data_15230 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 15230 _Entry.Title ; 1H, 13C and 15N resonance assignments for the small GTPase RalB in its active conformation ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2007-04-30 _Entry.Accession_date 2007-04-30 _Entry.Last_release_date 2007-04-30 _Entry.Original_release_date 2007-04-30 _Entry.Origination author _Entry.Format_name . _Entry.NMR_STAR_version 3.2.0.16 _Entry.Original_NMR_STAR_version 3.2.0.10 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype solution _Entry.Source_data_format . _Entry.Source_data_format_version . _Entry.Generated_software_name . _Entry.Generated_software_version . _Entry.Generated_software_ID . _Entry.Generated_software_label . _Entry.Generated_date . _Entry.DOI . _Entry.UUID . _Entry.Related_coordinate_file_name . _Entry.Details . 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.ORCID _Entry_author.Entry_ID 1 Sunil Prasannan . . . . 15230 2 R. Fenwick . Bryn . . 15230 3 Louise Campbell . J. . . 15230 4 Katrina Evetts . . . . 15230 5 Daniel Nietlispach . . . . 15230 6 Darerca Owen . . . . 15230 7 Helen Mott . R. . . 15230 stop_ loop_ _Entry_src.ID _Entry_src.Project_name _Entry_src.Organization_full_name _Entry_src.Organization_initials _Entry_src.Entry_ID 1 . 'G-protein lab, Department of Biochemistry; University of Cambridge' . 15230 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 15230 heteronucl_NOEs 1 15230 heteronucl_T1_relaxation 1 15230 heteronucl_T2_relaxation 1 15230 order_parameters 1 15230 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 776 15230 '15N chemical shifts' 178 15230 '1H chemical shifts' 1243 15230 'T1 relaxation values' 127 15230 'T2 relaxation values' 127 15230 'heteronuclear NOE values' 127 15230 'order parameters' 127 15230 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 5 . . 2011-03-28 2011-03-28 update BMRB ; added tags for tau e, f, and s units to order parameter save frame exchange values for atom_ID in the heteronuclear NOE save frame ; 15230 4 . . 2009-08-31 2007-04-30 update BMRB 'correct entry citation' 15230 3 . . 2009-02-04 2007-04-30 update BMRB 'Correction of residue number in S2 table' 15230 2 . . 2008-10-16 2007-04-30 update BMRB 'complete entry citation' 15230 1 . . 2007-08-22 2007-04-30 original author 'original release' 15230 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 15230 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 19636851 _Citation.Full_citation . _Citation.Title ; 1H, 13C and 15N resonance assignments for the small G protein RalB in its active conformation ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'Biomol. NMR Assignments' _Citation.Journal_name_full 'Biomolecular NMR Assignments' _Citation.Journal_volume 1 _Citation.Journal_issue 1 _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 147 _Citation.Page_last 149 _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.ORCID _Citation_author.Entry_ID _Citation_author.Citation_ID 1 Sunil Prasannan . . . . 15230 1 2 'R. Bryn' Fenwick . . . . 15230 1 3 Louise Campbell . J. . . 15230 1 4 Katrina Evetts . A. . . 15230 1 5 Daniel Nietlispach . . . . 15230 1 6 Darerca Owen . . . . 15230 1 7 Helen Mott . R. . . 15230 1 stop_ loop_ _Citation_keyword.Keyword _Citation_keyword.Entry_ID _Citation_keyword.Citation_ID GTPase 15230 1 NMR 15230 1 RalB 15230 1 assignment 15230 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 15230 _Assembly.ID 1 _Assembly.Name RalB-GMPPNP _Assembly.BMRB_code . _Assembly.Number_of_components 5 _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds yes _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state . _Assembly.Molecular_mass . _Assembly.Enzyme_commission_number . _Assembly.Details . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . 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 RalB 1 $RalB A . yes native no no . . . 15230 1 2 GMPPNP 2 $GNP B . yes native no no . . . 15230 1 3 'MAGNESIUM ION' 3 $MG C . no native no no . . . 15230 1 4 'BOUND WATER, 1' 4 $entity_HOH D . no native no no . . . 15230 1 5 'BOUND WATER, 2' 4 $entity_HOH E . no native no no . . . 15230 1 stop_ loop_ _Bond.ID _Bond.Type _Bond.Value_order _Bond.Assembly_atom_ID_1 _Bond.Entity_assembly_ID_1 _Bond.Entity_assembly_name_1 _Bond.Entity_ID_1 _Bond.Comp_ID_1 _Bond.Comp_index_ID_1 _Bond.Seq_ID_1 _Bond.Atom_ID_1 _Bond.Assembly_atom_ID_2 _Bond.Entity_assembly_ID_2 _Bond.Entity_assembly_name_2 _Bond.Entity_ID_2 _Bond.Comp_ID_2 _Bond.Comp_index_ID_2 _Bond.Seq_ID_2 _Bond.Atom_ID_2 _Bond.Auth_entity_assembly_ID_1 _Bond.Auth_entity_assembly_name_1 _Bond.Auth_asym_ID_1 _Bond.Auth_seq_ID_1 _Bond.Auth_comp_ID_1 _Bond.Auth_atom_ID_1 _Bond.Auth_entity_assembly_ID_2 _Bond.Auth_entity_assembly_name_2 _Bond.Auth_asym_ID_2 _Bond.Auth_seq_ID_2 _Bond.Auth_comp_ID_2 _Bond.Auth_atom_ID_2 _Bond.Entry_ID _Bond.Assembly_ID 1 'Octahedral coordination' SING . 1 RalB 1 SER 29 29 OG . 3 'MAGNESIUM ION' 3 MG 1 1 MG . 28 . SER 28 OG . . . . . MG 15230 1 2 'Octahedral coordination' SING . 1 RalB 1 THR 47 47 OG1 . 3 'MAGNESIUM ION' 3 MG 1 1 MG . 46 . THR 46 OG1 . . . . . MG 15230 1 3 'Octahedral Coordination' SING . 2 GMPPNP 2 GNP 1 1 O2B . 3 'MAGNESIUM ION' 3 MG 1 1 MG . 1 . . 1 O2B . . . . . MG 15230 1 4 'Octahedral coordination' SING . 2 GMPPNP 2 GNP 1 1 O2G . 3 'MAGNESIUM ION' 3 MG 1 1 MG . 1 . . 1 O2G . . . . . MG 15230 1 5 'Octahedral coordination' SING . 4 'BOUND WATER, 1' 4 HOH 1 1 O . 3 'MAGNESIUM ION' 3 MG 1 1 MG . 1 . . 1 OT1 . . . . . MG 15230 1 6 'Octahedral coordination' SING . 5 'BOUND WATER, 2' 4 HOH 1 1 O . 3 'MAGNESIUM ION' 3 MG 1 1 MG . 1 . . 1 OT2 . . . . . MG 15230 1 7 'Hydrogen bond' SING . 1 RalB 1 SER 29 29 OG . 2 GMPPNP 2 GNP 1 1 O2B . 28 . SER 28 OG . . . . . O2B 15230 1 8 'Hydrogen bond' SING . 1 RalB 1 THR 47 47 OG1 . 2 GMPPNP 2 GNP 1 1 O2G . 46 . THR 46 OG1 . . . . . O2G 15230 1 9 'Hydrogen bond' SING . 1 RalB 1 THR 47 47 N . 2 GMPPNP 2 GNP 1 1 O2G . 46 . THR 46 N . . . . . O2G 15230 1 10 'Hydrogen bond' SING . 1 RalB 1 GLY 72 72 N . 2 GMPPNP 2 GNP 1 1 O3G . 71 . GLY 71 N . . . . . O3G 15230 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_RalB _Entity.Sf_category entity _Entity.Sf_framecode RalB _Entity.Entry_ID 15230 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name RalB _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 ; HMAANKSKGQSSLALHKVIM VGSGGVGKSALTLQFMYDEF VEDYEPTKADSYRKKVVLDG EEVQIDILDTAGLEDYAAIR DNYFRSGEGFLLVFSITEHE SFTATAEFREQILRVKAEED KIPLLVVGNKSDLEERRQVP VEEARSKAEEWGVQYVETSA KTRANVDKVFFDLMREIRTK KMSENK ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details ; Residues 0 (H) from His-Tag. Residues Met1 to Ser11 not assigned, due to proteolysis ; _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 186 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'not present' _Entity.Src_method . _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation Q72L _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight . _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date . 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 yes GB AAM12625 . RalB . . . . . . . . . . . . . . 15230 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 0 HIS . 15230 1 2 1 MET . 15230 1 3 2 ALA . 15230 1 4 3 ALA . 15230 1 5 4 ASN . 15230 1 6 5 LYS . 15230 1 7 6 SER . 15230 1 8 7 LYS . 15230 1 9 8 GLY . 15230 1 10 9 GLN . 15230 1 11 10 SER . 15230 1 12 11 SER . 15230 1 13 12 LEU . 15230 1 14 13 ALA . 15230 1 15 14 LEU . 15230 1 16 15 HIS . 15230 1 17 16 LYS . 15230 1 18 17 VAL . 15230 1 19 18 ILE . 15230 1 20 19 MET . 15230 1 21 20 VAL . 15230 1 22 21 GLY . 15230 1 23 22 SER . 15230 1 24 23 GLY . 15230 1 25 24 GLY . 15230 1 26 25 VAL . 15230 1 27 26 GLY . 15230 1 28 27 LYS . 15230 1 29 28 SER . 15230 1 30 29 ALA . 15230 1 31 30 LEU . 15230 1 32 31 THR . 15230 1 33 32 LEU . 15230 1 34 33 GLN . 15230 1 35 34 PHE . 15230 1 36 35 MET . 15230 1 37 36 TYR . 15230 1 38 37 ASP . 15230 1 39 38 GLU . 15230 1 40 39 PHE . 15230 1 41 40 VAL . 15230 1 42 41 GLU . 15230 1 43 42 ASP . 15230 1 44 43 TYR . 15230 1 45 44 GLU . 15230 1 46 45 PRO . 15230 1 47 46 THR . 15230 1 48 47 LYS . 15230 1 49 48 ALA . 15230 1 50 49 ASP . 15230 1 51 50 SER . 15230 1 52 51 TYR . 15230 1 53 52 ARG . 15230 1 54 53 LYS . 15230 1 55 54 LYS . 15230 1 56 55 VAL . 15230 1 57 56 VAL . 15230 1 58 57 LEU . 15230 1 59 58 ASP . 15230 1 60 59 GLY . 15230 1 61 60 GLU . 15230 1 62 61 GLU . 15230 1 63 62 VAL . 15230 1 64 63 GLN . 15230 1 65 64 ILE . 15230 1 66 65 ASP . 15230 1 67 66 ILE . 15230 1 68 67 LEU . 15230 1 69 68 ASP . 15230 1 70 69 THR . 15230 1 71 70 ALA . 15230 1 72 71 GLY . 15230 1 73 72 LEU . 15230 1 74 73 GLU . 15230 1 75 74 ASP . 15230 1 76 75 TYR . 15230 1 77 76 ALA . 15230 1 78 77 ALA . 15230 1 79 78 ILE . 15230 1 80 79 ARG . 15230 1 81 80 ASP . 15230 1 82 81 ASN . 15230 1 83 82 TYR . 15230 1 84 83 PHE . 15230 1 85 84 ARG . 15230 1 86 85 SER . 15230 1 87 86 GLY . 15230 1 88 87 GLU . 15230 1 89 88 GLY . 15230 1 90 89 PHE . 15230 1 91 90 LEU . 15230 1 92 91 LEU . 15230 1 93 92 VAL . 15230 1 94 93 PHE . 15230 1 95 94 SER . 15230 1 96 95 ILE . 15230 1 97 96 THR . 15230 1 98 97 GLU . 15230 1 99 98 HIS . 15230 1 100 99 GLU . 15230 1 101 100 SER . 15230 1 102 101 PHE . 15230 1 103 102 THR . 15230 1 104 103 ALA . 15230 1 105 104 THR . 15230 1 106 105 ALA . 15230 1 107 106 GLU . 15230 1 108 107 PHE . 15230 1 109 108 ARG . 15230 1 110 109 GLU . 15230 1 111 110 GLN . 15230 1 112 111 ILE . 15230 1 113 112 LEU . 15230 1 114 113 ARG . 15230 1 115 114 VAL . 15230 1 116 115 LYS . 15230 1 117 116 ALA . 15230 1 118 117 GLU . 15230 1 119 118 GLU . 15230 1 120 119 ASP . 15230 1 121 120 LYS . 15230 1 122 121 ILE . 15230 1 123 122 PRO . 15230 1 124 123 LEU . 15230 1 125 124 LEU . 15230 1 126 125 VAL . 15230 1 127 126 VAL . 15230 1 128 127 GLY . 15230 1 129 128 ASN . 15230 1 130 129 LYS . 15230 1 131 130 SER . 15230 1 132 131 ASP . 15230 1 133 132 LEU . 15230 1 134 133 GLU . 15230 1 135 134 GLU . 15230 1 136 135 ARG . 15230 1 137 136 ARG . 15230 1 138 137 GLN . 15230 1 139 138 VAL . 15230 1 140 139 PRO . 15230 1 141 140 VAL . 15230 1 142 141 GLU . 15230 1 143 142 GLU . 15230 1 144 143 ALA . 15230 1 145 144 ARG . 15230 1 146 145 SER . 15230 1 147 146 LYS . 15230 1 148 147 ALA . 15230 1 149 148 GLU . 15230 1 150 149 GLU . 15230 1 151 150 TRP . 15230 1 152 151 GLY . 15230 1 153 152 VAL . 15230 1 154 153 GLN . 15230 1 155 154 TYR . 15230 1 156 155 VAL . 15230 1 157 156 GLU . 15230 1 158 157 THR . 15230 1 159 158 SER . 15230 1 160 159 ALA . 15230 1 161 160 LYS . 15230 1 162 161 THR . 15230 1 163 162 ARG . 15230 1 164 163 ALA . 15230 1 165 164 ASN . 15230 1 166 165 VAL . 15230 1 167 166 ASP . 15230 1 168 167 LYS . 15230 1 169 168 VAL . 15230 1 170 169 PHE . 15230 1 171 170 PHE . 15230 1 172 171 ASP . 15230 1 173 172 LEU . 15230 1 174 173 MET . 15230 1 175 174 ARG . 15230 1 176 175 GLU . 15230 1 177 176 ILE . 15230 1 178 177 ARG . 15230 1 179 178 THR . 15230 1 180 179 LYS . 15230 1 181 180 LYS . 15230 1 182 181 MET . 15230 1 183 182 SER . 15230 1 184 183 GLU . 15230 1 185 184 ASN . 15230 1 186 185 LYS . 15230 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 . HIS 1 1 15230 1 . MET 2 2 15230 1 . ALA 3 3 15230 1 . ALA 4 4 15230 1 . ASN 5 5 15230 1 . LYS 6 6 15230 1 . SER 7 7 15230 1 . LYS 8 8 15230 1 . GLY 9 9 15230 1 . GLN 10 10 15230 1 . SER 11 11 15230 1 . SER 12 12 15230 1 . LEU 13 13 15230 1 . ALA 14 14 15230 1 . LEU 15 15 15230 1 . HIS 16 16 15230 1 . LYS 17 17 15230 1 . VAL 18 18 15230 1 . ILE 19 19 15230 1 . MET 20 20 15230 1 . VAL 21 21 15230 1 . GLY 22 22 15230 1 . SER 23 23 15230 1 . GLY 24 24 15230 1 . GLY 25 25 15230 1 . VAL 26 26 15230 1 . GLY 27 27 15230 1 . LYS 28 28 15230 1 . SER 29 29 15230 1 . ALA 30 30 15230 1 . LEU 31 31 15230 1 . THR 32 32 15230 1 . LEU 33 33 15230 1 . GLN 34 34 15230 1 . PHE 35 35 15230 1 . MET 36 36 15230 1 . TYR 37 37 15230 1 . ASP 38 38 15230 1 . GLU 39 39 15230 1 . PHE 40 40 15230 1 . VAL 41 41 15230 1 . GLU 42 42 15230 1 . ASP 43 43 15230 1 . TYR 44 44 15230 1 . GLU 45 45 15230 1 . PRO 46 46 15230 1 . THR 47 47 15230 1 . LYS 48 48 15230 1 . ALA 49 49 15230 1 . ASP 50 50 15230 1 . SER 51 51 15230 1 . TYR 52 52 15230 1 . ARG 53 53 15230 1 . LYS 54 54 15230 1 . LYS 55 55 15230 1 . VAL 56 56 15230 1 . VAL 57 57 15230 1 . LEU 58 58 15230 1 . ASP 59 59 15230 1 . GLY 60 60 15230 1 . GLU 61 61 15230 1 . GLU 62 62 15230 1 . VAL 63 63 15230 1 . GLN 64 64 15230 1 . ILE 65 65 15230 1 . ASP 66 66 15230 1 . ILE 67 67 15230 1 . LEU 68 68 15230 1 . ASP 69 69 15230 1 . THR 70 70 15230 1 . ALA 71 71 15230 1 . GLY 72 72 15230 1 . LEU 73 73 15230 1 . GLU 74 74 15230 1 . ASP 75 75 15230 1 . TYR 76 76 15230 1 . ALA 77 77 15230 1 . ALA 78 78 15230 1 . ILE 79 79 15230 1 . ARG 80 80 15230 1 . ASP 81 81 15230 1 . ASN 82 82 15230 1 . TYR 83 83 15230 1 . PHE 84 84 15230 1 . ARG 85 85 15230 1 . SER 86 86 15230 1 . GLY 87 87 15230 1 . GLU 88 88 15230 1 . GLY 89 89 15230 1 . PHE 90 90 15230 1 . LEU 91 91 15230 1 . LEU 92 92 15230 1 . VAL 93 93 15230 1 . PHE 94 94 15230 1 . SER 95 95 15230 1 . ILE 96 96 15230 1 . THR 97 97 15230 1 . GLU 98 98 15230 1 . HIS 99 99 15230 1 . GLU 100 100 15230 1 . SER 101 101 15230 1 . PHE 102 102 15230 1 . THR 103 103 15230 1 . ALA 104 104 15230 1 . THR 105 105 15230 1 . ALA 106 106 15230 1 . GLU 107 107 15230 1 . PHE 108 108 15230 1 . ARG 109 109 15230 1 . GLU 110 110 15230 1 . GLN 111 111 15230 1 . ILE 112 112 15230 1 . LEU 113 113 15230 1 . ARG 114 114 15230 1 . VAL 115 115 15230 1 . LYS 116 116 15230 1 . ALA 117 117 15230 1 . GLU 118 118 15230 1 . GLU 119 119 15230 1 . ASP 120 120 15230 1 . LYS 121 121 15230 1 . ILE 122 122 15230 1 . PRO 123 123 15230 1 . LEU 124 124 15230 1 . LEU 125 125 15230 1 . VAL 126 126 15230 1 . VAL 127 127 15230 1 . GLY 128 128 15230 1 . ASN 129 129 15230 1 . LYS 130 130 15230 1 . SER 131 131 15230 1 . ASP 132 132 15230 1 . LEU 133 133 15230 1 . GLU 134 134 15230 1 . GLU 135 135 15230 1 . ARG 136 136 15230 1 . ARG 137 137 15230 1 . GLN 138 138 15230 1 . VAL 139 139 15230 1 . PRO 140 140 15230 1 . VAL 141 141 15230 1 . GLU 142 142 15230 1 . GLU 143 143 15230 1 . ALA 144 144 15230 1 . ARG 145 145 15230 1 . SER 146 146 15230 1 . LYS 147 147 15230 1 . ALA 148 148 15230 1 . GLU 149 149 15230 1 . GLU 150 150 15230 1 . TRP 151 151 15230 1 . GLY 152 152 15230 1 . VAL 153 153 15230 1 . GLN 154 154 15230 1 . TYR 155 155 15230 1 . VAL 156 156 15230 1 . GLU 157 157 15230 1 . THR 158 158 15230 1 . SER 159 159 15230 1 . ALA 160 160 15230 1 . LYS 161 161 15230 1 . THR 162 162 15230 1 . ARG 163 163 15230 1 . ALA 164 164 15230 1 . ASN 165 165 15230 1 . VAL 166 166 15230 1 . ASP 167 167 15230 1 . LYS 168 168 15230 1 . VAL 169 169 15230 1 . PHE 170 170 15230 1 . PHE 171 171 15230 1 . ASP 172 172 15230 1 . LEU 173 173 15230 1 . MET 174 174 15230 1 . ARG 175 175 15230 1 . GLU 176 176 15230 1 . ILE 177 177 15230 1 . ARG 178 178 15230 1 . THR 179 179 15230 1 . LYS 180 180 15230 1 . LYS 181 181 15230 1 . MET 182 182 15230 1 . SER 183 183 15230 1 . GLU 184 184 15230 1 . ASN 185 185 15230 1 . LYS 186 186 15230 1 stop_ save_ save_GNP _Entity.Sf_category entity _Entity.Sf_framecode GNP _Entity.Entry_ID 15230 _Entity.ID 2 _Entity.BMRB_code . _Entity.Name GNP _Entity.Type non-polymer _Entity.Polymer_common_type . _Entity.Polymer_type . _Entity.Polymer_type_details . _Entity.Polymer_strand_ID . _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code . _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states . _Entity.Ambiguous_chem_comp_sites . _Entity.Nstd_monomer . _Entity.Nstd_chirality . _Entity.Nstd_linkage . _Entity.Nonpolymer_comp_ID GNP _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers . _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic . _Entity.Thiol_state . _Entity.Src_method . _Entity.Parent_entity_ID 2 _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight . _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date . 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 . GNP . 15230 2 stop_ save_ save_MG _Entity.Sf_category entity _Entity.Sf_framecode MG _Entity.Entry_ID 15230 _Entity.ID 3 _Entity.BMRB_code . _Entity.Name MG _Entity.Type non-polymer _Entity.Polymer_common_type . _Entity.Polymer_type . _Entity.Polymer_type_details . _Entity.Polymer_strand_ID . _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code . _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states . _Entity.Ambiguous_chem_comp_sites . _Entity.Nstd_monomer . _Entity.Nstd_chirality . _Entity.Nstd_linkage . _Entity.Nonpolymer_comp_ID MG _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers . _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic . _Entity.Thiol_state . _Entity.Src_method . _Entity.Parent_entity_ID 3 _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight . _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date . 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 . MG . 15230 3 stop_ save_ save_entity_HOH _Entity.Sf_category entity _Entity.Sf_framecode entity_HOH _Entity.Entry_ID 15230 _Entity.ID 4 _Entity.BMRB_code HOH _Entity.Name WATER _Entity.Type water _Entity.Polymer_common_type . _Entity.Polymer_type . _Entity.Polymer_type_details . _Entity.Polymer_strand_ID . _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code . _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states . _Entity.Ambiguous_chem_comp_sites . _Entity.Nstd_monomer . _Entity.Nstd_chirality . _Entity.Nstd_linkage . _Entity.Nonpolymer_comp_ID HOH _Entity.Nonpolymer_comp_label $chem_comp_HOH _Entity.Number_of_monomers . _Entity.Number_of_nonpolymer_components 1 _Entity.Paramagnetic . _Entity.Thiol_state . _Entity.Src_method . _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 18.015 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date . loop_ _Entity_common_name.Name _Entity_common_name.Type _Entity_common_name.Entry_ID _Entity_common_name.Entity_ID WATER BMRB 15230 4 stop_ loop_ _Entity_systematic_name.Name _Entity_systematic_name.Naming_system _Entity_systematic_name.Entry_ID _Entity_systematic_name.Entity_ID WATER BMRB 15230 4 HOH 'Three letter code' 15230 4 stop_ loop_ _Entity_comp_index.ID _Entity_comp_index.Auth_seq_ID _Entity_comp_index.Comp_ID _Entity_comp_index.Comp_label _Entity_comp_index.Entry_ID _Entity_comp_index.Entity_ID 1 1 HOH $chem_comp_HOH 15230 4 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 15230 _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.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.Secretion _Entity_natural_src.Plasmid _Entity_natural_src.Gene_mnemonic _Entity_natural_src.Details _Entity_natural_src.Entry_ID _Entity_natural_src.Entity_natural_src_list_ID 1 1 $RalB . 9606 organism . 'Homo sapiens' Human . . Eukaryota Metazoa Homo sapiens . . . . . . . . . . . . . 15230 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 15230 _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_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.Details _Entity_experimental_src.Entry_ID _Entity_experimental_src.Entity_experimental_src_list_ID 1 1 $RalB . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli BL21 DE3 . . . . pET16b . . . 15230 1 stop_ save_ ################################# # Polymer residues and ligands # ################################# save_chem_comp_GNP _Chem_comp.Sf_category chem_comp _Chem_comp.Sf_framecode chem_comp_GNP _Chem_comp.Entry_ID 15230 _Chem_comp.ID GNP _Chem_comp.Provenance PDB _Chem_comp.Name 'PHOSPHOAMINOPHOSPHONIC ACID-GUANYLATE ESTER' _Chem_comp.Type non-polymer _Chem_comp.BMRB_code . _Chem_comp.PDB_code GNP _Chem_comp.Ambiguous_flag . _Chem_comp.Initial_date . _Chem_comp.Modified_date . _Chem_comp.Release_status . _Chem_comp.Replaced_by . _Chem_comp.Replaces . _Chem_comp.One_letter_code . _Chem_comp.Three_letter_code . _Chem_comp.Number_atoms_all . _Chem_comp.Number_atoms_nh . _Chem_comp.Atom_nomenclature_source . _Chem_comp.PubChem_code . _Chem_comp.Subcomponent_list . _Chem_comp.InChI_code . _Chem_comp.Mon_nstd_flag . _Chem_comp.Mon_nstd_class . _Chem_comp.Mon_nstd_details . _Chem_comp.Mon_nstd_parent . _Chem_comp.Mon_nstd_parent_comp_ID . _Chem_comp.Std_deriv_one_letter_code . _Chem_comp.Std_deriv_three_letter_code . _Chem_comp.Std_deriv_BMRB_code . _Chem_comp.Std_deriv_PDB_code . _Chem_comp.Std_deriv_chem_comp_name . _Chem_comp.Synonyms . _Chem_comp.Formal_charge 0 _Chem_comp.Paramagnetic . _Chem_comp.Aromatic . _Chem_comp.Formula 'C10 H17 N6 O13 P3' _Chem_comp.Formula_weight 522.196 _Chem_comp.Formula_mono_iso_wt_nat . _Chem_comp.Formula_mono_iso_wt_13C . _Chem_comp.Formula_mono_iso_wt_15N . _Chem_comp.Formula_mono_iso_wt_13C_15N . _Chem_comp.Image_file_name . _Chem_comp.Image_file_format . _Chem_comp.Topo_file_name . _Chem_comp.Topo_file_format . _Chem_comp.Struct_file_name . _Chem_comp.Struct_file_format . _Chem_comp.Stereochem_param_file_name . _Chem_comp.Stereochem_param_file_format . _Chem_comp.Model_details . _Chem_comp.Model_erf . _Chem_comp.Model_source . _Chem_comp.Model_coordinates_details . _Chem_comp.Model_coordinates_missing_flag . _Chem_comp.Ideal_coordinates_details . _Chem_comp.Ideal_coordinates_missing_flag . _Chem_comp.Model_coordinates_db_code . _Chem_comp.Processing_site . _Chem_comp.Vendor . _Chem_comp.Vendor_product_code . _Chem_comp.Details ; Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Wed Dec 20 03:02:30 2006 ; _Chem_comp.DB_query_date . _Chem_comp.DB_last_query_revised_last_date . loop_ _Chem_comp_descriptor.Descriptor _Chem_comp_descriptor.Type _Chem_comp_descriptor.Program _Chem_comp_descriptor.Program_version _Chem_comp_descriptor.Entry_ID _Chem_comp_descriptor.Comp_ID ; InChI=1/C10H17N6O13P3/c11-10-13-7-4(8(19)14-10)12-2-16(7)9-6(18)5(17)3(28-9)1-27-32(25,26)29-31(23,24)15-30(20,21)22/h2-3,5-6,9,17-18H,1H2,(H,25,26)(H3,11,13,14,19)(H4,15,20,21,22,23,24)/t3-,5-,6-,9-/m1/s1 ; INCHI InChi 1 15230 GNP NC1=Nc2[n](cnc2C(=O)N1)C3OC(COP(O)(=O)OP(O)(=O)NP(O)(O)=O)C(O)C3O SMILES_CANONICAL CACTVS 2.87 15230 GNP ; NC1=Nc2[n](cnc2C(=O)N1)[C@@H]3O[C@H](CO[P@@](O)(=O)O[P@@](O)(=O)NP(O)(O)=O)[C@@H](O)[C@H]3O ; SMILES CACTVS 2.87 15230 GNP c1nc2c(=O)[nH]c(nc2n1C3C(C(C(O3)COP(=O)(O)OP(=O)(NP(=O)(O)O)O)O)O)N SMILES OpenEye/OEToolkits 1.4.2 15230 GNP ; c1nc2c(=O)[nH]c(nc2n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(NP(=O)(O)O)O)O)O)N ; SMILES_CANONICAL OpenEye/OEToolkits 1.4.2 15230 GNP stop_ loop_ _Chem_comp_identifier.Identifier _Chem_comp_identifier.Type _Chem_comp_identifier.Program _Chem_comp_identifier.Program_version _Chem_comp_identifier.Entry_ID _Chem_comp_identifier.Comp_ID ; [[[[(2R,3S,4R,5R)-5-(2-amino-6-oxo-1H-purin-9-yl)-3,4-dihydroxy-oxolan-2-yl]methoxy-hydroxy-phosphoryl]oxy-hydroxy-phosphoryl]amino]phosphonic acid ; 'SYSTEMATIC NAME' OpenEye/Lexichem 1.4 15230 GNP stop_ loop_ _Chem_comp_atom.Atom_ID _Chem_comp_atom.BMRB_code _Chem_comp_atom.PDB_atom_ID _Chem_comp_atom.Alt_atom_ID _Chem_comp_atom.Auth_atom_ID _Chem_comp_atom.Type_symbol _Chem_comp_atom.Isotope_number _Chem_comp_atom.Chirality _Chem_comp_atom.Stereo_config _Chem_comp_atom.Charge _Chem_comp_atom.Partial_charge _Chem_comp_atom.Oxidation_number _Chem_comp_atom.Unpaired_electron_number _Chem_comp_atom.Align _Chem_comp_atom.Aromatic_flag _Chem_comp_atom.Leaving_atom_flag _Chem_comp_atom.Substruct_code _Chem_comp_atom.Ionizable _Chem_comp_atom.Drawing_2D_coord_x _Chem_comp_atom.Drawing_2D_coord_y _Chem_comp_atom.Model_Cartn_x _Chem_comp_atom.Model_Cartn_x_esd _Chem_comp_atom.Model_Cartn_y _Chem_comp_atom.Model_Cartn_y_esd _Chem_comp_atom.Model_Cartn_z _Chem_comp_atom.Model_Cartn_z_esd _Chem_comp_atom.Model_Cartn_x_ideal _Chem_comp_atom.Model_Cartn_y_ideal _Chem_comp_atom.Model_Cartn_z_ideal _Chem_comp_atom.PDBX_ordinal _Chem_comp_atom.Details _Chem_comp_atom.Entry_ID _Chem_comp_atom.Comp_ID C1' . C1' . . C . R . 0 . . . . no no . . . . . . . . . . . . . . . 15230 GNP C2 . C2 . . C . N . 0 . . . . yes no . . . . . . . . . . . . . . . 15230 GNP C2' . C2' . . C . R . 0 . . . . no no . . . . . . . . . . . . . . . 15230 GNP C3' . C3' . . C . S . 0 . . . . no no . . . . . . . . . . . . . . . 15230 GNP C4 . C4 . . C . N . 0 . . . . yes no . . . . . . . . . . . . . . . 15230 GNP C4' . C4' . . C . R . 0 . . . . no no . . . . . . . . . . . . . . . 15230 GNP C5 . C5 . . C . N . 0 . . . . yes no . . . . . . . . . . . . . . . 15230 GNP C5' . C5' . . C . N . 0 . . . . no no . . . . . . . . . . . . . . . 15230 GNP C6 . C6 . . C . N . 0 . . . . yes no . . . . . . . . . . . . . . . 15230 GNP C8 . C8 . . C . N . 0 . . . . yes no . . . . . . . . . . . . . . . 15230 GNP H1' . H1' . . H . N . 0 . . . . no no . . . . . . . . . . . . . . . 15230 GNP H2' . H2' . . H . N . 0 . . . . no no . . . . . . . . . . . . . . . 15230 GNP H3' . H3' . . H . N . 0 . . . . no no . . . . . . . . . . . . . . . 15230 GNP H4' . H4' . . H . N . 0 . . . . no no . . . . . . . . . . . . . . . 15230 GNP H5'1 . H5'1 . . H . N . 0 . . . . no no . . . . . . . . . . . . . . . 15230 GNP H5'2 . H5'2 . . H . N . 0 . . . . no no . . . . . . . . . . . . . . . 15230 GNP H8 . H8 . . H . N . 0 . . . . no no . . . . . . . . . . . . . . . 15230 GNP HN1 . HN1 . . H . N . 0 . . . . no no . . . . . . . . . . . . . . . 15230 GNP HN21 . HN21 . . H . N . 0 . . . . no no . . . . . . . . . . . . . . . 15230 GNP HN22 . HN22 . . H . N . 0 . . . . no no . . . . . . . . . . . . . . . 15230 GNP HNB3 . HNB3 . . H . N . 0 . . . . no no . . . . . . . . . . . . . . . 15230 GNP HO2' . HO2' . . H . N . 0 . . . . no no . . . . . . . . . . . . . . . 15230 GNP HO3' . HO3' . . H . N . 0 . . . . no no . . . . . . . . . . . . . . . 15230 GNP HOA2 . HOA2 . . H . N . 0 . . . . no no . . . . . . . . . . . . . . . 15230 GNP HOB2 . HOB2 . . H . N . 0 . . . . no no . . . . . . . . . . . . . . . 15230 GNP HOG2 . HOG2 . . H . N . 0 . . . . no no . . . . . . . . . . . . . . . 15230 GNP HOG3 . HOG3 . . H . N . 0 . . . . no no . . . . . . . . . . . . . . . 15230 GNP N1 . N1 . . N . N . 0 . . . . yes no . . . . . . . . . . . . . . . 15230 GNP N2 . N2 . . N . N . 0 . . . . no no . . . . . . . . . . . . . . . 15230 GNP N3 . N3 . . N . N . 0 . . . . yes no . . . . . . . . . . . . . . . 15230 GNP N3B . N3B . . N . N . 0 . . . . no no . . . . . . . . . . . . . . . 15230 GNP N7 . N7 . . N . N . 0 . . . . yes no . . . . . . . . . . . . . . . 15230 GNP N9 . N9 . . N . N . 0 . . . . yes no . . . . . . . . . . . . . . . 15230 GNP O1A . O1A . . O . N . 0 . . . . no no . . . . . . . . . . . . . . . 15230 GNP O1B . O1B . . O . N . 0 . . . . no no . . . . . . . . . . . . . . . 15230 GNP O1G . O1G . . O . N . 0 . . . . no no . . . . . . . . . . . . . . . 15230 GNP O2' . O2' . . O . N . 0 . . . . no no . . . . . . . . . . . . . . . 15230 GNP O2A . O2A . . O . N . 0 . . . . no no . . . . . . . . . . . . . . . 15230 GNP O2B . O2B . . O . N . 0 . . . . no no . . . . . . . . . . . . . . . 15230 GNP O2G . O2G . . O . N . 0 . . . . no no . . . . . . . . . . . . . . . 15230 GNP O3' . O3' . . O . N . 0 . . . . no no . . . . . . . . . . . . . . . 15230 GNP O3A . O3A . . O . N . 0 . . . . no no . . . . . . . . . . . . . . . 15230 GNP O3G . O3G . . O . N . 0 . . . . no no . . . . . . . . . . . . . . . 15230 GNP O4' . O4' . . O . N . 0 . . . . no no . . . . . . . . . . . . . . . 15230 GNP O5' . O5' . . O . N . 0 . . . . no no . . . . . . . . . . . . . . . 15230 GNP O6 . O6 . . O . N . 0 . . . . no no . . . . . . . . . . . . . . . 15230 GNP PA . PA . . P . S . 0 . . . . no no . . . . . . . . . . . . . . . 15230 GNP PB . PB . . P . R . 0 . . . . no no . . . . . . . . . . . . . . . 15230 GNP PG . PG . . P . N . 0 . . . . no no . . . . . . . . . . . . . . . 15230 GNP stop_ loop_ _Chem_comp_bond.ID _Chem_comp_bond.Type _Chem_comp_bond.Value_order _Chem_comp_bond.Atom_ID_1 _Chem_comp_bond.Atom_ID_2 _Chem_comp_bond.Aromatic_flag _Chem_comp_bond.Stereo_config _Chem_comp_bond.Ordinal _Chem_comp_bond.Details _Chem_comp_bond.Entry_ID _Chem_comp_bond.Comp_ID 1 . DOUB PG O1G . . . . 15230 GNP 2 . SING PG O2G . . . . 15230 GNP 3 . SING PG O3G . . . . 15230 GNP 4 . SING PG N3B . . . . 15230 GNP 5 . SING O2G HOG2 . . . . 15230 GNP 6 . SING O3G HOG3 . . . . 15230 GNP 7 . SING N3B PB . . . . 15230 GNP 8 . SING N3B HNB3 . . . . 15230 GNP 9 . DOUB PB O1B . . . . 15230 GNP 10 . SING PB O2B . . . . 15230 GNP 11 . SING PB O3A . . . . 15230 GNP 12 . SING O2B HOB2 . . . . 15230 GNP 13 . SING O3A PA . . . . 15230 GNP 14 . DOUB PA O1A . . . . 15230 GNP 15 . SING PA O2A . . . . 15230 GNP 16 . SING PA O5' . . . . 15230 GNP 17 . SING O2A HOA2 . . . . 15230 GNP 18 . SING O5' C5' . . . . 15230 GNP 19 . SING C5' C4' . . . . 15230 GNP 20 . SING C5' H5'2 . . . . 15230 GNP 21 . SING C5' H5'1 . . . . 15230 GNP 22 . SING C4' O4' . . . . 15230 GNP 23 . SING C4' C3' . . . . 15230 GNP 24 . SING C4' H4' . . . . 15230 GNP 25 . SING O4' C1' . . . . 15230 GNP 26 . SING C3' O3' . . . . 15230 GNP 27 . SING C3' C2' . . . . 15230 GNP 28 . SING C3' H3' . . . . 15230 GNP 29 . SING O3' HO3' . . . . 15230 GNP 30 . SING C2' O2' . . . . 15230 GNP 31 . SING C2' C1' . . . . 15230 GNP 32 . SING C2' H2' . . . . 15230 GNP 33 . SING O2' HO2' . . . . 15230 GNP 34 . SING C1' N9 . . . . 15230 GNP 35 . SING C1' H1' . . . . 15230 GNP 36 . SING N9 C8 . . . . 15230 GNP 37 . SING N9 C4 . . . . 15230 GNP 38 . DOUB C8 N7 . . . . 15230 GNP 39 . SING C8 H8 . . . . 15230 GNP 40 . SING N7 C5 . . . . 15230 GNP 41 . SING C5 C6 . . . . 15230 GNP 42 . DOUB C5 C4 . . . . 15230 GNP 43 . DOUB C6 O6 . . . . 15230 GNP 44 . SING C6 N1 . . . . 15230 GNP 45 . SING N1 C2 . . . . 15230 GNP 46 . SING N1 HN1 . . . . 15230 GNP 47 . SING C2 N2 . . . . 15230 GNP 48 . DOUB C2 N3 . . . . 15230 GNP 49 . SING N2 HN21 . . . . 15230 GNP 50 . SING N2 HN22 . . . . 15230 GNP 51 . SING N3 C4 . . . . 15230 GNP stop_ save_ save_chem_comp_MG _Chem_comp.Sf_category chem_comp _Chem_comp.Sf_framecode chem_comp_MG _Chem_comp.Entry_ID 15230 _Chem_comp.ID MG _Chem_comp.Provenance PDB _Chem_comp.Name 'MAGNESIUM ION' _Chem_comp.Type non-polymer _Chem_comp.BMRB_code . _Chem_comp.PDB_code MG _Chem_comp.Ambiguous_flag . _Chem_comp.Initial_date . _Chem_comp.Modified_date . _Chem_comp.Release_status . _Chem_comp.Replaced_by . _Chem_comp.Replaces . _Chem_comp.One_letter_code . _Chem_comp.Three_letter_code . _Chem_comp.Number_atoms_all . _Chem_comp.Number_atoms_nh . _Chem_comp.Atom_nomenclature_source . _Chem_comp.PubChem_code . _Chem_comp.Subcomponent_list . _Chem_comp.InChI_code . _Chem_comp.Mon_nstd_flag . _Chem_comp.Mon_nstd_class . _Chem_comp.Mon_nstd_details . _Chem_comp.Mon_nstd_parent . _Chem_comp.Mon_nstd_parent_comp_ID . _Chem_comp.Std_deriv_one_letter_code . _Chem_comp.Std_deriv_three_letter_code . _Chem_comp.Std_deriv_BMRB_code . _Chem_comp.Std_deriv_PDB_code . _Chem_comp.Std_deriv_chem_comp_name . _Chem_comp.Synonyms . _Chem_comp.Formal_charge 2 _Chem_comp.Paramagnetic . _Chem_comp.Aromatic . _Chem_comp.Formula Mg _Chem_comp.Formula_weight 24.305 _Chem_comp.Formula_mono_iso_wt_nat . _Chem_comp.Formula_mono_iso_wt_13C . _Chem_comp.Formula_mono_iso_wt_15N . _Chem_comp.Formula_mono_iso_wt_13C_15N . _Chem_comp.Image_file_name . _Chem_comp.Image_file_format . _Chem_comp.Topo_file_name . _Chem_comp.Topo_file_format . _Chem_comp.Struct_file_name . _Chem_comp.Struct_file_format . _Chem_comp.Stereochem_param_file_name . _Chem_comp.Stereochem_param_file_format . _Chem_comp.Model_details . _Chem_comp.Model_erf . _Chem_comp.Model_source . _Chem_comp.Model_coordinates_details . _Chem_comp.Model_coordinates_missing_flag . _Chem_comp.Ideal_coordinates_details . _Chem_comp.Ideal_coordinates_missing_flag . _Chem_comp.Model_coordinates_db_code . _Chem_comp.Processing_site . _Chem_comp.Vendor . _Chem_comp.Vendor_product_code . _Chem_comp.Details ; Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Wed Dec 20 04:02:19 2006 ; _Chem_comp.DB_query_date . _Chem_comp.DB_last_query_revised_last_date . loop_ _Chem_comp_descriptor.Descriptor _Chem_comp_descriptor.Type _Chem_comp_descriptor.Program _Chem_comp_descriptor.Program_version _Chem_comp_descriptor.Entry_ID _Chem_comp_descriptor.Comp_ID InChI=1/Mg/q+2 INCHI InChi 1 15230 MG [Mg++] SMILES CACTVS 2.87 15230 MG [Mg++] SMILES_CANONICAL CACTVS 2.87 15230 MG [Mg+2] SMILES OpenEye/OEToolkits 1.4.2 15230 MG [Mg+2] SMILES_CANONICAL OpenEye/OEToolkits 1.4.2 15230 MG stop_ loop_ _Chem_comp_identifier.Identifier _Chem_comp_identifier.Type _Chem_comp_identifier.Program _Chem_comp_identifier.Program_version _Chem_comp_identifier.Entry_ID _Chem_comp_identifier.Comp_ID 'magnesium(+2) cation' 'SYSTEMATIC NAME' OpenEye/Lexichem 1.4 15230 MG stop_ loop_ _Chem_comp_atom.Atom_ID _Chem_comp_atom.BMRB_code _Chem_comp_atom.PDB_atom_ID _Chem_comp_atom.Alt_atom_ID _Chem_comp_atom.Auth_atom_ID _Chem_comp_atom.Type_symbol _Chem_comp_atom.Isotope_number _Chem_comp_atom.Chirality _Chem_comp_atom.Stereo_config _Chem_comp_atom.Charge _Chem_comp_atom.Partial_charge _Chem_comp_atom.Oxidation_number _Chem_comp_atom.Unpaired_electron_number _Chem_comp_atom.Align _Chem_comp_atom.Aromatic_flag _Chem_comp_atom.Leaving_atom_flag _Chem_comp_atom.Substruct_code _Chem_comp_atom.Ionizable _Chem_comp_atom.Drawing_2D_coord_x _Chem_comp_atom.Drawing_2D_coord_y _Chem_comp_atom.Model_Cartn_x _Chem_comp_atom.Model_Cartn_x_esd _Chem_comp_atom.Model_Cartn_y _Chem_comp_atom.Model_Cartn_y_esd _Chem_comp_atom.Model_Cartn_z _Chem_comp_atom.Model_Cartn_z_esd _Chem_comp_atom.Model_Cartn_x_ideal _Chem_comp_atom.Model_Cartn_y_ideal _Chem_comp_atom.Model_Cartn_z_ideal _Chem_comp_atom.PDBX_ordinal _Chem_comp_atom.Details _Chem_comp_atom.Entry_ID _Chem_comp_atom.Comp_ID MG . MG . . MG . N . 2 . . . . no no . . . . . . . . . . . . . . . 15230 MG stop_ save_ save_chem_comp_HOH _Chem_comp.Sf_category chem_comp _Chem_comp.Sf_framecode chem_comp_HOH _Chem_comp.Entry_ID 15230 _Chem_comp.ID HOH _Chem_comp.Provenance PDB _Chem_comp.Name WATER _Chem_comp.Type NON-POLYMER _Chem_comp.BMRB_code HOH _Chem_comp.PDB_code HOH _Chem_comp.Ambiguous_flag no _Chem_comp.Initial_date 2012-11-20 _Chem_comp.Modified_date 2012-11-20 _Chem_comp.Release_status REL _Chem_comp.Replaced_by . _Chem_comp.Replaces MTO _Chem_comp.One_letter_code . _Chem_comp.Three_letter_code HOH _Chem_comp.Number_atoms_all 3 _Chem_comp.Number_atoms_nh 1 _Chem_comp.Atom_nomenclature_source . _Chem_comp.PubChem_code . _Chem_comp.Subcomponent_list . _Chem_comp.InChI_code InChI=1S/H2O/h1H2 _Chem_comp.Mon_nstd_flag . _Chem_comp.Mon_nstd_class . _Chem_comp.Mon_nstd_details . _Chem_comp.Mon_nstd_parent . _Chem_comp.Mon_nstd_parent_comp_ID . _Chem_comp.Std_deriv_one_letter_code . _Chem_comp.Std_deriv_three_letter_code . _Chem_comp.Std_deriv_BMRB_code . _Chem_comp.Std_deriv_PDB_code . _Chem_comp.Std_deriv_chem_comp_name . _Chem_comp.Synonyms . _Chem_comp.Formal_charge 0 _Chem_comp.Paramagnetic . _Chem_comp.Aromatic no _Chem_comp.Formula 'H2 O' _Chem_comp.Formula_weight 18.015 _Chem_comp.Formula_mono_iso_wt_nat . _Chem_comp.Formula_mono_iso_wt_13C . _Chem_comp.Formula_mono_iso_wt_15N . _Chem_comp.Formula_mono_iso_wt_13C_15N . _Chem_comp.Image_file_name . _Chem_comp.Image_file_format . _Chem_comp.Topo_file_name . _Chem_comp.Topo_file_format . _Chem_comp.Struct_file_name . _Chem_comp.Struct_file_format . _Chem_comp.Stereochem_param_file_name . _Chem_comp.Stereochem_param_file_format . _Chem_comp.Model_details . _Chem_comp.Model_erf . _Chem_comp.Model_source . _Chem_comp.Model_coordinates_details . _Chem_comp.Model_coordinates_missing_flag no _Chem_comp.Ideal_coordinates_details . _Chem_comp.Ideal_coordinates_missing_flag no _Chem_comp.Model_coordinates_db_code 1NHE _Chem_comp.Processing_site RCSB _Chem_comp.Vendor . _Chem_comp.Vendor_product_code . _Chem_comp.Details . _Chem_comp.DB_query_date . _Chem_comp.DB_last_query_revised_last_date . loop_ _Chem_comp_descriptor.Descriptor _Chem_comp_descriptor.Type _Chem_comp_descriptor.Program _Chem_comp_descriptor.Program_version _Chem_comp_descriptor.Entry_ID _Chem_comp_descriptor.Comp_ID InChI=1S/H2O/h1H2 InChI InChI 1.03 15230 HOH O SMILES ACDLabs 10.04 15230 HOH O SMILES CACTVS 3.341 15230 HOH O SMILES 'OpenEye OEToolkits' 1.5.0 15230 HOH O SMILES_CANONICAL CACTVS 3.341 15230 HOH O SMILES_CANONICAL 'OpenEye OEToolkits' 1.5.0 15230 HOH XLYOFNOQVPJJNP-UHFFFAOYSA-N InChIKey InChI 1.03 15230 HOH stop_ loop_ _Chem_comp_identifier.Identifier _Chem_comp_identifier.Type _Chem_comp_identifier.Program _Chem_comp_identifier.Program_version _Chem_comp_identifier.Entry_ID _Chem_comp_identifier.Comp_ID oxidane 'SYSTEMATIC NAME' 'OpenEye OEToolkits' 1.5.0 15230 HOH water 'SYSTEMATIC NAME' ACDLabs 10.04 15230 HOH stop_ loop_ _Chem_comp_atom.Atom_ID _Chem_comp_atom.BMRB_code _Chem_comp_atom.PDB_atom_ID _Chem_comp_atom.Alt_atom_ID _Chem_comp_atom.Auth_atom_ID _Chem_comp_atom.Type_symbol _Chem_comp_atom.Isotope_number _Chem_comp_atom.Chirality _Chem_comp_atom.Stereo_config _Chem_comp_atom.Charge _Chem_comp_atom.Partial_charge _Chem_comp_atom.Oxidation_number _Chem_comp_atom.Unpaired_electron_number _Chem_comp_atom.Align _Chem_comp_atom.Aromatic_flag _Chem_comp_atom.Leaving_atom_flag _Chem_comp_atom.Substruct_code _Chem_comp_atom.Ionizable _Chem_comp_atom.Drawing_2D_coord_x _Chem_comp_atom.Drawing_2D_coord_y _Chem_comp_atom.Model_Cartn_x _Chem_comp_atom.Model_Cartn_x_esd _Chem_comp_atom.Model_Cartn_y _Chem_comp_atom.Model_Cartn_y_esd _Chem_comp_atom.Model_Cartn_z _Chem_comp_atom.Model_Cartn_z_esd _Chem_comp_atom.Model_Cartn_x_ideal _Chem_comp_atom.Model_Cartn_y_ideal _Chem_comp_atom.Model_Cartn_z_ideal _Chem_comp_atom.PDBX_ordinal _Chem_comp_atom.Details _Chem_comp_atom.Entry_ID _Chem_comp_atom.Comp_ID O O O O . O . . N 0 . . . 1 no no . . . . -23.107 . 18.401 . -21.626 . -0.064 0.000 0.000 1 . 15230 HOH H1 H1 H1 1H . H . . N 0 . . . 1 no no . . . . -22.157 . 18.401 . -21.626 . 0.512 0.000 -0.776 2 . 15230 HOH H2 H2 H2 2H . H . . N 0 . . . 1 no no . . . . -23.424 . 18.401 . -20.730 . 0.512 0.000 0.776 3 . 15230 HOH stop_ loop_ _Chem_comp_bond.ID _Chem_comp_bond.Type _Chem_comp_bond.Value_order _Chem_comp_bond.Atom_ID_1 _Chem_comp_bond.Atom_ID_2 _Chem_comp_bond.Aromatic_flag _Chem_comp_bond.Stereo_config _Chem_comp_bond.Ordinal _Chem_comp_bond.Details _Chem_comp_bond.Entry_ID _Chem_comp_bond.Comp_ID 1 . SING O H1 no N 1 . 15230 HOH 2 . SING O H2 no N 2 . 15230 HOH stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 15230 _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 RalB '[U-99% 13C; U-99% 15N]' . . 1 $RalB . . 0.6 . . mM . . . . 15230 1 2 GMPPNP none . . 2 $GNP . . 0.6 . . mM . . . . 15230 1 3 'Magnesium chloride' none . . 3 $MG . . 1 . . mM . . . . 15230 1 4 'sodium chloride' none . . . . . . 100 . . mM . . . . 15230 1 5 D2O none . . . . . . 10 . . % . . . . 15230 1 6 'sodium azide' none . . . . . . 0.05 . . % . . . . 15230 1 7 'sodium phosphate' none . . . . . . 50 . . mM . . . . 15230 1 stop_ save_ save_sample_2 _Sample.Sf_category sample _Sample.Sf_framecode sample_2 _Sample.Entry_ID 15230 _Sample.ID 2 _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 RalB '[U-99% 15N]' . . 1 $RalB . . 0.6 . . mM . . . . 15230 2 2 GMPPNP none . . 2 $GNP . . 0.6 . . mM . . . . 15230 2 3 'Magnesium chloride' none . . 3 $MG . . 1 . . mM . . . . 15230 2 4 'sodium chloride' none . . . . . . 100 . . mM . . . . 15230 2 5 D2O none . . . . . . 10 . . % . . . . 15230 2 6 'sodium azide' none . . . . . . 0.05 . . % . . . . 15230 2 7 'sodium phosphate' none . . . . . . 50 . . mM . . . . 15230 2 stop_ save_ save_sample_3 _Sample.Sf_category sample _Sample.Sf_framecode sample_3 _Sample.Entry_ID 15230 _Sample.ID 3 _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 RalB none . . 1 $RalB . . 0.6 . . mM . . . . 15230 3 2 GMPPNP none . . 2 $GNP . . 0.6 . . mM . . . . 15230 3 3 'Magnesium chloride' none . . 3 $MG . . 1 . . mM . . . . 15230 3 4 'sodium chloride' none . . . . . . 100 . . mM . . . . 15230 3 5 D2O none . . . . . . 10 . . % . . . . 15230 3 6 'sodium azide' none . . . . . . 0.05 . . % . . . . 15230 3 7 'sodium phosphate' none . . . . . . 50 . . mM . . . . 15230 3 stop_ save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode sample_conditions_1 _Sample_condition_list.Entry_ID 15230 _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 'ionic strength' 50 . mM 15230 1 pH 7.6 . pH 15230 1 pressure 1 . atm 15230 1 temperature 298 . K 15230 1 stop_ save_ ############################ # Computer software used # ############################ save_AZARA _Software.Sf_category software _Software.Sf_framecode AZARA _Software.Entry_ID 15230 _Software.ID 1 _Software.Type . _Software.Name AZARA _Software.Version . _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'W Boucher' . . 15230 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID processing 15230 1 stop_ save_ save_CcpNmr_Analysis _Software.Sf_category software _Software.Sf_framecode CcpNmr_Analysis _Software.Entry_ID 15230 _Software.ID 2 _Software.Type . _Software.Name ANALYSIS _Software.Version . _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID ; W. Vranken, W. Boucher, T. Stevens, R. Fogh, A. Pajon, M. Llinas, E. Ulrich, J. Markley, J. Ionides, E. Laue ; . . 15230 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' 15230 2 'data analysis' 15230 2 'peak picking' 15230 2 stop_ save_ save_CNS _Software.Sf_category software _Software.Sf_framecode CNS _Software.Entry_ID 15230 _Software.ID 3 _Software.Type . _Software.Name CNS _Software.Version . _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'A Brunger, P Adams, M Clore, P Gros, M Nilges and R Read' . . 15230 3 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID refinement 15230 3 'structure solution' 15230 3 stop_ save_ save_TALOS _Software.Sf_category software _Software.Sf_framecode TALOS _Software.Entry_ID 15230 _Software.ID 4 _Software.Type . _Software.Name TALOS _Software.Version . _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'G Cornilescu, F Delaglio and A Bax' . . 15230 4 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'torsion angle prediction' 15230 4 stop_ save_ save_ARIA _Software.Sf_category software _Software.Sf_framecode ARIA _Software.Entry_ID 15230 _Software.ID 5 _Software.Type . _Software.Name ARIA _Software.Version . _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID "J Linge, S O'Donoghue and M Nilges" . . 15230 5 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID refinement 15230 5 'structure solution' 15230 5 stop_ save_ save_Tensor2 _Software.Sf_category software _Software.Sf_framecode Tensor2 _Software.Entry_ID 15230 _Software.ID 6 _Software.Type . _Software.Name Tensor2 _Software.Version . _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'P. Dosset, J-C. Hus, M. Blackledge, D. Marion' . . 15230 6 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'Model-free analysis' 15230 6 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 15230 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model DRX _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 500 save_ save_spectrometer_2 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_2 _NMR_spectrometer.Entry_ID 15230 _NMR_spectrometer.ID 2 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model DRX _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 800 save_ save_NMR_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode NMR_spectrometer_list _NMR_spectrometer_list.Entry_ID 15230 _NMR_spectrometer_list.ID 1 loop_ _NMR_spectrometer_view.ID _NMR_spectrometer_view.Name _NMR_spectrometer_view.Manufacturer _NMR_spectrometer_view.Model _NMR_spectrometer_view.Serial_number _NMR_spectrometer_view.Field_strength _NMR_spectrometer_view.Details _NMR_spectrometer_view.Citation_ID _NMR_spectrometer_view.Citation_label _NMR_spectrometer_view.Entry_ID _NMR_spectrometer_view.NMR_spectrometer_list_ID 1 spectrometer_1 Bruker DRX . 500 . . . 15230 1 2 spectrometer_2 Bruker DRX . 800 . . . 15230 1 stop_ save_ ############################# # NMR applied experiments # ############################# save_experiment_list _Experiment_list.Sf_category experiment_list _Experiment_list.Sf_framecode experiment_list _Experiment_list.Entry_ID 15230 _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 '2D 1H-15N HSQC' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 15230 1 2 '2D 1H-13C HSQC' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 15230 1 3 '2D 1H-1H NOESY' no . . . . . . . . . . 3 $sample_3 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 15230 1 4 '3D 1H-15N NOESY' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 15230 1 5 '3D 1H-15N TOCSY' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 15230 1 6 '3D 1H-13C NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 15230 1 7 '3D CBCA(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 15230 1 8 '3D HNCO' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 15230 1 9 '3D HNCA' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 15230 1 10 '3D HNCACB' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 15230 1 11 '3D HBHA(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 15230 1 12 '3D HN(CO)CA' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 15230 1 13 '3D C(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 15230 1 14 '3D HCCH-TOCSY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 15230 1 stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference_1 _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chemical_shift_reference_1 _Chem_shift_reference.Entry_ID 15230 _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.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C 13 DSS 'methyl protons' . . . . ppm 0.00 . indirect 0.251449530 . . . . . 15230 1 H 1 DSS 'methyl protons' . . . . ppm 0.00 internal direct 1.000000000 . . . . . 15230 1 N 15 DSS 'methyl protons' . . . . ppm 0.00 . indirect 0.101329118 . . . . . 15230 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_assigned_chem_shift_list_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chem_shift_list_1 _Assigned_chem_shift_list.Entry_ID 15230 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_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 '2D 1H-15N HSQC' . . . 15230 1 2 '2D 1H-13C HSQC' . . . 15230 1 4 '3D 1H-15N NOESY' . . . 15230 1 5 '3D 1H-15N TOCSY' . . . 15230 1 6 '3D 1H-13C NOESY' . . . 15230 1 7 '3D CBCA(CO)NH' . . . 15230 1 8 '3D HNCO' . . . 15230 1 9 '3D HNCA' . . . 15230 1 10 '3D HNCACB' . . . 15230 1 11 '3D HBHA(CO)NH' . . . 15230 1 12 '3D HN(CO)CA' . . . 15230 1 13 '3D C(CO)NH' . . . 15230 1 14 '3D HCCH-TOCSY' . . . 15230 1 stop_ loop_ _Chem_shift_software.Software_ID _Chem_shift_software.Software_label _Chem_shift_software.Method_ID _Chem_shift_software.Method_label _Chem_shift_software.Entry_ID _Chem_shift_software.Assigned_chem_shift_list_ID 2 $CcpNmr_Analysis . . 15230 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.Ambiguity_set_ID _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 13 13 LEU HA H 1 4.115 0.002 . 1 . . . . . 12 LEU HA . 15230 1 2 . 1 1 13 13 LEU HB2 H 1 1.587 0.003 . 1 . . . . . 12 LEU HB2 . 15230 1 3 . 1 1 13 13 LEU HB3 H 1 1.587 0.003 . 1 . . . . . 12 LEU HB3 . 15230 1 4 . 1 1 13 13 LEU HD11 H 1 0.821 0.003 . 2 . . . . . 12 LEU HD11 . 15230 1 5 . 1 1 13 13 LEU HD12 H 1 0.821 0.003 . 2 . . . . . 12 LEU HD12 . 15230 1 6 . 1 1 13 13 LEU HD13 H 1 0.821 0.003 . 2 . . . . . 12 LEU HD13 . 15230 1 7 . 1 1 13 13 LEU HD21 H 1 0.840 0.003 . 2 . . . . . 12 LEU HD21 . 15230 1 8 . 1 1 13 13 LEU HD22 H 1 0.840 0.003 . 2 . . . . . 12 LEU HD22 . 15230 1 9 . 1 1 13 13 LEU HD23 H 1 0.840 0.003 . 2 . . . . . 12 LEU HD23 . 15230 1 10 . 1 1 13 13 LEU HG H 1 1.640 0.024 . 1 . . . . . 12 LEU HG . 15230 1 11 . 1 1 13 13 LEU C C 13 176.117 0.000 . 1 . . . . . 12 LEU C . 15230 1 12 . 1 1 13 13 LEU CA C 13 55.662 0.012 . 1 . . . . . 12 LEU CA . 15230 1 13 . 1 1 13 13 LEU CB C 13 42.067 0.014 . 1 . . . . . 12 LEU CB . 15230 1 14 . 1 1 13 13 LEU CD1 C 13 24.297 0.049 . 2 . . . . . 12 LEU CD1 . 15230 1 15 . 1 1 13 13 LEU CD2 C 13 25.213 0.017 . 2 . . . . . 12 LEU CD2 . 15230 1 16 . 1 1 13 13 LEU CG C 13 27.420 0.102 . 1 . . . . . 12 LEU CG . 15230 1 17 . 1 1 14 14 ALA H H 1 8.162 0.025 . 1 . . . . . 13 ALA H . 15230 1 18 . 1 1 14 14 ALA HA H 1 4.162 0.002 . 1 . . . . . 13 ALA HA . 15230 1 19 . 1 1 14 14 ALA HB1 H 1 1.209 0.002 . 1 . . . . . 13 ALA HB1 . 15230 1 20 . 1 1 14 14 ALA HB2 H 1 1.209 0.002 . 1 . . . . . 13 ALA HB2 . 15230 1 21 . 1 1 14 14 ALA HB3 H 1 1.209 0.002 . 1 . . . . . 13 ALA HB3 . 15230 1 22 . 1 1 14 14 ALA C C 13 175.515 0.000 . 1 . . . . . 13 ALA C . 15230 1 23 . 1 1 14 14 ALA CA C 13 51.906 0.028 . 1 . . . . . 13 ALA CA . 15230 1 24 . 1 1 14 14 ALA CB C 13 19.325 0.042 . 1 . . . . . 13 ALA CB . 15230 1 25 . 1 1 14 14 ALA N N 15 120.916 0.041 . 1 . . . . . 13 ALA N . 15230 1 26 . 1 1 15 15 LEU H H 1 7.012 0.012 . 1 . . . . . 14 LEU H . 15230 1 27 . 1 1 15 15 LEU HA H 1 4.935 0.008 . 1 . . . . . 14 LEU HA . 15230 1 28 . 1 1 15 15 LEU HB2 H 1 1.168 0.004 . 2 . . . . . 14 LEU HB2 . 15230 1 29 . 1 1 15 15 LEU HB3 H 1 1.463 0.005 . 2 . . . . . 14 LEU HB3 . 15230 1 30 . 1 1 15 15 LEU HD11 H 1 0.586 0.002 . 2 . . . . . 14 LEU HD11 . 15230 1 31 . 1 1 15 15 LEU HD12 H 1 0.586 0.002 . 2 . . . . . 14 LEU HD12 . 15230 1 32 . 1 1 15 15 LEU HD13 H 1 0.586 0.002 . 2 . . . . . 14 LEU HD13 . 15230 1 33 . 1 1 15 15 LEU HD21 H 1 0.678 0.003 . 2 . . . . . 14 LEU HD21 . 15230 1 34 . 1 1 15 15 LEU HD22 H 1 0.678 0.003 . 2 . . . . . 14 LEU HD22 . 15230 1 35 . 1 1 15 15 LEU HD23 H 1 0.678 0.003 . 2 . . . . . 14 LEU HD23 . 15230 1 36 . 1 1 15 15 LEU HG H 1 1.085 0.003 . 1 . . . . . 14 LEU HG . 15230 1 37 . 1 1 15 15 LEU C C 13 174.352 0.000 . 1 . . . . . 14 LEU C . 15230 1 38 . 1 1 15 15 LEU CA C 13 53.560 0.028 . 1 . . . . . 14 LEU CA . 15230 1 39 . 1 1 15 15 LEU CB C 13 44.467 0.015 . 1 . . . . . 14 LEU CB . 15230 1 40 . 1 1 15 15 LEU CD1 C 13 23.633 0.040 . 2 . . . . . 14 LEU CD1 . 15230 1 41 . 1 1 15 15 LEU CD2 C 13 25.427 0.027 . 2 . . . . . 14 LEU CD2 . 15230 1 42 . 1 1 15 15 LEU CG C 13 27.872 0.019 . 1 . . . . . 14 LEU CG . 15230 1 43 . 1 1 15 15 LEU N N 15 122.483 0.032 . 1 . . . . . 14 LEU N . 15230 1 44 . 1 1 16 16 HIS H H 1 8.545 0.014 . 1 . . . . . 15 HIS H . 15230 1 45 . 1 1 16 16 HIS HA H 1 5.343 0.008 . 1 . . . . . 15 HIS HA . 15230 1 46 . 1 1 16 16 HIS HB2 H 1 2.648 0.002 . 2 . . . . . 15 HIS HB2 . 15230 1 47 . 1 1 16 16 HIS HB3 H 1 2.751 0.005 . 2 . . . . . 15 HIS HB3 . 15230 1 48 . 1 1 16 16 HIS HD2 H 1 6.594 0.003 . 1 . . . . . 15 HIS HD2 . 15230 1 49 . 1 1 16 16 HIS HE1 H 1 7.380 0.003 . 1 . . . . . 15 HIS HE1 . 15230 1 50 . 1 1 16 16 HIS C C 13 174.452 0.000 . 1 . . . . . 15 HIS C . 15230 1 51 . 1 1 16 16 HIS CA C 13 53.537 0.015 . 1 . . . . . 15 HIS CA . 15230 1 52 . 1 1 16 16 HIS CB C 13 33.108 0.017 . 1 . . . . . 15 HIS CB . 15230 1 53 . 1 1 16 16 HIS CD2 C 13 116.812 0.019 . 1 . . . . . 15 HIS CD2 . 15230 1 54 . 1 1 16 16 HIS CE1 C 13 137.869 0.014 . 1 . . . . . 15 HIS CE1 . 15230 1 55 . 1 1 16 16 HIS N N 15 125.369 0.049 . 1 . . . . . 15 HIS N . 15230 1 56 . 1 1 17 17 LYS H H 1 8.676 0.012 . 1 . . . . . 16 LYS H . 15230 1 57 . 1 1 17 17 LYS HA H 1 4.856 0.003 . 1 . . . . . 16 LYS HA . 15230 1 58 . 1 1 17 17 LYS HB2 H 1 1.527 0.021 . 2 . . . . . 16 LYS HB2 . 15230 1 59 . 1 1 17 17 LYS HB3 H 1 1.863 0.003 . 2 . . . . . 16 LYS HB3 . 15230 1 60 . 1 1 17 17 LYS HD2 H 1 1.567 0.004 . 1 . . . . . 16 LYS HD2 . 15230 1 61 . 1 1 17 17 LYS HD3 H 1 1.567 0.004 . 1 . . . . . 16 LYS HD3 . 15230 1 62 . 1 1 17 17 LYS HE2 H 1 2.810 0.002 . 1 . . . . . 16 LYS HE2 . 15230 1 63 . 1 1 17 17 LYS HE3 H 1 2.810 0.002 . 1 . . . . . 16 LYS HE3 . 15230 1 64 . 1 1 17 17 LYS HG2 H 1 1.099 0.005 . 2 . . . . . 16 LYS HG2 . 15230 1 65 . 1 1 17 17 LYS HG3 H 1 1.313 0.004 . 2 . . . . . 16 LYS HG3 . 15230 1 66 . 1 1 17 17 LYS C C 13 175.098 0.000 . 1 . . . . . 16 LYS C . 15230 1 67 . 1 1 17 17 LYS CA C 13 56.284 0.035 . 1 . . . . . 16 LYS CA . 15230 1 68 . 1 1 17 17 LYS CB C 13 33.001 0.018 . 1 . . . . . 16 LYS CB . 15230 1 69 . 1 1 17 17 LYS CD C 13 29.420 0.039 . 1 . . . . . 16 LYS CD . 15230 1 70 . 1 1 17 17 LYS CE C 13 42.035 0.015 . 1 . . . . . 16 LYS CE . 15230 1 71 . 1 1 17 17 LYS CG C 13 25.122 0.008 . 1 . . . . . 16 LYS CG . 15230 1 72 . 1 1 17 17 LYS N N 15 123.837 0.029 . 1 . . . . . 16 LYS N . 15230 1 73 . 1 1 18 18 VAL H H 1 9.426 0.012 . 1 . . . . . 17 VAL H . 15230 1 74 . 1 1 18 18 VAL HA H 1 4.387 0.003 . 1 . . . . . 17 VAL HA . 15230 1 75 . 1 1 18 18 VAL HB H 1 1.845 0.004 . 1 . . . . . 17 VAL HB . 15230 1 76 . 1 1 18 18 VAL HG11 H 1 0.631 0.004 . 2 . . . . . 17 VAL HG11 . 15230 1 77 . 1 1 18 18 VAL HG12 H 1 0.631 0.004 . 2 . . . . . 17 VAL HG12 . 15230 1 78 . 1 1 18 18 VAL HG13 H 1 0.631 0.004 . 2 . . . . . 17 VAL HG13 . 15230 1 79 . 1 1 18 18 VAL HG21 H 1 0.687 0.002 . 2 . . . . . 17 VAL HG21 . 15230 1 80 . 1 1 18 18 VAL HG22 H 1 0.687 0.002 . 2 . . . . . 17 VAL HG22 . 15230 1 81 . 1 1 18 18 VAL HG23 H 1 0.687 0.002 . 2 . . . . . 17 VAL HG23 . 15230 1 82 . 1 1 18 18 VAL C C 13 174.205 0.000 . 1 . . . . . 17 VAL C . 15230 1 83 . 1 1 18 18 VAL CA C 13 60.865 0.019 . 1 . . . . . 17 VAL CA . 15230 1 84 . 1 1 18 18 VAL CB C 13 34.645 0.034 . 1 . . . . . 17 VAL CB . 15230 1 85 . 1 1 18 18 VAL CG1 C 13 21.284 0.021 . 2 . . . . . 17 VAL CG1 . 15230 1 86 . 1 1 18 18 VAL CG2 C 13 21.293 0.048 . 2 . . . . . 17 VAL CG2 . 15230 1 87 . 1 1 18 18 VAL N N 15 126.598 0.044 . 1 . . . . . 17 VAL N . 15230 1 88 . 1 1 19 19 ILE H H 1 7.949 0.013 . 1 . . . . . 18 ILE H . 15230 1 89 . 1 1 19 19 ILE HA H 1 4.696 0.008 . 1 . . . . . 18 ILE HA . 15230 1 90 . 1 1 19 19 ILE HB H 1 1.854 0.002 . 1 . . . . . 18 ILE HB . 15230 1 91 . 1 1 19 19 ILE HD11 H 1 0.673 0.002 . 1 . . . . . 18 ILE HD11 . 15230 1 92 . 1 1 19 19 ILE HD12 H 1 0.673 0.002 . 1 . . . . . 18 ILE HD12 . 15230 1 93 . 1 1 19 19 ILE HD13 H 1 0.673 0.002 . 1 . . . . . 18 ILE HD13 . 15230 1 94 . 1 1 19 19 ILE HG12 H 1 1.071 0.001 . 2 . . . . . 18 ILE HG12 . 15230 1 95 . 1 1 19 19 ILE HG13 H 1 1.151 0.003 . 2 . . . . . 18 ILE HG13 . 15230 1 96 . 1 1 19 19 ILE HG21 H 1 0.954 0.003 . 1 . . . . . 18 ILE HG21 . 15230 1 97 . 1 1 19 19 ILE HG22 H 1 0.954 0.003 . 1 . . . . . 18 ILE HG22 . 15230 1 98 . 1 1 19 19 ILE HG23 H 1 0.954 0.003 . 1 . . . . . 18 ILE HG23 . 15230 1 99 . 1 1 19 19 ILE C C 13 175.195 0.000 . 1 . . . . . 18 ILE C . 15230 1 100 . 1 1 19 19 ILE CA C 13 58.968 0.028 . 1 . . . . . 18 ILE CA . 15230 1 101 . 1 1 19 19 ILE CB C 13 38.484 0.013 . 1 . . . . . 18 ILE CB . 15230 1 102 . 1 1 19 19 ILE CD1 C 13 12.400 0.016 . 1 . . . . . 18 ILE CD1 . 15230 1 103 . 1 1 19 19 ILE CG1 C 13 27.985 0.039 . 1 . . . . . 18 ILE CG1 . 15230 1 104 . 1 1 19 19 ILE CG2 C 13 17.662 0.027 . 1 . . . . . 18 ILE CG2 . 15230 1 105 . 1 1 19 19 ILE N N 15 125.264 0.063 . 1 . . . . . 18 ILE N . 15230 1 106 . 1 1 20 20 MET H H 1 8.269 0.012 . 1 . . . . . 19 MET H . 15230 1 107 . 1 1 20 20 MET HA H 1 4.995 0.007 . 1 . . . . . 19 MET HA . 15230 1 108 . 1 1 20 20 MET HB2 H 1 1.688 0.002 . 2 . . . . . 19 MET HB2 . 15230 1 109 . 1 1 20 20 MET HB3 H 1 2.396 0.003 . 2 . . . . . 19 MET HB3 . 15230 1 110 . 1 1 20 20 MET HE1 H 1 1.891 0.003 . 1 . . . . . 19 MET HE1 . 15230 1 111 . 1 1 20 20 MET HE2 H 1 1.891 0.003 . 1 . . . . . 19 MET HE2 . 15230 1 112 . 1 1 20 20 MET HE3 H 1 1.891 0.003 . 1 . . . . . 19 MET HE3 . 15230 1 113 . 1 1 20 20 MET HG2 H 1 2.425 0.004 . 2 . . . . . 19 MET HG2 . 15230 1 114 . 1 1 20 20 MET HG3 H 1 2.546 0.002 . 2 . . . . . 19 MET HG3 . 15230 1 115 . 1 1 20 20 MET C C 13 175.542 0.000 . 1 . . . . . 19 MET C . 15230 1 116 . 1 1 20 20 MET CA C 13 53.254 0.012 . 1 . . . . . 19 MET CA . 15230 1 117 . 1 1 20 20 MET CB C 13 31.100 0.033 . 1 . . . . . 19 MET CB . 15230 1 118 . 1 1 20 20 MET CE C 13 16.340 0.043 . 1 . . . . . 19 MET CE . 15230 1 119 . 1 1 20 20 MET CG C 13 31.099 0.035 . 1 . . . . . 19 MET CG . 15230 1 120 . 1 1 20 20 MET N N 15 123.265 0.028 . 1 . . . . . 19 MET N . 15230 1 121 . 1 1 21 21 VAL H H 1 8.948 0.011 . 1 . . . . . 20 VAL H . 15230 1 122 . 1 1 21 21 VAL HA H 1 4.313 0.003 . 1 . . . . . 20 VAL HA . 15230 1 123 . 1 1 21 21 VAL HB H 1 1.859 0.002 . 1 . . . . . 20 VAL HB . 15230 1 124 . 1 1 21 21 VAL HG11 H 1 0.558 0.002 . 2 . . . . . 20 VAL HG11 . 15230 1 125 . 1 1 21 21 VAL HG12 H 1 0.558 0.002 . 2 . . . . . 20 VAL HG12 . 15230 1 126 . 1 1 21 21 VAL HG13 H 1 0.558 0.002 . 2 . . . . . 20 VAL HG13 . 15230 1 127 . 1 1 21 21 VAL HG21 H 1 0.866 0.001 . 2 . . . . . 20 VAL HG21 . 15230 1 128 . 1 1 21 21 VAL HG22 H 1 0.866 0.001 . 2 . . . . . 20 VAL HG22 . 15230 1 129 . 1 1 21 21 VAL HG23 H 1 0.866 0.001 . 2 . . . . . 20 VAL HG23 . 15230 1 130 . 1 1 21 21 VAL C C 13 173.091 0.000 . 1 . . . . . 20 VAL C . 15230 1 131 . 1 1 21 21 VAL CA C 13 60.500 0.031 . 1 . . . . . 20 VAL CA . 15230 1 132 . 1 1 21 21 VAL CB C 13 35.140 0.059 . 1 . . . . . 20 VAL CB . 15230 1 133 . 1 1 21 21 VAL CG1 C 13 22.490 0.041 . 2 . . . . . 20 VAL CG1 . 15230 1 134 . 1 1 21 21 VAL CG2 C 13 22.968 0.029 . 2 . . . . . 20 VAL CG2 . 15230 1 135 . 1 1 21 21 VAL N N 15 122.913 0.039 . 1 . . . . . 20 VAL N . 15230 1 136 . 1 1 22 22 GLY H H 1 7.512 0.011 . 1 . . . . . 21 GLY H . 15230 1 137 . 1 1 22 22 GLY HA2 H 1 3.596 0.002 . 2 . . . . . 21 GLY HA2 . 15230 1 138 . 1 1 22 22 GLY HA3 H 1 4.594 0.001 . 2 . . . . . 21 GLY HA3 . 15230 1 139 . 1 1 22 22 GLY C C 13 173.242 0.000 . 1 . . . . . 21 GLY C . 15230 1 140 . 1 1 22 22 GLY CA C 13 45.306 0.011 . 1 . . . . . 21 GLY CA . 15230 1 141 . 1 1 22 22 GLY N N 15 111.720 0.042 . 1 . . . . . 21 GLY N . 15230 1 142 . 1 1 23 23 SER H H 1 9.736 0.027 . 1 . . . . . 22 SER H . 15230 1 143 . 1 1 23 23 SER HA H 1 4.496 0.004 . 1 . . . . . 22 SER HA . 15230 1 144 . 1 1 23 23 SER HB2 H 1 3.967 0.006 . 1 . . . . . 22 SER HB2 . 15230 1 145 . 1 1 23 23 SER HB3 H 1 3.967 0.006 . 1 . . . . . 22 SER HB3 . 15230 1 146 . 1 1 23 23 SER C C 13 173.786 0.000 . 1 . . . . . 22 SER C . 15230 1 147 . 1 1 23 23 SER CA C 13 59.857 0.049 . 1 . . . . . 22 SER CA . 15230 1 148 . 1 1 23 23 SER CB C 13 64.154 0.040 . 1 . . . . . 22 SER CB . 15230 1 149 . 1 1 23 23 SER N N 15 117.952 0.047 . 1 . . . . . 22 SER N . 15230 1 150 . 1 1 24 24 GLY H H 1 8.590 0.017 . 1 . . . . . 23 GLY H . 15230 1 151 . 1 1 24 24 GLY HA2 H 1 3.710 0.003 . 2 . . . . . 23 GLY HA2 . 15230 1 152 . 1 1 24 24 GLY HA3 H 1 4.783 0.021 . 2 . . . . . 23 GLY HA3 . 15230 1 153 . 1 1 24 24 GLY C C 13 176.880 0.000 . 1 . . . . . 23 GLY C . 15230 1 154 . 1 1 24 24 GLY CA C 13 46.962 0.051 . 1 . . . . . 23 GLY CA . 15230 1 155 . 1 1 24 24 GLY N N 15 107.365 0.038 . 1 . . . . . 23 GLY N . 15230 1 156 . 1 1 25 25 GLY H H 1 9.046 0.023 . 1 . . . . . 24 GLY H . 15230 1 157 . 1 1 25 25 GLY HA2 H 1 4.082 0.004 . 2 . . . . . 24 GLY HA2 . 15230 1 158 . 1 1 25 25 GLY HA3 H 1 4.083 0.005 . 2 . . . . . 24 GLY HA3 . 15230 1 159 . 1 1 25 25 GLY C C 13 174.037 0.000 . 1 . . . . . 24 GLY C . 15230 1 160 . 1 1 25 25 GLY CA C 13 46.302 0.017 . 1 . . . . . 24 GLY CA . 15230 1 161 . 1 1 25 25 GLY N N 15 113.480 0.054 . 1 . . . . . 24 GLY N . 15230 1 162 . 1 1 26 26 VAL H H 1 7.254 0.011 . 1 . . . . . 25 VAL H . 15230 1 163 . 1 1 26 26 VAL HA H 1 3.778 0.005 . 1 . . . . . 25 VAL HA . 15230 1 164 . 1 1 26 26 VAL HB H 1 1.911 0.003 . 1 . . . . . 25 VAL HB . 15230 1 165 . 1 1 26 26 VAL HG11 H 1 0.912 0.004 . 2 . . . . . 25 VAL HG11 . 15230 1 166 . 1 1 26 26 VAL HG12 H 1 0.912 0.004 . 2 . . . . . 25 VAL HG12 . 15230 1 167 . 1 1 26 26 VAL HG13 H 1 0.912 0.004 . 2 . . . . . 25 VAL HG13 . 15230 1 168 . 1 1 26 26 VAL HG21 H 1 1.027 0.003 . 2 . . . . . 25 VAL HG21 . 15230 1 169 . 1 1 26 26 VAL HG22 H 1 1.027 0.003 . 2 . . . . . 25 VAL HG22 . 15230 1 170 . 1 1 26 26 VAL HG23 H 1 1.027 0.003 . 2 . . . . . 25 VAL HG23 . 15230 1 171 . 1 1 26 26 VAL C C 13 174.390 0.000 . 1 . . . . . 25 VAL C . 15230 1 172 . 1 1 26 26 VAL CA C 13 63.167 0.014 . 1 . . . . . 25 VAL CA . 15230 1 173 . 1 1 26 26 VAL CB C 13 31.919 0.058 . 1 . . . . . 25 VAL CB . 15230 1 174 . 1 1 26 26 VAL CG1 C 13 17.535 0.043 . 2 . . . . . 25 VAL CG1 . 15230 1 175 . 1 1 26 26 VAL CG2 C 13 22.406 0.035 . 2 . . . . . 25 VAL CG2 . 15230 1 176 . 1 1 26 26 VAL N N 15 111.497 0.044 . 1 . . . . . 25 VAL N . 15230 1 177 . 1 1 27 27 GLY H H 1 8.279 0.007 . 1 . . . . . 26 GLY H . 15230 1 178 . 1 1 27 27 GLY HA2 H 1 4.352 0.006 . 2 . . . . . 26 GLY HA2 . 15230 1 179 . 1 1 27 27 GLY HA3 H 1 4.576 0.003 . 2 . . . . . 26 GLY HA3 . 15230 1 180 . 1 1 27 27 GLY C C 13 173.844 0.000 . 1 . . . . . 26 GLY C . 15230 1 181 . 1 1 27 27 GLY CA C 13 45.654 0.044 . 1 . . . . . 26 GLY CA . 15230 1 182 . 1 1 27 27 GLY N N 15 106.780 0.054 . 1 . . . . . 26 GLY N . 15230 1 183 . 1 1 28 28 LYS H H 1 9.100 0.014 . 1 . . . . . 27 LYS H . 15230 1 184 . 1 1 28 28 LYS HA H 1 3.604 0.002 . 1 . . . . . 27 LYS HA . 15230 1 185 . 1 1 28 28 LYS HB2 H 1 1.660 0.004 . 2 . . . . . 27 LYS HB2 . 15230 1 186 . 1 1 28 28 LYS HB3 H 1 2.424 0.003 . 2 . . . . . 27 LYS HB3 . 15230 1 187 . 1 1 28 28 LYS C C 13 179.426 0.000 . 1 . . . . . 27 LYS C . 15230 1 188 . 1 1 28 28 LYS CA C 13 61.121 0.041 . 1 . . . . . 27 LYS CA . 15230 1 189 . 1 1 28 28 LYS CB C 13 29.998 0.026 . 1 . . . . . 27 LYS CB . 15230 1 190 . 1 1 28 28 LYS N N 15 123.242 0.059 . 1 . . . . . 27 LYS N . 15230 1 191 . 1 1 29 29 SER H H 1 9.581 0.011 . 1 . . . . . 28 SER H . 15230 1 192 . 1 1 29 29 SER HA H 1 4.322 0.002 . 1 . . . . . 28 SER HA . 15230 1 193 . 1 1 29 29 SER HB2 H 1 3.689 0.001 . 2 . . . . . 28 SER HB2 . 15230 1 194 . 1 1 29 29 SER HB3 H 1 4.211 0.002 . 2 . . . . . 28 SER HB3 . 15230 1 195 . 1 1 29 29 SER C C 13 175.596 0.000 . 1 . . . . . 28 SER C . 15230 1 196 . 1 1 29 29 SER CA C 13 61.270 0.046 . 1 . . . . . 28 SER CA . 15230 1 197 . 1 1 29 29 SER CB C 13 61.270 0.033 . 1 . . . . . 28 SER CB . 15230 1 198 . 1 1 29 29 SER N N 15 120.214 0.045 . 1 . . . . . 28 SER N . 15230 1 199 . 1 1 30 30 ALA H H 1 9.358 0.015 . 1 . . . . . 29 ALA H . 15230 1 200 . 1 1 30 30 ALA HA H 1 4.044 0.004 . 1 . . . . . 29 ALA HA . 15230 1 201 . 1 1 30 30 ALA HB1 H 1 1.403 0.004 . 1 . . . . . 29 ALA HB1 . 15230 1 202 . 1 1 30 30 ALA HB2 H 1 1.403 0.004 . 1 . . . . . 29 ALA HB2 . 15230 1 203 . 1 1 30 30 ALA HB3 H 1 1.403 0.004 . 1 . . . . . 29 ALA HB3 . 15230 1 204 . 1 1 30 30 ALA C C 13 182.055 0.000 . 1 . . . . . 29 ALA C . 15230 1 205 . 1 1 30 30 ALA CA C 13 54.636 0.037 . 1 . . . . . 29 ALA CA . 15230 1 206 . 1 1 30 30 ALA CB C 13 18.901 0.051 . 1 . . . . . 29 ALA CB . 15230 1 207 . 1 1 30 30 ALA N N 15 125.659 0.047 . 1 . . . . . 29 ALA N . 15230 1 208 . 1 1 31 31 LEU H H 1 8.761 0.009 . 1 . . . . . 30 LEU H . 15230 1 209 . 1 1 31 31 LEU HA H 1 3.891 0.003 . 1 . . . . . 30 LEU HA . 15230 1 210 . 1 1 31 31 LEU HB2 H 1 1.167 0.005 . 2 . . . . . 30 LEU HB2 . 15230 1 211 . 1 1 31 31 LEU HB3 H 1 2.130 0.010 . 2 . . . . . 30 LEU HB3 . 15230 1 212 . 1 1 31 31 LEU HD11 H 1 0.597 0.004 . 2 . . . . . 30 LEU HD11 . 15230 1 213 . 1 1 31 31 LEU HD12 H 1 0.597 0.004 . 2 . . . . . 30 LEU HD12 . 15230 1 214 . 1 1 31 31 LEU HD13 H 1 0.597 0.004 . 2 . . . . . 30 LEU HD13 . 15230 1 215 . 1 1 31 31 LEU HD21 H 1 0.783 0.004 . 2 . . . . . 30 LEU HD21 . 15230 1 216 . 1 1 31 31 LEU HD22 H 1 0.783 0.004 . 2 . . . . . 30 LEU HD22 . 15230 1 217 . 1 1 31 31 LEU HD23 H 1 0.783 0.004 . 2 . . . . . 30 LEU HD23 . 15230 1 218 . 1 1 31 31 LEU HG H 1 1.840 0.006 . 1 . . . . . 30 LEU HG . 15230 1 219 . 1 1 31 31 LEU C C 13 177.853 0.000 . 1 . . . . . 30 LEU C . 15230 1 220 . 1 1 31 31 LEU CA C 13 58.914 0.068 . 1 . . . . . 30 LEU CA . 15230 1 221 . 1 1 31 31 LEU CB C 13 43.623 0.043 . 1 . . . . . 30 LEU CB . 15230 1 222 . 1 1 31 31 LEU CD1 C 13 26.682 0.036 . 2 . . . . . 30 LEU CD1 . 15230 1 223 . 1 1 31 31 LEU CD2 C 13 24.293 0.040 . 2 . . . . . 30 LEU CD2 . 15230 1 224 . 1 1 31 31 LEU CG C 13 27.582 0.020 . 1 . . . . . 30 LEU CG . 15230 1 225 . 1 1 31 31 LEU N N 15 119.393 0.054 . 1 . . . . . 30 LEU N . 15230 1 226 . 1 1 32 32 THR H H 1 7.571 0.016 . 1 . . . . . 31 THR H . 15230 1 227 . 1 1 32 32 THR HA H 1 4.132 0.003 . 1 . . . . . 31 THR HA . 15230 1 228 . 1 1 32 32 THR HB H 1 3.360 0.002 . 1 . . . . . 31 THR HB . 15230 1 229 . 1 1 32 32 THR HG21 H 1 0.442 0.004 . 1 . . . . . 31 THR HG21 . 15230 1 230 . 1 1 32 32 THR HG22 H 1 0.442 0.004 . 1 . . . . . 31 THR HG22 . 15230 1 231 . 1 1 32 32 THR HG23 H 1 0.442 0.004 . 1 . . . . . 31 THR HG23 . 15230 1 232 . 1 1 32 32 THR C C 13 176.056 0.000 . 1 . . . . . 31 THR C . 15230 1 233 . 1 1 32 32 THR CA C 13 68.182 0.078 . 1 . . . . . 31 THR CA . 15230 1 234 . 1 1 32 32 THR CB C 13 68.539 0.013 . 1 . . . . . 31 THR CB . 15230 1 235 . 1 1 32 32 THR CG2 C 13 21.621 0.028 . 1 . . . . . 31 THR CG2 . 15230 1 236 . 1 1 32 32 THR N N 15 116.523 0.062 . 1 . . . . . 31 THR N . 15230 1 237 . 1 1 33 33 LEU H H 1 8.937 0.012 . 1 . . . . . 32 LEU H . 15230 1 238 . 1 1 33 33 LEU HA H 1 3.655 0.004 . 1 . . . . . 32 LEU HA . 15230 1 239 . 1 1 33 33 LEU HB2 H 1 1.439 0.003 . 2 . . . . . 32 LEU HB2 . 15230 1 240 . 1 1 33 33 LEU HB3 H 1 1.902 0.003 . 2 . . . . . 32 LEU HB3 . 15230 1 241 . 1 1 33 33 LEU HD11 H 1 0.666 0.003 . 2 . . . . . 32 LEU HD11 . 15230 1 242 . 1 1 33 33 LEU HD12 H 1 0.666 0.003 . 2 . . . . . 32 LEU HD12 . 15230 1 243 . 1 1 33 33 LEU HD13 H 1 0.666 0.003 . 2 . . . . . 32 LEU HD13 . 15230 1 244 . 1 1 33 33 LEU HD21 H 1 0.747 0.003 . 2 . . . . . 32 LEU HD21 . 15230 1 245 . 1 1 33 33 LEU HD22 H 1 0.747 0.003 . 2 . . . . . 32 LEU HD22 . 15230 1 246 . 1 1 33 33 LEU HD23 H 1 0.747 0.003 . 2 . . . . . 32 LEU HD23 . 15230 1 247 . 1 1 33 33 LEU HG H 1 1.615 0.004 . 1 . . . . . 32 LEU HG . 15230 1 248 . 1 1 33 33 LEU C C 13 180.087 0.000 . 1 . . . . . 32 LEU C . 15230 1 249 . 1 1 33 33 LEU CA C 13 58.342 0.036 . 1 . . . . . 32 LEU CA . 15230 1 250 . 1 1 33 33 LEU CB C 13 40.842 0.053 . 1 . . . . . 32 LEU CB . 15230 1 251 . 1 1 33 33 LEU CD1 C 13 25.111 0.011 . 2 . . . . . 32 LEU CD1 . 15230 1 252 . 1 1 33 33 LEU CD2 C 13 22.388 0.015 . 2 . . . . . 32 LEU CD2 . 15230 1 253 . 1 1 33 33 LEU CG C 13 27.420 0.042 . 1 . . . . . 32 LEU CG . 15230 1 254 . 1 1 33 33 LEU N N 15 120.261 0.059 . 1 . . . . . 32 LEU N . 15230 1 255 . 1 1 34 34 GLN H H 1 7.894 0.014 . 1 . . . . . 33 GLN H . 15230 1 256 . 1 1 34 34 GLN HA H 1 4.425 0.002 . 1 . . . . . 33 GLN HA . 15230 1 257 . 1 1 34 34 GLN HB2 H 1 2.091 0.003 . 1 . . . . . 33 GLN HB2 . 15230 1 258 . 1 1 34 34 GLN HB3 H 1 2.091 0.003 . 1 . . . . . 33 GLN HB3 . 15230 1 259 . 1 1 34 34 GLN HE21 H 1 6.521 0.027 . 1 . . . . . 33 GLN HE21 . 15230 1 260 . 1 1 34 34 GLN HE22 H 1 7.762 0.024 . 1 . . . . . 33 GLN HE22 . 15230 1 261 . 1 1 34 34 GLN HG2 H 1 2.305 0.006 . 2 . . . . . 33 GLN HG2 . 15230 1 262 . 1 1 34 34 GLN HG3 H 1 2.588 0.003 . 2 . . . . . 33 GLN HG3 . 15230 1 263 . 1 1 34 34 GLN C C 13 178.413 0.000 . 1 . . . . . 33 GLN C . 15230 1 264 . 1 1 34 34 GLN CA C 13 58.541 0.088 . 1 . . . . . 33 GLN CA . 15230 1 265 . 1 1 34 34 GLN CB C 13 30.160 0.031 . 1 . . . . . 33 GLN CB . 15230 1 266 . 1 1 34 34 GLN CD C 13 178.715 0.014 . 1 . . . . . 33 GLN CD . 15230 1 267 . 1 1 34 34 GLN CG C 13 33.935 0.037 . 1 . . . . . 33 GLN CG . 15230 1 268 . 1 1 34 34 GLN N N 15 120.338 0.052 . 1 . . . . . 33 GLN N . 15230 1 269 . 1 1 34 34 GLN NE2 N 15 107.449 0.070 . 1 . . . . . 33 GLN NE2 . 15230 1 270 . 1 1 35 35 PHE H H 1 8.005 0.013 . 1 . . . . . 34 PHE H . 15230 1 271 . 1 1 35 35 PHE HA H 1 3.813 0.002 . 1 . . . . . 34 PHE HA . 15230 1 272 . 1 1 35 35 PHE HB2 H 1 2.211 0.003 . 2 . . . . . 34 PHE HB2 . 15230 1 273 . 1 1 35 35 PHE HB3 H 1 2.602 0.002 . 2 . . . . . 34 PHE HB3 . 15230 1 274 . 1 1 35 35 PHE HD1 H 1 6.496 0.002 . 3 . . . . . 34 PHE HD1 . 15230 1 275 . 1 1 35 35 PHE HD2 H 1 6.496 0.002 . 3 . . . . . 34 PHE HD2 . 15230 1 276 . 1 1 35 35 PHE HE1 H 1 6.917 0.006 . 3 . . . . . 34 PHE HE1 . 15230 1 277 . 1 1 35 35 PHE HE2 H 1 6.917 0.006 . 3 . . . . . 34 PHE HE2 . 15230 1 278 . 1 1 35 35 PHE HZ H 1 6.648 0.003 . 1 . . . . . 34 PHE HZ . 15230 1 279 . 1 1 35 35 PHE C C 13 177.648 0.000 . 1 . . . . . 34 PHE C . 15230 1 280 . 1 1 35 35 PHE CA C 13 61.452 0.020 . 1 . . . . . 34 PHE CA . 15230 1 281 . 1 1 35 35 PHE CB C 13 39.829 0.022 . 1 . . . . . 34 PHE CB . 15230 1 282 . 1 1 35 35 PHE CD1 C 13 131.731 0.037 . 3 . . . . . 34 PHE CD1 . 15230 1 283 . 1 1 35 35 PHE CD2 C 13 131.731 0.037 . 3 . . . . . 34 PHE CD2 . 15230 1 284 . 1 1 35 35 PHE CE1 C 13 130.387 0.020 . 3 . . . . . 34 PHE CE1 . 15230 1 285 . 1 1 35 35 PHE CE2 C 13 130.387 0.020 . 3 . . . . . 34 PHE CE2 . 15230 1 286 . 1 1 35 35 PHE CZ C 13 127.568 0.024 . 1 . . . . . 34 PHE CZ . 15230 1 287 . 1 1 35 35 PHE N N 15 119.452 0.053 . 1 . . . . . 34 PHE N . 15230 1 288 . 1 1 36 36 MET H H 1 8.501 0.012 . 1 . . . . . 35 MET H . 15230 1 289 . 1 1 36 36 MET HA H 1 3.577 0.004 . 1 . . . . . 35 MET HA . 15230 1 290 . 1 1 36 36 MET HB2 H 1 0.182 0.003 . 2 . . . . . 35 MET HB2 . 15230 1 291 . 1 1 36 36 MET HB3 H 1 1.137 0.005 . 2 . . . . . 35 MET HB3 . 15230 1 292 . 1 1 36 36 MET HE1 H 1 1.729 0.004 . 1 . . . . . 35 MET HE1 . 15230 1 293 . 1 1 36 36 MET HE2 H 1 1.729 0.004 . 1 . . . . . 35 MET HE2 . 15230 1 294 . 1 1 36 36 MET HE3 H 1 1.729 0.004 . 1 . . . . . 35 MET HE3 . 15230 1 295 . 1 1 36 36 MET HG2 H 1 2.004 0.003 . 1 . . . . . 35 MET HG2 . 15230 1 296 . 1 1 36 36 MET HG3 H 1 2.004 0.003 . 1 . . . . . 35 MET HG3 . 15230 1 297 . 1 1 36 36 MET C C 13 178.401 0.000 . 1 . . . . . 35 MET C . 15230 1 298 . 1 1 36 36 MET CA C 13 56.247 0.033 . 1 . . . . . 35 MET CA . 15230 1 299 . 1 1 36 36 MET CB C 13 30.246 0.061 . 1 . . . . . 35 MET CB . 15230 1 300 . 1 1 36 36 MET CE C 13 15.615 0.016 . 1 . . . . . 35 MET CE . 15230 1 301 . 1 1 36 36 MET CG C 13 31.769 0.012 . 1 . . . . . 35 MET CG . 15230 1 302 . 1 1 36 36 MET N N 15 114.113 0.038 . 1 . . . . . 35 MET N . 15230 1 303 . 1 1 37 37 TYR H H 1 7.890 0.014 . 1 . . . . . 36 TYR H . 15230 1 304 . 1 1 37 37 TYR HA H 1 4.917 0.002 . 1 . . . . . 36 TYR HA . 15230 1 305 . 1 1 37 37 TYR HB2 H 1 2.573 0.002 . 2 . . . . . 36 TYR HB2 . 15230 1 306 . 1 1 37 37 TYR HB3 H 1 3.397 0.002 . 2 . . . . . 36 TYR HB3 . 15230 1 307 . 1 1 37 37 TYR HD1 H 1 7.046 0.003 . 3 . . . . . 36 TYR HD1 . 15230 1 308 . 1 1 37 37 TYR HD2 H 1 7.046 0.003 . 3 . . . . . 36 TYR HD2 . 15230 1 309 . 1 1 37 37 TYR HE1 H 1 6.748 0.006 . 3 . . . . . 36 TYR HE1 . 15230 1 310 . 1 1 37 37 TYR HE2 H 1 6.748 0.006 . 3 . . . . . 36 TYR HE2 . 15230 1 311 . 1 1 37 37 TYR C C 13 175.114 0.000 . 1 . . . . . 36 TYR C . 15230 1 312 . 1 1 37 37 TYR CA C 13 56.389 0.036 . 1 . . . . . 36 TYR CA . 15230 1 313 . 1 1 37 37 TYR CB C 13 40.251 0.017 . 1 . . . . . 36 TYR CB . 15230 1 314 . 1 1 37 37 TYR CD1 C 13 133.323 0.044 . 3 . . . . . 36 TYR CD1 . 15230 1 315 . 1 1 37 37 TYR CD2 C 13 133.323 0.044 . 3 . . . . . 36 TYR CD2 . 15230 1 316 . 1 1 37 37 TYR CE1 C 13 117.886 0.053 . 3 . . . . . 36 TYR CE1 . 15230 1 317 . 1 1 37 37 TYR CE2 C 13 117.886 0.053 . 3 . . . . . 36 TYR CE2 . 15230 1 318 . 1 1 37 37 TYR N N 15 115.184 0.058 . 1 . . . . . 36 TYR N . 15230 1 319 . 1 1 38 38 ASP H H 1 8.204 0.011 . 1 . . . . . 37 ASP H . 15230 1 320 . 1 1 38 38 ASP HA H 1 4.729 0.002 . 1 . . . . . 37 ASP HA . 15230 1 321 . 1 1 38 38 ASP HB2 H 1 2.799 0.006 . 2 . . . . . 37 ASP HB2 . 15230 1 322 . 1 1 38 38 ASP HB3 H 1 2.882 0.004 . 2 . . . . . 37 ASP HB3 . 15230 1 323 . 1 1 38 38 ASP C C 13 175.003 0.000 . 1 . . . . . 37 ASP C . 15230 1 324 . 1 1 38 38 ASP CA C 13 55.326 0.015 . 1 . . . . . 37 ASP CA . 15230 1 325 . 1 1 38 38 ASP CB C 13 39.381 0.068 . 1 . . . . . 37 ASP CB . 15230 1 326 . 1 1 38 38 ASP N N 15 117.804 0.033 . 1 . . . . . 37 ASP N . 15230 1 327 . 1 1 39 39 GLU H H 1 6.822 0.013 . 1 . . . . . 38 GLU H . 15230 1 328 . 1 1 39 39 GLU HA H 1 4.554 0.002 . 1 . . . . . 38 GLU HA . 15230 1 329 . 1 1 39 39 GLU HB2 H 1 1.540 0.008 . 2 . . . . . 38 GLU HB2 . 15230 1 330 . 1 1 39 39 GLU HB3 H 1 1.740 0.003 . 2 . . . . . 38 GLU HB3 . 15230 1 331 . 1 1 39 39 GLU HG2 H 1 1.985 0.004 . 2 . . . . . 38 GLU HG2 . 15230 1 332 . 1 1 39 39 GLU HG3 H 1 2.039 0.003 . 2 . . . . . 38 GLU HG3 . 15230 1 333 . 1 1 39 39 GLU C C 13 174.668 0.000 . 1 . . . . . 38 GLU C . 15230 1 334 . 1 1 39 39 GLU CA C 13 54.456 0.029 . 1 . . . . . 38 GLU CA . 15230 1 335 . 1 1 39 39 GLU CB C 13 33.874 0.060 . 1 . . . . . 38 GLU CB . 15230 1 336 . 1 1 39 39 GLU CG C 13 35.412 0.017 . 1 . . . . . 38 GLU CG . 15230 1 337 . 1 1 39 39 GLU N N 15 114.880 0.050 . 1 . . . . . 38 GLU N . 15230 1 338 . 1 1 40 40 PHE H H 1 8.459 0.012 . 1 . . . . . 39 PHE H . 15230 1 339 . 1 1 40 40 PHE HA H 1 4.834 0.002 . 1 . . . . . 39 PHE HA . 15230 1 340 . 1 1 40 40 PHE HB2 H 1 2.758 0.002 . 2 . . . . . 39 PHE HB2 . 15230 1 341 . 1 1 40 40 PHE HB3 H 1 2.946 0.002 . 2 . . . . . 39 PHE HB3 . 15230 1 342 . 1 1 40 40 PHE HD1 H 1 6.996 0.005 . 3 . . . . . 39 PHE HD1 . 15230 1 343 . 1 1 40 40 PHE HD2 H 1 6.996 0.005 . 3 . . . . . 39 PHE HD2 . 15230 1 344 . 1 1 40 40 PHE HE1 H 1 6.435 0.005 . 3 . . . . . 39 PHE HE1 . 15230 1 345 . 1 1 40 40 PHE HE2 H 1 6.435 0.005 . 3 . . . . . 39 PHE HE2 . 15230 1 346 . 1 1 40 40 PHE HZ H 1 6.616 0.006 . 1 . . . . . 39 PHE HZ . 15230 1 347 . 1 1 40 40 PHE C C 13 174.377 0.000 . 1 . . . . . 39 PHE C . 15230 1 348 . 1 1 40 40 PHE CA C 13 56.264 0.028 . 1 . . . . . 39 PHE CA . 15230 1 349 . 1 1 40 40 PHE CB C 13 40.376 0.018 . 1 . . . . . 39 PHE CB . 15230 1 350 . 1 1 40 40 PHE CD1 C 13 131.986 0.045 . 3 . . . . . 39 PHE CD1 . 15230 1 351 . 1 1 40 40 PHE CD2 C 13 131.986 0.045 . 3 . . . . . 39 PHE CD2 . 15230 1 352 . 1 1 40 40 PHE CE1 C 13 129.890 0.020 . 3 . . . . . 39 PHE CE1 . 15230 1 353 . 1 1 40 40 PHE CE2 C 13 129.890 0.020 . 3 . . . . . 39 PHE CE2 . 15230 1 354 . 1 1 40 40 PHE CZ C 13 129.898 0.016 . 1 . . . . . 39 PHE CZ . 15230 1 355 . 1 1 40 40 PHE N N 15 121.882 0.046 . 1 . . . . . 39 PHE N . 15230 1 356 . 1 1 41 41 VAL H H 1 7.819 0.011 . 1 . . . . . 40 VAL H . 15230 1 357 . 1 1 41 41 VAL HA H 1 3.805 0.002 . 1 . . . . . 40 VAL HA . 15230 1 358 . 1 1 41 41 VAL HB H 1 1.686 0.002 . 1 . . . . . 40 VAL HB . 15230 1 359 . 1 1 41 41 VAL HG11 H 1 0.682 0.003 . 2 . . . . . 40 VAL HG11 . 15230 1 360 . 1 1 41 41 VAL HG12 H 1 0.682 0.003 . 2 . . . . . 40 VAL HG12 . 15230 1 361 . 1 1 41 41 VAL HG13 H 1 0.682 0.003 . 2 . . . . . 40 VAL HG13 . 15230 1 362 . 1 1 41 41 VAL HG21 H 1 0.682 0.003 . 2 . . . . . 40 VAL HG21 . 15230 1 363 . 1 1 41 41 VAL HG22 H 1 0.682 0.003 . 2 . . . . . 40 VAL HG22 . 15230 1 364 . 1 1 41 41 VAL HG23 H 1 0.682 0.003 . 2 . . . . . 40 VAL HG23 . 15230 1 365 . 1 1 41 41 VAL C C 13 174.199 0.000 . 1 . . . . . 40 VAL C . 15230 1 366 . 1 1 41 41 VAL CA C 13 61.084 0.029 . 1 . . . . . 40 VAL CA . 15230 1 367 . 1 1 41 41 VAL CB C 13 32.964 0.026 . 1 . . . . . 40 VAL CB . 15230 1 368 . 1 1 41 41 VAL CG1 C 13 20.550 0.030 . 1 . . . . . 40 VAL CG1 . 15230 1 369 . 1 1 41 41 VAL CG2 C 13 20.550 0.030 . 1 . . . . . 40 VAL CG2 . 15230 1 370 . 1 1 41 41 VAL N N 15 128.081 0.050 . 1 . . . . . 40 VAL N . 15230 1 371 . 1 1 42 42 GLU H H 1 7.953 0.011 . 1 . . . . . 41 GLU H . 15230 1 372 . 1 1 42 42 GLU HA H 1 3.676 0.003 . 1 . . . . . 41 GLU HA . 15230 1 373 . 1 1 42 42 GLU HB2 H 1 1.735 0.003 . 1 . . . . . 41 GLU HB2 . 15230 1 374 . 1 1 42 42 GLU HB3 H 1 1.735 0.003 . 1 . . . . . 41 GLU HB3 . 15230 1 375 . 1 1 42 42 GLU HG2 H 1 2.061 0.002 . 2 . . . . . 41 GLU HG2 . 15230 1 376 . 1 1 42 42 GLU HG3 H 1 2.061 0.002 . 2 . . . . . 41 GLU HG3 . 15230 1 377 . 1 1 42 42 GLU C C 13 176.773 0.000 . 1 . . . . . 41 GLU C . 15230 1 378 . 1 1 42 42 GLU CA C 13 57.473 0.019 . 1 . . . . . 41 GLU CA . 15230 1 379 . 1 1 42 42 GLU CB C 13 30.565 0.023 . 1 . . . . . 41 GLU CB . 15230 1 380 . 1 1 42 42 GLU CG C 13 36.623 0.017 . 1 . . . . . 41 GLU CG . 15230 1 381 . 1 1 42 42 GLU N N 15 124.238 0.027 . 1 . . . . . 41 GLU N . 15230 1 382 . 1 1 43 43 ASP H H 1 7.779 0.012 . 1 . . . . . 42 ASP H . 15230 1 383 . 1 1 43 43 ASP HA H 1 4.488 0.003 . 1 . . . . . 42 ASP HA . 15230 1 384 . 1 1 43 43 ASP HB2 H 1 2.478 0.001 . 2 . . . . . 42 ASP HB2 . 15230 1 385 . 1 1 43 43 ASP HB3 H 1 2.602 0.000 . 2 . . . . . 42 ASP HB3 . 15230 1 386 . 1 1 43 43 ASP CA C 13 54.105 0.019 . 1 . . . . . 42 ASP CA . 15230 1 387 . 1 1 43 43 ASP CB C 13 41.056 0.005 . 1 . . . . . 42 ASP CB . 15230 1 388 . 1 1 43 43 ASP N N 15 118.776 0.066 . 1 . . . . . 42 ASP N . 15230 1 389 . 1 1 44 44 TYR H H 1 7.963 0.007 . 1 . . . . . 43 TYR H . 15230 1 390 . 1 1 44 44 TYR HB2 H 1 2.809 0.000 . 1 . . . . . 43 TYR HB2 . 15230 1 391 . 1 1 44 44 TYR HB3 H 1 2.809 0.000 . 1 . . . . . 43 TYR HB3 . 15230 1 392 . 1 1 44 44 TYR HD1 H 1 7.012 0.002 . 3 . . . . . 43 TYR HD1 . 15230 1 393 . 1 1 44 44 TYR HD2 H 1 7.012 0.002 . 3 . . . . . 43 TYR HD2 . 15230 1 394 . 1 1 44 44 TYR HE1 H 1 6.764 0.000 . 3 . . . . . 43 TYR HE1 . 15230 1 395 . 1 1 44 44 TYR HE2 H 1 6.764 0.000 . 3 . . . . . 43 TYR HE2 . 15230 1 396 . 1 1 44 44 TYR CD1 C 13 132.888 0.026 . 3 . . . . . 43 TYR CD1 . 15230 1 397 . 1 1 44 44 TYR CD2 C 13 132.888 0.026 . 3 . . . . . 43 TYR CD2 . 15230 1 398 . 1 1 44 44 TYR CE1 C 13 117.710 0.030 . 3 . . . . . 43 TYR CE1 . 15230 1 399 . 1 1 44 44 TYR CE2 C 13 117.710 0.030 . 3 . . . . . 43 TYR CE2 . 15230 1 400 . 1 1 44 44 TYR N N 15 120.380 0.039 . 1 . . . . . 43 TYR N . 15230 1 401 . 1 1 45 45 GLU HA H 1 4.547 0.002 . 1 . . . . . 44 GLU HA . 15230 1 402 . 1 1 45 45 GLU HB2 H 1 1.692 0.000 . 2 . . . . . 44 GLU HB2 . 15230 1 403 . 1 1 45 45 GLU HB3 H 1 1.763 0.001 . 2 . . . . . 44 GLU HB3 . 15230 1 404 . 1 1 45 45 GLU HG2 H 1 2.064 0.002 . 1 . . . . . 44 GLU HG2 . 15230 1 405 . 1 1 45 45 GLU HG3 H 1 2.064 0.002 . 1 . . . . . 44 GLU HG3 . 15230 1 406 . 1 1 45 45 GLU CA C 13 53.401 0.003 . 1 . . . . . 44 GLU CA . 15230 1 407 . 1 1 45 45 GLU CB C 13 28.453 0.033 . 1 . . . . . 44 GLU CB . 15230 1 408 . 1 1 45 45 GLU CG C 13 35.699 0.008 . 1 . . . . . 44 GLU CG . 15230 1 409 . 1 1 46 46 PRO HA H 1 4.468 0.003 . 1 . . . . . 45 PRO HA . 15230 1 410 . 1 1 46 46 PRO HB2 H 1 1.860 0.001 . 2 . . . . . 45 PRO HB2 . 15230 1 411 . 1 1 46 46 PRO HB3 H 1 2.297 0.004 . 2 . . . . . 45 PRO HB3 . 15230 1 412 . 1 1 46 46 PRO HD2 H 1 3.303 0.003 . 2 . . . . . 45 PRO HD2 . 15230 1 413 . 1 1 46 46 PRO HD3 H 1 3.427 0.002 . 2 . . . . . 45 PRO HD3 . 15230 1 414 . 1 1 46 46 PRO HG2 H 1 1.753 0.003 . 2 . . . . . 45 PRO HG2 . 15230 1 415 . 1 1 46 46 PRO HG3 H 1 1.905 0.004 . 2 . . . . . 45 PRO HG3 . 15230 1 416 . 1 1 46 46 PRO CA C 13 63.397 0.017 . 1 . . . . . 45 PRO CA . 15230 1 417 . 1 1 46 46 PRO CB C 13 32.304 0.007 . 1 . . . . . 45 PRO CB . 15230 1 418 . 1 1 46 46 PRO CD C 13 50.709 0.005 . 1 . . . . . 45 PRO CD . 15230 1 419 . 1 1 46 46 PRO CG C 13 27.139 0.028 . 1 . . . . . 45 PRO CG . 15230 1 420 . 1 1 47 47 THR H H 1 8.221 0.021 . 1 . . . . . 46 THR H . 15230 1 421 . 1 1 47 47 THR HA H 1 4.379 0.001 . 1 . . . . . 46 THR HA . 15230 1 422 . 1 1 47 47 THR HB H 1 4.185 0.001 . 1 . . . . . 46 THR HB . 15230 1 423 . 1 1 47 47 THR HG21 H 1 0.982 0.002 . 1 . . . . . 46 THR HG21 . 15230 1 424 . 1 1 47 47 THR HG22 H 1 0.982 0.002 . 1 . . . . . 46 THR HG22 . 15230 1 425 . 1 1 47 47 THR HG23 H 1 0.982 0.002 . 1 . . . . . 46 THR HG23 . 15230 1 426 . 1 1 47 47 THR CA C 13 61.054 0.009 . 1 . . . . . 46 THR CA . 15230 1 427 . 1 1 47 47 THR CB C 13 71.768 0.006 . 1 . . . . . 46 THR CB . 15230 1 428 . 1 1 47 47 THR CG2 C 13 21.717 0.006 . 1 . . . . . 46 THR CG2 . 15230 1 429 . 1 1 47 47 THR N N 15 120.488 0.044 . 1 . . . . . 46 THR N . 15230 1 430 . 1 1 49 49 ALA HA H 1 4.447 0.001 . 1 . . . . . 48 ALA HA . 15230 1 431 . 1 1 49 49 ALA HB1 H 1 1.175 0.002 . 1 . . . . . 48 ALA HB1 . 15230 1 432 . 1 1 49 49 ALA HB2 H 1 1.175 0.002 . 1 . . . . . 48 ALA HB2 . 15230 1 433 . 1 1 49 49 ALA HB3 H 1 1.175 0.002 . 1 . . . . . 48 ALA HB3 . 15230 1 434 . 1 1 49 49 ALA C C 13 176.018 0.000 . 1 . . . . . 48 ALA C . 15230 1 435 . 1 1 49 49 ALA CA C 13 52.555 0.013 . 1 . . . . . 48 ALA CA . 15230 1 436 . 1 1 49 49 ALA CB C 13 19.905 0.005 . 1 . . . . . 48 ALA CB . 15230 1 437 . 1 1 50 50 ASP H H 1 8.198 0.017 . 1 . . . . . 49 ASP H . 15230 1 438 . 1 1 50 50 ASP CA C 13 53.621 0.000 . 1 . . . . . 49 ASP CA . 15230 1 439 . 1 1 50 50 ASP N N 15 120.180 0.022 . 1 . . . . . 49 ASP N . 15230 1 440 . 1 1 51 51 SER H H 1 7.908 0.012 . 1 . . . . . 50 SER H . 15230 1 441 . 1 1 51 51 SER HA H 1 5.236 0.005 . 1 . . . . . 50 SER HA . 15230 1 442 . 1 1 51 51 SER HB2 H 1 3.591 0.003 . 1 . . . . . 50 SER HB2 . 15230 1 443 . 1 1 51 51 SER HB3 H 1 3.591 0.003 . 1 . . . . . 50 SER HB3 . 15230 1 444 . 1 1 51 51 SER C C 13 173.332 0.000 . 1 . . . . . 50 SER C . 15230 1 445 . 1 1 51 51 SER CA C 13 57.197 0.022 . 1 . . . . . 50 SER CA . 15230 1 446 . 1 1 51 51 SER CB C 13 65.096 0.017 . 1 . . . . . 50 SER CB . 15230 1 447 . 1 1 51 51 SER N N 15 113.725 0.016 . 1 . . . . . 50 SER N . 15230 1 448 . 1 1 52 52 TYR H H 1 8.902 0.014 . 1 . . . . . 51 TYR H . 15230 1 449 . 1 1 52 52 TYR HA H 1 4.576 0.003 . 1 . . . . . 51 TYR HA . 15230 1 450 . 1 1 52 52 TYR HB2 H 1 2.643 0.003 . 2 . . . . . 51 TYR HB2 . 15230 1 451 . 1 1 52 52 TYR HB3 H 1 3.051 0.002 . 2 . . . . . 51 TYR HB3 . 15230 1 452 . 1 1 52 52 TYR HD1 H 1 7.061 0.007 . 3 . . . . . 51 TYR HD1 . 15230 1 453 . 1 1 52 52 TYR HD2 H 1 7.061 0.007 . 3 . . . . . 51 TYR HD2 . 15230 1 454 . 1 1 52 52 TYR HE1 H 1 6.815 0.012 . 3 . . . . . 51 TYR HE1 . 15230 1 455 . 1 1 52 52 TYR HE2 H 1 6.815 0.012 . 3 . . . . . 51 TYR HE2 . 15230 1 456 . 1 1 52 52 TYR C C 13 173.933 0.000 . 1 . . . . . 51 TYR C . 15230 1 457 . 1 1 52 52 TYR CA C 13 57.215 0.030 . 1 . . . . . 51 TYR CA . 15230 1 458 . 1 1 52 52 TYR CB C 13 42.141 0.032 . 1 . . . . . 51 TYR CB . 15230 1 459 . 1 1 52 52 TYR CD1 C 13 133.323 0.050 . 3 . . . . . 51 TYR CD1 . 15230 1 460 . 1 1 52 52 TYR CD2 C 13 133.323 0.050 . 3 . . . . . 51 TYR CD2 . 15230 1 461 . 1 1 52 52 TYR CE1 C 13 117.894 0.044 . 3 . . . . . 51 TYR CE1 . 15230 1 462 . 1 1 52 52 TYR CE2 C 13 117.894 0.044 . 3 . . . . . 51 TYR CE2 . 15230 1 463 . 1 1 52 52 TYR N N 15 122.352 0.038 . 1 . . . . . 51 TYR N . 15230 1 464 . 1 1 53 53 ARG H H 1 8.479 0.011 . 1 . . . . . 52 ARG H . 15230 1 465 . 1 1 53 53 ARG HA H 1 5.724 0.003 . 1 . . . . . 52 ARG HA . 15230 1 466 . 1 1 53 53 ARG HB2 H 1 1.611 0.003 . 2 . . . . . 52 ARG HB2 . 15230 1 467 . 1 1 53 53 ARG HB3 H 1 1.753 0.004 . 2 . . . . . 52 ARG HB3 . 15230 1 468 . 1 1 53 53 ARG HD2 H 1 2.918 0.004 . 2 . . . . . 52 ARG HD2 . 15230 1 469 . 1 1 53 53 ARG HD3 H 1 2.978 0.003 . 2 . . . . . 52 ARG HD3 . 15230 1 470 . 1 1 53 53 ARG HG2 H 1 1.409 0.005 . 2 . . . . . 52 ARG HG2 . 15230 1 471 . 1 1 53 53 ARG HG3 H 1 1.472 0.004 . 2 . . . . . 52 ARG HG3 . 15230 1 472 . 1 1 53 53 ARG C C 13 175.108 0.000 . 1 . . . . . 52 ARG C . 15230 1 473 . 1 1 53 53 ARG CA C 13 54.487 0.056 . 1 . . . . . 52 ARG CA . 15230 1 474 . 1 1 53 53 ARG CB C 13 33.931 0.028 . 1 . . . . . 52 ARG CB . 15230 1 475 . 1 1 53 53 ARG CD C 13 42.960 0.012 . 1 . . . . . 52 ARG CD . 15230 1 476 . 1 1 53 53 ARG CG C 13 26.915 0.030 . 1 . . . . . 52 ARG CG . 15230 1 477 . 1 1 53 53 ARG N N 15 121.154 0.047 . 1 . . . . . 52 ARG N . 15230 1 478 . 1 1 54 54 LYS H H 1 8.634 0.012 . 1 . . . . . 53 LYS H . 15230 1 479 . 1 1 54 54 LYS HA H 1 4.555 0.004 . 1 . . . . . 53 LYS HA . 15230 1 480 . 1 1 54 54 LYS HB2 H 1 1.598 0.004 . 2 . . . . . 53 LYS HB2 . 15230 1 481 . 1 1 54 54 LYS HB3 H 1 1.676 0.004 . 2 . . . . . 53 LYS HB3 . 15230 1 482 . 1 1 54 54 LYS HD2 H 1 1.027 0.004 . 2 . . . . . 53 LYS HD2 . 15230 1 483 . 1 1 54 54 LYS HD3 H 1 1.322 0.002 . 2 . . . . . 53 LYS HD3 . 15230 1 484 . 1 1 54 54 LYS HE2 H 1 2.445 0.002 . 2 . . . . . 53 LYS HE2 . 15230 1 485 . 1 1 54 54 LYS HE3 H 1 2.618 0.002 . 2 . . . . . 53 LYS HE3 . 15230 1 486 . 1 1 54 54 LYS HG2 H 1 1.181 0.002 . 2 . . . . . 53 LYS HG2 . 15230 1 487 . 1 1 54 54 LYS HG3 H 1 1.181 0.002 . 2 . . . . . 53 LYS HG3 . 15230 1 488 . 1 1 54 54 LYS C C 13 173.880 0.000 . 1 . . . . . 53 LYS C . 15230 1 489 . 1 1 54 54 LYS CA C 13 55.331 0.013 . 1 . . . . . 53 LYS CA . 15230 1 490 . 1 1 54 54 LYS CB C 13 37.818 0.019 . 1 . . . . . 53 LYS CB . 15230 1 491 . 1 1 54 54 LYS CD C 13 30.343 0.023 . 1 . . . . . 53 LYS CD . 15230 1 492 . 1 1 54 54 LYS CE C 13 42.049 0.029 . 1 . . . . . 53 LYS CE . 15230 1 493 . 1 1 54 54 LYS CG C 13 24.531 0.015 . 1 . . . . . 53 LYS CG . 15230 1 494 . 1 1 54 54 LYS N N 15 124.264 0.033 . 1 . . . . . 53 LYS N . 15230 1 495 . 1 1 55 55 LYS H H 1 8.398 0.013 . 1 . . . . . 54 LYS H . 15230 1 496 . 1 1 55 55 LYS HA H 1 4.981 0.003 . 1 . . . . . 54 LYS HA . 15230 1 497 . 1 1 55 55 LYS HB2 H 1 1.610 0.010 . 2 . . . . . 54 LYS HB2 . 15230 1 498 . 1 1 55 55 LYS HB3 H 1 1.684 0.012 . 2 . . . . . 54 LYS HB3 . 15230 1 499 . 1 1 55 55 LYS HD2 H 1 1.537 0.004 . 2 . . . . . 54 LYS HD2 . 15230 1 500 . 1 1 55 55 LYS HD3 H 1 1.537 0.004 . 2 . . . . . 54 LYS HD3 . 15230 1 501 . 1 1 55 55 LYS HE2 H 1 2.785 0.003 . 1 . . . . . 54 LYS HE2 . 15230 1 502 . 1 1 55 55 LYS HE3 H 1 2.785 0.003 . 1 . . . . . 54 LYS HE3 . 15230 1 503 . 1 1 55 55 LYS HG2 H 1 1.169 0.004 . 2 . . . . . 54 LYS HG2 . 15230 1 504 . 1 1 55 55 LYS HG3 H 1 1.372 0.002 . 2 . . . . . 54 LYS HG3 . 15230 1 505 . 1 1 55 55 LYS C C 13 176.019 0.000 . 1 . . . . . 54 LYS C . 15230 1 506 . 1 1 55 55 LYS CA C 13 55.948 0.015 . 1 . . . . . 54 LYS CA . 15230 1 507 . 1 1 55 55 LYS CB C 13 33.043 0.015 . 1 . . . . . 54 LYS CB . 15230 1 508 . 1 1 55 55 LYS CD C 13 29.350 0.042 . 1 . . . . . 54 LYS CD . 15230 1 509 . 1 1 55 55 LYS CE C 13 41.452 0.018 . 1 . . . . . 54 LYS CE . 15230 1 510 . 1 1 55 55 LYS CG C 13 25.197 0.029 . 1 . . . . . 54 LYS CG . 15230 1 511 . 1 1 55 55 LYS N N 15 124.089 0.059 . 1 . . . . . 54 LYS N . 15230 1 512 . 1 1 56 56 VAL H H 1 8.995 0.014 . 1 . . . . . 55 VAL H . 15230 1 513 . 1 1 56 56 VAL HA H 1 4.608 0.003 . 1 . . . . . 55 VAL HA . 15230 1 514 . 1 1 56 56 VAL HB H 1 2.123 0.003 . 1 . . . . . 55 VAL HB . 15230 1 515 . 1 1 56 56 VAL HG11 H 1 0.582 0.002 . 2 . . . . . 55 VAL HG11 . 15230 1 516 . 1 1 56 56 VAL HG12 H 1 0.582 0.002 . 2 . . . . . 55 VAL HG12 . 15230 1 517 . 1 1 56 56 VAL HG13 H 1 0.582 0.002 . 2 . . . . . 55 VAL HG13 . 15230 1 518 . 1 1 56 56 VAL HG21 H 1 0.757 0.002 . 2 . . . . . 55 VAL HG21 . 15230 1 519 . 1 1 56 56 VAL HG22 H 1 0.757 0.002 . 2 . . . . . 55 VAL HG22 . 15230 1 520 . 1 1 56 56 VAL HG23 H 1 0.757 0.002 . 2 . . . . . 55 VAL HG23 . 15230 1 521 . 1 1 56 56 VAL C C 13 173.330 0.000 . 1 . . . . . 55 VAL C . 15230 1 522 . 1 1 56 56 VAL CA C 13 59.046 0.046 . 1 . . . . . 55 VAL CA . 15230 1 523 . 1 1 56 56 VAL CB C 13 36.146 0.030 . 1 . . . . . 55 VAL CB . 15230 1 524 . 1 1 56 56 VAL CG1 C 13 19.609 0.020 . 2 . . . . . 55 VAL CG1 . 15230 1 525 . 1 1 56 56 VAL CG2 C 13 22.328 0.034 . 2 . . . . . 55 VAL CG2 . 15230 1 526 . 1 1 56 56 VAL N N 15 118.955 0.048 . 1 . . . . . 55 VAL N . 15230 1 527 . 1 1 57 57 VAL H H 1 8.312 0.011 . 1 . . . . . 56 VAL H . 15230 1 528 . 1 1 57 57 VAL HA H 1 4.385 0.002 . 1 . . . . . 56 VAL HA . 15230 1 529 . 1 1 57 57 VAL HB H 1 1.845 0.008 . 1 . . . . . 56 VAL HB . 15230 1 530 . 1 1 57 57 VAL HG11 H 1 0.621 0.004 . 2 . . . . . 56 VAL HG11 . 15230 1 531 . 1 1 57 57 VAL HG12 H 1 0.621 0.004 . 2 . . . . . 56 VAL HG12 . 15230 1 532 . 1 1 57 57 VAL HG13 H 1 0.621 0.004 . 2 . . . . . 56 VAL HG13 . 15230 1 533 . 1 1 57 57 VAL HG21 H 1 0.795 0.001 . 2 . . . . . 56 VAL HG21 . 15230 1 534 . 1 1 57 57 VAL HG22 H 1 0.795 0.001 . 2 . . . . . 56 VAL HG22 . 15230 1 535 . 1 1 57 57 VAL HG23 H 1 0.795 0.001 . 2 . . . . . 56 VAL HG23 . 15230 1 536 . 1 1 57 57 VAL C C 13 174.660 0.000 . 1 . . . . . 56 VAL C . 15230 1 537 . 1 1 57 57 VAL CA C 13 62.145 0.056 . 1 . . . . . 56 VAL CA . 15230 1 538 . 1 1 57 57 VAL CB C 13 31.499 0.023 . 1 . . . . . 56 VAL CB . 15230 1 539 . 1 1 57 57 VAL CG1 C 13 21.239 0.016 . 2 . . . . . 56 VAL CG1 . 15230 1 540 . 1 1 57 57 VAL CG2 C 13 21.240 0.013 . 2 . . . . . 56 VAL CG2 . 15230 1 541 . 1 1 57 57 VAL N N 15 121.116 0.032 . 1 . . . . . 56 VAL N . 15230 1 542 . 1 1 58 58 LEU H H 1 9.109 0.019 . 1 . . . . . 57 LEU H . 15230 1 543 . 1 1 58 58 LEU HA H 1 4.552 0.003 . 1 . . . . . 57 LEU HA . 15230 1 544 . 1 1 58 58 LEU HB2 H 1 0.804 0.003 . 2 . . . . . 57 LEU HB2 . 15230 1 545 . 1 1 58 58 LEU HB3 H 1 1.935 0.006 . 2 . . . . . 57 LEU HB3 . 15230 1 546 . 1 1 58 58 LEU HD11 H 1 0.801 0.005 . 2 . . . . . 57 LEU HD11 . 15230 1 547 . 1 1 58 58 LEU HD12 H 1 0.801 0.005 . 2 . . . . . 57 LEU HD12 . 15230 1 548 . 1 1 58 58 LEU HD13 H 1 0.801 0.005 . 2 . . . . . 57 LEU HD13 . 15230 1 549 . 1 1 58 58 LEU HD21 H 1 0.801 0.006 . 2 . . . . . 57 LEU HD21 . 15230 1 550 . 1 1 58 58 LEU HD22 H 1 0.801 0.006 . 2 . . . . . 57 LEU HD22 . 15230 1 551 . 1 1 58 58 LEU HD23 H 1 0.801 0.006 . 2 . . . . . 57 LEU HD23 . 15230 1 552 . 1 1 58 58 LEU HG H 1 1.242 0.018 . 1 . . . . . 57 LEU HG . 15230 1 553 . 1 1 58 58 LEU C C 13 175.524 0.000 . 1 . . . . . 57 LEU C . 15230 1 554 . 1 1 58 58 LEU CA C 13 52.882 0.024 . 1 . . . . . 57 LEU CA . 15230 1 555 . 1 1 58 58 LEU CB C 13 44.728 0.039 . 1 . . . . . 57 LEU CB . 15230 1 556 . 1 1 58 58 LEU CD1 C 13 23.906 0.037 . 1 . . . . . 57 LEU CD1 . 15230 1 557 . 1 1 58 58 LEU CD2 C 13 23.906 0.037 . 1 . . . . . 57 LEU CD2 . 15230 1 558 . 1 1 58 58 LEU CG C 13 27.521 0.123 . 1 . . . . . 57 LEU CG . 15230 1 559 . 1 1 58 58 LEU N N 15 129.708 0.047 . 1 . . . . . 57 LEU N . 15230 1 560 . 1 1 59 59 ASP H H 1 9.603 0.012 . 1 . . . . . 58 ASP H . 15230 1 561 . 1 1 59 59 ASP HA H 1 4.194 0.002 . 1 . . . . . 58 ASP HA . 15230 1 562 . 1 1 59 59 ASP HB2 H 1 2.629 0.006 . 2 . . . . . 58 ASP HB2 . 15230 1 563 . 1 1 59 59 ASP HB3 H 1 2.757 0.004 . 2 . . . . . 58 ASP HB3 . 15230 1 564 . 1 1 59 59 ASP C C 13 176.142 0.000 . 1 . . . . . 58 ASP C . 15230 1 565 . 1 1 59 59 ASP CA C 13 55.568 0.028 . 1 . . . . . 58 ASP CA . 15230 1 566 . 1 1 59 59 ASP CB C 13 39.906 0.041 . 1 . . . . . 58 ASP CB . 15230 1 567 . 1 1 59 59 ASP N N 15 129.489 0.043 . 1 . . . . . 58 ASP N . 15230 1 568 . 1 1 60 60 GLY H H 1 7.985 0.010 . 1 . . . . . 59 GLY H . 15230 1 569 . 1 1 60 60 GLY HA2 H 1 3.385 0.002 . 2 . . . . . 59 GLY HA2 . 15230 1 570 . 1 1 60 60 GLY HA3 H 1 4.125 0.001 . 2 . . . . . 59 GLY HA3 . 15230 1 571 . 1 1 60 60 GLY C C 13 173.243 0.000 . 1 . . . . . 59 GLY C . 15230 1 572 . 1 1 60 60 GLY CA C 13 45.200 0.019 . 1 . . . . . 59 GLY CA . 15230 1 573 . 1 1 60 60 GLY N N 15 102.177 0.049 . 1 . . . . . 59 GLY N . 15230 1 574 . 1 1 61 61 GLU H H 1 7.564 0.011 . 1 . . . . . 60 GLU H . 15230 1 575 . 1 1 61 61 GLU HA H 1 4.555 0.002 . 1 . . . . . 60 GLU HA . 15230 1 576 . 1 1 61 61 GLU HB2 H 1 1.786 0.002 . 2 . . . . . 60 GLU HB2 . 15230 1 577 . 1 1 61 61 GLU HB3 H 1 1.967 0.002 . 2 . . . . . 60 GLU HB3 . 15230 1 578 . 1 1 61 61 GLU HG2 H 1 2.059 0.002 . 2 . . . . . 60 GLU HG2 . 15230 1 579 . 1 1 61 61 GLU HG3 H 1 2.181 0.002 . 2 . . . . . 60 GLU HG3 . 15230 1 580 . 1 1 61 61 GLU C C 13 174.611 0.000 . 1 . . . . . 60 GLU C . 15230 1 581 . 1 1 61 61 GLU CA C 13 54.159 0.019 . 1 . . . . . 60 GLU CA . 15230 1 582 . 1 1 61 61 GLU CB C 13 32.428 0.014 . 1 . . . . . 60 GLU CB . 15230 1 583 . 1 1 61 61 GLU CG C 13 36.016 0.019 . 1 . . . . . 60 GLU CG . 15230 1 584 . 1 1 61 61 GLU N N 15 120.531 0.059 . 1 . . . . . 60 GLU N . 15230 1 585 . 1 1 62 62 GLU H H 1 8.760 0.010 . 1 . . . . . 61 GLU H . 15230 1 586 . 1 1 62 62 GLU HA H 1 4.619 0.002 . 1 . . . . . 61 GLU HA . 15230 1 587 . 1 1 62 62 GLU HB2 H 1 1.868 0.003 . 2 . . . . . 61 GLU HB2 . 15230 1 588 . 1 1 62 62 GLU HB3 H 1 1.868 0.003 . 2 . . . . . 61 GLU HB3 . 15230 1 589 . 1 1 62 62 GLU HG2 H 1 1.944 0.007 . 2 . . . . . 61 GLU HG2 . 15230 1 590 . 1 1 62 62 GLU HG3 H 1 2.151 0.003 . 2 . . . . . 61 GLU HG3 . 15230 1 591 . 1 1 62 62 GLU C C 13 175.577 0.000 . 1 . . . . . 61 GLU C . 15230 1 592 . 1 1 62 62 GLU CA C 13 57.136 0.023 . 1 . . . . . 61 GLU CA . 15230 1 593 . 1 1 62 62 GLU CB C 13 30.272 0.020 . 1 . . . . . 61 GLU CB . 15230 1 594 . 1 1 62 62 GLU CG C 13 37.508 0.021 . 1 . . . . . 61 GLU CG . 15230 1 595 . 1 1 62 62 GLU N N 15 125.376 0.036 . 1 . . . . . 61 GLU N . 15230 1 596 . 1 1 63 63 VAL H H 1 9.065 0.014 . 1 . . . . . 62 VAL H . 15230 1 597 . 1 1 63 63 VAL HA H 1 4.633 0.006 . 1 . . . . . 62 VAL HA . 15230 1 598 . 1 1 63 63 VAL HB H 1 1.827 0.005 . 1 . . . . . 62 VAL HB . 15230 1 599 . 1 1 63 63 VAL HG11 H 1 0.685 0.004 . 2 . . . . . 62 VAL HG11 . 15230 1 600 . 1 1 63 63 VAL HG12 H 1 0.685 0.004 . 2 . . . . . 62 VAL HG12 . 15230 1 601 . 1 1 63 63 VAL HG13 H 1 0.685 0.004 . 2 . . . . . 62 VAL HG13 . 15230 1 602 . 1 1 63 63 VAL HG21 H 1 0.867 0.006 . 2 . . . . . 62 VAL HG21 . 15230 1 603 . 1 1 63 63 VAL HG22 H 1 0.867 0.006 . 2 . . . . . 62 VAL HG22 . 15230 1 604 . 1 1 63 63 VAL HG23 H 1 0.867 0.006 . 2 . . . . . 62 VAL HG23 . 15230 1 605 . 1 1 63 63 VAL C C 13 173.441 0.000 . 1 . . . . . 62 VAL C . 15230 1 606 . 1 1 63 63 VAL CA C 13 59.272 0.027 . 1 . . . . . 62 VAL CA . 15230 1 607 . 1 1 63 63 VAL CB C 13 35.855 0.021 . 1 . . . . . 62 VAL CB . 15230 1 608 . 1 1 63 63 VAL CG1 C 13 20.441 0.015 . 2 . . . . . 62 VAL CG1 . 15230 1 609 . 1 1 63 63 VAL CG2 C 13 22.056 0.042 . 2 . . . . . 62 VAL CG2 . 15230 1 610 . 1 1 63 63 VAL N N 15 121.404 0.063 . 1 . . . . . 62 VAL N . 15230 1 611 . 1 1 64 64 GLN H H 1 8.232 0.016 . 1 . . . . . 63 GLN H . 15230 1 612 . 1 1 64 64 GLN HA H 1 5.254 0.003 . 1 . . . . . 63 GLN HA . 15230 1 613 . 1 1 64 64 GLN HB2 H 1 1.730 0.006 . 2 . . . . . 63 GLN HB2 . 15230 1 614 . 1 1 64 64 GLN HB3 H 1 1.837 0.003 . 2 . . . . . 63 GLN HB3 . 15230 1 615 . 1 1 64 64 GLN HE21 H 1 6.800 0.018 . 1 . . . . . 63 GLN HE21 . 15230 1 616 . 1 1 64 64 GLN HE22 H 1 7.396 0.024 . 1 . . . . . 63 GLN HE22 . 15230 1 617 . 1 1 64 64 GLN HG2 H 1 1.886 0.005 . 2 . . . . . 63 GLN HG2 . 15230 1 618 . 1 1 64 64 GLN HG3 H 1 2.252 0.004 . 2 . . . . . 63 GLN HG3 . 15230 1 619 . 1 1 64 64 GLN C C 13 173.768 0.000 . 1 . . . . . 63 GLN C . 15230 1 620 . 1 1 64 64 GLN CA C 13 54.428 0.025 . 1 . . . . . 63 GLN CA . 15230 1 621 . 1 1 64 64 GLN CB C 13 33.292 0.021 . 1 . . . . . 63 GLN CB . 15230 1 622 . 1 1 64 64 GLN CD C 13 179.718 0.042 . 1 . . . . . 63 GLN CD . 15230 1 623 . 1 1 64 64 GLN CG C 13 35.409 0.034 . 1 . . . . . 63 GLN CG . 15230 1 624 . 1 1 64 64 GLN N N 15 117.531 0.072 . 1 . . . . . 63 GLN N . 15230 1 625 . 1 1 64 64 GLN NE2 N 15 110.932 0.088 . 1 . . . . . 63 GLN NE2 . 15230 1 626 . 1 1 65 65 ILE H H 1 8.936 0.011 . 1 . . . . . 64 ILE H . 15230 1 627 . 1 1 65 65 ILE HA H 1 5.108 0.006 . 1 . . . . . 64 ILE HA . 15230 1 628 . 1 1 65 65 ILE HB H 1 1.993 0.005 . 1 . . . . . 64 ILE HB . 15230 1 629 . 1 1 65 65 ILE HD11 H 1 0.724 0.002 . 1 . . . . . 64 ILE HD11 . 15230 1 630 . 1 1 65 65 ILE HD12 H 1 0.724 0.002 . 1 . . . . . 64 ILE HD12 . 15230 1 631 . 1 1 65 65 ILE HD13 H 1 0.724 0.002 . 1 . . . . . 64 ILE HD13 . 15230 1 632 . 1 1 65 65 ILE HG12 H 1 1.007 0.003 . 2 . . . . . 64 ILE HG12 . 15230 1 633 . 1 1 65 65 ILE HG13 H 1 1.560 0.002 . 2 . . . . . 64 ILE HG13 . 15230 1 634 . 1 1 65 65 ILE HG21 H 1 0.974 0.003 . 1 . . . . . 64 ILE HG21 . 15230 1 635 . 1 1 65 65 ILE HG22 H 1 0.974 0.003 . 1 . . . . . 64 ILE HG22 . 15230 1 636 . 1 1 65 65 ILE HG23 H 1 0.974 0.003 . 1 . . . . . 64 ILE HG23 . 15230 1 637 . 1 1 65 65 ILE C C 13 171.756 0.000 . 1 . . . . . 64 ILE C . 15230 1 638 . 1 1 65 65 ILE CA C 13 57.797 0.045 . 1 . . . . . 64 ILE CA . 15230 1 639 . 1 1 65 65 ILE CB C 13 40.592 0.030 . 1 . . . . . 64 ILE CB . 15230 1 640 . 1 1 65 65 ILE CD1 C 13 13.951 0.052 . 1 . . . . . 64 ILE CD1 . 15230 1 641 . 1 1 65 65 ILE CG1 C 13 29.223 0.030 . 1 . . . . . 64 ILE CG1 . 15230 1 642 . 1 1 65 65 ILE CG2 C 13 15.529 0.016 . 1 . . . . . 64 ILE CG2 . 15230 1 643 . 1 1 65 65 ILE N N 15 121.694 0.059 . 1 . . . . . 64 ILE N . 15230 1 644 . 1 1 66 66 ASP H H 1 8.581 0.013 . 1 . . . . . 65 ASP H . 15230 1 645 . 1 1 66 66 ASP HA H 1 5.558 0.003 . 1 . . . . . 65 ASP HA . 15230 1 646 . 1 1 66 66 ASP HB2 H 1 2.079 0.004 . 2 . . . . . 65 ASP HB2 . 15230 1 647 . 1 1 66 66 ASP HB3 H 1 2.592 0.004 . 2 . . . . . 65 ASP HB3 . 15230 1 648 . 1 1 66 66 ASP C C 13 174.454 0.000 . 1 . . . . . 65 ASP C . 15230 1 649 . 1 1 66 66 ASP CA C 13 52.198 0.026 . 1 . . . . . 65 ASP CA . 15230 1 650 . 1 1 66 66 ASP CB C 13 45.346 0.022 . 1 . . . . . 65 ASP CB . 15230 1 651 . 1 1 66 66 ASP N N 15 128.808 0.051 . 1 . . . . . 65 ASP N . 15230 1 652 . 1 1 67 67 ILE H H 1 9.517 0.009 . 1 . . . . . 66 ILE H . 15230 1 653 . 1 1 67 67 ILE HA H 1 4.681 0.020 . 1 . . . . . 66 ILE HA . 15230 1 654 . 1 1 67 67 ILE HB H 1 1.607 0.004 . 1 . . . . . 66 ILE HB . 15230 1 655 . 1 1 67 67 ILE HD11 H 1 0.478 0.004 . 1 . . . . . 66 ILE HD11 . 15230 1 656 . 1 1 67 67 ILE HD12 H 1 0.478 0.004 . 1 . . . . . 66 ILE HD12 . 15230 1 657 . 1 1 67 67 ILE HD13 H 1 0.478 0.004 . 1 . . . . . 66 ILE HD13 . 15230 1 658 . 1 1 67 67 ILE HG21 H 1 0.829 0.007 . 1 . . . . . 66 ILE HG21 . 15230 1 659 . 1 1 67 67 ILE HG22 H 1 0.829 0.007 . 1 . . . . . 66 ILE HG22 . 15230 1 660 . 1 1 67 67 ILE HG23 H 1 0.829 0.007 . 1 . . . . . 66 ILE HG23 . 15230 1 661 . 1 1 67 67 ILE C C 13 174.821 0.000 . 1 . . . . . 66 ILE C . 15230 1 662 . 1 1 67 67 ILE CA C 13 60.217 0.047 . 1 . . . . . 66 ILE CA . 15230 1 663 . 1 1 67 67 ILE CB C 13 41.773 0.018 . 1 . . . . . 66 ILE CB . 15230 1 664 . 1 1 67 67 ILE CD1 C 13 15.751 0.037 . 1 . . . . . 66 ILE CD1 . 15230 1 665 . 1 1 67 67 ILE CG2 C 13 18.899 0.069 . 1 . . . . . 66 ILE CG2 . 15230 1 666 . 1 1 67 67 ILE N N 15 124.703 0.059 . 1 . . . . . 66 ILE N . 15230 1 667 . 1 1 68 68 LEU H H 1 8.720 0.016 . 1 . . . . . 67 LEU H . 15230 1 668 . 1 1 68 68 LEU HA H 1 4.786 0.004 . 1 . . . . . 67 LEU HA . 15230 1 669 . 1 1 68 68 LEU HB2 H 1 1.408 0.002 . 2 . . . . . 67 LEU HB2 . 15230 1 670 . 1 1 68 68 LEU HB3 H 1 1.856 0.002 . 2 . . . . . 67 LEU HB3 . 15230 1 671 . 1 1 68 68 LEU HD11 H 1 0.484 0.003 . 2 . . . . . 67 LEU HD11 . 15230 1 672 . 1 1 68 68 LEU HD12 H 1 0.484 0.003 . 2 . . . . . 67 LEU HD12 . 15230 1 673 . 1 1 68 68 LEU HD13 H 1 0.484 0.003 . 2 . . . . . 67 LEU HD13 . 15230 1 674 . 1 1 68 68 LEU HD21 H 1 0.577 0.002 . 2 . . . . . 67 LEU HD21 . 15230 1 675 . 1 1 68 68 LEU HD22 H 1 0.577 0.002 . 2 . . . . . 67 LEU HD22 . 15230 1 676 . 1 1 68 68 LEU HD23 H 1 0.577 0.002 . 2 . . . . . 67 LEU HD23 . 15230 1 677 . 1 1 68 68 LEU HG H 1 1.204 0.004 . 1 . . . . . 67 LEU HG . 15230 1 678 . 1 1 68 68 LEU C C 13 174.544 0.000 . 1 . . . . . 67 LEU C . 15230 1 679 . 1 1 68 68 LEU CA C 13 54.166 0.015 . 1 . . . . . 67 LEU CA . 15230 1 680 . 1 1 68 68 LEU CB C 13 42.607 0.037 . 1 . . . . . 67 LEU CB . 15230 1 681 . 1 1 68 68 LEU CD1 C 13 25.455 0.020 . 2 . . . . . 67 LEU CD1 . 15230 1 682 . 1 1 68 68 LEU CD2 C 13 23.346 0.009 . 2 . . . . . 67 LEU CD2 . 15230 1 683 . 1 1 68 68 LEU CG C 13 27.546 0.014 . 1 . . . . . 67 LEU CG . 15230 1 684 . 1 1 68 68 LEU N N 15 129.002 0.055 . 1 . . . . . 67 LEU N . 15230 1 685 . 1 1 69 69 ASP H H 1 8.971 0.017 . 1 . . . . . 68 ASP H . 15230 1 686 . 1 1 69 69 ASP N N 15 128.375 0.008 . 1 . . . . . 68 ASP N . 15230 1 687 . 1 1 70 70 THR HA H 1 4.180 0.004 . 1 . . . . . 69 THR HA . 15230 1 688 . 1 1 70 70 THR HB H 1 4.090 0.002 . 1 . . . . . 69 THR HB . 15230 1 689 . 1 1 70 70 THR HG21 H 1 1.069 0.002 . 1 . . . . . 69 THR HG21 . 15230 1 690 . 1 1 70 70 THR HG22 H 1 1.069 0.002 . 1 . . . . . 69 THR HG22 . 15230 1 691 . 1 1 70 70 THR HG23 H 1 1.069 0.002 . 1 . . . . . 69 THR HG23 . 15230 1 692 . 1 1 70 70 THR CA C 13 62.327 0.059 . 1 . . . . . 69 THR CA . 15230 1 693 . 1 1 70 70 THR CB C 13 69.872 0.007 . 1 . . . . . 69 THR CB . 15230 1 694 . 1 1 70 70 THR CG2 C 13 21.591 0.006 . 1 . . . . . 69 THR CG2 . 15230 1 695 . 1 1 71 71 ALA HA H 1 4.565 0.002 . 1 . . . . . 70 ALA HA . 15230 1 696 . 1 1 71 71 ALA HB1 H 1 1.494 0.001 . 1 . . . . . 70 ALA HB1 . 15230 1 697 . 1 1 71 71 ALA HB2 H 1 1.494 0.001 . 1 . . . . . 70 ALA HB2 . 15230 1 698 . 1 1 71 71 ALA HB3 H 1 1.494 0.001 . 1 . . . . . 70 ALA HB3 . 15230 1 699 . 1 1 71 71 ALA CA C 13 52.245 0.019 . 1 . . . . . 70 ALA CA . 15230 1 700 . 1 1 71 71 ALA CB C 13 21.224 0.019 . 1 . . . . . 70 ALA CB . 15230 1 701 . 1 1 72 72 GLY H H 1 9.233 0.015 . 1 . . . . . 71 GLY H . 15230 1 702 . 1 1 72 72 GLY HA2 H 1 3.757 0.003 . 2 . . . . . 71 GLY HA2 . 15230 1 703 . 1 1 72 72 GLY HA3 H 1 4.194 0.003 . 2 . . . . . 71 GLY HA3 . 15230 1 704 . 1 1 72 72 GLY C C 13 175.223 0.000 . 1 . . . . . 71 GLY C . 15230 1 705 . 1 1 72 72 GLY CA C 13 46.638 0.042 . 1 . . . . . 71 GLY CA . 15230 1 706 . 1 1 72 72 GLY N N 15 110.983 0.051 . 1 . . . . . 71 GLY N . 15230 1 707 . 1 1 73 73 LEU H H 1 7.998 0.016 . 1 . . . . . 72 LEU H . 15230 1 708 . 1 1 73 73 LEU HA H 1 4.324 0.003 . 1 . . . . . 72 LEU HA . 15230 1 709 . 1 1 73 73 LEU HB2 H 1 1.529 0.003 . 2 . . . . . 72 LEU HB2 . 15230 1 710 . 1 1 73 73 LEU HB3 H 1 1.630 0.002 . 2 . . . . . 72 LEU HB3 . 15230 1 711 . 1 1 73 73 LEU HD11 H 1 0.834 0.002 . 2 . . . . . 72 LEU HD11 . 15230 1 712 . 1 1 73 73 LEU HD12 H 1 0.834 0.002 . 2 . . . . . 72 LEU HD12 . 15230 1 713 . 1 1 73 73 LEU HD13 H 1 0.834 0.002 . 2 . . . . . 72 LEU HD13 . 15230 1 714 . 1 1 73 73 LEU HD21 H 1 0.847 0.003 . 2 . . . . . 72 LEU HD21 . 15230 1 715 . 1 1 73 73 LEU HD22 H 1 0.847 0.003 . 2 . . . . . 72 LEU HD22 . 15230 1 716 . 1 1 73 73 LEU HD23 H 1 0.847 0.003 . 2 . . . . . 72 LEU HD23 . 15230 1 717 . 1 1 73 73 LEU HG H 1 1.605 0.001 . 1 . . . . . 72 LEU HG . 15230 1 718 . 1 1 73 73 LEU C C 13 177.492 0.000 . 1 . . . . . 72 LEU C . 15230 1 719 . 1 1 73 73 LEU CA C 13 55.350 0.026 . 1 . . . . . 72 LEU CA . 15230 1 720 . 1 1 73 73 LEU CB C 13 42.301 0.032 . 1 . . . . . 72 LEU CB . 15230 1 721 . 1 1 73 73 LEU CD1 C 13 23.545 0.015 . 2 . . . . . 72 LEU CD1 . 15230 1 722 . 1 1 73 73 LEU CD2 C 13 25.192 0.047 . 2 . . . . . 72 LEU CD2 . 15230 1 723 . 1 1 73 73 LEU CG C 13 27.043 0.001 . 1 . . . . . 72 LEU CG . 15230 1 724 . 1 1 73 73 LEU N N 15 120.185 0.042 . 1 . . . . . 72 LEU N . 15230 1 725 . 1 1 74 74 GLU H H 1 8.598 0.019 . 1 . . . . . 73 GLU H . 15230 1 726 . 1 1 74 74 GLU CA C 13 57.590 0.035 . 1 . . . . . 73 GLU CA . 15230 1 727 . 1 1 74 74 GLU N N 15 120.502 0.062 . 1 . . . . . 73 GLU N . 15230 1 728 . 1 1 75 75 ASP HA H 1 4.438 0.001 . 1 . . . . . 74 ASP HA . 15230 1 729 . 1 1 75 75 ASP HB2 H 1 2.304 0.001 . 2 . . . . . 74 ASP HB2 . 15230 1 730 . 1 1 75 75 ASP HB3 H 1 2.409 0.001 . 2 . . . . . 74 ASP HB3 . 15230 1 731 . 1 1 75 75 ASP C C 13 176.117 0.000 . 1 . . . . . 74 ASP C . 15230 1 732 . 1 1 75 75 ASP CA C 13 54.872 0.007 . 1 . . . . . 74 ASP CA . 15230 1 733 . 1 1 75 75 ASP CB C 13 41.064 0.006 . 1 . . . . . 74 ASP CB . 15230 1 734 . 1 1 76 76 TYR H H 1 7.933 0.011 . 1 . . . . . 75 TYR H . 15230 1 735 . 1 1 76 76 TYR HA H 1 4.562 0.001 . 1 . . . . . 75 TYR HA . 15230 1 736 . 1 1 76 76 TYR HB2 H 1 2.813 0.002 . 2 . . . . . 75 TYR HB2 . 15230 1 737 . 1 1 76 76 TYR HB3 H 1 3.071 0.003 . 2 . . . . . 75 TYR HB3 . 15230 1 738 . 1 1 76 76 TYR HD1 H 1 7.061 0.003 . 3 . . . . . 75 TYR HD1 . 15230 1 739 . 1 1 76 76 TYR HD2 H 1 7.061 0.003 . 3 . . . . . 75 TYR HD2 . 15230 1 740 . 1 1 76 76 TYR HE1 H 1 6.746 0.003 . 3 . . . . . 75 TYR HE1 . 15230 1 741 . 1 1 76 76 TYR HE2 H 1 6.746 0.003 . 3 . . . . . 75 TYR HE2 . 15230 1 742 . 1 1 76 76 TYR C C 13 175.906 0.000 . 1 . . . . . 75 TYR C . 15230 1 743 . 1 1 76 76 TYR CA C 13 57.172 0.039 . 1 . . . . . 75 TYR CA . 15230 1 744 . 1 1 76 76 TYR CB C 13 38.339 0.018 . 1 . . . . . 75 TYR CB . 15230 1 745 . 1 1 76 76 TYR CD1 C 13 132.986 0.039 . 3 . . . . . 75 TYR CD1 . 15230 1 746 . 1 1 76 76 TYR CD2 C 13 132.986 0.039 . 3 . . . . . 75 TYR CD2 . 15230 1 747 . 1 1 76 76 TYR CE1 C 13 118.208 0.039 . 3 . . . . . 75 TYR CE1 . 15230 1 748 . 1 1 76 76 TYR CE2 C 13 118.208 0.039 . 3 . . . . . 75 TYR CE2 . 15230 1 749 . 1 1 76 76 TYR N N 15 119.410 0.048 . 1 . . . . . 75 TYR N . 15230 1 750 . 1 1 77 77 ALA H H 1 8.207 0.006 . 1 . . . . . 76 ALA H . 15230 1 751 . 1 1 77 77 ALA HA H 1 3.812 0.001 . 1 . . . . . 76 ALA HA . 15230 1 752 . 1 1 77 77 ALA HB1 H 1 1.346 0.003 . 1 . . . . . 76 ALA HB1 . 15230 1 753 . 1 1 77 77 ALA HB2 H 1 1.346 0.003 . 1 . . . . . 76 ALA HB2 . 15230 1 754 . 1 1 77 77 ALA HB3 H 1 1.346 0.003 . 1 . . . . . 76 ALA HB3 . 15230 1 755 . 1 1 77 77 ALA C C 13 178.471 0.000 . 1 . . . . . 76 ALA C . 15230 1 756 . 1 1 77 77 ALA CA C 13 55.174 0.009 . 1 . . . . . 76 ALA CA . 15230 1 757 . 1 1 77 77 ALA CB C 13 18.635 0.007 . 1 . . . . . 76 ALA CB . 15230 1 758 . 1 1 77 77 ALA N N 15 124.855 0.022 . 1 . . . . . 76 ALA N . 15230 1 759 . 1 1 78 78 ALA H H 1 8.106 0.011 . 1 . . . . . 77 ALA H . 15230 1 760 . 1 1 78 78 ALA HA H 1 4.021 0.004 . 1 . . . . . 77 ALA HA . 15230 1 761 . 1 1 78 78 ALA HB1 H 1 1.321 0.004 . 1 . . . . . 77 ALA HB1 . 15230 1 762 . 1 1 78 78 ALA HB2 H 1 1.321 0.004 . 1 . . . . . 77 ALA HB2 . 15230 1 763 . 1 1 78 78 ALA HB3 H 1 1.321 0.004 . 1 . . . . . 77 ALA HB3 . 15230 1 764 . 1 1 78 78 ALA C C 13 179.643 0.000 . 1 . . . . . 77 ALA C . 15230 1 765 . 1 1 78 78 ALA CA C 13 54.501 0.052 . 1 . . . . . 77 ALA CA . 15230 1 766 . 1 1 78 78 ALA CB C 13 18.480 0.027 . 1 . . . . . 77 ALA CB . 15230 1 767 . 1 1 78 78 ALA N N 15 117.995 0.057 . 1 . . . . . 77 ALA N . 15230 1 768 . 1 1 79 79 ILE H H 1 7.225 0.012 . 1 . . . . . 78 ILE H . 15230 1 769 . 1 1 79 79 ILE HA H 1 3.732 0.003 . 1 . . . . . 78 ILE HA . 15230 1 770 . 1 1 79 79 ILE HB H 1 1.790 0.002 . 1 . . . . . 78 ILE HB . 15230 1 771 . 1 1 79 79 ILE HD11 H 1 0.736 0.002 . 1 . . . . . 78 ILE HD11 . 15230 1 772 . 1 1 79 79 ILE HD12 H 1 0.736 0.002 . 1 . . . . . 78 ILE HD12 . 15230 1 773 . 1 1 79 79 ILE HD13 H 1 0.736 0.002 . 1 . . . . . 78 ILE HD13 . 15230 1 774 . 1 1 79 79 ILE HG12 H 1 1.080 0.002 . 2 . . . . . 78 ILE HG12 . 15230 1 775 . 1 1 79 79 ILE HG13 H 1 1.385 0.002 . 2 . . . . . 78 ILE HG13 . 15230 1 776 . 1 1 79 79 ILE HG21 H 1 0.708 0.004 . 1 . . . . . 78 ILE HG21 . 15230 1 777 . 1 1 79 79 ILE HG22 H 1 0.708 0.004 . 1 . . . . . 78 ILE HG22 . 15230 1 778 . 1 1 79 79 ILE HG23 H 1 0.708 0.004 . 1 . . . . . 78 ILE HG23 . 15230 1 779 . 1 1 79 79 ILE C C 13 177.242 0.000 . 1 . . . . . 78 ILE C . 15230 1 780 . 1 1 79 79 ILE CA C 13 62.904 0.022 . 1 . . . . . 78 ILE CA . 15230 1 781 . 1 1 79 79 ILE CB C 13 37.880 0.011 . 1 . . . . . 78 ILE CB . 15230 1 782 . 1 1 79 79 ILE CD1 C 13 12.821 0.019 . 1 . . . . . 78 ILE CD1 . 15230 1 783 . 1 1 79 79 ILE CG1 C 13 28.215 0.011 . 1 . . . . . 78 ILE CG1 . 15230 1 784 . 1 1 79 79 ILE CG2 C 13 17.643 0.026 . 1 . . . . . 78 ILE CG2 . 15230 1 785 . 1 1 79 79 ILE N N 15 116.858 0.041 . 1 . . . . . 78 ILE N . 15230 1 786 . 1 1 80 80 ARG H H 1 7.694 0.022 . 1 . . . . . 79 ARG H . 15230 1 787 . 1 1 80 80 ARG HA H 1 3.442 0.003 . 1 . . . . . 79 ARG HA . 15230 1 788 . 1 1 80 80 ARG HB2 H 1 1.488 0.003 . 2 . . . . . 79 ARG HB2 . 15230 1 789 . 1 1 80 80 ARG HB3 H 1 1.488 0.003 . 2 . . . . . 79 ARG HB3 . 15230 1 790 . 1 1 80 80 ARG HD2 H 1 3.143 0.005 . 1 . . . . . 79 ARG HD2 . 15230 1 791 . 1 1 80 80 ARG HD3 H 1 3.143 0.005 . 1 . . . . . 79 ARG HD3 . 15230 1 792 . 1 1 80 80 ARG HG2 H 1 0.939 0.012 . 2 . . . . . 79 ARG HG2 . 15230 1 793 . 1 1 80 80 ARG HG3 H 1 1.367 0.017 . 2 . . . . . 79 ARG HG3 . 15230 1 794 . 1 1 80 80 ARG C C 13 176.972 0.000 . 1 . . . . . 79 ARG C . 15230 1 795 . 1 1 80 80 ARG CA C 13 58.679 0.009 . 1 . . . . . 79 ARG CA . 15230 1 796 . 1 1 80 80 ARG CB C 13 29.714 0.026 . 1 . . . . . 79 ARG CB . 15230 1 797 . 1 1 80 80 ARG CD C 13 43.637 0.022 . 1 . . . . . 79 ARG CD . 15230 1 798 . 1 1 80 80 ARG CG C 13 26.969 0.009 . 1 . . . . . 79 ARG CG . 15230 1 799 . 1 1 80 80 ARG N N 15 120.585 0.039 . 1 . . . . . 79 ARG N . 15230 1 800 . 1 1 81 81 ASP H H 1 8.114 0.010 . 1 . . . . . 80 ASP H . 15230 1 801 . 1 1 81 81 ASP HA H 1 4.096 0.005 . 1 . . . . . 80 ASP HA . 15230 1 802 . 1 1 81 81 ASP HB2 H 1 2.489 0.004 . 2 . . . . . 80 ASP HB2 . 15230 1 803 . 1 1 81 81 ASP HB3 H 1 2.559 0.005 . 2 . . . . . 80 ASP HB3 . 15230 1 804 . 1 1 81 81 ASP C C 13 177.950 0.000 . 1 . . . . . 80 ASP C . 15230 1 805 . 1 1 81 81 ASP CA C 13 57.463 0.049 . 1 . . . . . 80 ASP CA . 15230 1 806 . 1 1 81 81 ASP CB C 13 39.888 0.036 . 1 . . . . . 80 ASP CB . 15230 1 807 . 1 1 81 81 ASP N N 15 117.616 0.050 . 1 . . . . . 80 ASP N . 15230 1 808 . 1 1 82 82 ASN H H 1 7.524 0.009 . 1 . . . . . 81 ASN H . 15230 1 809 . 1 1 82 82 ASN HA H 1 4.394 0.004 . 1 . . . . . 81 ASN HA . 15230 1 810 . 1 1 82 82 ASN HB2 H 1 2.660 0.008 . 2 . . . . . 81 ASN HB2 . 15230 1 811 . 1 1 82 82 ASN HB3 H 1 2.696 0.003 . 2 . . . . . 81 ASN HB3 . 15230 1 812 . 1 1 82 82 ASN HD21 H 1 6.837 0.041 . 1 . . . . . 81 ASN HD21 . 15230 1 813 . 1 1 82 82 ASN HD22 H 1 7.428 0.018 . 1 . . . . . 81 ASN HD22 . 15230 1 814 . 1 1 82 82 ASN C C 13 178.237 0.000 . 1 . . . . . 81 ASN C . 15230 1 815 . 1 1 82 82 ASN CA C 13 55.952 0.029 . 1 . . . . . 81 ASN CA . 15230 1 816 . 1 1 82 82 ASN CB C 13 38.177 0.022 . 1 . . . . . 81 ASN CB . 15230 1 817 . 1 1 82 82 ASN CG C 13 176.117 0.009 . 1 . . . . . 81 ASN CG . 15230 1 818 . 1 1 82 82 ASN N N 15 116.048 0.031 . 1 . . . . . 81 ASN N . 15230 1 819 . 1 1 82 82 ASN ND2 N 15 112.515 0.051 . 1 . . . . . 81 ASN ND2 . 15230 1 820 . 1 1 83 83 TYR H H 1 7.780 0.011 . 1 . . . . . 82 TYR H . 15230 1 821 . 1 1 83 83 TYR HA H 1 4.544 0.002 . 1 . . . . . 82 TYR HA . 15230 1 822 . 1 1 83 83 TYR HB2 H 1 2.924 0.002 . 2 . . . . . 82 TYR HB2 . 15230 1 823 . 1 1 83 83 TYR HB3 H 1 3.107 0.002 . 2 . . . . . 82 TYR HB3 . 15230 1 824 . 1 1 83 83 TYR HD1 H 1 6.917 0.004 . 3 . . . . . 82 TYR HD1 . 15230 1 825 . 1 1 83 83 TYR HD2 H 1 6.917 0.004 . 3 . . . . . 82 TYR HD2 . 15230 1 826 . 1 1 83 83 TYR HE1 H 1 6.708 0.001 . 3 . . . . . 82 TYR HE1 . 15230 1 827 . 1 1 83 83 TYR HE2 H 1 6.708 0.001 . 3 . . . . . 82 TYR HE2 . 15230 1 828 . 1 1 83 83 TYR C C 13 179.050 0.000 . 1 . . . . . 82 TYR C . 15230 1 829 . 1 1 83 83 TYR CA C 13 58.960 0.018 . 1 . . . . . 82 TYR CA . 15230 1 830 . 1 1 83 83 TYR CB C 13 37.236 0.010 . 1 . . . . . 82 TYR CB . 15230 1 831 . 1 1 83 83 TYR CD1 C 13 132.382 0.039 . 3 . . . . . 82 TYR CD1 . 15230 1 832 . 1 1 83 83 TYR CD2 C 13 132.382 0.039 . 3 . . . . . 82 TYR CD2 . 15230 1 833 . 1 1 83 83 TYR CE1 C 13 118.177 0.022 . 3 . . . . . 82 TYR CE1 . 15230 1 834 . 1 1 83 83 TYR CE2 C 13 118.177 0.022 . 3 . . . . . 82 TYR CE2 . 15230 1 835 . 1 1 83 83 TYR N N 15 119.141 0.068 . 1 . . . . . 82 TYR N . 15230 1 836 . 1 1 84 84 PHE H H 1 8.585 0.017 . 1 . . . . . 83 PHE H . 15230 1 837 . 1 1 84 84 PHE HA H 1 4.777 0.006 . 1 . . . . . 83 PHE HA . 15230 1 838 . 1 1 84 84 PHE HB2 H 1 3.010 0.004 . 2 . . . . . 83 PHE HB2 . 15230 1 839 . 1 1 84 84 PHE HB3 H 1 3.447 0.002 . 2 . . . . . 83 PHE HB3 . 15230 1 840 . 1 1 84 84 PHE HD1 H 1 6.998 0.003 . 3 . . . . . 83 PHE HD1 . 15230 1 841 . 1 1 84 84 PHE HD2 H 1 6.998 0.003 . 3 . . . . . 83 PHE HD2 . 15230 1 842 . 1 1 84 84 PHE HE1 H 1 7.288 0.002 . 3 . . . . . 83 PHE HE1 . 15230 1 843 . 1 1 84 84 PHE HE2 H 1 7.288 0.002 . 3 . . . . . 83 PHE HE2 . 15230 1 844 . 1 1 84 84 PHE HZ H 1 7.162 0.003 . 1 . . . . . 83 PHE HZ . 15230 1 845 . 1 1 84 84 PHE C C 13 178.083 0.000 . 1 . . . . . 83 PHE C . 15230 1 846 . 1 1 84 84 PHE CA C 13 57.871 0.053 . 1 . . . . . 83 PHE CA . 15230 1 847 . 1 1 84 84 PHE CB C 13 37.180 0.032 . 1 . . . . . 83 PHE CB . 15230 1 848 . 1 1 84 84 PHE CD1 C 13 129.574 0.017 . 3 . . . . . 83 PHE CD1 . 15230 1 849 . 1 1 84 84 PHE CD2 C 13 129.574 0.017 . 3 . . . . . 83 PHE CD2 . 15230 1 850 . 1 1 84 84 PHE CE1 C 13 131.363 0.027 . 3 . . . . . 83 PHE CE1 . 15230 1 851 . 1 1 84 84 PHE CE2 C 13 131.363 0.027 . 3 . . . . . 83 PHE CE2 . 15230 1 852 . 1 1 84 84 PHE CZ C 13 129.222 0.012 . 1 . . . . . 83 PHE CZ . 15230 1 853 . 1 1 84 84 PHE N N 15 118.388 0.035 . 1 . . . . . 83 PHE N . 15230 1 854 . 1 1 85 85 ARG H H 1 8.326 0.010 . 1 . . . . . 84 ARG H . 15230 1 855 . 1 1 85 85 ARG HA H 1 3.846 0.002 . 1 . . . . . 84 ARG HA . 15230 1 856 . 1 1 85 85 ARG HB2 H 1 1.935 0.003 . 2 . . . . . 84 ARG HB2 . 15230 1 857 . 1 1 85 85 ARG HB3 H 1 1.935 0.003 . 2 . . . . . 84 ARG HB3 . 15230 1 858 . 1 1 85 85 ARG HD2 H 1 3.209 0.001 . 2 . . . . . 84 ARG HD2 . 15230 1 859 . 1 1 85 85 ARG HD3 H 1 3.264 0.003 . 2 . . . . . 84 ARG HD3 . 15230 1 860 . 1 1 85 85 ARG HG2 H 1 1.663 0.001 . 2 . . . . . 84 ARG HG2 . 15230 1 861 . 1 1 85 85 ARG HG3 H 1 1.803 0.001 . 2 . . . . . 84 ARG HG3 . 15230 1 862 . 1 1 85 85 ARG C C 13 177.694 0.000 . 1 . . . . . 84 ARG C . 15230 1 863 . 1 1 85 85 ARG CA C 13 60.181 0.013 . 1 . . . . . 84 ARG CA . 15230 1 864 . 1 1 85 85 ARG CB C 13 30.318 0.030 . 1 . . . . . 84 ARG CB . 15230 1 865 . 1 1 85 85 ARG CD C 13 43.263 0.009 . 1 . . . . . 84 ARG CD . 15230 1 866 . 1 1 85 85 ARG CG C 13 29.030 0.015 . 1 . . . . . 84 ARG CG . 15230 1 867 . 1 1 85 85 ARG N N 15 117.861 0.044 . 1 . . . . . 84 ARG N . 15230 1 868 . 1 1 86 86 SER H H 1 7.525 0.010 . 1 . . . . . 85 SER H . 15230 1 869 . 1 1 86 86 SER HA H 1 4.367 0.005 . 1 . . . . . 85 SER HA . 15230 1 870 . 1 1 86 86 SER HB2 H 1 3.929 0.007 . 1 . . . . . 85 SER HB2 . 15230 1 871 . 1 1 86 86 SER HB3 H 1 3.929 0.007 . 1 . . . . . 85 SER HB3 . 15230 1 872 . 1 1 86 86 SER C C 13 175.159 0.000 . 1 . . . . . 85 SER C . 15230 1 873 . 1 1 86 86 SER CA C 13 59.589 0.037 . 1 . . . . . 85 SER CA . 15230 1 874 . 1 1 86 86 SER CB C 13 64.092 0.024 . 1 . . . . . 85 SER CB . 15230 1 875 . 1 1 86 86 SER N N 15 110.977 0.046 . 1 . . . . . 85 SER N . 15230 1 876 . 1 1 87 87 GLY H H 1 7.714 0.013 . 1 . . . . . 86 GLY H . 15230 1 877 . 1 1 87 87 GLY HA2 H 1 3.151 0.004 . 2 . . . . . 86 GLY HA2 . 15230 1 878 . 1 1 87 87 GLY HA3 H 1 3.576 0.004 . 2 . . . . . 86 GLY HA3 . 15230 1 879 . 1 1 87 87 GLY C C 13 172.010 0.000 . 1 . . . . . 86 GLY C . 15230 1 880 . 1 1 87 87 GLY CA C 13 45.816 0.036 . 1 . . . . . 86 GLY CA . 15230 1 881 . 1 1 87 87 GLY N N 15 107.324 0.050 . 1 . . . . . 86 GLY N . 15230 1 882 . 1 1 88 88 GLU H H 1 7.904 0.011 . 1 . . . . . 87 GLU H . 15230 1 883 . 1 1 88 88 GLU HA H 1 4.494 0.002 . 1 . . . . . 87 GLU HA . 15230 1 884 . 1 1 88 88 GLU HB2 H 1 1.945 0.003 . 1 . . . . . 87 GLU HB2 . 15230 1 885 . 1 1 88 88 GLU HB3 H 1 1.945 0.003 . 1 . . . . . 87 GLU HB3 . 15230 1 886 . 1 1 88 88 GLU HG2 H 1 2.401 0.001 . 1 . . . . . 87 GLU HG2 . 15230 1 887 . 1 1 88 88 GLU HG3 H 1 2.401 0.001 . 1 . . . . . 87 GLU HG3 . 15230 1 888 . 1 1 88 88 GLU C C 13 176.475 0.000 . 1 . . . . . 87 GLU C . 15230 1 889 . 1 1 88 88 GLU CA C 13 55.904 0.034 . 1 . . . . . 87 GLU CA . 15230 1 890 . 1 1 88 88 GLU CB C 13 30.940 0.023 . 1 . . . . . 87 GLU CB . 15230 1 891 . 1 1 88 88 GLU CG C 13 36.318 0.004 . 1 . . . . . 87 GLU CG . 15230 1 892 . 1 1 88 88 GLU N N 15 118.164 0.044 . 1 . . . . . 87 GLU N . 15230 1 893 . 1 1 89 89 GLY H H 1 7.468 0.013 . 1 . . . . . 88 GLY H . 15230 1 894 . 1 1 89 89 GLY HA2 H 1 3.120 0.006 . 2 . . . . . 88 GLY HA2 . 15230 1 895 . 1 1 89 89 GLY HA3 H 1 4.921 0.004 . 2 . . . . . 88 GLY HA3 . 15230 1 896 . 1 1 89 89 GLY C C 13 170.601 0.000 . 1 . . . . . 88 GLY C . 15230 1 897 . 1 1 89 89 GLY CA C 13 45.307 0.018 . 1 . . . . . 88 GLY CA . 15230 1 898 . 1 1 89 89 GLY N N 15 102.591 0.042 . 1 . . . . . 88 GLY N . 15230 1 899 . 1 1 90 90 PHE H H 1 8.085 0.009 . 1 . . . . . 89 PHE H . 15230 1 900 . 1 1 90 90 PHE HA H 1 5.081 0.002 . 1 . . . . . 89 PHE HA . 15230 1 901 . 1 1 90 90 PHE HB2 H 1 2.491 0.003 . 2 . . . . . 89 PHE HB2 . 15230 1 902 . 1 1 90 90 PHE HB3 H 1 2.676 0.003 . 2 . . . . . 89 PHE HB3 . 15230 1 903 . 1 1 90 90 PHE HD1 H 1 6.899 0.006 . 3 . . . . . 89 PHE HD1 . 15230 1 904 . 1 1 90 90 PHE HD2 H 1 6.899 0.006 . 3 . . . . . 89 PHE HD2 . 15230 1 905 . 1 1 90 90 PHE HE1 H 1 6.839 0.010 . 3 . . . . . 89 PHE HE1 . 15230 1 906 . 1 1 90 90 PHE HE2 H 1 6.839 0.010 . 3 . . . . . 89 PHE HE2 . 15230 1 907 . 1 1 90 90 PHE HZ H 1 7.448 0.002 . 1 . . . . . 89 PHE HZ . 15230 1 908 . 1 1 90 90 PHE C C 13 173.811 0.000 . 1 . . . . . 89 PHE C . 15230 1 909 . 1 1 90 90 PHE CA C 13 57.223 0.021 . 1 . . . . . 89 PHE CA . 15230 1 910 . 1 1 90 90 PHE CB C 13 42.461 0.037 . 1 . . . . . 89 PHE CB . 15230 1 911 . 1 1 90 90 PHE CD1 C 13 132.161 0.027 . 3 . . . . . 89 PHE CD1 . 15230 1 912 . 1 1 90 90 PHE CD2 C 13 132.161 0.027 . 3 . . . . . 89 PHE CD2 . 15230 1 913 . 1 1 90 90 PHE CE1 C 13 130.451 0.038 . 3 . . . . . 89 PHE CE1 . 15230 1 914 . 1 1 90 90 PHE CE2 C 13 130.451 0.038 . 3 . . . . . 89 PHE CE2 . 15230 1 915 . 1 1 90 90 PHE CZ C 13 129.271 0.006 . 1 . . . . . 89 PHE CZ . 15230 1 916 . 1 1 90 90 PHE N N 15 119.065 0.040 . 1 . . . . . 89 PHE N . 15230 1 917 . 1 1 91 91 LEU H H 1 8.218 0.015 . 1 . . . . . 90 LEU H . 15230 1 918 . 1 1 91 91 LEU HA H 1 4.779 0.005 . 1 . . . . . 90 LEU HA . 15230 1 919 . 1 1 91 91 LEU HB2 H 1 0.796 0.005 . 2 . . . . . 90 LEU HB2 . 15230 1 920 . 1 1 91 91 LEU HB3 H 1 1.785 0.007 . 2 . . . . . 90 LEU HB3 . 15230 1 921 . 1 1 91 91 LEU HD11 H 1 -0.181 0.004 . 2 . . . . . 90 LEU HD11 . 15230 1 922 . 1 1 91 91 LEU HD12 H 1 -0.181 0.004 . 2 . . . . . 90 LEU HD12 . 15230 1 923 . 1 1 91 91 LEU HD13 H 1 -0.181 0.004 . 2 . . . . . 90 LEU HD13 . 15230 1 924 . 1 1 91 91 LEU HD21 H 1 0.429 0.004 . 2 . . . . . 90 LEU HD21 . 15230 1 925 . 1 1 91 91 LEU HD22 H 1 0.429 0.004 . 2 . . . . . 90 LEU HD22 . 15230 1 926 . 1 1 91 91 LEU HD23 H 1 0.429 0.004 . 2 . . . . . 90 LEU HD23 . 15230 1 927 . 1 1 91 91 LEU HG H 1 1.109 0.005 . 1 . . . . . 90 LEU HG . 15230 1 928 . 1 1 91 91 LEU C C 13 173.769 0.000 . 1 . . . . . 90 LEU C . 15230 1 929 . 1 1 91 91 LEU CA C 13 53.539 0.025 . 1 . . . . . 90 LEU CA . 15230 1 930 . 1 1 91 91 LEU CB C 13 41.479 0.031 . 1 . . . . . 90 LEU CB . 15230 1 931 . 1 1 91 91 LEU CD1 C 13 25.798 0.018 . 2 . . . . . 90 LEU CD1 . 15230 1 932 . 1 1 91 91 LEU CD2 C 13 26.031 0.048 . 2 . . . . . 90 LEU CD2 . 15230 1 933 . 1 1 91 91 LEU CG C 13 25.939 0.022 . 1 . . . . . 90 LEU CG . 15230 1 934 . 1 1 91 91 LEU N N 15 122.922 0.062 . 1 . . . . . 90 LEU N . 15230 1 935 . 1 1 92 92 LEU H H 1 8.524 0.018 . 1 . . . . . 91 LEU H . 15230 1 936 . 1 1 92 92 LEU HA H 1 4.752 0.002 . 1 . . . . . 91 LEU HA . 15230 1 937 . 1 1 92 92 LEU HB2 H 1 1.406 0.004 . 2 . . . . . 91 LEU HB2 . 15230 1 938 . 1 1 92 92 LEU HB3 H 1 1.856 0.003 . 2 . . . . . 91 LEU HB3 . 15230 1 939 . 1 1 92 92 LEU HD11 H 1 0.738 0.001 . 1 . . . . . 91 LEU HD11 . 15230 1 940 . 1 1 92 92 LEU HD12 H 1 0.738 0.001 . 1 . . . . . 91 LEU HD12 . 15230 1 941 . 1 1 92 92 LEU HD13 H 1 0.738 0.001 . 1 . . . . . 91 LEU HD13 . 15230 1 942 . 1 1 92 92 LEU HD21 H 1 0.738 0.001 . 1 . . . . . 91 LEU HD21 . 15230 1 943 . 1 1 92 92 LEU HD22 H 1 0.738 0.001 . 1 . . . . . 91 LEU HD22 . 15230 1 944 . 1 1 92 92 LEU HD23 H 1 0.738 0.001 . 1 . . . . . 91 LEU HD23 . 15230 1 945 . 1 1 92 92 LEU HG H 1 1.605 0.008 . 1 . . . . . 91 LEU HG . 15230 1 946 . 1 1 92 92 LEU C C 13 173.780 0.000 . 1 . . . . . 91 LEU C . 15230 1 947 . 1 1 92 92 LEU CA C 13 53.275 0.024 . 1 . . . . . 91 LEU CA . 15230 1 948 . 1 1 92 92 LEU CB C 13 42.336 0.019 . 1 . . . . . 91 LEU CB . 15230 1 949 . 1 1 92 92 LEU CD1 C 13 25.518 0.037 . 2 . . . . . 91 LEU CD1 . 15230 1 950 . 1 1 92 92 LEU CD2 C 13 25.518 0.037 . 2 . . . . . 91 LEU CD2 . 15230 1 951 . 1 1 92 92 LEU CG C 13 27.555 0.088 . 1 . . . . . 91 LEU CG . 15230 1 952 . 1 1 92 92 LEU N N 15 126.667 0.053 . 1 . . . . . 91 LEU N . 15230 1 953 . 1 1 93 93 VAL H H 1 9.202 0.014 . 1 . . . . . 92 VAL H . 15230 1 954 . 1 1 93 93 VAL HA H 1 5.000 0.005 . 1 . . . . . 92 VAL HA . 15230 1 955 . 1 1 93 93 VAL HB H 1 1.696 0.005 . 1 . . . . . 92 VAL HB . 15230 1 956 . 1 1 93 93 VAL HG11 H 1 0.560 0.003 . 2 . . . . . 92 VAL HG11 . 15230 1 957 . 1 1 93 93 VAL HG12 H 1 0.560 0.003 . 2 . . . . . 92 VAL HG12 . 15230 1 958 . 1 1 93 93 VAL HG13 H 1 0.560 0.003 . 2 . . . . . 92 VAL HG13 . 15230 1 959 . 1 1 93 93 VAL HG21 H 1 0.696 0.003 . 2 . . . . . 92 VAL HG21 . 15230 1 960 . 1 1 93 93 VAL HG22 H 1 0.696 0.003 . 2 . . . . . 92 VAL HG22 . 15230 1 961 . 1 1 93 93 VAL HG23 H 1 0.696 0.003 . 2 . . . . . 92 VAL HG23 . 15230 1 962 . 1 1 93 93 VAL C C 13 175.298 0.000 . 1 . . . . . 92 VAL C . 15230 1 963 . 1 1 93 93 VAL CA C 13 60.820 0.059 . 1 . . . . . 92 VAL CA . 15230 1 964 . 1 1 93 93 VAL CB C 13 33.289 0.032 . 1 . . . . . 92 VAL CB . 15230 1 965 . 1 1 93 93 VAL CG1 C 13 22.563 0.054 . 2 . . . . . 92 VAL CG1 . 15230 1 966 . 1 1 93 93 VAL CG2 C 13 21.546 0.063 . 2 . . . . . 92 VAL CG2 . 15230 1 967 . 1 1 93 93 VAL N N 15 125.248 0.052 . 1 . . . . . 92 VAL N . 15230 1 968 . 1 1 94 94 PHE H H 1 9.348 0.011 . 1 . . . . . 93 PHE H . 15230 1 969 . 1 1 94 94 PHE HA H 1 4.898 0.002 . 1 . . . . . 93 PHE HA . 15230 1 970 . 1 1 94 94 PHE HB2 H 1 2.875 0.005 . 2 . . . . . 93 PHE HB2 . 15230 1 971 . 1 1 94 94 PHE HB3 H 1 3.536 0.005 . 2 . . . . . 93 PHE HB3 . 15230 1 972 . 1 1 94 94 PHE HD1 H 1 7.230 0.005 . 3 . . . . . 93 PHE HD1 . 15230 1 973 . 1 1 94 94 PHE HD2 H 1 7.230 0.005 . 3 . . . . . 93 PHE HD2 . 15230 1 974 . 1 1 94 94 PHE HE1 H 1 7.404 0.006 . 3 . . . . . 93 PHE HE1 . 15230 1 975 . 1 1 94 94 PHE HE2 H 1 7.404 0.006 . 3 . . . . . 93 PHE HE2 . 15230 1 976 . 1 1 94 94 PHE C C 13 172.061 0.000 . 1 . . . . . 93 PHE C . 15230 1 977 . 1 1 94 94 PHE CA C 13 55.308 0.033 . 1 . . . . . 93 PHE CA . 15230 1 978 . 1 1 94 94 PHE CB C 13 40.548 0.110 . 1 . . . . . 93 PHE CB . 15230 1 979 . 1 1 94 94 PHE CD1 C 13 132.691 0.039 . 3 . . . . . 93 PHE CD1 . 15230 1 980 . 1 1 94 94 PHE CD2 C 13 132.691 0.039 . 3 . . . . . 93 PHE CD2 . 15230 1 981 . 1 1 94 94 PHE CE1 C 13 132.077 0.020 . 3 . . . . . 93 PHE CE1 . 15230 1 982 . 1 1 94 94 PHE CE2 C 13 132.077 0.020 . 3 . . . . . 93 PHE CE2 . 15230 1 983 . 1 1 94 94 PHE N N 15 123.092 0.048 . 1 . . . . . 93 PHE N . 15230 1 984 . 1 1 95 95 SER H H 1 8.866 0.016 . 1 . . . . . 94 SER H . 15230 1 985 . 1 1 95 95 SER HA H 1 4.864 0.007 . 1 . . . . . 94 SER HA . 15230 1 986 . 1 1 95 95 SER HB2 H 1 3.539 0.003 . 2 . . . . . 94 SER HB2 . 15230 1 987 . 1 1 95 95 SER HB3 H 1 3.782 0.004 . 2 . . . . . 94 SER HB3 . 15230 1 988 . 1 1 95 95 SER C C 13 177.499 0.000 . 1 . . . . . 94 SER C . 15230 1 989 . 1 1 95 95 SER CA C 13 54.273 0.021 . 1 . . . . . 94 SER CA . 15230 1 990 . 1 1 95 95 SER CB C 13 64.992 0.050 . 1 . . . . . 94 SER CB . 15230 1 991 . 1 1 95 95 SER N N 15 112.058 0.061 . 1 . . . . . 94 SER N . 15230 1 992 . 1 1 96 96 ILE H H 1 8.836 0.013 . 1 . . . . . 95 ILE H . 15230 1 993 . 1 1 96 96 ILE HA H 1 4.112 0.004 . 1 . . . . . 95 ILE HA . 15230 1 994 . 1 1 96 96 ILE HB H 1 2.022 0.004 . 1 . . . . . 95 ILE HB . 15230 1 995 . 1 1 96 96 ILE HD11 H 1 0.488 0.003 . 1 . . . . . 95 ILE HD11 . 15230 1 996 . 1 1 96 96 ILE HD12 H 1 0.488 0.003 . 1 . . . . . 95 ILE HD12 . 15230 1 997 . 1 1 96 96 ILE HD13 H 1 0.488 0.003 . 1 . . . . . 95 ILE HD13 . 15230 1 998 . 1 1 96 96 ILE HG12 H 1 0.841 0.026 . 2 . . . . . 95 ILE HG12 . 15230 1 999 . 1 1 96 96 ILE HG13 H 1 1.061 0.001 . 2 . . . . . 95 ILE HG13 . 15230 1 1000 . 1 1 96 96 ILE HG21 H 1 0.784 0.006 . 1 . . . . . 95 ILE HG21 . 15230 1 1001 . 1 1 96 96 ILE HG22 H 1 0.784 0.006 . 1 . . . . . 95 ILE HG22 . 15230 1 1002 . 1 1 96 96 ILE HG23 H 1 0.784 0.006 . 1 . . . . . 95 ILE HG23 . 15230 1 1003 . 1 1 96 96 ILE C C 13 176.817 0.000 . 1 . . . . . 95 ILE C . 15230 1 1004 . 1 1 96 96 ILE CA C 13 64.484 0.088 . 1 . . . . . 95 ILE CA . 15230 1 1005 . 1 1 96 96 ILE CB C 13 38.407 0.018 . 1 . . . . . 95 ILE CB . 15230 1 1006 . 1 1 96 96 ILE CD1 C 13 15.540 0.018 . 1 . . . . . 95 ILE CD1 . 15230 1 1007 . 1 1 96 96 ILE CG1 C 13 26.535 0.060 . 1 . . . . . 95 ILE CG1 . 15230 1 1008 . 1 1 96 96 ILE CG2 C 13 18.510 0.041 . 1 . . . . . 95 ILE CG2 . 15230 1 1009 . 1 1 96 96 ILE N N 15 121.506 0.047 . 1 . . . . . 95 ILE N . 15230 1 1010 . 1 1 97 97 THR H H 1 8.217 0.010 . 1 . . . . . 96 THR H . 15230 1 1011 . 1 1 97 97 THR HA H 1 4.485 0.005 . 1 . . . . . 96 THR HA . 15230 1 1012 . 1 1 97 97 THR HB H 1 4.519 0.005 . 1 . . . . . 96 THR HB . 15230 1 1013 . 1 1 97 97 THR HG21 H 1 0.986 0.001 . 1 . . . . . 96 THR HG21 . 15230 1 1014 . 1 1 97 97 THR HG22 H 1 0.986 0.001 . 1 . . . . . 96 THR HG22 . 15230 1 1015 . 1 1 97 97 THR HG23 H 1 0.986 0.001 . 1 . . . . . 96 THR HG23 . 15230 1 1016 . 1 1 97 97 THR C C 13 173.629 0.000 . 1 . . . . . 96 THR C . 15230 1 1017 . 1 1 97 97 THR CA C 13 61.718 0.065 . 1 . . . . . 96 THR CA . 15230 1 1018 . 1 1 97 97 THR CB C 13 68.653 0.052 . 1 . . . . . 96 THR CB . 15230 1 1019 . 1 1 97 97 THR CG2 C 13 24.306 0.026 . 1 . . . . . 96 THR CG2 . 15230 1 1020 . 1 1 97 97 THR N N 15 110.936 0.054 . 1 . . . . . 96 THR N . 15230 1 1021 . 1 1 98 98 GLU H H 1 7.738 0.011 . 1 . . . . . 97 GLU H . 15230 1 1022 . 1 1 98 98 GLU HA H 1 4.916 0.003 . 1 . . . . . 97 GLU HA . 15230 1 1023 . 1 1 98 98 GLU HB2 H 1 1.799 0.007 . 2 . . . . . 97 GLU HB2 . 15230 1 1024 . 1 1 98 98 GLU HB3 H 1 2.168 0.003 . 2 . . . . . 97 GLU HB3 . 15230 1 1025 . 1 1 98 98 GLU HG2 H 1 2.179 0.003 . 2 . . . . . 97 GLU HG2 . 15230 1 1026 . 1 1 98 98 GLU HG3 H 1 2.355 0.008 . 2 . . . . . 97 GLU HG3 . 15230 1 1027 . 1 1 98 98 GLU C C 13 176.803 0.000 . 1 . . . . . 97 GLU C . 15230 1 1028 . 1 1 98 98 GLU CA C 13 54.341 0.020 . 1 . . . . . 97 GLU CA . 15230 1 1029 . 1 1 98 98 GLU CB C 13 32.256 0.048 . 1 . . . . . 97 GLU CB . 15230 1 1030 . 1 1 98 98 GLU CG C 13 36.482 0.074 . 1 . . . . . 97 GLU CG . 15230 1 1031 . 1 1 98 98 GLU N N 15 120.911 0.067 . 1 . . . . . 97 GLU N . 15230 1 1032 . 1 1 99 99 HIS H H 1 9.917 0.010 . 1 . . . . . 98 HIS H . 15230 1 1033 . 1 1 99 99 HIS HA H 1 3.986 0.003 . 1 . . . . . 98 HIS HA . 15230 1 1034 . 1 1 99 99 HIS HB2 H 1 3.183 0.013 . 2 . . . . . 98 HIS HB2 . 15230 1 1035 . 1 1 99 99 HIS HB3 H 1 3.223 0.015 . 2 . . . . . 98 HIS HB3 . 15230 1 1036 . 1 1 99 99 HIS HD2 H 1 7.220 0.002 . 1 . . . . . 98 HIS HD2 . 15230 1 1037 . 1 1 99 99 HIS HE1 H 1 7.902 0.001 . 1 . . . . . 98 HIS HE1 . 15230 1 1038 . 1 1 99 99 HIS C C 13 177.533 0.000 . 1 . . . . . 98 HIS C . 15230 1 1039 . 1 1 99 99 HIS CA C 13 62.207 0.033 . 1 . . . . . 98 HIS CA . 15230 1 1040 . 1 1 99 99 HIS CB C 13 29.717 0.055 . 1 . . . . . 98 HIS CB . 15230 1 1041 . 1 1 99 99 HIS CD2 C 13 119.309 0.032 . 1 . . . . . 98 HIS CD2 . 15230 1 1042 . 1 1 99 99 HIS CE1 C 13 137.622 0.021 . 1 . . . . . 98 HIS CE1 . 15230 1 1043 . 1 1 99 99 HIS N N 15 131.828 0.026 . 1 . . . . . 98 HIS N . 15230 1 1044 . 1 1 100 100 GLU H H 1 9.770 0.024 . 1 . . . . . 99 GLU H . 15230 1 1045 . 1 1 100 100 GLU HA H 1 4.267 0.003 . 1 . . . . . 99 GLU HA . 15230 1 1046 . 1 1 100 100 GLU HB2 H 1 2.053 0.004 . 1 . . . . . 99 GLU HB2 . 15230 1 1047 . 1 1 100 100 GLU HB3 H 1 2.053 0.004 . 1 . . . . . 99 GLU HB3 . 15230 1 1048 . 1 1 100 100 GLU HG2 H 1 2.414 0.003 . 1 . . . . . 99 GLU HG2 . 15230 1 1049 . 1 1 100 100 GLU HG3 H 1 2.414 0.003 . 1 . . . . . 99 GLU HG3 . 15230 1 1050 . 1 1 100 100 GLU C C 13 178.777 0.000 . 1 . . . . . 99 GLU C . 15230 1 1051 . 1 1 100 100 GLU CA C 13 59.848 0.036 . 1 . . . . . 99 GLU CA . 15230 1 1052 . 1 1 100 100 GLU CB C 13 29.065 0.014 . 1 . . . . . 99 GLU CB . 15230 1 1053 . 1 1 100 100 GLU CG C 13 36.924 0.015 . 1 . . . . . 99 GLU CG . 15230 1 1054 . 1 1 100 100 GLU N N 15 118.015 0.051 . 1 . . . . . 99 GLU N . 15230 1 1055 . 1 1 101 101 SER H H 1 7.650 0.010 . 1 . . . . . 100 SER H . 15230 1 1056 . 1 1 101 101 SER HA H 1 4.523 0.003 . 1 . . . . . 100 SER HA . 15230 1 1057 . 1 1 101 101 SER HB2 H 1 4.286 0.004 . 2 . . . . . 100 SER HB2 . 15230 1 1058 . 1 1 101 101 SER HB3 H 1 4.357 0.005 . 2 . . . . . 100 SER HB3 . 15230 1 1059 . 1 1 101 101 SER HG H 1 6.220 0.010 . 1 . . . . . 100 SER HG . 15230 1 1060 . 1 1 101 101 SER C C 13 176.325 0.000 . 1 . . . . . 100 SER C . 15230 1 1061 . 1 1 101 101 SER CA C 13 61.139 0.038 . 1 . . . . . 100 SER CA . 15230 1 1062 . 1 1 101 101 SER CB C 13 63.448 0.016 . 1 . . . . . 100 SER CB . 15230 1 1063 . 1 1 101 101 SER N N 15 115.255 0.044 . 1 . . . . . 100 SER N . 15230 1 1064 . 1 1 102 102 PHE H H 1 7.366 0.012 . 1 . . . . . 101 PHE H . 15230 1 1065 . 1 1 102 102 PHE HA H 1 3.878 0.003 . 1 . . . . . 101 PHE HA . 15230 1 1066 . 1 1 102 102 PHE HB2 H 1 2.407 0.003 . 2 . . . . . 101 PHE HB2 . 15230 1 1067 . 1 1 102 102 PHE HB3 H 1 2.806 0.004 . 2 . . . . . 101 PHE HB3 . 15230 1 1068 . 1 1 102 102 PHE HD1 H 1 5.683 0.005 . 3 . . . . . 101 PHE HD1 . 15230 1 1069 . 1 1 102 102 PHE HD2 H 1 5.683 0.005 . 3 . . . . . 101 PHE HD2 . 15230 1 1070 . 1 1 102 102 PHE HE1 H 1 6.726 0.005 . 3 . . . . . 101 PHE HE1 . 15230 1 1071 . 1 1 102 102 PHE HE2 H 1 6.726 0.005 . 3 . . . . . 101 PHE HE2 . 15230 1 1072 . 1 1 102 102 PHE HZ H 1 6.559 0.003 . 1 . . . . . 101 PHE HZ . 15230 1 1073 . 1 1 102 102 PHE C C 13 178.785 0.000 . 1 . . . . . 101 PHE C . 15230 1 1074 . 1 1 102 102 PHE CA C 13 59.695 0.039 . 1 . . . . . 101 PHE CA . 15230 1 1075 . 1 1 102 102 PHE CB C 13 39.183 0.024 . 1 . . . . . 101 PHE CB . 15230 1 1076 . 1 1 102 102 PHE CD1 C 13 131.573 0.021 . 3 . . . . . 101 PHE CD1 . 15230 1 1077 . 1 1 102 102 PHE CD2 C 13 131.573 0.021 . 3 . . . . . 101 PHE CD2 . 15230 1 1078 . 1 1 102 102 PHE CE1 C 13 130.117 0.038 . 3 . . . . . 101 PHE CE1 . 15230 1 1079 . 1 1 102 102 PHE CE2 C 13 130.117 0.038 . 3 . . . . . 101 PHE CE2 . 15230 1 1080 . 1 1 102 102 PHE CZ C 13 128.460 0.021 . 1 . . . . . 101 PHE CZ . 15230 1 1081 . 1 1 102 102 PHE N N 15 125.646 0.050 . 1 . . . . . 101 PHE N . 15230 1 1082 . 1 1 103 103 THR H H 1 8.347 0.014 . 1 . . . . . 102 THR H . 15230 1 1083 . 1 1 103 103 THR HA H 1 3.480 0.004 . 1 . . . . . 102 THR HA . 15230 1 1084 . 1 1 103 103 THR HB H 1 4.158 0.005 . 1 . . . . . 102 THR HB . 15230 1 1085 . 1 1 103 103 THR HG21 H 1 1.130 0.002 . 1 . . . . . 102 THR HG21 . 15230 1 1086 . 1 1 103 103 THR HG22 H 1 1.130 0.002 . 1 . . . . . 102 THR HG22 . 15230 1 1087 . 1 1 103 103 THR HG23 H 1 1.130 0.002 . 1 . . . . . 102 THR HG23 . 15230 1 1088 . 1 1 103 103 THR C C 13 177.748 0.000 . 1 . . . . . 102 THR C . 15230 1 1089 . 1 1 103 103 THR CA C 13 65.871 0.025 . 1 . . . . . 102 THR CA . 15230 1 1090 . 1 1 103 103 THR CB C 13 67.718 0.068 . 1 . . . . . 102 THR CB . 15230 1 1091 . 1 1 103 103 THR CG2 C 13 22.775 0.026 . 1 . . . . . 102 THR CG2 . 15230 1 1092 . 1 1 103 103 THR N N 15 117.859 0.047 . 1 . . . . . 102 THR N . 15230 1 1093 . 1 1 104 104 ALA H H 1 7.661 0.011 . 1 . . . . . 103 ALA H . 15230 1 1094 . 1 1 104 104 ALA HA H 1 4.044 0.006 . 1 . . . . . 103 ALA HA . 15230 1 1095 . 1 1 104 104 ALA HB1 H 1 1.511 0.003 . 1 . . . . . 103 ALA HB1 . 15230 1 1096 . 1 1 104 104 ALA HB2 H 1 1.511 0.003 . 1 . . . . . 103 ALA HB2 . 15230 1 1097 . 1 1 104 104 ALA HB3 H 1 1.511 0.003 . 1 . . . . . 103 ALA HB3 . 15230 1 1098 . 1 1 104 104 ALA C C 13 179.360 0.000 . 1 . . . . . 103 ALA C . 15230 1 1099 . 1 1 104 104 ALA CA C 13 54.808 0.034 . 1 . . . . . 103 ALA CA . 15230 1 1100 . 1 1 104 104 ALA CB C 13 18.494 0.020 . 1 . . . . . 103 ALA CB . 15230 1 1101 . 1 1 104 104 ALA N N 15 122.165 0.051 . 1 . . . . . 103 ALA N . 15230 1 1102 . 1 1 105 105 THR H H 1 7.401 0.012 . 1 . . . . . 104 THR H . 15230 1 1103 . 1 1 105 105 THR HA H 1 4.098 0.003 . 1 . . . . . 104 THR HA . 15230 1 1104 . 1 1 105 105 THR HB H 1 4.274 0.003 . 1 . . . . . 104 THR HB . 15230 1 1105 . 1 1 105 105 THR HG21 H 1 1.600 0.001 . 1 . . . . . 104 THR HG21 . 15230 1 1106 . 1 1 105 105 THR HG22 H 1 1.600 0.001 . 1 . . . . . 104 THR HG22 . 15230 1 1107 . 1 1 105 105 THR HG23 H 1 1.600 0.001 . 1 . . . . . 104 THR HG23 . 15230 1 1108 . 1 1 105 105 THR C C 13 176.152 0.000 . 1 . . . . . 104 THR C . 15230 1 1109 . 1 1 105 105 THR CA C 13 66.861 0.030 . 1 . . . . . 104 THR CA . 15230 1 1110 . 1 1 105 105 THR CB C 13 69.012 0.026 . 1 . . . . . 104 THR CB . 15230 1 1111 . 1 1 105 105 THR CG2 C 13 22.920 0.024 . 1 . . . . . 104 THR CG2 . 15230 1 1112 . 1 1 105 105 THR N N 15 108.502 0.031 . 1 . . . . . 104 THR N . 15230 1 1113 . 1 1 106 106 ALA H H 1 7.019 0.009 . 1 . . . . . 105 ALA H . 15230 1 1114 . 1 1 106 106 ALA HA H 1 4.071 0.006 . 1 . . . . . 105 ALA HA . 15230 1 1115 . 1 1 106 106 ALA HB1 H 1 1.567 0.004 . 1 . . . . . 105 ALA HB1 . 15230 1 1116 . 1 1 106 106 ALA HB2 H 1 1.567 0.004 . 1 . . . . . 105 ALA HB2 . 15230 1 1117 . 1 1 106 106 ALA HB3 H 1 1.567 0.004 . 1 . . . . . 105 ALA HB3 . 15230 1 1118 . 1 1 106 106 ALA C C 13 179.993 0.000 . 1 . . . . . 105 ALA C . 15230 1 1119 . 1 1 106 106 ALA CA C 13 55.287 0.017 . 1 . . . . . 105 ALA CA . 15230 1 1120 . 1 1 106 106 ALA CB C 13 18.541 0.029 . 1 . . . . . 105 ALA CB . 15230 1 1121 . 1 1 106 106 ALA N N 15 122.338 0.054 . 1 . . . . . 105 ALA N . 15230 1 1122 . 1 1 107 107 GLU H H 1 7.171 0.012 . 1 . . . . . 106 GLU H . 15230 1 1123 . 1 1 107 107 GLU HA H 1 4.002 0.003 . 1 . . . . . 106 GLU HA . 15230 1 1124 . 1 1 107 107 GLU HB2 H 1 1.772 0.001 . 2 . . . . . 106 GLU HB2 . 15230 1 1125 . 1 1 107 107 GLU HB3 H 1 1.874 0.002 . 2 . . . . . 106 GLU HB3 . 15230 1 1126 . 1 1 107 107 GLU HG2 H 1 2.065 0.002 . 1 . . . . . 106 GLU HG2 . 15230 1 1127 . 1 1 107 107 GLU HG3 H 1 2.065 0.002 . 1 . . . . . 106 GLU HG3 . 15230 1 1128 . 1 1 107 107 GLU C C 13 179.254 0.000 . 1 . . . . . 106 GLU C . 15230 1 1129 . 1 1 107 107 GLU CA C 13 58.369 0.019 . 1 . . . . . 106 GLU CA . 15230 1 1130 . 1 1 107 107 GLU CB C 13 28.763 0.024 . 1 . . . . . 106 GLU CB . 15230 1 1131 . 1 1 107 107 GLU CG C 13 36.008 0.026 . 1 . . . . . 106 GLU CG . 15230 1 1132 . 1 1 107 107 GLU N N 15 118.595 0.047 . 1 . . . . . 106 GLU N . 15230 1 1133 . 1 1 108 108 PHE H H 1 7.623 0.013 . 1 . . . . . 107 PHE H . 15230 1 1134 . 1 1 108 108 PHE HA H 1 4.301 0.005 . 1 . . . . . 107 PHE HA . 15230 1 1135 . 1 1 108 108 PHE HB2 H 1 2.780 0.005 . 1 . . . . . 107 PHE HB2 . 15230 1 1136 . 1 1 108 108 PHE HB3 H 1 2.780 0.005 . 1 . . . . . 107 PHE HB3 . 15230 1 1137 . 1 1 108 108 PHE HD1 H 1 7.165 0.005 . 3 . . . . . 107 PHE HD1 . 15230 1 1138 . 1 1 108 108 PHE HD2 H 1 7.165 0.005 . 3 . . . . . 107 PHE HD2 . 15230 1 1139 . 1 1 108 108 PHE HE1 H 1 7.361 0.004 . 3 . . . . . 107 PHE HE1 . 15230 1 1140 . 1 1 108 108 PHE HE2 H 1 7.361 0.004 . 3 . . . . . 107 PHE HE2 . 15230 1 1141 . 1 1 108 108 PHE HZ H 1 7.209 0.001 . 1 . . . . . 107 PHE HZ . 15230 1 1142 . 1 1 108 108 PHE C C 13 177.809 0.000 . 1 . . . . . 107 PHE C . 15230 1 1143 . 1 1 108 108 PHE CA C 13 61.005 0.065 . 1 . . . . . 107 PHE CA . 15230 1 1144 . 1 1 108 108 PHE CB C 13 39.026 0.043 . 1 . . . . . 107 PHE CB . 15230 1 1145 . 1 1 108 108 PHE CD1 C 13 131.339 0.036 . 3 . . . . . 107 PHE CD1 . 15230 1 1146 . 1 1 108 108 PHE CD2 C 13 131.339 0.036 . 3 . . . . . 107 PHE CD2 . 15230 1 1147 . 1 1 108 108 PHE CE1 C 13 131.469 0.023 . 3 . . . . . 107 PHE CE1 . 15230 1 1148 . 1 1 108 108 PHE CE2 C 13 131.469 0.023 . 3 . . . . . 107 PHE CE2 . 15230 1 1149 . 1 1 108 108 PHE CZ C 13 130.102 0.012 . 1 . . . . . 107 PHE CZ . 15230 1 1150 . 1 1 108 108 PHE N N 15 117.432 0.057 . 1 . . . . . 107 PHE N . 15230 1 1151 . 1 1 109 109 ARG H H 1 8.224 0.015 . 1 . . . . . 108 ARG H . 15230 1 1152 . 1 1 109 109 ARG HA H 1 3.306 0.003 . 1 . . . . . 108 ARG HA . 15230 1 1153 . 1 1 109 109 ARG HB2 H 1 0.545 0.002 . 2 . . . . . 108 ARG HB2 . 15230 1 1154 . 1 1 109 109 ARG HB3 H 1 0.734 0.003 . 2 . . . . . 108 ARG HB3 . 15230 1 1155 . 1 1 109 109 ARG HD2 H 1 0.870 0.002 . 2 . . . . . 108 ARG HD2 . 15230 1 1156 . 1 1 109 109 ARG HD3 H 1 1.205 0.003 . 2 . . . . . 108 ARG HD3 . 15230 1 1157 . 1 1 109 109 ARG HE H 1 6.838 0.028 . 1 . . . . . 108 ARG HE . 15230 1 1158 . 1 1 109 109 ARG HG2 H 1 0.867 0.004 . 2 . . . . . 108 ARG HG2 . 15230 1 1159 . 1 1 109 109 ARG HG3 H 1 1.193 0.003 . 2 . . . . . 108 ARG HG3 . 15230 1 1160 . 1 1 109 109 ARG HH11 H 1 6.376 0.028 . 1 . . . . . 108 ARG HH11 . 15230 1 1161 . 1 1 109 109 ARG HH12 H 1 6.376 0.028 . 1 . . . . . 108 ARG HH12 . 15230 1 1162 . 1 1 109 109 ARG HH21 H 1 6.376 0.028 . 1 . . . . . 108 ARG HH21 . 15230 1 1163 . 1 1 109 109 ARG HH22 H 1 6.376 0.028 . 1 . . . . . 108 ARG HH22 . 15230 1 1164 . 1 1 109 109 ARG C C 13 176.680 0.000 . 1 . . . . . 108 ARG C . 15230 1 1165 . 1 1 109 109 ARG CA C 13 60.164 0.031 . 1 . . . . . 108 ARG CA . 15230 1 1166 . 1 1 109 109 ARG CB C 13 28.205 0.027 . 1 . . . . . 108 ARG CB . 15230 1 1167 . 1 1 109 109 ARG CD C 13 41.631 0.019 . 1 . . . . . 108 ARG CD . 15230 1 1168 . 1 1 109 109 ARG CG C 13 28.299 0.029 . 1 . . . . . 108 ARG CG . 15230 1 1169 . 1 1 109 109 ARG N N 15 117.233 0.035 . 1 . . . . . 108 ARG N . 15230 1 1170 . 1 1 109 109 ARG NE N 15 82.997 0.062 . 1 . . . . . 108 ARG NE . 15230 1 1171 . 1 1 110 110 GLU H H 1 7.402 0.011 . 1 . . . . . 109 GLU H . 15230 1 1172 . 1 1 110 110 GLU HA H 1 3.628 0.003 . 1 . . . . . 109 GLU HA . 15230 1 1173 . 1 1 110 110 GLU HB2 H 1 1.995 0.002 . 1 . . . . . 109 GLU HB2 . 15230 1 1174 . 1 1 110 110 GLU HB3 H 1 1.995 0.002 . 1 . . . . . 109 GLU HB3 . 15230 1 1175 . 1 1 110 110 GLU HG2 H 1 2.200 0.003 . 1 . . . . . 109 GLU HG2 . 15230 1 1176 . 1 1 110 110 GLU HG3 H 1 2.200 0.003 . 1 . . . . . 109 GLU HG3 . 15230 1 1177 . 1 1 110 110 GLU C C 13 178.979 0.000 . 1 . . . . . 109 GLU C . 15230 1 1178 . 1 1 110 110 GLU CA C 13 59.571 0.025 . 1 . . . . . 109 GLU CA . 15230 1 1179 . 1 1 110 110 GLU CB C 13 29.094 0.039 . 1 . . . . . 109 GLU CB . 15230 1 1180 . 1 1 110 110 GLU CG C 13 36.014 0.018 . 1 . . . . . 109 GLU CG . 15230 1 1181 . 1 1 110 110 GLU N N 15 116.506 0.053 . 1 . . . . . 109 GLU N . 15230 1 1182 . 1 1 111 111 GLN H H 1 7.654 0.014 . 1 . . . . . 110 GLN H . 15230 1 1183 . 1 1 111 111 GLN HA H 1 3.896 0.002 . 1 . . . . . 110 GLN HA . 15230 1 1184 . 1 1 111 111 GLN HB2 H 1 2.158 0.001 . 2 . . . . . 110 GLN HB2 . 15230 1 1185 . 1 1 111 111 GLN HB3 H 1 2.342 0.002 . 2 . . . . . 110 GLN HB3 . 15230 1 1186 . 1 1 111 111 GLN HE21 H 1 6.409 0.020 . 1 . . . . . 110 GLN HE21 . 15230 1 1187 . 1 1 111 111 GLN HE22 H 1 7.495 0.021 . 1 . . . . . 110 GLN HE22 . 15230 1 1188 . 1 1 111 111 GLN HG2 H 1 2.398 0.003 . 2 . . . . . 110 GLN HG2 . 15230 1 1189 . 1 1 111 111 GLN HG3 H 1 2.522 0.003 . 2 . . . . . 110 GLN HG3 . 15230 1 1190 . 1 1 111 111 GLN C C 13 178.350 0.000 . 1 . . . . . 110 GLN C . 15230 1 1191 . 1 1 111 111 GLN CA C 13 59.001 0.026 . 1 . . . . . 110 GLN CA . 15230 1 1192 . 1 1 111 111 GLN CB C 13 28.117 0.013 . 1 . . . . . 110 GLN CB . 15230 1 1193 . 1 1 111 111 GLN CD C 13 178.933 0.008 . 1 . . . . . 110 GLN CD . 15230 1 1194 . 1 1 111 111 GLN CG C 13 33.014 0.019 . 1 . . . . . 110 GLN CG . 15230 1 1195 . 1 1 111 111 GLN N N 15 118.026 0.061 . 1 . . . . . 110 GLN N . 15230 1 1196 . 1 1 111 111 GLN NE2 N 15 109.658 0.058 . 1 . . . . . 110 GLN NE2 . 15230 1 1197 . 1 1 112 112 ILE H H 1 7.821 0.020 . 1 . . . . . 111 ILE H . 15230 1 1198 . 1 1 112 112 ILE HA H 1 2.881 0.008 . 1 . . . . . 111 ILE HA . 15230 1 1199 . 1 1 112 112 ILE HB H 1 1.188 0.008 . 1 . . . . . 111 ILE HB . 15230 1 1200 . 1 1 112 112 ILE HD11 H 1 -0.109 0.003 . 1 . . . . . 111 ILE HD11 . 15230 1 1201 . 1 1 112 112 ILE HD12 H 1 -0.109 0.003 . 1 . . . . . 111 ILE HD12 . 15230 1 1202 . 1 1 112 112 ILE HD13 H 1 -0.109 0.003 . 1 . . . . . 111 ILE HD13 . 15230 1 1203 . 1 1 112 112 ILE HG12 H 1 -0.923 0.003 . 2 . . . . . 111 ILE HG12 . 15230 1 1204 . 1 1 112 112 ILE HG13 H 1 0.897 0.004 . 2 . . . . . 111 ILE HG13 . 15230 1 1205 . 1 1 112 112 ILE HG21 H 1 -0.397 0.003 . 1 . . . . . 111 ILE HG21 . 15230 1 1206 . 1 1 112 112 ILE HG22 H 1 -0.397 0.003 . 1 . . . . . 111 ILE HG22 . 15230 1 1207 . 1 1 112 112 ILE HG23 H 1 -0.397 0.003 . 1 . . . . . 111 ILE HG23 . 15230 1 1208 . 1 1 112 112 ILE C C 13 176.959 0.000 . 1 . . . . . 111 ILE C . 15230 1 1209 . 1 1 112 112 ILE CA C 13 65.718 0.062 . 1 . . . . . 111 ILE CA . 15230 1 1210 . 1 1 112 112 ILE CB C 13 38.072 0.023 . 1 . . . . . 111 ILE CB . 15230 1 1211 . 1 1 112 112 ILE CD1 C 13 14.690 0.020 . 1 . . . . . 111 ILE CD1 . 15230 1 1212 . 1 1 112 112 ILE CG1 C 13 28.231 0.009 . 1 . . . . . 111 ILE CG1 . 15230 1 1213 . 1 1 112 112 ILE CG2 C 13 16.438 0.080 . 1 . . . . . 111 ILE CG2 . 15230 1 1214 . 1 1 112 112 ILE N N 15 120.182 0.041 . 1 . . . . . 111 ILE N . 15230 1 1215 . 1 1 113 113 LEU H H 1 7.906 0.012 . 1 . . . . . 112 LEU H . 15230 1 1216 . 1 1 113 113 LEU HA H 1 3.527 0.003 . 1 . . . . . 112 LEU HA . 15230 1 1217 . 1 1 113 113 LEU HB2 H 1 1.300 0.009 . 2 . . . . . 112 LEU HB2 . 15230 1 1218 . 1 1 113 113 LEU HB3 H 1 1.489 0.009 . 2 . . . . . 112 LEU HB3 . 15230 1 1219 . 1 1 113 113 LEU HD11 H 1 0.484 0.004 . 2 . . . . . 112 LEU HD11 . 15230 1 1220 . 1 1 113 113 LEU HD12 H 1 0.484 0.004 . 2 . . . . . 112 LEU HD12 . 15230 1 1221 . 1 1 113 113 LEU HD13 H 1 0.484 0.004 . 2 . . . . . 112 LEU HD13 . 15230 1 1222 . 1 1 113 113 LEU HD21 H 1 0.546 0.003 . 2 . . . . . 112 LEU HD21 . 15230 1 1223 . 1 1 113 113 LEU HD22 H 1 0.546 0.003 . 2 . . . . . 112 LEU HD22 . 15230 1 1224 . 1 1 113 113 LEU HD23 H 1 0.546 0.003 . 2 . . . . . 112 LEU HD23 . 15230 1 1225 . 1 1 113 113 LEU HG H 1 1.511 0.002 . 1 . . . . . 112 LEU HG . 15230 1 1226 . 1 1 113 113 LEU C C 13 179.770 0.000 . 1 . . . . . 112 LEU C . 15230 1 1227 . 1 1 113 113 LEU CA C 13 58.065 0.036 . 1 . . . . . 112 LEU CA . 15230 1 1228 . 1 1 113 113 LEU CB C 13 40.609 0.062 . 1 . . . . . 112 LEU CB . 15230 1 1229 . 1 1 113 113 LEU CD1 C 13 24.234 0.060 . 2 . . . . . 112 LEU CD1 . 15230 1 1230 . 1 1 113 113 LEU CD2 C 13 22.724 0.039 . 2 . . . . . 112 LEU CD2 . 15230 1 1231 . 1 1 113 113 LEU CG C 13 27.572 0.009 . 1 . . . . . 112 LEU CG . 15230 1 1232 . 1 1 113 113 LEU N N 15 116.898 0.051 . 1 . . . . . 112 LEU N . 15230 1 1233 . 1 1 114 114 ARG H H 1 7.622 0.012 . 1 . . . . . 113 ARG H . 15230 1 1234 . 1 1 114 114 ARG HA H 1 3.990 0.003 . 1 . . . . . 113 ARG HA . 15230 1 1235 . 1 1 114 114 ARG HB2 H 1 1.826 0.003 . 1 . . . . . 113 ARG HB2 . 15230 1 1236 . 1 1 114 114 ARG HB3 H 1 1.826 0.003 . 1 . . . . . 113 ARG HB3 . 15230 1 1237 . 1 1 114 114 ARG HD2 H 1 3.144 0.002 . 1 . . . . . 113 ARG HD2 . 15230 1 1238 . 1 1 114 114 ARG HD3 H 1 3.144 0.002 . 1 . . . . . 113 ARG HD3 . 15230 1 1239 . 1 1 114 114 ARG HG2 H 1 1.521 0.002 . 2 . . . . . 113 ARG HG2 . 15230 1 1240 . 1 1 114 114 ARG HG3 H 1 1.646 0.002 . 2 . . . . . 113 ARG HG3 . 15230 1 1241 . 1 1 114 114 ARG C C 13 179.030 0.000 . 1 . . . . . 113 ARG C . 15230 1 1242 . 1 1 114 114 ARG CA C 13 58.957 0.014 . 1 . . . . . 113 ARG CA . 15230 1 1243 . 1 1 114 114 ARG CB C 13 30.313 0.025 . 1 . . . . . 113 ARG CB . 15230 1 1244 . 1 1 114 114 ARG CD C 13 43.215 0.014 . 1 . . . . . 113 ARG CD . 15230 1 1245 . 1 1 114 114 ARG CG C 13 27.222 0.025 . 1 . . . . . 113 ARG CG . 15230 1 1246 . 1 1 114 114 ARG N N 15 117.005 0.051 . 1 . . . . . 113 ARG N . 15230 1 1247 . 1 1 115 115 VAL H H 1 7.708 0.010 . 1 . . . . . 114 VAL H . 15230 1 1248 . 1 1 115 115 VAL HA H 1 3.957 0.002 . 1 . . . . . 114 VAL HA . 15230 1 1249 . 1 1 115 115 VAL HB H 1 2.184 0.004 . 1 . . . . . 114 VAL HB . 15230 1 1250 . 1 1 115 115 VAL HG11 H 1 1.020 0.003 . 2 . . . . . 114 VAL HG11 . 15230 1 1251 . 1 1 115 115 VAL HG12 H 1 1.020 0.003 . 2 . . . . . 114 VAL HG12 . 15230 1 1252 . 1 1 115 115 VAL HG13 H 1 1.020 0.003 . 2 . . . . . 114 VAL HG13 . 15230 1 1253 . 1 1 115 115 VAL HG21 H 1 1.151 0.004 . 2 . . . . . 114 VAL HG21 . 15230 1 1254 . 1 1 115 115 VAL HG22 H 1 1.151 0.004 . 2 . . . . . 114 VAL HG22 . 15230 1 1255 . 1 1 115 115 VAL HG23 H 1 1.151 0.004 . 2 . . . . . 114 VAL HG23 . 15230 1 1256 . 1 1 115 115 VAL C C 13 177.494 0.000 . 1 . . . . . 114 VAL C . 15230 1 1257 . 1 1 115 115 VAL CA C 13 64.795 0.040 . 1 . . . . . 114 VAL CA . 15230 1 1258 . 1 1 115 115 VAL CB C 13 32.146 0.065 . 1 . . . . . 114 VAL CB . 15230 1 1259 . 1 1 115 115 VAL CG1 C 13 21.398 0.036 . 2 . . . . . 114 VAL CG1 . 15230 1 1260 . 1 1 115 115 VAL CG2 C 13 22.305 0.022 . 2 . . . . . 114 VAL CG2 . 15230 1 1261 . 1 1 115 115 VAL N N 15 116.095 0.055 . 1 . . . . . 114 VAL N . 15230 1 1262 . 1 1 116 116 LYS H H 1 7.829 0.007 . 1 . . . . . 115 LYS H . 15230 1 1263 . 1 1 116 116 LYS HA H 1 4.538 0.006 . 1 . . . . . 115 LYS HA . 15230 1 1264 . 1 1 116 116 LYS HB2 H 1 1.637 0.003 . 2 . . . . . 115 LYS HB2 . 15230 1 1265 . 1 1 116 116 LYS HB3 H 1 1.946 0.003 . 2 . . . . . 115 LYS HB3 . 15230 1 1266 . 1 1 116 116 LYS HD2 H 1 1.577 0.002 . 2 . . . . . 115 LYS HD2 . 15230 1 1267 . 1 1 116 116 LYS HD3 H 1 1.577 0.002 . 2 . . . . . 115 LYS HD3 . 15230 1 1268 . 1 1 116 116 LYS HE2 H 1 3.173 0.003 . 1 . . . . . 115 LYS HE2 . 15230 1 1269 . 1 1 116 116 LYS HE3 H 1 3.173 0.003 . 1 . . . . . 115 LYS HE3 . 15230 1 1270 . 1 1 116 116 LYS HG2 H 1 1.265 0.002 . 2 . . . . . 115 LYS HG2 . 15230 1 1271 . 1 1 116 116 LYS HG3 H 1 1.407 0.003 . 2 . . . . . 115 LYS HG3 . 15230 1 1272 . 1 1 116 116 LYS C C 13 176.479 0.000 . 1 . . . . . 115 LYS C . 15230 1 1273 . 1 1 116 116 LYS CA C 13 54.456 0.030 . 1 . . . . . 115 LYS CA . 15230 1 1274 . 1 1 116 116 LYS CB C 13 30.613 0.021 . 1 . . . . . 115 LYS CB . 15230 1 1275 . 1 1 116 116 LYS CD C 13 27.252 0.017 . 1 . . . . . 115 LYS CD . 15230 1 1276 . 1 1 116 116 LYS CE C 13 43.565 0.015 . 1 . . . . . 115 LYS CE . 15230 1 1277 . 1 1 116 116 LYS CG C 13 24.206 0.016 . 1 . . . . . 115 LYS CG . 15230 1 1278 . 1 1 116 116 LYS N N 15 119.916 0.035 . 1 . . . . . 115 LYS N . 15230 1 1279 . 1 1 117 117 ALA H H 1 7.067 0.010 . 1 . . . . . 116 ALA H . 15230 1 1280 . 1 1 117 117 ALA HA H 1 4.039 0.005 . 1 . . . . . 116 ALA HA . 15230 1 1281 . 1 1 117 117 ALA HB1 H 1 1.417 0.004 . 1 . . . . . 116 ALA HB1 . 15230 1 1282 . 1 1 117 117 ALA HB2 H 1 1.417 0.004 . 1 . . . . . 116 ALA HB2 . 15230 1 1283 . 1 1 117 117 ALA HB3 H 1 1.417 0.004 . 1 . . . . . 116 ALA HB3 . 15230 1 1284 . 1 1 117 117 ALA C C 13 178.305 0.000 . 1 . . . . . 116 ALA C . 15230 1 1285 . 1 1 117 117 ALA CA C 13 54.505 0.058 . 1 . . . . . 116 ALA CA . 15230 1 1286 . 1 1 117 117 ALA CB C 13 18.959 0.047 . 1 . . . . . 116 ALA CB . 15230 1 1287 . 1 1 117 117 ALA N N 15 120.881 0.039 . 1 . . . . . 116 ALA N . 15230 1 1288 . 1 1 118 118 GLU H H 1 8.716 0.011 . 1 . . . . . 117 GLU H . 15230 1 1289 . 1 1 118 118 GLU HA H 1 4.190 0.002 . 1 . . . . . 117 GLU HA . 15230 1 1290 . 1 1 118 118 GLU HB2 H 1 1.931 0.006 . 2 . . . . . 117 GLU HB2 . 15230 1 1291 . 1 1 118 118 GLU HB3 H 1 2.097 0.002 . 2 . . . . . 117 GLU HB3 . 15230 1 1292 . 1 1 118 118 GLU HG2 H 1 2.204 0.003 . 1 . . . . . 117 GLU HG2 . 15230 1 1293 . 1 1 118 118 GLU HG3 H 1 2.204 0.003 . 1 . . . . . 117 GLU HG3 . 15230 1 1294 . 1 1 118 118 GLU C C 13 176.551 0.000 . 1 . . . . . 117 GLU C . 15230 1 1295 . 1 1 118 118 GLU CA C 13 56.870 0.028 . 1 . . . . . 117 GLU CA . 15230 1 1296 . 1 1 118 118 GLU CB C 13 29.331 0.049 . 1 . . . . . 117 GLU CB . 15230 1 1297 . 1 1 118 118 GLU CG C 13 36.617 0.007 . 1 . . . . . 117 GLU CG . 15230 1 1298 . 1 1 118 118 GLU N N 15 115.668 0.039 . 1 . . . . . 117 GLU N . 15230 1 1299 . 1 1 119 119 GLU H H 1 7.964 0.016 . 1 . . . . . 118 GLU H . 15230 1 1300 . 1 1 119 119 GLU HA H 1 4.323 0.004 . 1 . . . . . 118 GLU HA . 15230 1 1301 . 1 1 119 119 GLU HB2 H 1 1.940 0.003 . 1 . . . . . 118 GLU HB2 . 15230 1 1302 . 1 1 119 119 GLU HB3 H 1 1.940 0.003 . 1 . . . . . 118 GLU HB3 . 15230 1 1303 . 1 1 119 119 GLU HG2 H 1 2.185 0.003 . 1 . . . . . 118 GLU HG2 . 15230 1 1304 . 1 1 119 119 GLU HG3 H 1 2.185 0.003 . 1 . . . . . 118 GLU HG3 . 15230 1 1305 . 1 1 119 119 GLU C C 13 175.538 0.000 . 1 . . . . . 118 GLU C . 15230 1 1306 . 1 1 119 119 GLU CA C 13 55.646 0.034 . 1 . . . . . 118 GLU CA . 15230 1 1307 . 1 1 119 119 GLU CB C 13 30.569 0.020 . 1 . . . . . 118 GLU CB . 15230 1 1308 . 1 1 119 119 GLU CG C 13 36.313 0.030 . 1 . . . . . 118 GLU CG . 15230 1 1309 . 1 1 119 119 GLU N N 15 119.249 0.035 . 1 . . . . . 118 GLU N . 15230 1 1310 . 1 1 120 120 ASP H H 1 8.298 0.016 . 1 . . . . . 119 ASP H . 15230 1 1311 . 1 1 120 120 ASP HA H 1 4.460 0.001 . 1 . . . . . 119 ASP HA . 15230 1 1312 . 1 1 120 120 ASP HB2 H 1 2.621 0.002 . 1 . . . . . 119 ASP HB2 . 15230 1 1313 . 1 1 120 120 ASP HB3 H 1 2.621 0.002 . 1 . . . . . 119 ASP HB3 . 15230 1 1314 . 1 1 120 120 ASP C C 13 175.807 0.000 . 1 . . . . . 119 ASP C . 15230 1 1315 . 1 1 120 120 ASP CA C 13 54.917 0.022 . 1 . . . . . 119 ASP CA . 15230 1 1316 . 1 1 120 120 ASP CB C 13 41.659 0.014 . 1 . . . . . 119 ASP CB . 15230 1 1317 . 1 1 120 120 ASP N N 15 120.476 0.049 . 1 . . . . . 119 ASP N . 15230 1 1318 . 1 1 121 121 LYS H H 1 8.026 0.012 . 1 . . . . . 120 LYS H . 15230 1 1319 . 1 1 121 121 LYS HA H 1 4.301 0.004 . 1 . . . . . 120 LYS HA . 15230 1 1320 . 1 1 121 121 LYS HB2 H 1 1.689 0.001 . 2 . . . . . 120 LYS HB2 . 15230 1 1321 . 1 1 121 121 LYS HB3 H 1 1.689 0.001 . 2 . . . . . 120 LYS HB3 . 15230 1 1322 . 1 1 121 121 LYS HD2 H 1 1.638 0.003 . 1 . . . . . 120 LYS HD2 . 15230 1 1323 . 1 1 121 121 LYS HD3 H 1 1.638 0.003 . 1 . . . . . 120 LYS HD3 . 15230 1 1324 . 1 1 121 121 LYS HE2 H 1 2.952 0.004 . 2 . . . . . 120 LYS HE2 . 15230 1 1325 . 1 1 121 121 LYS HE3 H 1 2.952 0.004 . 2 . . . . . 120 LYS HE3 . 15230 1 1326 . 1 1 121 121 LYS HG2 H 1 1.293 0.004 . 2 . . . . . 120 LYS HG2 . 15230 1 1327 . 1 1 121 121 LYS HG3 H 1 1.293 0.004 . 2 . . . . . 120 LYS HG3 . 15230 1 1328 . 1 1 121 121 LYS C C 13 175.224 0.000 . 1 . . . . . 120 LYS C . 15230 1 1329 . 1 1 121 121 LYS CA C 13 55.368 0.021 . 1 . . . . . 120 LYS CA . 15230 1 1330 . 1 1 121 121 LYS CB C 13 33.333 0.027 . 1 . . . . . 120 LYS CB . 15230 1 1331 . 1 1 121 121 LYS CD C 13 29.059 0.040 . 1 . . . . . 120 LYS CD . 15230 1 1332 . 1 1 121 121 LYS CE C 13 42.067 0.023 . 1 . . . . . 120 LYS CE . 15230 1 1333 . 1 1 121 121 LYS CG C 13 24.775 0.069 . 1 . . . . . 120 LYS CG . 15230 1 1334 . 1 1 121 121 LYS N N 15 119.201 0.050 . 1 . . . . . 120 LYS N . 15230 1 1335 . 1 1 122 122 ILE H H 1 8.320 0.012 . 1 . . . . . 121 ILE H . 15230 1 1336 . 1 1 122 122 ILE HA H 1 4.395 0.003 . 1 . . . . . 121 ILE HA . 15230 1 1337 . 1 1 122 122 ILE HB H 1 1.616 0.003 . 1 . . . . . 121 ILE HB . 15230 1 1338 . 1 1 122 122 ILE HD11 H 1 0.689 0.002 . 1 . . . . . 121 ILE HD11 . 15230 1 1339 . 1 1 122 122 ILE HD12 H 1 0.689 0.002 . 1 . . . . . 121 ILE HD12 . 15230 1 1340 . 1 1 122 122 ILE HD13 H 1 0.689 0.002 . 1 . . . . . 121 ILE HD13 . 15230 1 1341 . 1 1 122 122 ILE HG12 H 1 1.015 0.003 . 2 . . . . . 121 ILE HG12 . 15230 1 1342 . 1 1 122 122 ILE HG13 H 1 1.249 0.002 . 2 . . . . . 121 ILE HG13 . 15230 1 1343 . 1 1 122 122 ILE HG21 H 1 0.709 0.003 . 1 . . . . . 121 ILE HG21 . 15230 1 1344 . 1 1 122 122 ILE HG22 H 1 0.709 0.003 . 1 . . . . . 121 ILE HG22 . 15230 1 1345 . 1 1 122 122 ILE HG23 H 1 0.709 0.003 . 1 . . . . . 121 ILE HG23 . 15230 1 1346 . 1 1 122 122 ILE CA C 13 57.818 0.011 . 1 . . . . . 121 ILE CA . 15230 1 1347 . 1 1 122 122 ILE CB C 13 39.653 0.034 . 1 . . . . . 121 ILE CB . 15230 1 1348 . 1 1 122 122 ILE CD1 C 13 14.317 0.016 . 1 . . . . . 121 ILE CD1 . 15230 1 1349 . 1 1 122 122 ILE CG1 C 13 28.173 0.096 . 1 . . . . . 121 ILE CG1 . 15230 1 1350 . 1 1 122 122 ILE CG2 C 13 17.938 0.023 . 1 . . . . . 121 ILE CG2 . 15230 1 1351 . 1 1 122 122 ILE N N 15 125.073 0.034 . 1 . . . . . 121 ILE N . 15230 1 1352 . 1 1 123 123 PRO HA H 1 4.418 0.003 . 1 . . . . . 122 PRO HA . 15230 1 1353 . 1 1 123 123 PRO HB2 H 1 1.994 0.002 . 2 . . . . . 122 PRO HB2 . 15230 1 1354 . 1 1 123 123 PRO HB3 H 1 2.099 0.003 . 2 . . . . . 122 PRO HB3 . 15230 1 1355 . 1 1 123 123 PRO HD2 H 1 3.945 0.001 . 1 . . . . . 122 PRO HD2 . 15230 1 1356 . 1 1 123 123 PRO HD3 H 1 3.945 0.001 . 1 . . . . . 122 PRO HD3 . 15230 1 1357 . 1 1 123 123 PRO HG2 H 1 1.678 0.002 . 2 . . . . . 122 PRO HG2 . 15230 1 1358 . 1 1 123 123 PRO HG3 H 1 1.957 0.002 . 2 . . . . . 122 PRO HG3 . 15230 1 1359 . 1 1 123 123 PRO C C 13 174.839 0.000 . 1 . . . . . 122 PRO C . 15230 1 1360 . 1 1 123 123 PRO CA C 13 63.500 0.019 . 1 . . . . . 122 PRO CA . 15230 1 1361 . 1 1 123 123 PRO CB C 13 32.417 0.014 . 1 . . . . . 122 PRO CB . 15230 1 1362 . 1 1 123 123 PRO CD C 13 51.401 0.005 . 1 . . . . . 122 PRO CD . 15230 1 1363 . 1 1 123 123 PRO CG C 13 28.126 0.069 . 1 . . . . . 122 PRO CG . 15230 1 1364 . 1 1 124 124 LEU H H 1 7.944 0.013 . 1 . . . . . 123 LEU H . 15230 1 1365 . 1 1 124 124 LEU HA H 1 5.443 0.003 . 1 . . . . . 123 LEU HA . 15230 1 1366 . 1 1 124 124 LEU HB2 H 1 1.563 0.002 . 2 . . . . . 123 LEU HB2 . 15230 1 1367 . 1 1 124 124 LEU HB3 H 1 1.660 0.002 . 2 . . . . . 123 LEU HB3 . 15230 1 1368 . 1 1 124 124 LEU HD11 H 1 0.609 0.003 . 2 . . . . . 123 LEU HD11 . 15230 1 1369 . 1 1 124 124 LEU HD12 H 1 0.609 0.003 . 2 . . . . . 123 LEU HD12 . 15230 1 1370 . 1 1 124 124 LEU HD13 H 1 0.609 0.003 . 2 . . . . . 123 LEU HD13 . 15230 1 1371 . 1 1 124 124 LEU HD21 H 1 0.684 0.004 . 2 . . . . . 123 LEU HD21 . 15230 1 1372 . 1 1 124 124 LEU HD22 H 1 0.684 0.004 . 2 . . . . . 123 LEU HD22 . 15230 1 1373 . 1 1 124 124 LEU HD23 H 1 0.684 0.004 . 2 . . . . . 123 LEU HD23 . 15230 1 1374 . 1 1 124 124 LEU HG H 1 1.655 0.006 . 1 . . . . . 123 LEU HG . 15230 1 1375 . 1 1 124 124 LEU C C 13 174.364 0.000 . 1 . . . . . 123 LEU C . 15230 1 1376 . 1 1 124 124 LEU CA C 13 55.112 0.023 . 1 . . . . . 123 LEU CA . 15230 1 1377 . 1 1 124 124 LEU CB C 13 45.742 0.024 . 1 . . . . . 123 LEU CB . 15230 1 1378 . 1 1 124 124 LEU CD1 C 13 26.395 0.021 . 2 . . . . . 123 LEU CD1 . 15230 1 1379 . 1 1 124 124 LEU CD2 C 13 25.797 0.026 . 2 . . . . . 123 LEU CD2 . 15230 1 1380 . 1 1 124 124 LEU CG C 13 26.327 0.136 . 1 . . . . . 123 LEU CG . 15230 1 1381 . 1 1 124 124 LEU N N 15 127.983 0.062 . 1 . . . . . 123 LEU N . 15230 1 1382 . 1 1 125 125 LEU H H 1 8.169 0.006 . 1 . . . . . 124 LEU H . 15230 1 1383 . 1 1 125 125 LEU HA H 1 4.645 0.005 . 1 . . . . . 124 LEU HA . 15230 1 1384 . 1 1 125 125 LEU HB2 H 1 1.329 0.003 . 2 . . . . . 124 LEU HB2 . 15230 1 1385 . 1 1 125 125 LEU HB3 H 1 1.459 0.005 . 2 . . . . . 124 LEU HB3 . 15230 1 1386 . 1 1 125 125 LEU HD11 H 1 0.696 0.007 . 2 . . . . . 124 LEU HD11 . 15230 1 1387 . 1 1 125 125 LEU HD12 H 1 0.696 0.007 . 2 . . . . . 124 LEU HD12 . 15230 1 1388 . 1 1 125 125 LEU HD13 H 1 0.696 0.007 . 2 . . . . . 124 LEU HD13 . 15230 1 1389 . 1 1 125 125 LEU HD21 H 1 0.753 0.008 . 2 . . . . . 124 LEU HD21 . 15230 1 1390 . 1 1 125 125 LEU HD22 H 1 0.753 0.008 . 2 . . . . . 124 LEU HD22 . 15230 1 1391 . 1 1 125 125 LEU HD23 H 1 0.753 0.008 . 2 . . . . . 124 LEU HD23 . 15230 1 1392 . 1 1 125 125 LEU HG H 1 1.651 0.003 . 1 . . . . . 124 LEU HG . 15230 1 1393 . 1 1 125 125 LEU C C 13 174.567 0.000 . 1 . . . . . 124 LEU C . 15230 1 1394 . 1 1 125 125 LEU CA C 13 56.207 0.048 . 1 . . . . . 124 LEU CA . 15230 1 1395 . 1 1 125 125 LEU CB C 13 46.633 0.044 . 1 . . . . . 124 LEU CB . 15230 1 1396 . 1 1 125 125 LEU CD1 C 13 26.042 0.036 . 2 . . . . . 124 LEU CD1 . 15230 1 1397 . 1 1 125 125 LEU CD2 C 13 26.047 0.026 . 2 . . . . . 124 LEU CD2 . 15230 1 1398 . 1 1 125 125 LEU CG C 13 29.136 0.138 . 1 . . . . . 124 LEU CG . 15230 1 1399 . 1 1 125 125 LEU N N 15 124.871 0.049 . 1 . . . . . 124 LEU N . 15230 1 1400 . 1 1 126 126 VAL H H 1 8.309 0.013 . 1 . . . . . 125 VAL H . 15230 1 1401 . 1 1 126 126 VAL HA H 1 4.905 0.005 . 1 . . . . . 125 VAL HA . 15230 1 1402 . 1 1 126 126 VAL HB H 1 2.324 0.003 . 1 . . . . . 125 VAL HB . 15230 1 1403 . 1 1 126 126 VAL HG11 H 1 1.246 0.003 . 2 . . . . . 125 VAL HG11 . 15230 1 1404 . 1 1 126 126 VAL HG12 H 1 1.246 0.003 . 2 . . . . . 125 VAL HG12 . 15230 1 1405 . 1 1 126 126 VAL HG13 H 1 1.246 0.003 . 2 . . . . . 125 VAL HG13 . 15230 1 1406 . 1 1 126 126 VAL HG21 H 1 1.439 0.002 . 2 . . . . . 125 VAL HG21 . 15230 1 1407 . 1 1 126 126 VAL HG22 H 1 1.439 0.002 . 2 . . . . . 125 VAL HG22 . 15230 1 1408 . 1 1 126 126 VAL HG23 H 1 1.439 0.002 . 2 . . . . . 125 VAL HG23 . 15230 1 1409 . 1 1 126 126 VAL C C 13 173.019 0.000 . 1 . . . . . 125 VAL C . 15230 1 1410 . 1 1 126 126 VAL CA C 13 62.328 0.033 . 1 . . . . . 125 VAL CA . 15230 1 1411 . 1 1 126 126 VAL CB C 13 32.636 0.060 . 1 . . . . . 125 VAL CB . 15230 1 1412 . 1 1 126 126 VAL CG1 C 13 22.891 0.045 . 2 . . . . . 125 VAL CG1 . 15230 1 1413 . 1 1 126 126 VAL CG2 C 13 22.018 0.032 . 2 . . . . . 125 VAL CG2 . 15230 1 1414 . 1 1 126 126 VAL N N 15 124.311 0.067 . 1 . . . . . 125 VAL N . 15230 1 1415 . 1 1 127 127 VAL H H 1 9.169 0.013 . 1 . . . . . 126 VAL H . 15230 1 1416 . 1 1 127 127 VAL HA H 1 4.847 0.004 . 1 . . . . . 126 VAL HA . 15230 1 1417 . 1 1 127 127 VAL HB H 1 1.737 0.003 . 1 . . . . . 126 VAL HB . 15230 1 1418 . 1 1 127 127 VAL HG11 H 1 0.565 0.004 . 2 . . . . . 126 VAL HG11 . 15230 1 1419 . 1 1 127 127 VAL HG12 H 1 0.565 0.004 . 2 . . . . . 126 VAL HG12 . 15230 1 1420 . 1 1 127 127 VAL HG13 H 1 0.565 0.004 . 2 . . . . . 126 VAL HG13 . 15230 1 1421 . 1 1 127 127 VAL HG21 H 1 0.681 0.004 . 2 . . . . . 126 VAL HG21 . 15230 1 1422 . 1 1 127 127 VAL HG22 H 1 0.681 0.004 . 2 . . . . . 126 VAL HG22 . 15230 1 1423 . 1 1 127 127 VAL HG23 H 1 0.681 0.004 . 2 . . . . . 126 VAL HG23 . 15230 1 1424 . 1 1 127 127 VAL C C 13 173.850 0.000 . 1 . . . . . 126 VAL C . 15230 1 1425 . 1 1 127 127 VAL CA C 13 60.326 0.022 . 1 . . . . . 126 VAL CA . 15230 1 1426 . 1 1 127 127 VAL CB C 13 34.825 0.014 . 1 . . . . . 126 VAL CB . 15230 1 1427 . 1 1 127 127 VAL CG1 C 13 22.978 0.035 . 2 . . . . . 126 VAL CG1 . 15230 1 1428 . 1 1 127 127 VAL CG2 C 13 23.593 0.040 . 2 . . . . . 126 VAL CG2 . 15230 1 1429 . 1 1 127 127 VAL N N 15 128.677 0.049 . 1 . . . . . 126 VAL N . 15230 1 1430 . 1 1 128 128 GLY H H 1 8.281 0.017 . 1 . . . . . 127 GLY H . 15230 1 1431 . 1 1 128 128 GLY HA2 H 1 2.694 0.005 . 2 . . . . . 127 GLY HA2 . 15230 1 1432 . 1 1 128 128 GLY HA3 H 1 2.935 0.006 . 2 . . . . . 127 GLY HA3 . 15230 1 1433 . 1 1 128 128 GLY C C 13 171.989 0.000 . 1 . . . . . 127 GLY C . 15230 1 1434 . 1 1 128 128 GLY CA C 13 45.053 0.020 . 1 . . . . . 127 GLY CA . 15230 1 1435 . 1 1 128 128 GLY N N 15 114.748 0.054 . 1 . . . . . 127 GLY N . 15230 1 1436 . 1 1 129 129 ASN H H 1 8.762 0.017 . 1 . . . . . 128 ASN H . 15230 1 1437 . 1 1 129 129 ASN HA H 1 5.478 0.002 . 1 . . . . . 128 ASN HA . 15230 1 1438 . 1 1 129 129 ASN HB2 H 1 2.138 0.005 . 2 . . . . . 128 ASN HB2 . 15230 1 1439 . 1 1 129 129 ASN HB3 H 1 2.600 0.002 . 2 . . . . . 128 ASN HB3 . 15230 1 1440 . 1 1 129 129 ASN HD21 H 1 7.572 0.007 . 1 . . . . . 128 ASN HD21 . 15230 1 1441 . 1 1 129 129 ASN HD22 H 1 8.687 0.027 . 1 . . . . . 128 ASN HD22 . 15230 1 1442 . 1 1 129 129 ASN C C 13 174.218 0.000 . 1 . . . . . 128 ASN C . 15230 1 1443 . 1 1 129 129 ASN CA C 13 51.527 0.028 . 1 . . . . . 128 ASN CA . 15230 1 1444 . 1 1 129 129 ASN CB C 13 41.025 0.045 . 1 . . . . . 128 ASN CB . 15230 1 1445 . 1 1 129 129 ASN N N 15 121.663 0.047 . 1 . . . . . 128 ASN N . 15230 1 1446 . 1 1 129 129 ASN ND2 N 15 120.390 0.060 . 1 . . . . . 128 ASN ND2 . 15230 1 1447 . 1 1 130 130 LYS H H 1 7.235 0.014 . 1 . . . . . 129 LYS H . 15230 1 1448 . 1 1 130 130 LYS HA H 1 4.134 0.004 . 1 . . . . . 129 LYS HA . 15230 1 1449 . 1 1 130 130 LYS HB2 H 1 1.446 0.004 . 2 . . . . . 129 LYS HB2 . 15230 1 1450 . 1 1 130 130 LYS HB3 H 1 2.552 0.003 . 2 . . . . . 129 LYS HB3 . 15230 1 1451 . 1 1 130 130 LYS HD2 H 1 0.424 0.003 . 2 . . . . . 129 LYS HD2 . 15230 1 1452 . 1 1 130 130 LYS HD3 H 1 0.856 0.004 . 2 . . . . . 129 LYS HD3 . 15230 1 1453 . 1 1 130 130 LYS C C 13 178.066 0.000 . 1 . . . . . 129 LYS C . 15230 1 1454 . 1 1 130 130 LYS CA C 13 57.230 0.032 . 1 . . . . . 129 LYS CA . 15230 1 1455 . 1 1 130 130 LYS CB C 13 29.250 0.030 . 1 . . . . . 129 LYS CB . 15230 1 1456 . 1 1 130 130 LYS CD C 13 26.573 0.043 . 1 . . . . . 129 LYS CD . 15230 1 1457 . 1 1 130 130 LYS N N 15 110.658 0.053 . 1 . . . . . 129 LYS N . 15230 1 1458 . 1 1 131 131 SER H H 1 9.167 0.009 . 1 . . . . . 130 SER H . 15230 1 1459 . 1 1 131 131 SER HA H 1 3.802 0.006 . 1 . . . . . 130 SER HA . 15230 1 1460 . 1 1 131 131 SER HB2 H 1 3.513 0.003 . 2 . . . . . 130 SER HB2 . 15230 1 1461 . 1 1 131 131 SER HB3 H 1 3.986 0.005 . 2 . . . . . 130 SER HB3 . 15230 1 1462 . 1 1 131 131 SER C C 13 174.450 0.000 . 1 . . . . . 130 SER C . 15230 1 1463 . 1 1 131 131 SER CA C 13 60.631 0.035 . 1 . . . . . 130 SER CA . 15230 1 1464 . 1 1 131 131 SER CB C 13 62.660 0.033 . 1 . . . . . 130 SER CB . 15230 1 1465 . 1 1 131 131 SER N N 15 114.260 0.056 . 1 . . . . . 130 SER N . 15230 1 1466 . 1 1 132 132 ASP H H 1 8.675 0.007 . 1 . . . . . 131 ASP H . 15230 1 1467 . 1 1 132 132 ASP HA H 1 4.512 0.005 . 1 . . . . . 131 ASP HA . 15230 1 1468 . 1 1 132 132 ASP HB2 H 1 2.536 0.012 . 2 . . . . . 131 ASP HB2 . 15230 1 1469 . 1 1 132 132 ASP HB3 H 1 2.643 0.009 . 2 . . . . . 131 ASP HB3 . 15230 1 1470 . 1 1 132 132 ASP C C 13 176.228 0.000 . 1 . . . . . 131 ASP C . 15230 1 1471 . 1 1 132 132 ASP CA C 13 54.718 0.032 . 1 . . . . . 131 ASP CA . 15230 1 1472 . 1 1 132 132 ASP CB C 13 40.065 0.066 . 1 . . . . . 131 ASP CB . 15230 1 1473 . 1 1 132 132 ASP N N 15 116.623 0.055 . 1 . . . . . 131 ASP N . 15230 1 1474 . 1 1 133 133 LEU H H 1 8.067 0.012 . 1 . . . . . 132 LEU H . 15230 1 1475 . 1 1 133 133 LEU HA H 1 4.658 0.005 . 1 . . . . . 132 LEU HA . 15230 1 1476 . 1 1 133 133 LEU HB2 H 1 1.276 0.002 . 2 . . . . . 132 LEU HB2 . 15230 1 1477 . 1 1 133 133 LEU HB3 H 1 1.829 0.004 . 2 . . . . . 132 LEU HB3 . 15230 1 1478 . 1 1 133 133 LEU HD11 H 1 0.670 0.003 . 2 . . . . . 132 LEU HD11 . 15230 1 1479 . 1 1 133 133 LEU HD12 H 1 0.670 0.003 . 2 . . . . . 132 LEU HD12 . 15230 1 1480 . 1 1 133 133 LEU HD13 H 1 0.670 0.003 . 2 . . . . . 132 LEU HD13 . 15230 1 1481 . 1 1 133 133 LEU HD21 H 1 0.886 0.003 . 2 . . . . . 132 LEU HD21 . 15230 1 1482 . 1 1 133 133 LEU HD22 H 1 0.886 0.003 . 2 . . . . . 132 LEU HD22 . 15230 1 1483 . 1 1 133 133 LEU HD23 H 1 0.886 0.003 . 2 . . . . . 132 LEU HD23 . 15230 1 1484 . 1 1 133 133 LEU HG H 1 1.473 0.007 . 1 . . . . . 132 LEU HG . 15230 1 1485 . 1 1 133 133 LEU C C 13 176.607 0.000 . 1 . . . . . 132 LEU C . 15230 1 1486 . 1 1 133 133 LEU CA C 13 52.995 0.027 . 1 . . . . . 132 LEU CA . 15230 1 1487 . 1 1 133 133 LEU CB C 13 39.877 0.013 . 1 . . . . . 132 LEU CB . 15230 1 1488 . 1 1 133 133 LEU CD1 C 13 22.801 0.021 . 2 . . . . . 132 LEU CD1 . 15230 1 1489 . 1 1 133 133 LEU CD2 C 13 26.981 0.111 . 2 . . . . . 132 LEU CD2 . 15230 1 1490 . 1 1 133 133 LEU CG C 13 26.060 0.129 . 1 . . . . . 132 LEU CG . 15230 1 1491 . 1 1 133 133 LEU N N 15 123.048 0.036 . 1 . . . . . 132 LEU N . 15230 1 1492 . 1 1 134 134 GLU H H 1 6.654 0.011 . 1 . . . . . 133 GLU H . 15230 1 1493 . 1 1 134 134 GLU HA H 1 3.696 0.003 . 1 . . . . . 133 GLU HA . 15230 1 1494 . 1 1 134 134 GLU HB2 H 1 1.830 0.003 . 2 . . . . . 133 GLU HB2 . 15230 1 1495 . 1 1 134 134 GLU HB3 H 1 2.156 0.004 . 2 . . . . . 133 GLU HB3 . 15230 1 1496 . 1 1 134 134 GLU HG2 H 1 2.079 0.004 . 2 . . . . . 133 GLU HG2 . 15230 1 1497 . 1 1 134 134 GLU HG3 H 1 2.402 0.003 . 2 . . . . . 133 GLU HG3 . 15230 1 1498 . 1 1 134 134 GLU C C 13 178.162 0.000 . 1 . . . . . 133 GLU C . 15230 1 1499 . 1 1 134 134 GLU CA C 13 59.276 0.022 . 1 . . . . . 133 GLU CA . 15230 1 1500 . 1 1 134 134 GLU CB C 13 30.271 0.021 . 1 . . . . . 133 GLU CB . 15230 1 1501 . 1 1 134 134 GLU CG C 13 34.510 0.020 . 1 . . . . . 133 GLU CG . 15230 1 1502 . 1 1 134 134 GLU N N 15 119.324 0.039 . 1 . . . . . 133 GLU N . 15230 1 1503 . 1 1 135 135 GLU H H 1 9.151 0.008 . 1 . . . . . 134 GLU H . 15230 1 1504 . 1 1 135 135 GLU HA H 1 4.121 0.004 . 1 . . . . . 134 GLU HA . 15230 1 1505 . 1 1 135 135 GLU HB2 H 1 1.995 0.002 . 2 . . . . . 134 GLU HB2 . 15230 1 1506 . 1 1 135 135 GLU HB3 H 1 1.995 0.002 . 2 . . . . . 134 GLU HB3 . 15230 1 1507 . 1 1 135 135 GLU HG2 H 1 2.190 0.005 . 2 . . . . . 134 GLU HG2 . 15230 1 1508 . 1 1 135 135 GLU HG3 H 1 2.267 0.005 . 2 . . . . . 134 GLU HG3 . 15230 1 1509 . 1 1 135 135 GLU C C 13 177.016 0.000 . 1 . . . . . 134 GLU C . 15230 1 1510 . 1 1 135 135 GLU CA C 13 58.679 0.019 . 1 . . . . . 134 GLU CA . 15230 1 1511 . 1 1 135 135 GLU CB C 13 29.085 0.038 . 1 . . . . . 134 GLU CB . 15230 1 1512 . 1 1 135 135 GLU CG C 13 36.305 0.033 . 1 . . . . . 134 GLU CG . 15230 1 1513 . 1 1 135 135 GLU N N 15 116.864 0.037 . 1 . . . . . 134 GLU N . 15230 1 1514 . 1 1 136 136 ARG H H 1 7.929 0.010 . 1 . . . . . 135 ARG H . 15230 1 1515 . 1 1 136 136 ARG HA H 1 4.516 0.003 . 1 . . . . . 135 ARG HA . 15230 1 1516 . 1 1 136 136 ARG HB2 H 1 1.639 0.003 . 2 . . . . . 135 ARG HB2 . 15230 1 1517 . 1 1 136 136 ARG HB3 H 1 2.225 0.003 . 2 . . . . . 135 ARG HB3 . 15230 1 1518 . 1 1 136 136 ARG HD2 H 1 3.166 0.002 . 1 . . . . . 135 ARG HD2 . 15230 1 1519 . 1 1 136 136 ARG HD3 H 1 3.166 0.002 . 1 . . . . . 135 ARG HD3 . 15230 1 1520 . 1 1 136 136 ARG HG2 H 1 1.578 0.002 . 1 . . . . . 135 ARG HG2 . 15230 1 1521 . 1 1 136 136 ARG HG3 H 1 1.578 0.002 . 1 . . . . . 135 ARG HG3 . 15230 1 1522 . 1 1 136 136 ARG C C 13 175.477 0.000 . 1 . . . . . 135 ARG C . 15230 1 1523 . 1 1 136 136 ARG CA C 13 54.142 0.015 . 1 . . . . . 135 ARG CA . 15230 1 1524 . 1 1 136 136 ARG CB C 13 30.619 0.015 . 1 . . . . . 135 ARG CB . 15230 1 1525 . 1 1 136 136 ARG CD C 13 43.566 0.017 . 1 . . . . . 135 ARG CD . 15230 1 1526 . 1 1 136 136 ARG CG C 13 26.921 0.020 . 1 . . . . . 135 ARG CG . 15230 1 1527 . 1 1 136 136 ARG N N 15 117.253 0.041 . 1 . . . . . 135 ARG N . 15230 1 1528 . 1 1 137 137 ARG H H 1 7.434 0.011 . 1 . . . . . 136 ARG H . 15230 1 1529 . 1 1 137 137 ARG HA H 1 3.482 0.002 . 1 . . . . . 136 ARG HA . 15230 1 1530 . 1 1 137 137 ARG HB2 H 1 1.558 0.003 . 2 . . . . . 136 ARG HB2 . 15230 1 1531 . 1 1 137 137 ARG HB3 H 1 1.942 0.003 . 2 . . . . . 136 ARG HB3 . 15230 1 1532 . 1 1 137 137 ARG HD2 H 1 2.873 0.003 . 2 . . . . . 136 ARG HD2 . 15230 1 1533 . 1 1 137 137 ARG HD3 H 1 3.597 0.003 . 2 . . . . . 136 ARG HD3 . 15230 1 1534 . 1 1 137 137 ARG HE H 1 8.142 0.032 . 1 . . . . . 136 ARG HE . 15230 1 1535 . 1 1 137 137 ARG HG2 H 1 1.114 0.003 . 1 . . . . . 136 ARG HG2 . 15230 1 1536 . 1 1 137 137 ARG HG3 H 1 1.114 0.003 . 1 . . . . . 136 ARG HG3 . 15230 1 1537 . 1 1 137 137 ARG HH11 H 1 8.548 0.000 . 1 . . . . . 136 ARG HH11 . 15230 1 1538 . 1 1 137 137 ARG HH12 H 1 8.548 0.000 . 1 . . . . . 136 ARG HH12 . 15230 1 1539 . 1 1 137 137 ARG HH21 H 1 8.548 0.000 . 1 . . . . . 136 ARG HH21 . 15230 1 1540 . 1 1 137 137 ARG HH22 H 1 8.548 0.000 . 1 . . . . . 136 ARG HH22 . 15230 1 1541 . 1 1 137 137 ARG C C 13 176.780 0.000 . 1 . . . . . 136 ARG C . 15230 1 1542 . 1 1 137 137 ARG CA C 13 58.724 0.040 . 1 . . . . . 136 ARG CA . 15230 1 1543 . 1 1 137 137 ARG CB C 13 31.813 0.095 . 1 . . . . . 136 ARG CB . 15230 1 1544 . 1 1 137 137 ARG CD C 13 43.490 0.037 . 1 . . . . . 136 ARG CD . 15230 1 1545 . 1 1 137 137 ARG CG C 13 29.365 0.021 . 1 . . . . . 136 ARG CG . 15230 1 1546 . 1 1 137 137 ARG N N 15 120.348 0.035 . 1 . . . . . 136 ARG N . 15230 1 1547 . 1 1 137 137 ARG NE N 15 80.015 0.051 . 1 . . . . . 136 ARG NE . 15230 1 1548 . 1 1 138 138 GLN H H 1 9.542 0.011 . 1 . . . . . 137 GLN H . 15230 1 1549 . 1 1 138 138 GLN HA H 1 4.545 0.002 . 1 . . . . . 137 GLN HA . 15230 1 1550 . 1 1 138 138 GLN HB2 H 1 1.478 0.003 . 2 . . . . . 137 GLN HB2 . 15230 1 1551 . 1 1 138 138 GLN HB3 H 1 1.478 0.003 . 2 . . . . . 137 GLN HB3 . 15230 1 1552 . 1 1 138 138 GLN HE21 H 1 6.966 0.021 . 1 . . . . . 137 GLN HE21 . 15230 1 1553 . 1 1 138 138 GLN HE22 H 1 7.384 0.016 . 1 . . . . . 137 GLN HE22 . 15230 1 1554 . 1 1 138 138 GLN HG2 H 1 2.462 0.004 . 2 . . . . . 137 GLN HG2 . 15230 1 1555 . 1 1 138 138 GLN HG3 H 1 2.666 0.003 . 2 . . . . . 137 GLN HG3 . 15230 1 1556 . 1 1 138 138 GLN C C 13 174.791 0.000 . 1 . . . . . 137 GLN C . 15230 1 1557 . 1 1 138 138 GLN CA C 13 55.327 0.017 . 1 . . . . . 137 GLN CA . 15230 1 1558 . 1 1 138 138 GLN CB C 13 32.687 0.022 . 1 . . . . . 137 GLN CB . 15230 1 1559 . 1 1 138 138 GLN CD C 13 180.688 0.005 . 1 . . . . . 137 GLN CD . 15230 1 1560 . 1 1 138 138 GLN CG C 13 33.929 0.064 . 1 . . . . . 137 GLN CG . 15230 1 1561 . 1 1 138 138 GLN N N 15 123.920 0.048 . 1 . . . . . 137 GLN N . 15230 1 1562 . 1 1 138 138 GLN NE2 N 15 110.766 0.044 . 1 . . . . . 137 GLN NE2 . 15230 1 1563 . 1 1 139 139 VAL H H 1 7.199 0.015 . 1 . . . . . 138 VAL H . 15230 1 1564 . 1 1 139 139 VAL HA H 1 4.373 0.002 . 1 . . . . . 138 VAL HA . 15230 1 1565 . 1 1 139 139 VAL HB H 1 2.033 0.002 . 1 . . . . . 138 VAL HB . 15230 1 1566 . 1 1 139 139 VAL HG11 H 1 -0.049 0.002 . 2 . . . . . 138 VAL HG11 . 15230 1 1567 . 1 1 139 139 VAL HG12 H 1 -0.049 0.002 . 2 . . . . . 138 VAL HG12 . 15230 1 1568 . 1 1 139 139 VAL HG13 H 1 -0.049 0.002 . 2 . . . . . 138 VAL HG13 . 15230 1 1569 . 1 1 139 139 VAL HG21 H 1 0.747 0.002 . 2 . . . . . 138 VAL HG21 . 15230 1 1570 . 1 1 139 139 VAL HG22 H 1 0.747 0.002 . 2 . . . . . 138 VAL HG22 . 15230 1 1571 . 1 1 139 139 VAL HG23 H 1 0.747 0.002 . 2 . . . . . 138 VAL HG23 . 15230 1 1572 . 1 1 139 139 VAL CA C 13 59.022 0.041 . 1 . . . . . 138 VAL CA . 15230 1 1573 . 1 1 139 139 VAL CB C 13 33.284 0.083 . 1 . . . . . 138 VAL CB . 15230 1 1574 . 1 1 139 139 VAL CG1 C 13 19.607 0.015 . 2 . . . . . 138 VAL CG1 . 15230 1 1575 . 1 1 139 139 VAL CG2 C 13 20.341 0.030 . 2 . . . . . 138 VAL CG2 . 15230 1 1576 . 1 1 139 139 VAL N N 15 120.590 0.046 . 1 . . . . . 138 VAL N . 15230 1 1577 . 1 1 140 140 PRO HA H 1 4.363 0.003 . 1 . . . . . 139 PRO HA . 15230 1 1578 . 1 1 140 140 PRO HB2 H 1 1.676 0.001 . 2 . . . . . 139 PRO HB2 . 15230 1 1579 . 1 1 140 140 PRO HB3 H 1 2.370 0.003 . 2 . . . . . 139 PRO HB3 . 15230 1 1580 . 1 1 140 140 PRO HD2 H 1 3.865 0.003 . 1 . . . . . 139 PRO HD2 . 15230 1 1581 . 1 1 140 140 PRO HD3 H 1 3.865 0.003 . 1 . . . . . 139 PRO HD3 . 15230 1 1582 . 1 1 140 140 PRO HG2 H 1 1.819 0.003 . 2 . . . . . 139 PRO HG2 . 15230 1 1583 . 1 1 140 140 PRO HG3 H 1 2.046 0.002 . 2 . . . . . 139 PRO HG3 . 15230 1 1584 . 1 1 140 140 PRO C C 13 177.227 0.000 . 1 . . . . . 139 PRO C . 15230 1 1585 . 1 1 140 140 PRO CA C 13 62.594 0.014 . 1 . . . . . 139 PRO CA . 15230 1 1586 . 1 1 140 140 PRO CB C 13 32.682 0.066 . 1 . . . . . 139 PRO CB . 15230 1 1587 . 1 1 140 140 PRO CD C 13 50.856 0.064 . 1 . . . . . 139 PRO CD . 15230 1 1588 . 1 1 140 140 PRO CG C 13 27.631 0.010 . 1 . . . . . 139 PRO CG . 15230 1 1589 . 1 1 141 141 VAL H H 1 8.801 0.012 . 1 . . . . . 140 VAL H . 15230 1 1590 . 1 1 141 141 VAL HA H 1 3.492 0.004 . 1 . . . . . 140 VAL HA . 15230 1 1591 . 1 1 141 141 VAL HB H 1 1.925 0.003 . 1 . . . . . 140 VAL HB . 15230 1 1592 . 1 1 141 141 VAL HG11 H 1 0.935 0.003 . 2 . . . . . 140 VAL HG11 . 15230 1 1593 . 1 1 141 141 VAL HG12 H 1 0.935 0.003 . 2 . . . . . 140 VAL HG12 . 15230 1 1594 . 1 1 141 141 VAL HG13 H 1 0.935 0.003 . 2 . . . . . 140 VAL HG13 . 15230 1 1595 . 1 1 141 141 VAL HG21 H 1 1.181 0.002 . 2 . . . . . 140 VAL HG21 . 15230 1 1596 . 1 1 141 141 VAL HG22 H 1 1.181 0.002 . 2 . . . . . 140 VAL HG22 . 15230 1 1597 . 1 1 141 141 VAL HG23 H 1 1.181 0.002 . 2 . . . . . 140 VAL HG23 . 15230 1 1598 . 1 1 141 141 VAL C C 13 177.644 0.000 . 1 . . . . . 140 VAL C . 15230 1 1599 . 1 1 141 141 VAL CA C 13 66.262 0.034 . 1 . . . . . 140 VAL CA . 15230 1 1600 . 1 1 141 141 VAL CB C 13 32.087 0.023 . 1 . . . . . 140 VAL CB . 15230 1 1601 . 1 1 141 141 VAL CG1 C 13 21.194 0.053 . 2 . . . . . 140 VAL CG1 . 15230 1 1602 . 1 1 141 141 VAL CG2 C 13 22.138 0.024 . 2 . . . . . 140 VAL CG2 . 15230 1 1603 . 1 1 141 141 VAL N N 15 125.945 0.052 . 1 . . . . . 140 VAL N . 15230 1 1604 . 1 1 142 142 GLU H H 1 8.826 0.010 . 1 . . . . . 141 GLU H . 15230 1 1605 . 1 1 142 142 GLU HA H 1 3.868 0.003 . 1 . . . . . 141 GLU HA . 15230 1 1606 . 1 1 142 142 GLU HB2 H 1 1.865 0.003 . 1 . . . . . 141 GLU HB2 . 15230 1 1607 . 1 1 142 142 GLU HB3 H 1 1.865 0.003 . 1 . . . . . 141 GLU HB3 . 15230 1 1608 . 1 1 142 142 GLU HG2 H 1 2.192 0.003 . 2 . . . . . 141 GLU HG2 . 15230 1 1609 . 1 1 142 142 GLU HG3 H 1 2.267 0.005 . 2 . . . . . 141 GLU HG3 . 15230 1 1610 . 1 1 142 142 GLU C C 13 178.954 0.000 . 1 . . . . . 141 GLU C . 15230 1 1611 . 1 1 142 142 GLU CA C 13 59.258 0.024 . 1 . . . . . 141 GLU CA . 15230 1 1612 . 1 1 142 142 GLU CB C 13 28.792 0.039 . 1 . . . . . 141 GLU CB . 15230 1 1613 . 1 1 142 142 GLU CG C 13 36.306 0.035 . 1 . . . . . 141 GLU CG . 15230 1 1614 . 1 1 142 142 GLU N N 15 114.368 0.036 . 1 . . . . . 141 GLU N . 15230 1 1615 . 1 1 143 143 GLU H H 1 6.970 0.011 . 1 . . . . . 142 GLU H . 15230 1 1616 . 1 1 143 143 GLU HA H 1 3.829 0.003 . 1 . . . . . 142 GLU HA . 15230 1 1617 . 1 1 143 143 GLU HB2 H 1 1.788 0.002 . 2 . . . . . 142 GLU HB2 . 15230 1 1618 . 1 1 143 143 GLU HB3 H 1 1.788 0.002 . 2 . . . . . 142 GLU HB3 . 15230 1 1619 . 1 1 143 143 GLU HG2 H 1 1.843 0.004 . 2 . . . . . 142 GLU HG2 . 15230 1 1620 . 1 1 143 143 GLU HG3 H 1 2.135 0.003 . 2 . . . . . 142 GLU HG3 . 15230 1 1621 . 1 1 143 143 GLU C C 13 178.515 0.000 . 1 . . . . . 142 GLU C . 15230 1 1622 . 1 1 143 143 GLU CA C 13 58.951 0.022 . 1 . . . . . 142 GLU CA . 15230 1 1623 . 1 1 143 143 GLU CB C 13 29.668 0.019 . 1 . . . . . 142 GLU CB . 15230 1 1624 . 1 1 143 143 GLU CG C 13 35.764 0.042 . 1 . . . . . 142 GLU CG . 15230 1 1625 . 1 1 143 143 GLU N N 15 120.259 0.061 . 1 . . . . . 142 GLU N . 15230 1 1626 . 1 1 144 144 ALA H H 1 6.755 0.016 . 1 . . . . . 143 ALA H . 15230 1 1627 . 1 1 144 144 ALA HA H 1 3.515 0.006 . 1 . . . . . 143 ALA HA . 15230 1 1628 . 1 1 144 144 ALA HB1 H 1 0.386 0.005 . 1 . . . . . 143 ALA HB1 . 15230 1 1629 . 1 1 144 144 ALA HB2 H 1 0.386 0.005 . 1 . . . . . 143 ALA HB2 . 15230 1 1630 . 1 1 144 144 ALA HB3 H 1 0.386 0.005 . 1 . . . . . 143 ALA HB3 . 15230 1 1631 . 1 1 144 144 ALA C C 13 178.603 0.000 . 1 . . . . . 143 ALA C . 15230 1 1632 . 1 1 144 144 ALA CA C 13 54.726 0.026 . 1 . . . . . 143 ALA CA . 15230 1 1633 . 1 1 144 144 ALA CB C 13 17.635 0.065 . 1 . . . . . 143 ALA CB . 15230 1 1634 . 1 1 144 144 ALA N N 15 121.644 0.043 . 1 . . . . . 143 ALA N . 15230 1 1635 . 1 1 145 145 ARG H H 1 8.531 0.013 . 1 . . . . . 144 ARG H . 15230 1 1636 . 1 1 145 145 ARG HA H 1 3.540 0.003 . 1 . . . . . 144 ARG HA . 15230 1 1637 . 1 1 145 145 ARG HB2 H 1 1.716 0.002 . 1 . . . . . 144 ARG HB2 . 15230 1 1638 . 1 1 145 145 ARG HB3 H 1 1.716 0.002 . 1 . . . . . 144 ARG HB3 . 15230 1 1639 . 1 1 145 145 ARG HD2 H 1 3.147 0.003 . 1 . . . . . 144 ARG HD2 . 15230 1 1640 . 1 1 145 145 ARG HD3 H 1 3.147 0.003 . 1 . . . . . 144 ARG HD3 . 15230 1 1641 . 1 1 145 145 ARG HG2 H 1 1.610 0.002 . 2 . . . . . 144 ARG HG2 . 15230 1 1642 . 1 1 145 145 ARG HG3 H 1 1.783 0.004 . 2 . . . . . 144 ARG HG3 . 15230 1 1643 . 1 1 145 145 ARG C C 13 178.975 0.000 . 1 . . . . . 144 ARG C . 15230 1 1644 . 1 1 145 145 ARG CA C 13 59.888 0.037 . 1 . . . . . 144 ARG CA . 15230 1 1645 . 1 1 145 145 ARG CB C 13 30.314 0.018 . 1 . . . . . 144 ARG CB . 15230 1 1646 . 1 1 145 145 ARG CD C 13 43.564 0.015 . 1 . . . . . 144 ARG CD . 15230 1 1647 . 1 1 145 145 ARG CG C 13 27.816 0.027 . 1 . . . . . 144 ARG CG . 15230 1 1648 . 1 1 145 145 ARG N N 15 116.814 0.056 . 1 . . . . . 144 ARG N . 15230 1 1649 . 1 1 146 146 SER H H 1 7.706 0.016 . 1 . . . . . 145 SER H . 15230 1 1650 . 1 1 146 146 SER HA H 1 4.050 0.005 . 1 . . . . . 145 SER HA . 15230 1 1651 . 1 1 146 146 SER HB2 H 1 3.802 0.005 . 2 . . . . . 145 SER HB2 . 15230 1 1652 . 1 1 146 146 SER HB3 H 1 3.838 0.004 . 2 . . . . . 145 SER HB3 . 15230 1 1653 . 1 1 146 146 SER C C 13 176.819 0.000 . 1 . . . . . 145 SER C . 15230 1 1654 . 1 1 146 146 SER CA C 13 61.558 0.048 . 1 . . . . . 145 SER CA . 15230 1 1655 . 1 1 146 146 SER CB C 13 62.605 0.050 . 1 . . . . . 145 SER CB . 15230 1 1656 . 1 1 146 146 SER N N 15 112.746 0.042 . 1 . . . . . 145 SER N . 15230 1 1657 . 1 1 147 147 LYS H H 1 7.128 0.014 . 1 . . . . . 146 LYS H . 15230 1 1658 . 1 1 147 147 LYS HA H 1 3.590 0.003 . 1 . . . . . 146 LYS HA . 15230 1 1659 . 1 1 147 147 LYS HB2 H 1 1.153 0.004 . 2 . . . . . 146 LYS HB2 . 15230 1 1660 . 1 1 147 147 LYS HB3 H 1 1.483 0.008 . 2 . . . . . 146 LYS HB3 . 15230 1 1661 . 1 1 147 147 LYS HD2 H 1 1.029 0.004 . 2 . . . . . 146 LYS HD2 . 15230 1 1662 . 1 1 147 147 LYS HD3 H 1 1.029 0.004 . 2 . . . . . 146 LYS HD3 . 15230 1 1663 . 1 1 147 147 LYS HE2 H 1 2.412 0.008 . 2 . . . . . 146 LYS HE2 . 15230 1 1664 . 1 1 147 147 LYS HE3 H 1 2.575 0.005 . 2 . . . . . 146 LYS HE3 . 15230 1 1665 . 1 1 147 147 LYS HG2 H 1 -0.343 0.010 . 2 . . . . . 146 LYS HG2 . 15230 1 1666 . 1 1 147 147 LYS HG3 H 1 0.502 0.003 . 2 . . . . . 146 LYS HG3 . 15230 1 1667 . 1 1 147 147 LYS C C 13 176.340 0.000 . 1 . . . . . 146 LYS C . 15230 1 1668 . 1 1 147 147 LYS CA C 13 56.658 0.044 . 1 . . . . . 146 LYS CA . 15230 1 1669 . 1 1 147 147 LYS CB C 13 30.011 0.044 . 1 . . . . . 146 LYS CB . 15230 1 1670 . 1 1 147 147 LYS CD C 13 26.352 0.051 . 1 . . . . . 146 LYS CD . 15230 1 1671 . 1 1 147 147 LYS CE C 13 41.175 0.052 . 1 . . . . . 146 LYS CE . 15230 1 1672 . 1 1 147 147 LYS CG C 13 21.608 0.055 . 1 . . . . . 146 LYS CG . 15230 1 1673 . 1 1 147 147 LYS N N 15 123.340 0.062 . 1 . . . . . 146 LYS N . 15230 1 1674 . 1 1 148 148 ALA H H 1 7.733 0.008 . 1 . . . . . 147 ALA H . 15230 1 1675 . 1 1 148 148 ALA HA H 1 3.712 0.002 . 1 . . . . . 147 ALA HA . 15230 1 1676 . 1 1 148 148 ALA HB1 H 1 1.375 0.006 . 1 . . . . . 147 ALA HB1 . 15230 1 1677 . 1 1 148 148 ALA HB2 H 1 1.375 0.006 . 1 . . . . . 147 ALA HB2 . 15230 1 1678 . 1 1 148 148 ALA HB3 H 1 1.375 0.006 . 1 . . . . . 147 ALA HB3 . 15230 1 1679 . 1 1 148 148 ALA C C 13 179.397 0.000 . 1 . . . . . 147 ALA C . 15230 1 1680 . 1 1 148 148 ALA CA C 13 55.485 0.040 . 1 . . . . . 147 ALA CA . 15230 1 1681 . 1 1 148 148 ALA CB C 13 17.982 0.023 . 1 . . . . . 147 ALA CB . 15230 1 1682 . 1 1 148 148 ALA N N 15 119.316 0.058 . 1 . . . . . 147 ALA N . 15230 1 1683 . 1 1 149 149 GLU H H 1 8.157 0.014 . 1 . . . . . 148 GLU H . 15230 1 1684 . 1 1 149 149 GLU HA H 1 4.078 0.002 . 1 . . . . . 148 GLU HA . 15230 1 1685 . 1 1 149 149 GLU HB2 H 1 2.005 0.000 . 2 . . . . . 148 GLU HB2 . 15230 1 1686 . 1 1 149 149 GLU HB3 H 1 2.085 0.001 . 2 . . . . . 148 GLU HB3 . 15230 1 1687 . 1 1 149 149 GLU HG2 H 1 2.204 0.002 . 2 . . . . . 148 GLU HG2 . 15230 1 1688 . 1 1 149 149 GLU HG3 H 1 2.363 0.001 . 2 . . . . . 148 GLU HG3 . 15230 1 1689 . 1 1 149 149 GLU C C 13 180.732 0.000 . 1 . . . . . 148 GLU C . 15230 1 1690 . 1 1 149 149 GLU CA C 13 59.560 0.018 . 1 . . . . . 148 GLU CA . 15230 1 1691 . 1 1 149 149 GLU CB C 13 29.367 0.012 . 1 . . . . . 148 GLU CB . 15230 1 1692 . 1 1 149 149 GLU CG C 13 36.616 0.012 . 1 . . . . . 148 GLU CG . 15230 1 1693 . 1 1 149 149 GLU N N 15 116.718 0.063 . 1 . . . . . 148 GLU N . 15230 1 1694 . 1 1 150 150 GLU H H 1 7.763 0.013 . 1 . . . . . 149 GLU H . 15230 1 1695 . 1 1 150 150 GLU HA H 1 3.938 0.003 . 1 . . . . . 149 GLU HA . 15230 1 1696 . 1 1 150 150 GLU HB2 H 1 2.039 0.003 . 1 . . . . . 149 GLU HB2 . 15230 1 1697 . 1 1 150 150 GLU HB3 H 1 2.039 0.003 . 1 . . . . . 149 GLU HB3 . 15230 1 1698 . 1 1 150 150 GLU HG2 H 1 2.092 0.003 . 2 . . . . . 149 GLU HG2 . 15230 1 1699 . 1 1 150 150 GLU HG3 H 1 2.352 0.002 . 2 . . . . . 149 GLU HG3 . 15230 1 1700 . 1 1 150 150 GLU C C 13 178.955 0.000 . 1 . . . . . 149 GLU C . 15230 1 1701 . 1 1 150 150 GLU CA C 13 59.555 0.026 . 1 . . . . . 149 GLU CA . 15230 1 1702 . 1 1 150 150 GLU CB C 13 29.332 0.056 . 1 . . . . . 149 GLU CB . 15230 1 1703 . 1 1 150 150 GLU CG C 13 36.014 0.013 . 1 . . . . . 149 GLU CG . 15230 1 1704 . 1 1 150 150 GLU N N 15 122.909 0.068 . 1 . . . . . 149 GLU N . 15230 1 1705 . 1 1 151 151 TRP H H 1 7.817 0.015 . 1 . . . . . 150 TRP H . 15230 1 1706 . 1 1 151 151 TRP HA H 1 4.732 0.003 . 1 . . . . . 150 TRP HA . 15230 1 1707 . 1 1 151 151 TRP HB2 H 1 3.083 0.007 . 2 . . . . . 150 TRP HB2 . 15230 1 1708 . 1 1 151 151 TRP HB3 H 1 3.374 0.005 . 2 . . . . . 150 TRP HB3 . 15230 1 1709 . 1 1 151 151 TRP HD1 H 1 6.790 0.007 . 1 . . . . . 150 TRP HD1 . 15230 1 1710 . 1 1 151 151 TRP HE1 H 1 9.840 0.013 . 1 . . . . . 150 TRP HE1 . 15230 1 1711 . 1 1 151 151 TRP HE3 H 1 6.938 0.007 . 1 . . . . . 150 TRP HE3 . 15230 1 1712 . 1 1 151 151 TRP HH2 H 1 6.772 0.005 . 1 . . . . . 150 TRP HH2 . 15230 1 1713 . 1 1 151 151 TRP HZ2 H 1 7.057 0.004 . 1 . . . . . 150 TRP HZ2 . 15230 1 1714 . 1 1 151 151 TRP HZ3 H 1 6.614 0.007 . 1 . . . . . 150 TRP HZ3 . 15230 1 1715 . 1 1 151 151 TRP C C 13 176.607 0.000 . 1 . . . . . 150 TRP C . 15230 1 1716 . 1 1 151 151 TRP CA C 13 54.816 0.017 . 1 . . . . . 150 TRP CA . 15230 1 1717 . 1 1 151 151 TRP CB C 13 30.243 0.030 . 1 . . . . . 150 TRP CB . 15230 1 1718 . 1 1 151 151 TRP CD1 C 13 122.747 0.028 . 1 . . . . . 150 TRP CD1 . 15230 1 1719 . 1 1 151 151 TRP CE3 C 13 118.874 0.026 . 1 . . . . . 150 TRP CE3 . 15230 1 1720 . 1 1 151 151 TRP CH2 C 13 123.184 0.018 . 1 . . . . . 150 TRP CH2 . 15230 1 1721 . 1 1 151 151 TRP CZ2 C 13 113.665 0.041 . 1 . . . . . 150 TRP CZ2 . 15230 1 1722 . 1 1 151 151 TRP CZ3 C 13 120.521 0.037 . 1 . . . . . 150 TRP CZ3 . 15230 1 1723 . 1 1 151 151 TRP N N 15 118.621 0.066 . 1 . . . . . 150 TRP N . 15230 1 1724 . 1 1 151 151 TRP NE1 N 15 127.046 0.093 . 1 . . . . . 150 TRP NE1 . 15230 1 1725 . 1 1 152 152 GLY H H 1 8.260 0.013 . 1 . . . . . 151 GLY H . 15230 1 1726 . 1 1 152 152 GLY HA2 H 1 4.023 0.003 . 1 . . . . . 151 GLY HA2 . 15230 1 1727 . 1 1 152 152 GLY HA3 H 1 4.023 0.003 . 1 . . . . . 151 GLY HA3 . 15230 1 1728 . 1 1 152 152 GLY C C 13 175.170 0.000 . 1 . . . . . 151 GLY C . 15230 1 1729 . 1 1 152 152 GLY CA C 13 46.575 0.022 . 1 . . . . . 151 GLY CA . 15230 1 1730 . 1 1 152 152 GLY N N 15 111.046 0.045 . 1 . . . . . 151 GLY N . 15230 1 1731 . 1 1 153 153 VAL H H 1 8.238 0.014 . 1 . . . . . 152 VAL H . 15230 1 1732 . 1 1 153 153 VAL HA H 1 4.982 0.002 . 1 . . . . . 152 VAL HA . 15230 1 1733 . 1 1 153 153 VAL HB H 1 2.655 0.004 . 1 . . . . . 152 VAL HB . 15230 1 1734 . 1 1 153 153 VAL HG11 H 1 0.991 0.003 . 2 . . . . . 152 VAL HG11 . 15230 1 1735 . 1 1 153 153 VAL HG12 H 1 0.991 0.003 . 2 . . . . . 152 VAL HG12 . 15230 1 1736 . 1 1 153 153 VAL HG13 H 1 0.991 0.003 . 2 . . . . . 152 VAL HG13 . 15230 1 1737 . 1 1 153 153 VAL HG21 H 1 1.035 0.002 . 2 . . . . . 152 VAL HG21 . 15230 1 1738 . 1 1 153 153 VAL HG22 H 1 1.035 0.002 . 2 . . . . . 152 VAL HG22 . 15230 1 1739 . 1 1 153 153 VAL HG23 H 1 1.035 0.002 . 2 . . . . . 152 VAL HG23 . 15230 1 1740 . 1 1 153 153 VAL C C 13 174.531 0.000 . 1 . . . . . 152 VAL C . 15230 1 1741 . 1 1 153 153 VAL CA C 13 58.824 0.070 . 1 . . . . . 152 VAL CA . 15230 1 1742 . 1 1 153 153 VAL CB C 13 35.656 0.021 . 1 . . . . . 152 VAL CB . 15230 1 1743 . 1 1 153 153 VAL CG1 C 13 22.773 0.011 . 2 . . . . . 152 VAL CG1 . 15230 1 1744 . 1 1 153 153 VAL CG2 C 13 19.094 0.049 . 2 . . . . . 152 VAL CG2 . 15230 1 1745 . 1 1 153 153 VAL N N 15 112.322 0.052 . 1 . . . . . 152 VAL N . 15230 1 1746 . 1 1 154 154 GLN H H 1 8.813 0.014 . 1 . . . . . 153 GLN H . 15230 1 1747 . 1 1 154 154 GLN HA H 1 4.347 0.003 . 1 . . . . . 153 GLN HA . 15230 1 1748 . 1 1 154 154 GLN HB2 H 1 1.941 0.003 . 1 . . . . . 153 GLN HB2 . 15230 1 1749 . 1 1 154 154 GLN HB3 H 1 1.941 0.003 . 1 . . . . . 153 GLN HB3 . 15230 1 1750 . 1 1 154 154 GLN HE21 H 1 7.282 0.028 . 1 . . . . . 153 GLN HE21 . 15230 1 1751 . 1 1 154 154 GLN HE22 H 1 7.493 0.015 . 1 . . . . . 153 GLN HE22 . 15230 1 1752 . 1 1 154 154 GLN HG2 H 1 2.251 0.005 . 2 . . . . . 153 GLN HG2 . 15230 1 1753 . 1 1 154 154 GLN HG3 H 1 2.390 0.003 . 2 . . . . . 153 GLN HG3 . 15230 1 1754 . 1 1 154 154 GLN C C 13 173.875 0.000 . 1 . . . . . 153 GLN C . 15230 1 1755 . 1 1 154 154 GLN CA C 13 55.333 0.025 . 1 . . . . . 153 GLN CA . 15230 1 1756 . 1 1 154 154 GLN CB C 13 30.575 0.017 . 1 . . . . . 153 GLN CB . 15230 1 1757 . 1 1 154 154 GLN CD C 13 180.329 0.046 . 1 . . . . . 153 GLN CD . 15230 1 1758 . 1 1 154 154 GLN CG C 13 34.506 0.026 . 1 . . . . . 153 GLN CG . 15230 1 1759 . 1 1 154 154 GLN N N 15 118.921 0.038 . 1 . . . . . 153 GLN N . 15230 1 1760 . 1 1 154 154 GLN NE2 N 15 113.337 0.039 . 1 . . . . . 153 GLN NE2 . 15230 1 1761 . 1 1 155 155 TYR H H 1 8.154 0.009 . 1 . . . . . 154 TYR H . 15230 1 1762 . 1 1 155 155 TYR HA H 1 5.768 0.004 . 1 . . . . . 154 TYR HA . 15230 1 1763 . 1 1 155 155 TYR HB2 H 1 2.566 0.002 . 2 . . . . . 154 TYR HB2 . 15230 1 1764 . 1 1 155 155 TYR HB3 H 1 2.763 0.003 . 2 . . . . . 154 TYR HB3 . 15230 1 1765 . 1 1 155 155 TYR HD1 H 1 6.866 0.011 . 3 . . . . . 154 TYR HD1 . 15230 1 1766 . 1 1 155 155 TYR HD2 H 1 6.866 0.011 . 3 . . . . . 154 TYR HD2 . 15230 1 1767 . 1 1 155 155 TYR HE1 H 1 6.674 0.009 . 3 . . . . . 154 TYR HE1 . 15230 1 1768 . 1 1 155 155 TYR HE2 H 1 6.674 0.009 . 3 . . . . . 154 TYR HE2 . 15230 1 1769 . 1 1 155 155 TYR HH H 1 11.450 0.016 . 1 . . . . . 154 TYR HH . 15230 1 1770 . 1 1 155 155 TYR C C 13 175.098 0.000 . 1 . . . . . 154 TYR C . 15230 1 1771 . 1 1 155 155 TYR CA C 13 55.127 0.061 . 1 . . . . . 154 TYR CA . 15230 1 1772 . 1 1 155 155 TYR CB C 13 41.192 0.029 . 1 . . . . . 154 TYR CB . 15230 1 1773 . 1 1 155 155 TYR CD1 C 13 131.777 0.038 . 3 . . . . . 154 TYR CD1 . 15230 1 1774 . 1 1 155 155 TYR CD2 C 13 131.777 0.038 . 3 . . . . . 154 TYR CD2 . 15230 1 1775 . 1 1 155 155 TYR CE1 C 13 119.621 0.042 . 3 . . . . . 154 TYR CE1 . 15230 1 1776 . 1 1 155 155 TYR CE2 C 13 119.621 0.042 . 3 . . . . . 154 TYR CE2 . 15230 1 1777 . 1 1 155 155 TYR N N 15 120.553 0.054 . 1 . . . . . 154 TYR N . 15230 1 1778 . 1 1 156 156 VAL H H 1 8.278 0.015 . 1 . . . . . 155 VAL H . 15230 1 1779 . 1 1 156 156 VAL HA H 1 3.706 0.002 . 1 . . . . . 155 VAL HA . 15230 1 1780 . 1 1 156 156 VAL HB H 1 1.400 0.004 . 1 . . . . . 155 VAL HB . 15230 1 1781 . 1 1 156 156 VAL HG11 H 1 0.622 0.003 . 2 . . . . . 155 VAL HG11 . 15230 1 1782 . 1 1 156 156 VAL HG12 H 1 0.622 0.003 . 2 . . . . . 155 VAL HG12 . 15230 1 1783 . 1 1 156 156 VAL HG13 H 1 0.622 0.003 . 2 . . . . . 155 VAL HG13 . 15230 1 1784 . 1 1 156 156 VAL HG21 H 1 0.669 0.002 . 2 . . . . . 155 VAL HG21 . 15230 1 1785 . 1 1 156 156 VAL HG22 H 1 0.669 0.002 . 2 . . . . . 155 VAL HG22 . 15230 1 1786 . 1 1 156 156 VAL HG23 H 1 0.669 0.002 . 2 . . . . . 155 VAL HG23 . 15230 1 1787 . 1 1 156 156 VAL C C 13 173.120 0.000 . 1 . . . . . 155 VAL C . 15230 1 1788 . 1 1 156 156 VAL CA C 13 60.279 0.033 . 1 . . . . . 155 VAL CA . 15230 1 1789 . 1 1 156 156 VAL CB C 13 36.226 0.057 . 1 . . . . . 155 VAL CB . 15230 1 1790 . 1 1 156 156 VAL CG1 C 13 22.132 0.031 . 2 . . . . . 155 VAL CG1 . 15230 1 1791 . 1 1 156 156 VAL CG2 C 13 22.130 0.037 . 2 . . . . . 155 VAL CG2 . 15230 1 1792 . 1 1 156 156 VAL N N 15 129.197 0.060 . 1 . . . . . 155 VAL N . 15230 1 1793 . 1 1 157 157 GLU H H 1 8.240 0.016 . 1 . . . . . 156 GLU H . 15230 1 1794 . 1 1 157 157 GLU HA H 1 5.117 0.003 . 1 . . . . . 156 GLU HA . 15230 1 1795 . 1 1 157 157 GLU HB2 H 1 1.653 0.004 . 1 . . . . . 156 GLU HB2 . 15230 1 1796 . 1 1 157 157 GLU HB3 H 1 1.653 0.004 . 1 . . . . . 156 GLU HB3 . 15230 1 1797 . 1 1 157 157 GLU HG2 H 1 2.184 0.003 . 1 . . . . . 156 GLU HG2 . 15230 1 1798 . 1 1 157 157 GLU HG3 H 1 2.184 0.003 . 1 . . . . . 156 GLU HG3 . 15230 1 1799 . 1 1 157 157 GLU C C 13 177.190 0.000 . 1 . . . . . 156 GLU C . 15230 1 1800 . 1 1 157 157 GLU CA C 13 55.043 0.040 . 1 . . . . . 156 GLU CA . 15230 1 1801 . 1 1 157 157 GLU CB C 13 30.573 0.017 . 1 . . . . . 156 GLU CB . 15230 1 1802 . 1 1 157 157 GLU CG C 13 36.330 0.041 . 1 . . . . . 156 GLU CG . 15230 1 1803 . 1 1 157 157 GLU N N 15 122.876 0.056 . 1 . . . . . 156 GLU N . 15230 1 1804 . 1 1 158 158 THR H H 1 8.845 0.016 . 1 . . . . . 157 THR H . 15230 1 1805 . 1 1 158 158 THR HA H 1 4.797 0.010 . 1 . . . . . 157 THR HA . 15230 1 1806 . 1 1 158 158 THR HB H 1 3.871 0.003 . 1 . . . . . 157 THR HB . 15230 1 1807 . 1 1 158 158 THR HG1 H 1 4.668 0.020 . 1 . . . . . 157 THR HG1 . 15230 1 1808 . 1 1 158 158 THR HG21 H 1 0.679 0.003 . 1 . . . . . 157 THR HG21 . 15230 1 1809 . 1 1 158 158 THR HG22 H 1 0.679 0.003 . 1 . . . . . 157 THR HG22 . 15230 1 1810 . 1 1 158 158 THR HG23 H 1 0.679 0.003 . 1 . . . . . 157 THR HG23 . 15230 1 1811 . 1 1 158 158 THR C C 13 175.499 0.000 . 1 . . . . . 157 THR C . 15230 1 1812 . 1 1 158 158 THR CA C 13 59.396 0.056 . 1 . . . . . 157 THR CA . 15230 1 1813 . 1 1 158 158 THR CB C 13 73.418 0.027 . 1 . . . . . 157 THR CB . 15230 1 1814 . 1 1 158 158 THR CG2 C 13 22.694 0.078 . 1 . . . . . 157 THR CG2 . 15230 1 1815 . 1 1 158 158 THR N N 15 114.356 0.044 . 1 . . . . . 157 THR N . 15230 1 1816 . 1 1 159 159 SER H H 1 7.974 0.016 . 1 . . . . . 158 SER H . 15230 1 1817 . 1 1 159 159 SER HA H 1 4.910 0.007 . 1 . . . . . 158 SER HA . 15230 1 1818 . 1 1 159 159 SER HB2 H 1 3.960 0.009 . 1 . . . . . 158 SER HB2 . 15230 1 1819 . 1 1 159 159 SER HB3 H 1 3.960 0.009 . 1 . . . . . 158 SER HB3 . 15230 1 1820 . 1 1 159 159 SER C C 13 175.697 0.000 . 1 . . . . . 158 SER C . 15230 1 1821 . 1 1 159 159 SER CA C 13 57.263 0.020 . 1 . . . . . 158 SER CA . 15230 1 1822 . 1 1 159 159 SER CB C 13 64.322 0.080 . 1 . . . . . 158 SER CB . 15230 1 1823 . 1 1 159 159 SER N N 15 110.463 0.053 . 1 . . . . . 158 SER N . 15230 1 1824 . 1 1 160 160 ALA H H 1 9.047 0.010 . 1 . . . . . 159 ALA H . 15230 1 1825 . 1 1 160 160 ALA HA H 1 3.855 0.008 . 1 . . . . . 159 ALA HA . 15230 1 1826 . 1 1 160 160 ALA HB1 H 1 1.479 0.005 . 1 . . . . . 159 ALA HB1 . 15230 1 1827 . 1 1 160 160 ALA HB2 H 1 1.479 0.005 . 1 . . . . . 159 ALA HB2 . 15230 1 1828 . 1 1 160 160 ALA HB3 H 1 1.479 0.005 . 1 . . . . . 159 ALA HB3 . 15230 1 1829 . 1 1 160 160 ALA C C 13 175.563 0.000 . 1 . . . . . 159 ALA C . 15230 1 1830 . 1 1 160 160 ALA CA C 13 54.741 0.027 . 1 . . . . . 159 ALA CA . 15230 1 1831 . 1 1 160 160 ALA CB C 13 18.693 0.033 . 1 . . . . . 159 ALA CB . 15230 1 1832 . 1 1 160 160 ALA N N 15 132.050 0.059 . 1 . . . . . 159 ALA N . 15230 1 1833 . 1 1 161 161 LYS H H 1 6.896 0.010 . 1 . . . . . 160 LYS H . 15230 1 1834 . 1 1 161 161 LYS HA H 1 2.406 0.006 . 1 . . . . . 160 LYS HA . 15230 1 1835 . 1 1 161 161 LYS HB2 H 1 0.365 0.007 . 2 . . . . . 160 LYS HB2 . 15230 1 1836 . 1 1 161 161 LYS HB3 H 1 0.990 0.004 . 2 . . . . . 160 LYS HB3 . 15230 1 1837 . 1 1 161 161 LYS HD2 H 1 1.212 0.005 . 2 . . . . . 160 LYS HD2 . 15230 1 1838 . 1 1 161 161 LYS HD3 H 1 1.343 0.005 . 2 . . . . . 160 LYS HD3 . 15230 1 1839 . 1 1 161 161 LYS HE2 H 1 2.708 0.003 . 2 . . . . . 160 LYS HE2 . 15230 1 1840 . 1 1 161 161 LYS HE3 H 1 2.757 0.004 . 2 . . . . . 160 LYS HE3 . 15230 1 1841 . 1 1 161 161 LYS HG2 H 1 0.426 0.007 . 2 . . . . . 160 LYS HG2 . 15230 1 1842 . 1 1 161 161 LYS HG3 H 1 0.635 0.003 . 2 . . . . . 160 LYS HG3 . 15230 1 1843 . 1 1 161 161 LYS C C 13 176.986 0.000 . 1 . . . . . 160 LYS C . 15230 1 1844 . 1 1 161 161 LYS CA C 13 58.199 0.033 . 1 . . . . . 160 LYS CA . 15230 1 1845 . 1 1 161 161 LYS CB C 13 33.927 0.032 . 1 . . . . . 160 LYS CB . 15230 1 1846 . 1 1 161 161 LYS CD C 13 29.811 0.036 . 1 . . . . . 160 LYS CD . 15230 1 1847 . 1 1 161 161 LYS CE C 13 42.051 0.022 . 1 . . . . . 160 LYS CE . 15230 1 1848 . 1 1 161 161 LYS CG C 13 24.676 0.028 . 1 . . . . . 160 LYS CG . 15230 1 1849 . 1 1 161 161 LYS N N 15 115.126 0.052 . 1 . . . . . 160 LYS N . 15230 1 1850 . 1 1 162 162 THR H H 1 7.717 0.014 . 1 . . . . . 161 THR H . 15230 1 1851 . 1 1 162 162 THR HA H 1 4.077 0.004 . 1 . . . . . 161 THR HA . 15230 1 1852 . 1 1 162 162 THR HB H 1 4.366 0.003 . 1 . . . . . 161 THR HB . 15230 1 1853 . 1 1 162 162 THR HG1 H 1 5.300 0.013 . 1 . . . . . 161 THR HG1 . 15230 1 1854 . 1 1 162 162 THR HG21 H 1 0.995 0.004 . 1 . . . . . 161 THR HG21 . 15230 1 1855 . 1 1 162 162 THR HG22 H 1 0.995 0.004 . 1 . . . . . 161 THR HG22 . 15230 1 1856 . 1 1 162 162 THR HG23 H 1 0.995 0.004 . 1 . . . . . 161 THR HG23 . 15230 1 1857 . 1 1 162 162 THR C C 13 175.559 0.000 . 1 . . . . . 161 THR C . 15230 1 1858 . 1 1 162 162 THR CA C 13 61.254 0.022 . 1 . . . . . 161 THR CA . 15230 1 1859 . 1 1 162 162 THR CB C 13 69.358 0.051 . 1 . . . . . 161 THR CB . 15230 1 1860 . 1 1 162 162 THR CG2 C 13 21.187 0.043 . 1 . . . . . 161 THR CG2 . 15230 1 1861 . 1 1 162 162 THR N N 15 105.758 0.053 . 1 . . . . . 161 THR N . 15230 1 1862 . 1 1 163 163 ARG H H 1 7.664 0.020 . 1 . . . . . 162 ARG H . 15230 1 1863 . 1 1 163 163 ARG HA H 1 3.442 0.002 . 1 . . . . . 162 ARG HA . 15230 1 1864 . 1 1 163 163 ARG HB2 H 1 1.692 0.003 . 2 . . . . . 162 ARG HB2 . 15230 1 1865 . 1 1 163 163 ARG HB3 H 1 2.152 0.002 . 2 . . . . . 162 ARG HB3 . 15230 1 1866 . 1 1 163 163 ARG HD2 H 1 3.073 0.003 . 2 . . . . . 162 ARG HD2 . 15230 1 1867 . 1 1 163 163 ARG HD3 H 1 3.073 0.003 . 2 . . . . . 162 ARG HD3 . 15230 1 1868 . 1 1 163 163 ARG HE H 1 6.965 0.027 . 1 . . . . . 162 ARG HE . 15230 1 1869 . 1 1 163 163 ARG HG2 H 1 1.210 0.001 . 2 . . . . . 162 ARG HG2 . 15230 1 1870 . 1 1 163 163 ARG HG3 H 1 1.805 0.004 . 2 . . . . . 162 ARG HG3 . 15230 1 1871 . 1 1 163 163 ARG HH11 H 1 7.357 0.000 . 1 . . . . . 162 ARG HH11 . 15230 1 1872 . 1 1 163 163 ARG HH12 H 1 7.357 0.000 . 1 . . . . . 162 ARG HH12 . 15230 1 1873 . 1 1 163 163 ARG HH21 H 1 7.357 0.000 . 1 . . . . . 162 ARG HH21 . 15230 1 1874 . 1 1 163 163 ARG HH22 H 1 7.357 0.000 . 1 . . . . . 162 ARG HH22 . 15230 1 1875 . 1 1 163 163 ARG C C 13 175.775 0.000 . 1 . . . . . 162 ARG C . 15230 1 1876 . 1 1 163 163 ARG CA C 13 58.691 0.052 . 1 . . . . . 162 ARG CA . 15230 1 1877 . 1 1 163 163 ARG CB C 13 30.313 0.022 . 1 . . . . . 162 ARG CB . 15230 1 1878 . 1 1 163 163 ARG CD C 13 43.293 0.052 . 1 . . . . . 162 ARG CD . 15230 1 1879 . 1 1 163 163 ARG CG C 13 32.053 0.021 . 1 . . . . . 162 ARG CG . 15230 1 1880 . 1 1 163 163 ARG N N 15 118.305 0.073 . 1 . . . . . 162 ARG N . 15230 1 1881 . 1 1 163 163 ARG NE N 15 84.700 0.065 . 1 . . . . . 162 ARG NE . 15230 1 1882 . 1 1 164 164 ALA H H 1 7.554 0.008 . 1 . . . . . 163 ALA H . 15230 1 1883 . 1 1 164 164 ALA HA H 1 4.078 0.004 . 1 . . . . . 163 ALA HA . 15230 1 1884 . 1 1 164 164 ALA HB1 H 1 1.135 0.002 . 1 . . . . . 163 ALA HB1 . 15230 1 1885 . 1 1 164 164 ALA HB2 H 1 1.135 0.002 . 1 . . . . . 163 ALA HB2 . 15230 1 1886 . 1 1 164 164 ALA HB3 H 1 1.135 0.002 . 1 . . . . . 163 ALA HB3 . 15230 1 1887 . 1 1 164 164 ALA C C 13 177.503 0.000 . 1 . . . . . 163 ALA C . 15230 1 1888 . 1 1 164 164 ALA CA C 13 54.094 0.038 . 1 . . . . . 163 ALA CA . 15230 1 1889 . 1 1 164 164 ALA CB C 13 18.532 0.040 . 1 . . . . . 163 ALA CB . 15230 1 1890 . 1 1 164 164 ALA N N 15 126.045 0.041 . 1 . . . . . 163 ALA N . 15230 1 1891 . 1 1 165 165 ASN H H 1 8.955 0.015 . 1 . . . . . 164 ASN H . 15230 1 1892 . 1 1 165 165 ASN HA H 1 4.527 0.007 . 1 . . . . . 164 ASN HA . 15230 1 1893 . 1 1 165 165 ASN HB2 H 1 2.728 0.004 . 2 . . . . . 164 ASN HB2 . 15230 1 1894 . 1 1 165 165 ASN HB3 H 1 3.197 0.003 . 2 . . . . . 164 ASN HB3 . 15230 1 1895 . 1 1 165 165 ASN HD21 H 1 6.801 0.012 . 1 . . . . . 164 ASN HD21 . 15230 1 1896 . 1 1 165 165 ASN HD22 H 1 7.866 0.017 . 1 . . . . . 164 ASN HD22 . 15230 1 1897 . 1 1 165 165 ASN C C 13 173.868 0.000 . 1 . . . . . 164 ASN C . 15230 1 1898 . 1 1 165 165 ASN CA C 13 54.452 0.065 . 1 . . . . . 164 ASN CA . 15230 1 1899 . 1 1 165 165 ASN CB C 13 37.274 0.034 . 1 . . . . . 164 ASN CB . 15230 1 1900 . 1 1 165 165 ASN CG C 13 177.563 0.014 . 1 . . . . . 164 ASN CG . 15230 1 1901 . 1 1 165 165 ASN N N 15 115.542 0.046 . 1 . . . . . 164 ASN N . 15230 1 1902 . 1 1 165 165 ASN ND2 N 15 111.952 0.054 . 1 . . . . . 164 ASN ND2 . 15230 1 1903 . 1 1 166 166 VAL H H 1 7.383 0.010 . 1 . . . . . 165 VAL H . 15230 1 1904 . 1 1 166 166 VAL HA H 1 3.381 0.003 . 1 . . . . . 165 VAL HA . 15230 1 1905 . 1 1 166 166 VAL HB H 1 1.861 0.002 . 1 . . . . . 165 VAL HB . 15230 1 1906 . 1 1 166 166 VAL HG11 H 1 0.743 0.003 . 2 . . . . . 165 VAL HG11 . 15230 1 1907 . 1 1 166 166 VAL HG12 H 1 0.743 0.003 . 2 . . . . . 165 VAL HG12 . 15230 1 1908 . 1 1 166 166 VAL HG13 H 1 0.743 0.003 . 2 . . . . . 165 VAL HG13 . 15230 1 1909 . 1 1 166 166 VAL HG21 H 1 1.037 0.003 . 2 . . . . . 165 VAL HG21 . 15230 1 1910 . 1 1 166 166 VAL HG22 H 1 1.037 0.003 . 2 . . . . . 165 VAL HG22 . 15230 1 1911 . 1 1 166 166 VAL HG23 H 1 1.037 0.003 . 2 . . . . . 165 VAL HG23 . 15230 1 1912 . 1 1 166 166 VAL C C 13 176.169 0.000 . 1 . . . . . 165 VAL C . 15230 1 1913 . 1 1 166 166 VAL CA C 13 67.773 0.024 . 1 . . . . . 165 VAL CA . 15230 1 1914 . 1 1 166 166 VAL CB C 13 31.309 0.050 . 1 . . . . . 165 VAL CB . 15230 1 1915 . 1 1 166 166 VAL CG1 C 13 24.460 0.024 . 2 . . . . . 165 VAL CG1 . 15230 1 1916 . 1 1 166 166 VAL CG2 C 13 21.273 0.069 . 2 . . . . . 165 VAL CG2 . 15230 1 1917 . 1 1 166 166 VAL N N 15 119.830 0.054 . 1 . . . . . 165 VAL N . 15230 1 1918 . 1 1 167 167 ASP H H 1 8.076 0.013 . 1 . . . . . 166 ASP H . 15230 1 1919 . 1 1 167 167 ASP HA H 1 4.501 0.005 . 1 . . . . . 166 ASP HA . 15230 1 1920 . 1 1 167 167 ASP HB2 H 1 2.479 0.004 . 2 . . . . . 166 ASP HB2 . 15230 1 1921 . 1 1 167 167 ASP HB3 H 1 2.526 0.008 . 2 . . . . . 166 ASP HB3 . 15230 1 1922 . 1 1 167 167 ASP C C 13 177.727 0.000 . 1 . . . . . 166 ASP C . 15230 1 1923 . 1 1 167 167 ASP CA C 13 58.011 0.040 . 1 . . . . . 166 ASP CA . 15230 1 1924 . 1 1 167 167 ASP CB C 13 39.720 0.037 . 1 . . . . . 166 ASP CB . 15230 1 1925 . 1 1 167 167 ASP N N 15 116.328 0.064 . 1 . . . . . 166 ASP N . 15230 1 1926 . 1 1 168 168 LYS H H 1 7.705 0.010 . 1 . . . . . 167 LYS H . 15230 1 1927 . 1 1 168 168 LYS HA H 1 3.878 0.003 . 1 . . . . . 167 LYS HA . 15230 1 1928 . 1 1 168 168 LYS HB2 H 1 1.496 0.005 . 2 . . . . . 167 LYS HB2 . 15230 1 1929 . 1 1 168 168 LYS HB3 H 1 1.732 0.003 . 2 . . . . . 167 LYS HB3 . 15230 1 1930 . 1 1 168 168 LYS HD2 H 1 1.279 0.003 . 2 . . . . . 167 LYS HD2 . 15230 1 1931 . 1 1 168 168 LYS HD3 H 1 1.594 0.005 . 2 . . . . . 167 LYS HD3 . 15230 1 1932 . 1 1 168 168 LYS HE2 H 1 2.664 0.008 . 2 . . . . . 167 LYS HE2 . 15230 1 1933 . 1 1 168 168 LYS HE3 H 1 3.048 0.005 . 2 . . . . . 167 LYS HE3 . 15230 1 1934 . 1 1 168 168 LYS HG2 H 1 1.397 0.002 . 1 . . . . . 167 LYS HG2 . 15230 1 1935 . 1 1 168 168 LYS HG3 H 1 1.397 0.002 . 1 . . . . . 167 LYS HG3 . 15230 1 1936 . 1 1 168 168 LYS C C 13 177.758 0.000 . 1 . . . . . 167 LYS C . 15230 1 1937 . 1 1 168 168 LYS CA C 13 59.878 0.029 . 1 . . . . . 167 LYS CA . 15230 1 1938 . 1 1 168 168 LYS CB C 13 32.599 0.075 . 1 . . . . . 167 LYS CB . 15230 1 1939 . 1 1 168 168 LYS CD C 13 29.541 0.013 . 1 . . . . . 167 LYS CD . 15230 1 1940 . 1 1 168 168 LYS CE C 13 42.439 0.050 . 1 . . . . . 167 LYS CE . 15230 1 1941 . 1 1 168 168 LYS CG C 13 24.813 0.013 . 1 . . . . . 167 LYS CG . 15230 1 1942 . 1 1 168 168 LYS N N 15 117.222 0.049 . 1 . . . . . 167 LYS N . 15230 1 1943 . 1 1 169 169 VAL H H 1 7.362 0.013 . 1 . . . . . 168 VAL H . 15230 1 1944 . 1 1 169 169 VAL HA H 1 3.669 0.003 . 1 . . . . . 168 VAL HA . 15230 1 1945 . 1 1 169 169 VAL HB H 1 1.686 0.003 . 1 . . . . . 168 VAL HB . 15230 1 1946 . 1 1 169 169 VAL HG11 H 1 0.643 0.004 . 2 . . . . . 168 VAL HG11 . 15230 1 1947 . 1 1 169 169 VAL HG12 H 1 0.643 0.004 . 2 . . . . . 168 VAL HG12 . 15230 1 1948 . 1 1 169 169 VAL HG13 H 1 0.643 0.004 . 2 . . . . . 168 VAL HG13 . 15230 1 1949 . 1 1 169 169 VAL HG21 H 1 0.699 0.008 . 2 . . . . . 168 VAL HG21 . 15230 1 1950 . 1 1 169 169 VAL HG22 H 1 0.699 0.008 . 2 . . . . . 168 VAL HG22 . 15230 1 1951 . 1 1 169 169 VAL HG23 H 1 0.699 0.008 . 2 . . . . . 168 VAL HG23 . 15230 1 1952 . 1 1 169 169 VAL C C 13 176.718 0.000 . 1 . . . . . 168 VAL C . 15230 1 1953 . 1 1 169 169 VAL CA C 13 65.978 0.040 . 1 . . . . . 168 VAL CA . 15230 1 1954 . 1 1 169 169 VAL CB C 13 30.380 0.031 . 1 . . . . . 168 VAL CB . 15230 1 1955 . 1 1 169 169 VAL CG1 C 13 18.727 0.050 . 2 . . . . . 168 VAL CG1 . 15230 1 1956 . 1 1 169 169 VAL CG2 C 13 18.774 0.033 . 2 . . . . . 168 VAL CG2 . 15230 1 1957 . 1 1 169 169 VAL N N 15 109.425 0.047 . 1 . . . . . 168 VAL N . 15230 1 1958 . 1 1 170 170 PHE H H 1 6.682 0.013 . 1 . . . . . 169 PHE H . 15230 1 1959 . 1 1 170 170 PHE HA H 1 3.696 0.003 . 1 . . . . . 169 PHE HA . 15230 1 1960 . 1 1 170 170 PHE HB2 H 1 1.888 0.002 . 2 . . . . . 169 PHE HB2 . 15230 1 1961 . 1 1 170 170 PHE HB3 H 1 2.110 0.002 . 2 . . . . . 169 PHE HB3 . 15230 1 1962 . 1 1 170 170 PHE HD1 H 1 6.771 0.006 . 3 . . . . . 169 PHE HD1 . 15230 1 1963 . 1 1 170 170 PHE HD2 H 1 6.771 0.006 . 3 . . . . . 169 PHE HD2 . 15230 1 1964 . 1 1 170 170 PHE HE1 H 1 6.700 0.003 . 3 . . . . . 169 PHE HE1 . 15230 1 1965 . 1 1 170 170 PHE HE2 H 1 6.700 0.003 . 3 . . . . . 169 PHE HE2 . 15230 1 1966 . 1 1 170 170 PHE C C 13 178.291 0.000 . 1 . . . . . 169 PHE C . 15230 1 1967 . 1 1 170 170 PHE CA C 13 63.201 0.018 . 1 . . . . . 169 PHE CA . 15230 1 1968 . 1 1 170 170 PHE CB C 13 39.473 0.017 . 1 . . . . . 169 PHE CB . 15230 1 1969 . 1 1 170 170 PHE CD1 C 13 130.990 0.019 . 3 . . . . . 169 PHE CD1 . 15230 1 1970 . 1 1 170 170 PHE CD2 C 13 130.990 0.019 . 3 . . . . . 169 PHE CD2 . 15230 1 1971 . 1 1 170 170 PHE CE1 C 13 128.389 0.036 . 3 . . . . . 169 PHE CE1 . 15230 1 1972 . 1 1 170 170 PHE CE2 C 13 128.389 0.036 . 3 . . . . . 169 PHE CE2 . 15230 1 1973 . 1 1 170 170 PHE N N 15 116.620 0.056 . 1 . . . . . 169 PHE N . 15230 1 1974 . 1 1 171 171 PHE H H 1 8.939 0.011 . 1 . . . . . 170 PHE H . 15230 1 1975 . 1 1 171 171 PHE HA H 1 4.095 0.004 . 1 . . . . . 170 PHE HA . 15230 1 1976 . 1 1 171 171 PHE HB2 H 1 2.871 0.003 . 2 . . . . . 170 PHE HB2 . 15230 1 1977 . 1 1 171 171 PHE HB3 H 1 3.227 0.003 . 2 . . . . . 170 PHE HB3 . 15230 1 1978 . 1 1 171 171 PHE HD1 H 1 7.406 0.003 . 3 . . . . . 170 PHE HD1 . 15230 1 1979 . 1 1 171 171 PHE HD2 H 1 7.406 0.003 . 3 . . . . . 170 PHE HD2 . 15230 1 1980 . 1 1 171 171 PHE HE1 H 1 7.442 0.004 . 3 . . . . . 170 PHE HE1 . 15230 1 1981 . 1 1 171 171 PHE HE2 H 1 7.442 0.004 . 3 . . . . . 170 PHE HE2 . 15230 1 1982 . 1 1 171 171 PHE HZ H 1 7.302 0.001 . 1 . . . . . 170 PHE HZ . 15230 1 1983 . 1 1 171 171 PHE C C 13 178.215 0.000 . 1 . . . . . 170 PHE C . 15230 1 1984 . 1 1 171 171 PHE CA C 13 61.640 0.023 . 1 . . . . . 170 PHE CA . 15230 1 1985 . 1 1 171 171 PHE CB C 13 37.957 0.013 . 1 . . . . . 170 PHE CB . 15230 1 1986 . 1 1 171 171 PHE CD1 C 13 131.089 0.025 . 3 . . . . . 170 PHE CD1 . 15230 1 1987 . 1 1 171 171 PHE CD2 C 13 131.089 0.025 . 3 . . . . . 170 PHE CD2 . 15230 1 1988 . 1 1 171 171 PHE CE1 C 13 131.086 0.049 . 3 . . . . . 170 PHE CE1 . 15230 1 1989 . 1 1 171 171 PHE CE2 C 13 131.086 0.049 . 3 . . . . . 170 PHE CE2 . 15230 1 1990 . 1 1 171 171 PHE CZ C 13 129.765 0.005 . 1 . . . . . 170 PHE CZ . 15230 1 1991 . 1 1 171 171 PHE N N 15 118.961 0.033 . 1 . . . . . 170 PHE N . 15230 1 1992 . 1 1 172 172 ASP H H 1 9.428 0.011 . 1 . . . . . 171 ASP H . 15230 1 1993 . 1 1 172 172 ASP HA H 1 4.377 0.004 . 1 . . . . . 171 ASP HA . 15230 1 1994 . 1 1 172 172 ASP HB2 H 1 2.367 0.006 . 2 . . . . . 171 ASP HB2 . 15230 1 1995 . 1 1 172 172 ASP HB3 H 1 2.716 0.004 . 2 . . . . . 171 ASP HB3 . 15230 1 1996 . 1 1 172 172 ASP C C 13 180.509 0.000 . 1 . . . . . 171 ASP C . 15230 1 1997 . 1 1 172 172 ASP CA C 13 57.740 0.028 . 1 . . . . . 171 ASP CA . 15230 1 1998 . 1 1 172 172 ASP CB C 13 38.852 0.048 . 1 . . . . . 171 ASP CB . 15230 1 1999 . 1 1 172 172 ASP N N 15 119.712 0.035 . 1 . . . . . 171 ASP N . 15230 1 2000 . 1 1 173 173 LEU H H 1 7.523 0.011 . 1 . . . . . 172 LEU H . 15230 1 2001 . 1 1 173 173 LEU HA H 1 3.955 0.004 . 1 . . . . . 172 LEU HA . 15230 1 2002 . 1 1 173 173 LEU HB2 H 1 1.390 0.002 . 2 . . . . . 172 LEU HB2 . 15230 1 2003 . 1 1 173 173 LEU HB3 H 1 1.662 0.003 . 2 . . . . . 172 LEU HB3 . 15230 1 2004 . 1 1 173 173 LEU HD11 H 1 0.562 0.004 . 2 . . . . . 172 LEU HD11 . 15230 1 2005 . 1 1 173 173 LEU HD12 H 1 0.562 0.004 . 2 . . . . . 172 LEU HD12 . 15230 1 2006 . 1 1 173 173 LEU HD13 H 1 0.562 0.004 . 2 . . . . . 172 LEU HD13 . 15230 1 2007 . 1 1 173 173 LEU HD21 H 1 0.639 0.003 . 2 . . . . . 172 LEU HD21 . 15230 1 2008 . 1 1 173 173 LEU HD22 H 1 0.639 0.003 . 2 . . . . . 172 LEU HD22 . 15230 1 2009 . 1 1 173 173 LEU HD23 H 1 0.639 0.003 . 2 . . . . . 172 LEU HD23 . 15230 1 2010 . 1 1 173 173 LEU HG H 1 1.230 0.004 . 1 . . . . . 172 LEU HG . 15230 1 2011 . 1 1 173 173 LEU C C 13 179.016 0.000 . 1 . . . . . 172 LEU C . 15230 1 2012 . 1 1 173 173 LEU CA C 13 57.892 0.057 . 1 . . . . . 172 LEU CA . 15230 1 2013 . 1 1 173 173 LEU CB C 13 41.166 0.014 . 1 . . . . . 172 LEU CB . 15230 1 2014 . 1 1 173 173 LEU CD1 C 13 28.195 0.021 . 2 . . . . . 172 LEU CD1 . 15230 1 2015 . 1 1 173 173 LEU CD2 C 13 22.396 0.056 . 2 . . . . . 172 LEU CD2 . 15230 1 2016 . 1 1 173 173 LEU CG C 13 26.522 0.073 . 1 . . . . . 172 LEU CG . 15230 1 2017 . 1 1 173 173 LEU N N 15 120.002 0.037 . 1 . . . . . 172 LEU N . 15230 1 2018 . 1 1 174 174 MET H H 1 8.173 0.014 . 1 . . . . . 173 MET H . 15230 1 2019 . 1 1 174 174 MET HA H 1 3.359 0.003 . 1 . . . . . 173 MET HA . 15230 1 2020 . 1 1 174 174 MET HB2 H 1 1.614 0.006 . 2 . . . . . 173 MET HB2 . 15230 1 2021 . 1 1 174 174 MET HB3 H 1 2.409 0.003 . 2 . . . . . 173 MET HB3 . 15230 1 2022 . 1 1 174 174 MET HE1 H 1 1.540 0.005 . 1 . . . . . 173 MET HE1 . 15230 1 2023 . 1 1 174 174 MET HE2 H 1 1.540 0.005 . 1 . . . . . 173 MET HE2 . 15230 1 2024 . 1 1 174 174 MET HE3 H 1 1.540 0.005 . 1 . . . . . 173 MET HE3 . 15230 1 2025 . 1 1 174 174 MET HG2 H 1 1.840 0.003 . 2 . . . . . 173 MET HG2 . 15230 1 2026 . 1 1 174 174 MET HG3 H 1 2.809 0.002 . 2 . . . . . 173 MET HG3 . 15230 1 2027 . 1 1 174 174 MET C C 13 177.786 0.000 . 1 . . . . . 173 MET C . 15230 1 2028 . 1 1 174 174 MET CA C 13 61.196 0.036 . 1 . . . . . 173 MET CA . 15230 1 2029 . 1 1 174 174 MET CB C 13 35.406 0.076 . 1 . . . . . 173 MET CB . 15230 1 2030 . 1 1 174 174 MET CE C 13 17.548 0.070 . 1 . . . . . 173 MET CE . 15230 1 2031 . 1 1 174 174 MET CG C 13 33.498 0.025 . 1 . . . . . 173 MET CG . 15230 1 2032 . 1 1 174 174 MET N N 15 117.110 0.073 . 1 . . . . . 173 MET N . 15230 1 2033 . 1 1 175 175 ARG H H 1 8.239 0.014 . 1 . . . . . 174 ARG H . 15230 1 2034 . 1 1 175 175 ARG HA H 1 3.658 0.004 . 1 . . . . . 174 ARG HA . 15230 1 2035 . 1 1 175 175 ARG HB2 H 1 1.788 0.001 . 2 . . . . . 174 ARG HB2 . 15230 1 2036 . 1 1 175 175 ARG HB3 H 1 1.893 0.001 . 2 . . . . . 174 ARG HB3 . 15230 1 2037 . 1 1 175 175 ARG HD2 H 1 3.106 0.004 . 1 . . . . . 174 ARG HD2 . 15230 1 2038 . 1 1 175 175 ARG HD3 H 1 3.106 0.004 . 1 . . . . . 174 ARG HD3 . 15230 1 2039 . 1 1 175 175 ARG HE H 1 9.091 0.019 . 1 . . . . . 174 ARG HE . 15230 1 2040 . 1 1 175 175 ARG HG2 H 1 1.332 0.004 . 2 . . . . . 174 ARG HG2 . 15230 1 2041 . 1 1 175 175 ARG HG3 H 1 2.091 0.003 . 2 . . . . . 174 ARG HG3 . 15230 1 2042 . 1 1 175 175 ARG C C 13 179.010 0.000 . 1 . . . . . 174 ARG C . 15230 1 2043 . 1 1 175 175 ARG CA C 13 61.157 0.066 . 1 . . . . . 174 ARG CA . 15230 1 2044 . 1 1 175 175 ARG CB C 13 29.331 0.016 . 1 . . . . . 174 ARG CB . 15230 1 2045 . 1 1 175 175 ARG CD C 13 43.262 0.019 . 1 . . . . . 174 ARG CD . 15230 1 2046 . 1 1 175 175 ARG CG C 13 30.665 0.024 . 1 . . . . . 174 ARG CG . 15230 1 2047 . 1 1 175 175 ARG N N 15 117.288 0.065 . 1 . . . . . 174 ARG N . 15230 1 2048 . 1 1 175 175 ARG NE N 15 87.508 0.045 . 1 . . . . . 174 ARG NE . 15230 1 2049 . 1 1 176 176 GLU H H 1 7.577 0.013 . 1 . . . . . 175 GLU H . 15230 1 2050 . 1 1 176 176 GLU HA H 1 4.069 0.003 . 1 . . . . . 175 GLU HA . 15230 1 2051 . 1 1 176 176 GLU HB2 H 1 2.104 0.003 . 1 . . . . . 175 GLU HB2 . 15230 1 2052 . 1 1 176 176 GLU HB3 H 1 2.104 0.003 . 1 . . . . . 175 GLU HB3 . 15230 1 2053 . 1 1 176 176 GLU HG2 H 1 2.262 0.002 . 2 . . . . . 175 GLU HG2 . 15230 1 2054 . 1 1 176 176 GLU HG3 H 1 2.364 0.003 . 2 . . . . . 175 GLU HG3 . 15230 1 2055 . 1 1 176 176 GLU C C 13 179.962 0.000 . 1 . . . . . 175 GLU C . 15230 1 2056 . 1 1 176 176 GLU CA C 13 59.927 0.028 . 1 . . . . . 175 GLU CA . 15230 1 2057 . 1 1 176 176 GLU CB C 13 30.038 0.019 . 1 . . . . . 175 GLU CB . 15230 1 2058 . 1 1 176 176 GLU CG C 13 36.243 0.152 . 1 . . . . . 175 GLU CG . 15230 1 2059 . 1 1 176 176 GLU N N 15 120.154 0.046 . 1 . . . . . 175 GLU N . 15230 1 2060 . 1 1 177 177 ILE H H 1 8.259 0.015 . 1 . . . . . 176 ILE H . 15230 1 2061 . 1 1 177 177 ILE HA H 1 3.407 0.003 . 1 . . . . . 176 ILE HA . 15230 1 2062 . 1 1 177 177 ILE HB H 1 1.406 0.005 . 1 . . . . . 176 ILE HB . 15230 1 2063 . 1 1 177 177 ILE HD11 H 1 0.490 0.004 . 1 . . . . . 176 ILE HD11 . 15230 1 2064 . 1 1 177 177 ILE HD12 H 1 0.490 0.004 . 1 . . . . . 176 ILE HD12 . 15230 1 2065 . 1 1 177 177 ILE HD13 H 1 0.490 0.004 . 1 . . . . . 176 ILE HD13 . 15230 1 2066 . 1 1 177 177 ILE HG12 H 1 0.658 0.011 . 2 . . . . . 176 ILE HG12 . 15230 1 2067 . 1 1 177 177 ILE HG13 H 1 1.659 0.005 . 2 . . . . . 176 ILE HG13 . 15230 1 2068 . 1 1 177 177 ILE HG21 H 1 0.865 0.005 . 1 . . . . . 176 ILE HG21 . 15230 1 2069 . 1 1 177 177 ILE HG22 H 1 0.865 0.005 . 1 . . . . . 176 ILE HG22 . 15230 1 2070 . 1 1 177 177 ILE HG23 H 1 0.865 0.005 . 1 . . . . . 176 ILE HG23 . 15230 1 2071 . 1 1 177 177 ILE C C 13 177.270 0.000 . 1 . . . . . 176 ILE C . 15230 1 2072 . 1 1 177 177 ILE CA C 13 66.143 0.012 . 1 . . . . . 176 ILE CA . 15230 1 2073 . 1 1 177 177 ILE CB C 13 38.223 0.022 . 1 . . . . . 176 ILE CB . 15230 1 2074 . 1 1 177 177 ILE CD1 C 13 15.212 0.039 . 1 . . . . . 176 ILE CD1 . 15230 1 2075 . 1 1 177 177 ILE CG1 C 13 27.683 0.101 . 1 . . . . . 176 ILE CG1 . 15230 1 2076 . 1 1 177 177 ILE CG2 C 13 19.421 0.086 . 1 . . . . . 176 ILE CG2 . 15230 1 2077 . 1 1 177 177 ILE N N 15 121.369 0.049 . 1 . . . . . 176 ILE N . 15230 1 2078 . 1 1 178 178 ARG H H 1 8.615 0.009 . 1 . . . . . 177 ARG H . 15230 1 2079 . 1 1 178 178 ARG HA H 1 3.656 0.002 . 1 . . . . . 177 ARG HA . 15230 1 2080 . 1 1 178 178 ARG HB2 H 1 1.585 0.004 . 2 . . . . . 177 ARG HB2 . 15230 1 2081 . 1 1 178 178 ARG HB3 H 1 2.072 0.003 . 2 . . . . . 177 ARG HB3 . 15230 1 2082 . 1 1 178 178 ARG HD2 H 1 3.033 0.005 . 2 . . . . . 177 ARG HD2 . 15230 1 2083 . 1 1 178 178 ARG HD3 H 1 3.296 0.003 . 2 . . . . . 177 ARG HD3 . 15230 1 2084 . 1 1 178 178 ARG HG2 H 1 1.423 0.003 . 2 . . . . . 177 ARG HG2 . 15230 1 2085 . 1 1 178 178 ARG HG3 H 1 1.835 0.005 . 2 . . . . . 177 ARG HG3 . 15230 1 2086 . 1 1 178 178 ARG C C 13 177.967 0.000 . 1 . . . . . 177 ARG C . 15230 1 2087 . 1 1 178 178 ARG CA C 13 60.185 0.037 . 1 . . . . . 177 ARG CA . 15230 1 2088 . 1 1 178 178 ARG CB C 13 30.312 0.043 . 1 . . . . . 177 ARG CB . 15230 1 2089 . 1 1 178 178 ARG CD C 13 43.838 0.011 . 1 . . . . . 177 ARG CD . 15230 1 2090 . 1 1 178 178 ARG CG C 13 26.447 0.019 . 1 . . . . . 177 ARG CG . 15230 1 2091 . 1 1 178 178 ARG N N 15 120.552 0.048 . 1 . . . . . 177 ARG N . 15230 1 2092 . 1 1 179 179 THR H H 1 8.198 0.016 . 1 . . . . . 178 THR H . 15230 1 2093 . 1 1 179 179 THR HA H 1 3.807 0.004 . 1 . . . . . 178 THR HA . 15230 1 2094 . 1 1 179 179 THR HB H 1 4.224 0.003 . 1 . . . . . 178 THR HB . 15230 1 2095 . 1 1 179 179 THR HG21 H 1 1.190 0.003 . 1 . . . . . 178 THR HG21 . 15230 1 2096 . 1 1 179 179 THR HG22 H 1 1.190 0.003 . 1 . . . . . 178 THR HG22 . 15230 1 2097 . 1 1 179 179 THR HG23 H 1 1.190 0.003 . 1 . . . . . 178 THR HG23 . 15230 1 2098 . 1 1 179 179 THR C C 13 176.513 0.000 . 1 . . . . . 178 THR C . 15230 1 2099 . 1 1 179 179 THR CA C 13 66.896 0.029 . 1 . . . . . 178 THR CA . 15230 1 2100 . 1 1 179 179 THR CB C 13 68.674 0.022 . 1 . . . . . 178 THR CB . 15230 1 2101 . 1 1 179 179 THR CG2 C 13 21.683 0.016 . 1 . . . . . 178 THR CG2 . 15230 1 2102 . 1 1 179 179 THR N N 15 115.261 0.047 . 1 . . . . . 178 THR N . 15230 1 2103 . 1 1 180 180 LYS H H 1 7.697 0.008 . 1 . . . . . 179 LYS H . 15230 1 2104 . 1 1 180 180 LYS HA H 1 4.020 0.005 . 1 . . . . . 179 LYS HA . 15230 1 2105 . 1 1 180 180 LYS HB2 H 1 1.881 0.008 . 2 . . . . . 179 LYS HB2 . 15230 1 2106 . 1 1 180 180 LYS HB3 H 1 2.104 0.002 . 2 . . . . . 179 LYS HB3 . 15230 1 2107 . 1 1 180 180 LYS HD2 H 1 1.660 0.001 . 1 . . . . . 179 LYS HD2 . 15230 1 2108 . 1 1 180 180 LYS HD3 H 1 1.660 0.001 . 1 . . . . . 179 LYS HD3 . 15230 1 2109 . 1 1 180 180 LYS HE2 H 1 3.104 0.004 . 1 . . . . . 179 LYS HE2 . 15230 1 2110 . 1 1 180 180 LYS HE3 H 1 3.104 0.004 . 1 . . . . . 179 LYS HE3 . 15230 1 2111 . 1 1 180 180 LYS HG2 H 1 1.385 0.003 . 2 . . . . . 179 LYS HG2 . 15230 1 2112 . 1 1 180 180 LYS HG3 H 1 1.485 0.002 . 2 . . . . . 179 LYS HG3 . 15230 1 2113 . 1 1 180 180 LYS C C 13 179.307 0.000 . 1 . . . . . 179 LYS C . 15230 1 2114 . 1 1 180 180 LYS CA C 13 59.629 0.051 . 1 . . . . . 179 LYS CA . 15230 1 2115 . 1 1 180 180 LYS CB C 13 32.362 0.064 . 1 . . . . . 179 LYS CB . 15230 1 2116 . 1 1 180 180 LYS CD C 13 29.979 0.018 . 1 . . . . . 179 LYS CD . 15230 1 2117 . 1 1 180 180 LYS CE C 13 42.673 0.029 . 1 . . . . . 179 LYS CE . 15230 1 2118 . 1 1 180 180 LYS CG C 13 24.819 0.012 . 1 . . . . . 179 LYS CG . 15230 1 2119 . 1 1 180 180 LYS N N 15 123.447 0.034 . 1 . . . . . 179 LYS N . 15230 1 2120 . 1 1 181 181 LYS H H 1 8.454 0.011 . 1 . . . . . 180 LYS H . 15230 1 2121 . 1 1 181 181 LYS HA H 1 3.992 0.002 . 1 . . . . . 180 LYS HA . 15230 1 2122 . 1 1 181 181 LYS HB2 H 1 1.842 0.004 . 1 . . . . . 180 LYS HB2 . 15230 1 2123 . 1 1 181 181 LYS HB3 H 1 1.842 0.004 . 1 . . . . . 180 LYS HB3 . 15230 1 2124 . 1 1 181 181 LYS HE2 H 1 2.533 0.003 . 2 . . . . . 180 LYS HE2 . 15230 1 2125 . 1 1 181 181 LYS HE3 H 1 2.851 0.002 . 2 . . . . . 180 LYS HE3 . 15230 1 2126 . 1 1 181 181 LYS C C 13 179.397 0.000 . 1 . . . . . 180 LYS C . 15230 1 2127 . 1 1 181 181 LYS CA C 13 59.886 0.038 . 1 . . . . . 180 LYS CA . 15230 1 2128 . 1 1 181 181 LYS CB C 13 33.638 0.012 . 1 . . . . . 180 LYS CB . 15230 1 2129 . 1 1 181 181 LYS CE C 13 41.980 0.025 . 1 . . . . . 180 LYS CE . 15230 1 2130 . 1 1 181 181 LYS N N 15 119.357 0.051 . 1 . . . . . 180 LYS N . 15230 1 2131 . 1 1 182 182 MET H H 1 8.268 0.021 . 1 . . . . . 181 MET H . 15230 1 2132 . 1 1 182 182 MET HA H 1 4.280 0.004 . 1 . . . . . 181 MET HA . 15230 1 2133 . 1 1 182 182 MET HB2 H 1 2.134 0.022 . 2 . . . . . 181 MET HB2 . 15230 1 2134 . 1 1 182 182 MET HB3 H 1 2.203 0.006 . 2 . . . . . 181 MET HB3 . 15230 1 2135 . 1 1 182 182 MET HE1 H 1 2.075 0.001 . 1 . . . . . 181 MET HE1 . 15230 1 2136 . 1 1 182 182 MET HE2 H 1 2.075 0.001 . 1 . . . . . 181 MET HE2 . 15230 1 2137 . 1 1 182 182 MET HE3 H 1 2.075 0.001 . 1 . . . . . 181 MET HE3 . 15230 1 2138 . 1 1 182 182 MET HG2 H 1 2.606 0.003 . 2 . . . . . 181 MET HG2 . 15230 1 2139 . 1 1 182 182 MET HG3 H 1 2.779 0.003 . 2 . . . . . 181 MET HG3 . 15230 1 2140 . 1 1 182 182 MET C C 13 177.759 0.000 . 1 . . . . . 181 MET C . 15230 1 2141 . 1 1 182 182 MET CA C 13 57.488 0.027 . 1 . . . . . 181 MET CA . 15230 1 2142 . 1 1 182 182 MET CB C 13 32.745 0.055 . 1 . . . . . 181 MET CB . 15230 1 2143 . 1 1 182 182 MET CE C 13 16.605 0.025 . 1 . . . . . 181 MET CE . 15230 1 2144 . 1 1 182 182 MET CG C 13 32.464 0.062 . 1 . . . . . 181 MET CG . 15230 1 2145 . 1 1 182 182 MET N N 15 116.843 0.063 . 1 . . . . . 181 MET N . 15230 1 2146 . 1 1 183 183 SER H H 1 7.755 0.011 . 1 . . . . . 182 SER H . 15230 1 2147 . 1 1 183 183 SER HA H 1 4.383 0.001 . 1 . . . . . 182 SER HA . 15230 1 2148 . 1 1 183 183 SER HB2 H 1 4.001 0.004 . 2 . . . . . 182 SER HB2 . 15230 1 2149 . 1 1 183 183 SER HB3 H 1 4.001 0.003 . 2 . . . . . 182 SER HB3 . 15230 1 2150 . 1 1 183 183 SER C C 13 174.795 0.000 . 1 . . . . . 182 SER C . 15230 1 2151 . 1 1 183 183 SER CA C 13 59.793 0.038 . 1 . . . . . 182 SER CA . 15230 1 2152 . 1 1 183 183 SER CB C 13 63.859 0.033 . 1 . . . . . 182 SER CB . 15230 1 2153 . 1 1 183 183 SER N N 15 114.112 0.035 . 1 . . . . . 182 SER N . 15230 1 2154 . 1 1 184 184 GLU H H 1 7.720 0.008 . 1 . . . . . 183 GLU H . 15230 1 2155 . 1 1 184 184 GLU HA H 1 4.271 0.002 . 1 . . . . . 183 GLU HA . 15230 1 2156 . 1 1 184 184 GLU HB2 H 1 2.010 0.002 . 2 . . . . . 183 GLU HB2 . 15230 1 2157 . 1 1 184 184 GLU HB3 H 1 2.011 0.002 . 2 . . . . . 183 GLU HB3 . 15230 1 2158 . 1 1 184 184 GLU HG2 H 1 2.203 0.003 . 2 . . . . . 183 GLU HG2 . 15230 1 2159 . 1 1 184 184 GLU HG3 H 1 2.408 0.003 . 2 . . . . . 183 GLU HG3 . 15230 1 2160 . 1 1 184 184 GLU C C 13 176.247 0.000 . 1 . . . . . 183 GLU C . 15230 1 2161 . 1 1 184 184 GLU CA C 13 56.843 0.012 . 1 . . . . . 183 GLU CA . 15230 1 2162 . 1 1 184 184 GLU CB C 13 30.273 0.002 . 1 . . . . . 183 GLU CB . 15230 1 2163 . 1 1 184 184 GLU CG C 13 36.316 0.017 . 1 . . . . . 183 GLU CG . 15230 1 2164 . 1 1 184 184 GLU N N 15 120.608 0.033 . 1 . . . . . 183 GLU N . 15230 1 2165 . 1 1 185 185 ASN H H 1 8.129 0.012 . 1 . . . . . 184 ASN H . 15230 1 2166 . 1 1 185 185 ASN HA H 1 4.708 0.004 . 1 . . . . . 184 ASN HA . 15230 1 2167 . 1 1 185 185 ASN HB2 H 1 2.699 0.005 . 2 . . . . . 184 ASN HB2 . 15230 1 2168 . 1 1 185 185 ASN HB3 H 1 2.848 0.002 . 2 . . . . . 184 ASN HB3 . 15230 1 2169 . 1 1 185 185 ASN HD21 H 1 6.893 0.008 . 1 . . . . . 184 ASN HD21 . 15230 1 2170 . 1 1 185 185 ASN HD22 H 1 7.565 0.024 . 1 . . . . . 184 ASN HD22 . 15230 1 2171 . 1 1 185 185 ASN C C 13 174.042 0.000 . 1 . . . . . 184 ASN C . 15230 1 2172 . 1 1 185 185 ASN CA C 13 53.455 0.034 . 1 . . . . . 184 ASN CA . 15230 1 2173 . 1 1 185 185 ASN CB C 13 38.860 0.040 . 1 . . . . . 184 ASN CB . 15230 1 2174 . 1 1 185 185 ASN CG C 13 177.429 0.030 . 1 . . . . . 184 ASN CG . 15230 1 2175 . 1 1 185 185 ASN N N 15 119.109 0.059 . 1 . . . . . 184 ASN N . 15230 1 2176 . 1 1 185 185 ASN ND2 N 15 112.551 0.042 . 1 . . . . . 184 ASN ND2 . 15230 1 2177 . 1 1 186 186 LYS H H 1 7.803 0.010 . 1 . . . . . 185 LYS H . 15230 1 2178 . 1 1 186 186 LYS HA H 1 4.125 0.002 . 1 . . . . . 185 LYS HA . 15230 1 2179 . 1 1 186 186 LYS HB2 H 1 1.677 0.002 . 2 . . . . . 185 LYS HB2 . 15230 1 2180 . 1 1 186 186 LYS HB3 H 1 1.803 0.002 . 2 . . . . . 185 LYS HB3 . 15230 1 2181 . 1 1 186 186 LYS HD2 H 1 1.642 0.002 . 1 . . . . . 185 LYS HD2 . 15230 1 2182 . 1 1 186 186 LYS HD3 H 1 1.642 0.002 . 1 . . . . . 185 LYS HD3 . 15230 1 2183 . 1 1 186 186 LYS HE2 H 1 2.964 0.002 . 2 . . . . . 185 LYS HE2 . 15230 1 2184 . 1 1 186 186 LYS HE3 H 1 2.965 0.002 . 2 . . . . . 185 LYS HE3 . 15230 1 2185 . 1 1 186 186 LYS HG2 H 1 1.355 0.002 . 1 . . . . . 185 LYS HG2 . 15230 1 2186 . 1 1 186 186 LYS HG3 H 1 1.355 0.002 . 1 . . . . . 185 LYS HG3 . 15230 1 2187 . 1 1 186 186 LYS CA C 13 57.802 0.008 . 1 . . . . . 185 LYS CA . 15230 1 2188 . 1 1 186 186 LYS CB C 13 33.850 0.023 . 1 . . . . . 185 LYS CB . 15230 1 2189 . 1 1 186 186 LYS CD C 13 29.151 0.011 . 1 . . . . . 185 LYS CD . 15230 1 2190 . 1 1 186 186 LYS CE C 13 42.360 0.015 . 1 . . . . . 185 LYS CE . 15230 1 2191 . 1 1 186 186 LYS CG C 13 24.835 0.016 . 1 . . . . . 185 LYS CG . 15230 1 2192 . 1 1 186 186 LYS N N 15 126.179 0.039 . 1 . . . . . 185 LYS N . 15230 1 2193 . 2 2 1 1 GNP H1' H 1 6.016 0.001 . 1 . . . . . . GNP H1' . 15230 1 2194 . 2 2 1 1 GNP H1 H 1 13.055 0.009 . 1 . . . . . . GNP H1 . 15230 1 2195 . 2 2 1 1 GNP H21 H 1 6.351 0.016 . 1 . . . . . . GNP H21 . 15230 1 2196 . 2 2 1 1 GNP H22 H 1 6.351 0.016 . 1 . . . . . . GNP H22 . 15230 1 2197 . 2 2 1 1 GNP H8 H 1 7.920 0.016 . 1 . . . . . . GNP H8 . 15230 1 stop_ save_ ############################## # Heteronuclear NOE values # ############################## save_heteronuclear_noe_list_1 _Heteronucl_NOE_list.Sf_category heteronucl_NOEs _Heteronucl_NOE_list.Sf_framecode heteronuclear_noe_list_1 _Heteronucl_NOE_list.Entry_ID 15230 _Heteronucl_NOE_list.ID 1 _Heteronucl_NOE_list.Sample_condition_list_ID 1 _Heteronucl_NOE_list.Sample_condition_list_label $sample_conditions_1 _Heteronucl_NOE_list.Spectrometer_frequency_1H 500 _Heteronucl_NOE_list.Heteronuclear_NOE_val_type 'relative intensities' _Heteronucl_NOE_list.NOE_ref_val 1.0 _Heteronucl_NOE_list.NOE_ref_description . _Heteronucl_NOE_list.Details . _Heteronucl_NOE_list.Text_data_format . _Heteronucl_NOE_list.Text_data . loop_ _Heteronucl_NOE_experiment.Experiment_ID _Heteronucl_NOE_experiment.Experiment_name _Heteronucl_NOE_experiment.Sample_ID _Heteronucl_NOE_experiment.Sample_label _Heteronucl_NOE_experiment.Sample_state _Heteronucl_NOE_experiment.Entry_ID _Heteronucl_NOE_experiment.Heteronucl_NOE_list_ID 1 '2D 1H-15N HSQC' . . . 15230 1 stop_ loop_ _Heteronucl_NOE_software.Software_ID _Heteronucl_NOE_software.Software_label _Heteronucl_NOE_software.Method_ID _Heteronucl_NOE_software.Method_label _Heteronucl_NOE_software.Entry_ID _Heteronucl_NOE_software.Heteronucl_NOE_list_ID 2 $CcpNmr_Analysis . . 15230 1 stop_ loop_ _Heteronucl_NOE.ID _Heteronucl_NOE.Assembly_atom_ID_1 _Heteronucl_NOE.Entity_assembly_ID_1 _Heteronucl_NOE.Entity_ID_1 _Heteronucl_NOE.Comp_index_ID_1 _Heteronucl_NOE.Seq_ID_1 _Heteronucl_NOE.Comp_ID_1 _Heteronucl_NOE.Atom_ID_1 _Heteronucl_NOE.Atom_type_1 _Heteronucl_NOE.Atom_isotope_number_1 _Heteronucl_NOE.Assembly_atom_ID_2 _Heteronucl_NOE.Entity_assembly_ID_2 _Heteronucl_NOE.Entity_ID_2 _Heteronucl_NOE.Comp_index_ID_2 _Heteronucl_NOE.Seq_ID_2 _Heteronucl_NOE.Comp_ID_2 _Heteronucl_NOE.Atom_ID_2 _Heteronucl_NOE.Atom_type_2 _Heteronucl_NOE.Atom_isotope_number_2 _Heteronucl_NOE.Val _Heteronucl_NOE.Val_err _Heteronucl_NOE.Resonance_ID_1 _Heteronucl_NOE.Resonance_ID_2 _Heteronucl_NOE.Auth_entity_assembly_ID_1 _Heteronucl_NOE.Auth_seq_ID_1 _Heteronucl_NOE.Auth_comp_ID_1 _Heteronucl_NOE.Auth_atom_ID_1 _Heteronucl_NOE.Auth_entity_assembly_ID_2 _Heteronucl_NOE.Auth_seq_ID_2 _Heteronucl_NOE.Auth_comp_ID_2 _Heteronucl_NOE.Auth_atom_ID_2 _Heteronucl_NOE.Entry_ID _Heteronucl_NOE.Heteronucl_NOE_list_ID 1 . 1 1 14 14 ALA N N 15 . 1 1 14 14 ALA H H 1 0.537 0.081 . . . 13 ALA N . 13 ALA H 15230 1 2 . 1 1 16 16 HIS N N 15 . 1 1 16 16 HIS H H 1 0.732 0.064 . . . 15 HIS N . 15 HIS H 15230 1 3 . 1 1 17 17 LYS N N 15 . 1 1 17 17 LYS H H 1 0.891 0.074 . . . 16 LYS N . 16 LYS H 15230 1 4 . 1 1 18 18 VAL N N 15 . 1 1 18 18 VAL H H 1 0.771 0.062 . . . 17 VAL N . 17 VAL H 15230 1 5 . 1 1 19 19 ILE N N 15 . 1 1 19 19 ILE H H 1 0.837 0.071 . . . 18 ILE N . 18 ILE H 15230 1 6 . 1 1 20 20 MET N N 15 . 1 1 20 20 MET H H 1 0.889 0.084 . . . 19 MET N . 19 MET H 15230 1 7 . 1 1 21 21 VAL N N 15 . 1 1 21 21 VAL H H 1 0.819 0.050 . . . 20 VAL N . 20 VAL H 15230 1 8 . 1 1 22 22 GLY N N 15 . 1 1 22 22 GLY H H 1 0.488 0.091 . . . 21 GLY N . 21 GLY H 15230 1 9 . 1 1 24 24 GLY N N 15 . 1 1 24 24 GLY H H 1 0.851 0.067 . . . 23 GLY N . 23 GLY H 15230 1 10 . 1 1 25 25 GLY N N 15 . 1 1 25 25 GLY H H 1 0.708 0.110 . . . 24 GLY N . 24 GLY H 15230 1 11 . 1 1 26 26 VAL N N 15 . 1 1 26 26 VAL H H 1 0.940 0.066 . . . 25 VAL N . 25 VAL H 15230 1 12 . 1 1 27 27 GLY N N 15 . 1 1 27 27 GLY H H 1 0.694 0.057 . . . 26 GLY N . 26 GLY H 15230 1 13 . 1 1 28 28 LYS N N 15 . 1 1 28 28 LYS H H 1 0.901 0.109 . . . 27 LYS N . 27 LYS H 15230 1 14 . 1 1 29 29 SER N N 15 . 1 1 29 29 SER H H 1 0.896 0.082 . . . 28 SER N . 28 SER H 15230 1 15 . 1 1 31 31 LEU N N 15 . 1 1 31 31 LEU H H 1 0.834 0.052 . . . 30 LEU N . 30 LEU H 15230 1 16 . 1 1 32 32 THR N N 15 . 1 1 32 32 THR H H 1 0.756 0.064 . . . 31 THR N . 31 THR H 15230 1 17 . 1 1 33 33 LEU N N 15 . 1 1 33 33 LEU H H 1 0.854 0.109 . . . 32 LEU N . 32 LEU H 15230 1 18 . 1 1 34 34 GLN N N 15 . 1 1 34 34 GLN H H 1 0.820 0.058 . . . 33 GLN N . 33 GLN H 15230 1 19 . 1 1 36 36 MET N N 15 . 1 1 36 36 MET H H 1 0.677 0.063 . . . 35 MET N . 35 MET H 15230 1 20 . 1 1 37 37 TYR N N 15 . 1 1 37 37 TYR H H 1 0.833 0.056 . . . 36 TYR N . 36 TYR H 15230 1 21 . 1 1 38 38 ASP N N 15 . 1 1 38 38 ASP H H 1 0.873 0.051 . . . 37 ASP N . 37 ASP H 15230 1 22 . 1 1 39 39 GLU N N 15 . 1 1 39 39 GLU H H 1 0.778 0.048 . . . 38 GLU N . 38 GLU H 15230 1 23 . 1 1 40 40 PHE N N 15 . 1 1 40 40 PHE H H 1 0.644 0.040 . . . 39 PHE N . 39 PHE H 15230 1 24 . 1 1 41 41 VAL N N 15 . 1 1 41 41 VAL H H 1 0.758 0.082 . . . 40 VAL N . 40 VAL H 15230 1 25 . 1 1 42 42 GLU N N 15 . 1 1 42 42 GLU H H 1 0.669 0.061 . . . 41 GLU N . 41 GLU H 15230 1 26 . 1 1 52 52 TYR N N 15 . 1 1 52 52 TYR H H 1 0.826 0.068 . . . 51 TYR N . 51 TYR H 15230 1 27 . 1 1 53 53 ARG N N 15 . 1 1 53 53 ARG H H 1 0.764 0.044 . . . 52 ARG N . 52 ARG H 15230 1 28 . 1 1 54 54 LYS N N 15 . 1 1 54 54 LYS H H 1 0.757 0.049 . . . 53 LYS N . 53 LYS H 15230 1 29 . 1 1 55 55 LYS N N 15 . 1 1 55 55 LYS H H 1 0.751 0.043 . . . 54 LYS N . 54 LYS H 15230 1 30 . 1 1 56 56 VAL N N 15 . 1 1 56 56 VAL H H 1 0.738 0.044 . . . 55 VAL N . 55 VAL H 15230 1 31 . 1 1 57 57 VAL N N 15 . 1 1 57 57 VAL H H 1 0.774 0.040 . . . 56 VAL N . 56 VAL H 15230 1 32 . 1 1 58 58 LEU N N 15 . 1 1 58 58 LEU H H 1 0.860 0.060 . . . 57 LEU N . 57 LEU H 15230 1 33 . 1 1 60 60 GLY N N 15 . 1 1 60 60 GLY H H 1 0.821 0.064 . . . 59 GLY N . 59 GLY H 15230 1 34 . 1 1 61 61 GLU N N 15 . 1 1 61 61 GLU H H 1 0.813 0.037 . . . 60 GLU N . 60 GLU H 15230 1 35 . 1 1 62 62 GLU N N 15 . 1 1 62 62 GLU H H 1 0.745 0.045 . . . 61 GLU N . 61 GLU H 15230 1 36 . 1 1 63 63 VAL N N 15 . 1 1 63 63 VAL H H 1 0.766 0.069 . . . 62 VAL N . 62 VAL H 15230 1 37 . 1 1 64 64 GLN N N 15 . 1 1 64 64 GLN H H 1 0.769 0.054 . . . 63 GLN N . 63 GLN H 15230 1 38 . 1 1 65 65 ILE N N 15 . 1 1 65 65 ILE H H 1 0.782 0.060 . . . 64 ILE N . 64 ILE H 15230 1 39 . 1 1 66 66 ASP N N 15 . 1 1 66 66 ASP H H 1 0.758 0.063 . . . 65 ASP N . 65 ASP H 15230 1 40 . 1 1 67 67 ILE N N 15 . 1 1 67 67 ILE H H 1 0.788 0.061 . . . 66 ILE N . 66 ILE H 15230 1 41 . 1 1 68 68 LEU N N 15 . 1 1 68 68 LEU H H 1 0.797 0.065 . . . 67 LEU N . 67 LEU H 15230 1 42 . 1 1 73 73 LEU N N 15 . 1 1 73 73 LEU H H 1 0.792 0.063 . . . 72 LEU N . 72 LEU H 15230 1 43 . 1 1 78 78 ALA N N 15 . 1 1 78 78 ALA H H 1 0.664 0.079 . . . 77 ALA N . 77 ALA H 15230 1 44 . 1 1 79 79 ILE N N 15 . 1 1 79 79 ILE H H 1 0.755 0.063 . . . 78 ILE N . 78 ILE H 15230 1 45 . 1 1 81 81 ASP N N 15 . 1 1 81 81 ASP H H 1 0.766 0.065 . . . 80 ASP N . 80 ASP H 15230 1 46 . 1 1 82 82 ASN N N 15 . 1 1 82 82 ASN H H 1 0.778 0.124 . . . 81 ASN N . 81 ASN H 15230 1 47 . 1 1 83 83 TYR N N 15 . 1 1 83 83 TYR H H 1 0.838 0.125 . . . 82 TYR N . 82 TYR H 15230 1 48 . 1 1 84 84 PHE N N 15 . 1 1 84 84 PHE H H 1 0.695 0.062 . . . 83 PHE N . 83 PHE H 15230 1 49 . 1 1 86 86 SER N N 15 . 1 1 86 86 SER H H 1 0.612 0.068 . . . 85 SER N . 85 SER H 15230 1 50 . 1 1 87 87 GLY N N 15 . 1 1 87 87 GLY H H 1 0.776 0.056 . . . 86 GLY N . 86 GLY H 15230 1 51 . 1 1 88 88 GLU N N 15 . 1 1 88 88 GLU H H 1 0.766 0.087 . . . 87 GLU N . 87 GLU H 15230 1 52 . 1 1 89 89 GLY N N 15 . 1 1 89 89 GLY H H 1 0.783 0.046 . . . 88 GLY N . 88 GLY H 15230 1 53 . 1 1 92 92 LEU N N 15 . 1 1 92 92 LEU H H 1 0.727 0.056 . . . 91 LEU N . 91 LEU H 15230 1 54 . 1 1 93 93 VAL N N 15 . 1 1 93 93 VAL H H 1 0.832 0.061 . . . 92 VAL N . 92 VAL H 15230 1 55 . 1 1 94 94 PHE N N 15 . 1 1 94 94 PHE H H 1 0.892 0.063 . . . 93 PHE N . 93 PHE H 15230 1 56 . 1 1 96 96 ILE N N 15 . 1 1 96 96 ILE H H 1 0.881 0.069 . . . 95 ILE N . 95 ILE H 15230 1 57 . 1 1 97 97 THR N N 15 . 1 1 97 97 THR H H 1 0.803 0.058 . . . 96 THR N . 96 THR H 15230 1 58 . 1 1 98 98 GLU N N 15 . 1 1 98 98 GLU H H 1 0.789 0.039 . . . 97 GLU N . 97 GLU H 15230 1 59 . 1 1 101 101 SER N N 15 . 1 1 101 101 SER H H 1 0.924 0.066 . . . 100 SER N . 100 SER H 15230 1 60 . 1 1 102 102 PHE N N 15 . 1 1 102 102 PHE H H 1 0.956 0.072 . . . 101 PHE N . 101 PHE H 15230 1 61 . 1 1 104 104 ALA N N 15 . 1 1 104 104 ALA H H 1 0.838 0.039 . . . 103 ALA N . 103 ALA H 15230 1 62 . 1 1 105 105 THR N N 15 . 1 1 105 105 THR H H 1 0.802 0.047 . . . 104 THR N . 104 THR H 15230 1 63 . 1 1 107 107 GLU N N 15 . 1 1 107 107 GLU H H 1 0.829 0.045 . . . 106 GLU N . 106 GLU H 15230 1 64 . 1 1 108 108 PHE N N 15 . 1 1 108 108 PHE H H 1 0.842 0.054 . . . 107 PHE N . 107 PHE H 15230 1 65 . 1 1 110 110 GLU N N 15 . 1 1 110 110 GLU H H 1 0.817 0.047 . . . 109 GLU N . 109 GLU H 15230 1 66 . 1 1 111 111 GLN N N 15 . 1 1 111 111 GLN H H 1 0.749 0.046 . . . 110 GLN N . 110 GLN H 15230 1 67 . 1 1 112 112 ILE N N 15 . 1 1 112 112 ILE H H 1 0.824 0.064 . . . 111 ILE N . 111 ILE H 15230 1 68 . 1 1 113 113 LEU N N 15 . 1 1 113 113 LEU H H 1 0.813 0.056 . . . 112 LEU N . 112 LEU H 15230 1 69 . 1 1 114 114 ARG N N 15 . 1 1 114 114 ARG H H 1 0.751 0.041 . . . 113 ARG N . 113 ARG H 15230 1 70 . 1 1 115 115 VAL N N 15 . 1 1 115 115 VAL H H 1 0.751 0.059 . . . 114 VAL N . 114 VAL H 15230 1 71 . 1 1 116 116 LYS N N 15 . 1 1 116 116 LYS H H 1 0.797 0.051 . . . 115 LYS N . 115 LYS H 15230 1 72 . 1 1 117 117 ALA N N 15 . 1 1 117 117 ALA H H 1 0.572 0.035 . . . 116 ALA N . 116 ALA H 15230 1 73 . 1 1 118 118 GLU N N 15 . 1 1 118 118 GLU H H 1 0.615 0.040 . . . 117 GLU N . 117 GLU H 15230 1 74 . 1 1 120 120 ASP N N 15 . 1 1 120 120 ASP H H 1 0.522 0.045 . . . 119 ASP N . 119 ASP H 15230 1 75 . 1 1 121 121 LYS N N 15 . 1 1 121 121 LYS H H 1 0.502 0.026 . . . 120 LYS N . 120 LYS H 15230 1 76 . 1 1 122 122 ILE N N 15 . 1 1 122 122 ILE H H 1 0.553 0.050 . . . 121 ILE N . 121 ILE H 15230 1 77 . 1 1 124 124 LEU N N 15 . 1 1 124 124 LEU H H 1 0.795 0.050 . . . 123 LEU N . 123 LEU H 15230 1 78 . 1 1 126 126 VAL N N 15 . 1 1 126 126 VAL H H 1 0.703 0.043 . . . 125 VAL N . 125 VAL H 15230 1 79 . 1 1 127 127 VAL N N 15 . 1 1 127 127 VAL H H 1 0.820 0.058 . . . 126 VAL N . 126 VAL H 15230 1 80 . 1 1 128 128 GLY N N 15 . 1 1 128 128 GLY H H 1 0.788 0.070 . . . 127 GLY N . 127 GLY H 15230 1 81 . 1 1 129 129 ASN N N 15 . 1 1 129 129 ASN H H 1 0.807 0.052 . . . 128 ASN N . 128 ASN H 15230 1 82 . 1 1 130 130 LYS N N 15 . 1 1 130 130 LYS H H 1 0.769 0.069 . . . 129 LYS N . 129 LYS H 15230 1 83 . 1 1 131 131 SER N N 15 . 1 1 131 131 SER H H 1 0.851 0.058 . . . 130 SER N . 130 SER H 15230 1 84 . 1 1 132 132 ASP N N 15 . 1 1 132 132 ASP H H 1 0.806 0.056 . . . 131 ASP N . 131 ASP H 15230 1 85 . 1 1 133 133 LEU N N 15 . 1 1 133 133 LEU H H 1 0.813 0.054 . . . 132 LEU N . 132 LEU H 15230 1 86 . 1 1 134 134 GLU N N 15 . 1 1 134 134 GLU H H 1 0.781 0.038 . . . 133 GLU N . 133 GLU H 15230 1 87 . 1 1 135 135 GLU N N 15 . 1 1 135 135 GLU H H 1 0.852 0.057 . . . 134 GLU N . 134 GLU H 15230 1 88 . 1 1 136 136 ARG N N 15 . 1 1 136 136 ARG H H 1 0.824 0.050 . . . 135 ARG N . 135 ARG H 15230 1 89 . 1 1 137 137 ARG N N 15 . 1 1 137 137 ARG H H 1 0.902 0.044 . . . 136 ARG N . 136 ARG H 15230 1 90 . 1 1 138 138 GLN N N 15 . 1 1 138 138 GLN H H 1 0.736 0.104 . . . 137 GLN N . 137 GLN H 15230 1 91 . 1 1 139 139 VAL N N 15 . 1 1 139 139 VAL H H 1 0.690 0.060 . . . 138 VAL N . 138 VAL H 15230 1 92 . 1 1 141 141 VAL N N 15 . 1 1 141 141 VAL H H 1 0.765 0.050 . . . 140 VAL N . 140 VAL H 15230 1 93 . 1 1 143 143 GLU N N 15 . 1 1 143 143 GLU H H 1 0.737 0.046 . . . 142 GLU N . 142 GLU H 15230 1 94 . 1 1 144 144 ALA N N 15 . 1 1 144 144 ALA H H 1 0.882 0.056 . . . 143 ALA N . 143 ALA H 15230 1 95 . 1 1 145 145 ARG N N 15 . 1 1 145 145 ARG H H 1 0.750 0.041 . . . 144 ARG N . 144 ARG H 15230 1 96 . 1 1 146 146 SER N N 15 . 1 1 146 146 SER H H 1 0.783 0.038 . . . 145 SER N . 145 SER H 15230 1 97 . 1 1 147 147 LYS N N 15 . 1 1 147 147 LYS H H 1 0.881 0.048 . . . 146 LYS N . 146 LYS H 15230 1 98 . 1 1 148 148 ALA N N 15 . 1 1 148 148 ALA H H 1 0.773 0.039 . . . 147 ALA N . 147 ALA H 15230 1 99 . 1 1 149 149 GLU N N 15 . 1 1 149 149 GLU H H 1 0.729 0.036 . . . 148 GLU N . 148 GLU H 15230 1 100 . 1 1 150 150 GLU N N 15 . 1 1 150 150 GLU H H 1 0.730 0.035 . . . 149 GLU N . 149 GLU H 15230 1 101 . 1 1 152 152 GLY N N 15 . 1 1 152 152 GLY H H 1 0.764 0.043 . . . 151 GLY N . 151 GLY H 15230 1 102 . 1 1 153 153 VAL N N 15 . 1 1 153 153 VAL H H 1 0.804 0.044 . . . 152 VAL N . 152 VAL H 15230 1 103 . 1 1 154 154 GLN N N 15 . 1 1 154 154 GLN H H 1 0.793 0.049 . . . 153 GLN N . 153 GLN H 15230 1 104 . 1 1 156 156 VAL N N 15 . 1 1 156 156 VAL H H 1 0.855 0.054 . . . 155 VAL N . 155 VAL H 15230 1 105 . 1 1 159 159 SER N N 15 . 1 1 159 159 SER H H 1 0.859 0.061 . . . 158 SER N . 158 SER H 15230 1 106 . 1 1 160 160 ALA N N 15 . 1 1 160 160 ALA H H 1 0.820 0.060 . . . 159 ALA N . 159 ALA H 15230 1 107 . 1 1 161 161 LYS N N 15 . 1 1 161 161 LYS H H 1 0.870 0.068 . . . 160 LYS N . 160 LYS H 15230 1 108 . 1 1 162 162 THR N N 15 . 1 1 162 162 THR H H 1 0.844 0.069 . . . 161 THR N . 161 THR H 15230 1 109 . 1 1 163 163 ARG N N 15 . 1 1 163 163 ARG H H 1 0.825 0.056 . . . 162 ARG N . 162 ARG H 15230 1 110 . 1 1 164 164 ALA N N 15 . 1 1 164 164 ALA H H 1 0.791 0.037 . . . 163 ALA N . 163 ALA H 15230 1 111 . 1 1 165 165 ASN N N 15 . 1 1 165 165 ASN H H 1 0.787 0.052 . . . 164 ASN N . 164 ASN H 15230 1 112 . 1 1 166 166 VAL N N 15 . 1 1 166 166 VAL H H 1 0.813 0.046 . . . 165 VAL N . 165 VAL H 15230 1 113 . 1 1 167 167 ASP N N 15 . 1 1 167 167 ASP H H 1 0.770 0.040 . . . 166 ASP N . 166 ASP H 15230 1 114 . 1 1 168 168 LYS N N 15 . 1 1 168 168 LYS H H 1 0.805 0.042 . . . 167 LYS N . 167 LYS H 15230 1 115 . 1 1 169 169 VAL N N 15 . 1 1 169 169 VAL H H 1 0.733 0.047 . . . 168 VAL N . 168 VAL H 15230 1 116 . 1 1 170 170 PHE N N 15 . 1 1 170 170 PHE H H 1 0.808 0.053 . . . 169 PHE N . 169 PHE H 15230 1 117 . 1 1 171 171 PHE N N 15 . 1 1 171 171 PHE H H 1 0.797 0.049 . . . 170 PHE N . 170 PHE H 15230 1 118 . 1 1 172 172 ASP N N 15 . 1 1 172 172 ASP H H 1 0.825 0.044 . . . 171 ASP N . 171 ASP H 15230 1 119 . 1 1 173 173 LEU N N 15 . 1 1 173 173 LEU H H 1 0.831 0.044 . . . 172 LEU N . 172 LEU H 15230 1 120 . 1 1 174 174 MET N N 15 . 1 1 174 174 MET H H 1 0.826 0.045 . . . 173 MET N . 173 MET H 15230 1 121 . 1 1 176 176 GLU N N 15 . 1 1 176 176 GLU H H 1 0.827 0.043 . . . 175 GLU N . 175 GLU H 15230 1 122 . 1 1 177 177 ILE N N 15 . 1 1 177 177 ILE H H 1 0.840 0.065 . . . 176 ILE N . 176 ILE H 15230 1 123 . 1 1 179 179 THR N N 15 . 1 1 179 179 THR H H 1 0.806 0.054 . . . 178 THR N . 178 THR H 15230 1 124 . 1 1 180 180 LYS N N 15 . 1 1 180 180 LYS H H 1 0.801 0.055 . . . 179 LYS N . 179 LYS H 15230 1 125 . 1 1 181 181 LYS N N 15 . 1 1 181 181 LYS H H 1 0.759 0.067 . . . 180 LYS N . 180 LYS H 15230 1 126 . 1 1 182 182 MET N N 15 . 1 1 182 182 MET H H 1 0.828 0.064 . . . 181 MET N . 181 MET H 15230 1 127 . 1 1 183 183 SER N N 15 . 1 1 183 183 SER H H 1 0.578 0.036 . . . 182 SER N . 182 SER H 15230 1 stop_ save_ ######################################## # Heteronuclear T1 relaxation values # ######################################## save_heteronuclear_T1_list_1 _Heteronucl_T1_list.Sf_category heteronucl_T1_relaxation _Heteronucl_T1_list.Sf_framecode heteronuclear_T1_list_1 _Heteronucl_T1_list.Entry_ID 15230 _Heteronucl_T1_list.ID 1 _Heteronucl_T1_list.Sample_condition_list_ID 1 _Heteronucl_T1_list.Sample_condition_list_label $sample_conditions_1 _Heteronucl_T1_list.Spectrometer_frequency_1H 500 _Heteronucl_T1_list.T1_coherence_type NzHz _Heteronucl_T1_list.T1_val_units s-1 _Heteronucl_T1_list.Details . _Heteronucl_T1_list.Text_data_format . _Heteronucl_T1_list.Text_data . loop_ _Heteronucl_T1_experiment.Experiment_ID _Heteronucl_T1_experiment.Experiment_name _Heteronucl_T1_experiment.Sample_ID _Heteronucl_T1_experiment.Sample_label _Heteronucl_T1_experiment.Sample_state _Heteronucl_T1_experiment.Entry_ID _Heteronucl_T1_experiment.Heteronucl_T1_list_ID 1 '2D 1H-15N HSQC' . . . 15230 1 stop_ loop_ _Heteronucl_T1_software.Software_ID _Heteronucl_T1_software.Software_label _Heteronucl_T1_software.Method_ID _Heteronucl_T1_software.Method_label _Heteronucl_T1_software.Entry_ID _Heteronucl_T1_software.Heteronucl_T1_list_ID 2 $CcpNmr_Analysis . . 15230 1 stop_ loop_ _T1.ID _T1.Assembly_atom_ID _T1.Entity_assembly_ID _T1.Entity_ID _T1.Comp_index_ID _T1.Seq_ID _T1.Comp_ID _T1.Atom_ID _T1.Atom_type _T1.Atom_isotope_number _T1.Val _T1.Val_err _T1.Resonance_ID _T1.Auth_entity_assembly_ID _T1.Auth_seq_ID _T1.Auth_comp_ID _T1.Auth_atom_ID _T1.Entry_ID _T1.Heteronucl_T1_list_ID 1 . 1 1 14 14 ALA N N 15 1.435 0.084 . . 13 ALA N 15230 1 2 . 1 1 16 16 HIS N N 15 1.426 0.087 . . 15 HIS N 15230 1 3 . 1 1 17 17 LYS N N 15 1.333 0.092 . . 16 LYS N 15230 1 4 . 1 1 18 18 VAL N N 15 1.395 0.104 . . 17 VAL N 15230 1 5 . 1 1 19 19 ILE N N 15 1.321 0.090 . . 18 ILE N 15230 1 6 . 1 1 20 20 MET N N 15 1.396 0.108 . . 19 MET N 15230 1 7 . 1 1 21 21 VAL N N 15 1.372 0.069 . . 20 VAL N 15230 1 8 . 1 1 22 22 GLY N N 15 1.844 0.157 . . 21 GLY N 15230 1 9 . 1 1 24 24 GLY N N 15 1.439 0.071 . . 23 GLY N 15230 1 10 . 1 1 25 25 GLY N N 15 1.879 0.312 . . 24 GLY N 15230 1 11 . 1 1 26 26 VAL N N 15 1.402 0.063 . . 25 VAL N 15230 1 12 . 1 1 27 27 GLY N N 15 1.524 0.096 . . 26 GLY N 15230 1 13 . 1 1 28 28 LYS N N 15 1.459 0.196 . . 27 LYS N 15230 1 14 . 1 1 29 29 SER N N 15 1.423 0.109 . . 28 SER N 15230 1 15 . 1 1 31 31 LEU N N 15 1.457 0.070 . . 30 LEU N 15230 1 16 . 1 1 32 32 THR N N 15 1.379 0.089 . . 31 THR N 15230 1 17 . 1 1 33 33 LEU N N 15 1.466 0.397 . . 32 LEU N 15230 1 18 . 1 1 34 34 GLN N N 15 1.546 0.081 . . 33 GLN N 15230 1 19 . 1 1 36 36 MET N N 15 1.352 0.102 . . 35 MET N 15230 1 20 . 1 1 37 37 TYR N N 15 1.274 0.073 . . 36 TYR N 15230 1 21 . 1 1 38 38 ASP N N 15 1.419 0.063 . . 37 ASP N 15230 1 22 . 1 1 39 39 GLU N N 15 1.348 0.055 . . 38 GLU N 15230 1 23 . 1 1 40 40 PHE N N 15 1.331 0.049 . . 39 PHE N 15230 1 24 . 1 1 41 41 VAL N N 15 1.380 0.123 . . 40 VAL N 15230 1 25 . 1 1 42 42 GLU N N 15 1.498 0.086 . . 41 GLU N 15230 1 26 . 1 1 52 52 TYR N N 15 1.422 0.094 . . 51 TYR N 15230 1 27 . 1 1 53 53 ARG N N 15 1.341 0.049 . . 52 ARG N 15230 1 28 . 1 1 54 54 LYS N N 15 1.456 0.061 . . 53 LYS N 15230 1 29 . 1 1 55 55 LYS N N 15 1.369 0.047 . . 54 LYS N 15230 1 30 . 1 1 56 56 VAL N N 15 1.351 0.058 . . 55 VAL N 15230 1 31 . 1 1 57 57 VAL N N 15 1.204 0.043 . . 56 VAL N 15230 1 32 . 1 1 58 58 LEU N N 15 1.281 0.083 . . 57 LEU N 15230 1 33 . 1 1 60 60 GLY N N 15 1.361 0.081 . . 59 GLY N 15230 1 34 . 1 1 61 61 GLU N N 15 1.306 -0.036 . . 60 GLU N 15230 1 35 . 1 1 62 62 GLU N N 15 1.238 0.044 . . 61 GLU N 15230 1 36 . 1 1 63 63 VAL N N 15 1.350 0.074 . . 62 VAL N 15230 1 37 . 1 1 64 64 GLN N N 15 1.301 0.062 . . 63 GLN N 15230 1 38 . 1 1 65 65 ILE N N 15 1.416 0.091 . . 64 ILE N 15230 1 39 . 1 1 66 66 ASP N N 15 1.508 0.208 . . 65 ASP N 15230 1 40 . 1 1 67 67 ILE N N 15 1.422 0.097 . . 66 ILE N 15230 1 41 . 1 1 68 68 LEU N N 15 1.409 0.094 . . 67 LEU N 15230 1 42 . 1 1 73 73 LEU N N 15 1.488 0.072 . . 72 LEU N 15230 1 43 . 1 1 78 78 ALA N N 15 1.347 0.149 . . 77 ALA N 15230 1 44 . 1 1 79 79 ILE N N 15 1.373 0.064 . . 78 ILE N 15230 1 45 . 1 1 81 81 ASP N N 15 1.524 0.084 . . 80 ASP N 15230 1 46 . 1 1 82 82 ASN N N 15 1.326 0.295 . . 81 ASN N 15230 1 47 . 1 1 83 83 TYR N N 15 1.270 0.211 . . 82 TYR N 15230 1 48 . 1 1 84 84 PHE N N 15 1.381 0.087 . . 83 PHE N 15230 1 49 . 1 1 86 86 SER N N 15 1.328 0.112 . . 85 SER N 15230 1 50 . 1 1 87 87 GLY N N 15 1.399 0.058 . . 86 GLY N 15230 1 51 . 1 1 88 88 GLU N N 15 1.272 0.159 . . 87 GLU N 15230 1 52 . 1 1 89 89 GLY N N 15 1.308 0.063 . . 88 GLY N 15230 1 53 . 1 1 92 92 LEU N N 15 1.330 0.071 . . 91 LEU N 15230 1 54 . 1 1 93 93 VAL N N 15 1.385 0.084 . . 92 VAL N 15230 1 55 . 1 1 94 94 PHE N N 15 1.522 0.081 . . 93 PHE N 15230 1 56 . 1 1 96 96 ILE N N 15 1.433 0.087 . . 95 ILE N 15230 1 57 . 1 1 97 97 THR N N 15 1.416 0.074 . . 96 THR N 15230 1 58 . 1 1 98 98 GLU N N 15 1.344 0.045 . . 97 GLU N 15230 1 59 . 1 1 101 101 SER N N 15 1.305 0.065 . . 100 SER N 15230 1 60 . 1 1 102 102 PHE N N 15 1.322 0.083 . . 101 PHE N 15230 1 61 . 1 1 104 104 ALA N N 15 1.360 0.040 . . 103 ALA N 15230 1 62 . 1 1 105 105 THR N N 15 1.297 0.051 . . 104 THR N 15230 1 63 . 1 1 107 107 GLU N N 15 1.266 0.043 . . 106 GLU N 15230 1 64 . 1 1 108 108 PHE N N 15 1.297 0.053 . . 107 PHE N 15230 1 65 . 1 1 110 110 GLU N N 15 1.255 0.051 . . 109 GLU N 15230 1 66 . 1 1 111 111 GLN N N 15 1.348 0.057 . . 110 GLN N 15230 1 67 . 1 1 112 112 ILE N N 15 1.287 0.083 . . 111 ILE N 15230 1 68 . 1 1 113 113 LEU N N 15 1.319 0.067 . . 112 LEU N 15230 1 69 . 1 1 114 114 ARG N N 15 1.297 0.044 . . 113 ARG N 15230 1 70 . 1 1 115 115 VAL N N 15 1.369 0.068 . . 114 VAL N 15230 1 71 . 1 1 116 116 LYS N N 15 1.320 0.056 . . 115 LYS N 15230 1 72 . 1 1 117 117 ALA N N 15 1.462 0.044 . . 116 ALA N 15230 1 73 . 1 1 118 118 GLU N N 15 1.503 0.046 . . 117 GLU N 15230 1 74 . 1 1 120 120 ASP N N 15 1.347 0.062 . . 119 ASP N 15230 1 75 . 1 1 121 121 LYS N N 15 1.424 0.032 . . 120 LYS N 15230 1 76 . 1 1 122 122 ILE N N 15 1.450 0.063 . . 121 ILE N 15230 1 77 . 1 1 124 124 LEU N N 15 1.414 0.058 . . 123 LEU N 15230 1 78 . 1 1 126 126 VAL N N 15 1.388 0.051 . . 125 VAL N 15230 1 79 . 1 1 127 127 VAL N N 15 1.434 0.092 . . 126 VAL N 15230 1 80 . 1 1 128 128 GLY N N 15 1.352 0.096 . . 127 GLY N 15230 1 81 . 1 1 129 129 ASN N N 15 1.490 0.079 . . 128 ASN N 15230 1 82 . 1 1 130 130 LYS N N 15 1.197 0.190 . . 129 LYS N 15230 1 83 . 1 1 131 131 SER N N 15 1.335 0.076 . . 130 SER N 15230 1 84 . 1 1 132 132 ASP N N 15 1.509 0.076 . . 131 ASP N 15230 1 85 . 1 1 133 133 LEU N N 15 1.361 0.064 . . 132 LEU N 15230 1 86 . 1 1 134 134 GLU N N 15 1.266 0.033 . . 133 GLU N 15230 1 87 . 1 1 135 135 GLU N N 15 1.420 0.069 . . 134 GLU N 15230 1 88 . 1 1 136 136 ARG N N 15 1.312 0.051 . . 135 ARG N 15230 1 89 . 1 1 137 137 ARG N N 15 1.449 0.051 . . 136 ARG N 15230 1 90 . 1 1 138 138 GLN N N 15 1.376 0.214 . . 137 GLN N 15230 1 91 . 1 1 139 139 VAL N N 15 1.265 0.103 . . 138 VAL N 15230 1 92 . 1 1 141 141 VAL N N 15 1.337 0.065 . . 140 VAL N 15230 1 93 . 1 1 143 143 GLU N N 15 1.299 0.065 . . 142 GLU N 15230 1 94 . 1 1 144 144 ALA N N 15 1.418 0.056 . . 143 ALA N 15230 1 95 . 1 1 145 145 ARG N N 15 1.314 0.049 . . 144 ARG N 15230 1 96 . 1 1 146 146 SER N N 15 1.283 0.040 . . 145 SER N 15230 1 97 . 1 1 147 147 LYS N N 15 1.356 0.048 . . 146 LYS N 15230 1 98 . 1 1 148 148 ALA N N 15 1.362 0.043 . . 147 ALA N 15230 1 99 . 1 1 149 149 GLU N N 15 1.309 0.041 . . 148 GLU N 15230 1 100 . 1 1 150 150 GLU N N 15 1.304 0.042 . . 149 GLU N 15230 1 101 . 1 1 152 152 GLY N N 15 1.334 0.057 . . 151 GLY N 15230 1 102 . 1 1 153 153 VAL N N 15 1.279 0.049 . . 152 VAL N 15230 1 103 . 1 1 154 154 GLN N N 15 1.267 0.060 . . 153 GLN N 15230 1 104 . 1 1 156 156 VAL N N 15 1.409 0.062 . . 155 VAL N 15230 1 105 . 1 1 159 159 SER N N 15 1.355 0.073 . . 158 SER N 15230 1 106 . 1 1 160 160 ALA N N 15 1.457 0.090 . . 159 ALA N 15230 1 107 . 1 1 161 161 LYS N N 15 1.255 0.073 . . 160 LYS N 15230 1 108 . 1 1 162 162 THR N N 15 1.360 0.085 . . 161 THR N 15230 1 109 . 1 1 163 163 ARG N N 15 1.428 0.070 . . 162 ARG N 15230 1 110 . 1 1 164 164 ALA N N 15 1.148 0.038 . . 163 ALA N 15230 1 111 . 1 1 165 165 ASN N N 15 1.473 0.078 . . 164 ASN N 15230 1 112 . 1 1 166 166 VAL N N 15 1.399 0.054 . . 165 VAL N 15230 1 113 . 1 1 167 167 ASP N N 15 1.276 0.046 . . 166 ASP N 15230 1 114 . 1 1 168 168 LYS N N 15 1.323 0.048 . . 167 LYS N 15230 1 115 . 1 1 169 169 VAL N N 15 1.355 0.056 . . 168 VAL N 15230 1 116 . 1 1 170 170 PHE N N 15 1.233 0.063 . . 169 PHE N 15230 1 117 . 1 1 171 171 PHE N N 15 1.281 0.063 . . 170 PHE N 15230 1 118 . 1 1 172 172 ASP N N 15 1.325 0.058 . . 171 ASP N 15230 1 119 . 1 1 173 173 LEU N N 15 1.376 0.056 . . 172 LEU N 15230 1 120 . 1 1 174 174 MET N N 15 1.339 0.055 . . 173 MET N 15230 1 121 . 1 1 176 176 GLU N N 15 1.319 0.047 . . 175 GLU N 15230 1 122 . 1 1 177 177 ILE N N 15 1.371 0.081 . . 176 ILE N 15230 1 123 . 1 1 179 179 THR N N 15 1.275 0.058 . . 178 THR N 15230 1 124 . 1 1 180 180 LYS N N 15 1.408 0.061 . . 179 LYS N 15230 1 125 . 1 1 181 181 LYS N N 15 1.380 0.082 . . 180 LYS N 15230 1 126 . 1 1 182 182 MET N N 15 1.358 0.059 . . 181 MET N 15230 1 127 . 1 1 183 183 SER N N 15 1.488 0.043 . . 182 SER N 15230 1 stop_ save_ ######################################## # Heteronuclear T2 relaxation values # ######################################## save_heteronuclear_T2_list_1 _Heteronucl_T2_list.Sf_category heteronucl_T2_relaxation _Heteronucl_T2_list.Sf_framecode heteronuclear_T2_list_1 _Heteronucl_T2_list.Entry_ID 15230 _Heteronucl_T2_list.ID 1 _Heteronucl_T2_list.Sample_condition_list_ID 1 _Heteronucl_T2_list.Sample_condition_list_label $sample_conditions_1 _Heteronucl_T2_list.Temp_calibration_method . _Heteronucl_T2_list.Temp_control_method . _Heteronucl_T2_list.Spectrometer_frequency_1H 500 _Heteronucl_T2_list.T2_coherence_type NzHz _Heteronucl_T2_list.T2_val_units s-1 _Heteronucl_T2_list.Rex_units . _Heteronucl_T2_list.Details . _Heteronucl_T2_list.Text_data_format . _Heteronucl_T2_list.Text_data . loop_ _Heteronucl_T2_experiment.Experiment_ID _Heteronucl_T2_experiment.Experiment_name _Heteronucl_T2_experiment.Sample_ID _Heteronucl_T2_experiment.Sample_label _Heteronucl_T2_experiment.Sample_state _Heteronucl_T2_experiment.Entry_ID _Heteronucl_T2_experiment.Heteronucl_T2_list_ID 1 '2D 1H-15N HSQC' . . . 15230 1 stop_ loop_ _T2.ID _T2.Assembly_atom_ID _T2.Entity_assembly_ID _T2.Entity_ID _T2.Comp_index_ID _T2.Seq_ID _T2.Comp_ID _T2.Atom_ID _T2.Atom_type _T2.Atom_isotope_number _T2.T2_val _T2.T2_val_err _T2.Rex_val _T2.Rex_err _T2.Resonance_ID _T2.Auth_entity_assembly_ID _T2.Auth_seq_ID _T2.Auth_comp_ID _T2.Auth_atom_ID _T2.Entry_ID _T2.Heteronucl_T2_list_ID 1 . 1 1 14 14 ALA N N 15 15.943 0.626 . . . . 13 ALA N 15230 1 2 . 1 1 16 16 HIS N N 15 14.019 0.509 . . . . 15 HIS N 15230 1 3 . 1 1 17 17 LYS N N 15 13.901 0.587 . . . . 16 LYS N 15230 1 4 . 1 1 18 18 VAL N N 15 13.531 0.574 . . . . 17 VAL N 15230 1 5 . 1 1 19 19 ILE N N 15 14.155 0.522 . . . . 18 ILE N 15230 1 6 . 1 1 20 20 MET N N 15 13.647 0.584 . . . . 19 MET N 15230 1 7 . 1 1 21 21 VAL N N 15 13.491 0.376 . . . . 20 VAL N 15230 1 8 . 1 1 22 22 GLY N N 15 10.975 0.637 . . . . 21 GLY N 15230 1 9 . 1 1 24 24 GLY N N 15 14.454 0.416 . . . . 23 GLY N 15230 1 10 . 1 1 25 25 GLY N N 15 15.070 1.280 . . . . 24 GLY N 15230 1 11 . 1 1 26 26 VAL N N 15 14.081 0.394 . . . . 25 VAL N 15230 1 12 . 1 1 27 27 GLY N N 15 14.310 0.500 . . . . 26 GLY N 15230 1 13 . 1 1 28 28 LYS N N 15 14.731 1.144 . . . . 27 LYS N 15230 1 14 . 1 1 29 29 SER N N 15 16.984 0.796 . . . . 28 SER N 15230 1 15 . 1 1 31 31 LEU N N 15 13.962 0.393 . . . . 30 LEU N 15230 1 16 . 1 1 32 32 THR N N 15 13.900 0.504 . . . . 31 THR N 15230 1 17 . 1 1 33 33 LEU N N 15 15.727 0.944 . . . . 32 LEU N 15230 1 18 . 1 1 34 34 GLN N N 15 15.256 0.537 . . . . 33 GLN N 15230 1 19 . 1 1 36 36 MET N N 15 14.661 0.592 . . . . 35 MET N 15230 1 20 . 1 1 37 37 TYR N N 15 14.221 0.440 . . . . 36 TYR N 15230 1 21 . 1 1 38 38 ASP N N 15 14.619 0.363 . . . . 37 ASP N 15230 1 22 . 1 1 39 39 GLU N N 15 14.785 0.349 . . . . 38 GLU N 15230 1 23 . 1 1 40 40 PHE N N 15 11.862 0.260 . . . . 39 PHE N 15230 1 24 . 1 1 41 41 VAL N N 15 14.201 0.676 . . . . 40 VAL N 15230 1 25 . 1 1 42 42 GLU N N 15 13.447 0.441 . . . . 41 GLU N 15230 1 26 . 1 1 52 52 TYR N N 15 16.201 0.605 . . . . 51 TYR N 15230 1 27 . 1 1 53 53 ARG N N 15 13.749 0.307 . . . . 52 ARG N 15230 1 28 . 1 1 54 54 LYS N N 15 13.751 0.363 . . . . 53 LYS N 15230 1 29 . 1 1 55 55 LYS N N 15 12.938 0.272 . . . . 54 LYS N 15230 1 30 . 1 1 56 56 VAL N N 15 13.830 0.347 . . . . 55 VAL N 15230 1 31 . 1 1 57 57 VAL N N 15 13.251 0.256 . . . . 56 VAL N 15230 1 32 . 1 1 58 58 LEU N N 15 13.941 0.482 . . . . 57 LEU N 15230 1 33 . 1 1 60 60 GLY N N 15 14.486 0.500 . . . . 59 GLY N 15230 1 34 . 1 1 61 61 GLU N N 15 14.109 0.212 . . . . 60 GLU N 15230 1 35 . 1 1 62 62 GLU N N 15 13.037 0.264 . . . . 61 GLU N 15230 1 36 . 1 1 63 63 VAL N N 15 13.944 0.457 . . . . 62 VAL N 15230 1 37 . 1 1 64 64 GLN N N 15 13.856 0.376 . . . . 63 GLN N 15230 1 38 . 1 1 65 65 ILE N N 15 14.886 0.569 . . . . 64 ILE N 15230 1 39 . 1 1 66 66 ASP N N 15 13.546 0.518 . . . . 65 ASP N 15230 1 40 . 1 1 67 67 ILE N N 15 13.104 0.524 . . . . 66 ILE N 15230 1 41 . 1 1 68 68 LEU N N 15 13.391 0.518 . . . . 67 LEU N 15230 1 42 . 1 1 73 73 LEU N N 15 15.042 0.469 . . . . 72 LEU N 15230 1 43 . 1 1 78 78 ALA N N 15 13.552 0.822 . . . . 77 ALA N 15230 1 44 . 1 1 79 79 ILE N N 15 14.576 0.381 . . . . 78 ILE N 15230 1 45 . 1 1 81 81 ASP N N 15 13.584 0.453 . . . . 80 ASP N 15230 1 46 . 1 1 82 82 ASN N N 15 16.884 1.556 . . . . 81 ASN N 15230 1 47 . 1 1 83 83 TYR N N 15 17.252 1.801 . . . . 82 TYR N 15230 1 48 . 1 1 84 84 PHE N N 15 16.169 0.617 . . . . 83 PHE N 15230 1 49 . 1 1 86 86 SER N N 15 12.597 0.611 . . . . 85 SER N 15230 1 50 . 1 1 87 87 GLY N N 15 13.614 0.337 . . . . 86 GLY N 15230 1 51 . 1 1 88 88 GLU N N 15 14.052 0.918 . . . . 87 GLU N 15230 1 52 . 1 1 89 89 GLY N N 15 13.797 0.354 . . . . 88 GLY N 15230 1 53 . 1 1 92 92 LEU N N 15 13.866 0.398 . . . . 91 LEU N 15230 1 54 . 1 1 93 93 VAL N N 15 13.630 0.496 . . . . 92 VAL N 15230 1 55 . 1 1 94 94 PHE N N 15 14.092 0.449 . . . . 93 PHE N 15230 1 56 . 1 1 96 96 ILE N N 15 14.933 0.549 . . . . 95 ILE N 15230 1 57 . 1 1 97 97 THR N N 15 14.676 0.476 . . . . 96 THR N 15230 1 58 . 1 1 98 98 GLU N N 15 15.704 0.309 . . . . 97 GLU N 15230 1 59 . 1 1 101 101 SER N N 15 14.205 0.388 . . . . 100 SER N 15230 1 60 . 1 1 102 102 PHE N N 15 15.271 0.507 . . . . 101 PHE N 15230 1 61 . 1 1 104 104 ALA N N 15 14.675 0.249 . . . . 103 ALA N 15230 1 62 . 1 1 105 105 THR N N 15 14.599 0.311 . . . . 104 THR N 15230 1 63 . 1 1 107 107 GLU N N 15 13.444 0.249 . . . . 106 GLU N 15230 1 64 . 1 1 108 108 PHE N N 15 14.426 0.336 . . . . 107 PHE N 15230 1 65 . 1 1 110 110 GLU N N 15 15.676 0.313 . . . . 109 GLU N 15230 1 66 . 1 1 111 111 GLN N N 15 15.604 0.390 . . . . 110 GLN N 15230 1 67 . 1 1 112 112 ILE N N 15 14.845 0.479 . . . . 111 ILE N 15230 1 68 . 1 1 113 113 LEU N N 15 15.563 0.452 . . . . 112 LEU N 15230 1 69 . 1 1 114 114 ARG N N 15 14.688 0.276 . . . . 113 ARG N 15230 1 70 . 1 1 115 115 VAL N N 15 16.416 0.472 . . . . 114 VAL N 15230 1 71 . 1 1 116 116 LYS N N 15 13.790 0.343 . . . . 115 LYS N 15230 1 72 . 1 1 117 117 ALA N N 15 11.093 0.198 . . . . 116 ALA N 15230 1 73 . 1 1 118 118 GLU N N 15 12.092 0.247 . . . . 117 GLU N 15230 1 74 . 1 1 120 120 ASP N N 15 10.254 0.287 . . . . 119 ASP N 15230 1 75 . 1 1 121 121 LYS N N 15 9.864 0.141 . . . . 120 LYS N 15230 1 76 . 1 1 122 122 ILE N N 15 10.496 0.307 . . . . 121 ILE N 15230 1 77 . 1 1 124 124 LEU N N 15 12.890 0.322 . . . . 123 LEU N 15230 1 78 . 1 1 126 126 VAL N N 15 12.560 0.311 . . . . 125 VAL N 15230 1 79 . 1 1 127 127 VAL N N 15 12.892 0.428 . . . . 126 VAL N 15230 1 80 . 1 1 128 128 GLY N N 15 13.840 0.561 . . . . 127 GLY N 15230 1 81 . 1 1 129 129 ASN N N 15 13.381 0.387 . . . . 128 ASN N 15230 1 82 . 1 1 130 130 LYS N N 15 14.597 0.596 . . . . 129 LYS N 15230 1 83 . 1 1 131 131 SER N N 15 15.240 0.504 . . . . 130 SER N 15230 1 84 . 1 1 132 132 ASP N N 15 14.896 0.466 . . . . 131 ASP N 15230 1 85 . 1 1 133 133 LEU N N 15 14.713 0.394 . . . . 132 LEU N 15230 1 86 . 1 1 134 134 GLU N N 15 12.779 0.203 . . . . 133 GLU N 15230 1 87 . 1 1 135 135 GLU N N 15 14.401 0.406 . . . . 134 GLU N 15230 1 88 . 1 1 136 136 ARG N N 15 13.848 0.327 . . . . 135 ARG N 15230 1 89 . 1 1 137 137 ARG N N 15 13.675 0.271 . . . . 136 ARG N 15230 1 90 . 1 1 138 138 GLN N N 15 16.369 1.441 . . . . 137 GLN N 15230 1 91 . 1 1 139 139 VAL N N 15 13.296 0.558 . . . . 138 VAL N 15230 1 92 . 1 1 141 141 VAL N N 15 14.218 0.415 . . . . 140 VAL N 15230 1 93 . 1 1 143 143 GLU N N 15 13.795 0.390 . . . . 142 GLU N 15230 1 94 . 1 1 144 144 ALA N N 15 13.956 0.362 . . . . 143 ALA N 15230 1 95 . 1 1 145 145 ARG N N 15 15.236 0.321 . . . . 144 ARG N 15230 1 96 . 1 1 146 146 SER N N 15 15.081 0.250 . . . . 145 SER N 15230 1 97 . 1 1 147 147 LYS N N 15 14.961 0.274 . . . . 146 LYS N 15230 1 98 . 1 1 148 148 ALA N N 15 14.967 0.265 . . . . 147 ALA N 15230 1 99 . 1 1 149 149 GLU N N 15 15.162 0.272 . . . . 148 GLU N 15230 1 100 . 1 1 150 150 GLU N N 15 14.433 0.257 . . . . 149 GLU N 15230 1 101 . 1 1 152 152 GLY N N 15 14.480 0.368 . . . . 151 GLY N 15230 1 102 . 1 1 153 153 VAL N N 15 14.415 0.300 . . . . 152 VAL N 15230 1 103 . 1 1 154 154 GLN N N 15 13.721 0.342 . . . . 153 GLN N 15230 1 104 . 1 1 156 156 VAL N N 15 13.034 0.331 . . . . 155 VAL N 15230 1 105 . 1 1 159 159 SER N N 15 13.676 0.409 . . . . 158 SER N 15230 1 106 . 1 1 160 160 ALA N N 15 13.968 0.454 . . . . 159 ALA N 15230 1 107 . 1 1 161 161 LYS N N 15 14.434 0.448 . . . . 160 LYS N 15230 1 108 . 1 1 162 162 THR N N 15 13.190 0.480 . . . . 161 THR N 15230 1 109 . 1 1 163 163 ARG N N 15 14.849 0.432 . . . . 162 ARG N 15230 1 110 . 1 1 164 164 ALA N N 15 12.740 0.216 . . . . 163 ALA N 15230 1 111 . 1 1 165 165 ASN N N 15 13.492 0.434 . . . . 164 ASN N 15230 1 112 . 1 1 166 166 VAL N N 15 14.554 0.305 . . . . 165 VAL N 15230 1 113 . 1 1 167 167 ASP N N 15 13.901 0.287 . . . . 166 ASP N 15230 1 114 . 1 1 168 168 LYS N N 15 14.697 0.301 . . . . 167 LYS N 15230 1 115 . 1 1 169 169 VAL N N 15 14.481 0.355 . . . . 168 VAL N 15230 1 116 . 1 1 170 170 PHE N N 15 14.297 0.405 . . . . 169 PHE N 15230 1 117 . 1 1 171 171 PHE N N 15 14.895 0.410 . . . . 170 PHE N 15230 1 118 . 1 1 172 172 ASP N N 15 15.269 0.369 . . . . 171 ASP N 15230 1 119 . 1 1 173 173 LEU N N 15 14.563 0.321 . . . . 172 LEU N 15230 1 120 . 1 1 174 174 MET N N 15 14.829 0.354 . . . . 173 MET N 15230 1 121 . 1 1 176 176 GLU N N 15 14.691 0.299 . . . . 175 GLU N 15230 1 122 . 1 1 177 177 ILE N N 15 14.259 0.481 . . . . 176 ILE N 15230 1 123 . 1 1 179 179 THR N N 15 15.480 0.401 . . . . 178 THR N 15230 1 124 . 1 1 180 180 LYS N N 15 14.377 0.355 . . . . 179 LYS N 15230 1 125 . 1 1 181 181 LYS N N 15 14.660 0.525 . . . . 180 LYS N 15230 1 126 . 1 1 182 182 MET N N 15 14.474 0.354 . . . . 181 MET N 15230 1 127 . 1 1 183 183 SER N N 15 11.734 0.200 . . . . 182 SER N 15230 1 stop_ save_ ###################### # Order parameters # ###################### save_order_parameter_list_1 _Order_parameter_list.Sf_category order_parameters _Order_parameter_list.Sf_framecode order_parameter_list_1 _Order_parameter_list.Entry_ID 15230 _Order_parameter_list.ID 1 _Order_parameter_list.Sample_condition_list_ID 1 _Order_parameter_list.Sample_condition_list_label $sample_conditions_1 _Order_parameter_list.Tau_e_val_units s _Order_parameter_list.Tau_f_val_units s _Order_parameter_list.Tau_s_val_units s _Order_parameter_list.Rex_field_strength . _Order_parameter_list.Rex_val_units . _Order_parameter_list.Details ; Model-free analysis (anisotropic model of internal motion) in Tensor2 (Dosset et al., 2000) ; _Order_parameter_list.Text_data_format . _Order_parameter_list.Text_data . loop_ _Order_parameter_experiment.Experiment_ID _Order_parameter_experiment.Experiment_name _Order_parameter_experiment.Sample_ID _Order_parameter_experiment.Sample_label _Order_parameter_experiment.Sample_state _Order_parameter_experiment.Entry_ID _Order_parameter_experiment.Order_parameter_list_ID 1 '2D 1H-15N HSQC' . . . 15230 1 stop_ loop_ _Order_parameter_software.Software_ID _Order_parameter_software.Software_label _Order_parameter_software.Method_ID _Order_parameter_software.Method_label _Order_parameter_software.Entry_ID _Order_parameter_software.Order_parameter_list_ID 6 $Tensor2 . . 15230 1 stop_ loop_ _Order_param.ID _Order_param.Assembly_atom_ID _Order_param.Entity_assembly_ID _Order_param.Entity_ID _Order_param.Comp_index_ID _Order_param.Seq_ID _Order_param.Comp_ID _Order_param.Atom_ID _Order_param.Atom_type _Order_param.Atom_isotope_number _Order_param.Order_param_val _Order_param.Order_param_val_fit_err _Order_param.Tau_e_val _Order_param.Tau_e_val_fit_err _Order_param.Tau_f_val _Order_param.Tau_f_val_fit_err _Order_param.Tau_s_val _Order_param.Tau_s_val_fit_err _Order_param.Rex_val _Order_param.Rex_val_fit_err _Order_param.Model_free_sum_squared_errs _Order_param.Model_fit _Order_param.Sf2_val _Order_param.Sf2_val_fit_err _Order_param.Ss2_val _Order_param.Ss2_val_fit_err _Order_param.SH2_val _Order_param.SH2_val_fit_err _Order_param.SN2_val _Order_param.SN2_val_fit_err _Order_param.Resonance_ID _Order_param.Auth_entity_assembly_ID _Order_param.Auth_seq_ID _Order_param.Auth_comp_ID _Order_param.Auth_atom_ID _Order_param.Entry_ID _Order_param.Order_parameter_list_ID 1 . 1 1 14 14 ALA N N 15 0.8659 0.0444 1.3503e-10 2.2476e-10 . . . . 2.4008 0.9385 0.0000e+00 4 1.0000 0.0000 . . . . . . . 1 13 ALA . 15230 1 2 . 1 1 16 16 HIS N N 15 0.9048 0.0253 0.0000e+00 0.0000e+00 . . . . 0.0000 0.0000 1.5436e+00 1 1.0000 0.0000 . . . . . . . 1 15 HIS . 15230 1 3 . 1 1 17 17 LYS N N 15 0.8829 0.0272 0.0000e+00 0.0000e+00 . . . . 0.0000 0.0000 1.4422e+00 1 1.0000 0.0000 . . . . . . . 1 16 LYS . 15230 1 4 . 1 1 18 18 VAL N N 15 0.8787 0.0331 0.0000e+00 0.0000e+00 . . . . 0.0000 0.0000 4.3685e-01 1 1.0000 0.0000 . . . . . . . 1 17 VAL . 15230 1 5 . 1 1 19 19 ILE N N 15 0.9015 0.0235 0.0000e+00 0.0000e+00 . . . . 0.0000 0.0000 1.8031e+00 1 1.0000 0.0000 . . . . . . . 1 18 ILE . 15230 1 6 . 1 1 20 20 MET N N 15 0.8836 0.0317 0.0000e+00 0.0000e+00 . . . . 0.0000 0.0000 9.6544e-01 1 1.0000 0.0000 . . . . . . . 1 19 MET . 15230 1 7 . 1 1 21 21 VAL N N 15 0.8883 0.0203 0.0000e+00 0.0000e+00 . . . . 0.0000 0.0000 8.9269e-01 1 1.0000 0.0000 . . . . . . . 1 20 VAL . 15230 1 8 . 1 1 22 22 GLY N N 15 0.6497 0.0450 1.5740e-09 3.6399e-10 . . . . 0.0000 0.0000 1.9642e-01 2 1.0000 0.0000 . . . . . . . 1 21 GLY . 15230 1 9 . 1 1 24 24 GLY N N 15 0.9438 0.0226 0.0000e+00 0.0000e+00 . . . . 0.0000 0.0000 1.8944e+00 1 1.0000 0.0000 . . . . . . . 1 23 GLY . 15230 1 10 . 1 1 25 25 GLY N N 15 0.9625 0.0541 0.0000e+00 0.0000e+00 . . . . 0.0000 0.0000 3.3322e+00 1 1.0000 0.0000 . . . . . . . 1 24 GLY . 15230 1 11 . 1 1 26 26 VAL N N 15 0.8145 0.0000 1.1675e-08 4.8280e-09 . . . . 0.0000 0.0000 4.2026e+00 6 0.8931 0.0274 0.9120 0.0383 . . . . . 1 25 VAL . 15230 1 12 . 1 1 27 27 GLY N N 15 0.9199 0.0285 0.0000e+00 0.0000e+00 . . . . 0.0000 0.0000 6.3438e+00 1 1.0000 0.0000 . . . . . . . 1 26 GLY . 15230 1 13 . 1 1 28 28 LYS N N 15 0.9530 0.0511 0.0000e+00 0.0000e+00 . . . . 0.0000 0.0000 7.8899e-01 1 1.0000 0.0000 . . . . . . . 1 27 LYS . 15230 1 14 . 1 1 29 29 SER N N 15 1.0000 0.0248 0.0000e+00 0.0000e+00 . . . . 0.0000 0.0000 6.9015e+00 1 1.0000 0.0000 . . . . . . . 1 28 SER . 15230 1 15 . 1 1 31 31 LEU N N 15 0.9148 0.0194 0.0000e+00 0.0000e+00 . . . . 0.0000 0.0000 3.1344e-01 1 1.0000 0.0000 . . . . . . . 1 30 LEU . 15230 1 16 . 1 1 32 32 THR N N 15 0.9001 0.0320 0.0000e+00 0.0000e+00 . . . . 0.0000 0.0000 9.4824e-01 1 1.0000 0.0000 . . . . . . . 1 31 THR . 15230 1 17 . 1 1 33 33 LEU N N 15 0.9972 0.0388 0.0000e+00 0.0000e+00 . . . . 0.0000 0.0000 1.9692e-01 1 1.0000 0.0000 . . . . . . . 1 32 LEU . 15230 1 18 . 1 1 34 34 GLN N N 15 0.9865 0.0204 0.0000e+00 0.0000e+00 . . . . 0.0000 0.0000 5.6469e-02 1 1.0000 0.0000 . . . . . . . 1 33 GLN . 15230 1 19 . 1 1 36 36 MET N N 15 0.9269 0.0340 0.0000e+00 0.0000e+00 . . . . 0.0000 0.0000 5.5031e+00 1 1.0000 0.0000 . . . . . . . 1 35 MET . 15230 1 20 . 1 1 37 37 TYR N N 15 0.8832 0.0248 0.0000e+00 0.0000e+00 . . . . 0.0000 0.0000 1.6386e+00 1 1.0000 0.0000 . . . . . . . 1 36 TYR . 15230 1 21 . 1 1 38 38 ASP N N 15 0.9329 0.0186 0.0000e+00 0.0000e+00 . . . . 0.0000 0.0000 1.8668e+00 1 1.0000 0.0000 . . . . . . . 1 37 ASP . 15230 1 22 . 1 1 39 39 GLU N N 15 0.9238 0.0180 0.0000e+00 0.0000e+00 . . . . 0.0000 0.0000 2.9048e+00 1 1.0000 0.0000 . . . . . . . 1 38 GLU . 15230 1 23 . 1 1 40 40 PHE N N 15 0.7731 0.0152 4.0695e-11 1.1355e-11 . . . . 0.0000 0.0000 3.8082e+00 2 1.0000 0.0000 . . . . . . . 1 39 PHE . 15230 1 24 . 1 1 41 41 VAL N N 15 0.8951 0.0367 0.0000e+00 0.0000e+00 . . . . 0.0000 0.0000 4.4199e-01 1 1.0000 0.0000 . . . . . . . 1 40 VAL . 15230 1 25 . 1 1 42 42 GLU N N 15 0.8768 0.0270 7.4441e-11 2.7201e-10 . . . . 0.0000 0.0000 1.3520e+00 2 1.0000 0.0000 . . . . . . . 1 41 GLU . 15230 1 26 . 1 1 52 52 TYR N N 15 1.0000 0.0199 0.0000e+00 0.0000e+00 . . . . 0.0000 0.0000 3.8044e+00 1 1.0000 0.0000 . . . . . . . 1 51 TYR . 15230 1 27 . 1 1 53 53 ARG N N 15 0.8789 0.0165 0.0000e+00 0.0000e+00 . . . . 0.0000 0.0000 1.4247e+00 1 1.0000 0.0000 . . . . . . . 1 52 ARG . 15230 1 28 . 1 1 54 54 LYS N N 15 0.8998 0.0175 0.0000e+00 0.0000e+00 . . . . 0.0000 0.0000 2.1284e+00 1 1.0000 0.0000 . . . . . . . 1 53 LYS . 15230 1 29 . 1 1 55 55 LYS N N 15 0.8409 0.0162 0.0000e+00 0.0000e+00 . . . . 0.0000 0.0000 4.9696e+00 1 1.0000 0.0000 . . . . . . . 1 54 LYS . 15230 1 30 . 1 1 56 56 VAL N N 15 0.8754 0.0197 0.0000e+00 0.0000e+00 . . . . 0.0000 0.0000 2.7746e+00 1 1.0000 0.0000 . . . . . . . 1 55 VAL . 15230 1 31 . 1 1 57 57 VAL N N 15 0.8032 0.0127 0.0000e+00 0.0000e+00 . . . . 0.0000 0.0000 1.8613e+00 1 1.0000 0.0000 . . . . . . . 1 56 VAL . 15230 1 32 . 1 1 58 58 LEU N N 15 0.8496 0.0266 0.0000e+00 0.0000e+00 . . . . 0.0000 0.0000 9.9888e-01 1 1.0000 0.0000 . . . . . . . 1 57 LEU . 15230 1 33 . 1 1 60 60 GLY N N 15 0.9091 0.0267 0.0000e+00 0.0000e+00 . . . . 0.0000 0.0000 1.4568e-01 1 1.0000 0.0000 . . . . . . . 1 59 GLY . 15230 1 34 . 1 1 61 61 GLU N N 15 0.8781 0.0128 0.0000e+00 0.0000e+00 . . . . 0.0000 0.0000 3.9306e-01 1 1.0000 0.0000 . . . . . . . 1 60 GLU . 15230 1 35 . 1 1 62 62 GLU N N 15 0.8034 0.0135 0.0000e+00 0.0000e+00 . . . . 0.0000 0.0000 4.4730e+00 1 1.0000 0.0000 . . . . . . . 1 61 GLU . 15230 1 36 . 1 1 63 63 VAL N N 15 0.8717 0.0255 0.0000e+00 0.0000e+00 . . . . 0.0000 0.0000 1.0182e+00 1 1.0000 0.0000 . . . . . . . 1 62 VAL . 15230 1 37 . 1 1 64 64 GLN N N 15 0.8616 0.0196 0.0000e+00 0.0000e+00 . . . . 0.0000 0.0000 6.0457e-01 1 1.0000 0.0000 . . . . . . . 1 63 GLN . 15230 1 38 . 1 1 65 65 ILE N N 15 0.9474 0.0280 0.0000e+00 0.0000e+00 . . . . 0.0000 0.0000 9.3758e-01 1 1.0000 0.0000 . . . . . . . 1 64 ILE . 15230 1 39 . 1 1 66 66 ASP N N 15 0.8813 0.0345 0.0000e+00 0.0000e+00 . . . . 0.0000 0.0000 1.0683e+00 1 1.0000 0.0000 . . . . . . . 1 65 ASP . 15230 1 40 . 1 1 67 67 ILE N N 15 0.8610 0.0309 0.0000e+00 0.0000e+00 . . . . 0.0000 0.0000 9.8420e-01 1 1.0000 0.0000 . . . . . . . 1 66 ILE . 15230 1 41 . 1 1 68 68 LEU N N 15 0.8786 0.0304 0.0000e+00 0.0000e+00 . . . . 0.0000 0.0000 1.3215e-01 1 1.0000 0.0000 . . . . . . . 1 67 LEU . 15230 1 42 . 1 1 73 73 LEU N N 15 0.9741 0.0220 0.0000e+00 0.0000e+00 . . . . 0.0000 0.0000 1.0372e+00 1 1.0000 0.0000 . . . . . . . 1 72 LEU . 15230 1 43 . 1 1 78 78 ALA N N 15 0.8708 0.0456 0.0000e+00 0.0000e+00 . . . . 0.0000 0.0000 3.3558e+00 1 1.0000 0.0000 . . . . . . . 1 77 ALA . 15230 1 44 . 1 1 79 79 ILE N N 15 0.9114 0.0205 0.0000e+00 0.0000e+00 . . . . 0.0000 0.0000 7.5376e-01 1 1.0000 0.0000 . . . . . . . 1 78 ILE . 15230 1 45 . 1 1 81 81 ASP N N 15 0.9158 0.0265 0.0000e+00 0.0000e+00 . . . . 0.0000 0.0000 1.0064e+00 1 1.0000 0.0000 . . . . . . . 1 80 ASP . 15230 1 46 . 1 1 82 82 ASN N N 15 1.0000 0.0493 0.0000e+00 0.0000e+00 . . . . 0.0000 0.0000 1.4152e+00 1 1.0000 0.0000 . . . . . . . 1 81 ASN . 15230 1 47 . 1 1 83 83 TYR N N 15 0.9857 0.0505 0.0000e+00 0.0000e+00 . . . . 0.0000 0.0000 1.8348e+00 1 1.0000 0.0000 . . . . . . . 1 82 TYR . 15230 1 48 . 1 1 84 84 PHE N N 15 0.8642 0.0525 4.7916e-11 1.2694e-10 . . . . 2.7497 1.0301 0.0000e+00 4 1.0000 0.0000 . . . . . . . 1 83 PHE . 15230 1 49 . 1 1 86 86 SER N N 15 0.7925 0.0333 5.1359e-11 2.2310e-11 . . . . 0.0000 0.0000 7.3645e-01 2 1.0000 0.0000 . . . . . . . 1 85 SER . 15230 1 50 . 1 1 87 87 GLY N N 15 0.8803 0.0179 0.0000e+00 0.0000e+00 . . . . 0.0000 0.0000 9.2823e-01 1 1.0000 0.0000 . . . . . . . 1 86 GLY . 15230 1 51 . 1 1 88 88 GLU N N 15 0.8708 0.0502 0.0000e+00 0.0000e+00 . . . . 0.0000 0.0000 3.5133e-01 1 1.0000 0.0000 . . . . . . . 1 87 GLU . 15230 1 52 . 1 1 89 89 GLY N N 15 0.8758 0.0200 0.0000e+00 0.0000e+00 . . . . 0.0000 0.0000 1.1683e+00 1 1.0000 0.0000 . . . . . . . 1 88 GLY . 15230 1 53 . 1 1 92 92 LEU N N 15 0.8921 0.0231 0.0000e+00 0.0000e+00 . . . . 0.0000 0.0000 3.8041e+00 1 1.0000 0.0000 . . . . . . . 1 91 LEU . 15230 1 54 . 1 1 93 93 VAL N N 15 0.8883 0.0297 0.0000e+00 0.0000e+00 . . . . 0.0000 0.0000 1.9961e-01 1 1.0000 0.0000 . . . . . . . 1 92 VAL . 15230 1 55 . 1 1 94 94 PHE N N 15 0.9424 0.0253 0.0000e+00 0.0000e+00 . . . . 0.0000 0.0000 1.8006e+00 1 1.0000 0.0000 . . . . . . . 1 93 PHE . 15230 1 56 . 1 1 96 96 ILE N N 15 0.9520 0.0272 0.0000e+00 0.0000e+00 . . . . 0.0000 0.0000 1.6609e+00 1 1.0000 0.0000 . . . . . . . 1 95 ILE . 15230 1 57 . 1 1 97 97 THR N N 15 0.9314 0.0269 0.0000e+00 0.0000e+00 . . . . 0.0000 0.0000 1.1221e-01 1 1.0000 0.0000 . . . . . . . 1 96 THR . 15230 1 58 . 1 1 98 98 GLU N N 15 0.9516 0.0144 0.0000e+00 0.0000e+00 . . . . 0.0000 0.0000 4.7124e+00 1 1.0000 0.0000 . . . . . . . 1 97 GLU . 15230 1 59 . 1 1 101 101 SER N N 15 0.8780 0.0201 0.0000e+00 0.0000e+00 . . . . 0.0000 0.0000 3.0081e+00 1 1.0000 0.0000 . . . . . . . 1 100 SER . 15230 1 60 . 1 1 102 102 PHE N N 15 0.9174 0.0275 0.0000e+00 0.0000e+00 . . . . 0.0000 0.0000 4.1093e+00 1 1.0000 0.0000 . . . . . . . 1 101 PHE . 15230 1 61 . 1 1 104 104 ALA N N 15 0.9059 0.0121 0.0000e+00 0.0000e+00 . . . . 0.0000 0.0000 6.8069e-01 1 1.0000 0.0000 . . . . . . . 1 103 ALA . 15230 1 62 . 1 1 105 105 THR N N 15 0.8982 0.0153 0.0000e+00 0.0000e+00 . . . . 0.0000 0.0000 1.4994e+00 1 1.0000 0.0000 . . . . . . . 1 104 THR . 15230 1 63 . 1 1 107 107 GLU N N 15 0.8361 0.0131 0.0000e+00 0.0000e+00 . . . . 0.0000 0.0000 3.2566e-01 1 1.0000 0.0000 . . . . . . . 1 106 GLU . 15230 1 64 . 1 1 108 108 PHE N N 15 0.8831 0.0144 0.0000e+00 0.0000e+00 . . . . 0.0000 0.0000 4.2760e-01 1 1.0000 0.0000 . . . . . . . 1 107 PHE . 15230 1 65 . 1 1 110 110 GLU N N 15 0.9260 0.0174 0.0000e+00 0.0000e+00 . . . . 0.0000 0.0000 4.2153e+00 1 1.0000 0.0000 . . . . . . . 1 109 GLU . 15230 1 66 . 1 1 111 111 GLN N N 15 0.9380 0.0203 0.0000e+00 0.0000e+00 . . . . 0.0000 0.0000 1.9852e+00 1 1.0000 0.0000 . . . . . . . 1 110 GLN . 15230 1 67 . 1 1 112 112 ILE N N 15 0.9033 0.0280 0.0000e+00 0.0000e+00 . . . . 0.0000 0.0000 6.1000e-01 1 1.0000 0.0000 . . . . . . . 1 111 ILE . 15230 1 68 . 1 1 113 113 LEU N N 15 0.9309 0.0232 0.0000e+00 0.0000e+00 . . . . 0.0000 0.0000 4.7749e-01 1 1.0000 0.0000 . . . . . . . 1 112 LEU . 15230 1 69 . 1 1 114 114 ARG N N 15 0.8851 0.0168 0.0000e+00 0.0000e+00 . . . . 0.0000 0.0000 2.2253e+00 1 1.0000 0.0000 . . . . . . . 1 113 ARG . 15230 1 70 . 1 1 115 115 VAL N N 15 0.9907 0.0158 0.0000e+00 0.0000e+00 . . . . 0.0000 0.0000 5.8733e+00 1 1.0000 0.0000 . . . . . . . 1 114 VAL . 15230 1 71 . 1 1 116 116 LYS N N 15 0.8489 0.0180 0.0000e+00 0.0000e+00 . . . . 0.0000 0.0000 2.8675e+00 1 1.0000 0.0000 . . . . . . . 1 115 LYS . 15230 1 72 . 1 1 117 117 ALA N N 15 0.6998 0.0000 1.3031e-09 1.7165e-10 . . . . 0.0000 0.0000 0.0000e+00 5 0.8542 0.0172 0.8192 0.0191 . . . . . 1 116 ALA . 15230 1 73 . 1 1 118 118 GLU N N 15 0.7475 0.0000 1.4375e-09 2.8313e-10 . . . . 0.0000 0.0000 0.0000e+00 5 0.8913 0.0172 0.8387 0.0207 . . . . . 1 117 GLU . 15230 1 74 . 1 1 120 120 ASP N N 15 0.6341 0.0000 1.2123e-09 2.2504e-10 . . . . 0.0000 0.0000 0.0000e+00 5 0.7951 0.0203 0.7975 0.0323 . . . . . 1 119 ASP . 15230 1 75 . 1 1 121 121 LYS N N 15 0.6124 0.0000 1.3122e-09 1.0362e-10 . . . . 0.0000 0.0000 0.0000e+00 5 0.8088 0.0125 0.7572 0.0174 . . . . . 1 120 LYS . 15230 1 76 . 1 1 122 122 ILE N N 15 0.6577 0.0000 1.3640e-09 2.2433e-10 . . . . 0.0000 0.0000 0.0000e+00 5 0.8309 0.0255 0.7916 0.0276 . . . . . 1 121 ILE . 15230 1 77 . 1 1 124 124 LEU N N 15 0.8631 0.0180 0.0000e+00 0.0000e+00 . . . . 0.0000 0.0000 5.3934e-01 1 1.0000 0.0000 . . . . . . . 1 123 LEU . 15230 1 78 . 1 1 126 126 VAL N N 15 0.8341 0.0167 3.7249e-11 1.5088e-11 . . . . 0.0000 0.0000 4.0390e-01 2 1.0000 0.0000 . . . . . . . 1 125 VAL . 15230 1 79 . 1 1 127 127 VAL N N 15 0.8678 0.0259 0.0000e+00 0.0000e+00 . . . . 0.0000 0.0000 2.4782e-01 1 1.0000 0.0000 . . . . . . . 1 126 VAL . 15230 1 80 . 1 1 128 128 GLY N N 15 0.9006 0.0311 0.0000e+00 0.0000e+00 . . . . 0.0000 0.0000 1.4659e+00 1 1.0000 0.0000 . . . . . . . 1 127 GLY . 15230 1 81 . 1 1 129 129 ASN N N 15 0.8893 0.0236 0.0000e+00 0.0000e+00 . . . . 0.0000 0.0000 1.5417e+00 1 1.0000 0.0000 . . . . . . . 1 128 ASN . 15230 1 82 . 1 1 130 130 LYS N N 15 0.9054 0.0377 0.0000e+00 0.0000e+00 . . . . 0.0000 0.0000 1.2661e+00 1 1.0000 0.0000 . . . . . . . 1 129 LYS . 15230 1 83 . 1 1 131 131 SER N N 15 0.9176 0.0279 0.0000e+00 0.0000e+00 . . . . 0.0000 0.0000 4.8575e-01 1 1.0000 0.0000 . . . . . . . 1 130 SER . 15230 1 84 . 1 1 132 132 ASP N N 15 0.9543 0.0228 0.0000e+00 0.0000e+00 . . . . 0.0000 0.0000 6.6538e-01 1 1.0000 0.0000 . . . . . . . 1 131 ASP . 15230 1 85 . 1 1 133 133 LEU N N 15 0.9044 0.0200 0.0000e+00 0.0000e+00 . . . . 0.0000 0.0000 2.2677e-01 1 1.0000 0.0000 . . . . . . . 1 132 LEU . 15230 1 86 . 1 1 134 134 GLU N N 15 0.8170 0.0112 0.0000e+00 0.0000e+00 . . . . 0.0000 0.0000 6.1419e-01 1 1.0000 0.0000 . . . . . . . 1 133 GLU . 15230 1 87 . 1 1 135 135 GLU N N 15 0.9192 0.0232 0.0000e+00 0.0000e+00 . . . . 0.0000 0.0000 5.7601e-01 1 1.0000 0.0000 . . . . . . . 1 134 GLU . 15230 1 88 . 1 1 136 136 ARG N N 15 0.8549 0.0184 0.0000e+00 0.0000e+00 . . . . 0.0000 0.0000 1.6780e+00 1 1.0000 0.0000 . . . . . . . 1 135 ARG . 15230 1 89 . 1 1 137 137 ARG N N 15 0.9080 0.0161 0.0000e+00 0.0000e+00 . . . . 0.0000 0.0000 4.5943e+00 1 1.0000 0.0000 . . . . . . . 1 136 ARG . 15230 1 90 . 1 1 138 138 GLN N N 15 0.9859 0.0430 0.0000e+00 0.0000e+00 . . . . 0.0000 0.0000 7.6000e-01 1 1.0000 0.0000 . . . . . . . 1 137 GLN . 15230 1 91 . 1 1 139 139 VAL N N 15 0.8471 0.0324 0.0000e+00 0.0000e+00 . . . . 0.0000 0.0000 4.2757e+00 1 1.0000 0.0000 . . . . . . . 1 138 VAL . 15230 1 92 . 1 1 141 141 VAL N N 15 0.8890 0.0206 0.0000e+00 0.0000e+00 . . . . 0.0000 0.0000 8.1065e-01 1 1.0000 0.0000 . . . . . . . 1 140 VAL . 15230 1 93 . 1 1 143 143 GLU N N 15 0.8585 0.0187 0.0000e+00 0.0000e+00 . . . . 0.0000 0.0000 2.5480e+00 1 1.0000 0.0000 . . . . . . . 1 142 GLU . 15230 1 94 . 1 1 144 144 ALA N N 15 0.8979 0.0195 0.0000e+00 0.0000e+00 . . . . 0.0000 0.0000 2.3940e+00 1 1.0000 0.0000 . . . . . . . 1 143 ALA . 15230 1 95 . 1 1 145 145 ARG N N 15 0.9223 0.0152 0.0000e+00 0.0000e+00 . . . . 0.0000 0.0000 3.7017e+00 1 1.0000 0.0000 . . . . . . . 1 144 ARG . 15230 1 96 . 1 1 146 146 SER N N 15 0.9063 0.0125 0.0000e+00 0.0000e+00 . . . . 0.0000 0.0000 2.3022e+00 1 1.0000 0.0000 . . . . . . . 1 145 SER . 15230 1 97 . 1 1 147 147 LYS N N 15 0.9273 0.0144 0.0000e+00 0.0000e+00 . . . . 0.0000 0.0000 3.3855e+00 1 1.0000 0.0000 . . . . . . . 1 146 LYS . 15230 1 98 . 1 1 148 148 ALA N N 15 0.9194 0.0153 0.0000e+00 0.0000e+00 . . . . 0.0000 0.0000 9.0675e-01 1 1.0000 0.0000 . . . . . . . 1 147 ALA . 15230 1 99 . 1 1 149 149 GLU N N 15 0.9080 0.0136 0.0000e+00 0.0000e+00 . . . . 0.0000 0.0000 5.1816e+00 1 1.0000 0.0000 . . . . . . . 1 148 GLU . 15230 1 100 . 1 1 150 150 GLU N N 15 0.8843 0.0140 0.0000e+00 0.0000e+00 . . . . 0.0000 0.0000 5.2635e+00 1 1.0000 0.0000 . . . . . . . 1 149 GLU . 15230 1 101 . 1 1 152 152 GLY N N 15 0.8834 0.0209 0.0000e+00 0.0000e+00 . . . . 0.0000 0.0000 2.1076e+00 1 1.0000 0.0000 . . . . . . . 1 151 GLY . 15230 1 102 . 1 1 153 153 VAL N N 15 0.8797 0.0153 0.0000e+00 0.0000e+00 . . . . 0.0000 0.0000 3.6590e-01 1 1.0000 0.0000 . . . . . . . 1 152 VAL . 15230 1 103 . 1 1 154 154 GLN N N 15 0.8538 0.0193 0.0000e+00 0.0000e+00 . . . . 0.0000 0.0000 2.8653e-01 1 1.0000 0.0000 . . . . . . . 1 153 GLN . 15230 1 104 . 1 1 156 156 VAL N N 15 0.8583 0.0184 0.0000e+00 0.0000e+00 . . . . 0.0000 0.0000 2.2442e+00 1 1.0000 0.0000 . . . . . . . 1 155 VAL . 15230 1 105 . 1 1 159 159 SER N N 15 0.8667 0.0238 0.0000e+00 0.0000e+00 . . . . 0.0000 0.0000 1.0750e+00 1 1.0000 0.0000 . . . . . . . 1 158 SER . 15230 1 106 . 1 1 160 160 ALA N N 15 0.9073 0.0261 0.0000e+00 0.0000e+00 . . . . 0.0000 0.0000 3.7091e-01 1 1.0000 0.0000 . . . . . . . 1 159 ALA . 15230 1 107 . 1 1 161 161 LYS N N 15 0.8908 0.0257 0.0000e+00 0.0000e+00 . . . . 0.0000 0.0000 4.0102e+00 1 1.0000 0.0000 . . . . . . . 1 160 LYS . 15230 1 108 . 1 1 162 162 THR N N 15 0.8534 0.0260 0.0000e+00 0.0000e+00 . . . . 0.0000 0.0000 5.2875e-01 1 1.0000 0.0000 . . . . . . . 1 161 THR . 15230 1 109 . 1 1 163 163 ARG N N 15 0.9484 0.0231 0.0000e+00 0.0000e+00 . . . . 0.0000 0.0000 8.7098e-01 1 1.0000 0.0000 . . . . . . . 1 162 ARG . 15230 1 110 . 1 1 164 164 ALA N N 15 0.7792 0.0121 0.0000e+00 0.0000e+00 . . . . 0.0000 0.0000 2.8124e-01 1 1.0000 0.0000 . . . . . . . 1 163 ALA . 15230 1 111 . 1 1 165 165 ASN N N 15 0.8032 0.0000 4.9825e-09 4.3765e-09 . . . . 0.0000 0.0000 0.0000e+00 5 0.8908 0.0274 0.9016 0.0557 . . . . . 1 164 ASN . 15230 1 112 . 1 1 166 166 VAL N N 15 0.9226 0.0174 0.0000e+00 0.0000e+00 . . . . 0.0000 0.0000 1.8130e-01 1 1.0000 0.0000 . . . . . . . 1 165 VAL . 15230 1 113 . 1 1 167 167 ASP N N 15 0.8658 0.0142 0.0000e+00 0.0000e+00 . . . . 0.0000 0.0000 1.9893e+00 1 1.0000 0.0000 . . . . . . . 1 166 ASP . 15230 1 114 . 1 1 168 168 LYS N N 15 0.8955 0.0155 0.0000e+00 0.0000e+00 . . . . 0.0000 0.0000 5.0725e-02 1 1.0000 0.0000 . . . . . . . 1 167 LYS . 15230 1 115 . 1 1 169 169 VAL N N 15 0.8998 0.0179 0.0000e+00 0.0000e+00 . . . . 0.0000 0.0000 2.6930e+00 1 1.0000 0.0000 . . . . . . . 1 168 VAL . 15230 1 116 . 1 1 170 170 PHE N N 15 0.8733 0.0237 0.0000e+00 0.0000e+00 . . . . 0.0000 0.0000 2.5951e+00 1 1.0000 0.0000 . . . . . . . 1 169 PHE . 15230 1 117 . 1 1 171 171 PHE N N 15 0.8985 0.0222 0.0000e+00 0.0000e+00 . . . . 0.0000 0.0000 6.8577e-01 1 1.0000 0.0000 . . . . . . . 1 170 PHE . 15230 1 118 . 1 1 172 172 ASP N N 15 0.9343 0.0191 0.0000e+00 0.0000e+00 . . . . 0.0000 0.0000 2.9919e+00 1 1.0000 0.0000 . . . . . . . 1 171 ASP . 15230 1 119 . 1 1 173 173 LEU N N 15 0.9094 0.0184 0.0000e+00 0.0000e+00 . . . . 0.0000 0.0000 2.5442e-01 1 1.0000 0.0000 . . . . . . . 1 172 LEU . 15230 1 120 . 1 1 174 174 MET N N 15 0.9112 0.0166 0.0000e+00 0.0000e+00 . . . . 0.0000 0.0000 3.1917e-01 1 1.0000 0.0000 . . . . . . . 1 173 MET . 15230 1 121 . 1 1 176 176 GLU N N 15 0.9030 0.0156 0.0000e+00 0.0000e+00 . . . . 0.0000 0.0000 8.1004e-01 1 1.0000 0.0000 . . . . . . . 1 175 GLU . 15230 1 122 . 1 1 177 177 ILE N N 15 0.8999 0.0273 0.0000e+00 0.0000e+00 . . . . 0.0000 0.0000 2.2405e-01 1 1.0000 0.0000 . . . . . . . 1 176 ILE . 15230 1 123 . 1 1 179 179 THR N N 15 0.9215 0.0183 0.0000e+00 0.0000e+00 . . . . 0.0000 0.0000 2.5677e+00 1 1.0000 0.0000 . . . . . . . 1 178 THR . 15230 1 124 . 1 1 180 180 LYS N N 15 0.8976 0.0189 0.0000e+00 0.0000e+00 . . . . 0.0000 0.0000 2.0360e+00 1 1.0000 0.0000 . . . . . . . 1 179 LYS . 15230 1 125 . 1 1 181 181 LYS N N 15 0.9177 0.0282 0.0000e+00 0.0000e+00 . . . . 0.0000 0.0000 5.9656e-01 1 1.0000 0.0000 . . . . . . . 1 180 LYS . 15230 1 126 . 1 1 182 182 MET N N 15 0.8968 0.0185 0.0000e+00 0.0000e+00 . . . . 0.0000 0.0000 2.7298e-01 1 1.0000 0.0000 . . . . . . . 1 181 MET . 15230 1 127 . 1 1 183 183 SER N N 15 0.6959 0.0185 1.5157e-09 2.4062e-10 . . . . 0.0000 0.0000 0.0000e+00 5 0.8755 0.0150 0.7948 0.0185 . . . . . 1 182 SER . 15230 1 stop_ save_