10052 _Assembly.ID 1 _Assembly.Name 'PCP homo tetramer' _Assembly.BMRB_code . _Assembly.Number_of_components 4 _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 'free and other bound' _Assembly.Molecular_mass 91200 _Assembly.Enzyme_commission_number . _Assembly.Details . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Assembly_type.Type _Assembly_type.Entry_ID _Assembly_type.Assembly_ID 'protein-protein complex' 10052 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 'PCP homo tetramer subunit 1' 1 $PCP-0SH . . yes native no no 1 . . 10052 1 2 'PCP homo tetramer subunit 2' 1 $PCP-0SH . . yes native no no 1 . . 10052 1 3 'PCP homo tetramer subunit 3' 1 $PCP-0SH . . yes native no no 1 . . 10052 1 4 'PCP homo tetramer subunit 4' 1 $PCP-0SH . . yes native no no 1 . . 10052 1 stop_ loop_ _Assembly_db_link.Author_supplied _Assembly_db_link.Database_code _Assembly_db_link.Accession_code _Assembly_db_link.Entry_mol_code _Assembly_db_link.Entry_mol_name _Assembly_db_link.Entry_experimental_method _Assembly_db_link.Entry_structure_resolution _Assembly_db_link.Entry_relation_type _Assembly_db_link.Entry_details _Assembly_db_link.Entry_ID _Assembly_db_link.Assembly_ID yes PDB 1IOF . . 'X-ray Crystal Diffraction and Analysis' 2.2 'Tetramer structure at pH 4.6' ; crystalline structure of pyrrolidone carboxyl peptidase from a hyperthermophile, Pyrococcus furiosus ; 10052 1 yes PDB 1IOI . . 'X-ray Crystal Diffraction and Analysis' 2.7 'Tetramer structure at pH 4.6' ; crystalline structure of cystein-free pyrrolidone carboxyl peptidase from a hyperthermophile, Pyrococcus furiosus ; 10052 1 stop_ loop_ _Assembly_bio_function.Biological_function _Assembly_bio_function.Entry_ID _Assembly_bio_function.Assembly_ID 'removal of N-terminal pyroglutamic acid from polypeptide' 10052 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_PCP-0SH _Entity.Sf_category entity _Entity.Sf_framecode PCP-0SH _Entity.Entry_ID 10052 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name 'pyrrolidone carboxyl peptidase cys-free mutant' _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 ; MKVLVTGFEPFGGEKINPTE RIAKDLDGIKIGDAQVFGRV LPVVFGKAKEVLEKTLEEIK PDIAIHVGLAPGRSAISIER IAVNAIDARIPDNEGKKIED EPIVPGAPTAYFSTLPIKKI MKKLHERGIPAYISNSAGLY LSNYVMYLSLHHSATKGYPK MSGFIHVPYIPEQIIDKIGK GQVPPSMSYEMELEAVKVAI EVALEELL ; _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 208 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'not present' _Entity.Src_method . _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 22800 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details 'PCP exists in monomeric form in this condition that NMR peak assignment has done.' _Entity.DB_query_date . _Entity.DB_query_revised_last_date 2015-11-26 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 1IOF . "X-Ray Crystalline Structures Of Pyrrolidone Carboxyl Peptidase From A Hyperthermophile, Pyrococcus Furiosus, And Its Cys-Free M" . . . . . 100.00 208 99.04 99.04 4.52e-143 . . . . 10052 1 2 no PDB 1IOI . "X-Ray Crystalline Structures Of Pyrrolidone Carboxyl Peptidase From A Hyperthermophile, Pyrococcus Furiosus, And Its Cys-Free M" . . . . . 100.00 208 100.00 100.00 5.30e-144 . . . . 10052 1 3 no PDB 1X10 . "Structure Of Mutant Pyrrolidone Carboxyl Peptidase (E192a) From A Hyperthermophile, Pyrococcus Furiosus" . . . . . 100.00 208 99.52 99.52 2.43e-143 . . . . 10052 1 4 no PDB 1X12 . "Structure Of Mutant Pyrrolidone Carboxyl Peptidase (E192d) From A Hyperthermophile, Pyrococcus Furiosus" . . . . . 100.00 208 99.52 100.00 1.20e-143 . . . . 10052 1 5 no PDB 1Z8T . "Structure Of Mutant Pyrrolidone Carboxyl Peptidase (E192q) From A Hyperthermophile, Pyrococcus Furiosus" . . . . . 100.00 208 99.52 100.00 1.17e-143 . . . . 10052 1 6 no PDB 1Z8W . "Structure Of Mutant Pyrrolidone Carboxyl Peptidase (E192i) From A Hyperthermophile, Pyrococcus Furiosus" . . . . . 100.00 208 99.52 99.52 7.82e-143 . . . . 10052 1 7 no PDB 1Z8X . "Structure Of Mutant Pyrrolidone Carboxyl Peptidase (E192v) From A Hyperthermophile, Pyrococcus Furiosus" . . . . . 100.00 208 99.52 99.52 5.69e-143 . . . . 10052 1 8 no PDB 2DF5 . "Crystal Structure Of Pf-Pcp(1-204)-C" . . . . . 99.04 213 98.06 98.54 1.04e-140 . . . . 10052 1 9 no PDB 2EO8 . "Crystal Structure Of A Mutant Pyrrolidone Carboxyl Peptidase (A199p) From P. Furiosus" . . . . . 100.00 208 99.52 99.52 5.82e-143 . . . . 10052 1 10 no DBJ BAA32989 . "pyrrolidone carboxyl peptidase [Pyrococcus furiosus]" . . . . . 100.00 208 99.04 99.04 4.52e-143 . . . . 10052 1 11 no GB AAL81423 . "pyroglutamyl-peptidase i [Pyrococcus furiosus DSM 3638]" . . . . . 100.00 208 99.04 99.04 4.52e-143 . . . . 10052 1 12 no GB AFN04083 . "pyrrolidone-carboxylate peptidase [Pyrococcus furiosus COM1]" . . . . . 100.00 208 99.04 99.04 4.52e-143 . . . . 10052 1 13 no REF WP_011012443 . "pyrrolidone-carboxylate peptidase [Pyrococcus furiosus]" . . . . . 100.00 208 99.04 99.04 4.52e-143 . . . . 10052 1 14 no SP O73944 . "RecName: Full=Pyrrolidone-carboxylate peptidase; AltName: Full=5-oxoprolyl-peptidase; AltName: Full=Pyroglutamyl-peptidase I; S" . . . . . 100.00 208 99.04 99.04 4.52e-143 . . . . 10052 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 . MET . 10052 1 2 . LYS . 10052 1 3 . VAL . 10052 1 4 . LEU . 10052 1 5 . VAL . 10052 1 6 . THR . 10052 1 7 . GLY . 10052 1 8 . PHE . 10052 1 9 . GLU . 10052 1 10 . PRO . 10052 1 11 . PHE . 10052 1 12 . GLY . 10052 1 13 . GLY . 10052 1 14 . GLU . 10052 1 15 . LYS . 10052 1 16 . ILE . 10052 1 17 . ASN . 10052 1 18 . PRO . 10052 1 19 . THR . 10052 1 20 . GLU . 10052 1 21 . ARG . 10052 1 22 . ILE . 10052 1 23 . ALA . 10052 1 24 . LYS . 10052 1 25 . ASP . 10052 1 26 . LEU . 10052 1 27 . ASP . 10052 1 28 . GLY . 10052 1 29 . ILE . 10052 1 30 . LYS . 10052 1 31 . ILE . 10052 1 32 . GLY . 10052 1 33 . ASP . 10052 1 34 . ALA . 10052 1 35 . GLN . 10052 1 36 . VAL . 10052 1 37 . PHE . 10052 1 38 . GLY . 10052 1 39 . ARG . 10052 1 40 . VAL . 10052 1 41 . LEU . 10052 1 42 . PRO . 10052 1 43 . VAL . 10052 1 44 . VAL . 10052 1 45 . PHE . 10052 1 46 . GLY . 10052 1 47 . LYS . 10052 1 48 . ALA . 10052 1 49 . LYS . 10052 1 50 . GLU . 10052 1 51 . VAL . 10052 1 52 . LEU . 10052 1 53 . GLU . 10052 1 54 . LYS . 10052 1 55 . THR . 10052 1 56 . LEU . 10052 1 57 . GLU . 10052 1 58 . GLU . 10052 1 59 . ILE . 10052 1 60 . LYS . 10052 1 61 . PRO . 10052 1 62 . ASP . 10052 1 63 . ILE . 10052 1 64 . ALA . 10052 1 65 . ILE . 10052 1 66 . HIS . 10052 1 67 . VAL . 10052 1 68 . GLY . 10052 1 69 . LEU . 10052 1 70 . ALA . 10052 1 71 . PRO . 10052 1 72 . GLY . 10052 1 73 . ARG . 10052 1 74 . SER . 10052 1 75 . ALA . 10052 1 76 . ILE . 10052 1 77 . SER . 10052 1 78 . ILE . 10052 1 79 . GLU . 10052 1 80 . ARG . 10052 1 81 . ILE . 10052 1 82 . ALA . 10052 1 83 . VAL . 10052 1 84 . ASN . 10052 1 85 . ALA . 10052 1 86 . ILE . 10052 1 87 . ASP . 10052 1 88 . ALA . 10052 1 89 . ARG . 10052 1 90 . ILE . 10052 1 91 . PRO . 10052 1 92 . ASP . 10052 1 93 . ASN . 10052 1 94 . GLU . 10052 1 95 . GLY . 10052 1 96 . LYS . 10052 1 97 . LYS . 10052 1 98 . ILE . 10052 1 99 . GLU . 10052 1 100 . ASP . 10052 1 101 . GLU . 10052 1 102 . PRO . 10052 1 103 . ILE . 10052 1 104 . VAL . 10052 1 105 . PRO . 10052 1 106 . GLY . 10052 1 107 . ALA . 10052 1 108 . PRO . 10052 1 109 . THR . 10052 1 110 . ALA . 10052 1 111 . TYR . 10052 1 112 . PHE . 10052 1 113 . SER . 10052 1 114 . THR . 10052 1 115 . LEU . 10052 1 116 . PRO . 10052 1 117 . ILE . 10052 1 118 . LYS . 10052 1 119 . LYS . 10052 1 120 . ILE . 10052 1 121 . MET . 10052 1 122 . LYS . 10052 1 123 . LYS . 10052 1 124 . LEU . 10052 1 125 . HIS . 10052 1 126 . GLU . 10052 1 127 . ARG . 10052 1 128 . GLY . 10052 1 129 . ILE . 10052 1 130 . PRO . 10052 1 131 . ALA . 10052 1 132 . TYR . 10052 1 133 . ILE . 10052 1 134 . SER . 10052 1 135 . ASN . 10052 1 136 . SER . 10052 1 137 . ALA . 10052 1 138 . GLY . 10052 1 139 . LEU . 10052 1 140 . TYR . 10052 1 141 . LEU . 10052 1 142 . SER . 10052 1 143 . ASN . 10052 1 144 . TYR . 10052 1 145 . VAL . 10052 1 146 . MET . 10052 1 147 . TYR . 10052 1 148 . LEU . 10052 1 149 . SER . 10052 1 150 . LEU . 10052 1 151 . HIS . 10052 1 152 . HIS . 10052 1 153 . SER . 10052 1 154 . ALA . 10052 1 155 . THR . 10052 1 156 . LYS . 10052 1 157 . GLY . 10052 1 158 . TYR . 10052 1 159 . PRO . 10052 1 160 . LYS . 10052 1 161 . MET . 10052 1 162 . SER . 10052 1 163 . GLY . 10052 1 164 . PHE . 10052 1 165 . ILE . 10052 1 166 . HIS . 10052 1 167 . VAL . 10052 1 168 . PRO . 10052 1 169 . TYR . 10052 1 170 . ILE . 10052 1 171 . PRO . 10052 1 172 . GLU . 10052 1 173 . GLN . 10052 1 174 . ILE . 10052 1 175 . ILE . 10052 1 176 . ASP . 10052 1 177 . LYS . 10052 1 178 . ILE . 10052 1 179 . GLY . 10052 1 180 . LYS . 10052 1 181 . GLY . 10052 1 182 . GLN . 10052 1 183 . VAL . 10052 1 184 . PRO . 10052 1 185 . PRO . 10052 1 186 . SER . 10052 1 187 . MET . 10052 1 188 . SER . 10052 1 189 . TYR . 10052 1 190 . GLU . 10052 1 191 . MET . 10052 1 192 . GLU . 10052 1 193 . LEU . 10052 1 194 . GLU . 10052 1 195 . ALA . 10052 1 196 . VAL . 10052 1 197 . LYS . 10052 1 198 . VAL . 10052 1 199 . ALA . 10052 1 200 . ILE . 10052 1 201 . GLU . 10052 1 202 . VAL . 10052 1 203 . ALA . 10052 1 204 . LEU . 10052 1 205 . GLU . 10052 1 206 . GLU . 10052 1 207 . LEU . 10052 1 208 . LEU . 10052 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 . MET 1 1 10052 1 . LYS 2 2 10052 1 . VAL 3 3 10052 1 . LEU 4 4 10052 1 . VAL 5 5 10052 1 . THR 6 6 10052 1 . GLY 7 7 10052 1 . PHE 8 8 10052 1 . GLU 9 9 10052 1 . PRO 10 10 10052 1 . PHE 11 11 10052 1 . GLY 12 12 10052 1 . GLY 13 13 10052 1 . GLU 14 14 10052 1 . LYS 15 15 10052 1 . ILE 16 16 10052 1 . ASN 17 17 10052 1 . PRO 18 18 10052 1 . THR 19 19 10052 1 . GLU 20 20 10052 1 . ARG 21 21 10052 1 . ILE 22 22 10052 1 . ALA 23 23 10052 1 . LYS 24 24 10052 1 . ASP 25 25 10052 1 . LEU 26 26 10052 1 . ASP 27 27 10052 1 . GLY 28 28 10052 1 . ILE 29 29 10052 1 . LYS 30 30 10052 1 . ILE 31 31 10052 1 . GLY 32 32 10052 1 . ASP 33 33 10052 1 . ALA 34 34 10052 1 . GLN 35 35 10052 1 . VAL 36 36 10052 1 . PHE 37 37 10052 1 . GLY 38 38 10052 1 . ARG 39 39 10052 1 . VAL 40 40 10052 1 . LEU 41 41 10052 1 . PRO 42 42 10052 1 . VAL 43 43 10052 1 . VAL 44 44 10052 1 . PHE 45 45 10052 1 . GLY 46 46 10052 1 . LYS 47 47 10052 1 . ALA 48 48 10052 1 . LYS 49 49 10052 1 . GLU 50 50 10052 1 . VAL 51 51 10052 1 . LEU 52 52 10052 1 . GLU 53 53 10052 1 . LYS 54 54 10052 1 . THR 55 55 10052 1 . LEU 56 56 10052 1 . GLU 57 57 10052 1 . GLU 58 58 10052 1 . ILE 59 59 10052 1 . LYS 60 60 10052 1 . PRO 61 61 10052 1 . ASP 62 62 10052 1 . ILE 63 63 10052 1 . ALA 64 64 10052 1 . ILE 65 65 10052 1 . HIS 66 66 10052 1 . VAL 67 67 10052 1 . GLY 68 68 10052 1 . LEU 69 69 10052 1 . ALA 70 70 10052 1 . PRO 71 71 10052 1 . GLY 72 72 10052 1 . ARG 73 73 10052 1 . SER 74 74 10052 1 . ALA 75 75 10052 1 . ILE 76 76 10052 1 . SER 77 77 10052 1 . ILE 78 78 10052 1 . GLU 79 79 10052 1 . ARG 80 80 10052 1 . ILE 81 81 10052 1 . ALA 82 82 10052 1 . VAL 83 83 10052 1 . ASN 84 84 10052 1 . ALA 85 85 10052 1 . ILE 86 86 10052 1 . ASP 87 87 10052 1 . ALA 88 88 10052 1 . ARG 89 89 10052 1 . ILE 90 90 10052 1 . PRO 91 91 10052 1 . ASP 92 92 10052 1 . ASN 93 93 10052 1 . GLU 94 94 10052 1 . GLY 95 95 10052 1 . LYS 96 96 10052 1 . LYS 97 97 10052 1 . ILE 98 98 10052 1 . GLU 99 99 10052 1 . ASP 100 100 10052 1 . GLU 101 101 10052 1 . PRO 102 102 10052 1 . ILE 103 103 10052 1 . VAL 104 104 10052 1 . PRO 105 105 10052 1 . GLY 106 106 10052 1 . ALA 107 107 10052 1 . PRO 108 108 10052 1 . THR 109 109 10052 1 . ALA 110 110 10052 1 . TYR 111 111 10052 1 . PHE 112 112 10052 1 . SER 113 113 10052 1 . THR 114 114 10052 1 . LEU 115 115 10052 1 . PRO 116 116 10052 1 . ILE 117 117 10052 1 . LYS 118 118 10052 1 . LYS 119 119 10052 1 . ILE 120 120 10052 1 . MET 121 121 10052 1 . LYS 122 122 10052 1 . LYS 123 123 10052 1 . LEU 124 124 10052 1 . HIS 125 125 10052 1 . GLU 126 126 10052 1 . ARG 127 127 10052 1 . GLY 128 128 10052 1 . ILE 129 129 10052 1 . PRO 130 130 10052 1 . ALA 131 131 10052 1 . TYR 132 132 10052 1 . ILE 133 133 10052 1 . SER 134 134 10052 1 . ASN 135 135 10052 1 . SER 136 136 10052 1 . ALA 137 137 10052 1 . GLY 138 138 10052 1 . LEU 139 139 10052 1 . TYR 140 140 10052 1 . LEU 141 141 10052 1 . SER 142 142 10052 1 . ASN 143 143 10052 1 . TYR 144 144 10052 1 . VAL 145 145 10052 1 . MET 146 146 10052 1 . TYR 147 147 10052 1 . LEU 148 148 10052 1 . SER 149 149 10052 1 . LEU 150 150 10052 1 . HIS 151 151 10052 1 . HIS 152 152 10052 1 . SER 153 153 10052 1 . ALA 154 154 10052 1 . THR 155 155 10052 1 . LYS 156 156 10052 1 . GLY 157 157 10052 1 . TYR 158 158 10052 1 . PRO 159 159 10052 1 . LYS 160 160 10052 1 . MET 161 161 10052 1 . SER 162 162 10052 1 . GLY 163 163 10052 1 . PHE 164 164 10052 1 . ILE 165 165 10052 1 . HIS 166 166 10052 1 . VAL 167 167 10052 1 . PRO 168 168 10052 1 . TYR 169 169 10052 1 . ILE 170 170 10052 1 . PRO 171 171 10052 1 . GLU 172 172 10052 1 . GLN 173 173 10052 1 . ILE 174 174 10052 1 . ILE 175 175 10052 1 . ASP 176 176 10052 1 . LYS 177 177 10052 1 . ILE 178 178 10052 1 . GLY 179 179 10052 1 . LYS 180 180 10052 1 . GLY 181 181 10052 1 . GLN 182 182 10052 1 . VAL 183 183 10052 1 . PRO 184 184 10052 1 . PRO 185 185 10052 1 . SER 186 186 10052 1 . MET 187 187 10052 1 . SER 188 188 10052 1 . TYR 189 189 10052 1 . GLU 190 190 10052 1 . MET 191 191 10052 1 . GLU 192 192 10052 1 . LEU 193 193 10052 1 . GLU 194 194 10052 1 . ALA 195 195 10052 1 . VAL 196 196 10052 1 . LYS 197 197 10052 1 . VAL 198 198 10052 1 . ALA 199 199 10052 1 . ILE 200 200 10052 1 . GLU 201 201 10052 1 . VAL 202 202 10052 1 . ALA 203 203 10052 1 . LEU 204 204 10052 1 . GLU 205 205 10052 1 . GLU 206 206 10052 1 . LEU 207 207 10052 1 . LEU 208 208 10052 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 10052 _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 $PCP-0SH . 2261 . no . 'P. furiosus' . . Archaea . Pyrococcus furiosus . . . . . . . . . . . . no . . . . . . . . 10052 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 10052 _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 $PCP-0SH . 'recombinant technology' . 'E. coli' . . Escherichia coli JM109 . . . . . . . . . . . . plasmid . . pPCP3022 . . . . . . 10052 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 10052 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _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 PCP '[U-13C; U-15N]' . . 1 $PCP-0SH . protein 0.4 . . mM . . . . 10052 1 2 Glycine . . . . . . buffer 20 . . mM . . . . 10052 1 stop_ save_ save_sample_2 _Sample.Sf_category sample _Sample.Sf_framecode sample_2 _Sample.Entry_ID 10052 _Sample.ID 2 _Sample.Type solution _Sample.Sub_type . _Sample.Details 'the protein of component is PCP-OSH_Ala199Pro' _Sample.Aggregate_sample_number . _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 PCP [U-15N] . . 1 $PCP-0SH . protein 0.4 . . mM . . . . 10052 2 2 Glycine . . . . . . buffer 20 . . mM . . . . 10052 2 stop_ save_ ####################### # Sample conditions # ####################### save_condition_1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode condition_1 _Sample_condition_list.Entry_ID 10052 _Sample_condition_list.ID 1 _Sample_condition_list.Details . 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 2.5 0.01 pH 10052 1 temperature 303 0.1 K 10052 1 stop_ save_ save_condition_2 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode condition_2 _Sample_condition_list.Entry_ID 10052 _Sample_condition_list.ID 2 _Sample_condition_list.Details . 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 3.0 0.01 pH 10052 2 temperature 298 0.1 K 10052 2 stop_ save_ ############################ # Computer software used # ############################ save_software_1 _Software.Sf_category software _Software.Sf_framecode software_1 _Software.Entry_ID 10052 _Software.ID 1 _Software.Name XWIN-NMR _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID Bruker . . 10052 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID collection 10052 1 stop_ save_ save_software_2 _Software.Sf_category software _Software.Sf_framecode software_2 _Software.Entry_ID 10052 _Software.ID 2 _Software.Name SPARKY _Software.Version 3.110 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'University of California' . . 10052 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'peak assignments' 10052 2 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_1 _NMR_spectrometer.Entry_ID 10052 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model DRX _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 800 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 10052 _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 '1H-15N HSQC' no . . . . . . . . . . 1 $sample_1 . . . 1 $condition_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 10052 1 2 HNCACB no . . . . . . . . . . 1 $sample_1 . . . 1 $condition_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 10052 1 3 HN(CO)CACB no . . . . . . . . . . 1 $sample_1 . . . 1 $condition_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 10052 1 4 HNCO no . . . . . . . . . . 1 $sample_1 . . . 1 $condition_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 10052 1 5 HN(CA)CO no . . . . . . . . . . 1 $sample_1 . . . 1 $condition_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 10052 1 6 HSQC-NOESY-HSQC no . . . . . . . . . . 2 $sample_2 . . . 2 $condition_2 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 10052 1 stop_ save_ save_1H-15N_HSQC _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode 1H-15N_HSQC _NMR_spec_expt.Entry_ID 10052 _NMR_spec_expt.ID 1 _NMR_spec_expt.Name '1H-15N HSQC' _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID 1 _NMR_spec_expt.NMR_spectrometer_label $spectrometer_1 _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_HNCACB _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode HNCACB _NMR_spec_expt.Entry_ID 10052 _NMR_spec_expt.ID 2 _NMR_spec_expt.Name HNCACB _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID 1 _NMR_spec_expt.NMR_spectrometer_label $spectrometer_1 _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_HN(CO)CACB _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode HN(CO)CACB _NMR_spec_expt.Entry_ID 10052 _NMR_spec_expt.ID 3 _NMR_spec_expt.Name HN(CO)CACB _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID 1 _NMR_spec_expt.NMR_spectrometer_label $spectrometer_1 _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_HNCO _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode HNCO _NMR_spec_expt.Entry_ID 10052 _NMR_spec_expt.ID 4 _NMR_spec_expt.Name HNCO _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID 1 _NMR_spec_expt.NMR_spectrometer_label $spectrometer_1 _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_HN(CA)CO _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode HN(CA)CO _NMR_spec_expt.Entry_ID 10052 _NMR_spec_expt.ID 5 _NMR_spec_expt.Name HN(CA)CO _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID 1 _NMR_spec_expt.NMR_spectrometer_label $spectrometer_1 _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_HSQC-NOESY-HSQC _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode HSQC-NOESY-HSQC _NMR_spec_expt.Entry_ID 10052 _NMR_spec_expt.ID 6 _NMR_spec_expt.Name HSQC-NOESY-HSQC _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID 1 _NMR_spec_expt.NMR_spectrometer_label $spectrometer_1 _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_reference_1 _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode reference_1 _Chem_shift_reference.Entry_ID 10052 _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 C 13 DSS 'methyl protons' . . . . ppm 0.0 external indirect 0.251449530 . . . . . . . . . 10052 1 H 1 DSS 'methyl protons' . . . . ppm 0.0 external direct 1.0 . . . . . . . . . 10052 1 N 15 DSS 'methyl protons' . . . . ppm 0.0 external indirect 0.101329118 . . . . . . . . . 10052 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_PCP-0SH_pH2.5_30C _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode PCP-0SH_pH2.5_30C _Assigned_chem_shift_list.Entry_ID 10052 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $condition_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $reference_1 _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 . _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 '1H-15N HSQC' 1 $sample_1 isotropic 10052 1 2 HNCACB 1 $sample_1 isotropic 10052 1 3 HN(CO)CACB 1 $sample_1 isotropic 10052 1 4 HNCO 1 $sample_1 isotropic 10052 1 5 HN(CA)CO 1 $sample_1 isotropic 10052 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 MET C C 13 169.606 0.3 . 1 . . . . 1 MET C . 10052 1 2 . 1 1 1 1 MET CA C 13 54.53 0.3 . 1 . . . . 1 MET CA . 10052 1 3 . 1 1 1 1 MET CB C 13 32.605 0.3 . 1 . . . . 1 MET CB . 10052 1 4 . 1 1 2 2 LYS H H 1 9.77 0.01 . 1 . . . . 2 LYS H . 10052 1 5 . 1 1 2 2 LYS C C 13 172.594 0.3 . 1 . . . . 2 LYS C . 10052 1 6 . 1 1 2 2 LYS CA C 13 55.334 0.3 . 1 . . . . 2 LYS CA . 10052 1 7 . 1 1 2 2 LYS CB C 13 36.681 0.3 . 1 . . . . 2 LYS CB . 10052 1 8 . 1 1 2 2 LYS N N 15 123.618 0.2 . 1 . . . . 2 LYS N . 10052 1 9 . 1 1 3 3 VAL H H 1 9.222 0.01 . 1 . . . . 3 VAL H . 10052 1 10 . 1 1 3 3 VAL C C 13 170.678 0.3 . 1 . . . . 3 VAL C . 10052 1 11 . 1 1 3 3 VAL CA C 13 59.507 0.3 . 1 . . . . 3 VAL CA . 10052 1 12 . 1 1 3 3 VAL CB C 13 34.162 0.3 . 1 . . . . 3 VAL CB . 10052 1 13 . 1 1 3 3 VAL N N 15 123.245 0.2 . 1 . . . . 3 VAL N . 10052 1 14 . 1 1 4 4 LEU H H 1 9.034 0.01 . 1 . . . . 4 LEU H . 10052 1 15 . 1 1 4 4 LEU C C 13 170.654 0.3 . 1 . . . . 4 LEU C . 10052 1 16 . 1 1 4 4 LEU CA C 13 52.253 0.3 . 1 . . . . 4 LEU CA . 10052 1 17 . 1 1 4 4 LEU CB C 13 45.566 0.3 . 1 . . . . 4 LEU CB . 10052 1 18 . 1 1 4 4 LEU N N 15 127.954 0.2 . 1 . . . . 4 LEU N . 10052 1 19 . 1 1 5 5 VAL H H 1 9.338 0.01 . 1 . . . . 5 VAL H . 10052 1 20 . 1 1 5 5 VAL C C 13 173.196 0.3 . 1 . . . . 5 VAL C . 10052 1 21 . 1 1 5 5 VAL CA C 13 58.924 0.3 . 1 . . . . 5 VAL CA . 10052 1 22 . 1 1 5 5 VAL CB C 13 33.707 0.3 . 1 . . . . 5 VAL CB . 10052 1 23 . 1 1 5 5 VAL N N 15 127.178 0.2 . 1 . . . . 5 VAL N . 10052 1 24 . 1 1 6 6 THR H H 1 8.155 0.01 . 1 . . . . 6 THR H . 10052 1 25 . 1 1 6 6 THR C C 13 170.726 0.3 . 1 . . . . 6 THR C . 10052 1 26 . 1 1 6 6 THR CA C 13 57.623 0.3 . 1 . . . . 6 THR CA . 10052 1 27 . 1 1 6 6 THR CB C 13 71.628 0.3 . 1 . . . . 6 THR CB . 10052 1 28 . 1 1 6 6 THR N N 15 112.29 0.2 . 1 . . . . 6 THR N . 10052 1 29 . 1 1 7 7 GLY H H 1 7.5 0.01 . 1 . . . . 7 GLY H . 10052 1 30 . 1 1 7 7 GLY C C 13 169.154 0.3 . 1 . . . . 7 GLY C . 10052 1 31 . 1 1 7 7 GLY CA C 13 42.544 0.3 . 1 . . . . 7 GLY CA . 10052 1 32 . 1 1 7 7 GLY N N 15 107.126 0.2 . 1 . . . . 7 GLY N . 10052 1 33 . 1 1 10 10 PRO C C 13 173.428 0.3 . 1 . . . . 10 PRO C . 10052 1 34 . 1 1 10 10 PRO CA C 13 62.642 0.3 . 1 . . . . 10 PRO CA . 10052 1 35 . 1 1 10 10 PRO CB C 13 31.261 0.3 . 1 . . . . 10 PRO CB . 10052 1 36 . 1 1 11 11 PHE H H 1 7.901 0.01 . 1 . . . . 11 PHE H . 10052 1 37 . 1 1 11 11 PHE C C 13 173.62 0.3 . 1 . . . . 11 PHE C . 10052 1 38 . 1 1 11 11 PHE CA C 13 56.824 0.3 . 1 . . . . 11 PHE CA . 10052 1 39 . 1 1 11 11 PHE CB C 13 40.156 0.3 . 1 . . . . 11 PHE CB . 10052 1 40 . 1 1 11 11 PHE N N 15 119.17 0.2 . 1 . . . . 11 PHE N . 10052 1 41 . 1 1 12 12 GLY H H 1 8.55 0.01 . 1 . . . . 12 GLY H . 10052 1 42 . 1 1 12 12 GLY C C 13 172.541 0.3 . 1 . . . . 12 GLY C . 10052 1 43 . 1 1 12 12 GLY CA C 13 46.165 0.3 . 1 . . . . 12 GLY CA . 10052 1 44 . 1 1 12 12 GLY N N 15 109.694 0.2 . 1 . . . . 12 GLY N . 10052 1 45 . 1 1 13 13 GLY H H 1 8.563 0.01 . 1 . . . . 13 GLY H . 10052 1 46 . 1 1 13 13 GLY C C 13 171.835 0.3 . 1 . . . . 13 GLY C . 10052 1 47 . 1 1 13 13 GLY CA C 13 44.781 0.3 . 1 . . . . 13 GLY CA . 10052 1 48 . 1 1 13 13 GLY N N 15 110.62 0.2 . 1 . . . . 13 GLY N . 10052 1 49 . 1 1 14 14 GLU H H 1 7.651 0.01 . 1 . . . . 14 GLU H . 10052 1 50 . 1 1 14 14 GLU C C 13 176.579 0.3 . 1 . . . . 14 GLU C . 10052 1 51 . 1 1 14 14 GLU CA C 13 54.895 0.3 . 1 . . . . 14 GLU CA . 10052 1 52 . 1 1 14 14 GLU CB C 13 28.456 0.3 . 1 . . . . 14 GLU CB . 10052 1 53 . 1 1 14 14 GLU N N 15 119.149 0.2 . 1 . . . . 14 GLU N . 10052 1 54 . 1 1 15 15 LYS H H 1 8.506 0.01 . 1 . . . . 15 LYS H . 10052 1 55 . 1 1 15 15 LYS C C 13 173.884 0.3 . 1 . . . . 15 LYS C . 10052 1 56 . 1 1 15 15 LYS CA C 13 56.937 0.3 . 1 . . . . 15 LYS CA . 10052 1 57 . 1 1 15 15 LYS CB C 13 32.474 0.3 . 1 . . . . 15 LYS CB . 10052 1 58 . 1 1 15 15 LYS N N 15 121.115 0.2 . 1 . . . . 15 LYS N . 10052 1 59 . 1 1 16 16 ILE H H 1 7.883 0.01 . 1 . . . . 16 ILE H . 10052 1 60 . 1 1 16 16 ILE C C 13 171.836 0.3 . 1 . . . . 16 ILE C . 10052 1 61 . 1 1 16 16 ILE CA C 13 59.409 0.3 . 1 . . . . 16 ILE CA . 10052 1 62 . 1 1 16 16 ILE CB C 13 40.263 0.3 . 1 . . . . 16 ILE CB . 10052 1 63 . 1 1 16 16 ILE N N 15 116.532 0.2 . 1 . . . . 16 ILE N . 10052 1 64 . 1 1 17 17 ASN H H 1 8.624 0.01 . 1 . . . . 17 ASN H . 10052 1 65 . 1 1 17 17 ASN CA C 13 50.177 0.3 . 1 . . . . 17 ASN CA . 10052 1 66 . 1 1 17 17 ASN CB C 13 40.214 0.3 . 1 . . . . 17 ASN CB . 10052 1 67 . 1 1 17 17 ASN N N 15 120.498 0.2 . 1 . . . . 17 ASN N . 10052 1 68 . 1 1 18 18 PRO C C 13 174.997 0.3 . 1 . . . . 18 PRO C . 10052 1 69 . 1 1 18 18 PRO CA C 13 64.726 0.3 . 1 . . . . 18 PRO CA . 10052 1 70 . 1 1 18 18 PRO CB C 13 32.291 0.3 . 1 . . . . 18 PRO CB . 10052 1 71 . 1 1 19 19 THR H H 1 8.562 0.01 . 1 . . . . 19 THR H . 10052 1 72 . 1 1 19 19 THR C C 13 173.311 0.3 . 1 . . . . 19 THR C . 10052 1 73 . 1 1 19 19 THR CA C 13 65.1 0.3 . 1 . . . . 19 THR CA . 10052 1 74 . 1 1 19 19 THR CB C 13 67.125 0.3 . 1 . . . . 19 THR CB . 10052 1 75 . 1 1 19 19 THR N N 15 107.724 0.2 . 1 . . . . 19 THR N . 10052 1 76 . 1 1 20 20 GLU H H 1 7.281 0.01 . 1 . . . . 20 GLU H . 10052 1 77 . 1 1 20 20 GLU C C 13 174.037 0.3 . 1 . . . . 20 GLU C . 10052 1 78 . 1 1 20 20 GLU CA C 13 58.323 0.3 . 1 . . . . 20 GLU CA . 10052 1 79 . 1 1 20 20 GLU CB C 13 26.631 0.3 . 1 . . . . 20 GLU CB . 10052 1 80 . 1 1 20 20 GLU N N 15 124.609 0.2 . 1 . . . . 20 GLU N . 10052 1 81 . 1 1 21 21 ARG H H 1 6.834 0.01 . 1 . . . . 21 ARG H . 10052 1 82 . 1 1 21 21 ARG C C 13 175.002 0.3 . 1 . . . . 21 ARG C . 10052 1 83 . 1 1 21 21 ARG CA C 13 58.818 0.3 . 1 . . . . 21 ARG CA . 10052 1 84 . 1 1 21 21 ARG CB C 13 29.201 0.3 . 1 . . . . 21 ARG CB . 10052 1 85 . 1 1 21 21 ARG N N 15 118.75 0.2 . 1 . . . . 21 ARG N . 10052 1 86 . 1 1 22 22 ILE H H 1 8.17 0.01 . 1 . . . . 22 ILE H . 10052 1 87 . 1 1 22 22 ILE C C 13 172.647 0.3 . 1 . . . . 22 ILE C . 10052 1 88 . 1 1 22 22 ILE CA C 13 65.052 0.3 . 1 . . . . 22 ILE CA . 10052 1 89 . 1 1 22 22 ILE CB C 13 38.088 0.3 . 1 . . . . 22 ILE CB . 10052 1 90 . 1 1 22 22 ILE N N 15 119.811 0.2 . 1 . . . . 22 ILE N . 10052 1 91 . 1 1 23 23 ALA H H 1 7.155 0.01 . 1 . . . . 23 ALA H . 10052 1 92 . 1 1 23 23 ALA C C 13 176.081 0.3 . 1 . . . . 23 ALA C . 10052 1 93 . 1 1 23 23 ALA CA C 13 55.06 0.3 . 1 . . . . 23 ALA CA . 10052 1 94 . 1 1 23 23 ALA CB C 13 16.957 0.3 . 1 . . . . 23 ALA CB . 10052 1 95 . 1 1 23 23 ALA N N 15 118.638 0.2 . 1 . . . . 23 ALA N . 10052 1 96 . 1 1 24 24 LYS H H 1 7.549 0.01 . 1 . . . . 24 LYS H . 10052 1 97 . 1 1 24 24 LYS C C 13 176.698 0.3 . 1 . . . . 24 LYS C . 10052 1 98 . 1 1 24 24 LYS CA C 13 58.487 0.3 . 1 . . . . 24 LYS CA . 10052 1 99 . 1 1 24 24 LYS CB C 13 31.182 0.3 . 1 . . . . 24 LYS CB . 10052 1 100 . 1 1 24 24 LYS N N 15 114.192 0.2 . 1 . . . . 24 LYS N . 10052 1 101 . 1 1 25 25 ASP H H 1 8.739 0.01 . 1 . . . . 25 ASP H . 10052 1 102 . 1 1 25 25 ASP C C 13 175.514 0.3 . 1 . . . . 25 ASP C . 10052 1 103 . 1 1 25 25 ASP CA C 13 55.896 0.3 . 1 . . . . 25 ASP CA . 10052 1 104 . 1 1 25 25 ASP CB C 13 39.349 0.3 . 1 . . . . 25 ASP CB . 10052 1 105 . 1 1 25 25 ASP N N 15 119.2 0.2 . 1 . . . . 25 ASP N . 10052 1 106 . 1 1 26 26 LEU H H 1 7.553 0.01 . 1 . . . . 26 LEU H . 10052 1 107 . 1 1 26 26 LEU C C 13 173.003 0.3 . 1 . . . . 26 LEU C . 10052 1 108 . 1 1 26 26 LEU CA C 13 53.843 0.3 . 1 . . . . 26 LEU CA . 10052 1 109 . 1 1 26 26 LEU CB C 13 40.99 0.3 . 1 . . . . 26 LEU CB . 10052 1 110 . 1 1 26 26 LEU N N 15 116.782 0.2 . 1 . . . . 26 LEU N . 10052 1 111 . 1 1 27 27 ASP H H 1 6.999 0.01 . 1 . . . . 27 ASP H . 10052 1 112 . 1 1 27 27 ASP C C 13 173.932 0.3 . 1 . . . . 27 ASP C . 10052 1 113 . 1 1 27 27 ASP CA C 13 56.498 0.3 . 1 . . . . 27 ASP CA . 10052 1 114 . 1 1 27 27 ASP CB C 13 40.421 0.3 . 1 . . . . 27 ASP CB . 10052 1 115 . 1 1 27 27 ASP N N 15 116.669 0.2 . 1 . . . . 27 ASP N . 10052 1 116 . 1 1 28 28 GLY H H 1 8.512 0.01 . 1 . . . . 28 GLY H . 10052 1 117 . 1 1 28 28 GLY C C 13 172.252 0.3 . 1 . . . . 28 GLY C . 10052 1 118 . 1 1 28 28 GLY CA C 13 45.098 0.3 . 1 . . . . 28 GLY CA . 10052 1 119 . 1 1 28 28 GLY N N 15 115.006 0.2 . 1 . . . . 28 GLY N . 10052 1 120 . 1 1 29 29 ILE H H 1 7.254 0.01 . 1 . . . . 29 ILE H . 10052 1 121 . 1 1 29 29 ILE C C 13 171.233 0.3 . 1 . . . . 29 ILE C . 10052 1 122 . 1 1 29 29 ILE CA C 13 60.245 0.3 . 1 . . . . 29 ILE CA . 10052 1 123 . 1 1 29 29 ILE CB C 13 38.072 0.3 . 1 . . . . 29 ILE CB . 10052 1 124 . 1 1 29 29 ILE N N 15 117.083 0.2 . 1 . . . . 29 ILE N . 10052 1 125 . 1 1 30 30 LYS H H 1 7.996 0.01 . 1 . . . . 30 LYS H . 10052 1 126 . 1 1 30 30 LYS C C 13 174.186 0.3 . 1 . . . . 30 LYS C . 10052 1 127 . 1 1 30 30 LYS CA C 13 54.257 0.3 . 1 . . . . 30 LYS CA . 10052 1 128 . 1 1 30 30 LYS CB C 13 33.423 0.3 . 1 . . . . 30 LYS CB . 10052 1 129 . 1 1 30 30 LYS N N 15 119.906 0.2 . 1 . . . . 30 LYS N . 10052 1 130 . 1 1 31 31 ILE H H 1 8.044 0.01 . 1 . . . . 31 ILE H . 10052 1 131 . 1 1 31 31 ILE C C 13 173.073 0.3 . 1 . . . . 31 ILE C . 10052 1 132 . 1 1 31 31 ILE CA C 13 59.955 0.3 . 1 . . . . 31 ILE CA . 10052 1 133 . 1 1 31 31 ILE CB C 13 39.006 0.3 . 1 . . . . 31 ILE CB . 10052 1 134 . 1 1 31 31 ILE N N 15 123.946 0.2 . 1 . . . . 31 ILE N . 10052 1 135 . 1 1 32 32 GLY H H 1 8.741 0.01 . 1 . . . . 32 GLY H . 10052 1 136 . 1 1 32 32 GLY C C 13 172.095 0.3 . 1 . . . . 32 GLY C . 10052 1 137 . 1 1 32 32 GLY CA C 13 46.578 0.3 . 1 . . . . 32 GLY CA . 10052 1 138 . 1 1 32 32 GLY N N 15 116.503 0.2 . 1 . . . . 32 GLY N . 10052 1 139 . 1 1 33 33 ASP H H 1 8.563 0.01 . 1 . . . . 33 ASP H . 10052 1 140 . 1 1 33 33 ASP C C 13 172.041 0.3 . 1 . . . . 33 ASP C . 10052 1 141 . 1 1 33 33 ASP CA C 13 52.448 0.3 . 1 . . . . 33 ASP CA . 10052 1 142 . 1 1 33 33 ASP CB C 13 37.611 0.3 . 1 . . . . 33 ASP CB . 10052 1 143 . 1 1 33 33 ASP N N 15 122.621 0.2 . 1 . . . . 33 ASP N . 10052 1 144 . 1 1 34 34 ALA H H 1 8.382 0.01 . 1 . . . . 34 ALA H . 10052 1 145 . 1 1 34 34 ALA C C 13 173.141 0.3 . 1 . . . . 34 ALA C . 10052 1 146 . 1 1 34 34 ALA CA C 13 50.677 0.3 . 1 . . . . 34 ALA CA . 10052 1 147 . 1 1 34 34 ALA CB C 13 20.891 0.3 . 1 . . . . 34 ALA CB . 10052 1 148 . 1 1 34 34 ALA N N 15 123.731 0.2 . 1 . . . . 34 ALA N . 10052 1 149 . 1 1 35 35 GLN H H 1 7.873 0.01 . 1 . . . . 35 GLN H . 10052 1 150 . 1 1 35 35 GLN C C 13 171.649 0.3 . 1 . . . . 35 GLN C . 10052 1 151 . 1 1 35 35 GLN CA C 13 54.799 0.3 . 1 . . . . 35 GLN CA . 10052 1 152 . 1 1 35 35 GLN CB C 13 30.44 0.3 . 1 . . . . 35 GLN CB . 10052 1 153 . 1 1 35 35 GLN N N 15 120.381 0.2 . 1 . . . . 35 GLN N . 10052 1 154 . 1 1 36 36 VAL H H 1 8.373 0.01 . 1 . . . . 36 VAL H . 10052 1 155 . 1 1 36 36 VAL C C 13 172.004 0.3 . 1 . . . . 36 VAL C . 10052 1 156 . 1 1 36 36 VAL CA C 13 61.121 0.3 . 1 . . . . 36 VAL CA . 10052 1 157 . 1 1 36 36 VAL CB C 13 30.691 0.3 . 1 . . . . 36 VAL CB . 10052 1 158 . 1 1 36 36 VAL N N 15 124.589 0.2 . 1 . . . . 36 VAL N . 10052 1 159 . 1 1 37 37 PHE H H 1 9.385 0.01 . 1 . . . . 37 PHE H . 10052 1 160 . 1 1 37 37 PHE C C 13 171.32 0.3 . 1 . . . . 37 PHE C . 10052 1 161 . 1 1 37 37 PHE CA C 13 55.694 0.3 . 1 . . . . 37 PHE CA . 10052 1 162 . 1 1 37 37 PHE CB C 13 41.018 0.3 . 1 . . . . 37 PHE CB . 10052 1 163 . 1 1 37 37 PHE N N 15 127.276 0.2 . 1 . . . . 37 PHE N . 10052 1 164 . 1 1 38 38 GLY H H 1 9.592 0.01 . 1 . . . . 38 GLY H . 10052 1 165 . 1 1 38 38 GLY C C 13 172.023 0.3 . 1 . . . . 38 GLY C . 10052 1 166 . 1 1 38 38 GLY CA C 13 43.441 0.3 . 1 . . . . 38 GLY CA . 10052 1 167 . 1 1 38 38 GLY N N 15 111.376 0.2 . 1 . . . . 38 GLY N . 10052 1 168 . 1 1 39 39 ARG H H 1 8.643 0.01 . 1 . . . . 39 ARG H . 10052 1 169 . 1 1 39 39 ARG C C 13 170.999 0.3 . 1 . . . . 39 ARG C . 10052 1 170 . 1 1 39 39 ARG CA C 13 51.927 0.3 . 1 . . . . 39 ARG CA . 10052 1 171 . 1 1 39 39 ARG CB C 13 33.374 0.3 . 1 . . . . 39 ARG CB . 10052 1 172 . 1 1 39 39 ARG N N 15 124.298 0.2 . 1 . . . . 39 ARG N . 10052 1 173 . 1 1 40 40 VAL H H 1 8.558 0.01 . 1 . . . . 40 VAL H . 10052 1 174 . 1 1 40 40 VAL C C 13 172.346 0.3 . 1 . . . . 40 VAL C . 10052 1 175 . 1 1 40 40 VAL CA C 13 60.775 0.3 . 1 . . . . 40 VAL CA . 10052 1 176 . 1 1 40 40 VAL CB C 13 32.131 0.3 . 1 . . . . 40 VAL CB . 10052 1 177 . 1 1 40 40 VAL N N 15 120.566 0.2 . 1 . . . . 40 VAL N . 10052 1 178 . 1 1 41 41 LEU H H 1 9.044 0.01 . 1 . . . . 41 LEU H . 10052 1 179 . 1 1 41 41 LEU C C 13 171.202 0.3 . 1 . . . . 41 LEU C . 10052 1 180 . 1 1 41 41 LEU CA C 13 51.34 0.3 . 1 . . . . 41 LEU CA . 10052 1 181 . 1 1 41 41 LEU CB C 13 41.576 0.3 . 1 . . . . 41 LEU CB . 10052 1 182 . 1 1 41 41 LEU N N 15 126.663 0.2 . 1 . . . . 41 LEU N . 10052 1 183 . 1 1 42 42 PRO C C 13 171.769 0.3 . 1 . . . . 42 PRO C . 10052 1 184 . 1 1 42 42 PRO CA C 13 61.567 0.3 . 1 . . . . 42 PRO CA . 10052 1 185 . 1 1 42 42 PRO CB C 13 32.334 0.3 . 1 . . . . 42 PRO CB . 10052 1 186 . 1 1 43 43 VAL H H 1 7.647 0.01 . 1 . . . . 43 VAL H . 10052 1 187 . 1 1 43 43 VAL C C 13 172.863 0.3 . 1 . . . . 43 VAL C . 10052 1 188 . 1 1 43 43 VAL CA C 13 60.103 0.3 . 1 . . . . 43 VAL CA . 10052 1 189 . 1 1 43 43 VAL CB C 13 29.704 0.3 . 1 . . . . 43 VAL CB . 10052 1 190 . 1 1 43 43 VAL N N 15 104.993 0.2 . 1 . . . . 43 VAL N . 10052 1 191 . 1 1 44 44 VAL H H 1 6.613 0.01 . 1 . . . . 44 VAL H . 10052 1 192 . 1 1 44 44 VAL C C 13 174.926 0.3 . 1 . . . . 44 VAL C . 10052 1 193 . 1 1 44 44 VAL CA C 13 60.244 0.3 . 1 . . . . 44 VAL CA . 10052 1 194 . 1 1 44 44 VAL CB C 13 32.645 0.3 . 1 . . . . 44 VAL CB . 10052 1 195 . 1 1 44 44 VAL N N 15 118.456 0.2 . 1 . . . . 44 VAL N . 10052 1 196 . 1 1 45 45 PHE H H 1 8.428 0.01 . 1 . . . . 45 PHE H . 10052 1 197 . 1 1 45 45 PHE C C 13 174.865 0.3 . 1 . . . . 45 PHE C . 10052 1 198 . 1 1 45 45 PHE CA C 13 61.803 0.3 . 1 . . . . 45 PHE CA . 10052 1 199 . 1 1 45 45 PHE CB C 13 37.284 0.3 . 1 . . . . 45 PHE CB . 10052 1 200 . 1 1 45 45 PHE N N 15 126.09 0.2 . 1 . . . . 45 PHE N . 10052 1 201 . 1 1 46 46 GLY H H 1 8.814 0.01 . 1 . . . . 46 GLY H . 10052 1 202 . 1 1 46 46 GLY C C 13 174.412 0.3 . 1 . . . . 46 GLY C . 10052 1 203 . 1 1 46 46 GLY CA C 13 47.09 0.3 . 1 . . . . 46 GLY CA . 10052 1 204 . 1 1 46 46 GLY N N 15 106.048 0.2 . 1 . . . . 46 GLY N . 10052 1 205 . 1 1 47 47 LYS H H 1 6.993 0.01 . 1 . . . . 47 LYS H . 10052 1 206 . 1 1 47 47 LYS C C 13 175.329 0.3 . 1 . . . . 47 LYS C . 10052 1 207 . 1 1 47 47 LYS CA C 13 57.362 0.3 . 1 . . . . 47 LYS CA . 10052 1 208 . 1 1 47 47 LYS CB C 13 31.562 0.3 . 1 . . . . 47 LYS CB . 10052 1 209 . 1 1 47 47 LYS N N 15 119.542 0.2 . 1 . . . . 47 LYS N . 10052 1 210 . 1 1 48 48 ALA H H 1 8.672 0.01 . 1 . . . . 48 ALA H . 10052 1 211 . 1 1 48 48 ALA C C 13 176.603 0.3 . 1 . . . . 48 ALA C . 10052 1 212 . 1 1 48 48 ALA CA C 13 55.977 0.3 . 1 . . . . 48 ALA CA . 10052 1 213 . 1 1 48 48 ALA CB C 13 16.151 0.3 . 1 . . . . 48 ALA CB . 10052 1 214 . 1 1 48 48 ALA N N 15 122.111 0.2 . 1 . . . . 48 ALA N . 10052 1 215 . 1 1 49 49 LYS H H 1 8.284 0.01 . 1 . . . . 49 LYS H . 10052 1 216 . 1 1 49 49 LYS C C 13 174.824 0.3 . 1 . . . . 49 LYS C . 10052 1 217 . 1 1 49 49 LYS CA C 13 59.879 0.3 . 1 . . . . 49 LYS CA . 10052 1 218 . 1 1 49 49 LYS CB C 13 31.042 0.3 . 1 . . . . 49 LYS CB . 10052 1 219 . 1 1 49 49 LYS N N 15 116.05 0.2 . 1 . . . . 49 LYS N . 10052 1 220 . 1 1 50 50 GLU H H 1 7.447 0.01 . 1 . . . . 50 GLU H . 10052 1 221 . 1 1 50 50 GLU C C 13 176.422 0.3 . 1 . . . . 50 GLU C . 10052 1 222 . 1 1 50 50 GLU CA C 13 58.655 0.3 . 1 . . . . 50 GLU CA . 10052 1 223 . 1 1 50 50 GLU CB C 13 27.578 0.3 . 1 . . . . 50 GLU CB . 10052 1 224 . 1 1 50 50 GLU N N 15 117.082 0.2 . 1 . . . . 50 GLU N . 10052 1 225 . 1 1 51 51 VAL H H 1 8.595 0.01 . 1 . . . . 51 VAL H . 10052 1 226 . 1 1 51 51 VAL C C 13 177.096 0.3 . 1 . . . . 51 VAL C . 10052 1 227 . 1 1 51 51 VAL CA C 13 65.892 0.3 . 1 . . . . 51 VAL CA . 10052 1 228 . 1 1 51 51 VAL CB C 13 31.294 0.3 . 1 . . . . 51 VAL CB . 10052 1 229 . 1 1 51 51 VAL N N 15 118.488 0.2 . 1 . . . . 51 VAL N . 10052 1 230 . 1 1 52 52 LEU H H 1 8.904 0.01 . 1 . . . . 52 LEU H . 10052 1 231 . 1 1 52 52 LEU C C 13 175.188 0.3 . 1 . . . . 52 LEU C . 10052 1 232 . 1 1 52 52 LEU CA C 13 58.565 0.3 . 1 . . . . 52 LEU CA . 10052 1 233 . 1 1 52 52 LEU CB C 13 40.874 0.3 . 1 . . . . 52 LEU CB . 10052 1 234 . 1 1 52 52 LEU N N 15 123.6 0.2 . 1 . . . . 52 LEU N . 10052 1 235 . 1 1 53 53 GLU H H 1 8.464 0.01 . 1 . . . . 53 GLU H . 10052 1 236 . 1 1 53 53 GLU C C 13 175.843 0.3 . 1 . . . . 53 GLU C . 10052 1 237 . 1 1 53 53 GLU CA C 13 58.822 0.3 . 1 . . . . 53 GLU CA . 10052 1 238 . 1 1 53 53 GLU CB C 13 26.706 0.3 . 1 . . . . 53 GLU CB . 10052 1 239 . 1 1 53 53 GLU N N 15 116.142 0.2 . 1 . . . . 53 GLU N . 10052 1 240 . 1 1 54 54 LYS H H 1 7.857 0.01 . 1 . . . . 54 LYS H . 10052 1 241 . 1 1 54 54 LYS C C 13 176.217 0.3 . 1 . . . . 54 LYS C . 10052 1 242 . 1 1 54 54 LYS CA C 13 58.872 0.3 . 1 . . . . 54 LYS CA . 10052 1 243 . 1 1 54 54 LYS CB C 13 31.467 0.3 . 1 . . . . 54 LYS CB . 10052 1 244 . 1 1 54 54 LYS N N 15 118.335 0.2 . 1 . . . . 54 LYS N . 10052 1 245 . 1 1 55 55 THR H H 1 8.242 0.01 . 1 . . . . 55 THR H . 10052 1 246 . 1 1 55 55 THR C C 13 173.938 0.3 . 1 . . . . 55 THR C . 10052 1 247 . 1 1 55 55 THR CA C 13 66.656 0.3 . 1 . . . . 55 THR CA . 10052 1 248 . 1 1 55 55 THR CB C 13 67.726 0.3 . 1 . . . . 55 THR CB . 10052 1 249 . 1 1 55 55 THR N N 15 115.188 0.2 . 1 . . . . 55 THR N . 10052 1 250 . 1 1 56 56 LEU H H 1 8.381 0.01 . 1 . . . . 56 LEU H . 10052 1 251 . 1 1 56 56 LEU C C 13 176.283 0.3 . 1 . . . . 56 LEU C . 10052 1 252 . 1 1 56 56 LEU CA C 13 57.896 0.3 . 1 . . . . 56 LEU CA . 10052 1 253 . 1 1 56 56 LEU CB C 13 40.55 0.3 . 1 . . . . 56 LEU CB . 10052 1 254 . 1 1 56 56 LEU N N 15 119.303 0.2 . 1 . . . . 56 LEU N . 10052 1 255 . 1 1 57 57 GLU H H 1 7.767 0.01 . 1 . . . . 57 GLU H . 10052 1 256 . 1 1 57 57 GLU C C 13 174.317 0.3 . 1 . . . . 57 GLU C . 10052 1 257 . 1 1 57 57 GLU CA C 13 57.836 0.3 . 1 . . . . 57 GLU CA . 10052 1 258 . 1 1 57 57 GLU CB C 13 27.688 0.3 . 1 . . . . 57 GLU CB . 10052 1 259 . 1 1 57 57 GLU N N 15 116.801 0.2 . 1 . . . . 57 GLU N . 10052 1 260 . 1 1 58 58 GLU H H 1 8.044 0.01 . 1 . . . . 58 GLU H . 10052 1 261 . 1 1 58 58 GLU C C 13 175.168 0.3 . 1 . . . . 58 GLU C . 10052 1 262 . 1 1 58 58 GLU CA C 13 57.53 0.3 . 1 . . . . 58 GLU CA . 10052 1 263 . 1 1 58 58 GLU CB C 13 28.171 0.3 . 1 . . . . 58 GLU CB . 10052 1 264 . 1 1 58 58 GLU N N 15 117.025 0.2 . 1 . . . . 58 GLU N . 10052 1 265 . 1 1 59 59 ILE H H 1 7.724 0.01 . 1 . . . . 59 ILE H . 10052 1 266 . 1 1 59 59 ILE C C 13 171.969 0.3 . 1 . . . . 59 ILE C . 10052 1 267 . 1 1 59 59 ILE CA C 13 61.876 0.3 . 1 . . . . 59 ILE CA . 10052 1 268 . 1 1 59 59 ILE CB C 13 38.514 0.3 . 1 . . . . 59 ILE CB . 10052 1 269 . 1 1 59 59 ILE N N 15 116.533 0.2 . 1 . . . . 59 ILE N . 10052 1 270 . 1 1 60 60 LYS H H 1 7.687 0.01 . 1 . . . . 60 LYS H . 10052 1 271 . 1 1 60 60 LYS C C 13 170.968 0.3 . 1 . . . . 60 LYS C . 10052 1 272 . 1 1 60 60 LYS CA C 13 55.84 0.3 . 1 . . . . 60 LYS CA . 10052 1 273 . 1 1 60 60 LYS CB C 13 29.029 0.3 . 1 . . . . 60 LYS CB . 10052 1 274 . 1 1 60 60 LYS N N 15 112.949 0.2 . 1 . . . . 60 LYS N . 10052 1 275 . 1 1 61 61 PRO C C 13 172.048 0.3 . 1 . . . . 61 PRO C . 10052 1 276 . 1 1 61 61 PRO CA C 13 62.144 0.3 . 1 . . . . 61 PRO CA . 10052 1 277 . 1 1 61 61 PRO CB C 13 30.784 0.3 . 1 . . . . 61 PRO CB . 10052 1 278 . 1 1 62 62 ASP H H 1 8.468 0.01 . 1 . . . . 62 ASP H . 10052 1 279 . 1 1 62 62 ASP C C 13 173.962 0.3 . 1 . . . . 62 ASP C . 10052 1 280 . 1 1 62 62 ASP CA C 13 56.353 0.3 . 1 . . . . 62 ASP CA . 10052 1 281 . 1 1 62 62 ASP CB C 13 42.923 0.3 . 1 . . . . 62 ASP CB . 10052 1 282 . 1 1 62 62 ASP N N 15 116.972 0.2 . 1 . . . . 62 ASP N . 10052 1 283 . 1 1 63 63 ILE H H 1 7.454 0.01 . 1 . . . . 63 ILE H . 10052 1 284 . 1 1 63 63 ILE C C 13 170.733 0.3 . 1 . . . . 63 ILE C . 10052 1 285 . 1 1 63 63 ILE CA C 13 58.757 0.3 . 1 . . . . 63 ILE CA . 10052 1 286 . 1 1 63 63 ILE CB C 13 42.183 0.3 . 1 . . . . 63 ILE CB . 10052 1 287 . 1 1 63 63 ILE N N 15 115.824 0.2 . 1 . . . . 63 ILE N . 10052 1 288 . 1 1 64 64 ALA H H 1 8.692 0.01 . 1 . . . . 64 ALA H . 10052 1 289 . 1 1 64 64 ALA C C 13 170.919 0.3 . 1 . . . . 64 ALA C . 10052 1 290 . 1 1 64 64 ALA CA C 13 49.588 0.3 . 1 . . . . 64 ALA CA . 10052 1 291 . 1 1 64 64 ALA CB C 13 21.069 0.3 . 1 . . . . 64 ALA CB . 10052 1 292 . 1 1 64 64 ALA N N 15 129.545 0.2 . 1 . . . . 64 ALA N . 10052 1 293 . 1 1 65 65 ILE H H 1 8.681 0.01 . 1 . . . . 65 ILE H . 10052 1 294 . 1 1 65 65 ILE C C 13 169.831 0.3 . 1 . . . . 65 ILE C . 10052 1 295 . 1 1 65 65 ILE CA C 13 59.215 0.3 . 1 . . . . 65 ILE CA . 10052 1 296 . 1 1 65 65 ILE CB C 13 38.971 0.3 . 1 . . . . 65 ILE CB . 10052 1 297 . 1 1 65 65 ILE N N 15 120.851 0.2 . 1 . . . . 65 ILE N . 10052 1 298 . 1 1 66 66 HIS H H 1 7.903 0.01 . 1 . . . . 66 HIS H . 10052 1 299 . 1 1 66 66 HIS C C 13 169.603 0.3 . 1 . . . . 66 HIS C . 10052 1 300 . 1 1 66 66 HIS CA C 13 53.622 0.3 . 1 . . . . 66 HIS CA . 10052 1 301 . 1 1 66 66 HIS CB C 13 30.102 0.3 . 1 . . . . 66 HIS CB . 10052 1 302 . 1 1 66 66 HIS N N 15 126.619 0.2 . 1 . . . . 66 HIS N . 10052 1 303 . 1 1 71 71 PRO C C 13 173.709 0.3 . 1 . . . . 71 PRO C . 10052 1 304 . 1 1 71 71 PRO CA C 13 55.669 0.3 . 1 . . . . 71 PRO CA . 10052 1 305 . 1 1 71 71 PRO CB C 13 27.689 0.3 . 1 . . . . 71 PRO CB . 10052 1 306 . 1 1 72 72 GLY H H 1 8.213 0.01 . 1 . . . . 72 GLY H . 10052 1 307 . 1 1 72 72 GLY C C 13 171.393 0.3 . 1 . . . . 72 GLY C . 10052 1 308 . 1 1 72 72 GLY CA C 13 45.206 0.3 . 1 . . . . 72 GLY CA . 10052 1 309 . 1 1 72 72 GLY N N 15 108.948 0.2 . 1 . . . . 72 GLY N . 10052 1 310 . 1 1 73 73 ARG H H 1 7.644 0.01 . 1 . . . . 73 ARG H . 10052 1 311 . 1 1 73 73 ARG C C 13 173.98 0.3 . 1 . . . . 73 ARG C . 10052 1 312 . 1 1 73 73 ARG CA C 13 55.595 0.3 . 1 . . . . 73 ARG CA . 10052 1 313 . 1 1 73 73 ARG CB C 13 30.229 0.3 . 1 . . . . 73 ARG CB . 10052 1 314 . 1 1 73 73 ARG N N 15 118.623 0.2 . 1 . . . . 73 ARG N . 10052 1 315 . 1 1 74 74 SER H H 1 8.677 0.01 . 1 . . . . 74 SER H . 10052 1 316 . 1 1 74 74 SER C C 13 169.93 0.3 . 1 . . . . 74 SER C . 10052 1 317 . 1 1 74 74 SER CA C 13 57.645 0.3 . 1 . . . . 74 SER CA . 10052 1 318 . 1 1 74 74 SER CB C 13 63.617 0.3 . 1 . . . . 74 SER CB . 10052 1 319 . 1 1 74 74 SER N N 15 114.21 0.2 . 1 . . . . 74 SER N . 10052 1 320 . 1 1 75 75 ALA H H 1 7.477 0.01 . 1 . . . . 75 ALA H . 10052 1 321 . 1 1 75 75 ALA C C 13 173.203 0.3 . 1 . . . . 75 ALA C . 10052 1 322 . 1 1 75 75 ALA CA C 13 50.006 0.3 . 1 . . . . 75 ALA CA . 10052 1 323 . 1 1 75 75 ALA CB C 13 21.442 0.3 . 1 . . . . 75 ALA CB . 10052 1 324 . 1 1 75 75 ALA N N 15 122.915 0.2 . 1 . . . . 75 ALA N . 10052 1 325 . 1 1 76 76 ILE H H 1 7.944 0.01 . 1 . . . . 76 ILE H . 10052 1 326 . 1 1 76 76 ILE C C 13 171.962 0.3 . 1 . . . . 76 ILE C . 10052 1 327 . 1 1 76 76 ILE CA C 13 59.753 0.3 . 1 . . . . 76 ILE CA . 10052 1 328 . 1 1 76 76 ILE CB C 13 36.282 0.3 . 1 . . . . 76 ILE CB . 10052 1 329 . 1 1 76 76 ILE N N 15 120.226 0.2 . 1 . . . . 76 ILE N . 10052 1 330 . 1 1 77 77 SER H H 1 8.482 0.01 . 1 . . . . 77 SER H . 10052 1 331 . 1 1 77 77 SER C C 13 170.814 0.3 . 1 . . . . 77 SER C . 10052 1 332 . 1 1 77 77 SER CA C 13 54.854 0.3 . 1 . . . . 77 SER CA . 10052 1 333 . 1 1 77 77 SER CB C 13 64.796 0.3 . 1 . . . . 77 SER CB . 10052 1 334 . 1 1 77 77 SER N N 15 118.147 0.2 . 1 . . . . 77 SER N . 10052 1 335 . 1 1 78 78 ILE C C 13 171.585 0.3 . 1 . . . . 78 ILE C . 10052 1 336 . 1 1 78 78 ILE CA C 13 59.864 0.3 . 1 . . . . 78 ILE CA . 10052 1 337 . 1 1 78 78 ILE CB C 13 38.681 0.3 . 1 . . . . 78 ILE CB . 10052 1 338 . 1 1 79 79 GLU H H 1 8.117 0.01 . 1 . . . . 79 GLU H . 10052 1 339 . 1 1 79 79 GLU C C 13 174.283 0.3 . 1 . . . . 79 GLU C . 10052 1 340 . 1 1 79 79 GLU CA C 13 55.748 0.3 . 1 . . . . 79 GLU CA . 10052 1 341 . 1 1 79 79 GLU CB C 13 30.272 0.3 . 1 . . . . 79 GLU CB . 10052 1 342 . 1 1 79 79 GLU N N 15 125.477 0.2 . 1 . . . . 79 GLU N . 10052 1 343 . 1 1 80 80 ARG H H 1 8.925 0.01 . 1 . . . . 80 ARG H . 10052 1 344 . 1 1 80 80 ARG CA C 13 59.012 0.3 . 1 . . . . 80 ARG CA . 10052 1 345 . 1 1 80 80 ARG CB C 13 32.065 0.3 . 1 . . . . 80 ARG CB . 10052 1 346 . 1 1 80 80 ARG N N 15 124.981 0.2 . 1 . . . . 80 ARG N . 10052 1 347 . 1 1 81 81 ILE C C 13 169.96 0.3 . 1 . . . . 81 ILE C . 10052 1 348 . 1 1 81 81 ILE CA C 13 59.789 0.3 . 1 . . . . 81 ILE CA . 10052 1 349 . 1 1 81 81 ILE CB C 13 42.691 0.3 . 1 . . . . 81 ILE CB . 10052 1 350 . 1 1 82 82 ALA H H 1 8.775 0.01 . 1 . . . . 82 ALA H . 10052 1 351 . 1 1 82 82 ALA C C 13 173.569 0.3 . 1 . . . . 82 ALA C . 10052 1 352 . 1 1 82 82 ALA CA C 13 50.253 0.3 . 1 . . . . 82 ALA CA . 10052 1 353 . 1 1 82 82 ALA CB C 13 21.314 0.3 . 1 . . . . 82 ALA CB . 10052 1 354 . 1 1 82 82 ALA N N 15 127.029 0.2 . 1 . . . . 82 ALA N . 10052 1 355 . 1 1 83 83 VAL H H 1 9.273 0.01 . 1 . . . . 83 VAL H . 10052 1 356 . 1 1 83 83 VAL C C 13 173.927 0.3 . 1 . . . . 83 VAL C . 10052 1 357 . 1 1 83 83 VAL CA C 13 59.17 0.3 . 1 . . . . 83 VAL CA . 10052 1 358 . 1 1 83 83 VAL CB C 13 34.058 0.3 . 1 . . . . 83 VAL CB . 10052 1 359 . 1 1 83 83 VAL N N 15 117.001 0.2 . 1 . . . . 83 VAL N . 10052 1 360 . 1 1 92 92 ASP C C 13 172.49 0.3 . 1 . . . . 92 ASP C . 10052 1 361 . 1 1 92 92 ASP CA C 13 52.736 0.3 . 1 . . . . 92 ASP CA . 10052 1 362 . 1 1 92 92 ASP CB C 13 38.032 0.3 . 1 . . . . 92 ASP CB . 10052 1 363 . 1 1 93 93 ASN H H 1 8.308 0.01 . 1 . . . . 93 ASN H . 10052 1 364 . 1 1 93 93 ASN C C 13 172.539 0.3 . 1 . . . . 93 ASN C . 10052 1 365 . 1 1 93 93 ASN CA C 13 53.232 0.3 . 1 . . . . 93 ASN CA . 10052 1 366 . 1 1 93 93 ASN CB C 13 38.125 0.3 . 1 . . . . 93 ASN CB . 10052 1 367 . 1 1 93 93 ASN N N 15 118.278 0.2 . 1 . . . . 93 ASN N . 10052 1 368 . 1 1 94 94 GLU H H 1 8.229 0.01 . 1 . . . . 94 GLU H . 10052 1 369 . 1 1 94 94 GLU C C 13 173.641 0.3 . 1 . . . . 94 GLU C . 10052 1 370 . 1 1 94 94 GLU CA C 13 55.685 0.3 . 1 . . . . 94 GLU CA . 10052 1 371 . 1 1 94 94 GLU CB C 13 27.562 0.3 . 1 . . . . 94 GLU CB . 10052 1 372 . 1 1 94 94 GLU N N 15 119.125 0.2 . 1 . . . . 94 GLU N . 10052 1 373 . 1 1 95 95 GLY H H 1 8.203 0.01 . 1 . . . . 95 GLY H . 10052 1 374 . 1 1 95 95 GLY C C 13 171.353 0.3 . 1 . . . . 95 GLY C . 10052 1 375 . 1 1 95 95 GLY CA C 13 45.066 0.3 . 1 . . . . 95 GLY CA . 10052 1 376 . 1 1 95 95 GLY N N 15 108.757 0.2 . 1 . . . . 95 GLY N . 10052 1 377 . 1 1 96 96 LYS H H 1 7.985 0.01 . 1 . . . . 96 LYS H . 10052 1 378 . 1 1 96 96 LYS C C 13 173.607 0.3 . 1 . . . . 96 LYS C . 10052 1 379 . 1 1 96 96 LYS CA C 13 55.643 0.3 . 1 . . . . 96 LYS CA . 10052 1 380 . 1 1 96 96 LYS CB C 13 32.252 0.3 . 1 . . . . 96 LYS CB . 10052 1 381 . 1 1 96 96 LYS N N 15 120.123 0.2 . 1 . . . . 96 LYS N . 10052 1 382 . 1 1 97 97 LYS H H 1 8.18 0.01 . 1 . . . . 97 LYS H . 10052 1 383 . 1 1 97 97 LYS C C 13 173.352 0.3 . 1 . . . . 97 LYS C . 10052 1 384 . 1 1 97 97 LYS CA C 13 55.849 0.3 . 1 . . . . 97 LYS CA . 10052 1 385 . 1 1 97 97 LYS CB C 13 32.14 0.3 . 1 . . . . 97 LYS CB . 10052 1 386 . 1 1 97 97 LYS N N 15 121.513 0.2 . 1 . . . . 97 LYS N . 10052 1 387 . 1 1 98 98 ILE H H 1 8.033 0.01 . 1 . . . . 98 ILE H . 10052 1 388 . 1 1 98 98 ILE C C 13 173.03 0.3 . 1 . . . . 98 ILE C . 10052 1 389 . 1 1 98 98 ILE CA C 13 60.276 0.3 . 1 . . . . 98 ILE CA . 10052 1 390 . 1 1 98 98 ILE CB C 13 38.063 0.3 . 1 . . . . 98 ILE CB . 10052 1 391 . 1 1 98 98 ILE N N 15 122.258 0.2 . 1 . . . . 98 ILE N . 10052 1 392 . 1 1 99 99 GLU H H 1 8.363 0.01 . 1 . . . . 99 GLU H . 10052 1 393 . 1 1 99 99 GLU C C 13 172.092 0.3 . 1 . . . . 99 GLU C . 10052 1 394 . 1 1 99 99 GLU CA C 13 54.7 0.3 . 1 . . . . 99 GLU CA . 10052 1 395 . 1 1 99 99 GLU CB C 13 28.778 0.3 . 1 . . . . 99 GLU CB . 10052 1 396 . 1 1 99 99 GLU N N 15 124.338 0.2 . 1 . . . . 99 GLU N . 10052 1 397 . 1 1 100 100 ASP H H 1 8.289 0.01 . 1 . . . . 100 ASP H . 10052 1 398 . 1 1 100 100 ASP C C 13 171.7 0.3 . 1 . . . . 100 ASP C . 10052 1 399 . 1 1 100 100 ASP CA C 13 52.166 0.3 . 1 . . . . 100 ASP CA . 10052 1 400 . 1 1 100 100 ASP CB C 13 38.328 0.3 . 1 . . . . 100 ASP CB . 10052 1 401 . 1 1 100 100 ASP N N 15 120.601 0.2 . 1 . . . . 100 ASP N . 10052 1 402 . 1 1 103 103 ILE C C 13 174.704 0.3 . 1 . . . . 103 ILE C . 10052 1 403 . 1 1 103 103 ILE CA C 13 64.517 0.3 . 1 . . . . 103 ILE CA . 10052 1 404 . 1 1 103 103 ILE CB C 13 36.61 0.3 . 1 . . . . 103 ILE CB . 10052 1 405 . 1 1 104 104 VAL H H 1 8.536 0.01 . 1 . . . . 104 VAL H . 10052 1 406 . 1 1 104 104 VAL C C 13 170.971 0.3 . 1 . . . . 104 VAL C . 10052 1 407 . 1 1 104 104 VAL CA C 13 58.226 0.3 . 1 . . . . 104 VAL CA . 10052 1 408 . 1 1 104 104 VAL CB C 13 32.749 0.3 . 1 . . . . 104 VAL CB . 10052 1 409 . 1 1 104 104 VAL N N 15 117.102 0.2 . 1 . . . . 104 VAL N . 10052 1 410 . 1 1 105 105 PRO C C 13 174.95 0.3 . 1 . . . . 105 PRO C . 10052 1 411 . 1 1 105 105 PRO CA C 13 63.432 0.3 . 1 . . . . 105 PRO CA . 10052 1 412 . 1 1 105 105 PRO CB C 13 30.532 0.3 . 1 . . . . 105 PRO CB . 10052 1 413 . 1 1 106 106 GLY H H 1 8.937 0.01 . 1 . . . . 106 GLY H . 10052 1 414 . 1 1 106 106 GLY C C 13 170.657 0.3 . 1 . . . . 106 GLY C . 10052 1 415 . 1 1 106 106 GLY CA C 13 45.134 0.3 . 1 . . . . 106 GLY CA . 10052 1 416 . 1 1 106 106 GLY N N 15 113.475 0.2 . 1 . . . . 106 GLY N . 10052 1 417 . 1 1 107 107 ALA H H 1 7.168 0.01 . 1 . . . . 107 ALA H . 10052 1 418 . 1 1 107 107 ALA C C 13 171.325 0.3 . 1 . . . . 107 ALA C . 10052 1 419 . 1 1 107 107 ALA CA C 13 50.308 0.3 . 1 . . . . 107 ALA CA . 10052 1 420 . 1 1 107 107 ALA CB C 13 17.323 0.3 . 1 . . . . 107 ALA CB . 10052 1 421 . 1 1 107 107 ALA N N 15 123.673 0.2 . 1 . . . . 107 ALA N . 10052 1 422 . 1 1 108 108 PRO C C 13 174.696 0.3 . 1 . . . . 108 PRO C . 10052 1 423 . 1 1 108 108 PRO CA C 13 63.2 0.3 . 1 . . . . 108 PRO CA . 10052 1 424 . 1 1 108 108 PRO CB C 13 31.426 0.3 . 1 . . . . 108 PRO CB . 10052 1 425 . 1 1 109 109 THR H H 1 8.582 0.01 . 1 . . . . 109 THR H . 10052 1 426 . 1 1 109 109 THR C C 13 170.312 0.3 . 1 . . . . 109 THR C . 10052 1 427 . 1 1 109 109 THR CA C 13 65.276 0.3 . 1 . . . . 109 THR CA . 10052 1 428 . 1 1 109 109 THR CB C 13 68.296 0.3 . 1 . . . . 109 THR CB . 10052 1 429 . 1 1 109 109 THR N N 15 117.162 0.2 . 1 . . . . 109 THR N . 10052 1 430 . 1 1 110 110 ALA H H 1 7.347 0.01 . 1 . . . . 110 ALA H . 10052 1 431 . 1 1 110 110 ALA C C 13 173.116 0.3 . 1 . . . . 110 ALA C . 10052 1 432 . 1 1 110 110 ALA CA C 13 50.677 0.3 . 1 . . . . 110 ALA CA . 10052 1 433 . 1 1 110 110 ALA CB C 13 21.762 0.3 . 1 . . . . 110 ALA CB . 10052 1 434 . 1 1 110 110 ALA N N 15 118.636 0.2 . 1 . . . . 110 ALA N . 10052 1 435 . 1 1 111 111 TYR H H 1 8.676 0.01 . 1 . . . . 111 TYR H . 10052 1 436 . 1 1 111 111 TYR C C 13 172.096 0.3 . 1 . . . . 111 TYR C . 10052 1 437 . 1 1 111 111 TYR CA C 13 57.081 0.3 . 1 . . . . 111 TYR CA . 10052 1 438 . 1 1 111 111 TYR CB C 13 44.36 0.3 . 1 . . . . 111 TYR CB . 10052 1 439 . 1 1 111 111 TYR N N 15 115.184 0.2 . 1 . . . . 111 TYR N . 10052 1 440 . 1 1 112 112 PHE H H 1 8.665 0.01 . 1 . . . . 112 PHE H . 10052 1 441 . 1 1 112 112 PHE C C 13 173.955 0.3 . 1 . . . . 112 PHE C . 10052 1 442 . 1 1 112 112 PHE CA C 13 56.316 0.3 . 1 . . . . 112 PHE CA . 10052 1 443 . 1 1 112 112 PHE CB C 13 39.247 0.3 . 1 . . . . 112 PHE CB . 10052 1 444 . 1 1 112 112 PHE N N 15 118.913 0.2 . 1 . . . . 112 PHE N . 10052 1 445 . 1 1 113 113 SER H H 1 8.404 0.01 . 1 . . . . 113 SER H . 10052 1 446 . 1 1 113 113 SER C C 13 172.93 0.3 . 1 . . . . 113 SER C . 10052 1 447 . 1 1 113 113 SER CA C 13 59.025 0.3 . 1 . . . . 113 SER CA . 10052 1 448 . 1 1 113 113 SER CB C 13 63.856 0.3 . 1 . . . . 113 SER CB . 10052 1 449 . 1 1 113 113 SER N N 15 111.794 0.2 . 1 . . . . 113 SER N . 10052 1 450 . 1 1 114 114 THR H H 1 8.142 0.01 . 1 . . . . 114 THR H . 10052 1 451 . 1 1 114 114 THR C C 13 173.846 0.3 . 1 . . . . 114 THR C . 10052 1 452 . 1 1 114 114 THR CA C 13 60.145 0.3 . 1 . . . . 114 THR CA . 10052 1 453 . 1 1 114 114 THR CB C 13 68.328 0.3 . 1 . . . . 114 THR CB . 10052 1 454 . 1 1 114 114 THR N N 15 114.794 0.2 . 1 . . . . 114 THR N . 10052 1 455 . 1 1 115 115 LEU H H 1 7.41 0.01 . 1 . . . . 115 LEU H . 10052 1 456 . 1 1 115 115 LEU C C 13 173.381 0.3 . 1 . . . . 115 LEU C . 10052 1 457 . 1 1 115 115 LEU CA C 13 53.161 0.3 . 1 . . . . 115 LEU CA . 10052 1 458 . 1 1 115 115 LEU CB C 13 40.522 0.3 . 1 . . . . 115 LEU CB . 10052 1 459 . 1 1 115 115 LEU N N 15 118.697 0.2 . 1 . . . . 115 LEU N . 10052 1 460 . 1 1 116 116 PRO C C 13 173.455 0.3 . 1 . . . . 116 PRO C . 10052 1 461 . 1 1 116 116 PRO CA C 13 61.112 0.3 . 1 . . . . 116 PRO CA . 10052 1 462 . 1 1 116 116 PRO CB C 13 26.73 0.3 . 1 . . . . 116 PRO CB . 10052 1 463 . 1 1 117 117 ILE H H 1 7.875 0.01 . 1 . . . . 117 ILE H . 10052 1 464 . 1 1 117 117 ILE C C 13 173.946 0.3 . 1 . . . . 117 ILE C . 10052 1 465 . 1 1 117 117 ILE CA C 13 67.139 0.3 . 1 . . . . 117 ILE CA . 10052 1 466 . 1 1 117 117 ILE CB C 13 37.027 0.3 . 1 . . . . 117 ILE CB . 10052 1 467 . 1 1 117 117 ILE N N 15 120.533 0.2 . 1 . . . . 117 ILE N . 10052 1 468 . 1 1 118 118 LYS H H 1 8.352 0.01 . 1 . . . . 118 LYS H . 10052 1 469 . 1 1 118 118 LYS C C 13 176.707 0.3 . 1 . . . . 118 LYS C . 10052 1 470 . 1 1 118 118 LYS CA C 13 59.993 0.3 . 1 . . . . 118 LYS CA . 10052 1 471 . 1 1 118 118 LYS CB C 13 30.797 0.3 . 1 . . . . 118 LYS CB . 10052 1 472 . 1 1 118 118 LYS N N 15 120.734 0.2 . 1 . . . . 118 LYS N . 10052 1 473 . 1 1 119 119 LYS H H 1 7.677 0.01 . 1 . . . . 119 LYS H . 10052 1 474 . 1 1 119 119 LYS C C 13 177.069 0.3 . 1 . . . . 119 LYS C . 10052 1 475 . 1 1 119 119 LYS CA C 13 59.19 0.3 . 1 . . . . 119 LYS CA . 10052 1 476 . 1 1 119 119 LYS CB C 13 31.951 0.3 . 1 . . . . 119 LYS CB . 10052 1 477 . 1 1 119 119 LYS N N 15 120.123 0.2 . 1 . . . . 119 LYS N . 10052 1 478 . 1 1 120 120 ILE H H 1 8.305 0.01 . 1 . . . . 120 ILE H . 10052 1 479 . 1 1 120 120 ILE C C 13 173.879 0.3 . 1 . . . . 120 ILE C . 10052 1 480 . 1 1 120 120 ILE CA C 13 65.773 0.3 . 1 . . . . 120 ILE CA . 10052 1 481 . 1 1 120 120 ILE CB C 13 36.831 0.3 . 1 . . . . 120 ILE CB . 10052 1 482 . 1 1 120 120 ILE N N 15 119.471 0.2 . 1 . . . . 120 ILE N . 10052 1 483 . 1 1 121 121 MET H H 1 8.118 0.01 . 1 . . . . 121 MET H . 10052 1 484 . 1 1 121 121 MET C C 13 174.912 0.3 . 1 . . . . 121 MET C . 10052 1 485 . 1 1 121 121 MET CA C 13 58.389 0.3 . 1 . . . . 121 MET CA . 10052 1 486 . 1 1 121 121 MET CB C 13 30.906 0.3 . 1 . . . . 121 MET CB . 10052 1 487 . 1 1 121 121 MET N N 15 117.842 0.2 . 1 . . . . 121 MET N . 10052 1 488 . 1 1 122 122 LYS H H 1 7.676 0.01 . 1 . . . . 122 LYS H . 10052 1 489 . 1 1 122 122 LYS C C 13 176.146 0.3 . 1 . . . . 122 LYS C . 10052 1 490 . 1 1 122 122 LYS CA C 13 59.114 0.3 . 1 . . . . 122 LYS CA . 10052 1 491 . 1 1 122 122 LYS CB C 13 31.662 0.3 . 1 . . . . 122 LYS CB . 10052 1 492 . 1 1 122 122 LYS N N 15 117.992 0.2 . 1 . . . . 122 LYS N . 10052 1 493 . 1 1 123 123 LYS H H 1 7.635 0.01 . 1 . . . . 123 LYS H . 10052 1 494 . 1 1 123 123 LYS C C 13 173.243 0.3 . 1 . . . . 123 LYS C . 10052 1 495 . 1 1 123 123 LYS CA C 13 57.403 0.3 . 1 . . . . 123 LYS CA . 10052 1 496 . 1 1 123 123 LYS CB C 13 30.273 0.3 . 1 . . . . 123 LYS CB . 10052 1 497 . 1 1 123 123 LYS N N 15 119.147 0.2 . 1 . . . . 123 LYS N . 10052 1 498 . 1 1 124 124 LEU H H 1 8.476 0.01 . 1 . . . . 124 LEU H . 10052 1 499 . 1 1 124 124 LEU C C 13 176.519 0.3 . 1 . . . . 124 LEU C . 10052 1 500 . 1 1 124 124 LEU CA C 13 57.988 0.3 . 1 . . . . 124 LEU CA . 10052 1 501 . 1 1 124 124 LEU CB C 13 38.615 0.3 . 1 . . . . 124 LEU CB . 10052 1 502 . 1 1 124 124 LEU N N 15 118.469 0.2 . 1 . . . . 124 LEU N . 10052 1 503 . 1 1 125 125 HIS H H 1 8.208 0.01 . 1 . . . . 125 HIS H . 10052 1 504 . 1 1 125 125 HIS C C 13 176.804 0.3 . 1 . . . . 125 HIS C . 10052 1 505 . 1 1 125 125 HIS CA C 13 57.487 0.3 . 1 . . . . 125 HIS CA . 10052 1 506 . 1 1 125 125 HIS CB C 13 27.262 0.3 . 1 . . . . 125 HIS CB . 10052 1 507 . 1 1 125 125 HIS N N 15 116.966 0.2 . 1 . . . . 125 HIS N . 10052 1 508 . 1 1 126 126 GLU H H 1 8.271 0.01 . 1 . . . . 126 GLU H . 10052 1 509 . 1 1 126 126 GLU C C 13 175.034 0.3 . 1 . . . . 126 GLU C . 10052 1 510 . 1 1 126 126 GLU CA C 13 58.326 0.3 . 1 . . . . 126 GLU CA . 10052 1 511 . 1 1 126 126 GLU CB C 13 27.483 0.3 . 1 . . . . 126 GLU CB . 10052 1 512 . 1 1 126 126 GLU N N 15 120.802 0.2 . 1 . . . . 126 GLU N . 10052 1 513 . 1 1 127 127 ARG H H 1 7.502 0.01 . 1 . . . . 127 ARG H . 10052 1 514 . 1 1 127 127 ARG C C 13 173.123 0.3 . 1 . . . . 127 ARG C . 10052 1 515 . 1 1 127 127 ARG CA C 13 54.176 0.3 . 1 . . . . 127 ARG CA . 10052 1 516 . 1 1 127 127 ARG CB C 13 29.255 0.3 . 1 . . . . 127 ARG CB . 10052 1 517 . 1 1 127 127 ARG N N 15 116.243 0.2 . 1 . . . . 127 ARG N . 10052 1 518 . 1 1 128 128 GLY H H 1 7.86 0.01 . 1 . . . . 128 GLY H . 10052 1 519 . 1 1 128 128 GLY C C 13 171.304 0.3 . 1 . . . . 128 GLY C . 10052 1 520 . 1 1 128 128 GLY CA C 13 45.4 0.3 . 1 . . . . 128 GLY CA . 10052 1 521 . 1 1 128 128 GLY N N 15 108.33 0.2 . 1 . . . . 128 GLY N . 10052 1 522 . 1 1 129 129 ILE H H 1 7.968 0.01 . 1 . . . . 129 ILE H . 10052 1 523 . 1 1 129 129 ILE C C 13 170.858 0.3 . 1 . . . . 129 ILE C . 10052 1 524 . 1 1 129 129 ILE CA C 13 58.084 0.3 . 1 . . . . 129 ILE CA . 10052 1 525 . 1 1 129 129 ILE CB C 13 38.533 0.3 . 1 . . . . 129 ILE CB . 10052 1 526 . 1 1 129 129 ILE N N 15 122.669 0.2 . 1 . . . . 129 ILE N . 10052 1 527 . 1 1 130 130 PRO C C 13 173.886 0.3 . 1 . . . . 130 PRO C . 10052 1 528 . 1 1 130 130 PRO CA C 13 62.693 0.3 . 1 . . . . 130 PRO CA . 10052 1 529 . 1 1 130 130 PRO CB C 13 31.239 0.3 . 1 . . . . 130 PRO CB . 10052 1 530 . 1 1 131 131 ALA H H 1 8.153 0.01 . 1 . . . . 131 ALA H . 10052 1 531 . 1 1 131 131 ALA C C 13 173.095 0.3 . 1 . . . . 131 ALA C . 10052 1 532 . 1 1 131 131 ALA CA C 13 50.768 0.3 . 1 . . . . 131 ALA CA . 10052 1 533 . 1 1 131 131 ALA CB C 13 22.795 0.3 . 1 . . . . 131 ALA CB . 10052 1 534 . 1 1 131 131 ALA N N 15 122.624 0.2 . 1 . . . . 131 ALA N . 10052 1 535 . 1 1 132 132 TYR H H 1 8.658 0.01 . 1 . . . . 132 TYR H . 10052 1 536 . 1 1 132 132 TYR C C 13 169.946 0.3 . 1 . . . . 132 TYR C . 10052 1 537 . 1 1 132 132 TYR CA C 13 55.916 0.3 . 1 . . . . 132 TYR CA . 10052 1 538 . 1 1 132 132 TYR CB C 13 40.269 0.3 . 1 . . . . 132 TYR CB . 10052 1 539 . 1 1 132 132 TYR N N 15 118.281 0.2 . 1 . . . . 132 TYR N . 10052 1 540 . 1 1 133 133 ILE H H 1 8.67 0.01 . 1 . . . . 133 ILE H . 10052 1 541 . 1 1 133 133 ILE C C 13 173.187 0.3 . 1 . . . . 133 ILE C . 10052 1 542 . 1 1 133 133 ILE CA C 13 60.076 0.3 . 1 . . . . 133 ILE CA . 10052 1 543 . 1 1 133 133 ILE CB C 13 38.127 0.3 . 1 . . . . 133 ILE CB . 10052 1 544 . 1 1 133 133 ILE N N 15 120.546 0.2 . 1 . . . . 133 ILE N . 10052 1 545 . 1 1 134 134 SER H H 1 8.472 0.01 . 1 . . . . 134 SER H . 10052 1 546 . 1 1 134 134 SER C C 13 170.81 0.3 . 1 . . . . 134 SER C . 10052 1 547 . 1 1 134 134 SER CA C 13 55.714 0.3 . 1 . . . . 134 SER CA . 10052 1 548 . 1 1 134 134 SER CB C 13 63.685 0.3 . 1 . . . . 134 SER CB . 10052 1 549 . 1 1 134 134 SER N N 15 122.064 0.2 . 1 . . . . 134 SER N . 10052 1 550 . 1 1 135 135 ASN H H 1 8.82 0.01 . 1 . . . . 135 ASN H . 10052 1 551 . 1 1 135 135 ASN C C 13 172.175 0.3 . 1 . . . . 135 ASN C . 10052 1 552 . 1 1 135 135 ASN CA C 13 53.285 0.3 . 1 . . . . 135 ASN CA . 10052 1 553 . 1 1 135 135 ASN CB C 13 39.304 0.3 . 1 . . . . 135 ASN CB . 10052 1 554 . 1 1 135 135 ASN N N 15 124.305 0.2 . 1 . . . . 135 ASN N . 10052 1 555 . 1 1 136 136 SER C C 13 171.14 0.3 . 1 . . . . 136 SER C . 10052 1 556 . 1 1 136 136 SER CA C 13 57.754 0.3 . 1 . . . . 136 SER CA . 10052 1 557 . 1 1 136 136 SER CB C 13 63.829 0.3 . 1 . . . . 136 SER CB . 10052 1 558 . 1 1 137 137 ALA H H 1 8.8 0.01 . 1 . . . . 137 ALA H . 10052 1 559 . 1 1 137 137 ALA C C 13 175.098 0.3 . 1 . . . . 137 ALA C . 10052 1 560 . 1 1 137 137 ALA CA C 13 51.705 0.3 . 1 . . . . 137 ALA CA . 10052 1 561 . 1 1 137 137 ALA CB C 13 18.719 0.3 . 1 . . . . 137 ALA CB . 10052 1 562 . 1 1 137 137 ALA N N 15 128.255 0.2 . 1 . . . . 137 ALA N . 10052 1 563 . 1 1 138 138 GLY H H 1 8.155 0.01 . 1 . . . . 138 GLY H . 10052 1 564 . 1 1 138 138 GLY C C 13 169.833 0.3 . 1 . . . . 138 GLY C . 10052 1 565 . 1 1 138 138 GLY CA C 13 44.297 0.3 . 1 . . . . 138 GLY CA . 10052 1 566 . 1 1 138 138 GLY N N 15 108.007 0.2 . 1 . . . . 138 GLY N . 10052 1 567 . 1 1 139 139 LEU H H 1 7.619 0.01 . 1 . . . . 139 LEU H . 10052 1 568 . 1 1 139 139 LEU C C 13 176.148 0.3 . 1 . . . . 139 LEU C . 10052 1 569 . 1 1 139 139 LEU CA C 13 53.159 0.3 . 1 . . . . 139 LEU CA . 10052 1 570 . 1 1 139 139 LEU CB C 13 41.075 0.3 . 1 . . . . 139 LEU CB . 10052 1 571 . 1 1 139 139 LEU N N 15 118.175 0.2 . 1 . . . . 139 LEU N . 10052 1 572 . 1 1 143 143 ASN C C 13 172.205 0.3 . 1 . . . . 143 ASN C . 10052 1 573 . 1 1 143 143 ASN CA C 13 57.396 0.3 . 1 . . . . 143 ASN CA . 10052 1 574 . 1 1 143 143 ASN CB C 13 39.913 0.3 . 1 . . . . 143 ASN CB . 10052 1 575 . 1 1 144 144 TYR H H 1 7.826 0.01 . 1 . . . . 144 TYR H . 10052 1 576 . 1 1 144 144 TYR C C 13 174.207 0.3 . 1 . . . . 144 TYR C . 10052 1 577 . 1 1 144 144 TYR CA C 13 60.837 0.3 . 1 . . . . 144 TYR CA . 10052 1 578 . 1 1 144 144 TYR CB C 13 39.105 0.3 . 1 . . . . 144 TYR CB . 10052 1 579 . 1 1 144 144 TYR N N 15 119.892 0.2 . 1 . . . . 144 TYR N . 10052 1 580 . 1 1 145 145 VAL H H 1 8.054 0.01 . 1 . . . . 145 VAL H . 10052 1 581 . 1 1 145 145 VAL C C 13 173.715 0.3 . 1 . . . . 145 VAL C . 10052 1 582 . 1 1 145 145 VAL CA C 13 66.028 0.3 . 1 . . . . 145 VAL CA . 10052 1 583 . 1 1 145 145 VAL CB C 13 31.313 0.3 . 1 . . . . 145 VAL CB . 10052 1 584 . 1 1 145 145 VAL N N 15 115.95 0.2 . 1 . . . . 145 VAL N . 10052 1 585 . 1 1 146 146 MET H H 1 8.17 0.01 . 1 . . . . 146 MET H . 10052 1 586 . 1 1 146 146 MET C C 13 175.677 0.3 . 1 . . . . 146 MET C . 10052 1 587 . 1 1 146 146 MET CA C 13 58.959 0.3 . 1 . . . . 146 MET CA . 10052 1 588 . 1 1 146 146 MET CB C 13 31.28 0.3 . 1 . . . . 146 MET CB . 10052 1 589 . 1 1 146 146 MET N N 15 118.321 0.2 . 1 . . . . 146 MET N . 10052 1 590 . 1 1 147 147 TYR H H 1 9.161 0.01 . 1 . . . . 147 TYR H . 10052 1 591 . 1 1 147 147 TYR C C 13 174.85 0.3 . 1 . . . . 147 TYR C . 10052 1 592 . 1 1 147 147 TYR CA C 13 63.052 0.3 . 1 . . . . 147 TYR CA . 10052 1 593 . 1 1 147 147 TYR CB C 13 38.325 0.3 . 1 . . . . 147 TYR CB . 10052 1 594 . 1 1 147 147 TYR N N 15 118.607 0.2 . 1 . . . . 147 TYR N . 10052 1 595 . 1 1 148 148 LEU H H 1 8.149 0.01 . 1 . . . . 148 LEU H . 10052 1 596 . 1 1 148 148 LEU C C 13 177.732 0.3 . 1 . . . . 148 LEU C . 10052 1 597 . 1 1 148 148 LEU CA C 13 57.681 0.3 . 1 . . . . 148 LEU CA . 10052 1 598 . 1 1 148 148 LEU CB C 13 41.449 0.3 . 1 . . . . 148 LEU CB . 10052 1 599 . 1 1 148 148 LEU N N 15 117.945 0.2 . 1 . . . . 148 LEU N . 10052 1 600 . 1 1 149 149 SER H H 1 8.12 0.01 . 1 . . . . 149 SER H . 10052 1 601 . 1 1 149 149 SER C C 13 174.367 0.3 . 1 . . . . 149 SER C . 10052 1 602 . 1 1 149 149 SER CA C 13 61.331 0.3 . 1 . . . . 149 SER CA . 10052 1 603 . 1 1 149 149 SER CB C 13 62.619 0.3 . 1 . . . . 149 SER CB . 10052 1 604 . 1 1 149 149 SER N N 15 115.976 0.2 . 1 . . . . 149 SER N . 10052 1 605 . 1 1 150 150 LEU H H 1 7.573 0.01 . 1 . . . . 150 LEU H . 10052 1 606 . 1 1 150 150 LEU C C 13 176.938 0.3 . 1 . . . . 150 LEU C . 10052 1 607 . 1 1 150 150 LEU CA C 13 57.314 0.3 . 1 . . . . 150 LEU CA . 10052 1 608 . 1 1 150 150 LEU CB C 13 40.482 0.3 . 1 . . . . 150 LEU CB . 10052 1 609 . 1 1 150 150 LEU N N 15 118.865 0.2 . 1 . . . . 150 LEU N . 10052 1 610 . 1 1 151 151 HIS H H 1 8.929 0.01 . 1 . . . . 151 HIS H . 10052 1 611 . 1 1 151 151 HIS C C 13 174.452 0.3 . 1 . . . . 151 HIS C . 10052 1 612 . 1 1 151 151 HIS CA C 13 58.258 0.3 . 1 . . . . 151 HIS CA . 10052 1 613 . 1 1 151 151 HIS CB C 13 27.695 0.3 . 1 . . . . 151 HIS CB . 10052 1 614 . 1 1 151 151 HIS N N 15 119.539 0.2 . 1 . . . . 151 HIS N . 10052 1 615 . 1 1 152 152 HIS C C 13 174.053 0.3 . 1 . . . . 152 HIS C . 10052 1 616 . 1 1 152 152 HIS CA C 13 59.25 0.3 . 1 . . . . 152 HIS CA . 10052 1 617 . 1 1 152 152 HIS CB C 13 27.325 0.3 . 1 . . . . 152 HIS CB . 10052 1 618 . 1 1 153 153 SER H H 1 7.7 0.01 . 1 . . . . 153 SER H . 10052 1 619 . 1 1 153 153 SER C C 13 174.082 0.3 . 1 . . . . 153 SER C . 10052 1 620 . 1 1 153 153 SER CA C 13 60.691 0.3 . 1 . . . . 153 SER CA . 10052 1 621 . 1 1 153 153 SER CB C 13 62.48 0.3 . 1 . . . . 153 SER CB . 10052 1 622 . 1 1 153 153 SER N N 15 113.184 0.2 . 1 . . . . 153 SER N . 10052 1 623 . 1 1 154 154 ALA H H 1 7.317 0.01 . 1 . . . . 154 ALA H . 10052 1 624 . 1 1 154 154 ALA C C 13 176.323 0.3 . 1 . . . . 154 ALA C . 10052 1 625 . 1 1 154 154 ALA CA C 13 54.002 0.3 . 1 . . . . 154 ALA CA . 10052 1 626 . 1 1 154 154 ALA CB C 13 18.333 0.3 . 1 . . . . 154 ALA CB . 10052 1 627 . 1 1 154 154 ALA N N 15 119.999 0.2 . 1 . . . . 154 ALA N . 10052 1 628 . 1 1 155 155 THR H H 1 7.287 0.01 . 1 . . . . 155 THR H . 10052 1 629 . 1 1 155 155 THR C C 13 173.64 0.3 . 1 . . . . 155 THR C . 10052 1 630 . 1 1 155 155 THR CA C 13 62.206 0.3 . 1 . . . . 155 THR CA . 10052 1 631 . 1 1 155 155 THR CB C 13 69.619 0.3 . 1 . . . . 155 THR CB . 10052 1 632 . 1 1 155 155 THR N N 15 104.94 0.2 . 1 . . . . 155 THR N . 10052 1 633 . 1 1 156 156 LYS H H 1 7.932 0.01 . 1 . . . . 156 LYS H . 10052 1 634 . 1 1 156 156 LYS C C 13 174.826 0.3 . 1 . . . . 156 LYS C . 10052 1 635 . 1 1 156 156 LYS CA C 13 54.237 0.3 . 1 . . . . 156 LYS CA . 10052 1 636 . 1 1 156 156 LYS CB C 13 32.514 0.3 . 1 . . . . 156 LYS CB . 10052 1 637 . 1 1 156 156 LYS N N 15 117.977 0.2 . 1 . . . . 156 LYS N . 10052 1 638 . 1 1 157 157 GLY H H 1 7.459 0.01 . 1 . . . . 157 GLY H . 10052 1 639 . 1 1 157 157 GLY C C 13 169.796 0.3 . 1 . . . . 157 GLY C . 10052 1 640 . 1 1 157 157 GLY CA C 13 45.179 0.3 . 1 . . . . 157 GLY CA . 10052 1 641 . 1 1 157 157 GLY N N 15 106.817 0.2 . 1 . . . . 157 GLY N . 10052 1 642 . 1 1 158 158 TYR H H 1 6.71 0.01 . 1 . . . . 158 TYR H . 10052 1 643 . 1 1 158 158 TYR C C 13 169.979 0.3 . 1 . . . . 158 TYR C . 10052 1 644 . 1 1 158 158 TYR CA C 13 54.053 0.3 . 1 . . . . 158 TYR CA . 10052 1 645 . 1 1 158 158 TYR CB C 13 37.911 0.3 . 1 . . . . 158 TYR CB . 10052 1 646 . 1 1 158 158 TYR N N 15 113.22 0.2 . 1 . . . . 158 TYR N . 10052 1 647 . 1 1 159 159 PRO C C 13 169.615 0.3 . 1 . . . . 159 PRO C . 10052 1 648 . 1 1 159 159 PRO CA C 13 61.151 0.3 . 1 . . . . 159 PRO CA . 10052 1 649 . 1 1 159 159 PRO CB C 13 33.6 0.3 . 1 . . . . 159 PRO CB . 10052 1 650 . 1 1 160 160 LYS H H 1 8.611 0.01 . 1 . . . . 160 LYS H . 10052 1 651 . 1 1 160 160 LYS C C 13 174.015 0.3 . 1 . . . . 160 LYS C . 10052 1 652 . 1 1 160 160 LYS CA C 13 58.272 0.3 . 1 . . . . 160 LYS CA . 10052 1 653 . 1 1 160 160 LYS CB C 13 31.885 0.3 . 1 . . . . 160 LYS CB . 10052 1 654 . 1 1 160 160 LYS N N 15 124.9 0.2 . 1 . . . . 160 LYS N . 10052 1 655 . 1 1 161 161 MET H H 1 7.343 0.01 . 1 . . . . 161 MET H . 10052 1 656 . 1 1 161 161 MET C C 13 172.143 0.3 . 1 . . . . 161 MET C . 10052 1 657 . 1 1 161 161 MET CA C 13 53.428 0.3 . 1 . . . . 161 MET CA . 10052 1 658 . 1 1 161 161 MET CB C 13 37.444 0.3 . 1 . . . . 161 MET CB . 10052 1 659 . 1 1 161 161 MET N N 15 113.088 0.2 . 1 . . . . 161 MET N . 10052 1 660 . 1 1 162 162 SER H H 1 8.41 0.01 . 1 . . . . 162 SER H . 10052 1 661 . 1 1 162 162 SER C C 13 171.186 0.3 . 1 . . . . 162 SER C . 10052 1 662 . 1 1 162 162 SER CA C 13 54.954 0.3 . 1 . . . . 162 SER CA . 10052 1 663 . 1 1 162 162 SER CB C 13 63.053 0.3 . 1 . . . . 162 SER CB . 10052 1 664 . 1 1 162 162 SER N N 15 116.066 0.2 . 1 . . . . 162 SER N . 10052 1 665 . 1 1 163 163 GLY H H 1 7.789 0.01 . 1 . . . . 163 GLY H . 10052 1 666 . 1 1 163 163 GLY C C 13 166.57 0.3 . 1 . . . . 163 GLY C . 10052 1 667 . 1 1 163 163 GLY CA C 13 45.677 0.3 . 1 . . . . 163 GLY CA . 10052 1 668 . 1 1 163 163 GLY N N 15 111.803 0.2 . 1 . . . . 163 GLY N . 10052 1 669 . 1 1 164 164 PHE H H 1 8.853 0.01 . 1 . . . . 164 PHE H . 10052 1 670 . 1 1 164 164 PHE C C 13 171.614 0.3 . 1 . . . . 164 PHE C . 10052 1 671 . 1 1 164 164 PHE CA C 13 55.141 0.3 . 1 . . . . 164 PHE CA . 10052 1 672 . 1 1 164 164 PHE CB C 13 45.078 0.3 . 1 . . . . 164 PHE CB . 10052 1 673 . 1 1 164 164 PHE N N 15 121.413 0.2 . 1 . . . . 164 PHE N . 10052 1 674 . 1 1 165 165 ILE H H 1 8.653 0.01 . 1 . . . . 165 ILE H . 10052 1 675 . 1 1 165 165 ILE C C 13 170.897 0.3 . 1 . . . . 165 ILE C . 10052 1 676 . 1 1 165 165 ILE CA C 13 59.07 0.3 . 1 . . . . 165 ILE CA . 10052 1 677 . 1 1 165 165 ILE CB C 13 41.153 0.3 . 1 . . . . 165 ILE CB . 10052 1 678 . 1 1 165 165 ILE N N 15 127.288 0.2 . 1 . . . . 165 ILE N . 10052 1 679 . 1 1 166 166 HIS H H 1 9.632 0.01 . 1 . . . . 166 HIS H . 10052 1 680 . 1 1 166 166 HIS C C 13 172.863 0.3 . 1 . . . . 166 HIS C . 10052 1 681 . 1 1 166 166 HIS CA C 13 54.215 0.3 . 1 . . . . 166 HIS CA . 10052 1 682 . 1 1 166 166 HIS CB C 13 30.213 0.3 . 1 . . . . 166 HIS CB . 10052 1 683 . 1 1 166 166 HIS N N 15 122.775 0.2 . 1 . . . . 166 HIS N . 10052 1 684 . 1 1 167 167 VAL H H 1 9.096 0.01 . 1 . . . . 167 VAL H . 10052 1 685 . 1 1 167 167 VAL C C 13 170.151 0.3 . 1 . . . . 167 VAL C . 10052 1 686 . 1 1 167 167 VAL CA C 13 56.391 0.3 . 1 . . . . 167 VAL CA . 10052 1 687 . 1 1 167 167 VAL CB C 13 31.249 0.3 . 1 . . . . 167 VAL CB . 10052 1 688 . 1 1 167 167 VAL N N 15 114.797 0.2 . 1 . . . . 167 VAL N . 10052 1 689 . 1 1 176 176 ASP C C 13 172.386 0.3 . 1 . . . . 176 ASP C . 10052 1 690 . 1 1 176 176 ASP CA C 13 52.908 0.3 . 1 . . . . 176 ASP CA . 10052 1 691 . 1 1 176 176 ASP CB C 13 37.688 0.3 . 1 . . . . 176 ASP CB . 10052 1 692 . 1 1 177 177 LYS H H 1 8.011 0.01 . 1 . . . . 177 LYS H . 10052 1 693 . 1 1 177 177 LYS C C 13 173.588 0.3 . 1 . . . . 177 LYS C . 10052 1 694 . 1 1 177 177 LYS CA C 13 55.68 0.3 . 1 . . . . 177 LYS CA . 10052 1 695 . 1 1 177 177 LYS CB C 13 32.156 0.3 . 1 . . . . 177 LYS CB . 10052 1 696 . 1 1 177 177 LYS N N 15 120.851 0.2 . 1 . . . . 177 LYS N . 10052 1 697 . 1 1 178 178 ILE H H 1 7.835 0.01 . 1 . . . . 178 ILE H . 10052 1 698 . 1 1 178 178 ILE C C 13 174.088 0.3 . 1 . . . . 178 ILE C . 10052 1 699 . 1 1 178 178 ILE CA C 13 61.178 0.3 . 1 . . . . 178 ILE CA . 10052 1 700 . 1 1 178 178 ILE CB C 13 37.733 0.3 . 1 . . . . 178 ILE CB . 10052 1 701 . 1 1 178 178 ILE N N 15 120.75 0.2 . 1 . . . . 178 ILE N . 10052 1 702 . 1 1 179 179 GLY H H 1 8.385 0.01 . 1 . . . . 179 GLY H . 10052 1 703 . 1 1 179 179 GLY C C 13 171.418 0.3 . 1 . . . . 179 GLY C . 10052 1 704 . 1 1 179 179 GLY CA C 13 44.801 0.3 . 1 . . . . 179 GLY CA . 10052 1 705 . 1 1 179 179 GLY N N 15 112.852 0.2 . 1 . . . . 179 GLY N . 10052 1 706 . 1 1 180 180 LYS H H 1 8.171 0.01 . 1 . . . . 180 LYS H . 10052 1 707 . 1 1 180 180 LYS C C 13 174.187 0.3 . 1 . . . . 180 LYS C . 10052 1 708 . 1 1 180 180 LYS CA C 13 55.768 0.3 . 1 . . . . 180 LYS CA . 10052 1 709 . 1 1 180 180 LYS CB C 13 31.797 0.3 . 1 . . . . 180 LYS CB . 10052 1 710 . 1 1 180 180 LYS N N 15 120.814 0.2 . 1 . . . . 180 LYS N . 10052 1 711 . 1 1 181 181 GLY H H 1 8.304 0.01 . 1 . . . . 181 GLY H . 10052 1 712 . 1 1 181 181 GLY C C 13 170.881 0.3 . 1 . . . . 181 GLY C . 10052 1 713 . 1 1 181 181 GLY CA C 13 44.614 0.3 . 1 . . . . 181 GLY CA . 10052 1 714 . 1 1 181 181 GLY N N 15 109.594 0.2 . 1 . . . . 181 GLY N . 10052 1 715 . 1 1 182 182 GLN H H 1 8.111 0.01 . 1 . . . . 182 GLN H . 10052 1 716 . 1 1 182 182 GLN C C 13 173.131 0.3 . 1 . . . . 182 GLN C . 10052 1 717 . 1 1 182 182 GLN CA C 13 55.023 0.3 . 1 . . . . 182 GLN CA . 10052 1 718 . 1 1 182 182 GLN CB C 13 28.777 0.3 . 1 . . . . 182 GLN CB . 10052 1 719 . 1 1 182 182 GLN N N 15 119.708 0.2 . 1 . . . . 182 GLN N . 10052 1 720 . 1 1 183 183 VAL H H 1 8.297 0.01 . 1 . . . . 183 VAL H . 10052 1 721 . 1 1 183 183 VAL C C 13 171.442 0.3 . 1 . . . . 183 VAL C . 10052 1 722 . 1 1 183 183 VAL CA C 13 59.465 0.3 . 1 . . . . 183 VAL CA . 10052 1 723 . 1 1 183 183 VAL CB C 13 31.805 0.3 . 1 . . . . 183 VAL CB . 10052 1 724 . 1 1 183 183 VAL N N 15 123.883 0.2 . 1 . . . . 183 VAL N . 10052 1 725 . 1 1 188 188 SER C C 13 172.662 0.3 . 1 . . . . 188 SER C . 10052 1 726 . 1 1 188 188 SER CA C 13 57.515 0.3 . 1 . . . . 188 SER CA . 10052 1 727 . 1 1 188 188 SER CB C 13 63.978 0.3 . 1 . . . . 188 SER CB . 10052 1 728 . 1 1 189 189 TYR H H 1 9.267 0.01 . 1 . . . . 189 TYR H . 10052 1 729 . 1 1 189 189 TYR C C 13 174.175 0.3 . 1 . . . . 189 TYR C . 10052 1 730 . 1 1 189 189 TYR CA C 13 62.177 0.3 . 1 . . . . 189 TYR CA . 10052 1 731 . 1 1 189 189 TYR CB C 13 37.473 0.3 . 1 . . . . 189 TYR CB . 10052 1 732 . 1 1 189 189 TYR N N 15 124.43 0.2 . 1 . . . . 189 TYR N . 10052 1 733 . 1 1 190 190 GLU H H 1 8.492 0.01 . 1 . . . . 190 GLU H . 10052 1 734 . 1 1 190 190 GLU C C 13 175.898 0.3 . 1 . . . . 190 GLU C . 10052 1 735 . 1 1 190 190 GLU CA C 13 58.753 0.3 . 1 . . . . 190 GLU CA . 10052 1 736 . 1 1 190 190 GLU CB C 13 26.606 0.3 . 1 . . . . 190 GLU CB . 10052 1 737 . 1 1 190 190 GLU N N 15 114.865 0.2 . 1 . . . . 190 GLU N . 10052 1 738 . 1 1 191 191 MET H H 1 7.469 0.01 . 1 . . . . 191 MET H . 10052 1 739 . 1 1 191 191 MET C C 13 174.51 0.3 . 1 . . . . 191 MET C . 10052 1 740 . 1 1 191 191 MET CA C 13 58.731 0.3 . 1 . . . . 191 MET CA . 10052 1 741 . 1 1 191 191 MET CB C 13 32.687 0.3 . 1 . . . . 191 MET CB . 10052 1 742 . 1 1 191 191 MET N N 15 119.063 0.2 . 1 . . . . 191 MET N . 10052 1 743 . 1 1 192 192 GLU H H 1 7.49 0.01 . 1 . . . . 192 GLU H . 10052 1 744 . 1 1 192 192 GLU C C 13 174.637 0.3 . 1 . . . . 192 GLU C . 10052 1 745 . 1 1 192 192 GLU CA C 13 59.642 0.3 . 1 . . . . 192 GLU CA . 10052 1 746 . 1 1 192 192 GLU CB C 13 26.861 0.3 . 1 . . . . 192 GLU CB . 10052 1 747 . 1 1 192 192 GLU N N 15 118.943 0.2 . 1 . . . . 192 GLU N . 10052 1 748 . 1 1 193 193 LEU H H 1 7.951 0.01 . 1 . . . . 193 LEU H . 10052 1 749 . 1 1 193 193 LEU C C 13 175.933 0.3 . 1 . . . . 193 LEU C . 10052 1 750 . 1 1 193 193 LEU CA C 13 57.546 0.3 . 1 . . . . 193 LEU CA . 10052 1 751 . 1 1 193 193 LEU CB C 13 40.46 0.3 . 1 . . . . 193 LEU CB . 10052 1 752 . 1 1 193 193 LEU N N 15 118.163 0.2 . 1 . . . . 193 LEU N . 10052 1 753 . 1 1 194 194 GLU H H 1 7.875 0.01 . 1 . . . . 194 GLU H . 10052 1 754 . 1 1 194 194 GLU C C 13 174.937 0.3 . 1 . . . . 194 GLU C . 10052 1 755 . 1 1 194 194 GLU CA C 13 57.795 0.3 . 1 . . . . 194 GLU CA . 10052 1 756 . 1 1 194 194 GLU CB C 13 26.806 0.3 . 1 . . . . 194 GLU CB . 10052 1 757 . 1 1 194 194 GLU N N 15 117.142 0.2 . 1 . . . . 194 GLU N . 10052 1 758 . 1 1 195 195 ALA H H 1 8.323 0.01 . 1 . . . . 195 ALA H . 10052 1 759 . 1 1 195 195 ALA C C 13 176.282 0.3 . 1 . . . . 195 ALA C . 10052 1 760 . 1 1 195 195 ALA CA C 13 54.212 0.3 . 1 . . . . 195 ALA CA . 10052 1 761 . 1 1 195 195 ALA CB C 13 18.109 0.3 . 1 . . . . 195 ALA CB . 10052 1 762 . 1 1 195 195 ALA N N 15 119.988 0.2 . 1 . . . . 195 ALA N . 10052 1 763 . 1 1 196 196 VAL H H 1 7.449 0.01 . 1 . . . . 196 VAL H . 10052 1 764 . 1 1 196 196 VAL C C 13 174.676 0.3 . 1 . . . . 196 VAL C . 10052 1 765 . 1 1 196 196 VAL CA C 13 66.485 0.3 . 1 . . . . 196 VAL CA . 10052 1 766 . 1 1 196 196 VAL CB C 13 30.208 0.3 . 1 . . . . 196 VAL CB . 10052 1 767 . 1 1 196 196 VAL N N 15 116.07 0.2 . 1 . . . . 196 VAL N . 10052 1 768 . 1 1 197 197 LYS H H 1 8.001 0.01 . 1 . . . . 197 LYS H . 10052 1 769 . 1 1 197 197 LYS C C 13 175.987 0.3 . 1 . . . . 197 LYS C . 10052 1 770 . 1 1 197 197 LYS CA C 13 61.068 0.3 . 1 . . . . 197 LYS CA . 10052 1 771 . 1 1 197 197 LYS CB C 13 31.096 0.3 . 1 . . . . 197 LYS CB . 10052 1 772 . 1 1 197 197 LYS N N 15 119.18 0.2 . 1 . . . . 197 LYS N . 10052 1 773 . 1 1 198 198 VAL H H 1 8.614 0.01 . 1 . . . . 198 VAL H . 10052 1 774 . 1 1 198 198 VAL C C 13 174.578 0.3 . 1 . . . . 198 VAL C . 10052 1 775 . 1 1 198 198 VAL CA C 13 65.681 0.3 . 1 . . . . 198 VAL CA . 10052 1 776 . 1 1 198 198 VAL CB C 13 30.092 0.3 . 1 . . . . 198 VAL CB . 10052 1 777 . 1 1 198 198 VAL N N 15 119.435 0.2 . 1 . . . . 198 VAL N . 10052 1 778 . 1 1 199 199 ALA H H 1 7.824 0.01 . 1 . . . . 199 ALA H . 10052 1 779 . 1 1 199 199 ALA C C 13 175.751 0.3 . 1 . . . . 199 ALA C . 10052 1 780 . 1 1 199 199 ALA CA C 13 55.155 0.3 . 1 . . . . 199 ALA CA . 10052 1 781 . 1 1 199 199 ALA CB C 13 16.872 0.3 . 1 . . . . 199 ALA CB . 10052 1 782 . 1 1 199 199 ALA N N 15 120.41 0.2 . 1 . . . . 199 ALA N . 10052 1 783 . 1 1 200 200 ILE H H 1 7.873 0.01 . 1 . . . . 200 ILE H . 10052 1 784 . 1 1 200 200 ILE C C 13 174.118 0.3 . 1 . . . . 200 ILE C . 10052 1 785 . 1 1 200 200 ILE CA C 13 65.774 0.3 . 1 . . . . 200 ILE CA . 10052 1 786 . 1 1 200 200 ILE CB C 13 37.441 0.3 . 1 . . . . 200 ILE CB . 10052 1 787 . 1 1 200 200 ILE N N 15 115.2 0.2 . 1 . . . . 200 ILE N . 10052 1 788 . 1 1 201 201 GLU H H 1 8.252 0.01 . 1 . . . . 201 GLU H . 10052 1 789 . 1 1 201 201 GLU C C 13 176.264 0.3 . 1 . . . . 201 GLU C . 10052 1 790 . 1 1 201 201 GLU CA C 13 58.89 0.3 . 1 . . . . 201 GLU CA . 10052 1 791 . 1 1 201 201 GLU CB C 13 27.092 0.3 . 1 . . . . 201 GLU CB . 10052 1 792 . 1 1 201 201 GLU N N 15 117.484 0.2 . 1 . . . . 201 GLU N . 10052 1 793 . 1 1 202 202 VAL H H 1 8.53 0.01 . 1 . . . . 202 VAL H . 10052 1 794 . 1 1 202 202 VAL C C 13 175.439 0.3 . 1 . . . . 202 VAL C . 10052 1 795 . 1 1 202 202 VAL CA C 13 65.195 0.3 . 1 . . . . 202 VAL CA . 10052 1 796 . 1 1 202 202 VAL CB C 13 30.734 0.3 . 1 . . . . 202 VAL CB . 10052 1 797 . 1 1 202 202 VAL N N 15 118.757 0.2 . 1 . . . . 202 VAL N . 10052 1 798 . 1 1 203 203 ALA H H 1 7.884 0.01 . 1 . . . . 203 ALA H . 10052 1 799 . 1 1 203 203 ALA C C 13 175.691 0.3 . 1 . . . . 203 ALA C . 10052 1 800 . 1 1 203 203 ALA CA C 13 55.704 0.3 . 1 . . . . 203 ALA CA . 10052 1 801 . 1 1 203 203 ALA CB C 13 17.611 0.3 . 1 . . . . 203 ALA CB . 10052 1 802 . 1 1 203 203 ALA N N 15 121.902 0.2 . 1 . . . . 203 ALA N . 10052 1 803 . 1 1 204 204 LEU H H 1 8.378 0.01 . 1 . . . . 204 LEU H . 10052 1 804 . 1 1 204 204 LEU C C 13 176.77 0.3 . 1 . . . . 204 LEU C . 10052 1 805 . 1 1 204 204 LEU CA C 13 57.467 0.3 . 1 . . . . 204 LEU CA . 10052 1 806 . 1 1 204 204 LEU CB C 13 41.17 0.3 . 1 . . . . 204 LEU CB . 10052 1 807 . 1 1 204 204 LEU N N 15 115.775 0.2 . 1 . . . . 204 LEU N . 10052 1 808 . 1 1 205 205 GLU H H 1 7.666 0.01 . 1 . . . . 205 GLU H . 10052 1 809 . 1 1 205 205 GLU C C 13 175.167 0.3 . 1 . . . . 205 GLU C . 10052 1 810 . 1 1 205 205 GLU CA C 13 57.551 0.3 . 1 . . . . 205 GLU CA . 10052 1 811 . 1 1 205 205 GLU CB C 13 27.104 0.3 . 1 . . . . 205 GLU CB . 10052 1 812 . 1 1 205 205 GLU N N 15 116.462 0.2 . 1 . . . . 205 GLU N . 10052 1 813 . 1 1 206 206 GLU H H 1 7.535 0.01 . 1 . . . . 206 GLU H . 10052 1 814 . 1 1 206 206 GLU C C 13 173.794 0.3 . 1 . . . . 206 GLU C . 10052 1 815 . 1 1 206 206 GLU CA C 13 55.827 0.3 . 1 . . . . 206 GLU CA . 10052 1 816 . 1 1 206 206 GLU CB C 13 28.017 0.3 . 1 . . . . 206 GLU CB . 10052 1 817 . 1 1 206 206 GLU N N 15 115.6 0.2 . 1 . . . . 206 GLU N . 10052 1 818 . 1 1 207 207 LEU H H 1 7.574 0.01 . 1 . . . . 207 LEU H . 10052 1 819 . 1 1 207 207 LEU C C 13 174.347 0.3 . 1 . . . . 207 LEU C . 10052 1 820 . 1 1 207 207 LEU CA C 13 55.185 0.3 . 1 . . . . 207 LEU CA . 10052 1 821 . 1 1 207 207 LEU CB C 13 41.606 0.3 . 1 . . . . 207 LEU CB . 10052 1 822 . 1 1 207 207 LEU N N 15 119.733 0.2 . 1 . . . . 207 LEU N . 10052 1 823 . 1 1 208 208 LEU H H 1 7.627 0.01 . 1 . . . . 208 LEU H . 10052 1 824 . 1 1 208 208 LEU C C 13 176.342 0.3 . 1 . . . . 208 LEU C . 10052 1 825 . 1 1 208 208 LEU CA C 13 54.175 0.3 . 1 . . . . 208 LEU CA . 10052 1 826 . 1 1 208 208 LEU CB C 13 41.213 0.3 . 1 . . . . 208 LEU CB . 10052 1 827 . 1 1 208 208 LEU N N 15 121.551 0.2 . 1 . . . . 208 LEU N . 10052 1 stop_ save_ save_A199P_pH3.0_25C _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode A199P_pH3.0_25C _Assigned_chem_shift_list.Entry_ID 10052 _Assigned_chem_shift_list.ID 2 _Assigned_chem_shift_list.Sample_condition_list_ID 2 _Assigned_chem_shift_list.Sample_condition_list_label $condition_2 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $reference_1 _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 . _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 6 HSQC-NOESY-HSQC 2 $sample_2 isotropic 10052 2 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 2 2 LYS H H 1 9.86 0.01 . 1 . . . . 2 LYS H . 10052 2 2 . 1 1 2 2 LYS N N 15 123.599 0.2 . 1 . . . . 2 LYS N . 10052 2 3 . 1 1 3 3 VAL H H 1 9.192 0.01 . 1 . . . . 3 VAL H . 10052 2 4 . 1 1 3 3 VAL N N 15 123.217 0.2 . 1 . . . . 3 VAL N . 10052 2 5 . 1 1 4 4 LEU H H 1 8.969 0.01 . 1 . . . . 4 LEU H . 10052 2 6 . 1 1 4 4 LEU N N 15 127.988 0.2 . 1 . . . . 4 LEU N . 10052 2 7 . 1 1 5 5 VAL H H 1 9.35 0.01 . 1 . . . . 5 VAL H . 10052 2 8 . 1 1 5 5 VAL N N 15 127.624 0.2 . 1 . . . . 5 VAL N . 10052 2 9 . 1 1 6 6 THR H H 1 8.236 0.01 . 1 . . . . 6 THR H . 10052 2 10 . 1 1 6 6 THR N N 15 112.423 0.2 . 1 . . . . 6 THR N . 10052 2 11 . 1 1 7 7 GLY H H 1 7.5 0.01 . 1 . . . . 7 GLY H . 10052 2 12 . 1 1 7 7 GLY N N 15 107.39 0.2 . 1 . . . . 7 GLY N . 10052 2 13 . 1 1 11 11 PHE H H 1 7.527 0.01 . 1 . . . . 11 PHE H . 10052 2 14 . 1 1 11 11 PHE N N 15 119.126 0.2 . 1 . . . . 11 PHE N . 10052 2 15 . 1 1 12 12 GLY H H 1 8.638 0.01 . 1 . . . . 12 GLY H . 10052 2 16 . 1 1 12 12 GLY N N 15 109.65 0.2 . 1 . . . . 12 GLY N . 10052 2 17 . 1 1 13 13 GLY H H 1 8.61 0.01 . 1 . . . . 13 GLY H . 10052 2 18 . 1 1 13 13 GLY N N 15 110.539 0.2 . 1 . . . . 13 GLY N . 10052 2 19 . 1 1 14 14 GLU H H 1 7.544 0.01 . 1 . . . . 14 GLU H . 10052 2 20 . 1 1 14 14 GLU N N 15 119.317 0.2 . 1 . . . . 14 GLU N . 10052 2 21 . 1 1 15 15 LYS H H 1 8.497 0.01 . 1 . . . . 15 LYS H . 10052 2 22 . 1 1 15 15 LYS N N 15 121.009 0.2 . 1 . . . . 15 LYS N . 10052 2 23 . 1 1 16 16 ILE H H 1 7.984 0.01 . 1 . . . . 16 ILE H . 10052 2 24 . 1 1 16 16 ILE N N 15 116.232 0.2 . 1 . . . . 16 ILE N . 10052 2 25 . 1 1 17 17 ASN H H 1 8.307 0.01 . 1 . . . . 17 ASN H . 10052 2 26 . 1 1 17 17 ASN N N 15 121.463 0.2 . 1 . . . . 17 ASN N . 10052 2 27 . 1 1 19 19 THR H H 1 8.459 0.01 . 1 . . . . 19 THR H . 10052 2 28 . 1 1 19 19 THR N N 15 107.39 0.2 . 1 . . . . 19 THR N . 10052 2 29 . 1 1 20 20 GLU H H 1 7.318 0.01 . 1 . . . . 20 GLU H . 10052 2 30 . 1 1 20 20 GLU N N 15 124.849 0.2 . 1 . . . . 20 GLU N . 10052 2 31 . 1 1 21 21 ARG H H 1 6.742 0.01 . 1 . . . . 21 ARG H . 10052 2 32 . 1 1 21 21 ARG N N 15 118.557 0.2 . 1 . . . . 21 ARG N . 10052 2 33 . 1 1 22 22 ILE H H 1 8.139 0.01 . 1 . . . . 22 ILE H . 10052 2 34 . 1 1 22 22 ILE N N 15 119.472 0.2 . 1 . . . . 22 ILE N . 10052 2 35 . 1 1 23 23 ALA H H 1 7.21 0.01 . 1 . . . . 23 ALA H . 10052 2 36 . 1 1 23 23 ALA N N 15 118.651 0.2 . 1 . . . . 23 ALA N . 10052 2 37 . 1 1 24 24 LYS H H 1 7.449 0.01 . 1 . . . . 24 LYS H . 10052 2 38 . 1 1 24 24 LYS N N 15 114.032 0.2 . 1 . . . . 24 LYS N . 10052 2 39 . 1 1 25 25 ASP H H 1 8.697 0.01 . 1 . . . . 25 ASP H . 10052 2 40 . 1 1 25 25 ASP N N 15 119.715 0.2 . 1 . . . . 25 ASP N . 10052 2 41 . 1 1 26 26 LEU H H 1 7.602 0.01 . 1 . . . . 26 LEU H . 10052 2 42 . 1 1 26 26 LEU N N 15 117.256 0.2 . 1 . . . . 26 LEU N . 10052 2 43 . 1 1 27 27 ASP H H 1 6.998 0.01 . 1 . . . . 27 ASP H . 10052 2 44 . 1 1 27 27 ASP N N 15 116.947 0.2 . 1 . . . . 27 ASP N . 10052 2 45 . 1 1 28 28 GLY H H 1 8.464 0.01 . 1 . . . . 28 GLY H . 10052 2 46 . 1 1 28 28 GLY N N 15 114.836 0.2 . 1 . . . . 28 GLY N . 10052 2 47 . 1 1 29 29 ILE H H 1 7.265 0.01 . 1 . . . . 29 ILE H . 10052 2 48 . 1 1 29 29 ILE N N 15 117.028 0.2 . 1 . . . . 29 ILE N . 10052 2 49 . 1 1 30 30 LYS H H 1 8.012 0.01 . 1 . . . . 30 LYS H . 10052 2 50 . 1 1 30 30 LYS N N 15 119.907 0.2 . 1 . . . . 30 LYS N . 10052 2 51 . 1 1 31 31 ILE H H 1 7.988 0.01 . 1 . . . . 31 ILE H . 10052 2 52 . 1 1 31 31 ILE N N 15 123.968 0.2 . 1 . . . . 31 ILE N . 10052 2 53 . 1 1 32 32 GLY H H 1 8.747 0.01 . 1 . . . . 32 GLY H . 10052 2 54 . 1 1 32 32 GLY N N 15 116.601 0.2 . 1 . . . . 32 GLY N . 10052 2 55 . 1 1 33 33 ASP H H 1 8.545 0.01 . 1 . . . . 33 ASP H . 10052 2 56 . 1 1 33 33 ASP N N 15 123.147 0.2 . 1 . . . . 33 ASP N . 10052 2 57 . 1 1 34 34 ALA H H 1 8.369 0.01 . 1 . . . . 34 ALA H . 10052 2 58 . 1 1 34 34 ALA N N 15 123.813 0.2 . 1 . . . . 34 ALA N . 10052 2 59 . 1 1 35 35 GLN H H 1 7.851 0.01 . 1 . . . . 35 GLN H . 10052 2 60 . 1 1 35 35 GLN N N 15 120.484 0.2 . 1 . . . . 35 GLN N . 10052 2 61 . 1 1 36 36 VAL H H 1 8.336 0.01 . 1 . . . . 36 VAL H . 10052 2 62 . 1 1 36 36 VAL N N 15 124.735 0.2 . 1 . . . . 36 VAL N . 10052 2 63 . 1 1 37 37 PHE H H 1 9.385 0.01 . 1 . . . . 37 PHE H . 10052 2 64 . 1 1 37 37 PHE N N 15 127.55 0.2 . 1 . . . . 37 PHE N . 10052 2 65 . 1 1 38 38 GLY H H 1 9.876 0.01 . 1 . . . . 38 GLY H . 10052 2 66 . 1 1 38 38 GLY N N 15 112.124 0.2 . 1 . . . . 38 GLY N . 10052 2 67 . 1 1 39 39 ARG H H 1 8.663 0.01 . 1 . . . . 39 ARG H . 10052 2 68 . 1 1 39 39 ARG N N 15 124.055 0.2 . 1 . . . . 39 ARG N . 10052 2 69 . 1 1 40 40 VAL H H 1 8.568 0.01 . 1 . . . . 40 VAL H . 10052 2 70 . 1 1 40 40 VAL N N 15 120.929 0.2 . 1 . . . . 40 VAL N . 10052 2 71 . 1 1 41 41 LEU H H 1 9.051 0.01 . 1 . . . . 41 LEU H . 10052 2 72 . 1 1 41 41 LEU N N 15 127.403 0.2 . 1 . . . . 41 LEU N . 10052 2 73 . 1 1 43 43 VAL H H 1 7.675 0.01 . 1 . . . . 43 VAL H . 10052 2 74 . 1 1 43 43 VAL N N 15 104.526 0.2 . 1 . . . . 43 VAL N . 10052 2 75 . 1 1 44 44 VAL H H 1 6.6 0.01 . 1 . . . . 44 VAL H . 10052 2 76 . 1 1 44 44 VAL N N 15 118.437 0.2 . 1 . . . . 44 VAL N . 10052 2 77 . 1 1 45 45 PHE H H 1 8.412 0.01 . 1 . . . . 45 PHE H . 10052 2 78 . 1 1 45 45 PHE N N 15 126.159 0.2 . 1 . . . . 45 PHE N . 10052 2 79 . 1 1 46 46 GLY H H 1 8.836 0.01 . 1 . . . . 46 GLY H . 10052 2 80 . 1 1 46 46 GLY N N 15 106.009 0.2 . 1 . . . . 46 GLY N . 10052 2 81 . 1 1 47 47 LYS H H 1 6.976 0.01 . 1 . . . . 47 LYS H . 10052 2 82 . 1 1 47 47 LYS N N 15 119.554 0.2 . 1 . . . . 47 LYS N . 10052 2 83 . 1 1 48 48 ALA H H 1 8.664 0.01 . 1 . . . . 48 ALA H . 10052 2 84 . 1 1 48 48 ALA N N 15 122.175 0.2 . 1 . . . . 48 ALA N . 10052 2 85 . 1 1 49 49 LYS H H 1 8.254 0.01 . 1 . . . . 49 LYS H . 10052 2 86 . 1 1 49 49 LYS N N 15 116.116 0.2 . 1 . . . . 49 LYS N . 10052 2 87 . 1 1 50 50 GLU H H 1 7.442 0.01 . 1 . . . . 50 GLU H . 10052 2 88 . 1 1 50 50 GLU N N 15 117.226 0.2 . 1 . . . . 50 GLU N . 10052 2 89 . 1 1 51 51 VAL H H 1 8.626 0.01 . 1 . . . . 51 VAL H . 10052 2 90 . 1 1 51 51 VAL N N 15 118.233 0.2 . 1 . . . . 51 VAL N . 10052 2 91 . 1 1 52 52 LEU H H 1 8.898 0.01 . 1 . . . . 52 LEU H . 10052 2 92 . 1 1 52 52 LEU N N 15 123.658 0.2 . 1 . . . . 52 LEU N . 10052 2 93 . 1 1 53 53 GLU H H 1 8.471 0.01 . 1 . . . . 53 GLU H . 10052 2 94 . 1 1 53 53 GLU N N 15 116.428 0.2 . 1 . . . . 53 GLU N . 10052 2 95 . 1 1 54 54 LYS H H 1 7.868 0.01 . 1 . . . . 54 LYS H . 10052 2 96 . 1 1 54 54 LYS N N 15 117.977 0.2 . 1 . . . . 54 LYS N . 10052 2 97 . 1 1 55 55 THR H H 1 8.221 0.01 . 1 . . . . 55 THR H . 10052 2 98 . 1 1 55 55 THR N N 15 115.446 0.2 . 1 . . . . 55 THR N . 10052 2 99 . 1 1 56 56 LEU H H 1 8.402 0.01 . 1 . . . . 56 LEU H . 10052 2 100 . 1 1 56 56 LEU N N 15 119.731 0.2 . 1 . . . . 56 LEU N . 10052 2 101 . 1 1 57 57 GLU H H 1 7.764 0.01 . 1 . . . . 57 GLU H . 10052 2 102 . 1 1 57 57 GLU N N 15 116.534 0.2 . 1 . . . . 57 GLU N . 10052 2 103 . 1 1 58 58 GLU H H 1 8.027 0.01 . 1 . . . . 58 GLU H . 10052 2 104 . 1 1 58 58 GLU N N 15 117.948 0.2 . 1 . . . . 58 GLU N . 10052 2 105 . 1 1 59 59 ILE H H 1 7.722 0.01 . 1 . . . . 59 ILE H . 10052 2 106 . 1 1 59 59 ILE N N 15 116.448 0.2 . 1 . . . . 59 ILE N . 10052 2 107 . 1 1 60 60 LYS H H 1 7.655 0.01 . 1 . . . . 60 LYS H . 10052 2 108 . 1 1 60 60 LYS N N 15 112.81 0.2 . 1 . . . . 60 LYS N . 10052 2 109 . 1 1 62 62 ASP H H 1 8.461 0.01 . 1 . . . . 62 ASP H . 10052 2 110 . 1 1 62 62 ASP N N 15 117.217 0.2 . 1 . . . . 62 ASP N . 10052 2 111 . 1 1 63 63 ILE H H 1 7.467 0.01 . 1 . . . . 63 ILE H . 10052 2 112 . 1 1 63 63 ILE N N 15 115.765 0.2 . 1 . . . . 63 ILE N . 10052 2 113 . 1 1 64 64 ALA H H 1 8.639 0.01 . 1 . . . . 64 ALA H . 10052 2 114 . 1 1 64 64 ALA N N 15 129.543 0.2 . 1 . . . . 64 ALA N . 10052 2 115 . 1 1 65 65 ILE H H 1 8.683 0.01 . 1 . . . . 65 ILE H . 10052 2 116 . 1 1 65 65 ILE N N 15 120.903 0.2 . 1 . . . . 65 ILE N . 10052 2 117 . 1 1 66 66 HIS H H 1 7.933 0.01 . 1 . . . . 66 HIS H . 10052 2 118 . 1 1 66 66 HIS N N 15 126.54 0.2 . 1 . . . . 66 HIS N . 10052 2 119 . 1 1 72 72 GLY H H 1 8.271 0.01 . 1 . . . . 72 GLY H . 10052 2 120 . 1 1 72 72 GLY N N 15 108.923 0.2 . 1 . . . . 72 GLY N . 10052 2 121 . 1 1 73 73 ARG H H 1 7.576 0.01 . 1 . . . . 73 ARG H . 10052 2 122 . 1 1 73 73 ARG N N 15 118.536 0.2 . 1 . . . . 73 ARG N . 10052 2 123 . 1 1 74 74 SER H H 1 8.745 0.01 . 1 . . . . 74 SER H . 10052 2 124 . 1 1 74 74 SER N N 15 113.386 0.2 . 1 . . . . 74 SER N . 10052 2 125 . 1 1 75 75 ALA H H 1 7.407 0.01 . 1 . . . . 75 ALA H . 10052 2 126 . 1 1 75 75 ALA N N 15 122.845 0.2 . 1 . . . . 75 ALA N . 10052 2 127 . 1 1 79 79 GLU H H 1 8.18 0.01 . 1 . . . . 79 GLU H . 10052 2 128 . 1 1 79 79 GLU N N 15 124.75 0.2 . 1 . . . . 79 GLU N . 10052 2 129 . 1 1 80 80 ARG H H 1 9.048 0.01 . 1 . . . . 80 ARG H . 10052 2 130 . 1 1 80 80 ARG N N 15 124.254 0.2 . 1 . . . . 80 ARG N . 10052 2 131 . 1 1 83 83 VAL H H 1 9.257 0.01 . 1 . . . . 83 VAL H . 10052 2 132 . 1 1 83 83 VAL N N 15 117.184 0.2 . 1 . . . . 83 VAL N . 10052 2 133 . 1 1 93 93 ASN H H 1 8.288 0.01 . 1 . . . . 93 ASN H . 10052 2 134 . 1 1 93 93 ASN N N 15 117.932 0.2 . 1 . . . . 93 ASN N . 10052 2 135 . 1 1 94 94 GLU H H 1 8.248 0.01 . 1 . . . . 94 GLU H . 10052 2 136 . 1 1 94 94 GLU N N 15 119.017 0.2 . 1 . . . . 94 GLU N . 10052 2 137 . 1 1 95 95 GLY H H 1 8.247 0.01 . 1 . . . . 95 GLY H . 10052 2 138 . 1 1 95 95 GLY N N 15 108.743 0.2 . 1 . . . . 95 GLY N . 10052 2 139 . 1 1 96 96 LYS H H 1 7.993 0.01 . 1 . . . . 96 LYS H . 10052 2 140 . 1 1 96 96 LYS N N 15 120.048 0.2 . 1 . . . . 96 LYS N . 10052 2 141 . 1 1 97 97 LYS H H 1 8.186 0.01 . 1 . . . . 97 LYS H . 10052 2 142 . 1 1 97 97 LYS N N 15 121.605 0.2 . 1 . . . . 97 LYS N . 10052 2 143 . 1 1 98 98 ILE H H 1 8.062 0.01 . 1 . . . . 98 ILE H . 10052 2 144 . 1 1 98 98 ILE N N 15 122.439 0.2 . 1 . . . . 98 ILE N . 10052 2 145 . 1 1 99 99 GLU H H 1 8.328 0.01 . 1 . . . . 99 GLU H . 10052 2 146 . 1 1 99 99 GLU N N 15 124.455 0.2 . 1 . . . . 99 GLU N . 10052 2 147 . 1 1 100 100 ASP H H 1 8.244 0.01 . 1 . . . . 100 ASP H . 10052 2 148 . 1 1 100 100 ASP N N 15 120.651 0.2 . 1 . . . . 100 ASP N . 10052 2 149 . 1 1 104 104 VAL H H 1 8.474 0.01 . 1 . . . . 104 VAL H . 10052 2 150 . 1 1 104 104 VAL N N 15 117.104 0.2 . 1 . . . . 104 VAL N . 10052 2 151 . 1 1 106 106 GLY H H 1 8.945 0.01 . 1 . . . . 106 GLY H . 10052 2 152 . 1 1 106 106 GLY N N 15 113.524 0.2 . 1 . . . . 106 GLY N . 10052 2 153 . 1 1 107 107 ALA H H 1 7.153 0.01 . 1 . . . . 107 ALA H . 10052 2 154 . 1 1 107 107 ALA N N 15 123.835 0.2 . 1 . . . . 107 ALA N . 10052 2 155 . 1 1 109 109 THR H H 1 8.587 0.01 . 1 . . . . 109 THR H . 10052 2 156 . 1 1 109 109 THR N N 15 117.207 0.2 . 1 . . . . 109 THR N . 10052 2 157 . 1 1 110 110 ALA H H 1 7.334 0.01 . 1 . . . . 110 ALA H . 10052 2 158 . 1 1 110 110 ALA N N 15 118.7 0.2 . 1 . . . . 110 ALA N . 10052 2 159 . 1 1 111 111 TYR H H 1 8.688 0.01 . 1 . . . . 111 TYR H . 10052 2 160 . 1 1 111 111 TYR N N 15 115.457 0.2 . 1 . . . . 111 TYR N . 10052 2 161 . 1 1 112 112 PHE H H 1 8.658 0.01 . 1 . . . . 112 PHE H . 10052 2 162 . 1 1 112 112 PHE N N 15 118.967 0.2 . 1 . . . . 112 PHE N . 10052 2 163 . 1 1 113 113 SER H H 1 8.398 0.01 . 1 . . . . 113 SER H . 10052 2 164 . 1 1 113 113 SER N N 15 112.052 0.2 . 1 . . . . 113 SER N . 10052 2 165 . 1 1 114 114 THR H H 1 8.085 0.01 . 1 . . . . 114 THR H . 10052 2 166 . 1 1 114 114 THR N N 15 114.753 0.2 . 1 . . . . 114 THR N . 10052 2 167 . 1 1 115 115 LEU H H 1 7.375 0.01 . 1 . . . . 115 LEU H . 10052 2 168 . 1 1 115 115 LEU N N 15 118.598 0.2 . 1 . . . . 115 LEU N . 10052 2 169 . 1 1 118 118 LYS H H 1 8.289 0.01 . 1 . . . . 118 LYS H . 10052 2 170 . 1 1 118 118 LYS N N 15 120.839 0.2 . 1 . . . . 118 LYS N . 10052 2 171 . 1 1 121 121 MET H H 1 8.355 0.01 . 1 . . . . 121 MET H . 10052 2 172 . 1 1 121 121 MET N N 15 117.853 0.2 . 1 . . . . 121 MET N . 10052 2 173 . 1 1 124 124 LEU H H 1 8.572 0.01 . 1 . . . . 124 LEU H . 10052 2 174 . 1 1 124 124 LEU N N 15 118.778 0.2 . 1 . . . . 124 LEU N . 10052 2 175 . 1 1 125 125 HIS H H 1 8.048 0.01 . 1 . . . . 125 HIS H . 10052 2 176 . 1 1 125 125 HIS N N 15 116.428 0.2 . 1 . . . . 125 HIS N . 10052 2 177 . 1 1 126 126 GLU H H 1 8.256 0.01 . 1 . . . . 126 GLU H . 10052 2 178 . 1 1 126 126 GLU N N 15 121.39 0.2 . 1 . . . . 126 GLU N . 10052 2 179 . 1 1 127 127 ARG H H 1 7.5 0.01 . 1 . . . . 127 ARG H . 10052 2 180 . 1 1 127 127 ARG N N 15 115.844 0.2 . 1 . . . . 127 ARG N . 10052 2 181 . 1 1 128 128 GLY H H 1 7.806 0.01 . 1 . . . . 128 GLY H . 10052 2 182 . 1 1 128 128 GLY N N 15 108.194 0.2 . 1 . . . . 128 GLY N . 10052 2 183 . 1 1 129 129 ILE H H 1 7.83 0.01 . 1 . . . . 129 ILE H . 10052 2 184 . 1 1 129 129 ILE N N 15 122.308 0.2 . 1 . . . . 129 ILE N . 10052 2 185 . 1 1 132 132 TYR H H 1 8.578 0.01 . 1 . . . . 132 TYR H . 10052 2 186 . 1 1 132 132 TYR N N 15 117.69 0.2 . 1 . . . . 132 TYR N . 10052 2 187 . 1 1 133 133 ILE H H 1 8.624 0.01 . 1 . . . . 133 ILE H . 10052 2 188 . 1 1 133 133 ILE N N 15 120.244 0.2 . 1 . . . . 133 ILE N . 10052 2 189 . 1 1 134 134 SER H H 1 8.538 0.01 . 1 . . . . 134 SER H . 10052 2 190 . 1 1 134 134 SER N N 15 122.787 0.2 . 1 . . . . 134 SER N . 10052 2 191 . 1 1 135 135 ASN H H 1 8.774 0.01 . 1 . . . . 135 ASN H . 10052 2 192 . 1 1 135 135 ASN N N 15 123.897 0.2 . 1 . . . . 135 ASN N . 10052 2 193 . 1 1 137 137 ALA H H 1 8.86 0.01 . 1 . . . . 137 ALA H . 10052 2 194 . 1 1 137 137 ALA N N 15 128.774 0.2 . 1 . . . . 137 ALA N . 10052 2 195 . 1 1 144 144 TYR H H 1 7.832 0.01 . 1 . . . . 144 TYR H . 10052 2 196 . 1 1 144 144 TYR N N 15 119.538 0.2 . 1 . . . . 144 TYR N . 10052 2 197 . 1 1 145 145 VAL H H 1 7.936 0.01 . 1 . . . . 145 VAL H . 10052 2 198 . 1 1 145 145 VAL N N 15 116.167 0.2 . 1 . . . . 145 VAL N . 10052 2 199 . 1 1 146 146 MET H H 1 8.183 0.01 . 1 . . . . 146 MET H . 10052 2 200 . 1 1 146 146 MET N N 15 118.615 0.2 . 1 . . . . 146 MET N . 10052 2 201 . 1 1 147 147 TYR H H 1 9.133 0.01 . 1 . . . . 147 TYR H . 10052 2 202 . 1 1 147 147 TYR N N 15 118.332 0.2 . 1 . . . . 147 TYR N . 10052 2 203 . 1 1 148 148 LEU H H 1 8.127 0.01 . 1 . . . . 148 LEU H . 10052 2 204 . 1 1 148 148 LEU N N 15 117.852 0.2 . 1 . . . . 148 LEU N . 10052 2 205 . 1 1 150 150 LEU H H 1 7.463 0.01 . 1 . . . . 150 LEU H . 10052 2 206 . 1 1 150 150 LEU N N 15 118.748 0.2 . 1 . . . . 150 LEU N . 10052 2 207 . 1 1 151 151 HIS H H 1 8.924 0.01 . 1 . . . . 151 HIS H . 10052 2 208 . 1 1 151 151 HIS N N 15 120.127 0.2 . 1 . . . . 151 HIS N . 10052 2 209 . 1 1 153 153 SER H H 1 7.681 0.01 . 1 . . . . 153 SER H . 10052 2 210 . 1 1 153 153 SER N N 15 112.859 0.2 . 1 . . . . 153 SER N . 10052 2 211 . 1 1 154 154 ALA H H 1 7.351 0.01 . 1 . . . . 154 ALA H . 10052 2 212 . 1 1 154 154 ALA N N 15 120.209 0.2 . 1 . . . . 154 ALA N . 10052 2 213 . 1 1 155 155 THR H H 1 7.294 0.01 . 1 . . . . 155 THR H . 10052 2 214 . 1 1 155 155 THR N N 15 104.928 0.2 . 1 . . . . 155 THR N . 10052 2 215 . 1 1 156 156 LYS H H 1 7.942 0.01 . 1 . . . . 156 LYS H . 10052 2 216 . 1 1 156 156 LYS N N 15 118.031 0.2 . 1 . . . . 156 LYS N . 10052 2 217 . 1 1 157 157 GLY H H 1 7.454 0.01 . 1 . . . . 157 GLY H . 10052 2 218 . 1 1 157 157 GLY N N 15 106.588 0.2 . 1 . . . . 157 GLY N . 10052 2 219 . 1 1 158 158 TYR H H 1 6.668 0.01 . 1 . . . . 158 TYR H . 10052 2 220 . 1 1 158 158 TYR N N 15 113.382 0.2 . 1 . . . . 158 TYR N . 10052 2 221 . 1 1 160 160 LYS H H 1 8.631 0.01 . 1 . . . . 160 LYS H . 10052 2 222 . 1 1 160 160 LYS N N 15 124.969 0.2 . 1 . . . . 160 LYS N . 10052 2 223 . 1 1 161 161 MET H H 1 7.326 0.01 . 1 . . . . 161 MET H . 10052 2 224 . 1 1 161 161 MET N N 15 113.078 0.2 . 1 . . . . 161 MET N . 10052 2 225 . 1 1 163 163 GLY H H 1 7.868 0.01 . 1 . . . . 163 GLY H . 10052 2 226 . 1 1 163 163 GLY N N 15 112.457 0.2 . 1 . . . . 163 GLY N . 10052 2 227 . 1 1 164 164 PHE H H 1 8.886 0.01 . 1 . . . . 164 PHE H . 10052 2 228 . 1 1 164 164 PHE N N 15 121.186 0.2 . 1 . . . . 164 PHE N . 10052 2 229 . 1 1 165 165 ILE H H 1 8.589 0.01 . 1 . . . . 165 ILE H . 10052 2 230 . 1 1 165 165 ILE N N 15 127.836 0.2 . 1 . . . . 165 ILE N . 10052 2 231 . 1 1 166 166 HIS H H 1 9.425 0.01 . 1 . . . . 166 HIS H . 10052 2 232 . 1 1 166 166 HIS N N 15 122.345 0.2 . 1 . . . . 166 HIS N . 10052 2 233 . 1 1 167 167 VAL H H 1 9.112 0.01 . 1 . . . . 167 VAL H . 10052 2 234 . 1 1 167 167 VAL N N 15 115.217 0.2 . 1 . . . . 167 VAL N . 10052 2 235 . 1 1 178 178 ILE H H 1 7.661 0.01 . 1 . . . . 178 ILE H . 10052 2 236 . 1 1 178 178 ILE N N 15 120.238 0.2 . 1 . . . . 178 ILE N . 10052 2 237 . 1 1 179 179 GLY H H 1 8.475 0.01 . 1 . . . . 179 GLY H . 10052 2 238 . 1 1 179 179 GLY N N 15 113.14 0.2 . 1 . . . . 179 GLY N . 10052 2 239 . 1 1 180 180 LYS H H 1 8.106 0.01 . 1 . . . . 180 LYS H . 10052 2 240 . 1 1 180 180 LYS N N 15 120.439 0.2 . 1 . . . . 180 LYS N . 10052 2 241 . 1 1 181 181 GLY H H 1 8.224 0.01 . 1 . . . . 181 GLY H . 10052 2 242 . 1 1 181 181 GLY N N 15 109.252 0.2 . 1 . . . . 181 GLY N . 10052 2 243 . 1 1 182 182 GLN H H 1 8.139 0.01 . 1 . . . . 182 GLN H . 10052 2 244 . 1 1 182 182 GLN N N 15 119.896 0.2 . 1 . . . . 182 GLN N . 10052 2 245 . 1 1 183 183 VAL H H 1 8.349 0.01 . 1 . . . . 183 VAL H . 10052 2 246 . 1 1 183 183 VAL N N 15 124.368 0.2 . 1 . . . . 183 VAL N . 10052 2 247 . 1 1 189 189 TYR H H 1 9.35 0.01 . 1 . . . . 189 TYR H . 10052 2 248 . 1 1 189 189 TYR N N 15 124.651 0.2 . 1 . . . . 189 TYR N . 10052 2 249 . 1 1 190 190 GLU H H 1 8.548 0.01 . 1 . . . . 190 GLU H . 10052 2 250 . 1 1 190 190 GLU N N 15 114.725 0.2 . 1 . . . . 190 GLU N . 10052 2 251 . 1 1 191 191 MET H H 1 7.432 0.01 . 1 . . . . 191 MET H . 10052 2 252 . 1 1 191 191 MET N N 15 119.108 0.2 . 1 . . . . 191 MET N . 10052 2 253 . 1 1 192 192 GLU H H 1 7.664 0.01 . 1 . . . . 192 GLU H . 10052 2 254 . 1 1 192 192 GLU N N 15 118.907 0.2 . 1 . . . . 192 GLU N . 10052 2 255 . 1 1 193 193 LEU H H 1 7.94 0.01 . 1 . . . . 193 LEU H . 10052 2 256 . 1 1 193 193 LEU N N 15 117.101 0.2 . 1 . . . . 193 LEU N . 10052 2 257 . 1 1 196 196 VAL H H 1 8.101 0.01 . 1 . . . . 196 VAL H . 10052 2 258 . 1 1 196 196 VAL N N 15 116.616 0.2 . 1 . . . . 196 VAL N . 10052 2 259 . 1 1 197 197 LYS H H 1 7.783 0.01 . 1 . . . . 197 LYS H . 10052 2 260 . 1 1 197 197 LYS N N 15 118.82 0.2 . 1 . . . . 197 LYS N . 10052 2 261 . 1 1 198 198 VAL H H 1 7.09 0.01 . 1 . . . . 198 VAL H . 10052 2 262 . 1 1 198 198 VAL N N 15 112.787 0.2 . 1 . . . . 198 VAL N . 10052 2 263 . 1 1 201 201 GLU H H 1 8.269 0.01 . 1 . . . . 201 GLU H . 10052 2 264 . 1 1 201 201 GLU N N 15 118.733 0.2 . 1 . . . . 201 GLU N . 10052 2 265 . 1 1 202 202 VAL H H 1 8.438 0.01 . 1 . . . . 202 VAL H . 10052 2 266 . 1 1 202 202 VAL N N 15 117.843 0.2 . 1 . . . . 202 VAL N . 10052 2 267 . 1 1 203 203 ALA H H 1 8.154 0.01 . 1 . . . . 203 ALA H . 10052 2 268 . 1 1 203 203 ALA N N 15 121.909 0.2 . 1 . . . . 203 ALA N . 10052 2 269 . 1 1 204 204 LEU H H 1 8.1 0.01 . 1 . . . . 204 LEU H . 10052 2 270 . 1 1 204 204 LEU N N 15 115.809 0.2 . 1 . . . . 204 LEU N . 10052 2 271 . 1 1 205 205 GLU H H 1 7.488 0.01 . 1 . . . . 205 GLU H . 10052 2 272 . 1 1 205 205 GLU N N 15 116.276 0.2 . 1 . . . . 205 GLU N . 10052 2 273 . 1 1 206 206 GLU H H 1 7.561 0.01 . 1 . . . . 206 GLU H . 10052 2 274 . 1 1 206 206 GLU N N 15 116.142 0.2 . 1 . . . . 206 GLU N . 10052 2 275 . 1 1 207 207 LEU H H 1 7.568 0.01 . 1 . . . . 207 LEU H . 10052 2 276 . 1 1 207 207 LEU N N 15 118.98 0.2 . 1 . . . . 207 LEU N . 10052 2 277 . 1 1 208 208 LEU H H 1 7.516 0.01 . 1 . . . . 208 LEU H . 10052 2 278 . 1 1 208 208 LEU N N 15 122.82 0.2 . 1 . . . . 208 LEU N . 10052 2 stop_ save_