data_17610 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 17610 _Entry.Title ; Solution structure of GppNHp-bound H-RasT35S mutant protein. ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2011-04-28 _Entry.Accession_date 2011-04-28 _Entry.Last_release_date 2011-05-10 _Entry.Original_release_date 2011-05-10 _Entry.Origination author _Entry.Format_name . _Entry.NMR_STAR_version 3.2.0.16 _Entry.Original_NMR_STAR_version 3.1 _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 . _Entry.BMRB_internal_directory_name . loop_ _Entry_author.Ordinal _Entry_author.Given_name _Entry_author.Family_name _Entry_author.First_initial _Entry_author.Middle_initials _Entry_author.Family_title _Entry_author.ORCID _Entry_author.Entry_ID 1 Mitsugu Araki . . . . 17610 stop_ loop_ _SG_project.SG_project_ID _SG_project.Project_name _SG_project.Full_name_of_center _SG_project.Initial_of_center _SG_project.Entry_ID 1 'not applicable' 'not applicable' . 17610 stop_ loop_ _Struct_keywords.Keywords _Struct_keywords.Text _Struct_keywords.Entry_ID Protein . 17610 Ras . 17610 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 17610 heteronucl_NOEs 1 17610 heteronucl_T1_relaxation 1 17610 heteronucl_T2_relaxation 1 17610 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 719 17610 '15N chemical shifts' 184 17610 '1H chemical shifts' 1177 17610 'T1 relaxation values' 130 17610 'T2 relaxation values' 130 17610 'heteronuclear NOE values' 130 17610 stop_ loop_ _Release.Release_number _Release.Format_type _Release.Format_version _Release.Date _Release.Submission_date _Release.Type _Release.Author _Release.Detail _Release.Entry_ID 2 . . 2012-05-17 2011-04-28 update BMRB 'add related entry' 17610 1 . . 2012-05-09 2011-04-28 original author 'original release' 17610 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID BMRB 18461 'H-Ras-GppNHp bound to Ras-binding domain of cRaf1' 17610 PDB 2LCF 'BMRB Entry Tracking System' 17610 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 17610 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 21930707 _Citation.Full_citation . _Citation.Title ; Solution structure of the state 1 conformer of GTP-bound H-Ras protein and distinct dynamic properties between the state 1 and state 2 conformers. ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'J. Biol. Chem.' _Citation.Journal_name_full 'The Journal of biological chemistry' _Citation.Journal_volume 286 _Citation.Journal_issue 45 _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 39644 _Citation.Page_last 39653 _Citation.Year 2011 _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 Mitsugu Araki . . . . 17610 1 2 Fumi Shima . . . . 17610 1 3 Yoko Yoshikawa . . . . 17610 1 4 Shin Muraoka . . . . 17610 1 5 Yuichi Ijiri . . . . 17610 1 6 Yuka Nagahara . . . . 17610 1 7 Tomoya Shirono . . . . 17610 1 8 Tohru Kataoka . . . . 17610 1 9 Atsuo Tamura . . . . 17610 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 17610 _Assembly.ID 1 _Assembly.Name 'GppNHp-bound H-RasT35S mutant protein' _Assembly.BMRB_code . _Assembly.Number_of_components 3 _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds . _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 'GppNHp-bound H-RasT35S mutant protein' 1 $H-RasT35S A . yes native no no . . . 17610 1 2 'PHOSPHOAMINOPHOSPHONIC ACID-GUANYLATE ESTER' 2 $GNP B . yes native no no . . . 17610 1 3 'magnesium ions' 3 $MG C . no native no no . . . 17610 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_H-RasT35S _Entity.Sf_category entity _Entity.Sf_framecode H-RasT35S _Entity.Entry_ID 17610 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name 'GppNHp-bound H-RasT35S mutant protein' _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID A _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; GPLGSDMTEYKLVVVGAGGV GKSALTIQLIQNHFVDEYDP SIEDSYRKQVVIDGETCLLD ILDTAGQEEYSAMRDQYMRT GEGFLCVFAINNTKSFEDIH QYREQIKRVKDSDDVPMVLV GNKCDLAARTVESRQAQDLA RSYGIPYIETSAKTRQGVED AFYTLVREIRQH ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states no _Entity.Ambiguous_chem_comp_sites no _Entity.Nstd_monomer no _Entity.Nstd_chirality no _Entity.Nstd_linkage no _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 172 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state . _Entity.Src_method man _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation T35S _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 18861.303 _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 -5 GLY . 17610 1 2 -4 PRO . 17610 1 3 -3 LEU . 17610 1 4 -2 GLY . 17610 1 5 -1 SER . 17610 1 6 0 ASP . 17610 1 7 1 MET . 17610 1 8 2 THR . 17610 1 9 3 GLU . 17610 1 10 4 TYR . 17610 1 11 5 LYS . 17610 1 12 6 LEU . 17610 1 13 7 VAL . 17610 1 14 8 VAL . 17610 1 15 9 VAL . 17610 1 16 10 GLY . 17610 1 17 11 ALA . 17610 1 18 12 GLY . 17610 1 19 13 GLY . 17610 1 20 14 VAL . 17610 1 21 15 GLY . 17610 1 22 16 LYS . 17610 1 23 17 SER . 17610 1 24 18 ALA . 17610 1 25 19 LEU . 17610 1 26 20 THR . 17610 1 27 21 ILE . 17610 1 28 22 GLN . 17610 1 29 23 LEU . 17610 1 30 24 ILE . 17610 1 31 25 GLN . 17610 1 32 26 ASN . 17610 1 33 27 HIS . 17610 1 34 28 PHE . 17610 1 35 29 VAL . 17610 1 36 30 ASP . 17610 1 37 31 GLU . 17610 1 38 32 TYR . 17610 1 39 33 ASP . 17610 1 40 34 PRO . 17610 1 41 35 SER . 17610 1 42 36 ILE . 17610 1 43 37 GLU . 17610 1 44 38 ASP . 17610 1 45 39 SER . 17610 1 46 40 TYR . 17610 1 47 41 ARG . 17610 1 48 42 LYS . 17610 1 49 43 GLN . 17610 1 50 44 VAL . 17610 1 51 45 VAL . 17610 1 52 46 ILE . 17610 1 53 47 ASP . 17610 1 54 48 GLY . 17610 1 55 49 GLU . 17610 1 56 50 THR . 17610 1 57 51 CYS . 17610 1 58 52 LEU . 17610 1 59 53 LEU . 17610 1 60 54 ASP . 17610 1 61 55 ILE . 17610 1 62 56 LEU . 17610 1 63 57 ASP . 17610 1 64 58 THR . 17610 1 65 59 ALA . 17610 1 66 60 GLY . 17610 1 67 61 GLN . 17610 1 68 62 GLU . 17610 1 69 63 GLU . 17610 1 70 64 TYR . 17610 1 71 65 SER . 17610 1 72 66 ALA . 17610 1 73 67 MET . 17610 1 74 68 ARG . 17610 1 75 69 ASP . 17610 1 76 70 GLN . 17610 1 77 71 TYR . 17610 1 78 72 MET . 17610 1 79 73 ARG . 17610 1 80 74 THR . 17610 1 81 75 GLY . 17610 1 82 76 GLU . 17610 1 83 77 GLY . 17610 1 84 78 PHE . 17610 1 85 79 LEU . 17610 1 86 80 CYS . 17610 1 87 81 VAL . 17610 1 88 82 PHE . 17610 1 89 83 ALA . 17610 1 90 84 ILE . 17610 1 91 85 ASN . 17610 1 92 86 ASN . 17610 1 93 87 THR . 17610 1 94 88 LYS . 17610 1 95 89 SER . 17610 1 96 90 PHE . 17610 1 97 91 GLU . 17610 1 98 92 ASP . 17610 1 99 93 ILE . 17610 1 100 94 HIS . 17610 1 101 95 GLN . 17610 1 102 96 TYR . 17610 1 103 97 ARG . 17610 1 104 98 GLU . 17610 1 105 99 GLN . 17610 1 106 100 ILE . 17610 1 107 101 LYS . 17610 1 108 102 ARG . 17610 1 109 103 VAL . 17610 1 110 104 LYS . 17610 1 111 105 ASP . 17610 1 112 106 SER . 17610 1 113 107 ASP . 17610 1 114 108 ASP . 17610 1 115 109 VAL . 17610 1 116 110 PRO . 17610 1 117 111 MET . 17610 1 118 112 VAL . 17610 1 119 113 LEU . 17610 1 120 114 VAL . 17610 1 121 115 GLY . 17610 1 122 116 ASN . 17610 1 123 117 LYS . 17610 1 124 118 CYS . 17610 1 125 119 ASP . 17610 1 126 120 LEU . 17610 1 127 121 ALA . 17610 1 128 122 ALA . 17610 1 129 123 ARG . 17610 1 130 124 THR . 17610 1 131 125 VAL . 17610 1 132 126 GLU . 17610 1 133 127 SER . 17610 1 134 128 ARG . 17610 1 135 129 GLN . 17610 1 136 130 ALA . 17610 1 137 131 GLN . 17610 1 138 132 ASP . 17610 1 139 133 LEU . 17610 1 140 134 ALA . 17610 1 141 135 ARG . 17610 1 142 136 SER . 17610 1 143 137 TYR . 17610 1 144 138 GLY . 17610 1 145 139 ILE . 17610 1 146 140 PRO . 17610 1 147 141 TYR . 17610 1 148 142 ILE . 17610 1 149 143 GLU . 17610 1 150 144 THR . 17610 1 151 145 SER . 17610 1 152 146 ALA . 17610 1 153 147 LYS . 17610 1 154 148 THR . 17610 1 155 149 ARG . 17610 1 156 150 GLN . 17610 1 157 151 GLY . 17610 1 158 152 VAL . 17610 1 159 153 GLU . 17610 1 160 154 ASP . 17610 1 161 155 ALA . 17610 1 162 156 PHE . 17610 1 163 157 TYR . 17610 1 164 158 THR . 17610 1 165 159 LEU . 17610 1 166 160 VAL . 17610 1 167 161 ARG . 17610 1 168 162 GLU . 17610 1 169 163 ILE . 17610 1 170 164 ARG . 17610 1 171 165 GLN . 17610 1 172 166 HIS . 17610 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 . GLY 1 1 17610 1 . PRO 2 2 17610 1 . LEU 3 3 17610 1 . GLY 4 4 17610 1 . SER 5 5 17610 1 . ASP 6 6 17610 1 . MET 7 7 17610 1 . THR 8 8 17610 1 . GLU 9 9 17610 1 . TYR 10 10 17610 1 . LYS 11 11 17610 1 . LEU 12 12 17610 1 . VAL 13 13 17610 1 . VAL 14 14 17610 1 . VAL 15 15 17610 1 . GLY 16 16 17610 1 . ALA 17 17 17610 1 . GLY 18 18 17610 1 . GLY 19 19 17610 1 . VAL 20 20 17610 1 . GLY 21 21 17610 1 . LYS 22 22 17610 1 . SER 23 23 17610 1 . ALA 24 24 17610 1 . LEU 25 25 17610 1 . THR 26 26 17610 1 . ILE 27 27 17610 1 . GLN 28 28 17610 1 . LEU 29 29 17610 1 . ILE 30 30 17610 1 . GLN 31 31 17610 1 . ASN 32 32 17610 1 . HIS 33 33 17610 1 . PHE 34 34 17610 1 . VAL 35 35 17610 1 . ASP 36 36 17610 1 . GLU 37 37 17610 1 . TYR 38 38 17610 1 . ASP 39 39 17610 1 . PRO 40 40 17610 1 . SER 41 41 17610 1 . ILE 42 42 17610 1 . GLU 43 43 17610 1 . ASP 44 44 17610 1 . SER 45 45 17610 1 . TYR 46 46 17610 1 . ARG 47 47 17610 1 . LYS 48 48 17610 1 . GLN 49 49 17610 1 . VAL 50 50 17610 1 . VAL 51 51 17610 1 . ILE 52 52 17610 1 . ASP 53 53 17610 1 . GLY 54 54 17610 1 . GLU 55 55 17610 1 . THR 56 56 17610 1 . CYS 57 57 17610 1 . LEU 58 58 17610 1 . LEU 59 59 17610 1 . ASP 60 60 17610 1 . ILE 61 61 17610 1 . LEU 62 62 17610 1 . ASP 63 63 17610 1 . THR 64 64 17610 1 . ALA 65 65 17610 1 . GLY 66 66 17610 1 . GLN 67 67 17610 1 . GLU 68 68 17610 1 . GLU 69 69 17610 1 . TYR 70 70 17610 1 . SER 71 71 17610 1 . ALA 72 72 17610 1 . MET 73 73 17610 1 . ARG 74 74 17610 1 . ASP 75 75 17610 1 . GLN 76 76 17610 1 . TYR 77 77 17610 1 . MET 78 78 17610 1 . ARG 79 79 17610 1 . THR 80 80 17610 1 . GLY 81 81 17610 1 . GLU 82 82 17610 1 . GLY 83 83 17610 1 . PHE 84 84 17610 1 . LEU 85 85 17610 1 . CYS 86 86 17610 1 . VAL 87 87 17610 1 . PHE 88 88 17610 1 . ALA 89 89 17610 1 . ILE 90 90 17610 1 . ASN 91 91 17610 1 . ASN 92 92 17610 1 . THR 93 93 17610 1 . LYS 94 94 17610 1 . SER 95 95 17610 1 . PHE 96 96 17610 1 . GLU 97 97 17610 1 . ASP 98 98 17610 1 . ILE 99 99 17610 1 . HIS 100 100 17610 1 . GLN 101 101 17610 1 . TYR 102 102 17610 1 . ARG 103 103 17610 1 . GLU 104 104 17610 1 . GLN 105 105 17610 1 . ILE 106 106 17610 1 . LYS 107 107 17610 1 . ARG 108 108 17610 1 . VAL 109 109 17610 1 . LYS 110 110 17610 1 . ASP 111 111 17610 1 . SER 112 112 17610 1 . ASP 113 113 17610 1 . ASP 114 114 17610 1 . VAL 115 115 17610 1 . PRO 116 116 17610 1 . MET 117 117 17610 1 . VAL 118 118 17610 1 . LEU 119 119 17610 1 . VAL 120 120 17610 1 . GLY 121 121 17610 1 . ASN 122 122 17610 1 . LYS 123 123 17610 1 . CYS 124 124 17610 1 . ASP 125 125 17610 1 . LEU 126 126 17610 1 . ALA 127 127 17610 1 . ALA 128 128 17610 1 . ARG 129 129 17610 1 . THR 130 130 17610 1 . VAL 131 131 17610 1 . GLU 132 132 17610 1 . SER 133 133 17610 1 . ARG 134 134 17610 1 . GLN 135 135 17610 1 . ALA 136 136 17610 1 . GLN 137 137 17610 1 . ASP 138 138 17610 1 . LEU 139 139 17610 1 . ALA 140 140 17610 1 . ARG 141 141 17610 1 . SER 142 142 17610 1 . TYR 143 143 17610 1 . GLY 144 144 17610 1 . ILE 145 145 17610 1 . PRO 146 146 17610 1 . TYR 147 147 17610 1 . ILE 148 148 17610 1 . GLU 149 149 17610 1 . THR 150 150 17610 1 . SER 151 151 17610 1 . ALA 152 152 17610 1 . LYS 153 153 17610 1 . THR 154 154 17610 1 . ARG 155 155 17610 1 . GLN 156 156 17610 1 . GLY 157 157 17610 1 . VAL 158 158 17610 1 . GLU 159 159 17610 1 . ASP 160 160 17610 1 . ALA 161 161 17610 1 . PHE 162 162 17610 1 . TYR 163 163 17610 1 . THR 164 164 17610 1 . LEU 165 165 17610 1 . VAL 166 166 17610 1 . ARG 167 167 17610 1 . GLU 168 168 17610 1 . ILE 169 169 17610 1 . ARG 170 170 17610 1 . GLN 171 171 17610 1 . HIS 172 172 17610 1 stop_ save_ save_GNP _Entity.Sf_category entity _Entity.Sf_framecode GNP _Entity.Entry_ID 17610 _Entity.ID 2 _Entity.BMRB_code GNP _Entity.Name 'PHOSPHOAMINOPHOSPHONIC ACID-GUANYLATE ESTER' _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 no _Entity.Ambiguous_chem_comp_sites no _Entity.Nstd_monomer . _Entity.Nstd_chirality no _Entity.Nstd_linkage no _Entity.Nonpolymer_comp_ID GNP _Entity.Nonpolymer_comp_label $chem_comp_GNP _Entity.Number_of_monomers . _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'not present' _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 1 219 GNP . 17610 2 stop_ save_ save_MG _Entity.Sf_category entity _Entity.Sf_framecode MG _Entity.Entry_ID 17610 _Entity.ID 3 _Entity.BMRB_code MG _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 no _Entity.Ambiguous_chem_comp_sites no _Entity.Nstd_monomer . _Entity.Nstd_chirality no _Entity.Nstd_linkage no _Entity.Nonpolymer_comp_ID 3 _Entity.Nonpolymer_comp_label $chem_comp_MG _Entity.Number_of_monomers . _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'not present' _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 . 17610 3 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 17610 _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 $H-RasT35S . 9606 organism . 'Homo sapiens' human . . Eukaryota Metazoa Homo sapiens . . . . . . . . . . . . . 17610 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 17610 _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 $H-RasT35S . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli . . . . . . pGEX-6P . . . 17610 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 17610 _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 no _Chem_comp.Initial_date 1999-07-08 _Chem_comp.Modified_date 2008-10-14 _Chem_comp.Release_status REL _Chem_comp.Replaced_by . _Chem_comp.Replaces GTN _Chem_comp.One_letter_code . _Chem_comp.Three_letter_code GNP _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 no _Chem_comp.Aromatic yes _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 no _Chem_comp.Ideal_coordinates_details . _Chem_comp.Ideal_coordinates_missing_flag no _Chem_comp.Model_coordinates_db_code 1CTQ _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=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/f/h14-15,20-21,23,25H,11H2 ; InChI InChI 1.02b 17610 GNP NC1=Nc2n(cnc2C(=O)N1)[C@@H]3O[C@H](CO[P@@](O)(=O)O[P@@](O)(=O)N[P](O)(O)=O)[C@@H](O)[C@H]3O SMILES_CANONICAL CACTVS 3.341 17610 GNP NC1=Nc2n(cnc2C(=O)N1)[CH]3O[CH](CO[P](O)(=O)O[P](O)(=O)N[P](O)(O)=O)[CH](O)[CH]3O SMILES CACTVS 3.341 17610 GNP O=P(O)(O)NP(=O)(O)OP(=O)(O)OCC3OC(n2cnc1c2N=C(N)NC1=O)C(O)C3O SMILES ACDLabs 10.04 17610 GNP UQABYHGXWYXDTK-SADWDOFADT InChIKey InChI 1.02b 17610 GNP c1nc2c(n1C3C(C(C(O3)COP(=O)(O)OP(=O)(NP(=O)(O)O)O)O)O)N=C(NC2=O)N SMILES 'OpenEye OEToolkits' 1.5.0 17610 GNP c1nc2c(n1[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=C(NC2=O)N SMILES_CANONICAL 'OpenEye OEToolkits' 1.5.0 17610 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 5'-O-[(S)-hydroxy{[(R)-hydroxy(phosphonoamino)phosphoryl]oxy}phosphoryl]guanosine 'SYSTEMATIC NAME' ACDLabs 10.04 17610 GNP ; [[[[(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 OEToolkits' 1.5.0 17610 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 PG . PG . . P . . N 0 . . . . no no . . . . 4.935 . 31.507 . 21.691 . -1.231 -0.295 7.212 1 . 17610 GNP O1G . O1G . . O . . N 0 . . . . no no . . . . 4.899 . 32.144 . 23.047 . -1.759 1.078 7.063 2 . 17610 GNP O2G . O2G . . O . . N 0 . . . . no no . . . . 4.129 . 32.343 . 20.710 . -2.158 -1.118 8.240 3 . 17610 GNP O3G . O3G . . O . . N 0 . . . . no no . . . . 4.556 . 30.076 . 21.650 . 0.274 -0.234 7.778 4 . 17610 GNP N3B . N3B . . N . . N 0 . . . . no no . . . . 6.611 . 31.682 . 21.302 . -1.236 -1.064 5.714 5 . 17610 GNP PB . PB . . P . . R 0 . . . . no no . . . . 7.202 . 31.350 . 19.762 . -0.252 -0.151 4.699 6 . 17610 GNP O1B . O1B . . O . . N 0 . . . . no no . . . . 7.408 . 29.908 . 19.616 . -0.795 1.221 4.589 7 . 17610 GNP O2B . O2B . . O . . N 0 . . . . no no . . . . 6.425 . 32.127 . 18.752 . 1.237 -0.091 5.307 8 . 17610 GNP O3A . O3A . . O . . N 0 . . . . no no . . . . 8.690 . 32.006 . 19.856 . -0.209 -0.830 3.240 9 . 17610 GNP PA . PA . . P . . S 0 . . . . no no . . . . 9.197 . 33.390 . 19.367 . 0.744 0.089 2.326 10 . 17610 GNP O1A . O1A . . O . . N 0 . . . . no no . . . . 9.236 . 33.433 . 17.890 . 0.185 1.458 2.252 11 . 17610 GNP O2A . O2A . . O . . N 0 . . . . no no . . . . 8.532 . 34.468 . 20.185 . 2.216 0.145 2.974 12 . 17610 GNP O5' . O5' . . O . . N 0 . . . . no no . . . . 10.648 . 33.354 . 19.815 . 0.832 -0.534 0.845 13 . 17610 GNP C5' . C5' . . C . . N 0 . . . . no no . . . . 11.013 . 33.228 . 21.198 . 1.688 0.322 0.086 14 . 17610 GNP C4' . C4' . . C . . R 0 . . . . no no . . . . 12.433 . 33.663 . 21.389 . 1.815 -0.217 -1.339 15 . 17610 GNP O4' . O4' . . O . . N 0 . . . . no no . . . . 13.401 . 32.943 . 20.714 . 0.524 -0.237 -1.986 16 . 17610 GNP C3' . C3' . . C . . S 0 . . . . no no . . . . 12.657 . 35.142 . 20.956 . 2.674 0.734 -2.202 17 . 17610 GNP O3' . O3' . . O . . N 0 . . . . no no . . . . 13.626 . 35.786 . 21.804 . 4.018 0.258 -2.285 18 . 17610 GNP C2' . C2' . . C . . R 0 . . . . no no . . . . 13.257 . 34.966 . 19.546 . 1.997 0.695 -3.592 19 . 17610 GNP O2' . O2' . . O . . N 0 . . . . no no . . . . 14.067 . 36.035 . 19.166 . 2.904 0.196 -4.577 20 . 17610 GNP C1' . C1' . . C . . R 0 . . . . no no . . . . 14.116 . 33.758 . 19.817 . 0.808 -0.272 -3.402 21 . 17610 GNP N9 . N9 . . N . . N 0 . . . . yes no . . . . 14.351 . 32.999 . 18.572 . -0.352 0.188 -4.166 22 . 17610 GNP C8 . C8 . . C . . N 0 . . . . yes no . . . . 13.285 . 32.569 . 17.679 . -1.315 1.051 -3.730 23 . 17610 GNP N7 . N7 . . N . . N 0 . . . . yes no . . . . 13.785 . 31.834 . 16.715 . -2.196 1.240 -4.668 24 . 17610 GNP C5 . C5 . . C . . N 0 . . . . yes no . . . . 15.262 . 31.974 . 16.869 . -1.853 0.512 -5.759 25 . 17610 GNP C6 . C6 . . C . . N 0 . . . . yes no . . . . 16.309 . 31.355 . 16.084 . -2.423 0.330 -7.041 26 . 17610 GNP O6 . O6 . . O . . N 0 . . . . no no . . . . 16.242 . 30.767 . 15.067 . -3.453 0.902 -7.354 27 . 17610 GNP N1 . N1 . . N . . N 0 . . . . yes no . . . . 17.523 . 31.709 . 16.581 . -1.794 -0.489 -7.912 28 . 17610 GNP C2 . C2 . . C . . N 0 . . . . yes no . . . . 17.576 . 32.330 . 17.793 . -0.646 -1.129 -7.549 29 . 17610 GNP N2 . N2 . . N . . N 0 . . . . no no . . . . 18.953 . 32.527 . 18.141 . -0.033 -1.960 -8.453 30 . 17610 GNP N3 . N3 . . N . . N 0 . . . . yes no . . . . 16.717 . 32.788 . 18.612 . -0.107 -0.968 -6.361 31 . 17610 GNP C4 . C4 . . C . . N 0 . . . . yes no . . . . 15.526 . 32.598 . 18.035 . -0.670 -0.168 -5.449 32 . 17610 GNP HOG2 . HOG2 . . H . . N 0 . . . . no no . . . . 4.151 . 31.939 . 19.850 . -2.127 -0.645 9.083 33 . 17610 GNP HOG3 . HOG3 . . H . . N 0 . . . . no no . . . . 4.578 . 29.672 . 20.790 . 0.579 -1.147 7.860 34 . 17610 GNP HNB3 . HNB3 . . H . . N 0 . . . . no no . . . . 7.146 . 31.125 . 21.968 . -2.175 -0.988 5.353 35 . 17610 GNP HOB2 . HOB2 . . H . . N 0 . . . . no no . . . . 6.758 . 31.939 . 17.882 . 1.553 -1.004 5.362 36 . 17610 GNP HOA2 . HOA2 . . H . . N 0 . . . . no no . . . . 8.842 . 35.314 . 19.885 . 2.543 -0.764 3.004 37 . 17610 GNP H5'2 . H5'2 . . H . . N 0 . . . . no no . . . . 10.312 . 33.778 . 21.868 . 1.265 1.326 0.058 38 . 17610 GNP H5'1 . H5'1 . . H . . N 0 . . . . no no . . . . 10.833 . 32.198 . 21.586 . 2.673 0.356 0.551 39 . 17610 GNP H4' . H4' . . H . . N 0 . . . . no no . . . . 12.560 . 33.493 . 22.483 . 2.251 -1.216 -1.329 40 . 17610 GNP H3' . H3' . . H . . N 0 . . . . no no . . . . 11.732 . 35.763 . 21.003 . 2.652 1.744 -1.793 41 . 17610 GNP HO3' . HO3' . . H . . N 0 . . . . no no . . . . 13.762 . 36.688 . 21.539 . 4.505 0.889 -2.833 42 . 17610 GNP H2' . H2' . . H . . N 0 . . . . no no . . . . 12.500 . 34.887 . 18.730 . 1.639 1.686 -3.871 43 . 17610 GNP HO2' . HO2' . . H . . N 0 . . . . no no . . . . 14.436 . 35.926 . 18.297 . 3.651 0.810 -4.606 44 . 17610 GNP H1' . H1' . . H . . N 0 . . . . no no . . . . 15.102 . 34.070 . 20.230 . 1.087 -1.281 -3.708 45 . 17610 GNP H8 . H8 . . H . . N 0 . . . . no no . . . . 12.203 . 32.779 . 17.728 . -1.341 1.509 -2.752 46 . 17610 GNP HN1 . HN1 . . H . . N 0 . . . . no no . . . . 18.375 . 31.513 . 16.056 . -2.166 -0.630 -8.797 47 . 17610 GNP HN21 . HN21 . . H . . N 0 . . . . no no . . . . 18.992 . 32.991 . 19.048 . 0.786 -2.419 -8.210 48 . 17610 GNP HN22 . HN22 . . H . . N 0 . . . . no no . . . . 19.471 . 33.029 . 17.420 . -0.421 -2.092 -9.332 49 . 17610 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 no N 1 . 17610 GNP 2 . SING PG O2G no N 2 . 17610 GNP 3 . SING PG O3G no N 3 . 17610 GNP 4 . SING PG N3B no N 4 . 17610 GNP 5 . SING O2G HOG2 no N 5 . 17610 GNP 6 . SING O3G HOG3 no N 6 . 17610 GNP 7 . SING N3B PB no N 7 . 17610 GNP 8 . SING N3B HNB3 no N 8 . 17610 GNP 9 . DOUB PB O1B no N 9 . 17610 GNP 10 . SING PB O2B no N 10 . 17610 GNP 11 . SING PB O3A no N 11 . 17610 GNP 12 . SING O2B HOB2 no N 12 . 17610 GNP 13 . SING O3A PA no N 13 . 17610 GNP 14 . DOUB PA O1A no N 14 . 17610 GNP 15 . SING PA O2A no N 15 . 17610 GNP 16 . SING PA O5' no N 16 . 17610 GNP 17 . SING O2A HOA2 no N 17 . 17610 GNP 18 . SING O5' C5' no N 18 . 17610 GNP 19 . SING C5' C4' no N 19 . 17610 GNP 20 . SING C5' H5'2 no N 20 . 17610 GNP 21 . SING C5' H5'1 no N 21 . 17610 GNP 22 . SING C4' O4' no N 22 . 17610 GNP 23 . SING C4' C3' no N 23 . 17610 GNP 24 . SING C4' H4' no N 24 . 17610 GNP 25 . SING O4' C1' no N 25 . 17610 GNP 26 . SING C3' O3' no N 26 . 17610 GNP 27 . SING C3' C2' no N 27 . 17610 GNP 28 . SING C3' H3' no N 28 . 17610 GNP 29 . SING O3' HO3' no N 29 . 17610 GNP 30 . SING C2' O2' no N 30 . 17610 GNP 31 . SING C2' C1' no N 31 . 17610 GNP 32 . SING C2' H2' no N 32 . 17610 GNP 33 . SING O2' HO2' no N 33 . 17610 GNP 34 . SING C1' N9 no N 34 . 17610 GNP 35 . SING C1' H1' no N 35 . 17610 GNP 36 . SING N9 C8 yes N 36 . 17610 GNP 37 . SING N9 C4 yes N 37 . 17610 GNP 38 . DOUB C8 N7 yes N 38 . 17610 GNP 39 . SING C8 H8 no N 39 . 17610 GNP 40 . SING N7 C5 yes N 40 . 17610 GNP 41 . SING C5 C6 yes N 41 . 17610 GNP 42 . DOUB C5 C4 yes N 42 . 17610 GNP 43 . DOUB C6 O6 no N 43 . 17610 GNP 44 . SING C6 N1 yes N 44 . 17610 GNP 45 . SING N1 C2 yes N 45 . 17610 GNP 46 . SING N1 HN1 no N 46 . 17610 GNP 47 . SING C2 N2 no N 47 . 17610 GNP 48 . DOUB C2 N3 yes N 48 . 17610 GNP 49 . SING N2 HN21 no N 49 . 17610 GNP 50 . SING N2 HN22 no N 50 . 17610 GNP 51 . SING N3 C4 yes N 51 . 17610 GNP stop_ save_ save_chem_comp_MG _Chem_comp.Sf_category chem_comp _Chem_comp.Sf_framecode chem_comp_MG _Chem_comp.Entry_ID 17610 _Chem_comp.ID 3 _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 no _Chem_comp.Initial_date 1999-07-08 _Chem_comp.Modified_date 2008-12-05 _Chem_comp.Release_status REL _Chem_comp.Replaced_by . _Chem_comp.Replaces . _Chem_comp.One_letter_code . _Chem_comp.Three_letter_code MG _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 no _Chem_comp.Aromatic no _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 no _Chem_comp.Ideal_coordinates_details . _Chem_comp.Ideal_coordinates_missing_flag no _Chem_comp.Model_coordinates_db_code . _Chem_comp.Processing_site PDBJ _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=1/Mg/q+2 InChI InChI 1.02b 17610 3 JLVVSXFLKOJNIY-UHFFFAOYAC InChIKey InChI 1.02b 17610 3 [Mg++] SMILES CACTVS 3.341 17610 3 [Mg++] SMILES_CANONICAL CACTVS 3.341 17610 3 [Mg+2] SMILES ACDLabs 10.04 17610 3 [Mg+2] SMILES 'OpenEye OEToolkits' 1.5.0 17610 3 [Mg+2] SMILES_CANONICAL 'OpenEye OEToolkits' 1.5.0 17610 3 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 'SYSTEMATIC NAME' ACDLabs 10.04 17610 3 'magnesium(+2) cation' 'SYSTEMATIC NAME' 'OpenEye OEToolkits' 1.5.0 17610 3 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 . . . . 0.000 . 0.000 . 0.000 . 0.000 0.000 0.000 1 . 17610 3 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 17610 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '90% H2O/10% D2O' _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 'GppNHp-bound H-RasT35S mutant protein' '[U-98% 13C; U-98% 15N]' . . 1 $H-RasT35S . . . 1 2 mM . . . . 17610 1 2 'PHOSPHOAMINOPHOSPHONIC ACID-GUANYLATE ESTER' 'natural abundance' . . 2 $GNP . . . 1 2 mM . . . . 17610 1 3 'magnesium ions' 'natural abundance' . . 3 $MG . . 10 . . mM . . . . 17610 1 4 'sodium chloride' 'natural abundance' . . . . . . 150 . . mM . . . . 17610 1 5 'sodium phosphate' 'natural abundance' . . . . . . 25 . . mM . . . . 17610 1 6 H20 'natural abundance' . . . . . . 90 . . % . . . . 17610 1 7 D2O 'natural abundance' . . . . . . 10 . . % . . . . 17610 1 stop_ save_ save_sample_2 _Sample.Sf_category sample _Sample.Sf_framecode sample_2 _Sample.Entry_ID 17610 _Sample.ID 2 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '90% H2O/10% D2O' _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 'GppNHp-bound H-RasT35S mutant protein' '[U-98% 13C; U-98% 15N]' . . 1 $H-RasT35S . . . 1 2 mM . . . . 17610 2 2 'PHOSPHOAMINOPHOSPHONIC ACID-GUANYLATE ESTER' 'natural abundance' . . 2 $GNP . . . 1 2 mM . . . . 17610 2 3 'magnesium ions' 'natural abundance' . . 3 $MG . . 10 . . mM . . . . 17610 2 4 'sodium chloride' 'natural abundance' . . . . . . 150 . . mM . . . . 17610 2 5 'sodium phosphate' 'natural abundance' . . . . . . 25 . . mM . . . . 17610 2 6 H20 'natural abundance' . . . . . . 90 . . % . . . . 17610 2 7 D2O 'natural abundance' . . . . . . 10 . . % . . . . 17610 2 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 17610 _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' 0.24 . M 17610 1 pH 6.8 . pH 17610 1 pressure 1 . atm 17610 1 temperature 298 . K 17610 1 stop_ save_ ############################ # Computer software used # ############################ save_CYANA _Software.Sf_category software _Software.Sf_framecode CYANA _Software.Entry_ID 17610 _Software.ID 1 _Software.Type . _Software.Name CYANA _Software.Version 2.1 _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Guntert, Mumenthaler and Wuthrich' . . 17610 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'structure solution' 17610 1 stop_ save_ save_CNS _Software.Sf_category software _Software.Sf_framecode CNS _Software.Entry_ID 17610 _Software.ID 2 _Software.Type . _Software.Name CNS _Software.Version 1.2 _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Brunger, Adams, Clore, Gros, Nilges and Read' . . 17610 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID refinement 17610 2 stop_ save_ save_NMRPipe _Software.Sf_category software _Software.Sf_framecode NMRPipe _Software.Entry_ID 17610 _Software.ID 3 _Software.Type . _Software.Name NMRPipe _Software.Version . _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax' . . 17610 3 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID processing 17610 3 stop_ save_ save_SPARKY _Software.Sf_category software _Software.Sf_framecode SPARKY _Software.Entry_ID 17610 _Software.ID 4 _Software.Type . _Software.Name SPARKY _Software.Version . _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID Goddard . . 17610 4 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'peak picking' 17610 4 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 17610 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model DMX _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 750 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 17610 _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 DMX . 750 . . . 17610 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 17610 _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-13C HSQC' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17610 1 2 '3D CBCA(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17610 1 3 '3D HNCO' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17610 1 4 '3D HNCA' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17610 1 5 '3D HBHA(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17610 1 6 '3D HN(CO)CA' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17610 1 7 '3D H(CCO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17610 1 8 '3D HCCH-TOCSY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17610 1 9 '3D 1H-13C NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17610 1 10 '3D HCCH-COSY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17610 1 11 '2D 1H-15N HSQC' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17610 1 12 '3D 1H-15N NOESY' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17610 1 13 '3D 1H-15N TOCSY' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17610 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 17610 _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 TSP 'methyl protons' . . . . ppm 0.00 external indirect 0.251449530 . . . . . 17610 1 H 1 TSP 'methyl protons' . . . . ppm 0.00 external indirect 1.000000000 . . . . . 17610 1 N 15 TSP 'methyl protons' . . . . ppm 0.00 external indirect 0.101329118 . . . . . 17610 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 17610 _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-13C HSQC' . . . 17610 1 2 '3D CBCA(CO)NH' . . . 17610 1 3 '3D HNCO' . . . 17610 1 4 '3D HNCA' . . . 17610 1 5 '3D HBHA(CO)NH' . . . 17610 1 6 '3D HN(CO)CA' . . . 17610 1 7 '3D H(CCO)NH' . . . 17610 1 8 '3D HCCH-TOCSY' . . . 17610 1 9 '3D 1H-13C NOESY' . . . 17610 1 10 '3D HCCH-COSY' . . . 17610 1 11 '2D 1H-15N HSQC' . . . 17610 1 12 '3D 1H-15N NOESY' . . . 17610 1 13 '3D 1H-15N TOCSY' . . . 17610 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 7 7 MET H H 1 8.066 0.003 . 1 . . . . . 1 MET H . 17610 1 2 . 1 1 7 7 MET HA H 1 4.486 0.006 . 1 . . . . . 1 MET HA . 17610 1 3 . 1 1 7 7 MET HB2 H 1 1.910 0.006 . 2 . . . . . 1 MET HB . 17610 1 4 . 1 1 7 7 MET HB3 H 1 1.910 0.006 . 2 . . . . . 1 MET HB . 17610 1 5 . 1 1 7 7 MET HG2 H 1 2.314 0.004 . 2 . . . . . 1 MET HG2 . 17610 1 6 . 1 1 7 7 MET HG3 H 1 2.375 0.004 . 2 . . . . . 1 MET HG3 . 17610 1 7 . 1 1 7 7 MET HE1 H 1 1.962 0.001 . 2 . . . . . 1 MET HE . 17610 1 8 . 1 1 7 7 MET HE2 H 1 1.962 0.001 . 2 . . . . . 1 MET HE . 17610 1 9 . 1 1 7 7 MET HE3 H 1 1.962 0.001 . 2 . . . . . 1 MET HE . 17610 1 10 . 1 1 7 7 MET C C 13 175.134 0.000 . 1 . . . . . 1 MET C . 17610 1 11 . 1 1 7 7 MET CA C 13 55.305 0.130 . 1 . . . . . 1 MET CA . 17610 1 12 . 1 1 7 7 MET CB C 13 34.300 0.043 . 1 . . . . . 1 MET CB . 17610 1 13 . 1 1 7 7 MET CG C 13 31.099 0.110 . 1 . . . . . 1 MET CG . 17610 1 14 . 1 1 7 7 MET CE C 13 16.651 0.035 . 1 . . . . . 1 MET CE . 17610 1 15 . 1 1 7 7 MET N N 15 121.299 0.055 . 1 . . . . . 1 MET N . 17610 1 16 . 1 1 8 8 THR H H 1 8.667 0.004 . 1 . . . . . 2 THR H . 17610 1 17 . 1 1 8 8 THR HA H 1 3.983 0.004 . 1 . . . . . 2 THR HA . 17610 1 18 . 1 1 8 8 THR HB H 1 3.821 0.003 . 1 . . . . . 2 THR HB . 17610 1 19 . 1 1 8 8 THR HG21 H 1 0.690 0.003 . 2 . . . . . 2 THR HG2 . 17610 1 20 . 1 1 8 8 THR HG22 H 1 0.690 0.003 . 2 . . . . . 2 THR HG2 . 17610 1 21 . 1 1 8 8 THR HG23 H 1 0.690 0.003 . 2 . . . . . 2 THR HG2 . 17610 1 22 . 1 1 8 8 THR C C 13 171.971 0.000 . 1 . . . . . 2 THR C . 17610 1 23 . 1 1 8 8 THR CA C 13 63.551 0.053 . 1 . . . . . 2 THR CA . 17610 1 24 . 1 1 8 8 THR CB C 13 69.619 0.034 . 1 . . . . . 2 THR CB . 17610 1 25 . 1 1 8 8 THR CG2 C 13 21.729 0.065 . 1 . . . . . 2 THR CG2 . 17610 1 26 . 1 1 8 8 THR N N 15 124.188 0.053 . 1 . . . . . 2 THR N . 17610 1 27 . 1 1 9 9 GLU H H 1 8.316 0.005 . 1 . . . . . 3 GLU H . 17610 1 28 . 1 1 9 9 GLU HA H 1 5.280 0.006 . 1 . . . . . 3 GLU HA . 17610 1 29 . 1 1 9 9 GLU HB2 H 1 1.789 0.002 . 2 . . . . . 3 GLU HB2 . 17610 1 30 . 1 1 9 9 GLU HB3 H 1 1.861 0.003 . 2 . . . . . 3 GLU HB3 . 17610 1 31 . 1 1 9 9 GLU HG2 H 1 1.964 0.005 . 2 . . . . . 3 GLU HG2 . 17610 1 32 . 1 1 9 9 GLU HG3 H 1 2.157 0.006 . 2 . . . . . 3 GLU HG3 . 17610 1 33 . 1 1 9 9 GLU C C 13 175.089 0.000 . 1 . . . . . 3 GLU C . 17610 1 34 . 1 1 9 9 GLU CA C 13 53.636 0.055 . 1 . . . . . 3 GLU CA . 17610 1 35 . 1 1 9 9 GLU CB C 13 32.029 0.085 . 1 . . . . . 3 GLU CB . 17610 1 36 . 1 1 9 9 GLU CG C 13 36.376 0.082 . 1 . . . . . 3 GLU CG . 17610 1 37 . 1 1 9 9 GLU N N 15 127.895 0.049 . 1 . . . . . 3 GLU N . 17610 1 38 . 1 1 10 10 TYR H H 1 8.739 0.011 . 1 . . . . . 4 TYR H . 17610 1 39 . 1 1 10 10 TYR HA H 1 5.131 0.007 . 1 . . . . . 4 TYR HA . 17610 1 40 . 1 1 10 10 TYR HB2 H 1 2.596 0.007 . 2 . . . . . 4 TYR HB2 . 17610 1 41 . 1 1 10 10 TYR HB3 H 1 2.656 0.007 . 2 . . . . . 4 TYR HB3 . 17610 1 42 . 1 1 10 10 TYR HD1 H 1 6.912 0.004 . 3 . . . . . 4 TYR HD . 17610 1 43 . 1 1 10 10 TYR HD2 H 1 6.912 0.004 . 3 . . . . . 4 TYR HD . 17610 1 44 . 1 1 10 10 TYR HE1 H 1 6.689 0.011 . 3 . . . . . 4 TYR HE . 17610 1 45 . 1 1 10 10 TYR HE2 H 1 6.689 0.011 . 3 . . . . . 4 TYR HE . 17610 1 46 . 1 1 10 10 TYR C C 13 174.621 0.000 . 1 . . . . . 4 TYR C . 17610 1 47 . 1 1 10 10 TYR CA C 13 56.649 0.029 . 1 . . . . . 4 TYR CA . 17610 1 48 . 1 1 10 10 TYR CB C 13 41.323 0.000 . 1 . . . . . 4 TYR CB . 17610 1 49 . 1 1 10 10 TYR CD1 C 13 132.848 0.084 . 3 . . . . . 4 TYR CD . 17610 1 50 . 1 1 10 10 TYR CD2 C 13 132.848 0.084 . 3 . . . . . 4 TYR CD . 17610 1 51 . 1 1 10 10 TYR CE1 C 13 117.965 0.147 . 3 . . . . . 4 TYR CE . 17610 1 52 . 1 1 10 10 TYR CE2 C 13 117.965 0.147 . 3 . . . . . 4 TYR CE . 17610 1 53 . 1 1 10 10 TYR N N 15 123.375 0.072 . 1 . . . . . 4 TYR N . 17610 1 54 . 1 1 11 11 LYS H H 1 9.142 0.007 . 1 . . . . . 5 LYS H . 17610 1 55 . 1 1 11 11 LYS HA H 1 5.168 0.007 . 1 . . . . . 5 LYS HA . 17610 1 56 . 1 1 11 11 LYS HB2 H 1 1.800 0.006 . 2 . . . . . 5 LYS HB2 . 17610 1 57 . 1 1 11 11 LYS HB3 H 1 1.916 0.008 . 2 . . . . . 5 LYS HB3 . 17610 1 58 . 1 1 11 11 LYS HG2 H 1 1.414 0.006 . 2 . . . . . 5 LYS HG2 . 17610 1 59 . 1 1 11 11 LYS HG3 H 1 1.469 0.001 . 2 . . . . . 5 LYS HG3 . 17610 1 60 . 1 1 11 11 LYS HD2 H 1 1.615 0.005 . 2 . . . . . 5 LYS HD . 17610 1 61 . 1 1 11 11 LYS HD3 H 1 1.615 0.005 . 2 . . . . . 5 LYS HD . 17610 1 62 . 1 1 11 11 LYS HE2 H 1 2.901 0.006 . 2 . . . . . 5 LYS HE . 17610 1 63 . 1 1 11 11 LYS HE3 H 1 2.901 0.006 . 2 . . . . . 5 LYS HE . 17610 1 64 . 1 1 11 11 LYS C C 13 175.291 0.000 . 1 . . . . . 5 LYS C . 17610 1 65 . 1 1 11 11 LYS CA C 13 55.145 0.148 . 1 . . . . . 5 LYS CA . 17610 1 66 . 1 1 11 11 LYS CB C 13 32.225 0.089 . 1 . . . . . 5 LYS CB . 17610 1 67 . 1 1 11 11 LYS CG C 13 24.977 0.114 . 1 . . . . . 5 LYS CG . 17610 1 68 . 1 1 11 11 LYS CD C 13 29.170 0.103 . 1 . . . . . 5 LYS CD . 17610 1 69 . 1 1 11 11 LYS CE C 13 41.881 0.107 . 1 . . . . . 5 LYS CE . 17610 1 70 . 1 1 11 11 LYS N N 15 125.147 0.072 . 1 . . . . . 5 LYS N . 17610 1 71 . 1 1 12 12 LEU H H 1 9.150 0.007 . 1 . . . . . 6 LEU H . 17610 1 72 . 1 1 12 12 LEU HA H 1 4.970 0.007 . 1 . . . . . 6 LEU HA . 17610 1 73 . 1 1 12 12 LEU HB2 H 1 1.144 0.009 . 2 . . . . . 6 LEU HB2 . 17610 1 74 . 1 1 12 12 LEU HB3 H 1 1.867 0.008 . 2 . . . . . 6 LEU HB3 . 17610 1 75 . 1 1 12 12 LEU HG H 1 1.736 0.008 . 1 . . . . . 6 LEU HG . 17610 1 76 . 1 1 12 12 LEU HD11 H 1 0.634 0.006 . 2 . . . . . 6 LEU HD1 . 17610 1 77 . 1 1 12 12 LEU HD12 H 1 0.634 0.006 . 2 . . . . . 6 LEU HD1 . 17610 1 78 . 1 1 12 12 LEU HD13 H 1 0.634 0.006 . 2 . . . . . 6 LEU HD1 . 17610 1 79 . 1 1 12 12 LEU HD21 H 1 0.965 0.005 . 2 . . . . . 6 LEU HD2 . 17610 1 80 . 1 1 12 12 LEU HD22 H 1 0.965 0.005 . 2 . . . . . 6 LEU HD2 . 17610 1 81 . 1 1 12 12 LEU HD23 H 1 0.965 0.005 . 2 . . . . . 6 LEU HD2 . 17610 1 82 . 1 1 12 12 LEU C C 13 175.298 0.000 . 1 . . . . . 6 LEU C . 17610 1 83 . 1 1 12 12 LEU CA C 13 52.743 0.079 . 1 . . . . . 6 LEU CA . 17610 1 84 . 1 1 12 12 LEU CB C 13 43.063 0.074 . 1 . . . . . 6 LEU CB . 17610 1 85 . 1 1 12 12 LEU CG C 13 26.901 0.036 . 1 . . . . . 6 LEU CG . 17610 1 86 . 1 1 12 12 LEU CD1 C 13 23.366 0.149 . 2 . . . . . 6 LEU CD1 . 17610 1 87 . 1 1 12 12 LEU CD2 C 13 26.698 0.102 . 2 . . . . . 6 LEU CD2 . 17610 1 88 . 1 1 12 12 LEU N N 15 127.306 0.070 . 1 . . . . . 6 LEU N . 17610 1 89 . 1 1 13 13 VAL H H 1 8.113 0.005 . 1 . . . . . 7 VAL H . 17610 1 90 . 1 1 13 13 VAL HA H 1 4.827 0.002 . 1 . . . . . 7 VAL HA . 17610 1 91 . 1 1 13 13 VAL HB H 1 1.758 0.006 . 1 . . . . . 7 VAL HB . 17610 1 92 . 1 1 13 13 VAL HG11 H 1 0.719 0.006 . 2 . . . . . 7 VAL HG1 . 17610 1 93 . 1 1 13 13 VAL HG12 H 1 0.719 0.006 . 2 . . . . . 7 VAL HG1 . 17610 1 94 . 1 1 13 13 VAL HG13 H 1 0.719 0.006 . 2 . . . . . 7 VAL HG1 . 17610 1 95 . 1 1 13 13 VAL HG21 H 1 0.996 0.011 . 2 . . . . . 7 VAL HG2 . 17610 1 96 . 1 1 13 13 VAL HG22 H 1 0.996 0.011 . 2 . . . . . 7 VAL HG2 . 17610 1 97 . 1 1 13 13 VAL HG23 H 1 0.996 0.011 . 2 . . . . . 7 VAL HG2 . 17610 1 98 . 1 1 13 13 VAL C C 13 174.230 0.000 . 1 . . . . . 7 VAL C . 17610 1 99 . 1 1 13 13 VAL CB C 13 34.048 0.096 . 1 . . . . . 7 VAL CB . 17610 1 100 . 1 1 13 13 VAL CG1 C 13 22.010 0.100 . 2 . . . . . 7 VAL CG1 . 17610 1 101 . 1 1 13 13 VAL CG2 C 13 22.241 0.057 . 2 . . . . . 7 VAL CG2 . 17610 1 102 . 1 1 13 13 VAL N N 15 123.170 0.154 . 1 . . . . . 7 VAL N . 17610 1 103 . 1 1 14 14 VAL H H 1 8.707 0.009 . 1 . . . . . 8 VAL H . 17610 1 104 . 1 1 14 14 VAL HA H 1 4.669 0.008 . 1 . . . . . 8 VAL HA . 17610 1 105 . 1 1 14 14 VAL HB H 1 2.276 0.004 . 1 . . . . . 8 VAL HB . 17610 1 106 . 1 1 14 14 VAL HG11 H 1 0.924 0.006 . 2 . . . . . 8 VAL HG1 . 17610 1 107 . 1 1 14 14 VAL HG12 H 1 0.924 0.006 . 2 . . . . . 8 VAL HG1 . 17610 1 108 . 1 1 14 14 VAL HG13 H 1 0.924 0.006 . 2 . . . . . 8 VAL HG1 . 17610 1 109 . 1 1 14 14 VAL HG21 H 1 0.944 0.003 . 2 . . . . . 8 VAL HG2 . 17610 1 110 . 1 1 14 14 VAL HG22 H 1 0.944 0.003 . 2 . . . . . 8 VAL HG2 . 17610 1 111 . 1 1 14 14 VAL HG23 H 1 0.944 0.003 . 2 . . . . . 8 VAL HG2 . 17610 1 112 . 1 1 14 14 VAL C C 13 175.377 0.000 . 1 . . . . . 8 VAL C . 17610 1 113 . 1 1 14 14 VAL CA C 13 61.935 0.074 . 1 . . . . . 8 VAL CA . 17610 1 114 . 1 1 14 14 VAL CB C 13 32.496 0.111 . 1 . . . . . 8 VAL CB . 17610 1 115 . 1 1 14 14 VAL CG1 C 13 22.329 0.023 . 2 . . . . . 8 VAL CG1 . 17610 1 116 . 1 1 14 14 VAL CG2 C 13 20.565 0.060 . 2 . . . . . 8 VAL CG2 . 17610 1 117 . 1 1 14 14 VAL N N 15 129.854 0.069 . 1 . . . . . 8 VAL N . 17610 1 118 . 1 1 15 15 VAL H H 1 9.107 0.004 . 1 . . . . . 9 VAL H . 17610 1 119 . 1 1 15 15 VAL HA H 1 4.616 0.003 . 1 . . . . . 9 VAL HA . 17610 1 120 . 1 1 15 15 VAL HB H 1 2.098 0.006 . 1 . . . . . 9 VAL HB . 17610 1 121 . 1 1 15 15 VAL HG11 H 1 0.876 0.008 . 2 . . . . . 9 VAL HG1 . 17610 1 122 . 1 1 15 15 VAL HG12 H 1 0.876 0.008 . 2 . . . . . 9 VAL HG1 . 17610 1 123 . 1 1 15 15 VAL HG13 H 1 0.876 0.008 . 2 . . . . . 9 VAL HG1 . 17610 1 124 . 1 1 15 15 VAL HG21 H 1 1.020 0.005 . 2 . . . . . 9 VAL HG2 . 17610 1 125 . 1 1 15 15 VAL HG22 H 1 1.020 0.005 . 2 . . . . . 9 VAL HG2 . 17610 1 126 . 1 1 15 15 VAL HG23 H 1 1.020 0.005 . 2 . . . . . 9 VAL HG2 . 17610 1 127 . 1 1 15 15 VAL C C 13 172.824 0.000 . 1 . . . . . 9 VAL C . 17610 1 128 . 1 1 15 15 VAL CA C 13 58.963 0.090 . 1 . . . . . 9 VAL CA . 17610 1 129 . 1 1 15 15 VAL CB C 13 35.405 0.123 . 1 . . . . . 9 VAL CB . 17610 1 130 . 1 1 15 15 VAL CG1 C 13 20.905 0.063 . 2 . . . . . 9 VAL CG1 . 17610 1 131 . 1 1 15 15 VAL CG2 C 13 22.282 0.038 . 2 . . . . . 9 VAL CG2 . 17610 1 132 . 1 1 15 15 VAL N N 15 121.835 0.154 . 1 . . . . . 9 VAL N . 17610 1 133 . 1 1 16 16 GLY H H 1 7.394 0.005 . 1 . . . . . 10 GLY H . 17610 1 134 . 1 1 16 16 GLY HA2 H 1 2.873 0.009 . 2 . . . . . 10 GLY HA2 . 17610 1 135 . 1 1 16 16 GLY HA3 H 1 4.660 0.008 . 2 . . . . . 10 GLY HA3 . 17610 1 136 . 1 1 16 16 GLY C C 13 172.504 0.000 . 1 . . . . . 10 GLY C . 17610 1 137 . 1 1 16 16 GLY CA C 13 43.848 0.066 . 1 . . . . . 10 GLY CA . 17610 1 138 . 1 1 16 16 GLY N N 15 109.233 0.048 . 1 . . . . . 10 GLY N . 17610 1 139 . 1 1 17 17 ALA H H 1 9.054 0.007 . 1 . . . . . 11 ALA H . 17610 1 140 . 1 1 17 17 ALA HA H 1 4.547 0.004 . 1 . . . . . 11 ALA HA . 17610 1 141 . 1 1 17 17 ALA HB1 H 1 1.625 0.003 . 1 . . . . . 11 ALA HB . 17610 1 142 . 1 1 17 17 ALA HB2 H 1 1.625 0.003 . 1 . . . . . 11 ALA HB . 17610 1 143 . 1 1 17 17 ALA HB3 H 1 1.625 0.003 . 1 . . . . . 11 ALA HB . 17610 1 144 . 1 1 17 17 ALA C C 13 177.371 0.000 . 1 . . . . . 11 ALA C . 17610 1 145 . 1 1 17 17 ALA CA C 13 52.236 0.186 . 1 . . . . . 11 ALA CA . 17610 1 146 . 1 1 17 17 ALA CB C 13 19.807 0.042 . 1 . . . . . 11 ALA CB . 17610 1 147 . 1 1 17 17 ALA N N 15 123.120 0.119 . 1 . . . . . 11 ALA N . 17610 1 148 . 1 1 18 18 GLY H H 1 8.694 0.007 . 1 . . . . . 12 GLY H . 17610 1 149 . 1 1 18 18 GLY HA2 H 1 3.713 0.011 . 2 . . . . . 12 GLY HA2 . 17610 1 150 . 1 1 18 18 GLY HA3 H 1 4.799 0.000 . 2 . . . . . 12 GLY HA3 . 17610 1 151 . 1 1 18 18 GLY C C 13 176.858 0.000 . 1 . . . . . 12 GLY C . 17610 1 152 . 1 1 18 18 GLY CA C 13 46.465 0.086 . 1 . . . . . 12 GLY CA . 17610 1 153 . 1 1 18 18 GLY N N 15 107.391 0.055 . 1 . . . . . 12 GLY N . 17610 1 154 . 1 1 19 19 GLY H H 1 8.916 0.004 . 1 . . . . . 13 GLY H . 17610 1 155 . 1 1 19 19 GLY HA2 H 1 3.937 0.001 . 2 . . . . . 13 GLY HA2 . 17610 1 156 . 1 1 19 19 GLY HA3 H 1 4.195 0.003 . 2 . . . . . 13 GLY HA3 . 17610 1 157 . 1 1 19 19 GLY C C 13 174.661 0.000 . 1 . . . . . 13 GLY C . 17610 1 158 . 1 1 19 19 GLY CA C 13 46.545 0.015 . 1 . . . . . 13 GLY CA . 17610 1 159 . 1 1 19 19 GLY N N 15 114.596 0.093 . 1 . . . . . 13 GLY N . 17610 1 160 . 1 1 20 20 VAL H H 1 7.427 0.004 . 1 . . . . . 14 VAL H . 17610 1 161 . 1 1 20 20 VAL HA H 1 4.008 0.008 . 1 . . . . . 14 VAL HA . 17610 1 162 . 1 1 20 20 VAL HB H 1 2.096 0.008 . 1 . . . . . 14 VAL HB . 17610 1 163 . 1 1 20 20 VAL HG11 H 1 0.945 0.009 . 2 . . . . . 14 VAL HG1 . 17610 1 164 . 1 1 20 20 VAL HG12 H 1 0.945 0.009 . 2 . . . . . 14 VAL HG1 . 17610 1 165 . 1 1 20 20 VAL HG13 H 1 0.945 0.009 . 2 . . . . . 14 VAL HG1 . 17610 1 166 . 1 1 20 20 VAL HG21 H 1 1.162 0.005 . 2 . . . . . 14 VAL HG2 . 17610 1 167 . 1 1 20 20 VAL HG22 H 1 1.162 0.005 . 2 . . . . . 14 VAL HG2 . 17610 1 168 . 1 1 20 20 VAL HG23 H 1 1.162 0.005 . 2 . . . . . 14 VAL HG2 . 17610 1 169 . 1 1 20 20 VAL C C 13 174.469 0.000 . 1 . . . . . 14 VAL C . 17610 1 170 . 1 1 20 20 VAL CA C 13 62.825 0.053 . 1 . . . . . 14 VAL CA . 17610 1 171 . 1 1 20 20 VAL CB C 13 31.740 0.139 . 1 . . . . . 14 VAL CB . 17610 1 172 . 1 1 20 20 VAL CG1 C 13 17.645 0.061 . 2 . . . . . 14 VAL CG1 . 17610 1 173 . 1 1 20 20 VAL CG2 C 13 21.898 0.105 . 2 . . . . . 14 VAL CG2 . 17610 1 174 . 1 1 20 20 VAL N N 15 113.376 0.053 . 1 . . . . . 14 VAL N . 17610 1 175 . 1 1 21 21 GLY H H 1 8.388 0.004 . 1 . . . . . 15 GLY H . 17610 1 176 . 1 1 21 21 GLY HA2 H 1 4.280 0.011 . 2 . . . . . 15 GLY HA2 . 17610 1 177 . 1 1 21 21 GLY HA3 H 1 4.573 0.007 . 2 . . . . . 15 GLY HA3 . 17610 1 178 . 1 1 21 21 GLY C C 13 173.254 0.000 . 1 . . . . . 15 GLY C . 17610 1 179 . 1 1 21 21 GLY CA C 13 45.708 0.072 . 1 . . . . . 15 GLY CA . 17610 1 180 . 1 1 21 21 GLY N N 15 109.392 0.083 . 1 . . . . . 15 GLY N . 17610 1 181 . 1 1 22 22 LYS H H 1 9.097 0.003 . 1 . . . . . 16 LYS H . 17610 1 182 . 1 1 22 22 LYS HA H 1 3.537 0.006 . 1 . . . . . 16 LYS HA . 17610 1 183 . 1 1 22 22 LYS HB2 H 1 1.657 0.007 . 2 . . . . . 16 LYS HB2 . 17610 1 184 . 1 1 22 22 LYS HB3 H 1 2.444 0.008 . 2 . . . . . 16 LYS HB3 . 17610 1 185 . 1 1 22 22 LYS C C 13 179.106 0.000 . 1 . . . . . 16 LYS C . 17610 1 186 . 1 1 22 22 LYS CA C 13 60.990 0.064 . 1 . . . . . 16 LYS CA . 17610 1 187 . 1 1 22 22 LYS CB C 13 29.967 0.052 . 1 . . . . . 16 LYS CB . 17610 1 188 . 1 1 22 22 LYS N N 15 124.844 0.072 . 1 . . . . . 16 LYS N . 17610 1 189 . 1 1 23 23 SER H H 1 9.546 0.004 . 1 . . . . . 17 SER H . 17610 1 190 . 1 1 23 23 SER HA H 1 4.292 0.010 . 1 . . . . . 17 SER HA . 17610 1 191 . 1 1 23 23 SER HB2 H 1 3.692 0.007 . 2 . . . . . 17 SER HB . 17610 1 192 . 1 1 23 23 SER HB3 H 1 3.692 0.007 . 2 . . . . . 17 SER HB . 17610 1 193 . 1 1 23 23 SER C C 13 175.697 0.000 . 1 . . . . . 17 SER C . 17610 1 194 . 1 1 23 23 SER CA C 13 61.346 0.054 . 1 . . . . . 17 SER CA . 17610 1 195 . 1 1 23 23 SER CB C 13 61.337 0.071 . 1 . . . . . 17 SER CB . 17610 1 196 . 1 1 23 23 SER N N 15 121.228 0.075 . 1 . . . . . 17 SER N . 17610 1 197 . 1 1 24 24 ALA H H 1 9.189 0.005 . 1 . . . . . 18 ALA H . 17610 1 198 . 1 1 24 24 ALA HA H 1 3.946 0.008 . 1 . . . . . 18 ALA HA . 17610 1 199 . 1 1 24 24 ALA HB1 H 1 1.460 0.004 . 1 . . . . . 18 ALA HB . 17610 1 200 . 1 1 24 24 ALA HB2 H 1 1.460 0.004 . 1 . . . . . 18 ALA HB . 17610 1 201 . 1 1 24 24 ALA HB3 H 1 1.460 0.004 . 1 . . . . . 18 ALA HB . 17610 1 202 . 1 1 24 24 ALA C C 13 181.834 0.000 . 1 . . . . . 18 ALA C . 17610 1 203 . 1 1 24 24 ALA CA C 13 54.587 0.087 . 1 . . . . . 18 ALA CA . 17610 1 204 . 1 1 24 24 ALA CB C 13 18.539 0.048 . 1 . . . . . 18 ALA CB . 17610 1 205 . 1 1 24 24 ALA N N 15 126.557 0.043 . 1 . . . . . 18 ALA N . 17610 1 206 . 1 1 25 25 LEU H H 1 8.817 0.004 . 1 . . . . . 19 LEU H . 17610 1 207 . 1 1 25 25 LEU HA H 1 3.878 0.007 . 1 . . . . . 19 LEU HA . 17610 1 208 . 1 1 25 25 LEU HB2 H 1 1.341 0.004 . 2 . . . . . 19 LEU HB2 . 17610 1 209 . 1 1 25 25 LEU HB3 H 1 2.210 0.007 . 2 . . . . . 19 LEU HB3 . 17610 1 210 . 1 1 25 25 LEU HG H 1 1.889 0.004 . 1 . . . . . 19 LEU HG . 17610 1 211 . 1 1 25 25 LEU HD11 H 1 0.641 0.005 . 2 . . . . . 19 LEU HD1 . 17610 1 212 . 1 1 25 25 LEU HD12 H 1 0.641 0.005 . 2 . . . . . 19 LEU HD1 . 17610 1 213 . 1 1 25 25 LEU HD13 H 1 0.641 0.005 . 2 . . . . . 19 LEU HD1 . 17610 1 214 . 1 1 25 25 LEU HD21 H 1 0.807 0.010 . 2 . . . . . 19 LEU HD2 . 17610 1 215 . 1 1 25 25 LEU HD22 H 1 0.807 0.010 . 2 . . . . . 19 LEU HD2 . 17610 1 216 . 1 1 25 25 LEU HD23 H 1 0.807 0.010 . 2 . . . . . 19 LEU HD2 . 17610 1 217 . 1 1 25 25 LEU C C 13 177.485 0.000 . 1 . . . . . 19 LEU C . 17610 1 218 . 1 1 25 25 LEU CA C 13 58.729 0.102 . 1 . . . . . 19 LEU CA . 17610 1 219 . 1 1 25 25 LEU CB C 13 43.227 0.078 . 1 . . . . . 19 LEU CB . 17610 1 220 . 1 1 25 25 LEU CG C 13 26.973 0.101 . 1 . . . . . 19 LEU CG . 17610 1 221 . 1 1 25 25 LEU CD1 C 13 26.554 0.120 . 2 . . . . . 19 LEU CD1 . 17610 1 222 . 1 1 25 25 LEU CD2 C 13 26.942 0.000 . 2 . . . . . 19 LEU CD2 . 17610 1 223 . 1 1 25 25 LEU N N 15 121.712 0.108 . 1 . . . . . 19 LEU N . 17610 1 224 . 1 1 26 26 THR H H 1 7.517 0.002 . 1 . . . . . 20 THR H . 17610 1 225 . 1 1 26 26 THR HA H 1 3.401 0.005 . 1 . . . . . 20 THR HA . 17610 1 226 . 1 1 26 26 THR HB H 1 4.070 0.006 . 1 . . . . . 20 THR HB . 17610 1 227 . 1 1 26 26 THR HG21 H 1 0.579 0.006 . 2 . . . . . 20 THR HG2 . 17610 1 228 . 1 1 26 26 THR HG22 H 1 0.579 0.006 . 2 . . . . . 20 THR HG2 . 17610 1 229 . 1 1 26 26 THR HG23 H 1 0.579 0.006 . 2 . . . . . 20 THR HG2 . 17610 1 230 . 1 1 26 26 THR C C 13 175.714 0.000 . 1 . . . . . 20 THR C . 17610 1 231 . 1 1 26 26 THR CA C 13 68.122 0.058 . 1 . . . . . 20 THR CA . 17610 1 232 . 1 1 26 26 THR CB C 13 68.196 0.118 . 1 . . . . . 20 THR CB . 17610 1 233 . 1 1 26 26 THR CG2 C 13 21.888 0.091 . 1 . . . . . 20 THR CG2 . 17610 1 234 . 1 1 26 26 THR N N 15 118.148 0.089 . 1 . . . . . 20 THR N . 17610 1 235 . 1 1 27 27 ILE H H 1 8.950 0.008 . 1 . . . . . 21 ILE H . 17610 1 236 . 1 1 27 27 ILE HA H 1 3.302 0.004 . 1 . . . . . 21 ILE HA . 17610 1 237 . 1 1 27 27 ILE HB H 1 1.840 0.004 . 1 . . . . . 21 ILE HB . 17610 1 238 . 1 1 27 27 ILE HG12 H 1 1.079 0.003 . 2 . . . . . 21 ILE HG12 . 17610 1 239 . 1 1 27 27 ILE HG13 H 1 1.337 0.004 . 2 . . . . . 21 ILE HG13 . 17610 1 240 . 1 1 27 27 ILE HG21 H 1 0.683 0.006 . 1 . . . . . 21 ILE HG2 . 17610 1 241 . 1 1 27 27 ILE HG22 H 1 0.683 0.006 . 1 . . . . . 21 ILE HG2 . 17610 1 242 . 1 1 27 27 ILE HG23 H 1 0.683 0.006 . 1 . . . . . 21 ILE HG2 . 17610 1 243 . 1 1 27 27 ILE HD11 H 1 0.609 0.003 . 1 . . . . . 21 ILE HD1 . 17610 1 244 . 1 1 27 27 ILE HD12 H 1 0.609 0.003 . 1 . . . . . 21 ILE HD1 . 17610 1 245 . 1 1 27 27 ILE HD13 H 1 0.609 0.003 . 1 . . . . . 21 ILE HD1 . 17610 1 246 . 1 1 27 27 ILE C C 13 175.380 0.000 . 1 . . . . . 21 ILE C . 17610 1 247 . 1 1 27 27 ILE CA C 13 64.278 0.054 . 1 . . . . . 21 ILE CA . 17610 1 248 . 1 1 27 27 ILE CB C 13 36.758 0.147 . 1 . . . . . 21 ILE CB . 17610 1 249 . 1 1 27 27 ILE CG1 C 13 29.681 0.145 . 1 . . . . . 21 ILE CG1 . 17610 1 250 . 1 1 27 27 ILE CG2 C 13 17.542 0.080 . 1 . . . . . 21 ILE CG2 . 17610 1 251 . 1 1 27 27 ILE CD1 C 13 11.882 0.072 . 1 . . . . . 21 ILE CD1 . 17610 1 252 . 1 1 27 27 ILE N N 15 121.987 0.085 . 1 . . . . . 21 ILE N . 17610 1 253 . 1 1 28 28 GLN H H 1 8.094 0.010 . 1 . . . . . 22 GLN H . 17610 1 254 . 1 1 28 28 GLN HA H 1 4.334 0.006 . 1 . . . . . 22 GLN HA . 17610 1 255 . 1 1 28 28 GLN HB2 H 1 2.108 0.010 . 2 . . . . . 22 GLN HB2 . 17610 1 256 . 1 1 28 28 GLN HB3 H 1 2.410 0.012 . 2 . . . . . 22 GLN HB3 . 17610 1 257 . 1 1 28 28 GLN HG2 H 1 2.370 0.012 . 2 . . . . . 22 GLN HG2 . 17610 1 258 . 1 1 28 28 GLN HG3 H 1 2.623 0.011 . 2 . . . . . 22 GLN HG3 . 17610 1 259 . 1 1 28 28 GLN HE21 H 1 6.731 0.004 . 2 . . . . . 22 GLN HE21 . 17610 1 260 . 1 1 28 28 GLN HE22 H 1 7.848 0.006 . 2 . . . . . 22 GLN HE22 . 17610 1 261 . 1 1 28 28 GLN C C 13 179.058 0.000 . 1 . . . . . 22 GLN C . 17610 1 262 . 1 1 28 28 GLN CA C 13 58.796 0.143 . 1 . . . . . 22 GLN CA . 17610 1 263 . 1 1 28 28 GLN CB C 13 29.752 0.160 . 1 . . . . . 22 GLN CB . 17610 1 264 . 1 1 28 28 GLN CG C 13 34.019 0.099 . 1 . . . . . 22 GLN CG . 17610 1 265 . 1 1 28 28 GLN N N 15 121.898 0.050 . 1 . . . . . 22 GLN N . 17610 1 266 . 1 1 28 28 GLN NE2 N 15 109.040 0.151 . 1 . . . . . 22 GLN NE2 . 17610 1 267 . 1 1 29 29 LEU H H 1 7.746 0.006 . 1 . . . . . 23 LEU H . 17610 1 268 . 1 1 29 29 LEU HA H 1 3.765 0.009 . 1 . . . . . 23 LEU HA . 17610 1 269 . 1 1 29 29 LEU HB2 H 1 0.990 0.007 . 2 . . . . . 23 LEU HB2 . 17610 1 270 . 1 1 29 29 LEU HB3 H 1 1.542 0.007 . 2 . . . . . 23 LEU HB3 . 17610 1 271 . 1 1 29 29 LEU HG H 1 1.024 0.005 . 1 . . . . . 23 LEU HG . 17610 1 272 . 1 1 29 29 LEU HD11 H 1 -0.176 0.003 . 2 . . . . . 23 LEU HD1 . 17610 1 273 . 1 1 29 29 LEU HD12 H 1 -0.176 0.003 . 2 . . . . . 23 LEU HD1 . 17610 1 274 . 1 1 29 29 LEU HD13 H 1 -0.176 0.003 . 2 . . . . . 23 LEU HD1 . 17610 1 275 . 1 1 29 29 LEU HD21 H 1 0.626 0.006 . 2 . . . . . 23 LEU HD2 . 17610 1 276 . 1 1 29 29 LEU HD22 H 1 0.626 0.006 . 2 . . . . . 23 LEU HD2 . 17610 1 277 . 1 1 29 29 LEU HD23 H 1 0.626 0.006 . 2 . . . . . 23 LEU HD2 . 17610 1 278 . 1 1 29 29 LEU C C 13 178.155 0.000 . 1 . . . . . 23 LEU C . 17610 1 279 . 1 1 29 29 LEU CA C 13 58.304 0.261 . 1 . . . . . 23 LEU CA . 17610 1 280 . 1 1 29 29 LEU CB C 13 40.637 0.055 . 1 . . . . . 23 LEU CB . 17610 1 281 . 1 1 29 29 LEU CG C 13 26.393 0.053 . 1 . . . . . 23 LEU CG . 17610 1 282 . 1 1 29 29 LEU CD1 C 13 23.705 0.023 . 2 . . . . . 23 LEU CD1 . 17610 1 283 . 1 1 29 29 LEU CD2 C 13 22.679 0.067 . 2 . . . . . 23 LEU CD2 . 17610 1 284 . 1 1 29 29 LEU N N 15 121.426 0.062 . 1 . . . . . 23 LEU N . 17610 1 285 . 1 1 30 30 ILE H H 1 8.115 0.003 . 1 . . . . . 24 ILE H . 17610 1 286 . 1 1 30 30 ILE HA H 1 3.697 0.004 . 1 . . . . . 24 ILE HA . 17610 1 287 . 1 1 30 30 ILE HB H 1 1.832 0.003 . 1 . . . . . 24 ILE HB . 17610 1 288 . 1 1 30 30 ILE HG12 H 1 1.123 0.010 . 2 . . . . . 24 ILE HG12 . 17610 1 289 . 1 1 30 30 ILE HG13 H 1 1.588 0.006 . 2 . . . . . 24 ILE HG13 . 17610 1 290 . 1 1 30 30 ILE HG21 H 1 0.988 0.005 . 1 . . . . . 24 ILE HG2 . 17610 1 291 . 1 1 30 30 ILE HG22 H 1 0.988 0.005 . 1 . . . . . 24 ILE HG2 . 17610 1 292 . 1 1 30 30 ILE HG23 H 1 0.988 0.005 . 1 . . . . . 24 ILE HG2 . 17610 1 293 . 1 1 30 30 ILE HD11 H 1 0.509 0.005 . 1 . . . . . 24 ILE HD1 . 17610 1 294 . 1 1 30 30 ILE HD12 H 1 0.509 0.005 . 1 . . . . . 24 ILE HD1 . 17610 1 295 . 1 1 30 30 ILE HD13 H 1 0.509 0.005 . 1 . . . . . 24 ILE HD1 . 17610 1 296 . 1 1 30 30 ILE C C 13 177.421 0.000 . 1 . . . . . 24 ILE C . 17610 1 297 . 1 1 30 30 ILE CA C 13 62.050 0.061 . 1 . . . . . 24 ILE CA . 17610 1 298 . 1 1 30 30 ILE CB C 13 37.183 0.066 . 1 . . . . . 24 ILE CB . 17610 1 299 . 1 1 30 30 ILE CG1 C 13 26.378 0.082 . 1 . . . . . 24 ILE CG1 . 17610 1 300 . 1 1 30 30 ILE CG2 C 13 17.662 0.040 . 1 . . . . . 24 ILE CG2 . 17610 1 301 . 1 1 30 30 ILE CD1 C 13 10.367 0.033 . 1 . . . . . 24 ILE CD1 . 17610 1 302 . 1 1 30 30 ILE N N 15 115.325 0.061 . 1 . . . . . 24 ILE N . 17610 1 303 . 1 1 31 31 GLN H H 1 8.887 0.006 . 1 . . . . . 25 GLN H . 17610 1 304 . 1 1 31 31 GLN HA H 1 4.539 0.007 . 1 . . . . . 25 GLN HA . 17610 1 305 . 1 1 31 31 GLN HB2 H 1 1.847 0.006 . 2 . . . . . 25 GLN HB2 . 17610 1 306 . 1 1 31 31 GLN HB3 H 1 2.185 0.014 . 2 . . . . . 25 GLN HB3 . 17610 1 307 . 1 1 31 31 GLN HG2 H 1 2.252 0.007 . 2 . . . . . 25 GLN HG2 . 17610 1 308 . 1 1 31 31 GLN HG3 H 1 2.413 0.005 . 2 . . . . . 25 GLN HG3 . 17610 1 309 . 1 1 31 31 GLN HE21 H 1 6.932 0.004 . 2 . . . . . 25 GLN HE21 . 17610 1 310 . 1 1 31 31 GLN HE22 H 1 7.515 0.006 . 2 . . . . . 25 GLN HE22 . 17610 1 311 . 1 1 31 31 GLN C C 13 176.149 0.000 . 1 . . . . . 25 GLN C . 17610 1 312 . 1 1 31 31 GLN CA C 13 55.234 0.090 . 1 . . . . . 25 GLN CA . 17610 1 313 . 1 1 31 31 GLN CB C 13 30.184 0.126 . 1 . . . . . 25 GLN CB . 17610 1 314 . 1 1 31 31 GLN CG C 13 33.736 0.074 . 1 . . . . . 25 GLN CG . 17610 1 315 . 1 1 31 31 GLN N N 15 117.213 0.047 . 1 . . . . . 25 GLN N . 17610 1 316 . 1 1 31 31 GLN NE2 N 15 111.586 0.083 . 1 . . . . . 25 GLN NE2 . 17610 1 317 . 1 1 32 32 ASN H H 1 7.982 0.008 . 1 . . . . . 26 ASN H . 17610 1 318 . 1 1 32 32 ASN HA H 1 4.807 0.000 . 1 . . . . . 26 ASN HA . 17610 1 319 . 1 1 32 32 ASN HB2 H 1 2.745 0.004 . 2 . . . . . 26 ASN HB2 . 17610 1 320 . 1 1 32 32 ASN HB3 H 1 3.105 0.008 . 2 . . . . . 26 ASN HB3 . 17610 1 321 . 1 1 32 32 ASN HD21 H 1 6.710 0.004 . 2 . . . . . 26 ASN HD21 . 17610 1 322 . 1 1 32 32 ASN HD22 H 1 7.463 0.002 . 2 . . . . . 26 ASN HD22 . 17610 1 323 . 1 1 32 32 ASN C C 13 174.051 0.000 . 1 . . . . . 26 ASN C . 17610 1 324 . 1 1 32 32 ASN CA C 13 54.310 0.011 . 1 . . . . . 26 ASN CA . 17610 1 325 . 1 1 32 32 ASN CB C 13 37.184 0.101 . 1 . . . . . 26 ASN CB . 17610 1 326 . 1 1 32 32 ASN N N 15 117.820 0.130 . 1 . . . . . 26 ASN N . 17610 1 327 . 1 1 32 32 ASN ND2 N 15 112.954 0.092 . 1 . . . . . 26 ASN ND2 . 17610 1 328 . 1 1 33 33 HIS H H 1 6.804 0.007 . 1 . . . . . 27 HIS H . 17610 1 329 . 1 1 33 33 HIS HA H 1 4.889 0.002 . 1 . . . . . 27 HIS HA . 17610 1 330 . 1 1 33 33 HIS HB2 H 1 2.943 0.006 . 2 . . . . . 27 HIS HB2 . 17610 1 331 . 1 1 33 33 HIS HB3 H 1 3.011 0.013 . 2 . . . . . 27 HIS HB3 . 17610 1 332 . 1 1 33 33 HIS HD2 H 1 6.812 0.000 . 1 . . . . . 27 HIS HD2 . 17610 1 333 . 1 1 33 33 HIS HE1 H 1 8.158 0.014 . 1 . . . . . 27 HIS HE1 . 17610 1 334 . 1 1 33 33 HIS C C 13 172.514 0.000 . 1 . . . . . 27 HIS C . 17610 1 335 . 1 1 33 33 HIS CA C 13 54.314 0.000 . 1 . . . . . 27 HIS CA . 17610 1 336 . 1 1 33 33 HIS CB C 13 32.616 0.045 . 1 . . . . . 27 HIS CB . 17610 1 337 . 1 1 33 33 HIS CD2 C 13 119.820 0.000 . 1 . . . . . 27 HIS CD2 . 17610 1 338 . 1 1 33 33 HIS CE1 C 13 137.400 0.000 . 1 . . . . . 27 HIS CE1 . 17610 1 339 . 1 1 33 33 HIS N N 15 112.968 0.095 . 1 . . . . . 27 HIS N . 17610 1 340 . 1 1 34 34 PHE H H 1 8.462 0.007 . 1 . . . . . 28 PHE H . 17610 1 341 . 1 1 34 34 PHE HA H 1 4.914 0.009 . 1 . . . . . 28 PHE HA . 17610 1 342 . 1 1 34 34 PHE HB2 H 1 2.813 0.004 . 2 . . . . . 28 PHE HB2 . 17610 1 343 . 1 1 34 34 PHE HB3 H 1 3.044 0.008 . 2 . . . . . 28 PHE HB3 . 17610 1 344 . 1 1 34 34 PHE HD1 H 1 7.026 0.007 . 3 . . . . . 28 PHE HD . 17610 1 345 . 1 1 34 34 PHE HD2 H 1 7.026 0.007 . 3 . . . . . 28 PHE HD . 17610 1 346 . 1 1 34 34 PHE HE1 H 1 6.533 0.006 . 3 . . . . . 28 PHE HE . 17610 1 347 . 1 1 34 34 PHE HE2 H 1 6.533 0.006 . 3 . . . . . 28 PHE HE . 17610 1 348 . 1 1 34 34 PHE HZ H 1 6.711 0.011 . 1 . . . . . 28 PHE HZ . 17610 1 349 . 1 1 34 34 PHE C C 13 174.641 0.000 . 1 . . . . . 28 PHE C . 17610 1 350 . 1 1 34 34 PHE CA C 13 55.754 0.099 . 1 . . . . . 28 PHE CA . 17610 1 351 . 1 1 34 34 PHE CB C 13 40.573 0.095 . 1 . . . . . 28 PHE CB . 17610 1 352 . 1 1 34 34 PHE CD1 C 13 131.935 0.115 . 3 . . . . . 28 PHE CD . 17610 1 353 . 1 1 34 34 PHE CD2 C 13 131.935 0.115 . 3 . . . . . 28 PHE CD . 17610 1 354 . 1 1 34 34 PHE N N 15 123.605 0.081 . 1 . . . . . 28 PHE N . 17610 1 355 . 1 1 35 35 VAL H H 1 7.537 0.006 . 1 . . . . . 29 VAL H . 17610 1 356 . 1 1 35 35 VAL HA H 1 3.911 0.004 . 1 . . . . . 29 VAL HA . 17610 1 357 . 1 1 35 35 VAL HB H 1 1.781 0.004 . 1 . . . . . 29 VAL HB . 17610 1 358 . 1 1 35 35 VAL HG11 H 1 0.610 0.006 . 2 . . . . . 29 VAL HG1 . 17610 1 359 . 1 1 35 35 VAL HG12 H 1 0.610 0.006 . 2 . . . . . 29 VAL HG1 . 17610 1 360 . 1 1 35 35 VAL HG13 H 1 0.610 0.006 . 2 . . . . . 29 VAL HG1 . 17610 1 361 . 1 1 35 35 VAL HG21 H 1 0.702 0.007 . 2 . . . . . 29 VAL HG2 . 17610 1 362 . 1 1 35 35 VAL HG22 H 1 0.702 0.007 . 2 . . . . . 29 VAL HG2 . 17610 1 363 . 1 1 35 35 VAL HG23 H 1 0.702 0.007 . 2 . . . . . 29 VAL HG2 . 17610 1 364 . 1 1 35 35 VAL C C 13 173.764 0.000 . 1 . . . . . 29 VAL C . 17610 1 365 . 1 1 35 35 VAL CA C 13 61.275 0.098 . 1 . . . . . 29 VAL CA . 17610 1 366 . 1 1 35 35 VAL CB C 13 33.154 0.000 . 1 . . . . . 29 VAL CB . 17610 1 367 . 1 1 35 35 VAL CG1 C 13 19.631 0.048 . 2 . . . . . 29 VAL CG1 . 17610 1 368 . 1 1 35 35 VAL CG2 C 13 21.457 0.140 . 2 . . . . . 29 VAL CG2 . 17610 1 369 . 1 1 35 35 VAL N N 15 126.695 0.051 . 1 . . . . . 29 VAL N . 17610 1 370 . 1 1 36 36 ASP H H 1 7.618 0.005 . 1 . . . . . 30 ASP H . 17610 1 371 . 1 1 36 36 ASP HA H 1 4.185 0.002 . 1 . . . . . 30 ASP HA . 17610 1 372 . 1 1 36 36 ASP HB2 H 1 2.492 0.007 . 2 . . . . . 30 ASP HB2 . 17610 1 373 . 1 1 36 36 ASP HB3 H 1 2.593 0.007 . 2 . . . . . 30 ASP HB3 . 17610 1 374 . 1 1 36 36 ASP C C 13 176.129 0.000 . 1 . . . . . 30 ASP C . 17610 1 375 . 1 1 36 36 ASP CA C 13 54.662 0.124 . 1 . . . . . 30 ASP CA . 17610 1 376 . 1 1 36 36 ASP CB C 13 41.323 0.000 . 1 . . . . . 30 ASP CB . 17610 1 377 . 1 1 36 36 ASP N N 15 123.271 0.073 . 1 . . . . . 30 ASP N . 17610 1 378 . 1 1 37 37 GLU H H 1 7.857 0.007 . 1 . . . . . 31 GLU H . 17610 1 379 . 1 1 37 37 GLU HA H 1 4.262 0.009 . 1 . . . . . 31 GLU HA . 17610 1 380 . 1 1 37 37 GLU HB2 H 1 1.891 0.002 . 2 . . . . . 31 GLU HB2 . 17610 1 381 . 1 1 37 37 GLU HB3 H 1 1.968 0.000 . 2 . . . . . 31 GLU HB3 . 17610 1 382 . 1 1 37 37 GLU HG2 H 1 2.112 0.003 . 2 . . . . . 31 GLU HG . 17610 1 383 . 1 1 37 37 GLU HG3 H 1 2.112 0.003 . 2 . . . . . 31 GLU HG . 17610 1 384 . 1 1 37 37 GLU C C 13 174.901 0.000 . 1 . . . . . 31 GLU C . 17610 1 385 . 1 1 37 37 GLU CA C 13 56.137 0.237 . 1 . . . . . 31 GLU CA . 17610 1 386 . 1 1 37 37 GLU CB C 13 30.459 0.039 . 1 . . . . . 31 GLU CB . 17610 1 387 . 1 1 37 37 GLU CG C 13 35.919 0.085 . 1 . . . . . 31 GLU CG . 17610 1 388 . 1 1 37 37 GLU N N 15 119.730 0.039 . 1 . . . . . 31 GLU N . 17610 1 389 . 1 1 38 38 TYR H H 1 8.244 0.006 . 1 . . . . . 32 TYR H . 17610 1 390 . 1 1 38 38 TYR HA H 1 4.486 0.006 . 1 . . . . . 32 TYR HA . 17610 1 391 . 1 1 38 38 TYR HB2 H 1 2.882 0.006 . 2 . . . . . 32 TYR HB . 17610 1 392 . 1 1 38 38 TYR HB3 H 1 2.882 0.006 . 2 . . . . . 32 TYR HB . 17610 1 393 . 1 1 38 38 TYR HD1 H 1 7.043 0.005 . 3 . . . . . 32 TYR HD . 17610 1 394 . 1 1 38 38 TYR HD2 H 1 7.043 0.005 . 3 . . . . . 32 TYR HD . 17610 1 395 . 1 1 38 38 TYR HE1 H 1 6.790 0.009 . 3 . . . . . 32 TYR HE . 17610 1 396 . 1 1 38 38 TYR HE2 H 1 6.790 0.009 . 3 . . . . . 32 TYR HE . 17610 1 397 . 1 1 38 38 TYR C C 13 174.370 0.000 . 1 . . . . . 32 TYR C . 17610 1 398 . 1 1 38 38 TYR CA C 13 57.511 0.113 . 1 . . . . . 32 TYR CA . 17610 1 399 . 1 1 38 38 TYR CB C 13 39.199 0.067 . 1 . . . . . 32 TYR CB . 17610 1 400 . 1 1 38 38 TYR CD1 C 13 132.724 0.113 . 3 . . . . . 32 TYR CD . 17610 1 401 . 1 1 38 38 TYR CD2 C 13 132.724 0.113 . 3 . . . . . 32 TYR CD . 17610 1 402 . 1 1 38 38 TYR CE1 C 13 118.183 0.004 . 3 . . . . . 32 TYR CE . 17610 1 403 . 1 1 38 38 TYR CE2 C 13 118.183 0.004 . 3 . . . . . 32 TYR CE . 17610 1 404 . 1 1 38 38 TYR N N 15 123.296 0.067 . 1 . . . . . 32 TYR N . 17610 1 405 . 1 1 39 39 ASP H H 1 8.158 0.004 . 1 . . . . . 33 ASP H . 17610 1 406 . 1 1 39 39 ASP HA H 1 4.891 0.004 . 1 . . . . . 33 ASP HA . 17610 1 407 . 1 1 39 39 ASP HB2 H 1 2.450 0.007 . 2 . . . . . 33 ASP HB2 . 17610 1 408 . 1 1 39 39 ASP HB3 H 1 2.703 0.006 . 2 . . . . . 33 ASP HB3 . 17610 1 409 . 1 1 39 39 ASP CA C 13 51.207 0.041 . 1 . . . . . 33 ASP CA . 17610 1 410 . 1 1 39 39 ASP CB C 13 41.837 0.000 . 1 . . . . . 33 ASP CB . 17610 1 411 . 1 1 39 39 ASP N N 15 127.452 0.065 . 1 . . . . . 33 ASP N . 17610 1 412 . 1 1 40 40 PRO HA H 1 4.405 0.006 . 1 . . . . . 34 PRO HA . 17610 1 413 . 1 1 40 40 PRO HB2 H 1 2.005 0.007 . 2 . . . . . 34 PRO HB2 . 17610 1 414 . 1 1 40 40 PRO HB3 H 1 2.277 0.006 . 2 . . . . . 34 PRO HB3 . 17610 1 415 . 1 1 40 40 PRO HG2 H 1 1.961 0.010 . 2 . . . . . 34 PRO HG . 17610 1 416 . 1 1 40 40 PRO HG3 H 1 1.961 0.010 . 2 . . . . . 34 PRO HG . 17610 1 417 . 1 1 40 40 PRO HD2 H 1 3.517 0.003 . 2 . . . . . 34 PRO HD2 . 17610 1 418 . 1 1 40 40 PRO HD3 H 1 3.756 0.008 . 2 . . . . . 34 PRO HD3 . 17610 1 419 . 1 1 40 40 PRO C C 13 176.938 0.000 . 1 . . . . . 34 PRO C . 17610 1 420 . 1 1 40 40 PRO CA C 13 63.068 0.112 . 1 . . . . . 34 PRO CA . 17610 1 421 . 1 1 40 40 PRO CB C 13 32.089 0.079 . 1 . . . . . 34 PRO CB . 17610 1 422 . 1 1 40 40 PRO CG C 13 26.896 0.044 . 1 . . . . . 34 PRO CG . 17610 1 423 . 1 1 40 40 PRO CD C 13 50.567 0.068 . 1 . . . . . 34 PRO CD . 17610 1 424 . 1 1 41 41 SER H H 1 8.495 0.005 . 1 . . . . . 35 SER H . 17610 1 425 . 1 1 41 41 SER HA H 1 4.433 0.005 . 1 . . . . . 35 SER HA . 17610 1 426 . 1 1 41 41 SER HB2 H 1 3.858 0.000 . 2 . . . . . 35 SER HB2 . 17610 1 427 . 1 1 41 41 SER HB3 H 1 3.904 0.000 . 2 . . . . . 35 SER HB3 . 17610 1 428 . 1 1 41 41 SER C C 13 174.777 0.000 . 1 . . . . . 35 SER C . 17610 1 429 . 1 1 41 41 SER CA C 13 58.346 0.024 . 1 . . . . . 35 SER CA . 17610 1 430 . 1 1 41 41 SER CB C 13 63.704 0.032 . 1 . . . . . 35 SER CB . 17610 1 431 . 1 1 41 41 SER N N 15 117.575 0.081 . 1 . . . . . 35 SER N . 17610 1 432 . 1 1 42 42 ILE H H 1 7.919 0.003 . 1 . . . . . 36 ILE H . 17610 1 433 . 1 1 42 42 ILE HA H 1 4.219 0.003 . 1 . . . . . 36 ILE HA . 17610 1 434 . 1 1 42 42 ILE HB H 1 1.927 0.002 . 1 . . . . . 36 ILE HB . 17610 1 435 . 1 1 42 42 ILE HG12 H 1 1.160 0.002 . 2 . . . . . 36 ILE HG12 . 17610 1 436 . 1 1 42 42 ILE HG13 H 1 1.420 0.004 . 2 . . . . . 36 ILE HG13 . 17610 1 437 . 1 1 42 42 ILE HG21 H 1 0.911 0.006 . 1 . . . . . 36 ILE HG2 . 17610 1 438 . 1 1 42 42 ILE HG22 H 1 0.911 0.006 . 1 . . . . . 36 ILE HG2 . 17610 1 439 . 1 1 42 42 ILE HG23 H 1 0.911 0.006 . 1 . . . . . 36 ILE HG2 . 17610 1 440 . 1 1 42 42 ILE HD11 H 1 0.850 0.002 . 1 . . . . . 36 ILE HD1 . 17610 1 441 . 1 1 42 42 ILE HD12 H 1 0.850 0.002 . 1 . . . . . 36 ILE HD1 . 17610 1 442 . 1 1 42 42 ILE HD13 H 1 0.850 0.002 . 1 . . . . . 36 ILE HD1 . 17610 1 443 . 1 1 42 42 ILE C C 13 175.966 0.000 . 1 . . . . . 36 ILE C . 17610 1 444 . 1 1 42 42 ILE CA C 13 61.665 0.051 . 1 . . . . . 36 ILE CA . 17610 1 445 . 1 1 42 42 ILE CB C 13 38.745 0.057 . 1 . . . . . 36 ILE CB . 17610 1 446 . 1 1 42 42 ILE CG1 C 13 27.078 0.071 . 1 . . . . . 36 ILE CG1 . 17610 1 447 . 1 1 42 42 ILE CG2 C 13 17.658 0.078 . 1 . . . . . 36 ILE CG2 . 17610 1 448 . 1 1 42 42 ILE CD1 C 13 13.289 0.086 . 1 . . . . . 36 ILE CD1 . 17610 1 449 . 1 1 42 42 ILE N N 15 123.018 0.074 . 1 . . . . . 36 ILE N . 17610 1 450 . 1 1 43 43 GLU H H 1 8.201 0.005 . 1 . . . . . 37 GLU H . 17610 1 451 . 1 1 43 43 GLU HA H 1 4.381 0.004 . 1 . . . . . 37 GLU HA . 17610 1 452 . 1 1 43 43 GLU HB2 H 1 1.787 0.006 . 2 . . . . . 37 GLU HB2 . 17610 1 453 . 1 1 43 43 GLU HB3 H 1 1.994 0.003 . 2 . . . . . 37 GLU HB3 . 17610 1 454 . 1 1 43 43 GLU HG2 H 1 2.196 0.010 . 2 . . . . . 37 GLU HG . 17610 1 455 . 1 1 43 43 GLU HG3 H 1 2.196 0.010 . 2 . . . . . 37 GLU HG . 17610 1 456 . 1 1 43 43 GLU C C 13 179.069 0.000 . 1 . . . . . 37 GLU C . 17610 1 457 . 1 1 43 43 GLU CA C 13 56.223 0.019 . 1 . . . . . 37 GLU CA . 17610 1 458 . 1 1 43 43 GLU CB C 13 30.616 0.080 . 1 . . . . . 37 GLU CB . 17610 1 459 . 1 1 43 43 GLU CG C 13 36.234 0.074 . 1 . . . . . 37 GLU CG . 17610 1 460 . 1 1 43 43 GLU N N 15 124.699 0.038 . 1 . . . . . 37 GLU N . 17610 1 461 . 1 1 44 44 ASP H H 1 8.094 0.004 . 1 . . . . . 38 ASP H . 17610 1 462 . 1 1 44 44 ASP HA H 1 4.622 0.008 . 1 . . . . . 38 ASP HA . 17610 1 463 . 1 1 44 44 ASP HB2 H 1 2.531 0.003 . 2 . . . . . 38 ASP HB2 . 17610 1 464 . 1 1 44 44 ASP HB3 H 1 2.659 0.005 . 2 . . . . . 38 ASP HB3 . 17610 1 465 . 1 1 44 44 ASP C C 13 174.634 0.000 . 1 . . . . . 38 ASP C . 17610 1 466 . 1 1 44 44 ASP CA C 13 54.095 0.249 . 1 . . . . . 38 ASP CA . 17610 1 467 . 1 1 44 44 ASP CB C 13 41.837 0.000 . 1 . . . . . 38 ASP CB . 17610 1 468 . 1 1 44 44 ASP N N 15 121.902 0.077 . 1 . . . . . 38 ASP N . 17610 1 469 . 1 1 45 45 SER H H 1 7.792 0.007 . 1 . . . . . 39 SER H . 17610 1 470 . 1 1 45 45 SER HA H 1 4.923 0.011 . 1 . . . . . 39 SER HA . 17610 1 471 . 1 1 45 45 SER HB2 H 1 3.631 0.002 . 2 . . . . . 39 SER HB2 . 17610 1 472 . 1 1 45 45 SER HB3 H 1 3.664 0.003 . 2 . . . . . 39 SER HB3 . 17610 1 473 . 1 1 45 45 SER C C 13 173.339 0.000 . 1 . . . . . 39 SER C . 17610 1 474 . 1 1 45 45 SER CA C 13 57.023 0.062 . 1 . . . . . 39 SER CA . 17610 1 475 . 1 1 45 45 SER CB C 13 64.751 0.034 . 1 . . . . . 39 SER CB . 17610 1 476 . 1 1 45 45 SER N N 15 114.779 0.092 . 1 . . . . . 39 SER N . 17610 1 477 . 1 1 46 46 TYR H H 1 8.976 0.006 . 1 . . . . . 40 TYR H . 17610 1 478 . 1 1 46 46 TYR HA H 1 4.662 0.006 . 1 . . . . . 40 TYR HA . 17610 1 479 . 1 1 46 46 TYR HB2 H 1 2.786 0.011 . 2 . . . . . 40 TYR HB2 . 17610 1 480 . 1 1 46 46 TYR HB3 H 1 2.870 0.009 . 2 . . . . . 40 TYR HB3 . 17610 1 481 . 1 1 46 46 TYR HD1 H 1 7.010 0.008 . 3 . . . . . 40 TYR HD . 17610 1 482 . 1 1 46 46 TYR HD2 H 1 7.010 0.008 . 3 . . . . . 40 TYR HD . 17610 1 483 . 1 1 46 46 TYR HE1 H 1 6.781 0.005 . 3 . . . . . 40 TYR HE . 17610 1 484 . 1 1 46 46 TYR HE2 H 1 6.781 0.005 . 3 . . . . . 40 TYR HE . 17610 1 485 . 1 1 46 46 TYR C C 13 173.910 0.000 . 1 . . . . . 40 TYR C . 17610 1 486 . 1 1 46 46 TYR CA C 13 56.944 0.087 . 1 . . . . . 40 TYR CA . 17610 1 487 . 1 1 46 46 TYR CB C 13 41.323 0.000 . 1 . . . . . 40 TYR CB . 17610 1 488 . 1 1 46 46 TYR CD1 C 13 133.170 0.053 . 3 . . . . . 40 TYR CD . 17610 1 489 . 1 1 46 46 TYR CD2 C 13 133.170 0.053 . 3 . . . . . 40 TYR CD . 17610 1 490 . 1 1 46 46 TYR CE1 C 13 118.128 0.000 . 3 . . . . . 40 TYR CE . 17610 1 491 . 1 1 46 46 TYR CE2 C 13 118.128 0.000 . 3 . . . . . 40 TYR CE . 17610 1 492 . 1 1 46 46 TYR N N 15 124.235 0.080 . 1 . . . . . 40 TYR N . 17610 1 493 . 1 1 47 47 ARG H H 1 8.238 0.008 . 1 . . . . . 41 ARG H . 17610 1 494 . 1 1 47 47 ARG HA H 1 5.802 0.005 . 1 . . . . . 41 ARG HA . 17610 1 495 . 1 1 47 47 ARG HB2 H 1 1.642 0.006 . 2 . . . . . 41 ARG HB2 . 17610 1 496 . 1 1 47 47 ARG HB3 H 1 1.697 0.006 . 2 . . . . . 41 ARG HB3 . 17610 1 497 . 1 1 47 47 ARG HG2 H 1 1.524 0.003 . 2 . . . . . 41 ARG HG2 . 17610 1 498 . 1 1 47 47 ARG HG3 H 1 1.554 0.005 . 2 . . . . . 41 ARG HG3 . 17610 1 499 . 1 1 47 47 ARG HD2 H 1 3.055 0.006 . 2 . . . . . 41 ARG HD2 . 17610 1 500 . 1 1 47 47 ARG HD3 H 1 3.164 0.003 . 2 . . . . . 41 ARG HD3 . 17610 1 501 . 1 1 47 47 ARG HE H 1 7.438 0.003 . 1 . . . . . 41 ARG HE . 17610 1 502 . 1 1 47 47 ARG C C 13 176.150 0.000 . 1 . . . . . 41 ARG C . 17610 1 503 . 1 1 47 47 ARG CA C 13 54.129 0.039 . 1 . . . . . 41 ARG CA . 17610 1 504 . 1 1 47 47 ARG CB C 13 34.105 0.097 . 1 . . . . . 41 ARG CB . 17610 1 505 . 1 1 47 47 ARG CG C 13 27.739 0.027 . 1 . . . . . 41 ARG CG . 17610 1 506 . 1 1 47 47 ARG CD C 13 43.566 0.142 . 1 . . . . . 41 ARG CD . 17610 1 507 . 1 1 47 47 ARG N N 15 121.906 0.230 . 1 . . . . . 41 ARG N . 17610 1 508 . 1 1 47 47 ARG NE N 15 85.173 0.146 . 1 . . . . . 41 ARG NE . 17610 1 509 . 1 1 48 48 LYS H H 1 8.705 0.008 . 1 . . . . . 42 LYS H . 17610 1 510 . 1 1 48 48 LYS HA H 1 4.508 0.005 . 1 . . . . . 42 LYS HA . 17610 1 511 . 1 1 48 48 LYS HB2 H 1 1.484 0.006 . 2 . . . . . 42 LYS HB2 . 17610 1 512 . 1 1 48 48 LYS HB3 H 1 1.695 0.009 . 2 . . . . . 42 LYS HB3 . 17610 1 513 . 1 1 48 48 LYS HG2 H 1 1.287 0.006 . 2 . . . . . 42 LYS HG2 . 17610 1 514 . 1 1 48 48 LYS HG3 H 1 1.512 0.009 . 2 . . . . . 42 LYS HG3 . 17610 1 515 . 1 1 48 48 LYS HD2 H 1 1.416 0.004 . 2 . . . . . 42 LYS HD2 . 17610 1 516 . 1 1 48 48 LYS HD3 H 1 1.757 0.010 . 2 . . . . . 42 LYS HD3 . 17610 1 517 . 1 1 48 48 LYS HE2 H 1 3.083 0.006 . 2 . . . . . 42 LYS HE . 17610 1 518 . 1 1 48 48 LYS HE3 H 1 3.083 0.006 . 2 . . . . . 42 LYS HE . 17610 1 519 . 1 1 48 48 LYS C C 13 173.710 0.000 . 1 . . . . . 42 LYS C . 17610 1 520 . 1 1 48 48 LYS CA C 13 55.651 0.090 . 1 . . . . . 42 LYS CA . 17610 1 521 . 1 1 48 48 LYS CB C 13 38.139 0.058 . 1 . . . . . 42 LYS CB . 17610 1 522 . 1 1 48 48 LYS CG C 13 25.153 0.098 . 1 . . . . . 42 LYS CG . 17610 1 523 . 1 1 48 48 LYS CD C 13 30.418 0.112 . 1 . . . . . 42 LYS CD . 17610 1 524 . 1 1 48 48 LYS CE C 13 42.344 0.045 . 1 . . . . . 42 LYS CE . 17610 1 525 . 1 1 48 48 LYS N N 15 123.924 0.096 . 1 . . . . . 42 LYS N . 17610 1 526 . 1 1 49 49 GLN H H 1 8.897 0.005 . 1 . . . . . 43 GLN H . 17610 1 527 . 1 1 49 49 GLN HA H 1 5.230 0.004 . 1 . . . . . 43 GLN HA . 17610 1 528 . 1 1 49 49 GLN HB2 H 1 1.948 0.008 . 2 . . . . . 43 GLN HB . 17610 1 529 . 1 1 49 49 GLN HB3 H 1 1.948 0.008 . 2 . . . . . 43 GLN HB . 17610 1 530 . 1 1 49 49 GLN HG2 H 1 2.128 0.009 . 2 . . . . . 43 GLN HG2 . 17610 1 531 . 1 1 49 49 GLN HG3 H 1 2.244 0.006 . 2 . . . . . 43 GLN HG3 . 17610 1 532 . 1 1 49 49 GLN HE21 H 1 6.812 0.003 . 2 . . . . . 43 GLN HE21 . 17610 1 533 . 1 1 49 49 GLN HE22 H 1 7.262 0.003 . 2 . . . . . 43 GLN HE22 . 17610 1 534 . 1 1 49 49 GLN C C 13 175.254 0.000 . 1 . . . . . 43 GLN C . 17610 1 535 . 1 1 49 49 GLN CA C 13 55.496 0.094 . 1 . . . . . 43 GLN CA . 17610 1 536 . 1 1 49 49 GLN CB C 13 29.892 0.046 . 1 . . . . . 43 GLN CB . 17610 1 537 . 1 1 49 49 GLN CG C 13 34.540 0.126 . 1 . . . . . 43 GLN CG . 17610 1 538 . 1 1 49 49 GLN N N 15 130.301 0.075 . 1 . . . . . 43 GLN N . 17610 1 539 . 1 1 49 49 GLN NE2 N 15 112.751 0.080 . 1 . . . . . 43 GLN NE2 . 17610 1 540 . 1 1 50 50 VAL H H 1 9.104 0.003 . 1 . . . . . 44 VAL H . 17610 1 541 . 1 1 50 50 VAL HA H 1 4.772 0.000 . 1 . . . . . 44 VAL HA . 17610 1 542 . 1 1 50 50 VAL HB H 1 2.059 0.007 . 1 . . . . . 44 VAL HB . 17610 1 543 . 1 1 50 50 VAL HG11 H 1 0.672 0.009 . 2 . . . . . 44 VAL HG1 . 17610 1 544 . 1 1 50 50 VAL HG12 H 1 0.672 0.009 . 2 . . . . . 44 VAL HG1 . 17610 1 545 . 1 1 50 50 VAL HG13 H 1 0.672 0.009 . 2 . . . . . 44 VAL HG1 . 17610 1 546 . 1 1 50 50 VAL HG21 H 1 0.846 0.006 . 2 . . . . . 44 VAL HG2 . 17610 1 547 . 1 1 50 50 VAL HG22 H 1 0.846 0.006 . 2 . . . . . 44 VAL HG2 . 17610 1 548 . 1 1 50 50 VAL HG23 H 1 0.846 0.006 . 2 . . . . . 44 VAL HG2 . 17610 1 549 . 1 1 50 50 VAL C C 13 173.116 0.000 . 1 . . . . . 44 VAL C . 17610 1 550 . 1 1 50 50 VAL CA C 13 59.238 0.000 . 1 . . . . . 44 VAL CA . 17610 1 551 . 1 1 50 50 VAL CB C 13 35.888 0.098 . 1 . . . . . 44 VAL CB . 17610 1 552 . 1 1 50 50 VAL CG1 C 13 19.758 0.091 . 2 . . . . . 44 VAL CG1 . 17610 1 553 . 1 1 50 50 VAL CG2 C 13 21.684 0.045 . 2 . . . . . 44 VAL CG2 . 17610 1 554 . 1 1 50 50 VAL N N 15 122.354 0.067 . 1 . . . . . 44 VAL N . 17610 1 555 . 1 1 51 51 VAL H H 1 8.100 0.007 . 1 . . . . . 45 VAL H . 17610 1 556 . 1 1 51 51 VAL HA H 1 4.462 0.007 . 1 . . . . . 45 VAL HA . 17610 1 557 . 1 1 51 51 VAL HB H 1 1.859 0.005 . 1 . . . . . 45 VAL HB . 17610 1 558 . 1 1 51 51 VAL HG11 H 1 0.646 0.002 . 2 . . . . . 45 VAL HG1 . 17610 1 559 . 1 1 51 51 VAL HG12 H 1 0.646 0.002 . 2 . . . . . 45 VAL HG1 . 17610 1 560 . 1 1 51 51 VAL HG13 H 1 0.646 0.002 . 2 . . . . . 45 VAL HG1 . 17610 1 561 . 1 1 51 51 VAL HG21 H 1 0.880 0.009 . 2 . . . . . 45 VAL HG2 . 17610 1 562 . 1 1 51 51 VAL HG22 H 1 0.880 0.009 . 2 . . . . . 45 VAL HG2 . 17610 1 563 . 1 1 51 51 VAL HG23 H 1 0.880 0.009 . 2 . . . . . 45 VAL HG2 . 17610 1 564 . 1 1 51 51 VAL C C 13 175.450 0.000 . 1 . . . . . 45 VAL C . 17610 1 565 . 1 1 51 51 VAL CA C 13 61.832 0.019 . 1 . . . . . 45 VAL CA . 17610 1 566 . 1 1 51 51 VAL CB C 13 32.228 0.048 . 1 . . . . . 45 VAL CB . 17610 1 567 . 1 1 51 51 VAL CG1 C 13 20.969 0.109 . 2 . . . . . 45 VAL CG1 . 17610 1 568 . 1 1 51 51 VAL CG2 C 13 20.868 0.057 . 2 . . . . . 45 VAL CG2 . 17610 1 569 . 1 1 51 51 VAL N N 15 122.385 0.062 . 1 . . . . . 45 VAL N . 17610 1 570 . 1 1 52 52 ILE H H 1 8.118 0.004 . 1 . . . . . 46 ILE H . 17610 1 571 . 1 1 52 52 ILE HA H 1 3.995 0.005 . 1 . . . . . 46 ILE HA . 17610 1 572 . 1 1 52 52 ILE HB H 1 1.310 0.006 . 1 . . . . . 46 ILE HB . 17610 1 573 . 1 1 52 52 ILE HG12 H 1 -0.367 0.006 . 2 . . . . . 46 ILE HG12 . 17610 1 574 . 1 1 52 52 ILE HG13 H 1 0.861 0.006 . 2 . . . . . 46 ILE HG13 . 17610 1 575 . 1 1 52 52 ILE HG21 H 1 0.533 0.005 . 1 . . . . . 46 ILE HG2 . 17610 1 576 . 1 1 52 52 ILE HG22 H 1 0.533 0.005 . 1 . . . . . 46 ILE HG2 . 17610 1 577 . 1 1 52 52 ILE HG23 H 1 0.533 0.005 . 1 . . . . . 46 ILE HG2 . 17610 1 578 . 1 1 52 52 ILE HD11 H 1 0.412 0.005 . 1 . . . . . 46 ILE HD1 . 17610 1 579 . 1 1 52 52 ILE HD12 H 1 0.412 0.005 . 1 . . . . . 46 ILE HD1 . 17610 1 580 . 1 1 52 52 ILE HD13 H 1 0.412 0.005 . 1 . . . . . 46 ILE HD1 . 17610 1 581 . 1 1 52 52 ILE C C 13 176.424 0.000 . 1 . . . . . 46 ILE C . 17610 1 582 . 1 1 52 52 ILE CA C 13 60.343 0.241 . 1 . . . . . 46 ILE CA . 17610 1 583 . 1 1 52 52 ILE CB C 13 40.096 0.048 . 1 . . . . . 46 ILE CB . 17610 1 584 . 1 1 52 52 ILE CG1 C 13 25.956 0.063 . 1 . . . . . 46 ILE CG1 . 17610 1 585 . 1 1 52 52 ILE CG2 C 13 16.429 0.148 . 1 . . . . . 46 ILE CG2 . 17610 1 586 . 1 1 52 52 ILE CD1 C 13 15.039 0.028 . 1 . . . . . 46 ILE CD1 . 17610 1 587 . 1 1 52 52 ILE N N 15 126.953 0.076 . 1 . . . . . 46 ILE N . 17610 1 588 . 1 1 53 53 ASP H H 1 9.605 0.004 . 1 . . . . . 47 ASP H . 17610 1 589 . 1 1 53 53 ASP HA H 1 4.267 0.005 . 1 . . . . . 47 ASP HA . 17610 1 590 . 1 1 53 53 ASP HB2 H 1 2.776 0.005 . 2 . . . . . 47 ASP HB2 . 17610 1 591 . 1 1 53 53 ASP HB3 H 1 2.901 0.010 . 2 . . . . . 47 ASP HB3 . 17610 1 592 . 1 1 53 53 ASP C C 13 176.121 0.000 . 1 . . . . . 47 ASP C . 17610 1 593 . 1 1 53 53 ASP CA C 13 55.267 0.029 . 1 . . . . . 47 ASP CA . 17610 1 594 . 1 1 53 53 ASP CB C 13 39.203 0.041 . 1 . . . . . 47 ASP CB . 17610 1 595 . 1 1 53 53 ASP N N 15 132.206 0.121 . 1 . . . . . 47 ASP N . 17610 1 596 . 1 1 54 54 GLY H H 1 8.332 0.003 . 1 . . . . . 48 GLY H . 17610 1 597 . 1 1 54 54 GLY HA2 H 1 3.457 0.005 . 2 . . . . . 48 GLY HA2 . 17610 1 598 . 1 1 54 54 GLY HA3 H 1 4.146 0.005 . 2 . . . . . 48 GLY HA3 . 17610 1 599 . 1 1 54 54 GLY C C 13 173.219 0.000 . 1 . . . . . 48 GLY C . 17610 1 600 . 1 1 54 54 GLY CA C 13 45.318 0.068 . 1 . . . . . 48 GLY CA . 17610 1 601 . 1 1 54 54 GLY N N 15 104.275 0.082 . 1 . . . . . 48 GLY N . 17610 1 602 . 1 1 55 55 GLU H H 1 7.684 0.003 . 1 . . . . . 49 GLU H . 17610 1 603 . 1 1 55 55 GLU HA H 1 4.691 0.004 . 1 . . . . . 49 GLU HA . 17610 1 604 . 1 1 55 55 GLU HB2 H 1 1.835 0.003 . 2 . . . . . 49 GLU HB2 . 17610 1 605 . 1 1 55 55 GLU HB3 H 1 2.013 0.006 . 2 . . . . . 49 GLU HB3 . 17610 1 606 . 1 1 55 55 GLU HG2 H 1 2.102 0.007 . 2 . . . . . 49 GLU HG2 . 17610 1 607 . 1 1 55 55 GLU HG3 H 1 2.273 0.004 . 2 . . . . . 49 GLU HG3 . 17610 1 608 . 1 1 55 55 GLU C C 13 175.614 0.000 . 1 . . . . . 49 GLU C . 17610 1 609 . 1 1 55 55 GLU CA C 13 54.719 0.091 . 1 . . . . . 49 GLU CA . 17610 1 610 . 1 1 55 55 GLU CB C 13 31.803 0.067 . 1 . . . . . 49 GLU CB . 17610 1 611 . 1 1 55 55 GLU CG C 13 36.012 0.074 . 1 . . . . . 49 GLU CG . 17610 1 612 . 1 1 55 55 GLU N N 15 123.384 0.055 . 1 . . . . . 49 GLU N . 17610 1 613 . 1 1 56 56 THR H H 1 8.951 0.004 . 1 . . . . . 50 THR H . 17610 1 614 . 1 1 56 56 THR HA H 1 4.727 0.006 . 1 . . . . . 50 THR HA . 17610 1 615 . 1 1 56 56 THR HB H 1 4.069 0.004 . 1 . . . . . 50 THR HB . 17610 1 616 . 1 1 56 56 THR HG21 H 1 1.197 0.002 . 2 . . . . . 50 THR HG2 . 17610 1 617 . 1 1 56 56 THR HG22 H 1 1.197 0.002 . 2 . . . . . 50 THR HG2 . 17610 1 618 . 1 1 56 56 THR HG23 H 1 1.197 0.002 . 2 . . . . . 50 THR HG2 . 17610 1 619 . 1 1 56 56 THR C C 13 173.530 0.000 . 1 . . . . . 50 THR C . 17610 1 620 . 1 1 56 56 THR CA C 13 63.521 0.041 . 1 . . . . . 50 THR CA . 17610 1 621 . 1 1 56 56 THR CB C 13 68.478 0.053 . 1 . . . . . 50 THR CB . 17610 1 622 . 1 1 56 56 THR CG2 C 13 22.024 0.084 . 1 . . . . . 50 THR CG2 . 17610 1 623 . 1 1 56 56 THR N N 15 127.153 0.060 . 1 . . . . . 50 THR N . 17610 1 624 . 1 1 57 57 CYS H H 1 9.424 0.004 . 1 . . . . . 51 CYS H . 17610 1 625 . 1 1 57 57 CYS HA H 1 5.086 0.007 . 1 . . . . . 51 CYS HA . 17610 1 626 . 1 1 57 57 CYS HB2 H 1 2.823 0.006 . 2 . . . . . 51 CYS HB2 . 17610 1 627 . 1 1 57 57 CYS HB3 H 1 3.045 0.006 . 2 . . . . . 51 CYS HB3 . 17610 1 628 . 1 1 57 57 CYS C C 13 170.937 0.000 . 1 . . . . . 51 CYS C . 17610 1 629 . 1 1 57 57 CYS CA C 13 56.423 0.084 . 1 . . . . . 51 CYS CA . 17610 1 630 . 1 1 57 57 CYS CB C 13 31.549 0.145 . 1 . . . . . 51 CYS CB . 17610 1 631 . 1 1 57 57 CYS N N 15 124.835 0.074 . 1 . . . . . 51 CYS N . 17610 1 632 . 1 1 58 58 LEU H H 1 8.803 0.002 . 1 . . . . . 52 LEU H . 17610 1 633 . 1 1 58 58 LEU HA H 1 4.943 0.005 . 1 . . . . . 52 LEU HA . 17610 1 634 . 1 1 58 58 LEU HB2 H 1 1.471 0.006 . 2 . . . . . 52 LEU HB2 . 17610 1 635 . 1 1 58 58 LEU HB3 H 1 1.574 0.006 . 2 . . . . . 52 LEU HB3 . 17610 1 636 . 1 1 58 58 LEU HG H 1 1.465 0.003 . 1 . . . . . 52 LEU HG . 17610 1 637 . 1 1 58 58 LEU HD11 H 1 0.777 0.004 . 2 . . . . . 52 LEU HD1 . 17610 1 638 . 1 1 58 58 LEU HD12 H 1 0.777 0.004 . 2 . . . . . 52 LEU HD1 . 17610 1 639 . 1 1 58 58 LEU HD13 H 1 0.777 0.004 . 2 . . . . . 52 LEU HD1 . 17610 1 640 . 1 1 58 58 LEU HD21 H 1 0.792 0.007 . 2 . . . . . 52 LEU HD2 . 17610 1 641 . 1 1 58 58 LEU HD22 H 1 0.792 0.007 . 2 . . . . . 52 LEU HD2 . 17610 1 642 . 1 1 58 58 LEU HD23 H 1 0.792 0.007 . 2 . . . . . 52 LEU HD2 . 17610 1 643 . 1 1 58 58 LEU C C 13 175.044 0.000 . 1 . . . . . 52 LEU C . 17610 1 644 . 1 1 58 58 LEU CA C 13 53.372 0.082 . 1 . . . . . 52 LEU CA . 17610 1 645 . 1 1 58 58 LEU CB C 13 44.304 0.077 . 1 . . . . . 52 LEU CB . 17610 1 646 . 1 1 58 58 LEU CG C 13 27.239 0.039 . 1 . . . . . 52 LEU CG . 17610 1 647 . 1 1 58 58 LEU CD1 C 13 24.641 0.171 . 2 . . . . . 52 LEU CD1 . 17610 1 648 . 1 1 58 58 LEU CD2 C 13 24.803 0.105 . 2 . . . . . 52 LEU CD2 . 17610 1 649 . 1 1 58 58 LEU N N 15 123.111 0.089 . 1 . . . . . 52 LEU N . 17610 1 650 . 1 1 59 59 LEU H H 1 9.054 0.008 . 1 . . . . . 53 LEU H . 17610 1 651 . 1 1 59 59 LEU HA H 1 4.888 0.009 . 1 . . . . . 53 LEU HA . 17610 1 652 . 1 1 59 59 LEU HB2 H 1 1.184 0.005 . 2 . . . . . 53 LEU HB2 . 17610 1 653 . 1 1 59 59 LEU HB3 H 1 1.926 0.011 . 2 . . . . . 53 LEU HB3 . 17610 1 654 . 1 1 59 59 LEU HG H 1 1.893 0.005 . 1 . . . . . 53 LEU HG . 17610 1 655 . 1 1 59 59 LEU HD11 H 1 0.793 0.003 . 2 . . . . . 53 LEU HD1 . 17610 1 656 . 1 1 59 59 LEU HD12 H 1 0.793 0.003 . 2 . . . . . 53 LEU HD1 . 17610 1 657 . 1 1 59 59 LEU HD13 H 1 0.793 0.003 . 2 . . . . . 53 LEU HD1 . 17610 1 658 . 1 1 59 59 LEU HD21 H 1 0.830 0.004 . 2 . . . . . 53 LEU HD2 . 17610 1 659 . 1 1 59 59 LEU HD22 H 1 0.830 0.004 . 2 . . . . . 53 LEU HD2 . 17610 1 660 . 1 1 59 59 LEU HD23 H 1 0.830 0.004 . 2 . . . . . 53 LEU HD2 . 17610 1 661 . 1 1 59 59 LEU C C 13 174.358 0.000 . 1 . . . . . 53 LEU C . 17610 1 662 . 1 1 59 59 LEU CA C 13 53.490 0.000 . 1 . . . . . 53 LEU CA . 17610 1 663 . 1 1 59 59 LEU CB C 13 42.195 0.057 . 1 . . . . . 53 LEU CB . 17610 1 664 . 1 1 59 59 LEU CG C 13 26.875 0.308 . 1 . . . . . 53 LEU CG . 17610 1 665 . 1 1 59 59 LEU CD1 C 13 24.831 0.000 . 2 . . . . . 53 LEU CD1 . 17610 1 666 . 1 1 59 59 LEU CD2 C 13 23.981 0.071 . 2 . . . . . 53 LEU CD2 . 17610 1 667 . 1 1 59 59 LEU N N 15 124.540 0.067 . 1 . . . . . 53 LEU N . 17610 1 668 . 1 1 60 60 ASP H H 1 8.739 0.006 . 1 . . . . . 54 ASP H . 17610 1 669 . 1 1 60 60 ASP HA H 1 5.225 0.012 . 1 . . . . . 54 ASP HA . 17610 1 670 . 1 1 60 60 ASP HB2 H 1 2.237 0.009 . 2 . . . . . 54 ASP HB2 . 17610 1 671 . 1 1 60 60 ASP HB3 H 1 2.829 0.006 . 2 . . . . . 54 ASP HB3 . 17610 1 672 . 1 1 60 60 ASP C C 13 174.846 0.000 . 1 . . . . . 54 ASP C . 17610 1 673 . 1 1 60 60 ASP CA C 13 53.040 0.074 . 1 . . . . . 54 ASP CA . 17610 1 674 . 1 1 60 60 ASP CB C 13 42.622 0.089 . 1 . . . . . 54 ASP CB . 17610 1 675 . 1 1 60 60 ASP N N 15 126.666 0.100 . 1 . . . . . 54 ASP N . 17610 1 676 . 1 1 61 61 ILE H H 1 9.115 0.009 . 1 . . . . . 55 ILE H . 17610 1 677 . 1 1 61 61 ILE HA H 1 4.690 0.006 . 1 . . . . . 55 ILE HA . 17610 1 678 . 1 1 61 61 ILE HB H 1 1.841 0.006 . 1 . . . . . 55 ILE HB . 17610 1 679 . 1 1 61 61 ILE HG12 H 1 1.000 0.007 . 2 . . . . . 55 ILE HG12 . 17610 1 680 . 1 1 61 61 ILE HG13 H 1 1.397 0.007 . 2 . . . . . 55 ILE HG13 . 17610 1 681 . 1 1 61 61 ILE HG21 H 1 0.869 0.008 . 1 . . . . . 55 ILE HG2 . 17610 1 682 . 1 1 61 61 ILE HG22 H 1 0.869 0.008 . 1 . . . . . 55 ILE HG2 . 17610 1 683 . 1 1 61 61 ILE HG23 H 1 0.869 0.008 . 1 . . . . . 55 ILE HG2 . 17610 1 684 . 1 1 61 61 ILE HD11 H 1 0.538 0.005 . 1 . . . . . 55 ILE HD1 . 17610 1 685 . 1 1 61 61 ILE HD12 H 1 0.538 0.005 . 1 . . . . . 55 ILE HD1 . 17610 1 686 . 1 1 61 61 ILE HD13 H 1 0.538 0.005 . 1 . . . . . 55 ILE HD1 . 17610 1 687 . 1 1 61 61 ILE C C 13 174.745 0.000 . 1 . . . . . 55 ILE C . 17610 1 688 . 1 1 61 61 ILE CA C 13 60.331 0.071 . 1 . . . . . 55 ILE CA . 17610 1 689 . 1 1 61 61 ILE CB C 13 39.682 0.042 . 1 . . . . . 55 ILE CB . 17610 1 690 . 1 1 61 61 ILE CG1 C 13 27.885 0.085 . 1 . . . . . 55 ILE CG1 . 17610 1 691 . 1 1 61 61 ILE CG2 C 13 19.479 0.129 . 1 . . . . . 55 ILE CG2 . 17610 1 692 . 1 1 61 61 ILE CD1 C 13 14.365 0.048 . 1 . . . . . 55 ILE CD1 . 17610 1 693 . 1 1 61 61 ILE N N 15 125.100 0.054 . 1 . . . . . 55 ILE N . 17610 1 694 . 1 1 62 62 LEU H H 1 9.014 0.008 . 1 . . . . . 56 LEU H . 17610 1 695 . 1 1 62 62 LEU HA H 1 4.667 0.004 . 1 . . . . . 56 LEU HA . 17610 1 696 . 1 1 62 62 LEU HB2 H 1 1.422 0.006 . 2 . . . . . 56 LEU HB . 17610 1 697 . 1 1 62 62 LEU HB3 H 1 1.422 0.006 . 2 . . . . . 56 LEU HB . 17610 1 698 . 1 1 62 62 LEU HG H 1 1.308 0.004 . 1 . . . . . 56 LEU HG . 17610 1 699 . 1 1 62 62 LEU HD11 H 1 0.552 0.005 . 2 . . . . . 56 LEU HD1 . 17610 1 700 . 1 1 62 62 LEU HD12 H 1 0.552 0.005 . 2 . . . . . 56 LEU HD1 . 17610 1 701 . 1 1 62 62 LEU HD13 H 1 0.552 0.005 . 2 . . . . . 56 LEU HD1 . 17610 1 702 . 1 1 62 62 LEU HD21 H 1 0.632 0.005 . 2 . . . . . 56 LEU HD2 . 17610 1 703 . 1 1 62 62 LEU HD22 H 1 0.632 0.005 . 2 . . . . . 56 LEU HD2 . 17610 1 704 . 1 1 62 62 LEU HD23 H 1 0.632 0.005 . 2 . . . . . 56 LEU HD2 . 17610 1 705 . 1 1 62 62 LEU C C 13 174.063 0.000 . 1 . . . . . 56 LEU C . 17610 1 706 . 1 1 62 62 LEU CA C 13 53.795 0.222 . 1 . . . . . 56 LEU CA . 17610 1 707 . 1 1 62 62 LEU CB C 13 42.256 0.066 . 1 . . . . . 56 LEU CB . 17610 1 708 . 1 1 62 62 LEU CG C 13 26.843 0.028 . 1 . . . . . 56 LEU CG . 17610 1 709 . 1 1 62 62 LEU CD1 C 13 25.255 0.041 . 2 . . . . . 56 LEU CD1 . 17610 1 710 . 1 1 62 62 LEU CD2 C 13 23.776 0.068 . 2 . . . . . 56 LEU CD2 . 17610 1 711 . 1 1 62 62 LEU N N 15 131.208 0.090 . 1 . . . . . 56 LEU N . 17610 1 712 . 1 1 63 63 ASP H H 1 8.657 0.010 . 1 . . . . . 57 ASP H . 17610 1 713 . 1 1 63 63 ASP HA H 1 4.783 0.000 . 1 . . . . . 57 ASP HA . 17610 1 714 . 1 1 63 63 ASP HB2 H 1 2.546 0.007 . 2 . . . . . 57 ASP HB2 . 17610 1 715 . 1 1 63 63 ASP HB3 H 1 2.886 0.008 . 2 . . . . . 57 ASP HB3 . 17610 1 716 . 1 1 63 63 ASP C C 13 176.341 0.000 . 1 . . . . . 57 ASP C . 17610 1 717 . 1 1 63 63 ASP CA C 13 52.988 0.000 . 1 . . . . . 57 ASP CA . 17610 1 718 . 1 1 63 63 ASP CB C 13 41.837 0.000 . 1 . . . . . 57 ASP CB . 17610 1 719 . 1 1 63 63 ASP N N 15 128.415 0.091 . 1 . . . . . 57 ASP N . 17610 1 720 . 1 1 64 64 THR H H 1 7.369 0.005 . 1 . . . . . 58 THR H . 17610 1 721 . 1 1 64 64 THR HA H 1 4.425 0.006 . 1 . . . . . 58 THR HA . 17610 1 722 . 1 1 64 64 THR HB H 1 4.256 0.007 . 1 . . . . . 58 THR HB . 17610 1 723 . 1 1 64 64 THR HG21 H 1 1.075 0.005 . 2 . . . . . 58 THR HG2 . 17610 1 724 . 1 1 64 64 THR HG22 H 1 1.075 0.005 . 2 . . . . . 58 THR HG2 . 17610 1 725 . 1 1 64 64 THR HG23 H 1 1.075 0.005 . 2 . . . . . 58 THR HG2 . 17610 1 726 . 1 1 64 64 THR C C 13 172.734 0.000 . 1 . . . . . 58 THR C . 17610 1 727 . 1 1 64 64 THR CA C 13 61.488 0.080 . 1 . . . . . 58 THR CA . 17610 1 728 . 1 1 64 64 THR CB C 13 71.398 0.089 . 1 . . . . . 58 THR CB . 17610 1 729 . 1 1 64 64 THR CG2 C 13 22.361 0.100 . 1 . . . . . 58 THR CG2 . 17610 1 730 . 1 1 64 64 THR N N 15 114.950 0.115 . 1 . . . . . 58 THR N . 17610 1 731 . 1 1 65 65 ALA H H 1 8.329 0.004 . 1 . . . . . 59 ALA H . 17610 1 732 . 1 1 65 65 ALA HA H 1 4.764 0.010 . 1 . . . . . 59 ALA HA . 17610 1 733 . 1 1 65 65 ALA HB1 H 1 1.491 0.004 . 1 . . . . . 59 ALA HB . 17610 1 734 . 1 1 65 65 ALA HB2 H 1 1.491 0.004 . 1 . . . . . 59 ALA HB . 17610 1 735 . 1 1 65 65 ALA HB3 H 1 1.491 0.004 . 1 . . . . . 59 ALA HB . 17610 1 736 . 1 1 65 65 ALA C C 13 179.480 0.000 . 1 . . . . . 59 ALA C . 17610 1 737 . 1 1 65 65 ALA CA C 13 51.422 0.160 . 1 . . . . . 59 ALA CA . 17610 1 738 . 1 1 65 65 ALA CB C 13 20.796 0.038 . 1 . . . . . 59 ALA CB . 17610 1 739 . 1 1 65 65 ALA N N 15 123.940 0.084 . 1 . . . . . 59 ALA N . 17610 1 740 . 1 1 66 66 GLY H H 1 9.397 0.004 . 1 . . . . . 60 GLY H . 17610 1 741 . 1 1 66 66 GLY HA2 H 1 3.835 0.008 . 2 . . . . . 60 GLY HA2 . 17610 1 742 . 1 1 66 66 GLY HA3 H 1 4.337 0.005 . 2 . . . . . 60 GLY HA3 . 17610 1 743 . 1 1 66 66 GLY C C 13 174.938 0.000 . 1 . . . . . 60 GLY C . 17610 1 744 . 1 1 66 66 GLY CA C 13 46.057 0.070 . 1 . . . . . 60 GLY CA . 17610 1 745 . 1 1 66 66 GLY N N 15 112.527 0.089 . 1 . . . . . 60 GLY N . 17610 1 746 . 1 1 67 67 GLN H H 1 8.237 0.003 . 1 . . . . . 61 GLN H . 17610 1 747 . 1 1 67 67 GLN HA H 1 4.422 0.006 . 1 . . . . . 61 GLN HA . 17610 1 748 . 1 1 67 67 GLN HB2 H 1 2.069 0.007 . 2 . . . . . 61 GLN HB2 . 17610 1 749 . 1 1 67 67 GLN HB3 H 1 2.229 0.004 . 2 . . . . . 61 GLN HB3 . 17610 1 750 . 1 1 67 67 GLN HG2 H 1 2.405 0.003 . 2 . . . . . 61 GLN HG2 . 17610 1 751 . 1 1 67 67 GLN HG3 H 1 2.450 0.001 . 2 . . . . . 61 GLN HG3 . 17610 1 752 . 1 1 67 67 GLN HE21 H 1 7.080 0.008 . 2 . . . . . 61 GLN HE21 . 17610 1 753 . 1 1 67 67 GLN HE22 H 1 7.629 0.004 . 2 . . . . . 61 GLN HE22 . 17610 1 754 . 1 1 67 67 GLN C C 13 176.298 0.000 . 1 . . . . . 61 GLN C . 17610 1 755 . 1 1 67 67 GLN CA C 13 56.355 0.093 . 1 . . . . . 61 GLN CA . 17610 1 756 . 1 1 67 67 GLN CB C 13 29.438 0.079 . 1 . . . . . 61 GLN CB . 17610 1 757 . 1 1 67 67 GLN CG C 13 34.086 0.062 . 1 . . . . . 61 GLN CG . 17610 1 758 . 1 1 67 67 GLN N N 15 120.877 0.148 . 1 . . . . . 61 GLN N . 17610 1 759 . 1 1 67 67 GLN NE2 N 15 113.943 0.061 . 1 . . . . . 61 GLN NE2 . 17610 1 760 . 1 1 68 68 GLU H H 1 8.738 0.015 . 1 . . . . . 62 GLU H . 17610 1 761 . 1 1 68 68 GLU HA H 1 4.208 0.002 . 1 . . . . . 62 GLU HA . 17610 1 762 . 1 1 68 68 GLU HB2 H 1 2.029 0.005 . 2 . . . . . 62 GLU HB2 . 17610 1 763 . 1 1 68 68 GLU HB3 H 1 2.072 0.012 . 2 . . . . . 62 GLU HB3 . 17610 1 764 . 1 1 68 68 GLU HG2 H 1 2.328 0.006 . 2 . . . . . 62 GLU HG . 17610 1 765 . 1 1 68 68 GLU HG3 H 1 2.328 0.006 . 2 . . . . . 62 GLU HG . 17610 1 766 . 1 1 68 68 GLU C C 13 177.032 0.000 . 1 . . . . . 62 GLU C . 17610 1 767 . 1 1 68 68 GLU CA C 13 57.801 0.120 . 1 . . . . . 62 GLU CA . 17610 1 768 . 1 1 68 68 GLU CB C 13 29.834 0.135 . 1 . . . . . 62 GLU CB . 17610 1 769 . 1 1 68 68 GLU CG C 13 36.189 0.036 . 1 . . . . . 62 GLU CG . 17610 1 770 . 1 1 68 68 GLU N N 15 123.751 0.098 . 1 . . . . . 62 GLU N . 17610 1 771 . 1 1 69 69 GLU H H 1 8.607 0.008 . 1 . . . . . 63 GLU H . 17610 1 772 . 1 1 69 69 GLU HA H 1 4.228 0.008 . 1 . . . . . 63 GLU HA . 17610 1 773 . 1 1 69 69 GLU HB2 H 1 1.886 0.003 . 2 . . . . . 63 GLU HB . 17610 1 774 . 1 1 69 69 GLU HB3 H 1 1.886 0.003 . 2 . . . . . 63 GLU HB . 17610 1 775 . 1 1 69 69 GLU HG2 H 1 2.090 0.000 . 2 . . . . . 63 GLU HG2 . 17610 1 776 . 1 1 69 69 GLU HG3 H 1 2.134 0.000 . 2 . . . . . 63 GLU HG3 . 17610 1 777 . 1 1 69 69 GLU C C 13 176.145 0.000 . 1 . . . . . 63 GLU C . 17610 1 778 . 1 1 69 69 GLU CA C 13 57.026 0.027 . 1 . . . . . 63 GLU CA . 17610 1 779 . 1 1 69 69 GLU CB C 13 30.231 0.000 . 1 . . . . . 63 GLU CB . 17610 1 780 . 1 1 69 69 GLU CG C 13 36.006 0.062 . 1 . . . . . 63 GLU CG . 17610 1 781 . 1 1 69 69 GLU N N 15 121.861 0.094 . 1 . . . . . 63 GLU N . 17610 1 782 . 1 1 70 70 TYR H H 1 8.225 0.007 . 1 . . . . . 64 TYR H . 17610 1 783 . 1 1 70 70 TYR HA H 1 4.587 0.003 . 1 . . . . . 64 TYR HA . 17610 1 784 . 1 1 70 70 TYR HB2 H 1 2.945 0.010 . 2 . . . . . 64 TYR HB2 . 17610 1 785 . 1 1 70 70 TYR HB3 H 1 3.128 0.006 . 2 . . . . . 64 TYR HB3 . 17610 1 786 . 1 1 70 70 TYR HD1 H 1 7.104 0.008 . 3 . . . . . 64 TYR HD . 17610 1 787 . 1 1 70 70 TYR HD2 H 1 7.104 0.008 . 3 . . . . . 64 TYR HD . 17610 1 788 . 1 1 70 70 TYR HE1 H 1 6.816 0.010 . 3 . . . . . 64 TYR HE . 17610 1 789 . 1 1 70 70 TYR HE2 H 1 6.816 0.010 . 3 . . . . . 64 TYR HE . 17610 1 790 . 1 1 70 70 TYR C C 13 175.965 0.000 . 1 . . . . . 64 TYR C . 17610 1 791 . 1 1 70 70 TYR CA C 13 58.160 0.111 . 1 . . . . . 64 TYR CA . 17610 1 792 . 1 1 70 70 TYR CB C 13 38.288 0.111 . 1 . . . . . 64 TYR CB . 17610 1 793 . 1 1 70 70 TYR CD1 C 13 132.903 0.092 . 3 . . . . . 64 TYR CD . 17610 1 794 . 1 1 70 70 TYR CD2 C 13 132.903 0.092 . 3 . . . . . 64 TYR CD . 17610 1 795 . 1 1 70 70 TYR CE1 C 13 118.308 0.000 . 3 . . . . . 64 TYR CE . 17610 1 796 . 1 1 70 70 TYR CE2 C 13 118.308 0.000 . 3 . . . . . 64 TYR CE . 17610 1 797 . 1 1 70 70 TYR N N 15 121.801 0.146 . 1 . . . . . 64 TYR N . 17610 1 798 . 1 1 71 71 SER H H 1 7.884 0.006 . 1 . . . . . 65 SER H . 17610 1 799 . 1 1 71 71 SER HA H 1 4.269 0.005 . 1 . . . . . 65 SER HA . 17610 1 800 . 1 1 71 71 SER HB2 H 1 3.807 0.002 . 2 . . . . . 65 SER HB2 . 17610 1 801 . 1 1 71 71 SER HB3 H 1 3.970 0.008 . 2 . . . . . 65 SER HB3 . 17610 1 802 . 1 1 71 71 SER C C 13 174.912 0.000 . 1 . . . . . 65 SER C . 17610 1 803 . 1 1 71 71 SER CA C 13 58.755 0.068 . 1 . . . . . 65 SER CA . 17610 1 804 . 1 1 71 71 SER CB C 13 63.755 0.205 . 1 . . . . . 65 SER CB . 17610 1 805 . 1 1 71 71 SER N N 15 120.137 0.075 . 1 . . . . . 65 SER N . 17610 1 806 . 1 1 72 72 ALA H H 1 8.706 0.006 . 1 . . . . . 66 ALA H . 17610 1 807 . 1 1 72 72 ALA HA H 1 4.193 0.004 . 1 . . . . . 66 ALA HA . 17610 1 808 . 1 1 72 72 ALA HB1 H 1 1.468 0.005 . 1 . . . . . 66 ALA HB . 17610 1 809 . 1 1 72 72 ALA HB2 H 1 1.468 0.005 . 1 . . . . . 66 ALA HB . 17610 1 810 . 1 1 72 72 ALA HB3 H 1 1.468 0.005 . 1 . . . . . 66 ALA HB . 17610 1 811 . 1 1 72 72 ALA C C 13 179.820 0.000 . 1 . . . . . 66 ALA C . 17610 1 812 . 1 1 72 72 ALA CA C 13 54.595 0.065 . 1 . . . . . 66 ALA CA . 17610 1 813 . 1 1 72 72 ALA CB C 13 18.264 0.109 . 1 . . . . . 66 ALA CB . 17610 1 814 . 1 1 72 72 ALA N N 15 127.848 0.035 . 1 . . . . . 66 ALA N . 17610 1 815 . 1 1 73 73 MET H H 1 8.007 0.004 . 1 . . . . . 67 MET H . 17610 1 816 . 1 1 73 73 MET HA H 1 4.271 0.007 . 1 . . . . . 67 MET HA . 17610 1 817 . 1 1 73 73 MET HB2 H 1 1.948 0.002 . 2 . . . . . 67 MET HB2 . 17610 1 818 . 1 1 73 73 MET HB3 H 1 2.013 0.002 . 2 . . . . . 67 MET HB3 . 17610 1 819 . 1 1 73 73 MET HG2 H 1 2.446 0.006 . 2 . . . . . 67 MET HG2 . 17610 1 820 . 1 1 73 73 MET HG3 H 1 2.547 0.003 . 2 . . . . . 67 MET HG3 . 17610 1 821 . 1 1 73 73 MET HE1 H 1 2.074 0.000 . 2 . . . . . 67 MET HE . 17610 1 822 . 1 1 73 73 MET HE2 H 1 2.074 0.000 . 2 . . . . . 67 MET HE . 17610 1 823 . 1 1 73 73 MET HE3 H 1 2.074 0.000 . 2 . . . . . 67 MET HE . 17610 1 824 . 1 1 73 73 MET C C 13 177.098 0.000 . 1 . . . . . 67 MET C . 17610 1 825 . 1 1 73 73 MET CA C 13 56.915 0.000 . 1 . . . . . 67 MET CA . 17610 1 826 . 1 1 73 73 MET CB C 13 32.031 0.159 . 1 . . . . . 67 MET CB . 17610 1 827 . 1 1 73 73 MET CG C 13 32.028 0.081 . 1 . . . . . 67 MET CG . 17610 1 828 . 1 1 73 73 MET CE C 13 16.890 0.058 . 1 . . . . . 67 MET CE . 17610 1 829 . 1 1 73 73 MET N N 15 118.448 0.068 . 1 . . . . . 67 MET N . 17610 1 830 . 1 1 74 74 ARG H H 1 7.761 0.008 . 1 . . . . . 68 ARG H . 17610 1 831 . 1 1 74 74 ARG HA H 1 3.793 0.005 . 1 . . . . . 68 ARG HA . 17610 1 832 . 1 1 74 74 ARG HB2 H 1 1.931 0.009 . 2 . . . . . 68 ARG HB . 17610 1 833 . 1 1 74 74 ARG HB3 H 1 1.931 0.009 . 2 . . . . . 68 ARG HB . 17610 1 834 . 1 1 74 74 ARG HG2 H 1 1.689 0.000 . 2 . . . . . 68 ARG HG2 . 17610 1 835 . 1 1 74 74 ARG HG3 H 1 1.747 0.001 . 2 . . . . . 68 ARG HG3 . 17610 1 836 . 1 1 74 74 ARG HD2 H 1 3.342 0.008 . 2 . . . . . 68 ARG HD . 17610 1 837 . 1 1 74 74 ARG HD3 H 1 3.342 0.008 . 2 . . . . . 68 ARG HD . 17610 1 838 . 1 1 74 74 ARG HE H 1 7.423 0.005 . 1 . . . . . 68 ARG HE . 17610 1 839 . 1 1 74 74 ARG C C 13 177.730 0.000 . 1 . . . . . 68 ARG C . 17610 1 840 . 1 1 74 74 ARG CA C 13 59.093 0.112 . 1 . . . . . 68 ARG CA . 17610 1 841 . 1 1 74 74 ARG CB C 13 30.118 0.000 . 1 . . . . . 68 ARG CB . 17610 1 842 . 1 1 74 74 ARG CG C 13 27.323 0.169 . 1 . . . . . 68 ARG CG . 17610 1 843 . 1 1 74 74 ARG CD C 13 43.713 0.080 . 1 . . . . . 68 ARG CD . 17610 1 844 . 1 1 74 74 ARG N N 15 121.351 0.072 . 1 . . . . . 68 ARG N . 17610 1 845 . 1 1 74 74 ARG NE N 15 85.415 0.055 . 1 . . . . . 68 ARG NE . 17610 1 846 . 1 1 75 75 ASP H H 1 8.077 0.004 . 1 . . . . . 69 ASP H . 17610 1 847 . 1 1 75 75 ASP HA H 1 4.286 0.009 . 1 . . . . . 69 ASP HA . 17610 1 848 . 1 1 75 75 ASP HB2 H 1 2.626 0.007 . 2 . . . . . 69 ASP HB2 . 17610 1 849 . 1 1 75 75 ASP HB3 H 1 2.766 0.007 . 2 . . . . . 69 ASP HB3 . 17610 1 850 . 1 1 75 75 ASP C C 13 177.998 0.000 . 1 . . . . . 69 ASP C . 17610 1 851 . 1 1 75 75 ASP CA C 13 57.555 0.126 . 1 . . . . . 69 ASP CA . 17610 1 852 . 1 1 75 75 ASP CB C 13 40.401 0.084 . 1 . . . . . 69 ASP CB . 17610 1 853 . 1 1 75 75 ASP N N 15 119.938 0.074 . 1 . . . . . 69 ASP N . 17610 1 854 . 1 1 76 76 GLN H H 1 7.789 0.005 . 1 . . . . . 70 GLN H . 17610 1 855 . 1 1 76 76 GLN HA H 1 4.050 0.010 . 1 . . . . . 70 GLN HA . 17610 1 856 . 1 1 76 76 GLN HB2 H 1 2.131 0.005 . 2 . . . . . 70 GLN HB2 . 17610 1 857 . 1 1 76 76 GLN HB3 H 1 2.176 0.004 . 2 . . . . . 70 GLN HB3 . 17610 1 858 . 1 1 76 76 GLN HG2 H 1 2.367 0.006 . 2 . . . . . 70 GLN HG . 17610 1 859 . 1 1 76 76 GLN HG3 H 1 2.367 0.006 . 2 . . . . . 70 GLN HG . 17610 1 860 . 1 1 76 76 GLN HE21 H 1 6.901 0.001 . 2 . . . . . 70 GLN HE21 . 17610 1 861 . 1 1 76 76 GLN HE22 H 1 7.466 0.001 . 2 . . . . . 70 GLN HE22 . 17610 1 862 . 1 1 76 76 GLN C C 13 178.837 0.000 . 1 . . . . . 70 GLN C . 17610 1 863 . 1 1 76 76 GLN CA C 13 58.920 0.088 . 1 . . . . . 70 GLN CA . 17610 1 864 . 1 1 76 76 GLN CB C 13 28.063 0.069 . 1 . . . . . 70 GLN CB . 17610 1 865 . 1 1 76 76 GLN CG C 13 33.519 0.068 . 1 . . . . . 70 GLN CG . 17610 1 866 . 1 1 76 76 GLN N N 15 119.151 0.043 . 1 . . . . . 70 GLN N . 17610 1 867 . 1 1 76 76 GLN NE2 N 15 113.254 0.141 . 1 . . . . . 70 GLN NE2 . 17610 1 868 . 1 1 77 77 TYR H H 1 8.131 0.006 . 1 . . . . . 71 TYR H . 17610 1 869 . 1 1 77 77 TYR HA H 1 4.548 0.004 . 1 . . . . . 71 TYR HA . 17610 1 870 . 1 1 77 77 TYR HB2 H 1 2.999 0.007 . 2 . . . . . 71 TYR HB2 . 17610 1 871 . 1 1 77 77 TYR HB3 H 1 3.216 0.004 . 2 . . . . . 71 TYR HB3 . 17610 1 872 . 1 1 77 77 TYR HD1 H 1 7.038 0.007 . 3 . . . . . 71 TYR HD . 17610 1 873 . 1 1 77 77 TYR HD2 H 1 7.038 0.007 . 3 . . . . . 71 TYR HD . 17610 1 874 . 1 1 77 77 TYR HE1 H 1 6.835 0.006 . 3 . . . . . 71 TYR HE . 17610 1 875 . 1 1 77 77 TYR HE2 H 1 6.835 0.006 . 3 . . . . . 71 TYR HE . 17610 1 876 . 1 1 77 77 TYR C C 13 178.680 0.000 . 1 . . . . . 71 TYR C . 17610 1 877 . 1 1 77 77 TYR CA C 13 58.785 0.060 . 1 . . . . . 71 TYR CA . 17610 1 878 . 1 1 77 77 TYR CB C 13 36.986 0.176 . 1 . . . . . 71 TYR CB . 17610 1 879 . 1 1 77 77 TYR CD1 C 13 132.415 0.012 . 3 . . . . . 71 TYR CD . 17610 1 880 . 1 1 77 77 TYR CD2 C 13 132.415 0.012 . 3 . . . . . 71 TYR CD . 17610 1 881 . 1 1 77 77 TYR CE1 C 13 118.419 0.000 . 3 . . . . . 71 TYR CE . 17610 1 882 . 1 1 77 77 TYR CE2 C 13 118.419 0.000 . 3 . . . . . 71 TYR CE . 17610 1 883 . 1 1 77 77 TYR N N 15 119.847 0.087 . 1 . . . . . 71 TYR N . 17610 1 884 . 1 1 78 78 MET H H 1 8.380 0.004 . 1 . . . . . 72 MET H . 17610 1 885 . 1 1 78 78 MET HA H 1 4.402 0.007 . 1 . . . . . 72 MET HA . 17610 1 886 . 1 1 78 78 MET HB2 H 1 1.966 0.003 . 2 . . . . . 72 MET HB2 . 17610 1 887 . 1 1 78 78 MET HB3 H 1 2.359 0.007 . 2 . . . . . 72 MET HB3 . 17610 1 888 . 1 1 78 78 MET HG2 H 1 2.457 0.012 . 2 . . . . . 72 MET HG2 . 17610 1 889 . 1 1 78 78 MET HG3 H 1 2.980 0.005 . 2 . . . . . 72 MET HG3 . 17610 1 890 . 1 1 78 78 MET HE1 H 1 2.085 0.005 . 2 . . . . . 72 MET HE . 17610 1 891 . 1 1 78 78 MET HE2 H 1 2.085 0.005 . 2 . . . . . 72 MET HE . 17610 1 892 . 1 1 78 78 MET HE3 H 1 2.085 0.005 . 2 . . . . . 72 MET HE . 17610 1 893 . 1 1 78 78 MET C C 13 177.008 0.000 . 1 . . . . . 72 MET C . 17610 1 894 . 1 1 78 78 MET CA C 13 59.028 0.057 . 1 . . . . . 72 MET CA . 17610 1 895 . 1 1 78 78 MET CB C 13 32.709 0.225 . 1 . . . . . 72 MET CB . 17610 1 896 . 1 1 78 78 MET CG C 13 30.911 0.081 . 1 . . . . . 72 MET CG . 17610 1 897 . 1 1 78 78 MET CE C 13 17.937 0.068 . 1 . . . . . 72 MET CE . 17610 1 898 . 1 1 78 78 MET N N 15 119.987 0.072 . 1 . . . . . 72 MET N . 17610 1 899 . 1 1 79 79 ARG H H 1 7.992 0.007 . 1 . . . . . 73 ARG H . 17610 1 900 . 1 1 79 79 ARG HA H 1 3.914 0.009 . 1 . . . . . 73 ARG HA . 17610 1 901 . 1 1 79 79 ARG HB2 H 1 1.953 0.005 . 2 . . . . . 73 ARG HB . 17610 1 902 . 1 1 79 79 ARG HB3 H 1 1.953 0.005 . 2 . . . . . 73 ARG HB . 17610 1 903 . 1 1 79 79 ARG HG2 H 1 1.697 0.002 . 2 . . . . . 73 ARG HG2 . 17610 1 904 . 1 1 79 79 ARG HG3 H 1 1.787 0.003 . 2 . . . . . 73 ARG HG3 . 17610 1 905 . 1 1 79 79 ARG HD2 H 1 3.218 0.004 . 2 . . . . . 73 ARG HD2 . 17610 1 906 . 1 1 79 79 ARG HD3 H 1 3.291 0.003 . 2 . . . . . 73 ARG HD3 . 17610 1 907 . 1 1 79 79 ARG C C 13 178.169 0.000 . 1 . . . . . 73 ARG C . 17610 1 908 . 1 1 79 79 ARG CA C 13 59.493 0.080 . 1 . . . . . 73 ARG CA . 17610 1 909 . 1 1 79 79 ARG CB C 13 30.100 0.109 . 1 . . . . . 73 ARG CB . 17610 1 910 . 1 1 79 79 ARG CG C 13 30.434 0.122 . 1 . . . . . 73 ARG CG . 17610 1 911 . 1 1 79 79 ARG CD C 13 43.414 0.082 . 1 . . . . . 73 ARG CD . 17610 1 912 . 1 1 79 79 ARG N N 15 117.792 0.082 . 1 . . . . . 73 ARG N . 17610 1 913 . 1 1 80 80 THR H H 1 7.718 0.007 . 1 . . . . . 74 THR H . 17610 1 914 . 1 1 80 80 THR HA H 1 4.242 0.007 . 1 . . . . . 74 THR HA . 17610 1 915 . 1 1 80 80 THR HB H 1 4.271 0.003 . 1 . . . . . 74 THR HB . 17610 1 916 . 1 1 80 80 THR HG21 H 1 1.289 0.002 . 2 . . . . . 74 THR HG2 . 17610 1 917 . 1 1 80 80 THR HG22 H 1 1.289 0.002 . 2 . . . . . 74 THR HG2 . 17610 1 918 . 1 1 80 80 THR HG23 H 1 1.289 0.002 . 2 . . . . . 74 THR HG2 . 17610 1 919 . 1 1 80 80 THR C C 13 175.640 0.000 . 1 . . . . . 74 THR C . 17610 1 920 . 1 1 80 80 THR CA C 13 62.863 0.012 . 1 . . . . . 74 THR CA . 17610 1 921 . 1 1 80 80 THR CB C 13 69.808 0.074 . 1 . . . . . 74 THR CB . 17610 1 922 . 1 1 80 80 THR CG2 C 13 21.868 0.055 . 1 . . . . . 74 THR CG2 . 17610 1 923 . 1 1 80 80 THR N N 15 110.012 0.053 . 1 . . . . . 74 THR N . 17610 1 924 . 1 1 81 81 GLY H H 1 7.852 0.003 . 1 . . . . . 75 GLY H . 17610 1 925 . 1 1 81 81 GLY HA2 H 1 3.229 0.006 . 2 . . . . . 75 GLY HA2 . 17610 1 926 . 1 1 81 81 GLY HA3 H 1 3.531 0.009 . 2 . . . . . 75 GLY HA3 . 17610 1 927 . 1 1 81 81 GLY C C 13 172.419 0.000 . 1 . . . . . 75 GLY C . 17610 1 928 . 1 1 81 81 GLY CA C 13 46.504 0.063 . 1 . . . . . 75 GLY CA . 17610 1 929 . 1 1 81 81 GLY N N 15 109.297 0.064 . 1 . . . . . 75 GLY N . 17610 1 930 . 1 1 82 82 GLU H H 1 8.879 0.005 . 1 . . . . . 76 GLU H . 17610 1 931 . 1 1 82 82 GLU HA H 1 4.523 0.006 . 1 . . . . . 76 GLU HA . 17610 1 932 . 1 1 82 82 GLU HB2 H 1 2.164 0.007 . 2 . . . . . 76 GLU HB2 . 17610 1 933 . 1 1 82 82 GLU HB3 H 1 2.348 0.008 . 2 . . . . . 76 GLU HB3 . 17610 1 934 . 1 1 82 82 GLU HG2 H 1 2.407 0.011 . 2 . . . . . 76 GLU HG2 . 17610 1 935 . 1 1 82 82 GLU HG3 H 1 2.493 0.004 . 2 . . . . . 76 GLU HG3 . 17610 1 936 . 1 1 82 82 GLU C C 13 176.409 0.000 . 1 . . . . . 76 GLU C . 17610 1 937 . 1 1 82 82 GLU CA C 13 56.469 0.191 . 1 . . . . . 76 GLU CA . 17610 1 938 . 1 1 82 82 GLU CB C 13 32.049 0.090 . 1 . . . . . 76 GLU CB . 17610 1 939 . 1 1 82 82 GLU CG C 13 38.055 0.115 . 1 . . . . . 76 GLU CG . 17610 1 940 . 1 1 82 82 GLU N N 15 122.399 0.075 . 1 . . . . . 76 GLU N . 17610 1 941 . 1 1 83 83 GLY H H 1 7.192 0.007 . 1 . . . . . 77 GLY H . 17610 1 942 . 1 1 83 83 GLY HA2 H 1 3.174 0.007 . 2 . . . . . 77 GLY HA2 . 17610 1 943 . 1 1 83 83 GLY HA3 H 1 4.925 0.012 . 2 . . . . . 77 GLY HA3 . 17610 1 944 . 1 1 83 83 GLY C C 13 170.803 0.000 . 1 . . . . . 77 GLY C . 17610 1 945 . 1 1 83 83 GLY CA C 13 45.453 0.189 . 1 . . . . . 77 GLY CA . 17610 1 946 . 1 1 83 83 GLY N N 15 102.282 7.250 . 1 . . . . . 77 GLY N . 17610 1 947 . 1 1 84 84 PHE H H 1 8.224 0.011 . 1 . . . . . 78 PHE H . 17610 1 948 . 1 1 84 84 PHE HA H 1 5.448 0.005 . 1 . . . . . 78 PHE HA . 17610 1 949 . 1 1 84 84 PHE HB2 H 1 2.764 0.007 . 2 . . . . . 78 PHE HB . 17610 1 950 . 1 1 84 84 PHE HB3 H 1 2.764 0.007 . 2 . . . . . 78 PHE HB . 17610 1 951 . 1 1 84 84 PHE HD1 H 1 7.085 0.006 . 3 . . . . . 78 PHE HD . 17610 1 952 . 1 1 84 84 PHE HD2 H 1 7.085 0.006 . 3 . . . . . 78 PHE HD . 17610 1 953 . 1 1 84 84 PHE HE1 H 1 7.096 0.013 . 3 . . . . . 78 PHE HE . 17610 1 954 . 1 1 84 84 PHE HE2 H 1 7.096 0.013 . 3 . . . . . 78 PHE HE . 17610 1 955 . 1 1 84 84 PHE HZ H 1 7.726 0.011 . 1 . . . . . 78 PHE HZ . 17610 1 956 . 1 1 84 84 PHE C C 13 173.734 0.000 . 1 . . . . . 78 PHE C . 17610 1 957 . 1 1 84 84 PHE CA C 13 57.065 0.149 . 1 . . . . . 78 PHE CA . 17610 1 958 . 1 1 84 84 PHE CB C 13 42.997 0.034 . 1 . . . . . 78 PHE CB . 17610 1 959 . 1 1 84 84 PHE CD1 C 13 132.747 0.000 . 3 . . . . . 78 PHE CD . 17610 1 960 . 1 1 84 84 PHE CD2 C 13 132.747 0.000 . 3 . . . . . 78 PHE CD . 17610 1 961 . 1 1 84 84 PHE CE1 C 13 129.889 0.093 . 3 . . . . . 78 PHE CE . 17610 1 962 . 1 1 84 84 PHE CE2 C 13 129.889 0.093 . 3 . . . . . 78 PHE CE . 17610 1 963 . 1 1 84 84 PHE N N 15 122.648 0.147 . 1 . . . . . 78 PHE N . 17610 1 964 . 1 1 85 85 LEU H H 1 9.189 0.004 . 1 . . . . . 79 LEU H . 17610 1 965 . 1 1 85 85 LEU HA H 1 4.690 0.007 . 1 . . . . . 79 LEU HA . 17610 1 966 . 1 1 85 85 LEU HB2 H 1 1.246 0.002 . 2 . . . . . 79 LEU HB2 . 17610 1 967 . 1 1 85 85 LEU HB3 H 1 1.537 0.005 . 2 . . . . . 79 LEU HB3 . 17610 1 968 . 1 1 85 85 LEU HG H 1 1.102 0.003 . 1 . . . . . 79 LEU HG . 17610 1 969 . 1 1 85 85 LEU HD11 H 1 0.098 0.005 . 2 . . . . . 79 LEU HD1 . 17610 1 970 . 1 1 85 85 LEU HD12 H 1 0.098 0.005 . 2 . . . . . 79 LEU HD1 . 17610 1 971 . 1 1 85 85 LEU HD13 H 1 0.098 0.005 . 2 . . . . . 79 LEU HD1 . 17610 1 972 . 1 1 85 85 LEU HD21 H 1 0.154 0.001 . 2 . . . . . 79 LEU HD2 . 17610 1 973 . 1 1 85 85 LEU HD22 H 1 0.154 0.001 . 2 . . . . . 79 LEU HD2 . 17610 1 974 . 1 1 85 85 LEU HD23 H 1 0.154 0.001 . 2 . . . . . 79 LEU HD2 . 17610 1 975 . 1 1 85 85 LEU C C 13 174.690 0.000 . 1 . . . . . 79 LEU C . 17610 1 976 . 1 1 85 85 LEU CA C 13 53.981 0.247 . 1 . . . . . 79 LEU CA . 17610 1 977 . 1 1 85 85 LEU CB C 13 43.058 0.065 . 1 . . . . . 79 LEU CB . 17610 1 978 . 1 1 85 85 LEU CG C 13 26.683 0.072 . 1 . . . . . 79 LEU CG . 17610 1 979 . 1 1 85 85 LEU CD1 C 13 25.015 0.043 . 2 . . . . . 79 LEU CD1 . 17610 1 980 . 1 1 85 85 LEU CD2 C 13 25.672 0.041 . 2 . . . . . 79 LEU CD2 . 17610 1 981 . 1 1 85 85 LEU N N 15 127.298 0.078 . 1 . . . . . 79 LEU N . 17610 1 982 . 1 1 86 86 CYS H H 1 8.720 0.004 . 1 . . . . . 80 CYS H . 17610 1 983 . 1 1 86 86 CYS HA H 1 4.689 0.008 . 1 . . . . . 80 CYS HA . 17610 1 984 . 1 1 86 86 CYS HB2 H 1 2.667 0.005 . 2 . . . . . 80 CYS HB2 . 17610 1 985 . 1 1 86 86 CYS HB3 H 1 2.986 0.011 . 2 . . . . . 80 CYS HB3 . 17610 1 986 . 1 1 86 86 CYS C C 13 172.664 0.000 . 1 . . . . . 80 CYS C . 17610 1 987 . 1 1 86 86 CYS CA C 13 57.767 0.051 . 1 . . . . . 80 CYS CA . 17610 1 988 . 1 1 86 86 CYS CB C 13 27.397 0.052 . 1 . . . . . 80 CYS CB . 17610 1 989 . 1 1 86 86 CYS N N 15 125.581 0.102 . 1 . . . . . 80 CYS N . 17610 1 990 . 1 1 87 87 VAL H H 1 9.028 0.006 . 1 . . . . . 81 VAL H . 17610 1 991 . 1 1 87 87 VAL HA H 1 4.983 0.007 . 1 . . . . . 81 VAL HA . 17610 1 992 . 1 1 87 87 VAL HB H 1 1.774 0.007 . 1 . . . . . 81 VAL HB . 17610 1 993 . 1 1 87 87 VAL HG11 H 1 0.554 0.007 . 2 . . . . . 81 VAL HG1 . 17610 1 994 . 1 1 87 87 VAL HG12 H 1 0.554 0.007 . 2 . . . . . 81 VAL HG1 . 17610 1 995 . 1 1 87 87 VAL HG13 H 1 0.554 0.007 . 2 . . . . . 81 VAL HG1 . 17610 1 996 . 1 1 87 87 VAL HG21 H 1 0.662 0.007 . 2 . . . . . 81 VAL HG2 . 17610 1 997 . 1 1 87 87 VAL HG22 H 1 0.662 0.007 . 2 . . . . . 81 VAL HG2 . 17610 1 998 . 1 1 87 87 VAL HG23 H 1 0.662 0.007 . 2 . . . . . 81 VAL HG2 . 17610 1 999 . 1 1 87 87 VAL C C 13 175.119 0.000 . 1 . . . . . 81 VAL C . 17610 1 1000 . 1 1 87 87 VAL CA C 13 61.275 0.044 . 1 . . . . . 81 VAL CA . 17610 1 1001 . 1 1 87 87 VAL CB C 13 33.407 0.153 . 1 . . . . . 81 VAL CB . 17610 1 1002 . 1 1 87 87 VAL CG1 C 13 22.663 0.044 . 2 . . . . . 81 VAL CG1 . 17610 1 1003 . 1 1 87 87 VAL CG2 C 13 22.092 0.186 . 2 . . . . . 81 VAL CG2 . 17610 1 1004 . 1 1 87 87 VAL N N 15 127.252 0.039 . 1 . . . . . 81 VAL N . 17610 1 1005 . 1 1 88 88 PHE H H 1 9.306 0.005 . 1 . . . . . 82 PHE H . 17610 1 1006 . 1 1 88 88 PHE HA H 1 4.992 0.005 . 1 . . . . . 82 PHE HA . 17610 1 1007 . 1 1 88 88 PHE HB2 H 1 2.916 0.007 . 2 . . . . . 82 PHE HB2 . 17610 1 1008 . 1 1 88 88 PHE HB3 H 1 3.705 0.011 . 2 . . . . . 82 PHE HB3 . 17610 1 1009 . 1 1 88 88 PHE HD1 H 1 7.383 0.008 . 3 . . . . . 82 PHE HD . 17610 1 1010 . 1 1 88 88 PHE HD2 H 1 7.383 0.008 . 3 . . . . . 82 PHE HD . 17610 1 1011 . 1 1 88 88 PHE C C 13 171.162 0.000 . 1 . . . . . 82 PHE C . 17610 1 1012 . 1 1 88 88 PHE CA C 13 55.349 0.223 . 1 . . . . . 82 PHE CA . 17610 1 1013 . 1 1 88 88 PHE CB C 13 40.430 0.125 . 1 . . . . . 82 PHE CB . 17610 1 1014 . 1 1 88 88 PHE N N 15 125.157 0.055 . 1 . . . . . 82 PHE N . 17610 1 1015 . 1 1 89 89 ALA H H 1 8.692 0.005 . 1 . . . . . 83 ALA H . 17610 1 1016 . 1 1 89 89 ALA HA H 1 5.082 0.006 . 1 . . . . . 83 ALA HA . 17610 1 1017 . 1 1 89 89 ALA HB1 H 1 1.484 0.006 . 1 . . . . . 83 ALA HB . 17610 1 1018 . 1 1 89 89 ALA HB2 H 1 1.484 0.006 . 1 . . . . . 83 ALA HB . 17610 1 1019 . 1 1 89 89 ALA HB3 H 1 1.484 0.006 . 1 . . . . . 83 ALA HB . 17610 1 1020 . 1 1 89 89 ALA C C 13 179.267 0.000 . 1 . . . . . 83 ALA C . 17610 1 1021 . 1 1 89 89 ALA CA C 13 49.635 0.081 . 1 . . . . . 83 ALA CA . 17610 1 1022 . 1 1 89 89 ALA CB C 13 21.739 0.071 . 1 . . . . . 83 ALA CB . 17610 1 1023 . 1 1 89 89 ALA N N 15 122.321 0.051 . 1 . . . . . 83 ALA N . 17610 1 1024 . 1 1 90 90 ILE H H 1 8.461 0.007 . 1 . . . . . 84 ILE H . 17610 1 1025 . 1 1 90 90 ILE HA H 1 4.054 0.007 . 1 . . . . . 84 ILE HA . 17610 1 1026 . 1 1 90 90 ILE HB H 1 2.364 0.005 . 1 . . . . . 84 ILE HB . 17610 1 1027 . 1 1 90 90 ILE HG12 H 1 1.067 0.007 . 2 . . . . . 84 ILE HG12 . 17610 1 1028 . 1 1 90 90 ILE HG13 H 1 1.270 0.009 . 2 . . . . . 84 ILE HG13 . 17610 1 1029 . 1 1 90 90 ILE HG21 H 1 0.810 0.004 . 1 . . . . . 84 ILE HG2 . 17610 1 1030 . 1 1 90 90 ILE HG22 H 1 0.810 0.004 . 1 . . . . . 84 ILE HG2 . 17610 1 1031 . 1 1 90 90 ILE HG23 H 1 0.810 0.004 . 1 . . . . . 84 ILE HG2 . 17610 1 1032 . 1 1 90 90 ILE HD11 H 1 0.783 0.003 . 1 . . . . . 84 ILE HD1 . 17610 1 1033 . 1 1 90 90 ILE HD12 H 1 0.783 0.003 . 1 . . . . . 84 ILE HD1 . 17610 1 1034 . 1 1 90 90 ILE HD13 H 1 0.783 0.003 . 1 . . . . . 84 ILE HD1 . 17610 1 1035 . 1 1 90 90 ILE C C 13 174.164 0.000 . 1 . . . . . 84 ILE C . 17610 1 1036 . 1 1 90 90 ILE CA C 13 63.169 0.122 . 1 . . . . . 84 ILE CA . 17610 1 1037 . 1 1 90 90 ILE CB C 13 38.174 0.037 . 1 . . . . . 84 ILE CB . 17610 1 1038 . 1 1 90 90 ILE CG1 C 13 27.031 0.154 . 1 . . . . . 84 ILE CG1 . 17610 1 1039 . 1 1 90 90 ILE CG2 C 13 20.117 0.061 . 1 . . . . . 84 ILE CG2 . 17610 1 1040 . 1 1 90 90 ILE CD1 C 13 15.249 0.046 . 1 . . . . . 84 ILE CD1 . 17610 1 1041 . 1 1 90 90 ILE N N 15 114.459 0.041 . 1 . . . . . 84 ILE N . 17610 1 1042 . 1 1 91 91 ASN H H 1 7.906 0.008 . 1 . . . . . 85 ASN H . 17610 1 1043 . 1 1 91 91 ASN HA H 1 5.049 0.008 . 1 . . . . . 85 ASN HA . 17610 1 1044 . 1 1 91 91 ASN HB2 H 1 2.370 0.009 . 2 . . . . . 85 ASN HB2 . 17610 1 1045 . 1 1 91 91 ASN HB3 H 1 3.350 0.006 . 2 . . . . . 85 ASN HB3 . 17610 1 1046 . 1 1 91 91 ASN HD21 H 1 6.905 0.003 . 2 . . . . . 85 ASN HD21 . 17610 1 1047 . 1 1 91 91 ASN HD22 H 1 7.853 0.012 . 2 . . . . . 85 ASN HD22 . 17610 1 1048 . 1 1 91 91 ASN C C 13 174.583 0.000 . 1 . . . . . 85 ASN C . 17610 1 1049 . 1 1 91 91 ASN CA C 13 52.161 0.057 . 1 . . . . . 85 ASN CA . 17610 1 1050 . 1 1 91 91 ASN CB C 13 38.132 0.074 . 1 . . . . . 85 ASN CB . 17610 1 1051 . 1 1 91 91 ASN N N 15 118.240 0.056 . 1 . . . . . 85 ASN N . 17610 1 1052 . 1 1 91 91 ASN ND2 N 15 114.490 0.104 . 1 . . . . . 85 ASN ND2 . 17610 1 1053 . 1 1 92 92 ASN H H 1 7.931 0.006 . 1 . . . . . 86 ASN H . 17610 1 1054 . 1 1 92 92 ASN HA H 1 5.080 0.008 . 1 . . . . . 86 ASN HA . 17610 1 1055 . 1 1 92 92 ASN HB2 H 1 2.496 0.009 . 2 . . . . . 86 ASN HB2 . 17610 1 1056 . 1 1 92 92 ASN HB3 H 1 3.229 0.006 . 2 . . . . . 86 ASN HB3 . 17610 1 1057 . 1 1 92 92 ASN HD21 H 1 7.194 0.007 . 2 . . . . . 86 ASN HD21 . 17610 1 1058 . 1 1 92 92 ASN HD22 H 1 8.076 0.003 . 2 . . . . . 86 ASN HD22 . 17610 1 1059 . 1 1 92 92 ASN C C 13 175.090 0.000 . 1 . . . . . 86 ASN C . 17610 1 1060 . 1 1 92 92 ASN CA C 13 52.041 0.167 . 1 . . . . . 86 ASN CA . 17610 1 1061 . 1 1 92 92 ASN CB C 13 39.203 0.096 . 1 . . . . . 86 ASN CB . 17610 1 1062 . 1 1 92 92 ASN N N 15 120.345 0.187 . 1 . . . . . 86 ASN N . 17610 1 1063 . 1 1 92 92 ASN ND2 N 15 113.807 0.081 . 1 . . . . . 86 ASN ND2 . 17610 1 1064 . 1 1 93 93 THR H H 1 9.272 0.005 . 1 . . . . . 87 THR H . 17610 1 1065 . 1 1 93 93 THR HA H 1 3.772 0.007 . 1 . . . . . 87 THR HA . 17610 1 1066 . 1 1 93 93 THR HB H 1 4.171 0.004 . 1 . . . . . 87 THR HB . 17610 1 1067 . 1 1 93 93 THR HG21 H 1 1.325 0.004 . 2 . . . . . 87 THR HG2 . 17610 1 1068 . 1 1 93 93 THR HG22 H 1 1.325 0.004 . 2 . . . . . 87 THR HG2 . 17610 1 1069 . 1 1 93 93 THR HG23 H 1 1.325 0.004 . 2 . . . . . 87 THR HG2 . 17610 1 1070 . 1 1 93 93 THR C C 13 176.012 0.000 . 1 . . . . . 87 THR C . 17610 1 1071 . 1 1 93 93 THR CA C 13 66.753 0.062 . 1 . . . . . 87 THR CA . 17610 1 1072 . 1 1 93 93 THR CB C 13 68.400 0.079 . 1 . . . . . 87 THR CB . 17610 1 1073 . 1 1 93 93 THR CG2 C 13 22.650 0.054 . 1 . . . . . 87 THR CG2 . 17610 1 1074 . 1 1 93 93 THR N N 15 125.665 0.000 . 1 . . . . . 87 THR N . 17610 1 1075 . 1 1 94 94 LYS H H 1 8.456 0.003 . 1 . . . . . 88 LYS H . 17610 1 1076 . 1 1 94 94 LYS HA H 1 4.186 0.008 . 1 . . . . . 88 LYS HA . 17610 1 1077 . 1 1 94 94 LYS HB2 H 1 1.947 0.005 . 2 . . . . . 88 LYS HB2 . 17610 1 1078 . 1 1 94 94 LYS HB3 H 1 2.061 0.002 . 2 . . . . . 88 LYS HB3 . 17610 1 1079 . 1 1 94 94 LYS HG2 H 1 1.550 0.003 . 2 . . . . . 88 LYS HG . 17610 1 1080 . 1 1 94 94 LYS HG3 H 1 1.550 0.003 . 2 . . . . . 88 LYS HG . 17610 1 1081 . 1 1 94 94 LYS HD2 H 1 1.691 0.003 . 2 . . . . . 88 LYS HD2 . 17610 1 1082 . 1 1 94 94 LYS HD3 H 1 1.843 0.002 . 2 . . . . . 88 LYS HD3 . 17610 1 1083 . 1 1 94 94 LYS HE2 H 1 3.088 0.003 . 2 . . . . . 88 LYS HE . 17610 1 1084 . 1 1 94 94 LYS HE3 H 1 3.088 0.003 . 2 . . . . . 88 LYS HE . 17610 1 1085 . 1 1 94 94 LYS C C 13 178.027 0.000 . 1 . . . . . 88 LYS C . 17610 1 1086 . 1 1 94 94 LYS CA C 13 59.359 0.104 . 1 . . . . . 88 LYS CA . 17610 1 1087 . 1 1 94 94 LYS CB C 13 31.292 0.123 . 1 . . . . . 88 LYS CB . 17610 1 1088 . 1 1 94 94 LYS CG C 13 24.836 0.053 . 1 . . . . . 88 LYS CG . 17610 1 1089 . 1 1 94 94 LYS CD C 13 28.488 0.007 . 1 . . . . . 88 LYS CD . 17610 1 1090 . 1 1 94 94 LYS CE C 13 42.395 0.025 . 1 . . . . . 88 LYS CE . 17610 1 1091 . 1 1 94 94 LYS N N 15 125.404 0.099 . 1 . . . . . 88 LYS N . 17610 1 1092 . 1 1 95 95 SER H H 1 7.970 0.007 . 1 . . . . . 89 SER H . 17610 1 1093 . 1 1 95 95 SER HA H 1 4.188 0.007 . 1 . . . . . 89 SER HA . 17610 1 1094 . 1 1 95 95 SER HB2 H 1 4.049 0.008 . 2 . . . . . 89 SER HB2 . 17610 1 1095 . 1 1 95 95 SER HB3 H 1 4.486 0.008 . 2 . . . . . 89 SER HB3 . 17610 1 1096 . 1 1 95 95 SER C C 13 175.751 0.000 . 1 . . . . . 89 SER C . 17610 1 1097 . 1 1 95 95 SER CA C 13 61.751 0.101 . 1 . . . . . 89 SER CA . 17610 1 1098 . 1 1 95 95 SER CB C 13 63.530 0.215 . 1 . . . . . 89 SER CB . 17610 1 1099 . 1 1 95 95 SER N N 15 115.491 0.081 . 1 . . . . . 89 SER N . 17610 1 1100 . 1 1 96 96 PHE H H 1 7.419 0.004 . 1 . . . . . 90 PHE H . 17610 1 1101 . 1 1 96 96 PHE HA H 1 4.037 0.008 . 1 . . . . . 90 PHE HA . 17610 1 1102 . 1 1 96 96 PHE HB2 H 1 2.746 0.006 . 2 . . . . . 90 PHE HB2 . 17610 1 1103 . 1 1 96 96 PHE HB3 H 1 3.274 0.007 . 2 . . . . . 90 PHE HB3 . 17610 1 1104 . 1 1 96 96 PHE HD1 H 1 6.003 0.005 . 3 . . . . . 90 PHE HD . 17610 1 1105 . 1 1 96 96 PHE HD2 H 1 6.003 0.005 . 3 . . . . . 90 PHE HD . 17610 1 1106 . 1 1 96 96 PHE HE1 H 1 6.785 0.007 . 3 . . . . . 90 PHE HE . 17610 1 1107 . 1 1 96 96 PHE HE2 H 1 6.785 0.007 . 3 . . . . . 90 PHE HE . 17610 1 1108 . 1 1 96 96 PHE HZ H 1 6.757 0.001 . 1 . . . . . 90 PHE HZ . 17610 1 1109 . 1 1 96 96 PHE C C 13 177.267 0.000 . 1 . . . . . 90 PHE C . 17610 1 1110 . 1 1 96 96 PHE CA C 13 59.688 0.074 . 1 . . . . . 90 PHE CA . 17610 1 1111 . 1 1 96 96 PHE CB C 13 40.175 0.131 . 1 . . . . . 90 PHE CB . 17610 1 1112 . 1 1 96 96 PHE CD1 C 13 131.466 0.067 . 3 . . . . . 90 PHE CD . 17610 1 1113 . 1 1 96 96 PHE CD2 C 13 131.466 0.067 . 3 . . . . . 90 PHE CD . 17610 1 1114 . 1 1 96 96 PHE N N 15 125.899 0.073 . 1 . . . . . 90 PHE N . 17610 1 1115 . 1 1 97 97 GLU H H 1 8.449 0.010 . 1 . . . . . 91 GLU H . 17610 1 1116 . 1 1 97 97 GLU HA H 1 3.787 0.004 . 1 . . . . . 91 GLU HA . 17610 1 1117 . 1 1 97 97 GLU HB2 H 1 2.100 0.006 . 2 . . . . . 91 GLU HB2 . 17610 1 1118 . 1 1 97 97 GLU HB3 H 1 2.277 0.004 . 2 . . . . . 91 GLU HB3 . 17610 1 1119 . 1 1 97 97 GLU HG2 H 1 2.288 0.009 . 2 . . . . . 91 GLU HG2 . 17610 1 1120 . 1 1 97 97 GLU HG3 H 1 2.561 0.004 . 2 . . . . . 91 GLU HG3 . 17610 1 1121 . 1 1 97 97 GLU C C 13 179.628 0.000 . 1 . . . . . 91 GLU C . 17610 1 1122 . 1 1 97 97 GLU CA C 13 59.004 0.047 . 1 . . . . . 91 GLU CA . 17610 1 1123 . 1 1 97 97 GLU CB C 13 29.261 0.075 . 1 . . . . . 91 GLU CB . 17610 1 1124 . 1 1 97 97 GLU CG C 13 36.612 0.069 . 1 . . . . . 91 GLU CG . 17610 1 1125 . 1 1 97 97 GLU N N 15 122.834 0.056 . 1 . . . . . 91 GLU N . 17610 1 1126 . 1 1 98 98 ASP H H 1 8.492 0.002 . 1 . . . . . 92 ASP H . 17610 1 1127 . 1 1 98 98 ASP HA H 1 4.553 0.006 . 1 . . . . . 92 ASP HA . 17610 1 1128 . 1 1 98 98 ASP HB2 H 1 2.875 0.005 . 2 . . . . . 92 ASP HB . 17610 1 1129 . 1 1 98 98 ASP HB3 H 1 2.875 0.005 . 2 . . . . . 92 ASP HB . 17610 1 1130 . 1 1 98 98 ASP C C 13 177.582 0.000 . 1 . . . . . 92 ASP C . 17610 1 1131 . 1 1 98 98 ASP CA C 13 56.171 0.059 . 1 . . . . . 92 ASP CA . 17610 1 1132 . 1 1 98 98 ASP CB C 13 41.184 0.241 . 1 . . . . . 92 ASP CB . 17610 1 1133 . 1 1 98 98 ASP N N 15 118.617 0.057 . 1 . . . . . 92 ASP N . 17610 1 1134 . 1 1 99 99 ILE H H 1 7.583 0.007 . 1 . . . . . 93 ILE H . 17610 1 1135 . 1 1 99 99 ILE HA H 1 3.954 0.004 . 1 . . . . . 93 ILE HA . 17610 1 1136 . 1 1 99 99 ILE HB H 1 2.238 0.003 . 1 . . . . . 93 ILE HB . 17610 1 1137 . 1 1 99 99 ILE HG12 H 1 1.387 0.007 . 2 . . . . . 93 ILE HG12 . 17610 1 1138 . 1 1 99 99 ILE HG13 H 1 2.246 0.003 . 2 . . . . . 93 ILE HG13 . 17610 1 1139 . 1 1 99 99 ILE HG21 H 1 0.945 0.006 . 1 . . . . . 93 ILE HG2 . 17610 1 1140 . 1 1 99 99 ILE HG22 H 1 0.945 0.006 . 1 . . . . . 93 ILE HG2 . 17610 1 1141 . 1 1 99 99 ILE HG23 H 1 0.945 0.006 . 1 . . . . . 93 ILE HG2 . 17610 1 1142 . 1 1 99 99 ILE HD11 H 1 0.822 0.007 . 1 . . . . . 93 ILE HD1 . 17610 1 1143 . 1 1 99 99 ILE HD12 H 1 0.822 0.007 . 1 . . . . . 93 ILE HD1 . 17610 1 1144 . 1 1 99 99 ILE HD13 H 1 0.822 0.007 . 1 . . . . . 93 ILE HD1 . 17610 1 1145 . 1 1 99 99 ILE C C 13 177.442 0.000 . 1 . . . . . 93 ILE C . 17610 1 1146 . 1 1 99 99 ILE CA C 13 62.370 0.078 . 1 . . . . . 93 ILE CA . 17610 1 1147 . 1 1 99 99 ILE CB C 13 34.570 0.057 . 1 . . . . . 93 ILE CB . 17610 1 1148 . 1 1 99 99 ILE CG1 C 13 26.665 0.137 . 1 . . . . . 93 ILE CG1 . 17610 1 1149 . 1 1 99 99 ILE CG2 C 13 17.307 0.064 . 1 . . . . . 93 ILE CG2 . 17610 1 1150 . 1 1 99 99 ILE CD1 C 13 9.223 0.117 . 1 . . . . . 93 ILE CD1 . 17610 1 1151 . 1 1 99 99 ILE N N 15 121.939 0.055 . 1 . . . . . 93 ILE N . 17610 1 1152 . 1 1 100 100 HIS H H 1 7.799 0.006 . 1 . . . . . 94 HIS H . 17610 1 1153 . 1 1 100 100 HIS HA H 1 4.273 0.006 . 1 . . . . . 94 HIS HA . 17610 1 1154 . 1 1 100 100 HIS HB2 H 1 3.106 0.007 . 2 . . . . . 94 HIS HB2 . 17610 1 1155 . 1 1 100 100 HIS HB3 H 1 3.223 0.006 . 2 . . . . . 94 HIS HB3 . 17610 1 1156 . 1 1 100 100 HIS HD2 H 1 7.100 0.006 . 1 . . . . . 94 HIS HD2 . 17610 1 1157 . 1 1 100 100 HIS HE1 H 1 7.903 0.008 . 1 . . . . . 94 HIS HE1 . 17610 1 1158 . 1 1 100 100 HIS C C 13 177.345 0.000 . 1 . . . . . 94 HIS C . 17610 1 1159 . 1 1 100 100 HIS CA C 13 60.090 0.155 . 1 . . . . . 94 HIS CA . 17610 1 1160 . 1 1 100 100 HIS CB C 13 30.512 0.035 . 1 . . . . . 94 HIS CB . 17610 1 1161 . 1 1 100 100 HIS CD2 C 13 119.360 0.000 . 1 . . . . . 94 HIS CD2 . 17610 1 1162 . 1 1 100 100 HIS CE1 C 13 138.470 0.000 . 1 . . . . . 94 HIS CE1 . 17610 1 1163 . 1 1 100 100 HIS N N 15 118.387 0.183 . 1 . . . . . 94 HIS N . 17610 1 1164 . 1 1 101 101 GLN H H 1 7.468 0.004 . 1 . . . . . 95 GLN H . 17610 1 1165 . 1 1 101 101 GLN HA H 1 3.941 0.005 . 1 . . . . . 95 GLN HA . 17610 1 1166 . 1 1 101 101 GLN HB2 H 1 1.904 0.001 . 2 . . . . . 95 GLN HB2 . 17610 1 1167 . 1 1 101 101 GLN HB3 H 1 1.984 0.009 . 2 . . . . . 95 GLN HB3 . 17610 1 1168 . 1 1 101 101 GLN HG2 H 1 2.194 0.003 . 2 . . . . . 95 GLN HG2 . 17610 1 1169 . 1 1 101 101 GLN HG3 H 1 2.247 0.002 . 2 . . . . . 95 GLN HG3 . 17610 1 1170 . 1 1 101 101 GLN HE21 H 1 6.708 0.004 . 2 . . . . . 95 GLN HE21 . 17610 1 1171 . 1 1 101 101 GLN HE22 H 1 7.263 0.003 . 2 . . . . . 95 GLN HE22 . 17610 1 1172 . 1 1 101 101 GLN C C 13 179.155 0.000 . 1 . . . . . 95 GLN C . 17610 1 1173 . 1 1 101 101 GLN CA C 13 58.371 0.073 . 1 . . . . . 95 GLN CA . 17610 1 1174 . 1 1 101 101 GLN CB C 13 27.807 0.067 . 1 . . . . . 95 GLN CB . 17610 1 1175 . 1 1 101 101 GLN CG C 13 33.671 0.093 . 1 . . . . . 95 GLN CG . 17610 1 1176 . 1 1 101 101 GLN N N 15 117.673 0.062 . 1 . . . . . 95 GLN N . 17610 1 1177 . 1 1 101 101 GLN NE2 N 15 112.519 0.094 . 1 . . . . . 95 GLN NE2 . 17610 1 1178 . 1 1 102 102 TYR H H 1 7.600 0.003 . 1 . . . . . 96 TYR H . 17610 1 1179 . 1 1 102 102 TYR HA H 1 4.064 0.003 . 1 . . . . . 96 TYR HA . 17610 1 1180 . 1 1 102 102 TYR HB2 H 1 2.868 0.007 . 2 . . . . . 96 TYR HB2 . 17610 1 1181 . 1 1 102 102 TYR HB3 H 1 2.951 0.005 . 2 . . . . . 96 TYR HB3 . 17610 1 1182 . 1 1 102 102 TYR HD1 H 1 7.097 0.011 . 3 . . . . . 96 TYR HD . 17610 1 1183 . 1 1 102 102 TYR HD2 H 1 7.097 0.011 . 3 . . . . . 96 TYR HD . 17610 1 1184 . 1 1 102 102 TYR HE1 H 1 6.830 0.006 . 3 . . . . . 96 TYR HE . 17610 1 1185 . 1 1 102 102 TYR HE2 H 1 6.830 0.006 . 3 . . . . . 96 TYR HE . 17610 1 1186 . 1 1 102 102 TYR C C 13 177.660 0.000 . 1 . . . . . 96 TYR C . 17610 1 1187 . 1 1 102 102 TYR CA C 13 62.847 0.032 . 1 . . . . . 96 TYR CA . 17610 1 1188 . 1 1 102 102 TYR CB C 13 37.795 0.086 . 1 . . . . . 96 TYR CB . 17610 1 1189 . 1 1 102 102 TYR CD1 C 13 132.407 0.054 . 3 . . . . . 96 TYR CD . 17610 1 1190 . 1 1 102 102 TYR CD2 C 13 132.407 0.054 . 3 . . . . . 96 TYR CD . 17610 1 1191 . 1 1 102 102 TYR CE1 C 13 118.393 0.000 . 3 . . . . . 96 TYR CE . 17610 1 1192 . 1 1 102 102 TYR CE2 C 13 118.393 0.000 . 3 . . . . . 96 TYR CE . 17610 1 1193 . 1 1 102 102 TYR N N 15 120.407 0.149 . 1 . . . . . 96 TYR N . 17610 1 1194 . 1 1 103 103 ARG H H 1 8.395 0.008 . 1 . . . . . 97 ARG H . 17610 1 1195 . 1 1 103 103 ARG HA H 1 3.616 0.006 . 1 . . . . . 97 ARG HA . 17610 1 1196 . 1 1 103 103 ARG HB2 H 1 1.341 0.005 . 2 . . . . . 97 ARG HB2 . 17610 1 1197 . 1 1 103 103 ARG HB3 H 1 1.763 0.004 . 2 . . . . . 97 ARG HB3 . 17610 1 1198 . 1 1 103 103 ARG HG2 H 1 1.075 0.006 . 2 . . . . . 97 ARG HG2 . 17610 1 1199 . 1 1 103 103 ARG HG3 H 1 1.111 0.004 . 2 . . . . . 97 ARG HG3 . 17610 1 1200 . 1 1 103 103 ARG HD2 H 1 1.959 0.002 . 2 . . . . . 97 ARG HD2 . 17610 1 1201 . 1 1 103 103 ARG HD3 H 1 2.178 0.007 . 2 . . . . . 97 ARG HD3 . 17610 1 1202 . 1 1 103 103 ARG C C 13 177.618 0.000 . 1 . . . . . 97 ARG C . 17610 1 1203 . 1 1 103 103 ARG CA C 13 59.938 0.046 . 1 . . . . . 97 ARG CA . 17610 1 1204 . 1 1 103 103 ARG CB C 13 28.599 0.083 . 1 . . . . . 97 ARG CB . 17610 1 1205 . 1 1 103 103 ARG CG C 13 27.874 0.045 . 1 . . . . . 97 ARG CG . 17610 1 1206 . 1 1 103 103 ARG CD C 13 42.768 0.113 . 1 . . . . . 97 ARG CD . 17610 1 1207 . 1 1 103 103 ARG N N 15 119.974 0.056 . 1 . . . . . 97 ARG N . 17610 1 1208 . 1 1 104 104 GLU H H 1 7.970 0.009 . 1 . . . . . 98 GLU H . 17610 1 1209 . 1 1 104 104 GLU HA H 1 3.781 0.004 . 1 . . . . . 98 GLU HA . 17610 1 1210 . 1 1 104 104 GLU HB2 H 1 1.956 0.007 . 2 . . . . . 98 GLU HB . 17610 1 1211 . 1 1 104 104 GLU HB3 H 1 1.956 0.007 . 2 . . . . . 98 GLU HB . 17610 1 1212 . 1 1 104 104 GLU HG2 H 1 2.042 0.002 . 2 . . . . . 98 GLU HG2 . 17610 1 1213 . 1 1 104 104 GLU HG3 H 1 2.109 0.002 . 2 . . . . . 98 GLU HG3 . 17610 1 1214 . 1 1 104 104 GLU C C 13 178.982 0.000 . 1 . . . . . 98 GLU C . 17610 1 1215 . 1 1 104 104 GLU CA C 13 58.900 0.021 . 1 . . . . . 98 GLU CA . 17610 1 1216 . 1 1 104 104 GLU CB C 13 29.435 0.000 . 1 . . . . . 98 GLU CB . 17610 1 1217 . 1 1 104 104 GLU CG C 13 36.079 0.053 . 1 . . . . . 98 GLU CG . 17610 1 1218 . 1 1 104 104 GLU N N 15 118.351 0.095 . 1 . . . . . 98 GLU N . 17610 1 1219 . 1 1 105 105 GLN H H 1 7.907 0.002 . 1 . . . . . 99 GLN H . 17610 1 1220 . 1 1 105 105 GLN HA H 1 3.946 0.005 . 1 . . . . . 99 GLN HA . 17610 1 1221 . 1 1 105 105 GLN HB2 H 1 2.063 0.004 . 2 . . . . . 99 GLN HB2 . 17610 1 1222 . 1 1 105 105 GLN HB3 H 1 2.125 0.000 . 2 . . . . . 99 GLN HB3 . 17610 1 1223 . 1 1 105 105 GLN HG2 H 1 2.313 0.006 . 2 . . . . . 99 GLN HG2 . 17610 1 1224 . 1 1 105 105 GLN HG3 H 1 2.412 0.007 . 2 . . . . . 99 GLN HG3 . 17610 1 1225 . 1 1 105 105 GLN HE21 H 1 6.599 0.004 . 2 . . . . . 99 GLN HE21 . 17610 1 1226 . 1 1 105 105 GLN HE22 H 1 7.308 0.002 . 2 . . . . . 99 GLN HE22 . 17610 1 1227 . 1 1 105 105 GLN C C 13 177.701 0.000 . 1 . . . . . 99 GLN C . 17610 1 1228 . 1 1 105 105 GLN CA C 13 59.037 0.143 . 1 . . . . . 99 GLN CA . 17610 1 1229 . 1 1 105 105 GLN CB C 13 27.938 0.066 . 1 . . . . . 99 GLN CB . 17610 1 1230 . 1 1 105 105 GLN CG C 13 33.420 0.044 . 1 . . . . . 99 GLN CG . 17610 1 1231 . 1 1 105 105 GLN N N 15 121.350 0.055 . 1 . . . . . 99 GLN N . 17610 1 1232 . 1 1 105 105 GLN NE2 N 15 111.545 0.062 . 1 . . . . . 99 GLN NE2 . 17610 1 1233 . 1 1 106 106 ILE H H 1 7.920 0.006 . 1 . . . . . 100 ILE H . 17610 1 1234 . 1 1 106 106 ILE HA H 1 3.177 0.005 . 1 . . . . . 100 ILE HA . 17610 1 1235 . 1 1 106 106 ILE HB H 1 1.417 0.004 . 1 . . . . . 100 ILE HB . 17610 1 1236 . 1 1 106 106 ILE HG12 H 1 -0.069 0.007 . 2 . . . . . 100 ILE HG12 . 17610 1 1237 . 1 1 106 106 ILE HG13 H 1 1.620 0.005 . 2 . . . . . 100 ILE HG13 . 17610 1 1238 . 1 1 106 106 ILE HG21 H 1 -0.049 0.006 . 1 . . . . . 100 ILE HG2 . 17610 1 1239 . 1 1 106 106 ILE HG22 H 1 -0.049 0.006 . 1 . . . . . 100 ILE HG2 . 17610 1 1240 . 1 1 106 106 ILE HG23 H 1 -0.049 0.006 . 1 . . . . . 100 ILE HG2 . 17610 1 1241 . 1 1 106 106 ILE HD11 H 1 0.378 0.003 . 1 . . . . . 100 ILE HD1 . 17610 1 1242 . 1 1 106 106 ILE HD12 H 1 0.378 0.003 . 1 . . . . . 100 ILE HD1 . 17610 1 1243 . 1 1 106 106 ILE HD13 H 1 0.378 0.003 . 1 . . . . . 100 ILE HD1 . 17610 1 1244 . 1 1 106 106 ILE C C 13 177.199 0.000 . 1 . . . . . 100 ILE C . 17610 1 1245 . 1 1 106 106 ILE CA C 13 65.682 0.047 . 1 . . . . . 100 ILE CA . 17610 1 1246 . 1 1 106 106 ILE CB C 13 37.874 0.044 . 1 . . . . . 100 ILE CB . 17610 1 1247 . 1 1 106 106 ILE CG1 C 13 29.647 0.094 . 1 . . . . . 100 ILE CG1 . 17610 1 1248 . 1 1 106 106 ILE CG2 C 13 17.838 0.078 . 1 . . . . . 100 ILE CG2 . 17610 1 1249 . 1 1 106 106 ILE CD1 C 13 15.679 0.050 . 1 . . . . . 100 ILE CD1 . 17610 1 1250 . 1 1 106 106 ILE N N 15 121.310 0.127 . 1 . . . . . 100 ILE N . 17610 1 1251 . 1 1 107 107 LYS H H 1 7.782 0.004 . 1 . . . . . 101 LYS H . 17610 1 1252 . 1 1 107 107 LYS HA H 1 3.951 0.005 . 1 . . . . . 101 LYS HA . 17610 1 1253 . 1 1 107 107 LYS HB2 H 1 1.683 0.007 . 2 . . . . . 101 LYS HB2 . 17610 1 1254 . 1 1 107 107 LYS HB3 H 1 1.797 0.006 . 2 . . . . . 101 LYS HB3 . 17610 1 1255 . 1 1 107 107 LYS HG2 H 1 1.400 0.009 . 2 . . . . . 101 LYS HG2 . 17610 1 1256 . 1 1 107 107 LYS HG3 H 1 1.463 0.005 . 2 . . . . . 101 LYS HG3 . 17610 1 1257 . 1 1 107 107 LYS HD2 H 1 1.506 0.006 . 2 . . . . . 101 LYS HD2 . 17610 1 1258 . 1 1 107 107 LYS HD3 H 1 1.563 0.003 . 2 . . . . . 101 LYS HD3 . 17610 1 1259 . 1 1 107 107 LYS HE2 H 1 2.844 0.012 . 2 . . . . . 101 LYS HE . 17610 1 1260 . 1 1 107 107 LYS HE3 H 1 2.844 0.012 . 2 . . . . . 101 LYS HE . 17610 1 1261 . 1 1 107 107 LYS C C 13 179.476 0.000 . 1 . . . . . 101 LYS C . 17610 1 1262 . 1 1 107 107 LYS CA C 13 59.571 0.062 . 1 . . . . . 101 LYS CA . 17610 1 1263 . 1 1 107 107 LYS CB C 13 32.227 0.114 . 1 . . . . . 101 LYS CB . 17610 1 1264 . 1 1 107 107 LYS CG C 13 25.040 0.099 . 1 . . . . . 101 LYS CG . 17610 1 1265 . 1 1 107 107 LYS CD C 13 29.835 0.092 . 1 . . . . . 101 LYS CD . 17610 1 1266 . 1 1 107 107 LYS CE C 13 41.323 0.000 . 1 . . . . . 101 LYS CE . 17610 1 1267 . 1 1 107 107 LYS N N 15 118.584 0.237 . 1 . . . . . 101 LYS N . 17610 1 1268 . 1 1 108 108 ARG H H 1 7.777 0.002 . 1 . . . . . 102 ARG H . 17610 1 1269 . 1 1 108 108 ARG HA H 1 4.082 0.006 . 1 . . . . . 102 ARG HA . 17610 1 1270 . 1 1 108 108 ARG HB2 H 1 1.890 0.002 . 2 . . . . . 102 ARG HB2 . 17610 1 1271 . 1 1 108 108 ARG HB3 H 1 1.942 0.006 . 2 . . . . . 102 ARG HB3 . 17610 1 1272 . 1 1 108 108 ARG HG2 H 1 1.545 0.007 . 2 . . . . . 102 ARG HG2 . 17610 1 1273 . 1 1 108 108 ARG HG3 H 1 1.675 0.004 . 2 . . . . . 102 ARG HG3 . 17610 1 1274 . 1 1 108 108 ARG HD2 H 1 3.192 0.002 . 2 . . . . . 102 ARG HD2 . 17610 1 1275 . 1 1 108 108 ARG HD3 H 1 3.235 0.000 . 2 . . . . . 102 ARG HD3 . 17610 1 1276 . 1 1 108 108 ARG C C 13 179.582 0.000 . 1 . . . . . 102 ARG C . 17610 1 1277 . 1 1 108 108 ARG CA C 13 58.946 0.087 . 1 . . . . . 102 ARG CA . 17610 1 1278 . 1 1 108 108 ARG CB C 13 30.097 0.123 . 1 . . . . . 102 ARG CB . 17610 1 1279 . 1 1 108 108 ARG CG C 13 27.134 0.102 . 1 . . . . . 102 ARG CG . 17610 1 1280 . 1 1 108 108 ARG CD C 13 43.223 0.084 . 1 . . . . . 102 ARG CD . 17610 1 1281 . 1 1 108 108 ARG N N 15 119.152 0.069 . 1 . . . . . 102 ARG N . 17610 1 1282 . 1 1 109 109 VAL H H 1 8.282 0.003 . 1 . . . . . 103 VAL H . 17610 1 1283 . 1 1 109 109 VAL HA H 1 3.837 0.006 . 1 . . . . . 103 VAL HA . 17610 1 1284 . 1 1 109 109 VAL HB H 1 2.055 0.004 . 1 . . . . . 103 VAL HB . 17610 1 1285 . 1 1 109 109 VAL HG11 H 1 0.951 0.005 . 2 . . . . . 103 VAL HG1 . 17610 1 1286 . 1 1 109 109 VAL HG12 H 1 0.951 0.005 . 2 . . . . . 103 VAL HG1 . 17610 1 1287 . 1 1 109 109 VAL HG13 H 1 0.951 0.005 . 2 . . . . . 103 VAL HG1 . 17610 1 1288 . 1 1 109 109 VAL HG21 H 1 1.056 0.005 . 2 . . . . . 103 VAL HG2 . 17610 1 1289 . 1 1 109 109 VAL HG22 H 1 1.056 0.005 . 2 . . . . . 103 VAL HG2 . 17610 1 1290 . 1 1 109 109 VAL HG23 H 1 1.056 0.005 . 2 . . . . . 103 VAL HG2 . 17610 1 1291 . 1 1 109 109 VAL C C 13 177.919 0.000 . 1 . . . . . 103 VAL C . 17610 1 1292 . 1 1 109 109 VAL CA C 13 65.393 0.061 . 1 . . . . . 103 VAL CA . 17610 1 1293 . 1 1 109 109 VAL CB C 13 31.599 0.019 . 1 . . . . . 103 VAL CB . 17610 1 1294 . 1 1 109 109 VAL CG1 C 13 21.559 0.114 . 2 . . . . . 103 VAL CG1 . 17610 1 1295 . 1 1 109 109 VAL CG2 C 13 22.317 0.044 . 2 . . . . . 103 VAL CG2 . 17610 1 1296 . 1 1 109 109 VAL N N 15 119.544 0.112 . 1 . . . . . 103 VAL N . 17610 1 1297 . 1 1 110 110 LYS H H 1 8.117 0.003 . 1 . . . . . 104 LYS H . 17610 1 1298 . 1 1 110 110 LYS HA H 1 4.269 0.007 . 1 . . . . . 104 LYS HA . 17610 1 1299 . 1 1 110 110 LYS HB2 H 1 1.821 0.011 . 2 . . . . . 104 LYS HB . 17610 1 1300 . 1 1 110 110 LYS HB3 H 1 1.821 0.011 . 2 . . . . . 104 LYS HB . 17610 1 1301 . 1 1 110 110 LYS HG2 H 1 1.442 0.007 . 2 . . . . . 104 LYS HG2 . 17610 1 1302 . 1 1 110 110 LYS HG3 H 1 1.608 0.009 . 2 . . . . . 104 LYS HG3 . 17610 1 1303 . 1 1 110 110 LYS HD2 H 1 1.856 0.010 . 2 . . . . . 104 LYS HD2 . 17610 1 1304 . 1 1 110 110 LYS HD3 H 1 1.945 0.011 . 2 . . . . . 104 LYS HD3 . 17610 1 1305 . 1 1 110 110 LYS HE2 H 1 3.242 0.007 . 2 . . . . . 104 LYS HE2 . 17610 1 1306 . 1 1 110 110 LYS HE3 H 1 3.282 0.003 . 2 . . . . . 104 LYS HE3 . 17610 1 1307 . 1 1 110 110 LYS C C 13 175.878 0.000 . 1 . . . . . 104 LYS C . 17610 1 1308 . 1 1 110 110 LYS CA C 13 54.797 0.032 . 1 . . . . . 104 LYS CA . 17610 1 1309 . 1 1 110 110 LYS CB C 13 30.687 0.000 . 1 . . . . . 104 LYS CB . 17610 1 1310 . 1 1 110 110 LYS CG C 13 24.248 0.108 . 1 . . . . . 104 LYS CG . 17610 1 1311 . 1 1 110 110 LYS CD C 13 27.526 0.057 . 1 . . . . . 104 LYS CD . 17610 1 1312 . 1 1 110 110 LYS CE C 13 41.837 0.000 . 1 . . . . . 104 LYS CE . 17610 1 1313 . 1 1 110 110 LYS N N 15 117.592 0.178 . 1 . . . . . 104 LYS N . 17610 1 1314 . 1 1 111 111 ASP H H 1 7.958 0.008 . 1 . . . . . 105 ASP H . 17610 1 1315 . 1 1 111 111 ASP HA H 1 4.306 0.006 . 1 . . . . . 105 ASP HA . 17610 1 1316 . 1 1 111 111 ASP HB2 H 1 2.329 0.006 . 2 . . . . . 105 ASP HB2 . 17610 1 1317 . 1 1 111 111 ASP HB3 H 1 3.129 0.004 . 2 . . . . . 105 ASP HB3 . 17610 1 1318 . 1 1 111 111 ASP C C 13 174.496 0.000 . 1 . . . . . 105 ASP C . 17610 1 1319 . 1 1 111 111 ASP CA C 13 54.442 0.029 . 1 . . . . . 105 ASP CA . 17610 1 1320 . 1 1 111 111 ASP CB C 13 39.792 0.041 . 1 . . . . . 105 ASP CB . 17610 1 1321 . 1 1 111 111 ASP N N 15 122.118 0.090 . 1 . . . . . 105 ASP N . 17610 1 1322 . 1 1 112 112 SER H H 1 7.539 0.003 . 1 . . . . . 106 SER H . 17610 1 1323 . 1 1 112 112 SER HA H 1 4.565 0.005 . 1 . . . . . 106 SER HA . 17610 1 1324 . 1 1 112 112 SER HB2 H 1 3.202 0.007 . 2 . . . . . 106 SER HB2 . 17610 1 1325 . 1 1 112 112 SER HB3 H 1 3.802 0.006 . 2 . . . . . 106 SER HB3 . 17610 1 1326 . 1 1 112 112 SER C C 13 172.985 0.000 . 1 . . . . . 106 SER C . 17610 1 1327 . 1 1 112 112 SER CA C 13 56.779 0.126 . 1 . . . . . 106 SER CA . 17610 1 1328 . 1 1 112 112 SER CB C 13 65.259 0.082 . 1 . . . . . 106 SER CB . 17610 1 1329 . 1 1 112 112 SER N N 15 110.372 0.040 . 1 . . . . . 106 SER N . 17610 1 1330 . 1 1 113 113 ASP H H 1 8.385 0.004 . 1 . . . . . 107 ASP H . 17610 1 1331 . 1 1 113 113 ASP HA H 1 4.665 0.010 . 1 . . . . . 107 ASP HA . 17610 1 1332 . 1 1 113 113 ASP HB2 H 1 2.620 0.002 . 2 . . . . . 107 ASP HB2 . 17610 1 1333 . 1 1 113 113 ASP HB3 H 1 2.682 0.002 . 2 . . . . . 107 ASP HB3 . 17610 1 1334 . 1 1 113 113 ASP C C 13 176.066 0.000 . 1 . . . . . 107 ASP C . 17610 1 1335 . 1 1 113 113 ASP CA C 13 54.267 0.051 . 1 . . . . . 107 ASP CA . 17610 1 1336 . 1 1 113 113 ASP CB C 13 41.837 0.000 . 1 . . . . . 107 ASP CB . 17610 1 1337 . 1 1 113 113 ASP N N 15 123.301 0.047 . 1 . . . . . 107 ASP N . 17610 1 1338 . 1 1 114 114 ASP H H 1 8.404 0.003 . 1 . . . . . 108 ASP H . 17610 1 1339 . 1 1 114 114 ASP HA H 1 4.882 0.005 . 1 . . . . . 108 ASP HA . 17610 1 1340 . 1 1 114 114 ASP HB2 H 1 2.534 0.005 . 2 . . . . . 108 ASP HB2 . 17610 1 1341 . 1 1 114 114 ASP HB3 H 1 2.758 0.009 . 2 . . . . . 108 ASP HB3 . 17610 1 1342 . 1 1 114 114 ASP C C 13 174.386 0.000 . 1 . . . . . 108 ASP C . 17610 1 1343 . 1 1 114 114 ASP CA C 13 53.143 0.041 . 1 . . . . . 108 ASP CA . 17610 1 1344 . 1 1 114 114 ASP CB C 13 41.323 0.000 . 1 . . . . . 108 ASP CB . 17610 1 1345 . 1 1 114 114 ASP N N 15 122.347 0.113 . 1 . . . . . 108 ASP N . 17610 1 1346 . 1 1 115 115 VAL H H 1 7.649 0.004 . 1 . . . . . 109 VAL H . 17610 1 1347 . 1 1 115 115 VAL HA H 1 4.337 0.006 . 1 . . . . . 109 VAL HA . 17610 1 1348 . 1 1 115 115 VAL HB H 1 1.727 0.006 . 1 . . . . . 109 VAL HB . 17610 1 1349 . 1 1 115 115 VAL HG11 H 1 0.777 0.004 . 2 . . . . . 109 VAL HG1 . 17610 1 1350 . 1 1 115 115 VAL HG12 H 1 0.777 0.004 . 2 . . . . . 109 VAL HG1 . 17610 1 1351 . 1 1 115 115 VAL HG13 H 1 0.777 0.004 . 2 . . . . . 109 VAL HG1 . 17610 1 1352 . 1 1 115 115 VAL HG21 H 1 0.986 0.005 . 2 . . . . . 109 VAL HG2 . 17610 1 1353 . 1 1 115 115 VAL HG22 H 1 0.986 0.005 . 2 . . . . . 109 VAL HG2 . 17610 1 1354 . 1 1 115 115 VAL HG23 H 1 0.986 0.005 . 2 . . . . . 109 VAL HG2 . 17610 1 1355 . 1 1 115 115 VAL CA C 13 58.984 0.052 . 1 . . . . . 109 VAL CA . 17610 1 1356 . 1 1 115 115 VAL CB C 13 34.932 0.128 . 1 . . . . . 109 VAL CB . 17610 1 1357 . 1 1 115 115 VAL CG1 C 13 21.569 0.042 . 2 . . . . . 109 VAL CG1 . 17610 1 1358 . 1 1 115 115 VAL CG2 C 13 21.203 0.079 . 2 . . . . . 109 VAL CG2 . 17610 1 1359 . 1 1 115 115 VAL N N 15 123.609 0.056 . 1 . . . . . 109 VAL N . 17610 1 1360 . 1 1 116 116 PRO HA H 1 4.430 0.006 . 1 . . . . . 110 PRO HA . 17610 1 1361 . 1 1 116 116 PRO HB2 H 1 1.840 0.004 . 2 . . . . . 110 PRO HB2 . 17610 1 1362 . 1 1 116 116 PRO HB3 H 1 2.129 0.011 . 2 . . . . . 110 PRO HB3 . 17610 1 1363 . 1 1 116 116 PRO HG2 H 1 1.564 0.006 . 2 . . . . . 110 PRO HG2 . 17610 1 1364 . 1 1 116 116 PRO HG3 H 1 2.224 0.006 . 2 . . . . . 110 PRO HG3 . 17610 1 1365 . 1 1 116 116 PRO HD2 H 1 3.790 0.008 . 2 . . . . . 110 PRO HD . 17610 1 1366 . 1 1 116 116 PRO HD3 H 1 3.790 0.008 . 2 . . . . . 110 PRO HD . 17610 1 1367 . 1 1 116 116 PRO C C 13 175.942 0.000 . 1 . . . . . 110 PRO C . 17610 1 1368 . 1 1 116 116 PRO CA C 13 63.872 0.074 . 1 . . . . . 110 PRO CA . 17610 1 1369 . 1 1 116 116 PRO CB C 13 32.120 0.130 . 1 . . . . . 110 PRO CB . 17610 1 1370 . 1 1 116 116 PRO CG C 13 28.469 0.077 . 1 . . . . . 110 PRO CG . 17610 1 1371 . 1 1 116 116 PRO CD C 13 51.260 0.074 . 1 . . . . . 110 PRO CD . 17610 1 1372 . 1 1 117 117 MET H H 1 8.274 0.012 . 1 . . . . . 111 MET H . 17610 1 1373 . 1 1 117 117 MET HA H 1 5.777 0.005 . 1 . . . . . 111 MET HA . 17610 1 1374 . 1 1 117 117 MET HB2 H 1 2.111 0.006 . 2 . . . . . 111 MET HB . 17610 1 1375 . 1 1 117 117 MET HB3 H 1 2.111 0.006 . 2 . . . . . 111 MET HB . 17610 1 1376 . 1 1 117 117 MET HG2 H 1 2.627 0.004 . 2 . . . . . 111 MET HG2 . 17610 1 1377 . 1 1 117 117 MET HG3 H 1 2.675 0.005 . 2 . . . . . 111 MET HG3 . 17610 1 1378 . 1 1 117 117 MET HE1 H 1 1.852 0.007 . 2 . . . . . 111 MET HE . 17610 1 1379 . 1 1 117 117 MET HE2 H 1 1.852 0.007 . 2 . . . . . 111 MET HE . 17610 1 1380 . 1 1 117 117 MET HE3 H 1 1.852 0.007 . 2 . . . . . 111 MET HE . 17610 1 1381 . 1 1 117 117 MET C C 13 173.737 0.000 . 1 . . . . . 111 MET C . 17610 1 1382 . 1 1 117 117 MET CA C 13 55.094 0.142 . 1 . . . . . 111 MET CA . 17610 1 1383 . 1 1 117 117 MET CB C 13 37.889 0.046 . 1 . . . . . 111 MET CB . 17610 1 1384 . 1 1 117 117 MET CG C 13 32.471 0.053 . 1 . . . . . 111 MET CG . 17610 1 1385 . 1 1 117 117 MET CE C 13 17.234 0.054 . 1 . . . . . 111 MET CE . 17610 1 1386 . 1 1 117 117 MET N N 15 124.020 0.047 . 1 . . . . . 111 MET N . 17610 1 1387 . 1 1 118 118 VAL H H 1 8.119 0.006 . 1 . . . . . 112 VAL H . 17610 1 1388 . 1 1 118 118 VAL HA H 1 4.341 0.006 . 1 . . . . . 112 VAL HA . 17610 1 1389 . 1 1 118 118 VAL HB H 1 1.773 0.007 . 1 . . . . . 112 VAL HB . 17610 1 1390 . 1 1 118 118 VAL HG11 H 1 0.764 0.004 . 2 . . . . . 112 VAL HG1 . 17610 1 1391 . 1 1 118 118 VAL HG12 H 1 0.764 0.004 . 2 . . . . . 112 VAL HG1 . 17610 1 1392 . 1 1 118 118 VAL HG13 H 1 0.764 0.004 . 2 . . . . . 112 VAL HG1 . 17610 1 1393 . 1 1 118 118 VAL HG21 H 1 0.792 0.003 . 2 . . . . . 112 VAL HG2 . 17610 1 1394 . 1 1 118 118 VAL HG22 H 1 0.792 0.003 . 2 . . . . . 112 VAL HG2 . 17610 1 1395 . 1 1 118 118 VAL HG23 H 1 0.792 0.003 . 2 . . . . . 112 VAL HG2 . 17610 1 1396 . 1 1 118 118 VAL C C 13 173.171 0.000 . 1 . . . . . 112 VAL C . 17610 1 1397 . 1 1 118 118 VAL CA C 13 60.943 0.115 . 1 . . . . . 112 VAL CA . 17610 1 1398 . 1 1 118 118 VAL CB C 13 37.030 0.050 . 1 . . . . . 112 VAL CB . 17610 1 1399 . 1 1 118 118 VAL CG1 C 13 21.317 0.032 . 2 . . . . . 112 VAL CG1 . 17610 1 1400 . 1 1 118 118 VAL CG2 C 13 22.196 0.090 . 2 . . . . . 112 VAL CG2 . 17610 1 1401 . 1 1 118 118 VAL N N 15 118.747 0.056 . 1 . . . . . 112 VAL N . 17610 1 1402 . 1 1 119 119 LEU H H 1 8.918 0.006 . 1 . . . . . 113 LEU H . 17610 1 1403 . 1 1 119 119 LEU HA H 1 5.157 0.010 . 1 . . . . . 113 LEU HA . 17610 1 1404 . 1 1 119 119 LEU HB2 H 1 1.431 0.011 . 2 . . . . . 113 LEU HB2 . 17610 1 1405 . 1 1 119 119 LEU HB3 H 1 2.522 0.010 . 2 . . . . . 113 LEU HB3 . 17610 1 1406 . 1 1 119 119 LEU HG H 1 2.072 0.012 . 1 . . . . . 113 LEU HG . 17610 1 1407 . 1 1 119 119 LEU HD11 H 1 1.073 0.004 . 2 . . . . . 113 LEU HD1 . 17610 1 1408 . 1 1 119 119 LEU HD12 H 1 1.073 0.004 . 2 . . . . . 113 LEU HD1 . 17610 1 1409 . 1 1 119 119 LEU HD13 H 1 1.073 0.004 . 2 . . . . . 113 LEU HD1 . 17610 1 1410 . 1 1 119 119 LEU HD21 H 1 1.371 0.004 . 2 . . . . . 113 LEU HD2 . 17610 1 1411 . 1 1 119 119 LEU HD22 H 1 1.371 0.004 . 2 . . . . . 113 LEU HD2 . 17610 1 1412 . 1 1 119 119 LEU HD23 H 1 1.371 0.004 . 2 . . . . . 113 LEU HD2 . 17610 1 1413 . 1 1 119 119 LEU C C 13 173.496 0.000 . 1 . . . . . 113 LEU C . 17610 1 1414 . 1 1 119 119 LEU CA C 13 53.828 0.127 . 1 . . . . . 113 LEU CA . 17610 1 1415 . 1 1 119 119 LEU CB C 13 43.876 0.075 . 1 . . . . . 113 LEU CB . 17610 1 1416 . 1 1 119 119 LEU CG C 13 28.208 0.243 . 1 . . . . . 113 LEU CG . 17610 1 1417 . 1 1 119 119 LEU CD1 C 13 27.393 0.134 . 2 . . . . . 113 LEU CD1 . 17610 1 1418 . 1 1 119 119 LEU CD2 C 13 25.407 0.046 . 2 . . . . . 113 LEU CD2 . 17610 1 1419 . 1 1 119 119 LEU N N 15 129.931 0.077 . 1 . . . . . 113 LEU N . 17610 1 1420 . 1 1 120 120 VAL H H 1 9.173 0.005 . 1 . . . . . 114 VAL H . 17610 1 1421 . 1 1 120 120 VAL HA H 1 5.117 0.009 . 1 . . . . . 114 VAL HA . 17610 1 1422 . 1 1 120 120 VAL HB H 1 1.693 0.007 . 1 . . . . . 114 VAL HB . 17610 1 1423 . 1 1 120 120 VAL HG11 H 1 0.617 0.007 . 2 . . . . . 114 VAL HG1 . 17610 1 1424 . 1 1 120 120 VAL HG12 H 1 0.617 0.007 . 2 . . . . . 114 VAL HG1 . 17610 1 1425 . 1 1 120 120 VAL HG13 H 1 0.617 0.007 . 2 . . . . . 114 VAL HG1 . 17610 1 1426 . 1 1 120 120 VAL HG21 H 1 0.692 0.007 . 2 . . . . . 114 VAL HG2 . 17610 1 1427 . 1 1 120 120 VAL HG22 H 1 0.692 0.007 . 2 . . . . . 114 VAL HG2 . 17610 1 1428 . 1 1 120 120 VAL HG23 H 1 0.692 0.007 . 2 . . . . . 114 VAL HG2 . 17610 1 1429 . 1 1 120 120 VAL C C 13 173.667 0.000 . 1 . . . . . 114 VAL C . 17610 1 1430 . 1 1 120 120 VAL CA C 13 60.124 0.129 . 1 . . . . . 114 VAL CA . 17610 1 1431 . 1 1 120 120 VAL CB C 13 35.225 0.035 . 1 . . . . . 114 VAL CB . 17610 1 1432 . 1 1 120 120 VAL CG1 C 13 23.047 0.056 . 2 . . . . . 114 VAL CG1 . 17610 1 1433 . 1 1 120 120 VAL CG2 C 13 23.167 0.104 . 2 . . . . . 114 VAL CG2 . 17610 1 1434 . 1 1 120 120 VAL N N 15 129.371 0.097 . 1 . . . . . 114 VAL N . 17610 1 1435 . 1 1 121 121 GLY H H 1 8.046 0.006 . 1 . . . . . 115 GLY H . 17610 1 1436 . 1 1 121 121 GLY HA2 H 1 2.825 0.005 . 2 . . . . . 115 GLY HA . 17610 1 1437 . 1 1 121 121 GLY HA3 H 1 2.825 0.005 . 2 . . . . . 115 GLY HA . 17610 1 1438 . 1 1 121 121 GLY C C 13 171.603 0.000 . 1 . . . . . 115 GLY C . 17610 1 1439 . 1 1 121 121 GLY CA C 13 45.256 0.071 . 1 . . . . . 115 GLY CA . 17610 1 1440 . 1 1 121 121 GLY N N 15 115.789 0.077 . 1 . . . . . 115 GLY N . 17610 1 1441 . 1 1 122 122 ASN H H 1 8.756 0.008 . 1 . . . . . 116 ASN H . 17610 1 1442 . 1 1 122 122 ASN HA H 1 5.620 0.005 . 1 . . . . . 116 ASN HA . 17610 1 1443 . 1 1 122 122 ASN HB2 H 1 2.182 0.008 . 2 . . . . . 116 ASN HB2 . 17610 1 1444 . 1 1 122 122 ASN HB3 H 1 2.524 0.008 . 2 . . . . . 116 ASN HB3 . 17610 1 1445 . 1 1 122 122 ASN HD21 H 1 7.326 0.008 . 2 . . . . . 116 ASN HD21 . 17610 1 1446 . 1 1 122 122 ASN HD22 H 1 8.839 0.005 . 2 . . . . . 116 ASN HD22 . 17610 1 1447 . 1 1 122 122 ASN C C 13 174.732 0.000 . 1 . . . . . 116 ASN C . 17610 1 1448 . 1 1 122 122 ASN CA C 13 51.492 0.082 . 1 . . . . . 116 ASN CA . 17610 1 1449 . 1 1 122 122 ASN CB C 13 41.323 0.000 . 1 . . . . . 116 ASN CB . 17610 1 1450 . 1 1 122 122 ASN N N 15 122.349 0.074 . 1 . . . . . 116 ASN N . 17610 1 1451 . 1 1 122 122 ASN ND2 N 15 120.818 0.141 . 1 . . . . . 116 ASN ND2 . 17610 1 1452 . 1 1 123 123 LYS H H 1 7.342 0.003 . 1 . . . . . 117 LYS H . 17610 1 1453 . 1 1 123 123 LYS HA H 1 4.280 0.005 . 1 . . . . . 117 LYS HA . 17610 1 1454 . 1 1 123 123 LYS HB2 H 1 1.671 0.004 . 2 . . . . . 117 LYS HB2 . 17610 1 1455 . 1 1 123 123 LYS HB3 H 1 2.377 0.008 . 2 . . . . . 117 LYS HB3 . 17610 1 1456 . 1 1 123 123 LYS C C 13 177.324 0.000 . 1 . . . . . 117 LYS C . 17610 1 1457 . 1 1 123 123 LYS CA C 13 57.273 0.044 . 1 . . . . . 117 LYS CA . 17610 1 1458 . 1 1 123 123 LYS CB C 13 29.775 0.000 . 1 . . . . . 117 LYS CB . 17610 1 1459 . 1 1 123 123 LYS N N 15 113.297 0.160 . 1 . . . . . 117 LYS N . 17610 1 1460 . 1 1 124 124 CYS H H 1 8.763 0.004 . 1 . . . . . 118 CYS H . 17610 1 1461 . 1 1 124 124 CYS HA H 1 4.292 0.006 . 1 . . . . . 118 CYS HA . 17610 1 1462 . 1 1 124 124 CYS HB2 H 1 2.540 0.006 . 2 . . . . . 118 CYS HB2 . 17610 1 1463 . 1 1 124 124 CYS HB3 H 1 3.097 0.005 . 2 . . . . . 118 CYS HB3 . 17610 1 1464 . 1 1 124 124 CYS C C 13 173.325 0.000 . 1 . . . . . 118 CYS C . 17610 1 1465 . 1 1 124 124 CYS CA C 13 60.698 0.142 . 1 . . . . . 118 CYS CA . 17610 1 1466 . 1 1 124 124 CYS CB C 13 26.387 0.049 . 1 . . . . . 118 CYS CB . 17610 1 1467 . 1 1 124 124 CYS N N 15 115.340 0.121 . 1 . . . . . 118 CYS N . 17610 1 1468 . 1 1 125 125 ASP H H 1 8.613 0.006 . 1 . . . . . 119 ASP H . 17610 1 1469 . 1 1 125 125 ASP HA H 1 4.476 0.006 . 1 . . . . . 119 ASP HA . 17610 1 1470 . 1 1 125 125 ASP HB2 H 1 2.610 0.003 . 2 . . . . . 119 ASP HB . 17610 1 1471 . 1 1 125 125 ASP HB3 H 1 2.610 0.003 . 2 . . . . . 119 ASP HB . 17610 1 1472 . 1 1 125 125 ASP C C 13 175.464 0.000 . 1 . . . . . 119 ASP C . 17610 1 1473 . 1 1 125 125 ASP CA C 13 53.951 0.147 . 1 . . . . . 119 ASP CA . 17610 1 1474 . 1 1 125 125 ASP CB C 13 41.323 0.000 . 1 . . . . . 119 ASP CB . 17610 1 1475 . 1 1 125 125 ASP N N 15 118.603 0.084 . 1 . . . . . 119 ASP N . 17610 1 1476 . 1 1 126 126 LEU H H 1 7.802 0.005 . 1 . . . . . 120 LEU H . 17610 1 1477 . 1 1 126 126 LEU HA H 1 4.241 0.008 . 1 . . . . . 120 LEU HA . 17610 1 1478 . 1 1 126 126 LEU HB2 H 1 1.323 0.007 . 2 . . . . . 120 LEU HB2 . 17610 1 1479 . 1 1 126 126 LEU HB3 H 1 1.916 0.005 . 2 . . . . . 120 LEU HB3 . 17610 1 1480 . 1 1 126 126 LEU HG H 1 1.715 0.007 . 1 . . . . . 120 LEU HG . 17610 1 1481 . 1 1 126 126 LEU HD11 H 1 0.855 0.002 . 2 . . . . . 120 LEU HD1 . 17610 1 1482 . 1 1 126 126 LEU HD12 H 1 0.855 0.002 . 2 . . . . . 120 LEU HD1 . 17610 1 1483 . 1 1 126 126 LEU HD13 H 1 0.855 0.002 . 2 . . . . . 120 LEU HD1 . 17610 1 1484 . 1 1 126 126 LEU HD21 H 1 0.882 0.003 . 2 . . . . . 120 LEU HD2 . 17610 1 1485 . 1 1 126 126 LEU HD22 H 1 0.882 0.003 . 2 . . . . . 120 LEU HD2 . 17610 1 1486 . 1 1 126 126 LEU HD23 H 1 0.882 0.003 . 2 . . . . . 120 LEU HD2 . 17610 1 1487 . 1 1 126 126 LEU C C 13 176.420 0.000 . 1 . . . . . 120 LEU C . 17610 1 1488 . 1 1 126 126 LEU CA C 13 54.723 0.155 . 1 . . . . . 120 LEU CA . 17610 1 1489 . 1 1 126 126 LEU CB C 13 41.837 0.000 . 1 . . . . . 120 LEU CB . 17610 1 1490 . 1 1 126 126 LEU CG C 13 26.382 0.000 . 1 . . . . . 120 LEU CG . 17610 1 1491 . 1 1 126 126 LEU CD1 C 13 22.125 0.172 . 2 . . . . . 120 LEU CD1 . 17610 1 1492 . 1 1 126 126 LEU CD2 C 13 27.009 0.091 . 2 . . . . . 120 LEU CD2 . 17610 1 1493 . 1 1 126 126 LEU N N 15 122.098 0.102 . 1 . . . . . 120 LEU N . 17610 1 1494 . 1 1 127 127 ALA H H 1 8.160 0.005 . 1 . . . . . 121 ALA H . 17610 1 1495 . 1 1 127 127 ALA HA H 1 4.214 0.003 . 1 . . . . . 121 ALA HA . 17610 1 1496 . 1 1 127 127 ALA HB1 H 1 1.443 0.002 . 1 . . . . . 121 ALA HB . 17610 1 1497 . 1 1 127 127 ALA HB2 H 1 1.443 0.002 . 1 . . . . . 121 ALA HB . 17610 1 1498 . 1 1 127 127 ALA HB3 H 1 1.443 0.002 . 1 . . . . . 121 ALA HB . 17610 1 1499 . 1 1 127 127 ALA C C 13 178.717 0.000 . 1 . . . . . 121 ALA C . 17610 1 1500 . 1 1 127 127 ALA CA C 13 53.179 0.049 . 1 . . . . . 121 ALA CA . 17610 1 1501 . 1 1 127 127 ALA CB C 13 18.871 0.018 . 1 . . . . . 121 ALA CB . 17610 1 1502 . 1 1 127 127 ALA N N 15 123.959 0.115 . 1 . . . . . 121 ALA N . 17610 1 1503 . 1 1 128 128 ALA H H 1 7.698 0.003 . 1 . . . . . 122 ALA H . 17610 1 1504 . 1 1 128 128 ALA HA H 1 4.524 0.007 . 1 . . . . . 122 ALA HA . 17610 1 1505 . 1 1 128 128 ALA HB1 H 1 1.328 0.003 . 1 . . . . . 122 ALA HB . 17610 1 1506 . 1 1 128 128 ALA HB2 H 1 1.328 0.003 . 1 . . . . . 122 ALA HB . 17610 1 1507 . 1 1 128 128 ALA HB3 H 1 1.328 0.003 . 1 . . . . . 122 ALA HB . 17610 1 1508 . 1 1 128 128 ALA C C 13 175.272 0.000 . 1 . . . . . 122 ALA C . 17610 1 1509 . 1 1 128 128 ALA CA C 13 51.259 0.080 . 1 . . . . . 122 ALA CA . 17610 1 1510 . 1 1 128 128 ALA CB C 13 17.623 0.036 . 1 . . . . . 122 ALA CB . 17610 1 1511 . 1 1 128 128 ALA N N 15 123.078 0.058 . 1 . . . . . 122 ALA N . 17610 1 1512 . 1 1 129 129 ARG H H 1 7.992 0.003 . 1 . . . . . 123 ARG H . 17610 1 1513 . 1 1 129 129 ARG HA H 1 4.093 0.006 . 1 . . . . . 123 ARG HA . 17610 1 1514 . 1 1 129 129 ARG HB2 H 1 1.621 0.006 . 2 . . . . . 123 ARG HB2 . 17610 1 1515 . 1 1 129 129 ARG HB3 H 1 1.875 0.006 . 2 . . . . . 123 ARG HB3 . 17610 1 1516 . 1 1 129 129 ARG HG2 H 1 1.421 0.006 . 2 . . . . . 123 ARG HG2 . 17610 1 1517 . 1 1 129 129 ARG HG3 H 1 1.456 0.003 . 2 . . . . . 123 ARG HG3 . 17610 1 1518 . 1 1 129 129 ARG HD2 H 1 3.143 0.008 . 2 . . . . . 123 ARG HD2 . 17610 1 1519 . 1 1 129 129 ARG HD3 H 1 3.466 0.005 . 2 . . . . . 123 ARG HD3 . 17610 1 1520 . 1 1 129 129 ARG HE H 1 7.151 0.008 . 1 . . . . . 123 ARG HE . 17610 1 1521 . 1 1 129 129 ARG C C 13 176.271 0.000 . 1 . . . . . 123 ARG C . 17610 1 1522 . 1 1 129 129 ARG CA C 13 55.596 0.085 . 1 . . . . . 123 ARG CA . 17610 1 1523 . 1 1 129 129 ARG CB C 13 32.696 0.153 . 1 . . . . . 123 ARG CB . 17610 1 1524 . 1 1 129 129 ARG CG C 13 27.075 0.089 . 1 . . . . . 123 ARG CG . 17610 1 1525 . 1 1 129 129 ARG CD C 13 44.321 0.144 . 1 . . . . . 123 ARG CD . 17610 1 1526 . 1 1 129 129 ARG N N 15 121.454 0.089 . 1 . . . . . 123 ARG N . 17610 1 1527 . 1 1 129 129 ARG NE N 15 84.444 0.041 . 1 . . . . . 123 ARG NE . 17610 1 1528 . 1 1 130 130 THR H H 1 9.145 0.005 . 1 . . . . . 124 THR H . 17610 1 1529 . 1 1 130 130 THR HA H 1 4.564 0.006 . 1 . . . . . 124 THR HA . 17610 1 1530 . 1 1 130 130 THR HB H 1 4.272 0.005 . 1 . . . . . 124 THR HB . 17610 1 1531 . 1 1 130 130 THR HG21 H 1 1.113 0.003 . 2 . . . . . 124 THR HG2 . 17610 1 1532 . 1 1 130 130 THR HG22 H 1 1.113 0.003 . 2 . . . . . 124 THR HG2 . 17610 1 1533 . 1 1 130 130 THR HG23 H 1 1.113 0.003 . 2 . . . . . 124 THR HG2 . 17610 1 1534 . 1 1 130 130 THR C C 13 174.119 0.000 . 1 . . . . . 124 THR C . 17610 1 1535 . 1 1 130 130 THR CA C 13 61.746 0.036 . 1 . . . . . 124 THR CA . 17610 1 1536 . 1 1 130 130 THR CB C 13 69.094 0.046 . 1 . . . . . 124 THR CB . 17610 1 1537 . 1 1 130 130 THR CG2 C 13 22.254 0.029 . 1 . . . . . 124 THR CG2 . 17610 1 1538 . 1 1 130 130 THR N N 15 115.617 0.090 . 1 . . . . . 124 THR N . 17610 1 1539 . 1 1 131 131 VAL H H 1 7.618 0.005 . 1 . . . . . 125 VAL H . 17610 1 1540 . 1 1 131 131 VAL HA H 1 4.015 0.007 . 1 . . . . . 125 VAL HA . 17610 1 1541 . 1 1 131 131 VAL HB H 1 1.829 0.004 . 1 . . . . . 125 VAL HB . 17610 1 1542 . 1 1 131 131 VAL HG11 H 1 -0.117 0.006 . 2 . . . . . 125 VAL HG1 . 17610 1 1543 . 1 1 131 131 VAL HG12 H 1 -0.117 0.006 . 2 . . . . . 125 VAL HG1 . 17610 1 1544 . 1 1 131 131 VAL HG13 H 1 -0.117 0.006 . 2 . . . . . 125 VAL HG1 . 17610 1 1545 . 1 1 131 131 VAL HG21 H 1 0.694 0.004 . 2 . . . . . 125 VAL HG2 . 17610 1 1546 . 1 1 131 131 VAL HG22 H 1 0.694 0.004 . 2 . . . . . 125 VAL HG2 . 17610 1 1547 . 1 1 131 131 VAL HG23 H 1 0.694 0.004 . 2 . . . . . 125 VAL HG2 . 17610 1 1548 . 1 1 131 131 VAL C C 13 175.658 0.000 . 1 . . . . . 125 VAL C . 17610 1 1549 . 1 1 131 131 VAL CA C 13 61.373 0.079 . 1 . . . . . 125 VAL CA . 17610 1 1550 . 1 1 131 131 VAL CB C 13 33.147 0.097 . 1 . . . . . 125 VAL CB . 17610 1 1551 . 1 1 131 131 VAL CG1 C 13 19.104 0.038 . 2 . . . . . 125 VAL CG1 . 17610 1 1552 . 1 1 131 131 VAL CG2 C 13 20.145 0.145 . 2 . . . . . 125 VAL CG2 . 17610 1 1553 . 1 1 131 131 VAL N N 15 125.688 0.068 . 1 . . . . . 125 VAL N . 17610 1 1554 . 1 1 132 132 GLU H H 1 8.727 0.006 . 1 . . . . . 126 GLU H . 17610 1 1555 . 1 1 132 132 GLU HA H 1 4.228 0.005 . 1 . . . . . 126 GLU HA . 17610 1 1556 . 1 1 132 132 GLU HB2 H 1 1.846 0.004 . 2 . . . . . 126 GLU HB2 . 17610 1 1557 . 1 1 132 132 GLU HB3 H 1 2.252 0.003 . 2 . . . . . 126 GLU HB3 . 17610 1 1558 . 1 1 132 132 GLU HG2 H 1 2.264 0.007 . 2 . . . . . 126 GLU HG2 . 17610 1 1559 . 1 1 132 132 GLU HG3 H 1 2.390 0.004 . 2 . . . . . 126 GLU HG3 . 17610 1 1560 . 1 1 132 132 GLU C C 13 177.986 0.000 . 1 . . . . . 126 GLU C . 17610 1 1561 . 1 1 132 132 GLU CA C 13 56.323 0.103 . 1 . . . . . 126 GLU CA . 17610 1 1562 . 1 1 132 132 GLU CB C 13 30.158 0.090 . 1 . . . . . 126 GLU CB . 17610 1 1563 . 1 1 132 132 GLU CG C 13 36.090 0.103 . 1 . . . . . 126 GLU CG . 17610 1 1564 . 1 1 132 132 GLU N N 15 128.319 0.071 . 1 . . . . . 126 GLU N . 17610 1 1565 . 1 1 133 133 SER H H 1 9.421 0.003 . 1 . . . . . 127 SER H . 17610 1 1566 . 1 1 133 133 SER HA H 1 4.074 0.011 . 1 . . . . . 127 SER HA . 17610 1 1567 . 1 1 133 133 SER HB2 H 1 3.928 0.008 . 2 . . . . . 127 SER HB . 17610 1 1568 . 1 1 133 133 SER HB3 H 1 3.928 0.008 . 2 . . . . . 127 SER HB . 17610 1 1569 . 1 1 133 133 SER C C 13 176.633 0.000 . 1 . . . . . 127 SER C . 17610 1 1570 . 1 1 133 133 SER CA C 13 62.598 0.053 . 1 . . . . . 127 SER CA . 17610 1 1571 . 1 1 133 133 SER CB C 13 62.511 0.029 . 1 . . . . . 127 SER CB . 17610 1 1572 . 1 1 133 133 SER N N 15 122.970 0.047 . 1 . . . . . 127 SER N . 17610 1 1573 . 1 1 134 134 ARG H H 1 8.675 0.006 . 1 . . . . . 128 ARG H . 17610 1 1574 . 1 1 134 134 ARG HA H 1 4.028 0.007 . 1 . . . . . 128 ARG HA . 17610 1 1575 . 1 1 134 134 ARG HB2 H 1 1.711 0.004 . 2 . . . . . 128 ARG HB2 . 17610 1 1576 . 1 1 134 134 ARG HB3 H 1 1.892 0.005 . 2 . . . . . 128 ARG HB3 . 17610 1 1577 . 1 1 134 134 ARG HG2 H 1 1.621 0.006 . 2 . . . . . 128 ARG HG . 17610 1 1578 . 1 1 134 134 ARG HG3 H 1 1.621 0.006 . 2 . . . . . 128 ARG HG . 17610 1 1579 . 1 1 134 134 ARG HD2 H 1 3.158 0.003 . 2 . . . . . 128 ARG HD2 . 17610 1 1580 . 1 1 134 134 ARG HD3 H 1 3.207 0.003 . 2 . . . . . 128 ARG HD3 . 17610 1 1581 . 1 1 134 134 ARG C C 13 177.739 0.000 . 1 . . . . . 128 ARG C . 17610 1 1582 . 1 1 134 134 ARG CA C 13 58.785 0.035 . 1 . . . . . 128 ARG CA . 17610 1 1583 . 1 1 134 134 ARG CB C 13 29.752 0.075 . 1 . . . . . 128 ARG CB . 17610 1 1584 . 1 1 134 134 ARG CG C 13 26.602 0.090 . 1 . . . . . 128 ARG CG . 17610 1 1585 . 1 1 134 134 ARG CD C 13 43.157 0.095 . 1 . . . . . 128 ARG CD . 17610 1 1586 . 1 1 134 134 ARG N N 15 119.141 0.037 . 1 . . . . . 128 ARG N . 17610 1 1587 . 1 1 135 135 GLN H H 1 6.796 0.006 . 1 . . . . . 129 GLN H . 17610 1 1588 . 1 1 135 135 GLN HA H 1 4.091 0.010 . 1 . . . . . 129 GLN HA . 17610 1 1589 . 1 1 135 135 GLN HB2 H 1 1.931 0.004 . 2 . . . . . 129 GLN HB2 . 17610 1 1590 . 1 1 135 135 GLN HB3 H 1 2.049 0.005 . 2 . . . . . 129 GLN HB3 . 17610 1 1591 . 1 1 135 135 GLN HG2 H 1 2.314 0.007 . 2 . . . . . 129 GLN HG . 17610 1 1592 . 1 1 135 135 GLN HG3 H 1 2.314 0.007 . 2 . . . . . 129 GLN HG . 17610 1 1593 . 1 1 135 135 GLN HE21 H 1 6.979 0.007 . 2 . . . . . 129 GLN HE21 . 17610 1 1594 . 1 1 135 135 GLN HE22 H 1 7.607 0.003 . 2 . . . . . 129 GLN HE22 . 17610 1 1595 . 1 1 135 135 GLN C C 13 179.009 0.000 . 1 . . . . . 129 GLN C . 17610 1 1596 . 1 1 135 135 GLN CA C 13 58.389 0.088 . 1 . . . . . 129 GLN CA . 17610 1 1597 . 1 1 135 135 GLN CB C 13 28.916 0.176 . 1 . . . . . 129 GLN CB . 17610 1 1598 . 1 1 135 135 GLN CG C 13 34.586 0.066 . 1 . . . . . 129 GLN CG . 17610 1 1599 . 1 1 135 135 GLN N N 15 118.050 0.042 . 1 . . . . . 129 GLN N . 17610 1 1600 . 1 1 135 135 GLN NE2 N 15 112.861 0.070 . 1 . . . . . 129 GLN NE2 . 17610 1 1601 . 1 1 136 136 ALA H H 1 7.017 0.006 . 1 . . . . . 130 ALA H . 17610 1 1602 . 1 1 136 136 ALA HA H 1 3.933 0.006 . 1 . . . . . 130 ALA HA . 17610 1 1603 . 1 1 136 136 ALA HB1 H 1 0.855 0.005 . 1 . . . . . 130 ALA HB . 17610 1 1604 . 1 1 136 136 ALA HB2 H 1 0.855 0.005 . 1 . . . . . 130 ALA HB . 17610 1 1605 . 1 1 136 136 ALA HB3 H 1 0.855 0.005 . 1 . . . . . 130 ALA HB . 17610 1 1606 . 1 1 136 136 ALA C C 13 178.155 0.000 . 1 . . . . . 130 ALA C . 17610 1 1607 . 1 1 136 136 ALA CA C 13 54.760 0.053 . 1 . . . . . 130 ALA CA . 17610 1 1608 . 1 1 136 136 ALA CB C 13 18.546 0.091 . 1 . . . . . 130 ALA CB . 17610 1 1609 . 1 1 136 136 ALA N N 15 124.769 0.055 . 1 . . . . . 130 ALA N . 17610 1 1610 . 1 1 137 137 GLN H H 1 8.602 0.005 . 1 . . . . . 131 GLN H . 17610 1 1611 . 1 1 137 137 GLN HA H 1 3.720 0.004 . 1 . . . . . 131 GLN HA . 17610 1 1612 . 1 1 137 137 GLN HB2 H 1 2.041 0.008 . 2 . . . . . 131 GLN HB2 . 17610 1 1613 . 1 1 137 137 GLN HB3 H 1 2.163 0.007 . 2 . . . . . 131 GLN HB3 . 17610 1 1614 . 1 1 137 137 GLN HG2 H 1 2.538 0.005 . 2 . . . . . 131 GLN HG . 17610 1 1615 . 1 1 137 137 GLN HG3 H 1 2.538 0.005 . 2 . . . . . 131 GLN HG . 17610 1 1616 . 1 1 137 137 GLN HE21 H 1 6.980 0.008 . 2 . . . . . 131 GLN HE21 . 17610 1 1617 . 1 1 137 137 GLN HE22 H 1 7.515 0.006 . 2 . . . . . 131 GLN HE22 . 17610 1 1618 . 1 1 137 137 GLN C C 13 179.387 0.000 . 1 . . . . . 131 GLN C . 17610 1 1619 . 1 1 137 137 GLN CA C 13 58.815 0.062 . 1 . . . . . 131 GLN CA . 17610 1 1620 . 1 1 137 137 GLN CB C 13 28.503 0.115 . 1 . . . . . 131 GLN CB . 17610 1 1621 . 1 1 137 137 GLN CG C 13 34.503 0.057 . 1 . . . . . 131 GLN CG . 17610 1 1622 . 1 1 137 137 GLN N N 15 119.215 0.089 . 1 . . . . . 131 GLN N . 17610 1 1623 . 1 1 137 137 GLN NE2 N 15 112.465 0.107 . 1 . . . . . 131 GLN NE2 . 17610 1 1624 . 1 1 138 138 ASP H H 1 8.203 0.005 . 1 . . . . . 132 ASP H . 17610 1 1625 . 1 1 138 138 ASP HA H 1 4.371 0.005 . 1 . . . . . 132 ASP HA . 17610 1 1626 . 1 1 138 138 ASP HB2 H 1 2.576 0.006 . 2 . . . . . 132 ASP HB2 . 17610 1 1627 . 1 1 138 138 ASP HB3 H 1 2.766 0.004 . 2 . . . . . 132 ASP HB3 . 17610 1 1628 . 1 1 138 138 ASP C C 13 178.855 0.000 . 1 . . . . . 132 ASP C . 17610 1 1629 . 1 1 138 138 ASP CA C 13 57.425 0.157 . 1 . . . . . 132 ASP CA . 17610 1 1630 . 1 1 138 138 ASP CB C 13 40.860 0.067 . 1 . . . . . 132 ASP CB . 17610 1 1631 . 1 1 138 138 ASP N N 15 121.298 0.059 . 1 . . . . . 132 ASP N . 17610 1 1632 . 1 1 139 139 LEU H H 1 7.485 0.006 . 1 . . . . . 133 LEU H . 17610 1 1633 . 1 1 139 139 LEU HA H 1 3.888 0.009 . 1 . . . . . 133 LEU HA . 17610 1 1634 . 1 1 139 139 LEU HB2 H 1 1.445 0.007 . 2 . . . . . 133 LEU HB2 . 17610 1 1635 . 1 1 139 139 LEU HB3 H 1 1.777 0.005 . 2 . . . . . 133 LEU HB3 . 17610 1 1636 . 1 1 139 139 LEU HG H 1 0.829 0.010 . 1 . . . . . 133 LEU HG . 17610 1 1637 . 1 1 139 139 LEU HD11 H 1 0.466 0.004 . 2 . . . . . 133 LEU HD1 . 17610 1 1638 . 1 1 139 139 LEU HD12 H 1 0.466 0.004 . 2 . . . . . 133 LEU HD1 . 17610 1 1639 . 1 1 139 139 LEU HD13 H 1 0.466 0.004 . 2 . . . . . 133 LEU HD1 . 17610 1 1640 . 1 1 139 139 LEU HD21 H 1 0.495 0.004 . 2 . . . . . 133 LEU HD2 . 17610 1 1641 . 1 1 139 139 LEU HD22 H 1 0.495 0.004 . 2 . . . . . 133 LEU HD2 . 17610 1 1642 . 1 1 139 139 LEU HD23 H 1 0.495 0.004 . 2 . . . . . 133 LEU HD2 . 17610 1 1643 . 1 1 139 139 LEU C C 13 178.953 0.000 . 1 . . . . . 133 LEU C . 17610 1 1644 . 1 1 139 139 LEU CA C 13 57.827 0.124 . 1 . . . . . 133 LEU CA . 17610 1 1645 . 1 1 139 139 LEU CB C 13 41.837 0.000 . 1 . . . . . 133 LEU CB . 17610 1 1646 . 1 1 139 139 LEU CG C 13 26.647 0.183 . 1 . . . . . 133 LEU CG . 17610 1 1647 . 1 1 139 139 LEU CD1 C 13 25.998 0.057 . 2 . . . . . 133 LEU CD1 . 17610 1 1648 . 1 1 139 139 LEU CD2 C 13 22.710 0.035 . 2 . . . . . 133 LEU CD2 . 17610 1 1649 . 1 1 139 139 LEU N N 15 124.786 0.078 . 1 . . . . . 133 LEU N . 17610 1 1650 . 1 1 140 140 ALA H H 1 8.426 0.006 . 1 . . . . . 134 ALA H . 17610 1 1651 . 1 1 140 140 ALA HA H 1 3.783 0.008 . 1 . . . . . 134 ALA HA . 17610 1 1652 . 1 1 140 140 ALA HB1 H 1 1.727 0.003 . 1 . . . . . 134 ALA HB . 17610 1 1653 . 1 1 140 140 ALA HB2 H 1 1.727 0.003 . 1 . . . . . 134 ALA HB . 17610 1 1654 . 1 1 140 140 ALA HB3 H 1 1.727 0.003 . 1 . . . . . 134 ALA HB . 17610 1 1655 . 1 1 140 140 ALA C C 13 179.902 0.000 . 1 . . . . . 134 ALA C . 17610 1 1656 . 1 1 140 140 ALA CA C 13 55.832 0.080 . 1 . . . . . 134 ALA CA . 17610 1 1657 . 1 1 140 140 ALA CB C 13 18.120 0.064 . 1 . . . . . 134 ALA CB . 17610 1 1658 . 1 1 140 140 ALA N N 15 123.038 0.077 . 1 . . . . . 134 ALA N . 17610 1 1659 . 1 1 141 141 ARG H H 1 8.459 0.005 . 1 . . . . . 135 ARG H . 17610 1 1660 . 1 1 141 141 ARG HA H 1 4.194 0.005 . 1 . . . . . 135 ARG HA . 17610 1 1661 . 1 1 141 141 ARG HB2 H 1 1.973 0.000 . 2 . . . . . 135 ARG HB2 . 17610 1 1662 . 1 1 141 141 ARG HB3 H 1 2.032 0.005 . 2 . . . . . 135 ARG HB3 . 17610 1 1663 . 1 1 141 141 ARG HG2 H 1 1.671 0.007 . 2 . . . . . 135 ARG HG2 . 17610 1 1664 . 1 1 141 141 ARG HG3 H 1 1.813 0.009 . 2 . . . . . 135 ARG HG3 . 17610 1 1665 . 1 1 141 141 ARG HD2 H 1 3.276 0.004 . 2 . . . . . 135 ARG HD . 17610 1 1666 . 1 1 141 141 ARG HD3 H 1 3.276 0.004 . 2 . . . . . 135 ARG HD . 17610 1 1667 . 1 1 141 141 ARG C C 13 180.037 0.000 . 1 . . . . . 135 ARG C . 17610 1 1668 . 1 1 141 141 ARG CA C 13 59.331 0.050 . 1 . . . . . 135 ARG CA . 17610 1 1669 . 1 1 141 141 ARG CB C 13 29.864 0.072 . 1 . . . . . 135 ARG CB . 17610 1 1670 . 1 1 141 141 ARG CG C 13 27.797 0.100 . 1 . . . . . 135 ARG CG . 17610 1 1671 . 1 1 141 141 ARG CD C 13 43.324 0.024 . 1 . . . . . 135 ARG CD . 17610 1 1672 . 1 1 141 141 ARG N N 15 119.537 0.073 . 1 . . . . . 135 ARG N . 17610 1 1673 . 1 1 142 142 SER H H 1 7.944 0.005 . 1 . . . . . 136 SER H . 17610 1 1674 . 1 1 142 142 SER HA H 1 4.277 0.005 . 1 . . . . . 136 SER HA . 17610 1 1675 . 1 1 142 142 SER HB2 H 1 3.941 0.006 . 2 . . . . . 136 SER HB . 17610 1 1676 . 1 1 142 142 SER HB3 H 1 3.941 0.006 . 2 . . . . . 136 SER HB . 17610 1 1677 . 1 1 142 142 SER C C 13 176.127 0.000 . 1 . . . . . 136 SER C . 17610 1 1678 . 1 1 142 142 SER CA C 13 61.509 0.093 . 1 . . . . . 136 SER CA . 17610 1 1679 . 1 1 142 142 SER CB C 13 62.529 0.041 . 1 . . . . . 136 SER CB . 17610 1 1680 . 1 1 142 142 SER N N 15 118.958 0.113 . 1 . . . . . 136 SER N . 17610 1 1681 . 1 1 143 143 TYR H H 1 7.623 0.007 . 1 . . . . . 137 TYR H . 17610 1 1682 . 1 1 143 143 TYR HA H 1 4.907 0.009 . 1 . . . . . 137 TYR HA . 17610 1 1683 . 1 1 143 143 TYR HB2 H 1 3.131 0.008 . 2 . . . . . 137 TYR HB2 . 17610 1 1684 . 1 1 143 143 TYR HB3 H 1 3.252 0.004 . 2 . . . . . 137 TYR HB3 . 17610 1 1685 . 1 1 143 143 TYR HD1 H 1 6.800 0.012 . 3 . . . . . 137 TYR HD . 17610 1 1686 . 1 1 143 143 TYR HD2 H 1 6.800 0.012 . 3 . . . . . 137 TYR HD . 17610 1 1687 . 1 1 143 143 TYR HE1 H 1 6.648 0.008 . 3 . . . . . 137 TYR HE . 17610 1 1688 . 1 1 143 143 TYR HE2 H 1 6.648 0.008 . 3 . . . . . 137 TYR HE . 17610 1 1689 . 1 1 143 143 TYR C C 13 176.279 0.000 . 1 . . . . . 137 TYR C . 17610 1 1690 . 1 1 143 143 TYR CA C 13 54.737 0.057 . 1 . . . . . 137 TYR CA . 17610 1 1691 . 1 1 143 143 TYR CB C 13 38.830 0.151 . 1 . . . . . 137 TYR CB . 17610 1 1692 . 1 1 143 143 TYR CD1 C 13 130.270 0.000 . 3 . . . . . 137 TYR CD . 17610 1 1693 . 1 1 143 143 TYR CD2 C 13 130.270 0.000 . 3 . . . . . 137 TYR CD . 17610 1 1694 . 1 1 143 143 TYR CE1 C 13 118.028 0.056 . 3 . . . . . 137 TYR CE . 17610 1 1695 . 1 1 143 143 TYR CE2 C 13 118.028 0.056 . 3 . . . . . 137 TYR CE . 17610 1 1696 . 1 1 143 143 TYR N N 15 121.309 0.109 . 1 . . . . . 137 TYR N . 17610 1 1697 . 1 1 144 144 GLY H H 1 8.328 0.006 . 1 . . . . . 138 GLY H . 17610 1 1698 . 1 1 144 144 GLY HA2 H 1 4.010 0.009 . 2 . . . . . 138 GLY HA2 . 17610 1 1699 . 1 1 144 144 GLY HA3 H 1 4.179 0.005 . 2 . . . . . 138 GLY HA3 . 17610 1 1700 . 1 1 144 144 GLY C C 13 175.077 0.000 . 1 . . . . . 138 GLY C . 17610 1 1701 . 1 1 144 144 GLY CA C 13 46.439 0.172 . 1 . . . . . 138 GLY CA . 17610 1 1702 . 1 1 144 144 GLY N N 15 112.193 0.056 . 1 . . . . . 138 GLY N . 17610 1 1703 . 1 1 145 145 ILE H H 1 8.059 0.010 . 1 . . . . . 139 ILE H . 17610 1 1704 . 1 1 145 145 ILE HA H 1 5.241 0.005 . 1 . . . . . 139 ILE HA . 17610 1 1705 . 1 1 145 145 ILE HB H 1 2.458 0.006 . 1 . . . . . 139 ILE HB . 17610 1 1706 . 1 1 145 145 ILE HG12 H 1 1.409 0.009 . 2 . . . . . 139 ILE HG12 . 17610 1 1707 . 1 1 145 145 ILE HG13 H 1 1.692 0.011 . 2 . . . . . 139 ILE HG13 . 17610 1 1708 . 1 1 145 145 ILE HG21 H 1 0.963 0.007 . 1 . . . . . 139 ILE HG2 . 17610 1 1709 . 1 1 145 145 ILE HG22 H 1 0.963 0.007 . 1 . . . . . 139 ILE HG2 . 17610 1 1710 . 1 1 145 145 ILE HG23 H 1 0.963 0.007 . 1 . . . . . 139 ILE HG2 . 17610 1 1711 . 1 1 145 145 ILE HD11 H 1 0.879 0.005 . 1 . . . . . 139 ILE HD1 . 17610 1 1712 . 1 1 145 145 ILE HD12 H 1 0.879 0.005 . 1 . . . . . 139 ILE HD1 . 17610 1 1713 . 1 1 145 145 ILE HD13 H 1 0.879 0.005 . 1 . . . . . 139 ILE HD1 . 17610 1 1714 . 1 1 145 145 ILE CA C 13 58.420 0.047 . 1 . . . . . 139 ILE CA . 17610 1 1715 . 1 1 145 145 ILE CB C 13 38.543 0.111 . 1 . . . . . 139 ILE CB . 17610 1 1716 . 1 1 145 145 ILE CG1 C 13 23.637 0.120 . 1 . . . . . 139 ILE CG1 . 17610 1 1717 . 1 1 145 145 ILE CG2 C 13 17.888 0.102 . 1 . . . . . 139 ILE CG2 . 17610 1 1718 . 1 1 145 145 ILE CD1 C 13 15.171 0.042 . 1 . . . . . 139 ILE CD1 . 17610 1 1719 . 1 1 145 145 ILE N N 15 114.227 0.041 . 1 . . . . . 139 ILE N . 17610 1 1720 . 1 1 146 146 PRO HA H 1 4.627 0.004 . 1 . . . . . 140 PRO HA . 17610 1 1721 . 1 1 146 146 PRO HB2 H 1 1.671 0.008 . 2 . . . . . 140 PRO HB2 . 17610 1 1722 . 1 1 146 146 PRO HB3 H 1 2.519 0.006 . 2 . . . . . 140 PRO HB3 . 17610 1 1723 . 1 1 146 146 PRO HG2 H 1 1.784 0.003 . 2 . . . . . 140 PRO HG2 . 17610 1 1724 . 1 1 146 146 PRO HG3 H 1 1.960 0.006 . 2 . . . . . 140 PRO HG3 . 17610 1 1725 . 1 1 146 146 PRO HD2 H 1 3.972 0.003 . 2 . . . . . 140 PRO HD2 . 17610 1 1726 . 1 1 146 146 PRO HD3 H 1 4.034 0.010 . 2 . . . . . 140 PRO HD3 . 17610 1 1727 . 1 1 146 146 PRO C C 13 174.570 0.000 . 1 . . . . . 140 PRO C . 17610 1 1728 . 1 1 146 146 PRO CA C 13 62.362 0.077 . 1 . . . . . 140 PRO CA . 17610 1 1729 . 1 1 146 146 PRO CB C 13 33.057 0.099 . 1 . . . . . 140 PRO CB . 17610 1 1730 . 1 1 146 146 PRO CG C 13 27.973 0.085 . 1 . . . . . 140 PRO CG . 17610 1 1731 . 1 1 146 146 PRO CD C 13 50.832 0.081 . 1 . . . . . 140 PRO CD . 17610 1 1732 . 1 1 147 147 TYR H H 1 8.252 0.005 . 1 . . . . . 141 TYR H . 17610 1 1733 . 1 1 147 147 TYR HA H 1 5.997 0.004 . 1 . . . . . 141 TYR HA . 17610 1 1734 . 1 1 147 147 TYR HB2 H 1 2.745 0.005 . 2 . . . . . 141 TYR HB2 . 17610 1 1735 . 1 1 147 147 TYR HB3 H 1 2.905 0.004 . 2 . . . . . 141 TYR HB3 . 17610 1 1736 . 1 1 147 147 TYR HD1 H 1 6.987 0.014 . 3 . . . . . 141 TYR HD . 17610 1 1737 . 1 1 147 147 TYR HD2 H 1 6.987 0.014 . 3 . . . . . 141 TYR HD . 17610 1 1738 . 1 1 147 147 TYR HE1 H 1 6.768 0.014 . 3 . . . . . 141 TYR HE . 17610 1 1739 . 1 1 147 147 TYR HE2 H 1 6.768 0.014 . 3 . . . . . 141 TYR HE . 17610 1 1740 . 1 1 147 147 TYR C C 13 174.492 0.000 . 1 . . . . . 141 TYR C . 17610 1 1741 . 1 1 147 147 TYR CA C 13 54.912 0.071 . 1 . . . . . 141 TYR CA . 17610 1 1742 . 1 1 147 147 TYR CB C 13 40.972 0.214 . 1 . . . . . 141 TYR CB . 17610 1 1743 . 1 1 147 147 TYR CD1 C 13 132.372 0.078 . 3 . . . . . 141 TYR CD . 17610 1 1744 . 1 1 147 147 TYR CD2 C 13 132.372 0.078 . 3 . . . . . 141 TYR CD . 17610 1 1745 . 1 1 147 147 TYR CE1 C 13 119.203 0.065 . 3 . . . . . 141 TYR CE . 17610 1 1746 . 1 1 147 147 TYR CE2 C 13 119.203 0.065 . 3 . . . . . 141 TYR CE . 17610 1 1747 . 1 1 147 147 TYR N N 15 121.135 0.077 . 1 . . . . . 141 TYR N . 17610 1 1748 . 1 1 148 148 ILE H H 1 8.495 0.005 . 1 . . . . . 142 ILE H . 17610 1 1749 . 1 1 148 148 ILE HA H 1 3.948 0.003 . 1 . . . . . 142 ILE HA . 17610 1 1750 . 1 1 148 148 ILE HB H 1 1.318 0.005 . 1 . . . . . 142 ILE HB . 17610 1 1751 . 1 1 148 148 ILE HG12 H 1 1.056 0.007 . 2 . . . . . 142 ILE HG12 . 17610 1 1752 . 1 1 148 148 ILE HG13 H 1 1.245 0.004 . 2 . . . . . 142 ILE HG13 . 17610 1 1753 . 1 1 148 148 ILE HG21 H 1 0.685 0.006 . 1 . . . . . 142 ILE HG2 . 17610 1 1754 . 1 1 148 148 ILE HG22 H 1 0.685 0.006 . 1 . . . . . 142 ILE HG2 . 17610 1 1755 . 1 1 148 148 ILE HG23 H 1 0.685 0.006 . 1 . . . . . 142 ILE HG2 . 17610 1 1756 . 1 1 148 148 ILE HD11 H 1 0.725 0.007 . 1 . . . . . 142 ILE HD1 . 17610 1 1757 . 1 1 148 148 ILE HD12 H 1 0.725 0.007 . 1 . . . . . 142 ILE HD1 . 17610 1 1758 . 1 1 148 148 ILE HD13 H 1 0.725 0.007 . 1 . . . . . 142 ILE HD1 . 17610 1 1759 . 1 1 148 148 ILE C C 13 172.977 0.000 . 1 . . . . . 142 ILE C . 17610 1 1760 . 1 1 148 148 ILE CA C 13 59.383 0.043 . 1 . . . . . 142 ILE CA . 17610 1 1761 . 1 1 148 148 ILE CB C 13 42.260 0.191 . 1 . . . . . 142 ILE CB . 17610 1 1762 . 1 1 148 148 ILE CG1 C 13 28.490 0.081 . 1 . . . . . 142 ILE CG1 . 17610 1 1763 . 1 1 148 148 ILE CG2 C 13 17.780 0.059 . 1 . . . . . 142 ILE CG2 . 17610 1 1764 . 1 1 148 148 ILE CD1 C 13 13.742 0.054 . 1 . . . . . 142 ILE CD1 . 17610 1 1765 . 1 1 148 148 ILE N N 15 131.362 0.057 . 1 . . . . . 142 ILE N . 17610 1 1766 . 1 1 149 149 GLU H H 1 7.827 0.004 . 1 . . . . . 143 GLU H . 17610 1 1767 . 1 1 149 149 GLU HA H 1 4.788 0.000 . 1 . . . . . 143 GLU HA . 17610 1 1768 . 1 1 149 149 GLU HB2 H 1 1.650 0.006 . 2 . . . . . 143 GLU HB2 . 17610 1 1769 . 1 1 149 149 GLU HB3 H 1 2.058 0.000 . 2 . . . . . 143 GLU HB3 . 17610 1 1770 . 1 1 149 149 GLU HG2 H 1 2.275 0.007 . 2 . . . . . 143 GLU HG2 . 17610 1 1771 . 1 1 149 149 GLU HG3 H 1 2.371 0.009 . 2 . . . . . 143 GLU HG3 . 17610 1 1772 . 1 1 149 149 GLU C C 13 176.128 0.000 . 1 . . . . . 143 GLU C . 17610 1 1773 . 1 1 149 149 GLU CA C 13 55.647 0.005 . 1 . . . . . 143 GLU CA . 17610 1 1774 . 1 1 149 149 GLU CB C 13 29.727 0.096 . 1 . . . . . 143 GLU CB . 17610 1 1775 . 1 1 149 149 GLU CG C 13 36.607 0.106 . 1 . . . . . 143 GLU CG . 17610 1 1776 . 1 1 149 149 GLU N N 15 125.874 0.133 . 1 . . . . . 143 GLU N . 17610 1 1777 . 1 1 150 150 THR H H 1 8.800 0.007 . 1 . . . . . 144 THR H . 17610 1 1778 . 1 1 150 150 THR HA H 1 5.081 0.005 . 1 . . . . . 144 THR HA . 17610 1 1779 . 1 1 150 150 THR HB H 1 3.903 0.005 . 1 . . . . . 144 THR HB . 17610 1 1780 . 1 1 150 150 THR HG21 H 1 0.660 0.005 . 2 . . . . . 144 THR HG2 . 17610 1 1781 . 1 1 150 150 THR HG22 H 1 0.660 0.005 . 2 . . . . . 144 THR HG2 . 17610 1 1782 . 1 1 150 150 THR HG23 H 1 0.660 0.005 . 2 . . . . . 144 THR HG2 . 17610 1 1783 . 1 1 150 150 THR C C 13 176.136 0.000 . 1 . . . . . 144 THR C . 17610 1 1784 . 1 1 150 150 THR CA C 13 59.464 0.100 . 1 . . . . . 144 THR CA . 17610 1 1785 . 1 1 150 150 THR CB C 13 73.639 0.068 . 1 . . . . . 144 THR CB . 17610 1 1786 . 1 1 150 150 THR CG2 C 13 22.121 0.035 . 1 . . . . . 144 THR CG2 . 17610 1 1787 . 1 1 150 150 THR N N 15 113.629 0.057 . 1 . . . . . 144 THR N . 17610 1 1788 . 1 1 151 151 SER H H 1 8.807 0.007 . 1 . . . . . 145 SER H . 17610 1 1789 . 1 1 151 151 SER HA H 1 4.883 0.005 . 1 . . . . . 145 SER HA . 17610 1 1790 . 1 1 151 151 SER HB2 H 1 3.989 0.004 . 2 . . . . . 145 SER HB2 . 17610 1 1791 . 1 1 151 151 SER HB3 H 1 4.058 0.008 . 2 . . . . . 145 SER HB3 . 17610 1 1792 . 1 1 151 151 SER C C 13 175.707 0.000 . 1 . . . . . 145 SER C . 17610 1 1793 . 1 1 151 151 SER CA C 13 57.438 0.144 . 1 . . . . . 145 SER CA . 17610 1 1794 . 1 1 151 151 SER CB C 13 64.470 0.156 . 1 . . . . . 145 SER CB . 17610 1 1795 . 1 1 151 151 SER N N 15 113.706 0.082 . 1 . . . . . 145 SER N . 17610 1 1796 . 1 1 152 152 ALA H H 1 9.134 0.006 . 1 . . . . . 146 ALA H . 17610 1 1797 . 1 1 152 152 ALA HA H 1 3.890 0.007 . 1 . . . . . 146 ALA HA . 17610 1 1798 . 1 1 152 152 ALA HB1 H 1 1.579 0.005 . 1 . . . . . 146 ALA HB . 17610 1 1799 . 1 1 152 152 ALA HB2 H 1 1.579 0.005 . 1 . . . . . 146 ALA HB . 17610 1 1800 . 1 1 152 152 ALA HB3 H 1 1.579 0.005 . 1 . . . . . 146 ALA HB . 17610 1 1801 . 1 1 152 152 ALA C C 13 175.632 0.000 . 1 . . . . . 146 ALA C . 17610 1 1802 . 1 1 152 152 ALA CA C 13 54.416 0.077 . 1 . . . . . 146 ALA CA . 17610 1 1803 . 1 1 152 152 ALA CB C 13 18.605 0.044 . 1 . . . . . 146 ALA CB . 17610 1 1804 . 1 1 152 152 ALA N N 15 133.500 8.269 . 1 . . . . . 146 ALA N . 17610 1 1805 . 1 1 153 153 LYS H H 1 7.042 0.006 . 1 . . . . . 147 LYS H . 17610 1 1806 . 1 1 153 153 LYS HA H 1 2.616 0.005 . 1 . . . . . 147 LYS HA . 17610 1 1807 . 1 1 153 153 LYS HB2 H 1 0.332 0.008 . 2 . . . . . 147 LYS HB2 . 17610 1 1808 . 1 1 153 153 LYS HB3 H 1 1.043 0.007 . 2 . . . . . 147 LYS HB3 . 17610 1 1809 . 1 1 153 153 LYS HG2 H 1 0.433 0.005 . 2 . . . . . 147 LYS HG2 . 17610 1 1810 . 1 1 153 153 LYS HG3 H 1 0.657 0.007 . 2 . . . . . 147 LYS HG3 . 17610 1 1811 . 1 1 153 153 LYS HD2 H 1 1.200 0.006 . 2 . . . . . 147 LYS HD2 . 17610 1 1812 . 1 1 153 153 LYS HD3 H 1 1.335 0.004 . 2 . . . . . 147 LYS HD3 . 17610 1 1813 . 1 1 153 153 LYS HE2 H 1 2.740 0.003 . 2 . . . . . 147 LYS HE2 . 17610 1 1814 . 1 1 153 153 LYS HE3 H 1 2.788 0.001 . 2 . . . . . 147 LYS HE3 . 17610 1 1815 . 1 1 153 153 LYS C C 13 177.045 0.000 . 1 . . . . . 147 LYS C . 17610 1 1816 . 1 1 153 153 LYS CA C 13 58.119 0.073 . 1 . . . . . 147 LYS CA . 17610 1 1817 . 1 1 153 153 LYS CB C 13 33.956 0.102 . 1 . . . . . 147 LYS CB . 17610 1 1818 . 1 1 153 153 LYS CG C 13 24.766 0.050 . 1 . . . . . 147 LYS CG . 17610 1 1819 . 1 1 153 153 LYS CD C 13 29.670 0.170 . 1 . . . . . 147 LYS CD . 17610 1 1820 . 1 1 153 153 LYS CE C 13 41.837 0.000 . 1 . . . . . 147 LYS CE . 17610 1 1821 . 1 1 153 153 LYS N N 15 117.223 0.057 . 1 . . . . . 147 LYS N . 17610 1 1822 . 1 1 154 154 THR H H 1 7.721 0.006 . 1 . . . . . 148 THR H . 17610 1 1823 . 1 1 154 154 THR HA H 1 4.157 0.005 . 1 . . . . . 148 THR HA . 17610 1 1824 . 1 1 154 154 THR HB H 1 4.442 0.005 . 1 . . . . . 148 THR HB . 17610 1 1825 . 1 1 154 154 THR HG21 H 1 1.054 0.005 . 2 . . . . . 148 THR HG2 . 17610 1 1826 . 1 1 154 154 THR HG22 H 1 1.054 0.005 . 2 . . . . . 148 THR HG2 . 17610 1 1827 . 1 1 154 154 THR HG23 H 1 1.054 0.005 . 2 . . . . . 148 THR HG2 . 17610 1 1828 . 1 1 154 154 THR C C 13 175.979 0.000 . 1 . . . . . 148 THR C . 17610 1 1829 . 1 1 154 154 THR CA C 13 61.489 0.124 . 1 . . . . . 148 THR CA . 17610 1 1830 . 1 1 154 154 THR CB C 13 69.911 0.096 . 1 . . . . . 148 THR CB . 17610 1 1831 . 1 1 154 154 THR CG2 C 13 21.148 0.119 . 1 . . . . . 148 THR CG2 . 17610 1 1832 . 1 1 154 154 THR N N 15 107.404 0.075 . 1 . . . . . 148 THR N . 17610 1 1833 . 1 1 155 155 ARG H H 1 7.814 0.007 . 1 . . . . . 149 ARG H . 17610 1 1834 . 1 1 155 155 ARG HA H 1 3.476 0.005 . 1 . . . . . 149 ARG HA . 17610 1 1835 . 1 1 155 155 ARG HB2 H 1 1.796 0.005 . 2 . . . . . 149 ARG HB2 . 17610 1 1836 . 1 1 155 155 ARG HB3 H 1 2.249 0.004 . 2 . . . . . 149 ARG HB3 . 17610 1 1837 . 1 1 155 155 ARG HG2 H 1 1.218 0.004 . 2 . . . . . 149 ARG HG2 . 17610 1 1838 . 1 1 155 155 ARG HG3 H 1 1.795 0.003 . 2 . . . . . 149 ARG HG3 . 17610 1 1839 . 1 1 155 155 ARG HD2 H 1 3.106 0.005 . 2 . . . . . 149 ARG HD2 . 17610 1 1840 . 1 1 155 155 ARG HD3 H 1 3.151 0.000 . 2 . . . . . 149 ARG HD3 . 17610 1 1841 . 1 1 155 155 ARG HE H 1 6.898 0.011 . 1 . . . . . 149 ARG HE . 17610 1 1842 . 1 1 155 155 ARG C C 13 175.481 0.000 . 1 . . . . . 149 ARG C . 17610 1 1843 . 1 1 155 155 ARG CA C 13 59.653 0.071 . 1 . . . . . 149 ARG CA . 17610 1 1844 . 1 1 155 155 ARG CB C 13 30.445 0.083 . 1 . . . . . 149 ARG CB . 17610 1 1845 . 1 1 155 155 ARG CG C 13 31.921 0.049 . 1 . . . . . 149 ARG CG . 17610 1 1846 . 1 1 155 155 ARG CD C 13 43.429 0.115 . 1 . . . . . 149 ARG CD . 17610 1 1847 . 1 1 155 155 ARG N N 15 119.268 0.030 . 1 . . . . . 149 ARG N . 17610 1 1848 . 1 1 155 155 ARG NE N 15 85.887 0.019 . 1 . . . . . 149 ARG NE . 17610 1 1849 . 1 1 156 156 GLN H H 1 7.833 0.004 . 1 . . . . . 150 GLN H . 17610 1 1850 . 1 1 156 156 GLN HA H 1 4.065 0.003 . 1 . . . . . 150 GLN HA . 17610 1 1851 . 1 1 156 156 GLN HB2 H 1 1.587 0.006 . 2 . . . . . 150 GLN HB2 . 17610 1 1852 . 1 1 156 156 GLN HB3 H 1 1.986 0.006 . 2 . . . . . 150 GLN HB3 . 17610 1 1853 . 1 1 156 156 GLN HG2 H 1 2.105 0.006 . 2 . . . . . 150 GLN HG2 . 17610 1 1854 . 1 1 156 156 GLN HG3 H 1 2.299 0.007 . 2 . . . . . 150 GLN HG3 . 17610 1 1855 . 1 1 156 156 GLN HE21 H 1 6.844 0.003 . 2 . . . . . 150 GLN HE21 . 17610 1 1856 . 1 1 156 156 GLN HE22 H 1 7.396 0.006 . 2 . . . . . 150 GLN HE22 . 17610 1 1857 . 1 1 156 156 GLN C C 13 177.007 0.000 . 1 . . . . . 150 GLN C . 17610 1 1858 . 1 1 156 156 GLN CA C 13 57.433 0.123 . 1 . . . . . 150 GLN CA . 17610 1 1859 . 1 1 156 156 GLN CB C 13 28.472 0.041 . 1 . . . . . 150 GLN CB . 17610 1 1860 . 1 1 156 156 GLN CG C 13 32.689 0.091 . 1 . . . . . 150 GLN CG . 17610 1 1861 . 1 1 156 156 GLN N N 15 125.391 0.139 . 1 . . . . . 150 GLN N . 17610 1 1862 . 1 1 156 156 GLN NE2 N 15 113.603 0.092 . 1 . . . . . 150 GLN NE2 . 17610 1 1863 . 1 1 157 157 GLY H H 1 8.936 0.002 . 1 . . . . . 151 GLY H . 17610 1 1864 . 1 1 157 157 GLY HA2 H 1 3.820 0.007 . 2 . . . . . 151 GLY HA2 . 17610 1 1865 . 1 1 157 157 GLY HA3 H 1 4.126 0.012 . 2 . . . . . 151 GLY HA3 . 17610 1 1866 . 1 1 157 157 GLY C C 13 173.581 0.000 . 1 . . . . . 151 GLY C . 17610 1 1867 . 1 1 157 157 GLY CA C 13 46.945 0.067 . 1 . . . . . 151 GLY CA . 17610 1 1868 . 1 1 157 157 GLY N N 15 116.380 0.070 . 1 . . . . . 151 GLY N . 17610 1 1869 . 1 1 158 158 VAL H H 1 7.099 0.005 . 1 . . . . . 152 VAL H . 17610 1 1870 . 1 1 158 158 VAL HA H 1 3.221 0.003 . 1 . . . . . 152 VAL HA . 17610 1 1871 . 1 1 158 158 VAL HB H 1 1.827 0.005 . 1 . . . . . 152 VAL HB . 17610 1 1872 . 1 1 158 158 VAL HG11 H 1 0.792 0.008 . 2 . . . . . 152 VAL HG1 . 17610 1 1873 . 1 1 158 158 VAL HG12 H 1 0.792 0.008 . 2 . . . . . 152 VAL HG1 . 17610 1 1874 . 1 1 158 158 VAL HG13 H 1 0.792 0.008 . 2 . . . . . 152 VAL HG1 . 17610 1 1875 . 1 1 158 158 VAL HG21 H 1 0.938 0.005 . 2 . . . . . 152 VAL HG2 . 17610 1 1876 . 1 1 158 158 VAL HG22 H 1 0.938 0.005 . 2 . . . . . 152 VAL HG2 . 17610 1 1877 . 1 1 158 158 VAL HG23 H 1 0.938 0.005 . 2 . . . . . 152 VAL HG2 . 17610 1 1878 . 1 1 158 158 VAL C C 13 177.006 0.000 . 1 . . . . . 152 VAL C . 17610 1 1879 . 1 1 158 158 VAL CA C 13 68.314 0.089 . 1 . . . . . 152 VAL CA . 17610 1 1880 . 1 1 158 158 VAL CB C 13 31.473 0.184 . 1 . . . . . 152 VAL CB . 17610 1 1881 . 1 1 158 158 VAL CG1 C 13 24.346 0.196 . 2 . . . . . 152 VAL CG1 . 17610 1 1882 . 1 1 158 158 VAL CG2 C 13 21.085 0.142 . 2 . . . . . 152 VAL CG2 . 17610 1 1883 . 1 1 158 158 VAL N N 15 121.822 0.095 . 1 . . . . . 152 VAL N . 17610 1 1884 . 1 1 159 159 GLU H H 1 8.271 0.008 . 1 . . . . . 153 GLU H . 17610 1 1885 . 1 1 159 159 GLU HA H 1 3.305 0.005 . 1 . . . . . 153 GLU HA . 17610 1 1886 . 1 1 159 159 GLU HB2 H 1 1.370 0.004 . 2 . . . . . 153 GLU HB2 . 17610 1 1887 . 1 1 159 159 GLU HB3 H 1 1.646 0.003 . 2 . . . . . 153 GLU HB3 . 17610 1 1888 . 1 1 159 159 GLU HG2 H 1 1.723 0.003 . 2 . . . . . 153 GLU HG2 . 17610 1 1889 . 1 1 159 159 GLU HG3 H 1 1.920 0.004 . 2 . . . . . 153 GLU HG3 . 17610 1 1890 . 1 1 159 159 GLU C C 13 177.163 0.000 . 1 . . . . . 153 GLU C . 17610 1 1891 . 1 1 159 159 GLU CA C 13 60.407 0.050 . 1 . . . . . 153 GLU CA . 17610 1 1892 . 1 1 159 159 GLU CB C 13 28.787 0.059 . 1 . . . . . 153 GLU CB . 17610 1 1893 . 1 1 159 159 GLU CG C 13 37.583 0.091 . 1 . . . . . 153 GLU CG . 17610 1 1894 . 1 1 159 159 GLU N N 15 118.087 0.076 . 1 . . . . . 153 GLU N . 17610 1 1895 . 1 1 160 160 ASP H H 1 8.145 0.008 . 1 . . . . . 154 ASP H . 17610 1 1896 . 1 1 160 160 ASP HA H 1 4.205 0.004 . 1 . . . . . 154 ASP HA . 17610 1 1897 . 1 1 160 160 ASP HB2 H 1 2.457 0.005 . 2 . . . . . 154 ASP HB2 . 17610 1 1898 . 1 1 160 160 ASP HB3 H 1 2.546 0.010 . 2 . . . . . 154 ASP HB3 . 17610 1 1899 . 1 1 160 160 ASP C C 13 179.366 0.000 . 1 . . . . . 154 ASP C . 17610 1 1900 . 1 1 160 160 ASP CA C 13 57.288 0.054 . 1 . . . . . 154 ASP CA . 17610 1 1901 . 1 1 160 160 ASP CB C 13 40.040 0.100 . 1 . . . . . 154 ASP CB . 17610 1 1902 . 1 1 160 160 ASP N N 15 117.624 0.040 . 1 . . . . . 154 ASP N . 17610 1 1903 . 1 1 161 161 ALA H H 1 8.603 0.004 . 1 . . . . . 155 ALA H . 17610 1 1904 . 1 1 161 161 ALA HA H 1 3.749 0.005 . 1 . . . . . 155 ALA HA . 17610 1 1905 . 1 1 161 161 ALA HB1 H 1 1.105 0.004 . 1 . . . . . 155 ALA HB . 17610 1 1906 . 1 1 161 161 ALA HB2 H 1 1.105 0.004 . 1 . . . . . 155 ALA HB . 17610 1 1907 . 1 1 161 161 ALA HB3 H 1 1.105 0.004 . 1 . . . . . 155 ALA HB . 17610 1 1908 . 1 1 161 161 ALA C C 13 177.684 0.000 . 1 . . . . . 155 ALA C . 17610 1 1909 . 1 1 161 161 ALA CA C 13 56.295 0.062 . 1 . . . . . 155 ALA CA . 17610 1 1910 . 1 1 161 161 ALA CB C 13 17.397 0.106 . 1 . . . . . 155 ALA CB . 17610 1 1911 . 1 1 161 161 ALA N N 15 125.270 0.045 . 1 . . . . . 155 ALA N . 17610 1 1912 . 1 1 162 162 PHE H H 1 7.236 0.008 . 1 . . . . . 156 PHE H . 17610 1 1913 . 1 1 162 162 PHE HA H 1 3.912 0.006 . 1 . . . . . 156 PHE HA . 17610 1 1914 . 1 1 162 162 PHE HB2 H 1 2.670 0.007 . 2 . . . . . 156 PHE HB2 . 17610 1 1915 . 1 1 162 162 PHE HB3 H 1 2.785 0.011 . 2 . . . . . 156 PHE HB3 . 17610 1 1916 . 1 1 162 162 PHE HD1 H 1 7.346 0.006 . 3 . . . . . 156 PHE HD . 17610 1 1917 . 1 1 162 162 PHE HD2 H 1 7.346 0.006 . 3 . . . . . 156 PHE HD . 17610 1 1918 . 1 1 162 162 PHE HE1 H 1 6.955 0.009 . 3 . . . . . 156 PHE HE . 17610 1 1919 . 1 1 162 162 PHE HE2 H 1 6.955 0.009 . 3 . . . . . 156 PHE HE . 17610 1 1920 . 1 1 162 162 PHE HZ H 1 6.989 0.014 . 1 . . . . . 156 PHE HZ . 17610 1 1921 . 1 1 162 162 PHE C C 13 177.975 0.000 . 1 . . . . . 156 PHE C . 17610 1 1922 . 1 1 162 162 PHE CA C 13 62.851 0.078 . 1 . . . . . 156 PHE CA . 17610 1 1923 . 1 1 162 162 PHE CB C 13 39.472 0.166 . 1 . . . . . 156 PHE CB . 17610 1 1924 . 1 1 162 162 PHE CD1 C 13 131.915 0.002 . 3 . . . . . 156 PHE CD . 17610 1 1925 . 1 1 162 162 PHE CD2 C 13 131.915 0.002 . 3 . . . . . 156 PHE CD . 17610 1 1926 . 1 1 162 162 PHE CE1 C 13 130.794 0.094 . 3 . . . . . 156 PHE CE . 17610 1 1927 . 1 1 162 162 PHE CE2 C 13 130.794 0.094 . 3 . . . . . 156 PHE CE . 17610 1 1928 . 1 1 162 162 PHE N N 15 113.772 0.072 . 1 . . . . . 156 PHE N . 17610 1 1929 . 1 1 163 163 TYR H H 1 9.573 0.004 . 1 . . . . . 157 TYR H . 17610 1 1930 . 1 1 163 163 TYR HA H 1 4.355 0.007 . 1 . . . . . 157 TYR HA . 17610 1 1931 . 1 1 163 163 TYR HB2 H 1 2.931 0.007 . 2 . . . . . 157 TYR HB2 . 17610 1 1932 . 1 1 163 163 TYR HB3 H 1 3.327 0.013 . 2 . . . . . 157 TYR HB3 . 17610 1 1933 . 1 1 163 163 TYR HD1 H 1 6.878 0.009 . 3 . . . . . 157 TYR HD . 17610 1 1934 . 1 1 163 163 TYR HD2 H 1 6.878 0.009 . 3 . . . . . 157 TYR HD . 17610 1 1935 . 1 1 163 163 TYR HE1 H 1 6.644 0.008 . 3 . . . . . 157 TYR HE . 17610 1 1936 . 1 1 163 163 TYR HE2 H 1 6.644 0.008 . 3 . . . . . 157 TYR HE . 17610 1 1937 . 1 1 163 163 TYR C C 13 179.097 0.000 . 1 . . . . . 157 TYR C . 17610 1 1938 . 1 1 163 163 TYR CA C 13 58.309 0.135 . 1 . . . . . 157 TYR CA . 17610 1 1939 . 1 1 163 163 TYR CB C 13 35.012 0.083 . 1 . . . . . 157 TYR CB . 17610 1 1940 . 1 1 163 163 TYR CD1 C 13 130.722 0.000 . 3 . . . . . 157 TYR CD . 17610 1 1941 . 1 1 163 163 TYR CD2 C 13 130.722 0.000 . 3 . . . . . 157 TYR CD . 17610 1 1942 . 1 1 163 163 TYR CE1 C 13 117.463 0.104 . 3 . . . . . 157 TYR CE . 17610 1 1943 . 1 1 163 163 TYR CE2 C 13 117.463 0.104 . 3 . . . . . 157 TYR CE . 17610 1 1944 . 1 1 163 163 TYR N N 15 120.499 0.057 . 1 . . . . . 157 TYR N . 17610 1 1945 . 1 1 164 164 THR H H 1 8.538 0.006 . 1 . . . . . 158 THR H . 17610 1 1946 . 1 1 164 164 THR HA H 1 3.903 0.003 . 1 . . . . . 158 THR HA . 17610 1 1947 . 1 1 164 164 THR HB H 1 4.226 0.006 . 1 . . . . . 158 THR HB . 17610 1 1948 . 1 1 164 164 THR HG21 H 1 1.201 0.001 . 2 . . . . . 158 THR HG2 . 17610 1 1949 . 1 1 164 164 THR HG22 H 1 1.201 0.001 . 2 . . . . . 158 THR HG2 . 17610 1 1950 . 1 1 164 164 THR HG23 H 1 1.201 0.001 . 2 . . . . . 158 THR HG2 . 17610 1 1951 . 1 1 164 164 THR C C 13 175.656 0.000 . 1 . . . . . 158 THR C . 17610 1 1952 . 1 1 164 164 THR CA C 13 67.484 0.069 . 1 . . . . . 158 THR CA . 17610 1 1953 . 1 1 164 164 THR CB C 13 67.819 0.102 . 1 . . . . . 158 THR CB . 17610 1 1954 . 1 1 164 164 THR CG2 C 13 21.382 0.090 . 1 . . . . . 158 THR CG2 . 17610 1 1955 . 1 1 164 164 THR N N 15 118.206 0.059 . 1 . . . . . 158 THR N . 17610 1 1956 . 1 1 165 165 LEU H H 1 7.232 0.006 . 1 . . . . . 159 LEU H . 17610 1 1957 . 1 1 165 165 LEU HA H 1 3.871 0.009 . 1 . . . . . 159 LEU HA . 17610 1 1958 . 1 1 165 165 LEU HB2 H 1 1.274 0.007 . 2 . . . . . 159 LEU HB2 . 17610 1 1959 . 1 1 165 165 LEU HB3 H 1 2.146 0.007 . 2 . . . . . 159 LEU HB3 . 17610 1 1960 . 1 1 165 165 LEU HG H 1 1.375 0.005 . 1 . . . . . 159 LEU HG . 17610 1 1961 . 1 1 165 165 LEU HD11 H 1 0.695 0.005 . 2 . . . . . 159 LEU HD1 . 17610 1 1962 . 1 1 165 165 LEU HD12 H 1 0.695 0.005 . 2 . . . . . 159 LEU HD1 . 17610 1 1963 . 1 1 165 165 LEU HD13 H 1 0.695 0.005 . 2 . . . . . 159 LEU HD1 . 17610 1 1964 . 1 1 165 165 LEU HD21 H 1 0.815 0.008 . 2 . . . . . 159 LEU HD2 . 17610 1 1965 . 1 1 165 165 LEU HD22 H 1 0.815 0.008 . 2 . . . . . 159 LEU HD2 . 17610 1 1966 . 1 1 165 165 LEU HD23 H 1 0.815 0.008 . 2 . . . . . 159 LEU HD2 . 17610 1 1967 . 1 1 165 165 LEU C C 13 177.513 0.000 . 1 . . . . . 159 LEU C . 17610 1 1968 . 1 1 165 165 LEU CA C 13 57.991 0.091 . 1 . . . . . 159 LEU CA . 17610 1 1969 . 1 1 165 165 LEU CB C 13 40.181 0.110 . 1 . . . . . 159 LEU CB . 17610 1 1970 . 1 1 165 165 LEU CD1 C 13 27.283 0.077 . 2 . . . . . 159 LEU CD1 . 17610 1 1971 . 1 1 165 165 LEU CD2 C 13 21.738 0.075 . 2 . . . . . 159 LEU CD2 . 17610 1 1972 . 1 1 165 165 LEU N N 15 122.864 0.047 . 1 . . . . . 159 LEU N . 17610 1 1973 . 1 1 166 166 VAL H H 1 7.517 0.002 . 1 . . . . . 160 VAL H . 17610 1 1974 . 1 1 166 166 VAL HA H 1 3.045 0.006 . 1 . . . . . 160 VAL HA . 17610 1 1975 . 1 1 166 166 VAL HB H 1 2.028 0.005 . 1 . . . . . 160 VAL HB . 17610 1 1976 . 1 1 166 166 VAL HG11 H 1 0.144 0.005 . 2 . . . . . 160 VAL HG1 . 17610 1 1977 . 1 1 166 166 VAL HG12 H 1 0.144 0.005 . 2 . . . . . 160 VAL HG1 . 17610 1 1978 . 1 1 166 166 VAL HG13 H 1 0.144 0.005 . 2 . . . . . 160 VAL HG1 . 17610 1 1979 . 1 1 166 166 VAL HG21 H 1 0.736 0.003 . 2 . . . . . 160 VAL HG2 . 17610 1 1980 . 1 1 166 166 VAL HG22 H 1 0.736 0.003 . 2 . . . . . 160 VAL HG2 . 17610 1 1981 . 1 1 166 166 VAL HG23 H 1 0.736 0.003 . 2 . . . . . 160 VAL HG2 . 17610 1 1982 . 1 1 166 166 VAL C C 13 177.474 0.000 . 1 . . . . . 160 VAL C . 17610 1 1983 . 1 1 166 166 VAL CA C 13 67.389 0.040 . 1 . . . . . 160 VAL CA . 17610 1 1984 . 1 1 166 166 VAL CB C 13 30.944 0.067 . 1 . . . . . 160 VAL CB . 17610 1 1985 . 1 1 166 166 VAL CG1 C 13 20.306 0.064 . 2 . . . . . 160 VAL CG1 . 17610 1 1986 . 1 1 166 166 VAL CG2 C 13 23.712 0.082 . 2 . . . . . 160 VAL CG2 . 17610 1 1987 . 1 1 166 166 VAL N N 15 120.322 0.061 . 1 . . . . . 160 VAL N . 17610 1 1988 . 1 1 167 167 ARG H H 1 8.044 0.005 . 1 . . . . . 161 ARG H . 17610 1 1989 . 1 1 167 167 ARG HA H 1 3.772 0.005 . 1 . . . . . 161 ARG HA . 17610 1 1990 . 1 1 167 167 ARG HB3 H 1 2.014 0.006 . 2 . . . . . 161 ARG HB3 . 17610 1 1991 . 1 1 167 167 ARG HG2 H 1 1.511 0.004 . 2 . . . . . 161 ARG HG2 . 17610 1 1992 . 1 1 167 167 ARG HG3 H 1 1.799 0.006 . 2 . . . . . 161 ARG HG3 . 17610 1 1993 . 1 1 167 167 ARG HD2 H 1 3.140 0.009 . 2 . . . . . 161 ARG HD . 17610 1 1994 . 1 1 167 167 ARG HD3 H 1 3.140 0.009 . 2 . . . . . 161 ARG HD . 17610 1 1995 . 1 1 167 167 ARG HE H 1 8.842 0.006 . 1 . . . . . 161 ARG HE . 17610 1 1996 . 1 1 167 167 ARG HH21 H 1 6.864 0.009 . 2 . . . . . 161 ARG HH2 . 17610 1 1997 . 1 1 167 167 ARG HH22 H 1 6.864 0.009 . 2 . . . . . 161 ARG HH2 . 17610 1 1998 . 1 1 167 167 ARG C C 13 179.030 0.000 . 1 . . . . . 161 ARG C . 17610 1 1999 . 1 1 167 167 ARG CA C 13 60.935 0.085 . 1 . . . . . 161 ARG CA . 17610 1 2000 . 1 1 167 167 ARG CB C 13 29.586 0.000 . 1 . . . . . 161 ARG CB . 17610 1 2001 . 1 1 167 167 ARG CG C 13 29.369 0.076 . 1 . . . . . 161 ARG CG . 17610 1 2002 . 1 1 167 167 ARG CD C 13 43.689 0.096 . 1 . . . . . 161 ARG CD . 17610 1 2003 . 1 1 167 167 ARG N N 15 120.151 0.045 . 1 . . . . . 161 ARG N . 17610 1 2004 . 1 1 167 167 ARG NE N 15 89.709 0.025 . 1 . . . . . 161 ARG NE . 17610 1 2005 . 1 1 168 168 GLU H H 1 8.171 0.007 . 1 . . . . . 162 GLU H . 17610 1 2006 . 1 1 168 168 GLU HA H 1 4.050 0.006 . 1 . . . . . 162 GLU HA . 17610 1 2007 . 1 1 168 168 GLU HB2 H 1 2.189 0.002 . 2 . . . . . 162 GLU HB2 . 17610 1 2008 . 1 1 168 168 GLU HB3 H 1 2.453 0.006 . 2 . . . . . 162 GLU HB3 . 17610 1 2009 . 1 1 168 168 GLU HG2 H 1 2.461 0.006 . 2 . . . . . 162 GLU HG . 17610 1 2010 . 1 1 168 168 GLU HG3 H 1 2.461 0.006 . 2 . . . . . 162 GLU HG . 17610 1 2011 . 1 1 168 168 GLU C C 13 179.805 0.000 . 1 . . . . . 162 GLU C . 17610 1 2012 . 1 1 168 168 GLU CA C 13 58.867 0.151 . 1 . . . . . 162 GLU CA . 17610 1 2013 . 1 1 168 168 GLU CB C 13 30.330 0.062 . 1 . . . . . 162 GLU CB . 17610 1 2014 . 1 1 168 168 GLU CG C 13 36.735 0.060 . 1 . . . . . 162 GLU CG . 17610 1 2015 . 1 1 168 168 GLU N N 15 119.201 0.085 . 1 . . . . . 162 GLU N . 17610 1 2016 . 1 1 169 169 ILE H H 1 8.174 0.006 . 1 . . . . . 163 ILE H . 17610 1 2017 . 1 1 169 169 ILE HA H 1 3.583 0.006 . 1 . . . . . 163 ILE HA . 17610 1 2018 . 1 1 169 169 ILE HB H 1 1.886 0.010 . 1 . . . . . 163 ILE HB . 17610 1 2019 . 1 1 169 169 ILE HG12 H 1 0.856 0.007 . 2 . . . . . 163 ILE HG12 . 17610 1 2020 . 1 1 169 169 ILE HG13 H 1 1.823 0.008 . 2 . . . . . 163 ILE HG13 . 17610 1 2021 . 1 1 169 169 ILE HG21 H 1 1.038 0.005 . 1 . . . . . 163 ILE HG2 . 17610 1 2022 . 1 1 169 169 ILE HG22 H 1 1.038 0.005 . 1 . . . . . 163 ILE HG2 . 17610 1 2023 . 1 1 169 169 ILE HG23 H 1 1.038 0.005 . 1 . . . . . 163 ILE HG2 . 17610 1 2024 . 1 1 169 169 ILE HD11 H 1 0.584 0.006 . 1 . . . . . 163 ILE HD1 . 17610 1 2025 . 1 1 169 169 ILE HD12 H 1 0.584 0.006 . 1 . . . . . 163 ILE HD1 . 17610 1 2026 . 1 1 169 169 ILE HD13 H 1 0.584 0.006 . 1 . . . . . 163 ILE HD1 . 17610 1 2027 . 1 1 169 169 ILE C C 13 178.906 0.000 . 1 . . . . . 163 ILE C . 17610 1 2028 . 1 1 169 169 ILE CA C 13 66.023 0.038 . 1 . . . . . 163 ILE CA . 17610 1 2029 . 1 1 169 169 ILE CB C 13 38.204 0.067 . 1 . . . . . 163 ILE CB . 17610 1 2030 . 1 1 169 169 ILE CG1 C 13 28.286 0.089 . 1 . . . . . 163 ILE CG1 . 17610 1 2031 . 1 1 169 169 ILE CG2 C 13 17.768 0.074 . 1 . . . . . 163 ILE CG2 . 17610 1 2032 . 1 1 169 169 ILE CD1 C 13 15.530 0.049 . 1 . . . . . 163 ILE CD1 . 17610 1 2033 . 1 1 169 169 ILE N N 15 123.244 0.092 . 1 . . . . . 163 ILE N . 17610 1 2034 . 1 1 170 170 ARG H H 1 8.405 0.008 . 1 . . . . . 164 ARG H . 17610 1 2035 . 1 1 170 170 ARG HA H 1 4.140 0.009 . 1 . . . . . 164 ARG HA . 17610 1 2036 . 1 1 170 170 ARG HB2 H 1 1.889 0.001 . 2 . . . . . 164 ARG HB2 . 17610 1 2037 . 1 1 170 170 ARG HB3 H 1 1.993 0.004 . 2 . . . . . 164 ARG HB3 . 17610 1 2038 . 1 1 170 170 ARG HG2 H 1 1.815 0.007 . 2 . . . . . 164 ARG HG . 17610 1 2039 . 1 1 170 170 ARG HG3 H 1 1.815 0.007 . 2 . . . . . 164 ARG HG . 17610 1 2040 . 1 1 170 170 ARG HD2 H 1 2.974 0.009 . 2 . . . . . 164 ARG HD2 . 17610 1 2041 . 1 1 170 170 ARG HD3 H 1 3.056 0.012 . 2 . . . . . 164 ARG HD3 . 17610 1 2042 . 1 1 170 170 ARG HE H 1 6.748 0.007 . 1 . . . . . 164 ARG HE . 17610 1 2043 . 1 1 170 170 ARG C C 13 177.532 0.000 . 1 . . . . . 164 ARG C . 17610 1 2044 . 1 1 170 170 ARG CA C 13 58.944 0.072 . 1 . . . . . 164 ARG CA . 17610 1 2045 . 1 1 170 170 ARG CB C 13 31.206 0.150 . 1 . . . . . 164 ARG CB . 17610 1 2046 . 1 1 170 170 ARG CG C 13 27.399 0.149 . 1 . . . . . 164 ARG CG . 17610 1 2047 . 1 1 170 170 ARG CD C 13 44.768 0.106 . 1 . . . . . 164 ARG CD . 17610 1 2048 . 1 1 170 170 ARG N N 15 119.842 0.088 . 1 . . . . . 164 ARG N . 17610 1 2049 . 1 1 170 170 ARG NE N 15 85.468 0.042 . 1 . . . . . 164 ARG NE . 17610 1 2050 . 1 1 171 171 GLN H H 1 7.646 0.010 . 1 . . . . . 165 GLN H . 17610 1 2051 . 1 1 171 171 GLN HA H 1 4.343 0.002 . 1 . . . . . 165 GLN HA . 17610 1 2052 . 1 1 171 171 GLN HB2 H 1 2.067 0.012 . 2 . . . . . 165 GLN HB2 . 17610 1 2053 . 1 1 171 171 GLN HB3 H 1 2.260 0.008 . 2 . . . . . 165 GLN HB3 . 17610 1 2054 . 1 1 171 171 GLN HG2 H 1 2.462 0.004 . 2 . . . . . 165 GLN HG2 . 17610 1 2055 . 1 1 171 171 GLN HG3 H 1 2.515 0.008 . 2 . . . . . 165 GLN HG3 . 17610 1 2056 . 1 1 171 171 GLN HE21 H 1 6.815 0.003 . 2 . . . . . 165 GLN HE21 . 17610 1 2057 . 1 1 171 171 GLN HE22 H 1 7.425 0.002 . 2 . . . . . 165 GLN HE22 . 17610 1 2058 . 1 1 171 171 GLN C C 13 175.218 0.000 . 1 . . . . . 165 GLN C . 17610 1 2059 . 1 1 171 171 GLN CA C 13 56.100 0.159 . 1 . . . . . 165 GLN CA . 17610 1 2060 . 1 1 171 171 GLN CB C 13 29.236 0.181 . 1 . . . . . 165 GLN CB . 17610 1 2061 . 1 1 171 171 GLN CG C 13 34.142 0.097 . 1 . . . . . 165 GLN CG . 17610 1 2062 . 1 1 171 171 GLN N N 15 116.762 0.040 . 1 . . . . . 165 GLN N . 17610 1 2063 . 1 1 171 171 GLN NE2 N 15 113.126 0.018 . 1 . . . . . 165 GLN NE2 . 17610 1 2064 . 1 1 172 172 HIS H H 1 7.692 0.006 . 1 . . . . . 166 HIS H . 17610 1 2065 . 1 1 172 172 HIS HA H 1 4.412 0.008 . 1 . . . . . 166 HIS HA . 17610 1 2066 . 1 1 172 172 HIS HB2 H 1 3.219 0.004 . 2 . . . . . 166 HIS HB2 . 17610 1 2067 . 1 1 172 172 HIS HB3 H 1 3.464 0.004 . 2 . . . . . 166 HIS HB3 . 17610 1 2068 . 1 1 172 172 HIS HD2 H 1 7.396 0.003 . 1 . . . . . 166 HIS HD2 . 17610 1 2069 . 1 1 172 172 HIS HE1 H 1 8.631 0.001 . 1 . . . . . 166 HIS HE1 . 17610 1 2070 . 1 1 172 172 HIS CA C 13 58.073 0.108 . 1 . . . . . 166 HIS CA . 17610 1 2071 . 1 1 172 172 HIS CB C 13 29.948 0.081 . 1 . . . . . 166 HIS CB . 17610 1 2072 . 1 1 172 172 HIS CD2 C 13 120.260 0.000 . 1 . . . . . 166 HIS CD2 . 17610 1 2073 . 1 1 172 172 HIS CE1 C 13 136.490 0.000 . 1 . . . . . 166 HIS CE1 . 17610 1 2074 . 1 1 172 172 HIS N N 15 126.155 0.057 . 1 . . . . . 166 HIS N . 17610 1 2075 . 2 2 1 1 GNP HN1 H 1 13.249 0.002 . 1 . . . . . 219 GNP H1 . 17610 1 2076 . 2 2 1 1 GNP H1' H 1 6.106 0.002 . 1 . . . . A 219 GNP H1' . 17610 1 2077 . 2 2 1 1 GNP H2' H 1 4.582 0.003 . 1 . . . . A 219 GNP H2' . 17610 1 2078 . 2 2 1 1 GNP H3' H 1 4.349 0.000 . 1 . . . . A 219 GNP H3' . 17610 1 2079 . 2 2 1 1 GNP H5'2 H 1 1.482 0.002 . 1 . . . . A 219 GNP H5'2 . 17610 1 2080 . 2 2 1 1 GNP H8 H 1 8.008 0.015 . 1 . . . . A 219 GNP H8 . 17610 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 17610 _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 749.93 _Heteronucl_NOE_list.Heteronuclear_NOE_val_type 'peak height' _Heteronucl_NOE_list.NOE_ref_val 0.288563 _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 11 '2D 1H-15N HSQC' . . . 17610 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 7 7 MET H H 1 . 1 1 7 7 MET N N 15 0.288563 0.00330427 . . . 1 MET H . 1 MET N 17610 1 2 . 1 1 8 8 THR H H 1 . 1 1 8 8 THR N N 15 0.559022 0.00634967 . . . 2 THR H . 2 THR N 17610 1 3 . 1 1 9 9 GLU H H 1 . 1 1 9 9 GLU N N 15 0.854677 0.00969281 . . . 3 GLU H . 3 GLU N 17610 1 4 . 1 1 11 11 LYS H H 1 . 1 1 11 11 LYS N N 15 0.953173 0.0154441 . . . 5 LYS H . 5 LYS N 17610 1 5 . 1 1 13 13 VAL H H 1 . 1 1 13 13 VAL N N 15 0.958007 0.016083 . . . 7 VAL H . 7 VAL N 17610 1 6 . 1 1 14 14 VAL H H 1 . 1 1 14 14 VAL N N 15 0.919583 0.0175073 . . . 8 VAL H . 8 VAL N 17610 1 7 . 1 1 15 15 VAL H H 1 . 1 1 15 15 VAL N N 15 0.969659 0.01621 . . . 9 VAL H . 9 VAL N 17610 1 8 . 1 1 16 16 GLY H H 1 . 1 1 16 16 GLY N N 15 0.839703 0.011383 . . . 10 GLY H . 10 GLY N 17610 1 9 . 1 1 17 17 ALA H H 1 . 1 1 17 17 ALA N N 15 0.918859 0.016381 . . . 11 ALA H . 11 ALA N 17610 1 10 . 1 1 18 18 GLY H H 1 . 1 1 18 18 GLY N N 15 0.873251 0.0116424 . . . 12 GLY H . 12 GLY N 17610 1 11 . 1 1 19 19 GLY H H 1 . 1 1 19 19 GLY N N 15 0.823233 0.0180647 . . . 13 GLY H . 13 GLY N 17610 1 12 . 1 1 21 21 GLY H H 1 . 1 1 21 21 GLY N N 15 0.890448 0.016996 . . . 15 GLY H . 15 GLY N 17610 1 13 . 1 1 23 23 SER H H 1 . 1 1 23 23 SER N N 15 0.887418 0.012368 . . . 17 SER H . 17 SER N 17610 1 14 . 1 1 24 24 ALA H H 1 . 1 1 24 24 ALA N N 15 0.854628 0.0153322 . . . 18 ALA H . 18 ALA N 17610 1 15 . 1 1 25 25 LEU H H 1 . 1 1 25 25 LEU N N 15 0.898508 0.0114739 . . . 19 LEU H . 19 LEU N 17610 1 16 . 1 1 26 26 THR H H 1 . 1 1 26 26 THR N N 15 0.988983 0.0148595 . . . 20 THR H . 20 THR N 17610 1 17 . 1 1 27 27 ILE H H 1 . 1 1 27 27 ILE N N 15 0.993044 0.0214151 . . . 21 ILE H . 21 ILE N 17610 1 18 . 1 1 30 30 ILE H H 1 . 1 1 30 30 ILE N N 15 0.887262 0.0172664 . . . 24 ILE H . 24 ILE N 17610 1 19 . 1 1 31 31 GLN H H 1 . 1 1 31 31 GLN N N 15 0.838259 0.0157275 . . . 25 GLN H . 25 GLN N 17610 1 20 . 1 1 34 34 PHE H H 1 . 1 1 34 34 PHE N N 15 0.852006 0.0124536 . . . 28 PHE H . 28 PHE N 17610 1 21 . 1 1 35 35 VAL H H 1 . 1 1 35 35 VAL N N 15 0.813352 0.0116818 . . . 29 VAL H . 29 VAL N 17610 1 22 . 1 1 37 37 GLU H H 1 . 1 1 37 37 GLU N N 15 0.599088 0.00723224 . . . 31 GLU H . 31 GLU N 17610 1 23 . 1 1 38 38 TYR H H 1 . 1 1 38 38 TYR N N 15 0.695625 0.0103078 . . . 32 TYR H . 32 TYR N 17610 1 24 . 1 1 39 39 ASP H H 1 . 1 1 39 39 ASP N N 15 0.695569 0.0264071 . . . 33 ASP H . 33 ASP N 17610 1 25 . 1 1 41 41 SER H H 1 . 1 1 41 41 SER N N 15 0.663486 0.0246761 . . . 35 SER H . 35 SER N 17610 1 26 . 1 1 42 42 ILE H H 1 . 1 1 42 42 ILE N N 15 0.658438 0.00972465 . . . 36 ILE H . 36 ILE N 17610 1 27 . 1 1 43 43 GLU H H 1 . 1 1 43 43 GLU N N 15 0.617556 0.0103228 . . . 37 GLU H . 37 GLU N 17610 1 28 . 1 1 45 45 SER H H 1 . 1 1 45 45 SER N N 15 0.711792 0.00914367 . . . 39 SER H . 39 SER N 17610 1 29 . 1 1 46 46 TYR H H 1 . 1 1 46 46 TYR N N 15 0.772463 0.0115606 . . . 40 TYR H . 40 TYR N 17610 1 30 . 1 1 48 48 LYS H H 1 . 1 1 48 48 LYS N N 15 0.759874 0.0179179 . . . 42 LYS H . 42 LYS N 17610 1 31 . 1 1 49 49 GLN H H 1 . 1 1 49 49 GLN N N 15 0.857104 0.0119774 . . . 43 GLN H . 43 GLN N 17610 1 32 . 1 1 50 50 VAL H H 1 . 1 1 50 50 VAL N N 15 0.969433 0.0160139 . . . 44 VAL H . 44 VAL N 17610 1 33 . 1 1 51 51 VAL H H 1 . 1 1 51 51 VAL N N 15 0.850559 0.0107179 . . . 45 VAL H . 45 VAL N 17610 1 34 . 1 1 52 52 ILE H H 1 . 1 1 52 52 ILE N N 15 0.866958 0.0164175 . . . 46 ILE H . 46 ILE N 17610 1 35 . 1 1 53 53 ASP H H 1 . 1 1 53 53 ASP N N 15 0.82951 0.0190919 . . . 47 ASP H . 47 ASP N 17610 1 36 . 1 1 54 54 GLY H H 1 . 1 1 54 54 GLY N N 15 0.827362 0.0118903 . . . 48 GLY H . 48 GLY N 17610 1 37 . 1 1 55 55 GLU H H 1 . 1 1 55 55 GLU N N 15 0.800617 0.0070117 . . . 49 GLU H . 49 GLU N 17610 1 38 . 1 1 56 56 THR H H 1 . 1 1 56 56 THR N N 15 0.812636 0.0101751 . . . 50 THR H . 50 THR N 17610 1 39 . 1 1 57 57 CYS H H 1 . 1 1 57 57 CYS N N 15 0.826889 0.0103596 . . . 51 CYS H . 51 CYS N 17610 1 40 . 1 1 58 58 LEU H H 1 . 1 1 58 58 LEU N N 15 0.799867 0.0114278 . . . 52 LEU H . 52 LEU N 17610 1 41 . 1 1 59 59 LEU H H 1 . 1 1 59 59 LEU N N 15 0.88743 0.0155829 . . . 53 LEU H . 53 LEU N 17610 1 42 . 1 1 60 60 ASP H H 1 . 1 1 60 60 ASP N N 15 0.907288 0.0116499 . . . 54 ASP H . 54 ASP N 17610 1 43 . 1 1 62 62 LEU H H 1 . 1 1 62 62 LEU N N 15 0.918443 0.020161 . . . 56 LEU H . 56 LEU N 17610 1 44 . 1 1 63 63 ASP H H 1 . 1 1 63 63 ASP N N 15 0.978858 0.0193086 . . . 57 ASP H . 57 ASP N 17610 1 45 . 1 1 64 64 THR H H 1 . 1 1 64 64 THR N N 15 0.754779 0.0136051 . . . 58 THR H . 58 THR N 17610 1 46 . 1 1 65 65 ALA H H 1 . 1 1 65 65 ALA N N 15 0.777416 0.0116347 . . . 59 ALA H . 59 ALA N 17610 1 47 . 1 1 66 66 GLY H H 1 . 1 1 66 66 GLY N N 15 0.769656 0.0136089 . . . 60 GLY H . 60 GLY N 17610 1 48 . 1 1 67 67 GLN H H 1 . 1 1 67 67 GLN N N 15 0.692128 0.00683731 . . . 61 GLN H . 61 GLN N 17610 1 49 . 1 1 69 69 GLU H H 1 . 1 1 69 69 GLU N N 15 0.736255 0.0139998 . . . 63 GLU H . 63 GLU N 17610 1 50 . 1 1 71 71 SER H H 1 . 1 1 71 71 SER N N 15 0.746091 0.0107224 . . . 65 SER H . 65 SER N 17610 1 51 . 1 1 72 72 ALA H H 1 . 1 1 72 72 ALA N N 15 0.739816 0.018719 . . . 66 ALA H . 66 ALA N 17610 1 52 . 1 1 73 73 MET H H 1 . 1 1 73 73 MET N N 15 0.728079 0.00785068 . . . 67 MET H . 67 MET N 17610 1 53 . 1 1 75 75 ASP H H 1 . 1 1 75 75 ASP N N 15 0.909334 0.00953289 . . . 69 ASP H . 69 ASP N 17610 1 54 . 1 1 77 77 TYR H H 1 . 1 1 77 77 TYR N N 15 0.815065 0.0102055 . . . 71 TYR H . 71 TYR N 17610 1 55 . 1 1 80 80 THR H H 1 . 1 1 80 80 THR N N 15 0.820403 0.00917712 . . . 74 THR H . 74 THR N 17610 1 56 . 1 1 81 81 GLY H H 1 . 1 1 81 81 GLY N N 15 0.774252 0.00952245 . . . 75 GLY H . 75 GLY N 17610 1 57 . 1 1 82 82 GLU H H 1 . 1 1 82 82 GLU N N 15 0.931437 0.0206467 . . . 76 GLU H . 76 GLU N 17610 1 58 . 1 1 83 83 GLY H H 1 . 1 1 83 83 GLY N N 15 0.911256 0.00977215 . . . 77 GLY H . 77 GLY N 17610 1 59 . 1 1 84 84 PHE H H 1 . 1 1 84 84 PHE N N 15 0.908218 0.016483 . . . 78 PHE H . 78 PHE N 17610 1 60 . 1 1 85 85 LEU H H 1 . 1 1 85 85 LEU N N 15 0.877705 0.0149303 . . . 79 LEU H . 79 LEU N 17610 1 61 . 1 1 86 86 CYS H H 1 . 1 1 86 86 CYS N N 15 0.893568 0.0125271 . . . 80 CYS H . 80 CYS N 17610 1 62 . 1 1 87 87 VAL H H 1 . 1 1 87 87 VAL N N 15 0.92271 0.0149701 . . . 81 VAL H . 81 VAL N 17610 1 63 . 1 1 88 88 PHE H H 1 . 1 1 88 88 PHE N N 15 0.904234 0.0119829 . . . 82 PHE H . 82 PHE N 17610 1 64 . 1 1 89 89 ALA H H 1 . 1 1 89 89 ALA N N 15 1.05932 0.0173821 . . . 83 ALA H . 83 ALA N 17610 1 65 . 1 1 90 90 ILE H H 1 . 1 1 90 90 ILE N N 15 0.888273 0.0150346 . . . 84 ILE H . 84 ILE N 17610 1 66 . 1 1 91 91 ASN H H 1 . 1 1 91 91 ASN N N 15 0.929572 0.0105003 . . . 85 ASN H . 85 ASN N 17610 1 67 . 1 1 92 92 ASN H H 1 . 1 1 92 92 ASN N N 15 0.901074 0.00906688 . . . 86 ASN H . 86 ASN N 17610 1 68 . 1 1 94 94 LYS H H 1 . 1 1 94 94 LYS N N 15 0.890299 0.0174672 . . . 88 LYS H . 88 LYS N 17610 1 69 . 1 1 95 95 SER H H 1 . 1 1 95 95 SER N N 15 0.91272 0.0105788 . . . 89 SER H . 89 SER N 17610 1 70 . 1 1 96 96 PHE H H 1 . 1 1 96 96 PHE N N 15 0.892121 0.011331 . . . 90 PHE H . 90 PHE N 17610 1 71 . 1 1 98 98 ASP H H 1 . 1 1 98 98 ASP N N 15 0.924636 0.00920073 . . . 92 ASP H . 92 ASP N 17610 1 72 . 1 1 99 99 ILE H H 1 . 1 1 99 99 ILE N N 15 0.945068 0.0125357 . . . 93 ILE H . 93 ILE N 17610 1 73 . 1 1 101 101 GLN H H 1 . 1 1 101 101 GLN N N 15 0.843948 0.00872928 . . . 95 GLN H . 95 GLN N 17610 1 74 . 1 1 102 102 TYR H H 1 . 1 1 102 102 TYR N N 15 0.85826 0.0104927 . . . 96 TYR H . 96 TYR N 17610 1 75 . 1 1 104 104 GLU H H 1 . 1 1 104 104 GLU N N 15 0.835755 0.00910474 . . . 98 GLU H . 98 GLU N 17610 1 76 . 1 1 109 109 VAL H H 1 . 1 1 109 109 VAL N N 15 0.89443 0.0103494 . . . 103 VAL H . 103 VAL N 17610 1 77 . 1 1 111 111 ASP H H 1 . 1 1 111 111 ASP N N 15 0.884489 0.00978419 . . . 105 ASP H . 105 ASP N 17610 1 78 . 1 1 112 112 SER H H 1 . 1 1 112 112 SER N N 15 0.830501 0.00660616 . . . 106 SER H . 106 SER N 17610 1 79 . 1 1 113 113 ASP H H 1 . 1 1 113 113 ASP N N 15 0.685064 0.008486 . . . 107 ASP H . 107 ASP N 17610 1 80 . 1 1 114 114 ASP H H 1 . 1 1 114 114 ASP N N 15 0.654177 0.00728672 . . . 108 ASP H . 108 ASP N 17610 1 81 . 1 1 115 115 VAL H H 1 . 1 1 115 115 VAL N N 15 0.44971 0.00534557 . . . 109 VAL H . 109 VAL N 17610 1 82 . 1 1 117 117 MET H H 1 . 1 1 117 117 MET N N 15 0.978754 0.0149216 . . . 111 MET H . 111 MET N 17610 1 83 . 1 1 118 118 VAL H H 1 . 1 1 118 118 VAL N N 15 0.85296 0.0124675 . . . 112 VAL H . 112 VAL N 17610 1 84 . 1 1 119 119 LEU H H 1 . 1 1 119 119 LEU N N 15 0.906695 0.0151987 . . . 113 LEU H . 113 LEU N 17610 1 85 . 1 1 120 120 VAL H H 1 . 1 1 120 120 VAL N N 15 0.928155 0.0181643 . . . 114 VAL H . 114 VAL N 17610 1 86 . 1 1 121 121 GLY H H 1 . 1 1 121 121 GLY N N 15 0.845063 0.0152474 . . . 115 GLY H . 115 GLY N 17610 1 87 . 1 1 122 122 ASN H H 1 . 1 1 122 122 ASN N N 15 0.952582 0.0140155 . . . 116 ASN H . 116 ASN N 17610 1 88 . 1 1 123 123 LYS H H 1 . 1 1 123 123 LYS N N 15 1.02263 0.0370152 . . . 117 LYS H . 117 LYS N 17610 1 89 . 1 1 124 124 CYS H H 1 . 1 1 124 124 CYS N N 15 0.920938 0.0100294 . . . 118 CYS H . 118 CYS N 17610 1 90 . 1 1 125 125 ASP H H 1 . 1 1 125 125 ASP N N 15 0.917941 0.0106053 . . . 119 ASP H . 119 ASP N 17610 1 91 . 1 1 126 126 LEU H H 1 . 1 1 126 126 LEU N N 15 0.950423 0.0102807 . . . 120 LEU H . 120 LEU N 17610 1 92 . 1 1 127 127 ALA H H 1 . 1 1 127 127 ALA N N 15 0.796691 0.0106306 . . . 121 ALA H . 121 ALA N 17610 1 93 . 1 1 128 128 ALA H H 1 . 1 1 128 128 ALA N N 15 0.746495 0.00673078 . . . 122 ALA H . 122 ALA N 17610 1 94 . 1 1 129 129 ARG H H 1 . 1 1 129 129 ARG N N 15 0.72245 0.00658766 . . . 123 ARG H . 123 ARG N 17610 1 95 . 1 1 130 130 THR H H 1 . 1 1 130 130 THR N N 15 0.920497 0.0276302 . . . 124 THR H . 124 THR N 17610 1 96 . 1 1 131 131 VAL H H 1 . 1 1 131 131 VAL N N 15 0.864519 0.0131216 . . . 125 VAL H . 125 VAL N 17610 1 97 . 1 1 132 132 GLU H H 1 . 1 1 132 132 GLU N N 15 0.774183 0.00920148 . . . 126 GLU H . 126 GLU N 17610 1 98 . 1 1 133 133 SER H H 1 . 1 1 133 133 SER N N 15 0.885882 0.0104575 . . . 127 SER H . 127 SER N 17610 1 99 . 1 1 134 134 ARG H H 1 . 1 1 134 134 ARG N N 15 0.852164 0.00830054 . . . 128 ARG H . 128 ARG N 17610 1 100 . 1 1 135 135 GLN H H 1 . 1 1 135 135 GLN N N 15 0.883208 0.00961879 . . . 129 GLN H . 129 GLN N 17610 1 101 . 1 1 136 136 ALA H H 1 . 1 1 136 136 ALA N N 15 0.921163 0.0100318 . . . 130 ALA H . 130 ALA N 17610 1 102 . 1 1 137 137 GLN H H 1 . 1 1 137 137 GLN N N 15 0.952885 0.0101221 . . . 131 GLN H . 131 GLN N 17610 1 103 . 1 1 138 138 ASP H H 1 . 1 1 138 138 ASP N N 15 0.90523 0.00889215 . . . 132 ASP H . 132 ASP N 17610 1 104 . 1 1 139 139 LEU H H 1 . 1 1 139 139 LEU N N 15 0.921954 0.0103309 . . . 133 LEU H . 133 LEU N 17610 1 105 . 1 1 141 141 ARG H H 1 . 1 1 141 141 ARG N N 15 0.83925 0.00803319 . . . 135 ARG H . 135 ARG N 17610 1 106 . 1 1 142 142 SER H H 1 . 1 1 142 142 SER N N 15 0.923706 0.00749311 . . . 136 SER H . 136 SER N 17610 1 107 . 1 1 143 143 TYR H H 1 . 1 1 143 143 TYR N N 15 0.938322 0.0106529 . . . 137 TYR H . 137 TYR N 17610 1 108 . 1 1 144 144 GLY H H 1 . 1 1 144 144 GLY N N 15 0.945115 0.0123026 . . . 138 GLY H . 138 GLY N 17610 1 109 . 1 1 145 145 ILE H H 1 . 1 1 145 145 ILE N N 15 0.905964 0.0110278 . . . 139 ILE H . 139 ILE N 17610 1 110 . 1 1 148 148 ILE H H 1 . 1 1 148 148 ILE N N 15 0.947425 0.0139928 . . . 142 ILE H . 142 ILE N 17610 1 111 . 1 1 149 149 GLU H H 1 . 1 1 149 149 GLU N N 15 0.882353 0.0103646 . . . 143 GLU H . 143 GLU N 17610 1 112 . 1 1 152 152 ALA H H 1 . 1 1 152 152 ALA N N 15 0.934271 0.0174596 . . . 146 ALA H . 146 ALA N 17610 1 113 . 1 1 153 153 LYS H H 1 . 1 1 153 153 LYS N N 15 0.933131 0.0299317 . . . 147 LYS H . 147 LYS N 17610 1 114 . 1 1 154 154 THR H H 1 . 1 1 154 154 THR N N 15 0.91677 0.0143745 . . . 148 THR H . 148 THR N 17610 1 115 . 1 1 156 156 GLN H H 1 . 1 1 156 156 GLN N N 15 0.768084 0.00872668 . . . 150 GLN H . 150 GLN N 17610 1 116 . 1 1 157 157 GLY H H 1 . 1 1 157 157 GLY N N 15 0.865207 0.0131321 . . . 151 GLY H . 151 GLY N 17610 1 117 . 1 1 158 158 VAL H H 1 . 1 1 158 158 VAL N N 15 0.879535 0.0104185 . . . 152 VAL H . 152 VAL N 17610 1 118 . 1 1 159 159 GLU H H 1 . 1 1 159 159 GLU N N 15 0.927817 0.0114765 . . . 153 GLU H . 153 GLU N 17610 1 119 . 1 1 160 160 ASP H H 1 . 1 1 160 160 ASP N N 15 0.903489 0.00726878 . . . 154 ASP H . 154 ASP N 17610 1 120 . 1 1 161 161 ALA H H 1 . 1 1 161 161 ALA N N 15 0.916821 0.00983182 . . . 155 ALA H . 155 ALA N 17610 1 121 . 1 1 162 162 PHE H H 1 . 1 1 162 162 PHE N N 15 0.960671 0.0121561 . . . 156 PHE H . 156 PHE N 17610 1 122 . 1 1 163 163 TYR H H 1 . 1 1 163 163 TYR N N 15 0.923367 0.0091881 . . . 157 TYR H . 157 TYR N 17610 1 123 . 1 1 164 164 THR H H 1 . 1 1 164 164 THR N N 15 0.933626 0.0145155 . . . 158 THR H . 158 THR N 17610 1 124 . 1 1 165 165 LEU H H 1 . 1 1 165 165 LEU N N 15 0.95001 0.0127221 . . . 159 LEU H . 159 LEU N 17610 1 125 . 1 1 166 166 VAL H H 1 . 1 1 166 166 VAL N N 15 0.91065 0.0121375 . . . 160 VAL H . 160 VAL N 17610 1 126 . 1 1 167 167 ARG H H 1 . 1 1 167 167 ARG N N 15 0.918184 0.0120786 . . . 161 ARG H . 161 ARG N 17610 1 127 . 1 1 168 168 GLU H H 1 . 1 1 168 168 GLU N N 15 0.912715 0.012522 . . . 162 GLU H . 162 GLU N 17610 1 128 . 1 1 169 169 ILE H H 1 . 1 1 169 169 ILE N N 15 0.983506 0.0167759 . . . 163 ILE H . 163 ILE N 17610 1 129 . 1 1 171 171 GLN H H 1 . 1 1 171 171 GLN N N 15 0.781123 0.00743901 . . . 165 GLN H . 165 GLN N 17610 1 130 . 1 1 172 172 HIS H H 1 . 1 1 172 172 HIS N N 15 0.665177 0.00531104 . . . 166 HIS H . 166 HIS N 17610 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 17610 _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 749.93 _Heteronucl_T1_list.T1_coherence_type Sz _Heteronucl_T1_list.T1_val_units s _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 11 '2D 1H-15N HSQC' . . . 17610 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 7 7 MET N N 15 0.759826 0.0134 . . 1 MET N 17610 1 2 . 1 1 8 8 THR N N 15 0.949357 0.0227 . . 2 THR N 17610 1 3 . 1 1 9 9 GLU N N 15 1.1717 0.0388 . . 3 GLU N 17610 1 4 . 1 1 11 11 LYS N N 15 1.26577 0.0342 . . 5 LYS N 17610 1 5 . 1 1 13 13 VAL N N 15 1.15194 0.0324 . . 7 VAL N 17610 1 6 . 1 1 14 14 VAL N N 15 1.04139 0.032 . . 8 VAL N 17610 1 7 . 1 1 15 15 VAL N N 15 1.14896 0.0274 . . 9 VAL N 17610 1 8 . 1 1 16 16 GLY N N 15 1.07246 0.0333 . . 10 GLY N 17610 1 9 . 1 1 17 17 ALA N N 15 1.02473 0.0358 . . 11 ALA N 17610 1 10 . 1 1 18 18 GLY N N 15 1.1169 0.0273 . . 12 GLY N 17610 1 11 . 1 1 19 19 GLY N N 15 0.976172 0.0397 . . 13 GLY N 17610 1 12 . 1 1 21 21 GLY N N 15 0.996146 0.0421 . . 15 GLY N 17610 1 13 . 1 1 23 23 SER N N 15 1.08262 0.0294 . . 17 SER N 17610 1 14 . 1 1 24 24 ALA N N 15 1.14607 0.0418 . . 18 ALA N 17610 1 15 . 1 1 25 25 LEU N N 15 1.1336 0.0372 . . 19 LEU N 17610 1 16 . 1 1 26 26 THR N N 15 1.08105 0.0277 . . 20 THR N 17610 1 17 . 1 1 27 27 ILE N N 15 1.15666 0.0365 . . 21 ILE N 17610 1 18 . 1 1 30 30 ILE N N 15 1.10576 0.0423 . . 24 ILE N 17610 1 19 . 1 1 31 31 GLN N N 15 1.1226 0.0399 . . 25 GLN N 17610 1 20 . 1 1 34 34 PHE N N 15 0.923292 0.0379 . . 28 PHE N 17610 1 21 . 1 1 35 35 VAL N N 15 0.953045 0.0325 . . 29 VAL N 17610 1 22 . 1 1 37 37 GLU N N 15 0.859037 0.0183 . . 31 GLU N 17610 1 23 . 1 1 38 38 TYR N N 15 0.892548 0.0139 . . 32 TYR N 17610 1 24 . 1 1 39 39 ASP N N 15 0.769637 0.0578 . . 33 ASP N 17610 1 25 . 1 1 41 41 SER N N 15 0.716609 0.0361 . . 35 SER N 17610 1 26 . 1 1 42 42 ILE N N 15 0.805595 0.0185 . . 36 ILE N 17610 1 27 . 1 1 43 43 GLU N N 15 0.784461 0.0116 . . 37 GLU N 17610 1 28 . 1 1 45 45 SER N N 15 0.918839 0.0251 . . 39 SER N 17610 1 29 . 1 1 46 46 TYR N N 15 0.968993 0.0253 . . 40 TYR N 17610 1 30 . 1 1 48 48 LYS N N 15 1.11187 0.029 . . 42 LYS N 17610 1 31 . 1 1 49 49 GLN N N 15 1.05051 0.0291 . . 43 GLN N 17610 1 32 . 1 1 50 50 VAL N N 15 1.14278 0.0304 . . 44 VAL N 17610 1 33 . 1 1 51 51 VAL N N 15 1.14574 0.0191 . . 45 VAL N 17610 1 34 . 1 1 52 52 ILE N N 15 1.24833 0.072 . . 46 ILE N 17610 1 35 . 1 1 53 53 ASP N N 15 1.04147 0.0367 . . 47 ASP N 17610 1 36 . 1 1 54 54 GLY N N 15 0.939363 0.0297 . . 48 GLY N 17610 1 37 . 1 1 55 55 GLU N N 15 1.12528 0.0291 . . 49 GLU N 17610 1 38 . 1 1 56 56 THR N N 15 1.00632 0.0246 . . 50 THR N 17610 1 39 . 1 1 57 57 CYS N N 15 1.05437 0.0157 . . 51 CYS N 17610 1 40 . 1 1 58 58 LEU N N 15 1.158 0.0155 . . 52 LEU N 17610 1 41 . 1 1 59 59 LEU N N 15 1.16064 0.0274 . . 53 LEU N 17610 1 42 . 1 1 60 60 ASP N N 15 1.18365 0.0252 . . 54 ASP N 17610 1 43 . 1 1 62 62 LEU N N 15 1.12544 0.025 . . 56 LEU N 17610 1 44 . 1 1 63 63 ASP N N 15 1.14231 0.0487 . . 57 ASP N 17610 1 45 . 1 1 64 64 THR N N 15 1.13931 0.0358 . . 58 THR N 17610 1 46 . 1 1 65 65 ALA N N 15 1.05797 0.0245 . . 59 ALA N 17610 1 47 . 1 1 66 66 GLY N N 15 0.956615 0.0217 . . 60 GLY N 17610 1 48 . 1 1 67 67 GLN N N 15 0.850841 0.0232 . . 61 GLN N 17610 1 49 . 1 1 69 69 GLU N N 15 0.845236 0.0208 . . 63 GLU N 17610 1 50 . 1 1 71 71 SER N N 15 0.841418 0.0245 . . 65 SER N 17610 1 51 . 1 1 72 72 ALA N N 15 1.0196 0.0683 . . 66 ALA N 17610 1 52 . 1 1 73 73 MET N N 15 0.862383 0.0243 . . 67 MET N 17610 1 53 . 1 1 75 75 ASP N N 15 0.936851 0.0209 . . 69 ASP N 17610 1 54 . 1 1 77 77 TYR N N 15 0.97133 0.028 . . 71 TYR N 17610 1 55 . 1 1 80 80 THR N N 15 0.93301 0.028 . . 74 THR N 17610 1 56 . 1 1 81 81 GLY N N 15 1.0149 0.0272 . . 75 GLY N 17610 1 57 . 1 1 82 82 GLU N N 15 1.14136 0.0444 . . 76 GLU N 17610 1 58 . 1 1 83 83 GLY N N 15 1.1594 0.0253 . . 77 GLY N 17610 1 59 . 1 1 84 84 PHE N N 15 1.18898 0.0564 . . 78 PHE N 17610 1 60 . 1 1 85 85 LEU N N 15 1.16962 0.0265 . . 79 LEU N 17610 1 61 . 1 1 86 86 CYS N N 15 1.18268 0.0299 . . 80 CYS N 17610 1 62 . 1 1 87 87 VAL N N 15 1.15911 0.036 . . 81 VAL N 17610 1 63 . 1 1 88 88 PHE N N 15 1.08986 0.0207 . . 82 PHE N 17610 1 64 . 1 1 89 89 ALA N N 15 1.11541 0.0302 . . 83 ALA N 17610 1 65 . 1 1 90 90 ILE N N 15 1.17425 0.0393 . . 84 ILE N 17610 1 66 . 1 1 91 91 ASN N N 15 1.06181 0.0271 . . 85 ASN N 17610 1 67 . 1 1 92 92 ASN N N 15 1.11923 0.0346 . . 86 ASN N 17610 1 68 . 1 1 94 94 LYS N N 15 0.984477 0.0506 . . 88 LYS N 17610 1 69 . 1 1 95 95 SER N N 15 1.12364 0.0235 . . 89 SER N 17610 1 70 . 1 1 96 96 PHE N N 15 1.05486 0.0311 . . 90 PHE N 17610 1 71 . 1 1 98 98 ASP N N 15 1.09564 0.0141 . . 92 ASP N 17610 1 72 . 1 1 99 99 ILE N N 15 1.11408 0.0332 . . 93 ILE N 17610 1 73 . 1 1 101 101 GLN N N 15 1.08976 0.031 . . 95 GLN N 17610 1 74 . 1 1 102 102 TYR N N 15 1.15362 0.0536 . . 96 TYR N 17610 1 75 . 1 1 104 104 GLU N N 15 1.10325 0.0269 . . 98 GLU N 17610 1 76 . 1 1 109 109 VAL N N 15 1.0907 0.00933 . . 103 VAL N 17610 1 77 . 1 1 111 111 ASP N N 15 1.1193 0.0225 . . 105 ASP N 17610 1 78 . 1 1 112 112 SER N N 15 1.11091 0.0207 . . 106 SER N 17610 1 79 . 1 1 113 113 ASP N N 15 0.933647 0.0222 . . 107 ASP N 17610 1 80 . 1 1 114 114 ASP N N 15 0.991274 0.0241 . . 108 ASP N 17610 1 81 . 1 1 115 115 VAL N N 15 1.04353 0.0232 . . 109 VAL N 17610 1 82 . 1 1 117 117 MET N N 15 1.10343 0.0411 . . 111 MET N 17610 1 83 . 1 1 118 118 VAL N N 15 1.15851 0.0347 . . 112 VAL N 17610 1 84 . 1 1 119 119 LEU N N 15 1.05371 0.0297 . . 113 LEU N 17610 1 85 . 1 1 120 120 VAL N N 15 1.16662 0.0116 . . 114 VAL N 17610 1 86 . 1 1 121 121 GLY N N 15 1.09916 0.0433 . . 115 GLY N 17610 1 87 . 1 1 122 122 ASN N N 15 1.13366 0.0289 . . 116 ASN N 17610 1 88 . 1 1 123 123 LYS N N 15 1.12902 0.0786 . . 117 LYS N 17610 1 89 . 1 1 124 124 CYS N N 15 1.17402 0.0232 . . 118 CYS N 17610 1 90 . 1 1 125 125 ASP N N 15 1.00898 0.0157 . . 119 ASP N 17610 1 91 . 1 1 126 126 LEU N N 15 1.15081 0.0255 . . 120 LEU N 17610 1 92 . 1 1 127 127 ALA N N 15 1.0472 0.0465 . . 121 ALA N 17610 1 93 . 1 1 128 128 ALA N N 15 1.11479 0.0219 . . 122 ALA N 17610 1 94 . 1 1 129 129 ARG N N 15 1.25976 0.0249 . . 123 ARG N 17610 1 95 . 1 1 130 130 THR N N 15 1.2009 0.0371 . . 124 THR N 17610 1 96 . 1 1 131 131 VAL N N 15 1.0943 0.0355 . . 125 VAL N 17610 1 97 . 1 1 132 132 GLU N N 15 1.17421 0.03 . . 126 GLU N 17610 1 98 . 1 1 133 133 SER N N 15 0.98094 0.0323 . . 127 SER N 17610 1 99 . 1 1 134 134 ARG N N 15 0.943185 0.0139 . . 128 ARG N 17610 1 100 . 1 1 135 135 GLN N N 15 1.11503 0.018 . . 129 GLN N 17610 1 101 . 1 1 136 136 ALA N N 15 1.10748 0.0238 . . 130 ALA N 17610 1 102 . 1 1 137 137 GLN N N 15 1.12393 0.0143 . . 131 GLN N 17610 1 103 . 1 1 138 138 ASP N N 15 1.15816 0.0178 . . 132 ASP N 17610 1 104 . 1 1 139 139 LEU N N 15 1.11599 0.0198 . . 133 LEU N 17610 1 105 . 1 1 141 141 ARG N N 15 1.1564 0.0175 . . 135 ARG N 17610 1 106 . 1 1 142 142 SER N N 15 1.1215 0.0243 . . 136 SER N 17610 1 107 . 1 1 143 143 TYR N N 15 1.06703 0.028 . . 137 TYR N 17610 1 108 . 1 1 144 144 GLY N N 15 1.21122 0.0251 . . 138 GLY N 17610 1 109 . 1 1 145 145 ILE N N 15 1.23284 0.0286 . . 139 ILE N 17610 1 110 . 1 1 148 148 ILE N N 15 1.07782 0.0218 . . 142 ILE N 17610 1 111 . 1 1 149 149 GLU N N 15 1.17938 0.0301 . . 143 GLU N 17610 1 112 . 1 1 152 152 ALA N N 15 1.20628 0.0225 . . 146 ALA N 17610 1 113 . 1 1 153 153 LYS N N 15 1.09153 0.05 . . 147 LYS N 17610 1 114 . 1 1 154 154 THR N N 15 1.13718 0.0227 . . 148 THR N 17610 1 115 . 1 1 156 156 GLN N N 15 1.13687 0.031 . . 150 GLN N 17610 1 116 . 1 1 157 157 GLY N N 15 1.0429 0.0243 . . 151 GLY N 17610 1 117 . 1 1 158 158 VAL N N 15 1.10638 0.0176 . . 152 VAL N 17610 1 118 . 1 1 159 159 GLU N N 15 1.13823 0.0295 . . 153 GLU N 17610 1 119 . 1 1 160 160 ASP N N 15 1.15976 0.021 . . 154 ASP N 17610 1 120 . 1 1 161 161 ALA N N 15 1.13733 0.0191 . . 155 ALA N 17610 1 121 . 1 1 162 162 PHE N N 15 1.15022 0.0323 . . 156 PHE N 17610 1 122 . 1 1 163 163 TYR N N 15 1.1368 0.0203 . . 157 TYR N 17610 1 123 . 1 1 164 164 THR N N 15 1.07371 0.0245 . . 158 THR N 17610 1 124 . 1 1 165 165 LEU N N 15 1.12621 0.0327 . . 159 LEU N 17610 1 125 . 1 1 166 166 VAL N N 15 1.15613 0.0302 . . 160 VAL N 17610 1 126 . 1 1 167 167 ARG N N 15 1.11157 0.0278 . . 161 ARG N 17610 1 127 . 1 1 168 168 GLU N N 15 1.06007 0.0136 . . 162 GLU N 17610 1 128 . 1 1 169 169 ILE N N 15 1.09525 0.0249 . . 163 ILE N 17610 1 129 . 1 1 171 171 GLN N N 15 1.06722 0.019 . . 165 GLN N 17610 1 130 . 1 1 172 172 HIS N N 15 0.926122 0.0138 . . 166 HIS N 17610 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 17610 _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 methanol _Heteronucl_T2_list.Temp_control_method 'single scan interleaving' _Heteronucl_T2_list.Spectrometer_frequency_1H 749.93 _Heteronucl_T2_list.T2_coherence_type S(+,-) _Heteronucl_T2_list.T2_val_units ms _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 11 '2D 1H-15N HSQC' . . . 17610 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 7 7 MET N N 15 141.121 1.3 . . . . 1 MET N 17610 1 2 . 1 1 8 8 THR N N 15 78.0201 6.17 . . . . 2 THR N 17610 1 3 . 1 1 9 9 GLU N N 15 66.0746 1.08 . . . . 3 GLU N 17610 1 4 . 1 1 11 11 LYS N N 15 62.1008 1.35 . . . . 5 LYS N 17610 1 5 . 1 1 13 13 VAL N N 15 65.3608 2.28 . . . . 7 VAL N 17610 1 6 . 1 1 14 14 VAL N N 15 54.4233 1.51 . . . . 8 VAL N 17610 1 7 . 1 1 15 15 VAL N N 15 56.878 1.52 . . . . 9 VAL N 17610 1 8 . 1 1 16 16 GLY N N 15 65.593 2.59 . . . . 10 GLY N 17610 1 9 . 1 1 17 17 ALA N N 15 58.1454 1.46 . . . . 11 ALA N 17610 1 10 . 1 1 18 18 GLY N N 15 58.7159 0.688 . . . . 12 GLY N 17610 1 11 . 1 1 19 19 GLY N N 15 57.6155 0.879 . . . . 13 GLY N 17610 1 12 . 1 1 21 21 GLY N N 15 49.6636 2.12 . . . . 15 GLY N 17610 1 13 . 1 1 23 23 SER N N 15 54.1445 1 . . . . 17 SER N 17610 1 14 . 1 1 24 24 ALA N N 15 54.6805 1.08 . . . . 18 ALA N 17610 1 15 . 1 1 25 25 LEU N N 15 56.063 1.59 . . . . 19 LEU N 17610 1 16 . 1 1 26 26 THR N N 15 52.0043 1.12 . . . . 20 THR N 17610 1 17 . 1 1 27 27 ILE N N 15 58.0619 1.69 . . . . 21 ILE N 17610 1 18 . 1 1 30 30 ILE N N 15 52.3344 1.52 . . . . 24 ILE N 17610 1 19 . 1 1 31 31 GLN N N 15 54.3873 0.963 . . . . 25 GLN N 17610 1 20 . 1 1 34 34 PHE N N 15 60.9482 0.79 . . . . 28 PHE N 17610 1 21 . 1 1 35 35 VAL N N 15 51.7769 0.375 . . . . 29 VAL N 17610 1 22 . 1 1 37 37 GLU N N 15 66.3832 0.611 . . . . 31 GLU N 17610 1 23 . 1 1 38 38 TYR N N 15 76.1576 1.24 . . . . 32 TYR N 17610 1 24 . 1 1 39 39 ASP N N 15 43.148 1.3 . . . . 33 ASP N 17610 1 25 . 1 1 41 41 SER N N 15 36.2021 1.54 . . . . 35 SER N 17610 1 26 . 1 1 42 42 ILE N N 15 74.9589 1.53 . . . . 36 ILE N 17610 1 27 . 1 1 43 43 GLU N N 15 42.536 0.72 . . . . 37 GLU N 17610 1 28 . 1 1 45 45 SER N N 15 73.6314 1.03 . . . . 39 SER N 17610 1 29 . 1 1 46 46 TYR N N 15 66.8397 0.973 . . . . 40 TYR N 17610 1 30 . 1 1 48 48 LYS N N 15 65.9835 1.97 . . . . 42 LYS N 17610 1 31 . 1 1 49 49 GLN N N 15 62.1269 0.67 . . . . 43 GLN N 17610 1 32 . 1 1 50 50 VAL N N 15 58.3184 0.712 . . . . 44 VAL N 17610 1 33 . 1 1 51 51 VAL N N 15 66.6134 1.75 . . . . 45 VAL N 17610 1 34 . 1 1 52 52 ILE N N 15 58.5113 1.38 . . . . 46 ILE N 17610 1 35 . 1 1 53 53 ASP N N 15 57.1462 1.31 . . . . 47 ASP N 17610 1 36 . 1 1 54 54 GLY N N 15 63.2768 0.665 . . . . 48 GLY N 17610 1 37 . 1 1 55 55 GLU N N 15 58.1704 1.18 . . . . 49 GLU N 17610 1 38 . 1 1 56 56 THR N N 15 61.0468 0.999 . . . . 50 THR N 17610 1 39 . 1 1 57 57 CYS N N 15 56.9939 0.427 . . . . 51 CYS N 17610 1 40 . 1 1 58 58 LEU N N 15 62.8986 1.64 . . . . 52 LEU N 17610 1 41 . 1 1 59 59 LEU N N 15 60.3273 0.579 . . . . 53 LEU N 17610 1 42 . 1 1 60 60 ASP N N 15 61.1918 4.35 . . . . 54 ASP N 17610 1 43 . 1 1 62 62 LEU N N 15 60.7683 1.39 . . . . 56 LEU N 17610 1 44 . 1 1 63 63 ASP N N 15 51.6492 1.83 . . . . 57 ASP N 17610 1 45 . 1 1 64 64 THR N N 15 58.2243 1.45 . . . . 58 THR N 17610 1 46 . 1 1 65 65 ALA N N 15 52.9726 2.53 . . . . 59 ALA N 17610 1 47 . 1 1 66 66 GLY N N 15 59.865 0.722 . . . . 60 GLY N 17610 1 48 . 1 1 67 67 GLN N N 15 76.7089 0.508 . . . . 61 GLN N 17610 1 49 . 1 1 69 69 GLU N N 15 74.0876 3.68 . . . . 63 GLU N 17610 1 50 . 1 1 71 71 SER N N 15 66.9865 1.33 . . . . 65 SER N 17610 1 51 . 1 1 72 72 ALA N N 15 53.8554 1.08 . . . . 66 ALA N 17610 1 52 . 1 1 73 73 MET N N 15 61.8188 0.839 . . . . 67 MET N 17610 1 53 . 1 1 75 75 ASP N N 15 57.797 0.413 . . . . 69 ASP N 17610 1 54 . 1 1 77 77 TYR N N 15 54.1015 0.7 . . . . 71 TYR N 17610 1 55 . 1 1 80 80 THR N N 15 56.194 0.656 . . . . 74 THR N 17610 1 56 . 1 1 81 81 GLY N N 15 54.7088 1 . . . . 75 GLY N 17610 1 57 . 1 1 82 82 GLU N N 15 57.7429 0.775 . . . . 76 GLU N 17610 1 58 . 1 1 83 83 GLY N N 15 62.7564 0.335 . . . . 77 GLY N 17610 1 59 . 1 1 84 84 PHE N N 15 65.2269 3.02 . . . . 78 PHE N 17610 1 60 . 1 1 85 85 LEU N N 15 57.0565 0.765 . . . . 79 LEU N 17610 1 61 . 1 1 86 86 CYS N N 15 57.4513 1.88 . . . . 80 CYS N 17610 1 62 . 1 1 87 87 VAL N N 15 58.5917 0.868 . . . . 81 VAL N 17610 1 63 . 1 1 88 88 PHE N N 15 56.4696 0.805 . . . . 82 PHE N 17610 1 64 . 1 1 89 89 ALA N N 15 56.2462 1.06 . . . . 83 ALA N 17610 1 65 . 1 1 90 90 ILE N N 15 55.0672 0.699 . . . . 84 ILE N 17610 1 66 . 1 1 91 91 ASN N N 15 49.069 0.666 . . . . 85 ASN N 17610 1 67 . 1 1 92 92 ASN N N 15 55.4807 0.447 . . . . 86 ASN N 17610 1 68 . 1 1 94 94 LYS N N 15 54.9368 1.24 . . . . 88 LYS N 17610 1 69 . 1 1 95 95 SER N N 15 56.8363 0.645 . . . . 89 SER N 17610 1 70 . 1 1 96 96 PHE N N 15 51.0295 0.607 . . . . 90 PHE N 17610 1 71 . 1 1 98 98 ASP N N 15 58.2551 0.821 . . . . 92 ASP N 17610 1 72 . 1 1 99 99 ILE N N 15 52.7721 0.239 . . . . 93 ILE N 17610 1 73 . 1 1 101 101 GLN N N 15 57.1402 0.195 . . . . 95 GLN N 17610 1 74 . 1 1 102 102 TYR N N 15 54.5672 0.355 . . . . 96 TYR N 17610 1 75 . 1 1 104 104 GLU N N 15 53.5064 1.11 . . . . 98 GLU N 17610 1 76 . 1 1 109 109 VAL N N 15 53.8091 1.13 . . . . 103 VAL N 17610 1 77 . 1 1 111 111 ASP N N 15 60.1975 0.38 . . . . 105 ASP N 17610 1 78 . 1 1 112 112 SER N N 15 64.8063 0.238 . . . . 106 SER N 17610 1 79 . 1 1 113 113 ASP N N 15 81.3356 4.18 . . . . 107 ASP N 17610 1 80 . 1 1 114 114 ASP N N 15 71.5803 0.405 . . . . 108 ASP N 17610 1 81 . 1 1 115 115 VAL N N 15 91.7063 1.02 . . . . 109 VAL N 17610 1 82 . 1 1 117 117 MET N N 15 56.6645 6.48 . . . . 111 MET N 17610 1 83 . 1 1 118 118 VAL N N 15 58.3441 0.71 . . . . 112 VAL N 17610 1 84 . 1 1 119 119 LEU N N 15 56.3669 0.824 . . . . 113 LEU N 17610 1 85 . 1 1 120 120 VAL N N 15 60.9127 1.32 . . . . 114 VAL N 17610 1 86 . 1 1 121 121 GLY N N 15 57.6486 1.38 . . . . 115 GLY N 17610 1 87 . 1 1 122 122 ASN N N 15 58.1019 0.566 . . . . 116 ASN N 17610 1 88 . 1 1 123 123 LYS N N 15 51.1511 1.89 . . . . 117 LYS N 17610 1 89 . 1 1 124 124 CYS N N 15 52.9554 0.388 . . . . 118 CYS N 17610 1 90 . 1 1 125 125 ASP N N 15 51.5711 0.695 . . . . 119 ASP N 17610 1 91 . 1 1 126 126 LEU N N 15 55.6484 0.243 . . . . 120 LEU N 17610 1 92 . 1 1 127 127 ALA N N 15 67.271 0.738 . . . . 121 ALA N 17610 1 93 . 1 1 128 128 ALA N N 15 74.3099 0.918 . . . . 122 ALA N 17610 1 94 . 1 1 129 129 ARG N N 15 80.4367 0.547 . . . . 123 ARG N 17610 1 95 . 1 1 130 130 THR N N 15 51.9693 0.916 . . . . 124 THR N 17610 1 96 . 1 1 131 131 VAL N N 15 64.2097 1.48 . . . . 125 VAL N 17610 1 97 . 1 1 132 132 GLU N N 15 61.0434 0.647 . . . . 126 GLU N 17610 1 98 . 1 1 133 133 SER N N 15 58.7373 0.535 . . . . 127 SER N 17610 1 99 . 1 1 134 134 ARG N N 15 54.1529 0.646 . . . . 128 ARG N 17610 1 100 . 1 1 135 135 GLN N N 15 57.4183 0.417 . . . . 129 GLN N 17610 1 101 . 1 1 136 136 ALA N N 15 56.6293 1.52 . . . . 130 ALA N 17610 1 102 . 1 1 137 137 GLN N N 15 54.2055 0.956 . . . . 131 GLN N 17610 1 103 . 1 1 138 138 ASP N N 15 57.0212 0.751 . . . . 132 ASP N 17610 1 104 . 1 1 139 139 LEU N N 15 52.5793 1.33 . . . . 133 LEU N 17610 1 105 . 1 1 141 141 ARG N N 15 53.9639 0.77 . . . . 135 ARG N 17610 1 106 . 1 1 142 142 SER N N 15 55.0791 0.479 . . . . 136 SER N 17610 1 107 . 1 1 143 143 TYR N N 15 57.0722 0.464 . . . . 137 TYR N 17610 1 108 . 1 1 144 144 GLY N N 15 57.8329 1.19 . . . . 138 GLY N 17610 1 109 . 1 1 145 145 ILE N N 15 53.2275 0.281 . . . . 139 ILE N 17610 1 110 . 1 1 148 148 ILE N N 15 58.5742 0.967 . . . . 142 ILE N 17610 1 111 . 1 1 149 149 GLU N N 15 60.8195 2.35 . . . . 143 GLU N 17610 1 112 . 1 1 152 152 ALA N N 15 58.451 1.39 . . . . 146 ALA N 17610 1 113 . 1 1 153 153 LYS N N 15 54.1349 1.06 . . . . 147 LYS N 17610 1 114 . 1 1 154 154 THR N N 15 56.8124 1.42 . . . . 148 THR N 17610 1 115 . 1 1 156 156 GLN N N 15 56.0506 1.46 . . . . 150 GLN N 17610 1 116 . 1 1 157 157 GLY N N 15 55.697 0.984 . . . . 151 GLY N 17610 1 117 . 1 1 158 158 VAL N N 15 54.7972 0.712 . . . . 152 VAL N 17610 1 118 . 1 1 159 159 GLU N N 15 55.3193 0.8 . . . . 153 GLU N 17610 1 119 . 1 1 160 160 ASP N N 15 56.9177 0.196 . . . . 154 ASP N 17610 1 120 . 1 1 161 161 ALA N N 15 53.4087 1.14 . . . . 155 ALA N 17610 1 121 . 1 1 162 162 PHE N N 15 57.4083 0.606 . . . . 156 PHE N 17610 1 122 . 1 1 163 163 TYR N N 15 55.3601 0.215 . . . . 157 TYR N 17610 1 123 . 1 1 164 164 THR N N 15 53.9043 1.08 . . . . 158 THR N 17610 1 124 . 1 1 165 165 LEU N N 15 58.1926 0.889 . . . . 159 LEU N 17610 1 125 . 1 1 166 166 VAL N N 15 57.2493 0.746 . . . . 160 VAL N 17610 1 126 . 1 1 167 167 ARG N N 15 54.5904 0.373 . . . . 161 ARG N 17610 1 127 . 1 1 168 168 GLU N N 15 54.0789 1.59 . . . . 162 GLU N 17610 1 128 . 1 1 169 169 ILE N N 15 58.5849 2.11 . . . . 163 ILE N 17610 1 129 . 1 1 171 171 GLN N N 15 62.6311 0.447 . . . . 165 GLN N 17610 1 130 . 1 1 172 172 HIS N N 15 81.4985 5.91 . . . . 166 HIS N 17610 1 stop_ save_