data_34608 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 34608 _Entry.Title ; Calmodulin extracts the Ras family protein RalA from lipid bilayers by engagement with two membrane targeting motifs ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2021-03-01 _Entry.Accession_date 2021-03-01 _Entry.Last_release_date 2021-03-30 _Entry.Original_release_date 2021-03-30 _Entry.Origination author _Entry.Format_name . _Entry.NMR_STAR_version 3.2.14.0 _Entry.NMR_STAR_dict_location . _Entry.Original_NMR_STAR_version 3.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype 'SOLUTION NMR' _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 S. Chamberlain S. G. . . 34608 2 D. Owen D. . . . 34608 3 H. Mott H. R. . . 34608 stop_ loop_ _Struct_keywords.Keywords _Struct_keywords.Text _Struct_keywords.Entry_ID 'SIGNALING PROTEIN' . 34608 'farnesylation; calcium binding' . 34608 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 34608 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 524 34608 '15N chemical shifts' 140 34608 '1H chemical shifts' 1087 34608 stop_ loop_ _Release.Release_number _Release.Format_type _Release.Format_version _Release.Date _Release.Submission_date _Release.Type _Release.Author _Release.Detail _Release.Entry_ID 1 . . 2021-09-17 . original BMRB . 34608 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 7NQC 'BMRB Entry Tracking System' 34608 stop_ save_ ############### # Citations # ############### save_citation_1 _Citation.Sf_category citations _Citation.Sf_framecode citation_1 _Citation.Entry_ID 34608 _Citation.ID 1 _Citation.Name . _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.PubMed_ID 34480001 _Citation.DOI . _Citation.Full_citation . _Citation.Title ; Calmodulin extracts the Ras family protein RalA from lipid bilayers by engagement with two membrane-targeting motifs ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'Proc. Natl. Acad. Sci. U. S. A.' _Citation.Journal_name_full 'Proceedings of the National Academy of Sciences of the United States of America' _Citation.Journal_volume 118 _Citation.Journal_issue 36 _Citation.Journal_ASTM . _Citation.Journal_ISSN 1091-6490 _Citation.Journal_CSD 0353 _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 e2104219118 _Citation.Page_last e2104219118 _Citation.Year 2021 _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 S. Chamberlain S. G. . . 34608 1 2 A. Gohlke A. . . . 34608 1 3 A. Shafiq A. . . . 34608 1 4 I. Squires I. J. . . 34608 1 5 D. Owen D. . . . 34608 1 6 H. Mott H. R. . . 34608 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 34608 _Assembly.ID 1 _Assembly.Name 'Calmodulin-1, PRO-ASN-GLY-LYS-LYS-LYS-ARG-LYS-SER-LEU-ALA-LYS-ARG-ILE-ARG-GLU-ARG-CMF (E.C.3.6.5.2)' _Assembly.BMRB_code . _Assembly.Number_of_components . _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 unit_1 1 $entity_1 A A yes . . . . . . 34608 1 2 unit_2 2 $entity_2 B B yes . . . . . . 34608 1 3 unit_3 3 $entity_CA C A no . . . . . . 34608 1 4 unit_4 3 $entity_CA D A no . . . . . . 34608 1 5 unit_5 3 $entity_CA E A no . . . . . . 34608 1 6 unit_6 3 $entity_CA F A no . . . . . . 34608 1 7 unit_7 4 $entity_ULW G B no . . . . . . 34608 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity_1 _Entity.Sf_category entity _Entity.Sf_framecode entity_1 _Entity.Entry_ID 34608 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name entity_1 _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 ; MRGSHHHHHHGSMADQLTEE QIAEFKEAFSLFDKDGDGTI TTKELGTVMRSLGQNPTEAE LQDMINEVDADGNGTIDFPE FLTMMARKMKDTDSEEEIRE AFRVFDKDGNGYISAAELRH VMTNLGEKLTDEEVDEMIRE ADIDGDGQVNYEEFVQMMTA KGGSL ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states . _Entity.Ambiguous_chem_comp_sites . _Entity.Nstd_monomer no _Entity.Nstd_chirality . _Entity.Nstd_linkage no _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 165 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'not present' _Entity.Src_method man _Entity.Parent_entity_ID 1 _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 18572.418 _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 -12 MET . 34608 1 2 -11 ARG . 34608 1 3 -10 GLY . 34608 1 4 -9 SER . 34608 1 5 -8 HIS . 34608 1 6 -7 HIS . 34608 1 7 -6 HIS . 34608 1 8 -5 HIS . 34608 1 9 -4 HIS . 34608 1 10 -3 HIS . 34608 1 11 -2 GLY . 34608 1 12 -1 SER . 34608 1 13 0 MET . 34608 1 14 1 ALA . 34608 1 15 2 ASP . 34608 1 16 3 GLN . 34608 1 17 4 LEU . 34608 1 18 5 THR . 34608 1 19 6 GLU . 34608 1 20 7 GLU . 34608 1 21 8 GLN . 34608 1 22 9 ILE . 34608 1 23 10 ALA . 34608 1 24 11 GLU . 34608 1 25 12 PHE . 34608 1 26 13 LYS . 34608 1 27 14 GLU . 34608 1 28 15 ALA . 34608 1 29 16 PHE . 34608 1 30 17 SER . 34608 1 31 18 LEU . 34608 1 32 19 PHE . 34608 1 33 20 ASP . 34608 1 34 21 LYS . 34608 1 35 22 ASP . 34608 1 36 23 GLY . 34608 1 37 24 ASP . 34608 1 38 25 GLY . 34608 1 39 26 THR . 34608 1 40 27 ILE . 34608 1 41 28 THR . 34608 1 42 29 THR . 34608 1 43 30 LYS . 34608 1 44 31 GLU . 34608 1 45 32 LEU . 34608 1 46 33 GLY . 34608 1 47 34 THR . 34608 1 48 35 VAL . 34608 1 49 36 MET . 34608 1 50 37 ARG . 34608 1 51 38 SER . 34608 1 52 39 LEU . 34608 1 53 40 GLY . 34608 1 54 41 GLN . 34608 1 55 42 ASN . 34608 1 56 43 PRO . 34608 1 57 44 THR . 34608 1 58 45 GLU . 34608 1 59 46 ALA . 34608 1 60 47 GLU . 34608 1 61 48 LEU . 34608 1 62 49 GLN . 34608 1 63 50 ASP . 34608 1 64 51 MET . 34608 1 65 52 ILE . 34608 1 66 53 ASN . 34608 1 67 54 GLU . 34608 1 68 55 VAL . 34608 1 69 56 ASP . 34608 1 70 57 ALA . 34608 1 71 58 ASP . 34608 1 72 59 GLY . 34608 1 73 60 ASN . 34608 1 74 61 GLY . 34608 1 75 62 THR . 34608 1 76 63 ILE . 34608 1 77 64 ASP . 34608 1 78 65 PHE . 34608 1 79 66 PRO . 34608 1 80 67 GLU . 34608 1 81 68 PHE . 34608 1 82 69 LEU . 34608 1 83 70 THR . 34608 1 84 71 MET . 34608 1 85 72 MET . 34608 1 86 73 ALA . 34608 1 87 74 ARG . 34608 1 88 75 LYS . 34608 1 89 76 MET . 34608 1 90 77 LYS . 34608 1 91 78 ASP . 34608 1 92 79 THR . 34608 1 93 80 ASP . 34608 1 94 81 SER . 34608 1 95 82 GLU . 34608 1 96 83 GLU . 34608 1 97 84 GLU . 34608 1 98 85 ILE . 34608 1 99 86 ARG . 34608 1 100 87 GLU . 34608 1 101 88 ALA . 34608 1 102 89 PHE . 34608 1 103 90 ARG . 34608 1 104 91 VAL . 34608 1 105 92 PHE . 34608 1 106 93 ASP . 34608 1 107 94 LYS . 34608 1 108 95 ASP . 34608 1 109 96 GLY . 34608 1 110 97 ASN . 34608 1 111 98 GLY . 34608 1 112 99 TYR . 34608 1 113 100 ILE . 34608 1 114 101 SER . 34608 1 115 102 ALA . 34608 1 116 103 ALA . 34608 1 117 104 GLU . 34608 1 118 105 LEU . 34608 1 119 106 ARG . 34608 1 120 107 HIS . 34608 1 121 108 VAL . 34608 1 122 109 MET . 34608 1 123 110 THR . 34608 1 124 111 ASN . 34608 1 125 112 LEU . 34608 1 126 113 GLY . 34608 1 127 114 GLU . 34608 1 128 115 LYS . 34608 1 129 116 LEU . 34608 1 130 117 THR . 34608 1 131 118 ASP . 34608 1 132 119 GLU . 34608 1 133 120 GLU . 34608 1 134 121 VAL . 34608 1 135 122 ASP . 34608 1 136 123 GLU . 34608 1 137 124 MET . 34608 1 138 125 ILE . 34608 1 139 126 ARG . 34608 1 140 127 GLU . 34608 1 141 128 ALA . 34608 1 142 129 ASP . 34608 1 143 130 ILE . 34608 1 144 131 ASP . 34608 1 145 132 GLY . 34608 1 146 133 ASP . 34608 1 147 134 GLY . 34608 1 148 135 GLN . 34608 1 149 136 VAL . 34608 1 150 137 ASN . 34608 1 151 138 TYR . 34608 1 152 139 GLU . 34608 1 153 140 GLU . 34608 1 154 141 PHE . 34608 1 155 142 VAL . 34608 1 156 143 GLN . 34608 1 157 144 MET . 34608 1 158 145 MET . 34608 1 159 146 THR . 34608 1 160 147 ALA . 34608 1 161 148 LYS . 34608 1 162 149 GLY . 34608 1 163 150 GLY . 34608 1 164 151 SER . 34608 1 165 152 LEU . 34608 1 stop_ loop_ _Entity_poly_seq.Hetero _Entity_poly_seq.Mon_ID _Entity_poly_seq.Num _Entity_poly_seq.Comp_index_ID _Entity_poly_seq.Entry_ID _Entity_poly_seq.Entity_ID . MET 1 1 34608 1 . ARG 2 2 34608 1 . GLY 3 3 34608 1 . SER 4 4 34608 1 . HIS 5 5 34608 1 . HIS 6 6 34608 1 . HIS 7 7 34608 1 . HIS 8 8 34608 1 . HIS 9 9 34608 1 . HIS 10 10 34608 1 . GLY 11 11 34608 1 . SER 12 12 34608 1 . MET 13 13 34608 1 . ALA 14 14 34608 1 . ASP 15 15 34608 1 . GLN 16 16 34608 1 . LEU 17 17 34608 1 . THR 18 18 34608 1 . GLU 19 19 34608 1 . GLU 20 20 34608 1 . GLN 21 21 34608 1 . ILE 22 22 34608 1 . ALA 23 23 34608 1 . GLU 24 24 34608 1 . PHE 25 25 34608 1 . LYS 26 26 34608 1 . GLU 27 27 34608 1 . ALA 28 28 34608 1 . PHE 29 29 34608 1 . SER 30 30 34608 1 . LEU 31 31 34608 1 . PHE 32 32 34608 1 . ASP 33 33 34608 1 . LYS 34 34 34608 1 . ASP 35 35 34608 1 . GLY 36 36 34608 1 . ASP 37 37 34608 1 . GLY 38 38 34608 1 . THR 39 39 34608 1 . ILE 40 40 34608 1 . THR 41 41 34608 1 . THR 42 42 34608 1 . LYS 43 43 34608 1 . GLU 44 44 34608 1 . LEU 45 45 34608 1 . GLY 46 46 34608 1 . THR 47 47 34608 1 . VAL 48 48 34608 1 . MET 49 49 34608 1 . ARG 50 50 34608 1 . SER 51 51 34608 1 . LEU 52 52 34608 1 . GLY 53 53 34608 1 . GLN 54 54 34608 1 . ASN 55 55 34608 1 . PRO 56 56 34608 1 . THR 57 57 34608 1 . GLU 58 58 34608 1 . ALA 59 59 34608 1 . GLU 60 60 34608 1 . LEU 61 61 34608 1 . GLN 62 62 34608 1 . ASP 63 63 34608 1 . MET 64 64 34608 1 . ILE 65 65 34608 1 . ASN 66 66 34608 1 . GLU 67 67 34608 1 . VAL 68 68 34608 1 . ASP 69 69 34608 1 . ALA 70 70 34608 1 . ASP 71 71 34608 1 . GLY 72 72 34608 1 . ASN 73 73 34608 1 . GLY 74 74 34608 1 . THR 75 75 34608 1 . ILE 76 76 34608 1 . ASP 77 77 34608 1 . PHE 78 78 34608 1 . PRO 79 79 34608 1 . GLU 80 80 34608 1 . PHE 81 81 34608 1 . LEU 82 82 34608 1 . THR 83 83 34608 1 . MET 84 84 34608 1 . MET 85 85 34608 1 . ALA 86 86 34608 1 . ARG 87 87 34608 1 . LYS 88 88 34608 1 . MET 89 89 34608 1 . LYS 90 90 34608 1 . ASP 91 91 34608 1 . THR 92 92 34608 1 . ASP 93 93 34608 1 . SER 94 94 34608 1 . GLU 95 95 34608 1 . GLU 96 96 34608 1 . GLU 97 97 34608 1 . ILE 98 98 34608 1 . ARG 99 99 34608 1 . GLU 100 100 34608 1 . ALA 101 101 34608 1 . PHE 102 102 34608 1 . ARG 103 103 34608 1 . VAL 104 104 34608 1 . PHE 105 105 34608 1 . ASP 106 106 34608 1 . LYS 107 107 34608 1 . ASP 108 108 34608 1 . GLY 109 109 34608 1 . ASN 110 110 34608 1 . GLY 111 111 34608 1 . TYR 112 112 34608 1 . ILE 113 113 34608 1 . SER 114 114 34608 1 . ALA 115 115 34608 1 . ALA 116 116 34608 1 . GLU 117 117 34608 1 . LEU 118 118 34608 1 . ARG 119 119 34608 1 . HIS 120 120 34608 1 . VAL 121 121 34608 1 . MET 122 122 34608 1 . THR 123 123 34608 1 . ASN 124 124 34608 1 . LEU 125 125 34608 1 . GLY 126 126 34608 1 . GLU 127 127 34608 1 . LYS 128 128 34608 1 . LEU 129 129 34608 1 . THR 130 130 34608 1 . ASP 131 131 34608 1 . GLU 132 132 34608 1 . GLU 133 133 34608 1 . VAL 134 134 34608 1 . ASP 135 135 34608 1 . GLU 136 136 34608 1 . MET 137 137 34608 1 . ILE 138 138 34608 1 . ARG 139 139 34608 1 . GLU 140 140 34608 1 . ALA 141 141 34608 1 . ASP 142 142 34608 1 . ILE 143 143 34608 1 . ASP 144 144 34608 1 . GLY 145 145 34608 1 . ASP 146 146 34608 1 . GLY 147 147 34608 1 . GLN 148 148 34608 1 . VAL 149 149 34608 1 . ASN 150 150 34608 1 . TYR 151 151 34608 1 . GLU 152 152 34608 1 . GLU 153 153 34608 1 . PHE 154 154 34608 1 . VAL 155 155 34608 1 . GLN 156 156 34608 1 . MET 157 157 34608 1 . MET 158 158 34608 1 . THR 159 159 34608 1 . ALA 160 160 34608 1 . LYS 161 161 34608 1 . GLY 162 162 34608 1 . GLY 163 163 34608 1 . SER 164 164 34608 1 . LEU 165 165 34608 1 stop_ save_ save_entity_2 _Entity.Sf_category entity _Entity.Sf_framecode entity_2 _Entity.Entry_ID 34608 _Entity.ID 2 _Entity.BMRB_code . _Entity.Name entity_2 _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID B _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; PNGKKKRKSLAKRIRERC ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states . _Entity.Ambiguous_chem_comp_sites . _Entity.Nstd_monomer no _Entity.Nstd_chirality . _Entity.Nstd_linkage no _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 18 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state . _Entity.Src_method man _Entity.Parent_entity_ID 2 _Entity.Fragment . _Entity.Mutation . _Entity.EC_number 3.6.5.2 _Entity.Calc_isoelectric_point . _Entity.Formula_weight 2177.687 _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 . PRO . 34608 2 2 . ASN . 34608 2 3 . GLY . 34608 2 4 . LYS . 34608 2 5 . LYS . 34608 2 6 . LYS . 34608 2 7 . ARG . 34608 2 8 . LYS . 34608 2 9 . SER . 34608 2 10 . LEU . 34608 2 11 . ALA . 34608 2 12 . LYS . 34608 2 13 . ARG . 34608 2 14 . ILE . 34608 2 15 . ARG . 34608 2 16 . GLU . 34608 2 17 . ARG . 34608 2 18 . CYS . 34608 2 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 . PRO 1 1 34608 2 . ASN 2 2 34608 2 . GLY 3 3 34608 2 . LYS 4 4 34608 2 . LYS 5 5 34608 2 . LYS 6 6 34608 2 . ARG 7 7 34608 2 . LYS 8 8 34608 2 . SER 9 9 34608 2 . LEU 10 10 34608 2 . ALA 11 11 34608 2 . LYS 12 12 34608 2 . ARG 13 13 34608 2 . ILE 14 14 34608 2 . ARG 15 15 34608 2 . GLU 16 16 34608 2 . ARG 17 17 34608 2 . CYS 18 18 34608 2 stop_ save_ save_entity_CA _Entity.Sf_category entity _Entity.Sf_framecode entity_CA _Entity.Entry_ID 34608 _Entity.ID 3 _Entity.BMRB_code CA _Entity.Name entity_CA _Entity.Type non-polymer _Entity.Polymer_common_type . _Entity.Polymer_type . _Entity.Polymer_type_details . _Entity.Polymer_strand_ID . _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code . _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states . _Entity.Ambiguous_chem_comp_sites . _Entity.Nstd_monomer . _Entity.Nstd_chirality . _Entity.Nstd_linkage . _Entity.Nonpolymer_comp_ID CA _Entity.Nonpolymer_comp_label $chem_comp_CA _Entity.Number_of_monomers . _Entity.Number_of_nonpolymer_components 1 _Entity.Paramagnetic . _Entity.Thiol_state . _Entity.Src_method . _Entity.Parent_entity_ID 3 _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 40.078 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date . loop_ _Entity_common_name.Name _Entity_common_name.Type _Entity_common_name.Entry_ID _Entity_common_name.Entity_ID 'CALCIUM ION' BMRB 34608 3 stop_ loop_ _Entity_systematic_name.Name _Entity_systematic_name.Naming_system _Entity_systematic_name.Entry_ID _Entity_systematic_name.Entity_ID 'CALCIUM ION' BMRB 34608 3 CA 'Three letter code' 34608 3 stop_ loop_ _Entity_comp_index.ID _Entity_comp_index.Auth_seq_ID _Entity_comp_index.Comp_ID _Entity_comp_index.Comp_label _Entity_comp_index.Entry_ID _Entity_comp_index.Entity_ID 1 1 CA $chem_comp_CA 34608 3 stop_ save_ save_entity_ULW _Entity.Sf_category entity _Entity.Sf_framecode entity_ULW _Entity.Entry_ID 34608 _Entity.ID 4 _Entity.BMRB_code . _Entity.Name entity_ULW _Entity.Type non-polymer _Entity.Polymer_common_type . _Entity.Polymer_type . _Entity.Polymer_type_details . _Entity.Polymer_strand_ID . _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code . _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states . _Entity.Ambiguous_chem_comp_sites . _Entity.Nstd_monomer . _Entity.Nstd_chirality . _Entity.Nstd_linkage . _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers . _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic . _Entity.Thiol_state . _Entity.Src_method syn _Entity.Parent_entity_ID 4 _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 377.518 _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 1 301 ULW . 34608 4 stop_ save_ #################### # Natural source # #################### save_natural_source _Entity_natural_src_list.Sf_category natural_source _Entity_natural_src_list.Sf_framecode natural_source _Entity_natural_src_list.Entry_ID 34608 _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 $entity_1 . 10116 organism . 'Rattus norvegicus' Rat . . Eukaryota Metazoa Rattus norvegicus . . . . . . . . . . . 'Calm1, Calm, Cam, Cam1, CaMI' . 34608 1 2 2 $entity_2 . 9606 organism . 'Homo sapiens' Human . . Eukaryota Metazoa Homo sapiens . . . . . . . . . . . RalA . 34608 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 34608 _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 $entity_1 . 'recombinant technology' 'Escherichia coli BL21(DE3)' . . 469008 . . . . . plasmid . . pQE . . . 34608 1 2 2 $entity_2 . 'recombinant technology' 'Escherichia coli BL21' . . 511693 . . . . . pET31b . . . . . . 34608 1 stop_ save_ ################################# # Polymer residues and ligands # ################################# save_chem_comp_CA _Chem_comp.Sf_category chem_comp _Chem_comp.Sf_framecode chem_comp_CA _Chem_comp.Entry_ID 34608 _Chem_comp.ID CA _Chem_comp.Provenance PDB _Chem_comp.Name 'CALCIUM ION' _Chem_comp.Type NON-POLYMER _Chem_comp.BMRB_code CA _Chem_comp.PDB_code CA _Chem_comp.Ambiguous_flag no _Chem_comp.Initial_date 2020-07-10 _Chem_comp.Modified_date 2020-07-10 _Chem_comp.Release_status REL _Chem_comp.Replaced_by . _Chem_comp.Replaces . _Chem_comp.One_letter_code . _Chem_comp.Three_letter_code CA _Chem_comp.Number_atoms_all 1 _Chem_comp.Number_atoms_nh 1 _Chem_comp.Atom_nomenclature_source . _Chem_comp.PubChem_code . _Chem_comp.Subcomponent_list . _Chem_comp.InChI_code InChI=1S/Ca/q+2 _Chem_comp.Mon_nstd_flag no _Chem_comp.Mon_nstd_class . _Chem_comp.Mon_nstd_details . _Chem_comp.Mon_nstd_parent . _Chem_comp.Mon_nstd_parent_comp_ID . _Chem_comp.Std_deriv_one_letter_code . _Chem_comp.Std_deriv_three_letter_code . _Chem_comp.Std_deriv_BMRB_code . _Chem_comp.Std_deriv_PDB_code . _Chem_comp.Std_deriv_chem_comp_name . _Chem_comp.Synonyms . _Chem_comp.Formal_charge 2 _Chem_comp.Paramagnetic . _Chem_comp.Aromatic no _Chem_comp.Formula Ca _Chem_comp.Formula_weight 40.078 _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 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 BHPQYMZQTOCNFJ-UHFFFAOYSA-N InChIKey InChI 1.03 34608 CA InChI=1S/Ca/q+2 InChI InChI 1.03 34608 CA [Ca++] SMILES CACTVS 3.341 34608 CA [Ca++] SMILES_CANONICAL CACTVS 3.341 34608 CA [Ca+2] SMILES ACDLabs 10.04 34608 CA [Ca+2] SMILES 'OpenEye OEToolkits' 1.5.0 34608 CA [Ca+2] SMILES_CANONICAL 'OpenEye OEToolkits' 1.5.0 34608 CA 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 calcium 'SYSTEMATIC NAME' ACDLabs 10.04 34608 CA 'calcium(+2) cation' 'SYSTEMATIC NAME' 'OpenEye OEToolkits' 1.5.0 34608 CA 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 CA CA CA CA . CA . . N 2 . . . 0 N N . . . . 0.000 . 0.000 . 0.000 . 0.000 0.000 0.000 1 . 34608 CA stop_ save_ save_chem_comp_ULW _Chem_comp.Sf_category chem_comp _Chem_comp.Sf_framecode chem_comp_ULW _Chem_comp.Entry_ID 34608 _Chem_comp.ID ULW _Chem_comp.Provenance . _Chem_comp.Name '[(2~{Z},6~{Z})-3,7,11-trimethyldodeca-2,6-dienyl] 3-[2,5-bis(oxidanylidene)pyrrolidin-1-yl]propanoate' _Chem_comp.Type non-polymer _Chem_comp.BMRB_code . _Chem_comp.PDB_code ULW _Chem_comp.Ambiguous_flag . _Chem_comp.Initial_date . _Chem_comp.Modified_date . _Chem_comp.Release_status . _Chem_comp.Replaced_by . _Chem_comp.Replaces . _Chem_comp.One_letter_code . _Chem_comp.Three_letter_code . _Chem_comp.Number_atoms_all . _Chem_comp.Number_atoms_nh . _Chem_comp.Atom_nomenclature_source . _Chem_comp.PubChem_code . _Chem_comp.Subcomponent_list . _Chem_comp.InChI_code . _Chem_comp.Mon_nstd_flag no _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 . _Chem_comp.Paramagnetic . _Chem_comp.Aromatic . _Chem_comp.Formula 'C22 H35 N O4' _Chem_comp.Formula_weight 377.518 _Chem_comp.Formula_mono_iso_wt_nat . _Chem_comp.Formula_mono_iso_wt_13C . _Chem_comp.Formula_mono_iso_wt_15N . _Chem_comp.Formula_mono_iso_wt_13C_15N . _Chem_comp.Image_file_name . _Chem_comp.Image_file_format . _Chem_comp.Topo_file_name . _Chem_comp.Topo_file_format . _Chem_comp.Struct_file_name . _Chem_comp.Struct_file_format . _Chem_comp.Stereochem_param_file_name . _Chem_comp.Stereochem_param_file_format . _Chem_comp.Model_details . _Chem_comp.Model_erf . _Chem_comp.Model_source . _Chem_comp.Model_coordinates_details . _Chem_comp.Model_coordinates_missing_flag . _Chem_comp.Ideal_coordinates_details . _Chem_comp.Ideal_coordinates_missing_flag . _Chem_comp.Model_coordinates_db_code . _Chem_comp.Processing_site . _Chem_comp.Vendor . _Chem_comp.Vendor_product_code . _Chem_comp.Details . _Chem_comp.DB_query_date . _Chem_comp.DB_last_query_revised_last_date . save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 34608 _Sample.ID 1 _Sample.Name . _Sample.Type solution _Sample.Sub_type . _Sample.Details '0.8 mM [U-15N] Calmodulin, 0.8 mM NA RalA HVR, 90% H2O/10% D2O' _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 Calmodulin [U-15N] . . 1 $entity_1 . . 0.8 . . mM . . . . 34608 1 2 'RalA HVR' 'natural abundance' . . 2 $entity_2 . . 0.8 . . mM . . . . 34608 1 3 NaCl 'natural abundance' . . . . . . 100 . . mM . . . . 34608 1 4 CaCl2 'natural abundance' . . . . . . 8 . . mM . . . . 34608 1 5 MgCl2 'natural abundance' . . . . . . 1 . . mM . . . . 34608 1 stop_ save_ save_sample_2 _Sample.Sf_category sample _Sample.Sf_framecode sample_2 _Sample.Entry_ID 34608 _Sample.ID 2 _Sample.Name . _Sample.Type solution _Sample.Sub_type . _Sample.Details '1.1 mM U-15N, 13C Calmodulin, 1.1 mM NA RalA HVR, 90% H2O/10% D2O' _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 Calmodulin '[U-15N; U-13C]' . . 1 $entity_1 . . 1.1 . . mM . . . . 34608 2 2 'RalA HVR' 'natural abundance' . . 2 $entity_2 . . 1.1 . . mM . . . . 34608 2 3 NaCl 'natural abundance' . . . . . . 100 . . mM . . . . 34608 2 4 CaCl2 'natural abundance' . . . . . . 8 . . mM . . . . 34608 2 5 MgCl2 'natural abundance' . . . . . . 1 . . mM . . . . 34608 2 stop_ save_ save_sample_3 _Sample.Sf_category sample _Sample.Sf_framecode sample_3 _Sample.Entry_ID 34608 _Sample.ID 3 _Sample.Name . _Sample.Type solution _Sample.Sub_type . _Sample.Details '1.0 mM Calmodulin, 1.0 mM 15N,13C RalA HVR, 90% H2O/10% D2O' _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 Calmodulin 'natural abundance' . . 1 $entity_1 . . 1.0 . . mM . . . . 34608 3 2 'RalA HVR' '[U-15N; U-13C]' . . 2 $entity_2 . . 1.0 . . mM . . . . 34608 3 3 NaCl 'natural abundance' . . . . . . 100 . . mM . . . . 34608 3 4 CaCl2 'natural abundance' . . . . . . 8 . . mM . . . . 34608 3 5 MgCl2 'natural abundance' . . . . . . 1 . . mM . . . . 34608 3 stop_ save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode sample_conditions_1 _Sample_condition_list.Entry_ID 34608 _Sample_condition_list.ID 1 _Sample_condition_list.Name . _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' 109 . mM 34608 1 pH 6.7 . pH 34608 1 pressure 1 . atm 34608 1 temperature 298 . K 34608 1 stop_ save_ ############################ # Computer software used # ############################ save_software_1 _Software.Sf_category software _Software.Sf_framecode software_1 _Software.Entry_ID 34608 _Software.ID 1 _Software.Type . _Software.Name CNS _Software.Version . _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Brunger A. T. et.al.' . . 34608 1 stop_ loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID refinement . 34608 1 stop_ save_ save_software_2 _Software.Sf_category software _Software.Sf_framecode software_2 _Software.Entry_ID 34608 _Software.ID 2 _Software.Type . _Software.Name ARIA _Software.Version . _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID "Linge, O'Donoghue and Nilges" . . 34608 2 stop_ loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID 'structure calculation' . 34608 2 stop_ save_ save_software_3 _Software.Sf_category software _Software.Sf_framecode software_3 _Software.Entry_ID 34608 _Software.ID 3 _Software.Type . _Software.Name 'CcpNmr Analysis' _Software.Version . _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID CCPN . . 34608 3 stop_ loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' . 34608 3 'peak picking' . 34608 3 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_NMR_spectrometer_1 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer_1 _NMR_spectrometer.Entry_ID 34608 _NMR_spectrometer.ID 1 _NMR_spectrometer.Name . _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model AVANCE _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 800 save_ save_NMR_spectrometer_2 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer_2 _NMR_spectrometer.Entry_ID 34608 _NMR_spectrometer.ID 2 _NMR_spectrometer.Name . _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model AVANCE _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 950 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 34608 _NMR_spectrometer_list.ID 1 _NMR_spectrometer_list.Name . 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 NMR_spectrometer_1 Bruker AVANCE . 800 . . . 34608 1 2 NMR_spectrometer_2 Bruker AVANCE . 950 . . . 34608 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 34608 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NUS_flag _Experiment.Interleaved_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.Details _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 '3D 1H-15N NOESY' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 34608 1 2 '3D HNCA' no . . . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 34608 1 3 '3D HNCACB' no . . . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 34608 1 4 '3D 1H-13C NOESY' no . . . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 34608 1 5 '3D HCCH-TOCSY' no . . . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 34608 1 6 '2D 1H-13C HSQC' no . . . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 34608 1 7 '3D 13C Filtered, 13C Edited NOESY' no . . . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 34608 1 8 '3D 1H-13C NOESY' no . . . . . . . . . . . . 3 $sample_3 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 34608 1 9 '2D 1H-13C HSQC' no . . . . . . . . . . . . 3 $sample_3 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 34608 1 10 '3D 13C Filtered, 13C Edited NOESY' no . . . . . . . . . . . . 3 $sample_3 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 34608 1 11 '3D HN(CO)CA' no . . . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 34608 1 12 '3D HN(COCA)CB' no . . . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 34608 1 stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chem_shift_reference_1 _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chem_shift_reference_1 _Chem_shift_reference.Entry_ID 34608 _Chem_shift_reference.ID 1 _Chem_shift_reference.Name . _Chem_shift_reference.Details . loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C 13 DSS 'methyl protons' . . . . ppm 0 external direct 0.251449530 . . . . . 34608 1 H 1 DSS 'methyl protons' . . . . ppm 0 external direct 1 . . . . . 34608 1 N 15 DSS 'methyl protons' . . . . ppm 0 external direct 0.101329118 . . . . . 34608 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_chemical_shifts_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chemical_shifts_1 _Assigned_chem_shift_list.Entry_ID 34608 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Name . _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 $chem_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 '3D 1H-15N NOESY' . . . 34608 1 2 '3D HNCA' . . . 34608 1 3 '3D HNCACB' . . . 34608 1 4 '3D 1H-13C NOESY' . . . 34608 1 5 '3D HCCH-TOCSY' . . . 34608 1 6 '2D 1H-13C HSQC' . . . 34608 1 7 '3D 13C Filtered, 13C Edited NOESY' . . . 34608 1 8 '3D 1H-13C NOESY' . . . 34608 1 9 '2D 1H-13C HSQC' . . . 34608 1 10 '3D 13C Filtered, 13C Edited NOESY' . . . 34608 1 11 '3D HN(CO)CA' . . . 34608 1 12 '3D HN(COCA)CB' . . . 34608 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_assembly_asym_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 12 12 SER H H 1 8.327 0.008 . 1 . . 683 . A -1 SER H . 34608 1 2 . 1 . 1 12 12 SER HA H 1 4.435 0.001 . 1 . . 1879 . A -1 SER HA . 34608 1 3 . 1 . 1 12 12 SER HB2 H 1 3.859 0.003 . 2 . . 1875 . A -1 SER HB2 . 34608 1 4 . 1 . 1 12 12 SER HB3 H 1 3.759 0.001 . 2 . . 1877 . A -1 SER HB3 . 34608 1 5 . 1 . 1 12 12 SER CA C 13 58.057 0.021 . 1 . . 1878 . A -1 SER CA . 34608 1 6 . 1 . 1 12 12 SER CB C 13 64.065 0.012 . 1 . . 1876 . A -1 SER CB . 34608 1 7 . 1 . 1 12 12 SER N N 15 115.379 . . 1 . . 684 . A -1 SER N . 34608 1 8 . 1 . 1 13 13 MET H H 1 8.539 0.009 . 1 . . 1880 . A 0 MET H . 34608 1 9 . 1 . 1 13 13 MET HA H 1 4.343 0.001 . 1 . . 2048 . A 0 MET HA . 34608 1 10 . 1 . 1 13 13 MET HB2 H 1 1.892 . . 2 . . 2050 . A 0 MET HB2 . 34608 1 11 . 1 . 1 13 13 MET HB3 H 1 1.964 0.003 . 2 . . 2052 . A 0 MET HB3 . 34608 1 12 . 1 . 1 13 13 MET HG2 H 1 2.408 0.002 . 2 . . 2053 . A 0 MET HG2 . 34608 1 13 . 1 . 1 13 13 MET HG3 H 1 2.477 0.001 . 2 . . 2055 . A 0 MET HG3 . 34608 1 14 . 1 . 1 13 13 MET CA C 13 56.257 0.04 . 1 . . 2049 . A 0 MET CA . 34608 1 15 . 1 . 1 13 13 MET CB C 13 32.414 0.111 . 1 . . 2051 . A 0 MET CB . 34608 1 16 . 1 . 1 13 13 MET CG C 13 32.283 0.058 . 1 . . 2054 . A 0 MET CG . 34608 1 17 . 1 . 1 13 13 MET N N 15 122.143 . . 1 . . 1881 . A 0 MET N . 34608 1 18 . 1 . 1 14 14 ALA H H 1 8.197 0.009 . 1 . . 20 . A 1 ALA H . 34608 1 19 . 1 . 1 14 14 ALA HA H 1 3.994 0.001 . 1 . . 856 . A 1 ALA HA . 34608 1 20 . 1 . 1 14 14 ALA HB1 H 1 1.237 0.003 . 1 . . 857 . A 1 ALA HB1 . 34608 1 21 . 1 . 1 14 14 ALA HB2 H 1 1.237 0.003 . 1 . . 857 . A 1 ALA HB2 . 34608 1 22 . 1 . 1 14 14 ALA HB3 H 1 1.237 0.003 . 1 . . 857 . A 1 ALA HB3 . 34608 1 23 . 1 . 1 14 14 ALA CA C 13 53.665 0.051 . 1 . . 777 . A 1 ALA CA . 34608 1 24 . 1 . 1 14 14 ALA CB C 13 18.759 0.032 . 1 . . 621 . A 1 ALA CB . 34608 1 25 . 1 . 1 14 14 ALA N N 15 122.299 . . 1 . . 544 . A 1 ALA N . 34608 1 26 . 1 . 1 15 15 ASP H H 1 7.915 0.009 . 1 . . 243 . A 2 ASP H . 34608 1 27 . 1 . 1 15 15 ASP HA H 1 4.439 0.002 . 1 . . 858 . A 2 ASP HA . 34608 1 28 . 1 . 1 15 15 ASP HB2 H 1 2.621 0.001 . 2 . . 859 . A 2 ASP HB2 . 34608 1 29 . 1 . 1 15 15 ASP HB3 H 1 2.621 0.001 . 2 . . 860 . A 2 ASP HB3 . 34608 1 30 . 1 . 1 15 15 ASP CA C 13 54.991 0.094 . 1 . . 552 . A 2 ASP CA . 34608 1 31 . 1 . 1 15 15 ASP CB C 13 40.723 0.015 . 1 . . 622 . A 2 ASP CB . 34608 1 32 . 1 . 1 15 15 ASP N N 15 116.490 . . 1 . . 244 . A 2 ASP N . 34608 1 33 . 1 . 1 16 16 GLN H H 1 7.793 0.01 . 1 . . 234 . A 3 GLN H . 34608 1 34 . 1 . 1 16 16 GLN HA H 1 4.296 0.002 . 1 . . 863 . A 3 GLN HA . 34608 1 35 . 1 . 1 16 16 GLN HB2 H 1 2.128 0.005 . 2 . . 864 . A 3 GLN HB2 . 34608 1 36 . 1 . 1 16 16 GLN HB3 H 1 1.906 0.002 . 2 . . 865 . A 3 GLN HB3 . 34608 1 37 . 1 . 1 16 16 GLN HG2 H 1 2.267 0.001 . 1 . . 866 . A 3 GLN HG2 . 34608 1 38 . 1 . 1 16 16 GLN HG3 H 1 2.267 0.001 . 1 . . 867 . A 3 GLN HG3 . 34608 1 39 . 1 . 1 16 16 GLN HE21 H 1 6.748 0.002 . 1 . . 1776 . A 3 GLN HE21 . 34608 1 40 . 1 . 1 16 16 GLN HE22 H 1 7.427 0.002 . 1 . . 2086 . A 3 GLN HE22 . 34608 1 41 . 1 . 1 16 16 GLN CA C 13 55.391 0.035 . 1 . . 861 . A 3 GLN CA . 34608 1 42 . 1 . 1 16 16 GLN CB C 13 29.635 0.059 . 1 . . 862 . A 3 GLN CB . 34608 1 43 . 1 . 1 16 16 GLN CG C 13 33.767 0.044 . 1 . . 868 . A 3 GLN CG . 34608 1 44 . 1 . 1 16 16 GLN N N 15 117.291 . . 1 . . 235 . A 3 GLN N . 34608 1 45 . 1 . 1 17 17 LEU H H 1 7.731 0.01 . 1 . . 1874 . A 4 LEU H . 34608 1 46 . 1 . 1 17 17 LEU HA H 1 4.605 0.003 . 1 . . 869 . A 4 LEU HA . 34608 1 47 . 1 . 1 17 17 LEU HB2 H 1 1.440 0.003 . 2 . . 872 . A 4 LEU HB2 . 34608 1 48 . 1 . 1 17 17 LEU HB3 H 1 1.738 0.004 . 2 . . 873 . A 4 LEU HB3 . 34608 1 49 . 1 . 1 17 17 LEU HG H 1 1.730 0.007 . 1 . . 875 . A 4 LEU HG . 34608 1 50 . 1 . 1 17 17 LEU HD11 H 1 0.834 0.002 . 2 . . 870 . A 4 LEU HD11 . 34608 1 51 . 1 . 1 17 17 LEU HD12 H 1 0.834 0.002 . 2 . . 870 . A 4 LEU HD12 . 34608 1 52 . 1 . 1 17 17 LEU HD13 H 1 0.834 0.002 . 2 . . 870 . A 4 LEU HD13 . 34608 1 53 . 1 . 1 17 17 LEU HD21 H 1 0.867 0.008 . 2 . . 871 . A 4 LEU HD21 . 34608 1 54 . 1 . 1 17 17 LEU HD22 H 1 0.867 0.008 . 2 . . 871 . A 4 LEU HD22 . 34608 1 55 . 1 . 1 17 17 LEU HD23 H 1 0.867 0.008 . 2 . . 871 . A 4 LEU HD23 . 34608 1 56 . 1 . 1 17 17 LEU CA C 13 54.213 0.09 . 1 . . 553 . A 4 LEU CA . 34608 1 57 . 1 . 1 17 17 LEU CB C 13 43.514 0.08 . 1 . . 623 . A 4 LEU CB . 34608 1 58 . 1 . 1 17 17 LEU CG C 13 26.879 0.051 . 1 . . 877 . A 4 LEU CG . 34608 1 59 . 1 . 1 17 17 LEU CD1 C 13 23.485 0.02 . 2 . . 874 . A 4 LEU CD1 . 34608 1 60 . 1 . 1 17 17 LEU CD2 C 13 27.142 0.038 . 2 . . 876 . A 4 LEU CD2 . 34608 1 61 . 1 . 1 17 17 LEU N N 15 121.183 . . 1 . . 1873 . A 4 LEU N . 34608 1 62 . 1 . 1 18 18 THR H H 1 8.709 0.014 . 1 . . 96 . A 5 THR H . 34608 1 63 . 1 . 1 18 18 THR HA H 1 4.399 0.006 . 1 . . 879 . A 5 THR HA . 34608 1 64 . 1 . 1 18 18 THR HG21 H 1 1.259 0.004 . 1 . . 878 . A 5 THR HG21 . 34608 1 65 . 1 . 1 18 18 THR HG22 H 1 1.259 0.004 . 1 . . 878 . A 5 THR HG22 . 34608 1 66 . 1 . 1 18 18 THR HG23 H 1 1.259 0.004 . 1 . . 878 . A 5 THR HG23 . 34608 1 67 . 1 . 1 18 18 THR CA C 13 60.430 0.082 . 1 . . 554 . A 5 THR CA . 34608 1 68 . 1 . 1 18 18 THR CG2 C 13 21.797 0.014 . 1 . . 880 . A 5 THR CG2 . 34608 1 69 . 1 . 1 18 18 THR N N 15 112.453 . . 1 . . 97 . A 5 THR N . 34608 1 70 . 1 . 1 19 19 GLU H H 1 8.984 0.008 . 1 . . 35 . A 6 GLU H . 34608 1 71 . 1 . 1 19 19 GLU HA H 1 3.903 0.01 . 1 . . 881 . A 6 GLU HA . 34608 1 72 . 1 . 1 19 19 GLU HB2 H 1 1.981 0.004 . 2 . . 882 . A 6 GLU HB2 . 34608 1 73 . 1 . 1 19 19 GLU HB3 H 1 1.982 0.003 . 2 . . 883 . A 6 GLU HB3 . 34608 1 74 . 1 . 1 19 19 GLU HG2 H 1 2.265 0.002 . 2 . . 888 . A 6 GLU HG2 . 34608 1 75 . 1 . 1 19 19 GLU HG3 H 1 2.339 0.004 . 2 . . 1585 . A 6 GLU HG3 . 34608 1 76 . 1 . 1 19 19 GLU CA C 13 60.010 0.023 . 1 . . 555 . A 6 GLU CA . 34608 1 77 . 1 . 1 19 19 GLU CB C 13 29.180 0.089 . 1 . . 625 . A 6 GLU CB . 34608 1 78 . 1 . 1 19 19 GLU CG C 13 36.526 0.06 . 1 . . 887 . A 6 GLU CG . 34608 1 79 . 1 . 1 19 19 GLU N N 15 120.190 . . 1 . . 36 . A 6 GLU N . 34608 1 80 . 1 . 1 20 20 GLU H H 1 8.670 0.014 . 1 . . 129 . A 7 GLU H . 34608 1 81 . 1 . 1 20 20 GLU HA H 1 3.990 0.003 . 1 . . 885 . A 7 GLU HA . 34608 1 82 . 1 . 1 20 20 GLU HB2 H 1 1.975 0.002 . 2 . . 886 . A 7 GLU HB2 . 34608 1 83 . 1 . 1 20 20 GLU HB3 H 1 1.847 0.0 . 2 . . 1586 . A 7 GLU HB3 . 34608 1 84 . 1 . 1 20 20 GLU HG2 H 1 2.215 0.0 . 2 . . 890 . A 7 GLU HG2 . 34608 1 85 . 1 . 1 20 20 GLU HG3 H 1 2.280 0.002 . 2 . . 1836 . A 7 GLU HG3 . 34608 1 86 . 1 . 1 20 20 GLU CA C 13 59.911 0.048 . 1 . . 556 . A 7 GLU CA . 34608 1 87 . 1 . 1 20 20 GLU CB C 13 29.130 0.066 . 1 . . 884 . A 7 GLU CB . 34608 1 88 . 1 . 1 20 20 GLU CG C 13 36.701 0.04 . 1 . . 889 . A 7 GLU CG . 34608 1 89 . 1 . 1 20 20 GLU N N 15 119.255 . . 1 . . 130 . A 7 GLU N . 34608 1 90 . 1 . 1 21 21 GLN H H 1 7.698 0.017 . 1 . . 166 . A 8 GLN H . 34608 1 91 . 1 . 1 21 21 GLN HA H 1 3.793 0.008 . 1 . . 1918 . A 8 GLN HA . 34608 1 92 . 1 . 1 21 21 GLN HB3 H 1 1.598 0.006 . 1 . . 1940 . A 8 GLN HB3 . 34608 1 93 . 1 . 1 21 21 GLN HG2 H 1 2.226 0.002 . 2 . . 1935 . A 8 GLN HG2 . 34608 1 94 . 1 . 1 21 21 GLN HG3 H 1 2.280 0.003 . 2 . . 1939 . A 8 GLN HG3 . 34608 1 95 . 1 . 1 21 21 GLN HE21 H 1 7.429 0.005 . 1 . . 1937 . A 8 GLN HE21 . 34608 1 96 . 1 . 1 21 21 GLN HE22 H 1 6.698 0.005 . 1 . . 1938 . A 8 GLN HE22 . 34608 1 97 . 1 . 1 21 21 GLN CA C 13 58.631 0.087 . 1 . . 1919 . A 8 GLN CA . 34608 1 98 . 1 . 1 21 21 GLN CB C 13 29.128 0.044 . 1 . . 1941 . A 8 GLN CB . 34608 1 99 . 1 . 1 21 21 GLN CG C 13 34.863 0.056 . 1 . . 1936 . A 8 GLN CG . 34608 1 100 . 1 . 1 21 21 GLN N N 15 119.996 . . 1 . . 167 . A 8 GLN N . 34608 1 101 . 1 . 1 22 22 ILE H H 1 8.368 0.009 . 1 . . 48 . A 9 ILE H . 34608 1 102 . 1 . 1 22 22 ILE HA H 1 3.630 0.004 . 1 . . 891 . A 9 ILE HA . 34608 1 103 . 1 . 1 22 22 ILE HB H 1 1.885 0.003 . 1 . . 893 . A 9 ILE HB . 34608 1 104 . 1 . 1 22 22 ILE HG12 H 1 1.010 0.005 . 2 . . 896 . A 9 ILE HG12 . 34608 1 105 . 1 . 1 22 22 ILE HG13 H 1 1.755 0.001 . 2 . . 897 . A 9 ILE HG13 . 34608 1 106 . 1 . 1 22 22 ILE HG21 H 1 1.045 0.006 . 1 . . 892 . A 9 ILE HG21 . 34608 1 107 . 1 . 1 22 22 ILE HG22 H 1 1.045 0.006 . 1 . . 892 . A 9 ILE HG22 . 34608 1 108 . 1 . 1 22 22 ILE HG23 H 1 1.045 0.006 . 1 . . 892 . A 9 ILE HG23 . 34608 1 109 . 1 . 1 22 22 ILE HD11 H 1 0.793 0.003 . 1 . . 894 . A 9 ILE HD11 . 34608 1 110 . 1 . 1 22 22 ILE HD12 H 1 0.793 0.003 . 1 . . 894 . A 9 ILE HD12 . 34608 1 111 . 1 . 1 22 22 ILE HD13 H 1 0.793 0.003 . 1 . . 894 . A 9 ILE HD13 . 34608 1 112 . 1 . 1 22 22 ILE CA C 13 66.237 0.046 . 1 . . 557 . A 9 ILE CA . 34608 1 113 . 1 . 1 22 22 ILE CB C 13 37.742 0.031 . 1 . . 626 . A 9 ILE CB . 34608 1 114 . 1 . 1 22 22 ILE CG1 C 13 30.283 0.08 . 1 . . 895 . A 9 ILE CG1 . 34608 1 115 . 1 . 1 22 22 ILE CG2 C 13 17.369 0.012 . 1 . . 898 . A 9 ILE CG2 . 34608 1 116 . 1 . 1 22 22 ILE CD1 C 13 12.948 0.041 . 1 . . 899 . A 9 ILE CD1 . 34608 1 117 . 1 . 1 22 22 ILE N N 15 119.344 . . 1 . . 49 . A 9 ILE N . 34608 1 118 . 1 . 1 23 23 ALA H H 1 7.941 0.009 . 1 . . 136 . A 10 ALA H . 34608 1 119 . 1 . 1 23 23 ALA HA H 1 4.061 0.002 . 1 . . 901 . A 10 ALA HA . 34608 1 120 . 1 . 1 23 23 ALA HB1 H 1 1.455 0.001 . 1 . . 900 . A 10 ALA HB1 . 34608 1 121 . 1 . 1 23 23 ALA HB2 H 1 1.455 0.001 . 1 . . 900 . A 10 ALA HB2 . 34608 1 122 . 1 . 1 23 23 ALA HB3 H 1 1.455 0.001 . 1 . . 900 . A 10 ALA HB3 . 34608 1 123 . 1 . 1 23 23 ALA CA C 13 55.391 0.03 . 1 . . 611 . A 10 ALA CA . 34608 1 124 . 1 . 1 23 23 ALA CB C 13 17.804 0.014 . 1 . . 627 . A 10 ALA CB . 34608 1 125 . 1 . 1 23 23 ALA N N 15 120.930 . . 1 . . 137 . A 10 ALA N . 34608 1 126 . 1 . 1 24 24 GLU H H 1 7.731 0.013 . 1 . . 180 . A 11 GLU H . 34608 1 127 . 1 . 1 24 24 GLU HA H 1 4.076 0.004 . 1 . . 1967 . A 11 GLU HA . 34608 1 128 . 1 . 1 24 24 GLU HB2 H 1 1.838 0.002 . 2 . . 1964 . A 11 GLU HB2 . 34608 1 129 . 1 . 1 24 24 GLU HB3 H 1 1.966 0.001 . 2 . . 1966 . A 11 GLU HB3 . 34608 1 130 . 1 . 1 24 24 GLU HG2 H 1 2.076 0.002 . 2 . . 1962 . A 11 GLU HG2 . 34608 1 131 . 1 . 1 24 24 GLU HG3 H 1 2.345 0.01 . 2 . . 1963 . A 11 GLU HG3 . 34608 1 132 . 1 . 1 24 24 GLU CA C 13 59.269 0.049 . 1 . . 1968 . A 11 GLU CA . 34608 1 133 . 1 . 1 24 24 GLU CB C 13 29.121 0.073 . 1 . . 1965 . A 11 GLU CB . 34608 1 134 . 1 . 1 24 24 GLU CG C 13 36.073 0.067 . 1 . . 1961 . A 11 GLU CG . 34608 1 135 . 1 . 1 24 24 GLU N N 15 119.464 . . 1 . . 1960 . A 11 GLU N . 34608 1 136 . 1 . 1 25 25 PHE H H 1 8.533 0.002 . 1 . . 37 . A 12 PHE H . 34608 1 137 . 1 . 1 25 25 PHE HA H 1 4.976 0.002 . 1 . . 1379 . A 12 PHE HA . 34608 1 138 . 1 . 1 25 25 PHE HB2 H 1 3.383 0.005 . 1 . . 1797 . A 12 PHE HB2 . 34608 1 139 . 1 . 1 25 25 PHE HD1 H 1 7.109 0.005 . 1 . . 1525 . A 12 PHE HD1 . 34608 1 140 . 1 . 1 25 25 PHE HD2 H 1 7.109 0.005 . 1 . . 1525 . A 12 PHE HD2 . 34608 1 141 . 1 . 1 25 25 PHE HE1 H 1 7.167 0.015 . 1 . . 1955 . A 12 PHE HE1 . 34608 1 142 . 1 . 1 25 25 PHE HE2 H 1 7.167 0.015 . 1 . . 1955 . A 12 PHE HE2 . 34608 1 143 . 1 . 1 25 25 PHE HZ H 1 7.271 0.005 . 1 . . 1930 . A 12 PHE HZ . 34608 1 144 . 1 . 1 25 25 PHE CA C 13 59.146 0.028 . 1 . . 558 . A 12 PHE CA . 34608 1 145 . 1 . 1 25 25 PHE CB C 13 37.794 0.043 . 1 . . 1796 . A 12 PHE CB . 34608 1 146 . 1 . 1 25 25 PHE CD1 C 13 130.343 0.058 . 1 . . 1566 . A 12 PHE CD1 . 34608 1 147 . 1 . 1 25 25 PHE CD2 C 13 130.343 0.058 . 1 . . 1566 . A 12 PHE CD2 . 34608 1 148 . 1 . 1 25 25 PHE CE1 C 13 131.256 0.069 . 1 . . 1956 . A 12 PHE CE1 . 34608 1 149 . 1 . 1 25 25 PHE CE2 C 13 131.256 0.069 . 1 . . 1956 . A 12 PHE CE2 . 34608 1 150 . 1 . 1 25 25 PHE CZ C 13 129.737 0.103 . 1 . . 1931 . A 12 PHE CZ . 34608 1 151 . 1 . 1 25 25 PHE N N 15 119.235 . . 1 . . 38 . A 12 PHE N . 34608 1 152 . 1 . 1 26 26 LYS H H 1 9.168 0.007 . 1 . . 181 . A 13 LYS H . 34608 1 153 . 1 . 1 26 26 LYS HA H 1 3.955 0.002 . 1 . . 902 . A 13 LYS HA . 34608 1 154 . 1 . 1 26 26 LYS HB2 H 1 1.857 0.001 . 2 . . 905 . A 13 LYS HB2 . 34608 1 155 . 1 . 1 26 26 LYS HB3 H 1 1.858 0.0 . 2 . . 1783 . A 13 LYS HB3 . 34608 1 156 . 1 . 1 26 26 LYS HG2 H 1 0.971 0.002 . 2 . . 903 . A 13 LYS HG2 . 34608 1 157 . 1 . 1 26 26 LYS HG3 H 1 1.133 0.008 . 2 . . 904 . A 13 LYS HG3 . 34608 1 158 . 1 . 1 26 26 LYS HD2 H 1 1.160 0.005 . 2 . . 906 . A 13 LYS HD2 . 34608 1 159 . 1 . 1 26 26 LYS HD3 H 1 1.287 0.001 . 2 . . 907 . A 13 LYS HD3 . 34608 1 160 . 1 . 1 26 26 LYS HE2 H 1 2.502 0.002 . 1 . . 908 . A 13 LYS HE2 . 34608 1 161 . 1 . 1 26 26 LYS CA C 13 60.101 0.014 . 1 . . 559 . A 13 LYS CA . 34608 1 162 . 1 . 1 26 26 LYS CB C 13 31.860 0.016 . 1 . . 628 . A 13 LYS CB . 34608 1 163 . 1 . 1 26 26 LYS CG C 13 25.480 0.023 . 1 . . 909 . A 13 LYS CG . 34608 1 164 . 1 . 1 26 26 LYS CD C 13 28.745 0.024 . 1 . . 910 . A 13 LYS CD . 34608 1 165 . 1 . 1 26 26 LYS CE C 13 41.724 0.027 . 1 . . 911 . A 13 LYS CE . 34608 1 166 . 1 . 1 26 26 LYS N N 15 123.495 . . 1 . . 182 . A 13 LYS N . 34608 1 167 . 1 . 1 27 27 GLU H H 1 7.706 0.011 . 1 . . 39 . A 14 GLU H . 34608 1 168 . 1 . 1 27 27 GLU HA H 1 4.076 0.004 . 1 . . 1588 . A 14 GLU HA . 34608 1 169 . 1 . 1 27 27 GLU HB2 H 1 2.124 0.001 . 2 . . 1540 . A 14 GLU HB2 . 34608 1 170 . 1 . 1 27 27 GLU HB3 H 1 2.171 0.003 . 2 . . 1541 . A 14 GLU HB3 . 34608 1 171 . 1 . 1 27 27 GLU HG2 H 1 2.233 0.0 . 2 . . 1590 . A 14 GLU HG2 . 34608 1 172 . 1 . 1 27 27 GLU HG3 H 1 2.351 0.001 . 2 . . 1592 . A 14 GLU HG3 . 34608 1 173 . 1 . 1 27 27 GLU CA C 13 59.250 0.043 . 1 . . 1589 . A 14 GLU CA . 34608 1 174 . 1 . 1 27 27 GLU CB C 13 29.130 0.066 . 1 . . 1587 . A 14 GLU CB . 34608 1 175 . 1 . 1 27 27 GLU CG C 13 36.068 0.008 . 1 . . 1591 . A 14 GLU CG . 34608 1 176 . 1 . 1 27 27 GLU N N 15 120.271 . . 1 . . 40 . A 14 GLU N . 34608 1 177 . 1 . 1 28 28 ALA H H 1 7.943 0.014 . 1 . . 1819 . A 15 ALA H . 34608 1 178 . 1 . 1 28 28 ALA HA H 1 4.217 0.003 . 1 . . 912 . A 15 ALA HA . 34608 1 179 . 1 . 1 28 28 ALA HB1 H 1 1.904 0.003 . 1 . . 913 . A 15 ALA HB1 . 34608 1 180 . 1 . 1 28 28 ALA HB2 H 1 1.904 0.003 . 1 . . 913 . A 15 ALA HB2 . 34608 1 181 . 1 . 1 28 28 ALA HB3 H 1 1.904 0.003 . 1 . . 913 . A 15 ALA HB3 . 34608 1 182 . 1 . 1 28 28 ALA CA C 13 55.317 0.031 . 1 . . 560 . A 15 ALA CA . 34608 1 183 . 1 . 1 28 28 ALA CB C 13 18.031 0.059 . 1 . . 914 . A 15 ALA CB . 34608 1 184 . 1 . 1 28 28 ALA N N 15 121.559 . . 1 . . 233 . A 15 ALA N . 34608 1 185 . 1 . 1 29 29 PHE H H 1 8.795 0.008 . 1 . . 46 . A 16 PHE H . 34608 1 186 . 1 . 1 29 29 PHE HA H 1 3.140 0.001 . 1 . . 915 . A 16 PHE HA . 34608 1 187 . 1 . 1 29 29 PHE HB2 H 1 2.872 0.005 . 2 . . 1842 . A 16 PHE HB2 . 34608 1 188 . 1 . 1 29 29 PHE HB3 H 1 3.122 0.003 . 2 . . 2082 . A 16 PHE HB3 . 34608 1 189 . 1 . 1 29 29 PHE HD1 H 1 6.550 0.006 . 1 . . 1795 . A 16 PHE HD1 . 34608 1 190 . 1 . 1 29 29 PHE HD2 H 1 6.550 0.006 . 1 . . 1795 . A 16 PHE HD2 . 34608 1 191 . 1 . 1 29 29 PHE HE1 H 1 6.935 0.009 . 1 . . 2080 . A 16 PHE HE1 . 34608 1 192 . 1 . 1 29 29 PHE HE2 H 1 6.935 0.009 . 1 . . 2080 . A 16 PHE HE2 . 34608 1 193 . 1 . 1 29 29 PHE HZ H 1 7.118 0.004 . 1 . . 2081 . A 16 PHE HZ . 34608 1 194 . 1 . 1 29 29 PHE CA C 13 61.983 0.02 . 1 . . 561 . A 16 PHE CA . 34608 1 195 . 1 . 1 29 29 PHE CB C 13 39.547 0.113 . 1 . . 1841 . A 16 PHE CB . 34608 1 196 . 1 . 1 29 29 PHE CD1 C 13 131.792 0.037 . 1 . . 1794 . A 16 PHE CD1 . 34608 1 197 . 1 . 1 29 29 PHE CD2 C 13 131.792 0.037 . 1 . . 1794 . A 16 PHE CD2 . 34608 1 198 . 1 . 1 29 29 PHE CE1 C 13 131.056 0.032 . 1 . . 1843 . A 16 PHE CE1 . 34608 1 199 . 1 . 1 29 29 PHE CE2 C 13 131.056 0.032 . 1 . . 1843 . A 16 PHE CE2 . 34608 1 200 . 1 . 1 29 29 PHE CZ C 13 129.470 0.07 . 1 . . 1957 . A 16 PHE CZ . 34608 1 201 . 1 . 1 29 29 PHE N N 15 119.083 . . 1 . . 47 . A 16 PHE N . 34608 1 202 . 1 . 1 30 30 SER H H 1 7.847 0.013 . 1 . . 246 . A 17 SER H . 34608 1 203 . 1 . 1 30 30 SER HA H 1 4.060 0.003 . 1 . . 917 . A 17 SER HA . 34608 1 204 . 1 . 1 30 30 SER HB2 H 1 3.961 0.006 . 1 . . 916 . A 17 SER HB2 . 34608 1 205 . 1 . 1 30 30 SER CA C 13 61.407 0.058 . 1 . . 562 . A 17 SER CA . 34608 1 206 . 1 . 1 30 30 SER CB C 13 63.161 0.071 . 1 . . 668 . A 17 SER CB . 34608 1 207 . 1 . 1 30 30 SER N N 15 112.315 . . 1 . . 247 . A 17 SER N . 34608 1 208 . 1 . 1 31 31 LEU H H 1 7.397 . . 1 . . 183 . A 18 LEU H . 34608 1 209 . 1 . 1 31 31 LEU HA H 1 3.934 0.001 . 1 . . 918 . A 18 LEU HA . 34608 1 210 . 1 . 1 31 31 LEU HB2 H 1 1.544 0.004 . 2 . . 921 . A 18 LEU HB2 . 34608 1 211 . 1 . 1 31 31 LEU HB3 H 1 1.653 0.002 . 2 . . 922 . A 18 LEU HB3 . 34608 1 212 . 1 . 1 31 31 LEU HG H 1 1.411 0.002 . 1 . . 926 . A 18 LEU HG . 34608 1 213 . 1 . 1 31 31 LEU HD11 H 1 0.647 0.002 . 2 . . 919 . A 18 LEU HD11 . 34608 1 214 . 1 . 1 31 31 LEU HD12 H 1 0.647 0.002 . 2 . . 919 . A 18 LEU HD12 . 34608 1 215 . 1 . 1 31 31 LEU HD13 H 1 0.647 0.002 . 2 . . 919 . A 18 LEU HD13 . 34608 1 216 . 1 . 1 31 31 LEU HD21 H 1 0.764 0.001 . 2 . . 920 . A 18 LEU HD21 . 34608 1 217 . 1 . 1 31 31 LEU HD22 H 1 0.764 0.001 . 2 . . 920 . A 18 LEU HD22 . 34608 1 218 . 1 . 1 31 31 LEU HD23 H 1 0.764 0.001 . 2 . . 920 . A 18 LEU HD23 . 34608 1 219 . 1 . 1 31 31 LEU CA C 13 57.104 0.014 . 1 . . 563 . A 18 LEU CA . 34608 1 220 . 1 . 1 31 31 LEU CB C 13 41.440 0.039 . 1 . . 629 . A 18 LEU CB . 34608 1 221 . 1 . 1 31 31 LEU CG C 13 26.696 0.031 . 1 . . 925 . A 18 LEU CG . 34608 1 222 . 1 . 1 31 31 LEU CD1 C 13 23.961 0.037 . 2 . . 923 . A 18 LEU CD1 . 34608 1 223 . 1 . 1 31 31 LEU CD2 C 13 24.438 0.114 . 2 . . 924 . A 18 LEU CD2 . 34608 1 224 . 1 . 1 31 31 LEU N N 15 120.594 . . 1 . . 184 . A 18 LEU N . 34608 1 225 . 1 . 1 32 32 PHE H H 1 7.282 . . 1 . . 159 . A 19 PHE H . 34608 1 226 . 1 . 1 32 32 PHE HA H 1 4.155 . . 1 . . 1852 . A 19 PHE HA . 34608 1 227 . 1 . 1 32 32 PHE HB2 H 1 2.569 . . 2 . . 1361 . A 19 PHE HB2 . 34608 1 228 . 1 . 1 32 32 PHE HB3 H 1 2.697 0.0 . 2 . . 1853 . A 19 PHE HB3 . 34608 1 229 . 1 . 1 32 32 PHE HD1 H 1 7.237 0.002 . 1 . . 1848 . A 19 PHE HD1 . 34608 1 230 . 1 . 1 32 32 PHE HD2 H 1 7.237 0.002 . 1 . . 1848 . A 19 PHE HD2 . 34608 1 231 . 1 . 1 32 32 PHE HE1 H 1 7.297 0.001 . 1 . . 1850 . A 19 PHE HE1 . 34608 1 232 . 1 . 1 32 32 PHE HE2 H 1 7.297 0.001 . 1 . . 1850 . A 19 PHE HE2 . 34608 1 233 . 1 . 1 32 32 PHE CB C 13 40.503 0.003 . 1 . . 1854 . A 19 PHE CB . 34608 1 234 . 1 . 1 32 32 PHE CD1 C 13 131.611 0.063 . 1 . . 1847 . A 19 PHE CD1 . 34608 1 235 . 1 . 1 32 32 PHE CD2 C 13 131.611 0.063 . 1 . . 1847 . A 19 PHE CD2 . 34608 1 236 . 1 . 1 32 32 PHE CE1 C 13 131.017 0.037 . 1 . . 1849 . A 19 PHE CE1 . 34608 1 237 . 1 . 1 32 32 PHE CE2 C 13 131.017 0.037 . 1 . . 1849 . A 19 PHE CE2 . 34608 1 238 . 1 . 1 32 32 PHE N N 15 114.744 . . 1 . . 160 . A 19 PHE N . 34608 1 239 . 1 . 1 33 33 ASP H H 1 7.794 . . 1 . . 1932 . A 20 ASP H . 34608 1 240 . 1 . 1 33 33 ASP HA H 1 4.471 0.004 . 1 . . 928 . A 20 ASP HA . 34608 1 241 . 1 . 1 33 33 ASP HB2 H 1 1.427 0.007 . 2 . . 927 . A 20 ASP HB2 . 34608 1 242 . 1 . 1 33 33 ASP HB3 H 1 2.300 0.005 . 2 . . 1784 . A 20 ASP HB3 . 34608 1 243 . 1 . 1 33 33 ASP CA C 13 52.254 0.056 . 1 . . 564 . A 20 ASP CA . 34608 1 244 . 1 . 1 33 33 ASP CB C 13 38.774 0.062 . 1 . . 669 . A 20 ASP CB . 34608 1 245 . 1 . 1 34 34 LYS H H 1 7.629 0.009 . 1 . . 16 . A 21 LYS H . 34608 1 246 . 1 . 1 34 34 LYS HA H 1 3.905 0.003 . 1 . . 929 . A 21 LYS HA . 34608 1 247 . 1 . 1 34 34 LYS HB2 H 1 1.806 0.003 . 2 . . 930 . A 21 LYS HB2 . 34608 1 248 . 1 . 1 34 34 LYS HB3 H 1 1.759 0.009 . 2 . . 1969 . A 21 LYS HB3 . 34608 1 249 . 1 . 1 34 34 LYS HG2 H 1 1.477 0.013 . 2 . . 1786 . A 21 LYS HG2 . 34608 1 250 . 1 . 1 34 34 LYS HG3 H 1 1.401 0.005 . 2 . . 1787 . A 21 LYS HG3 . 34608 1 251 . 1 . 1 34 34 LYS HD2 H 1 1.634 0.005 . 1 . . 932 . A 21 LYS HD2 . 34608 1 252 . 1 . 1 34 34 LYS HE2 H 1 2.938 0.007 . 1 . . 934 . A 21 LYS HE2 . 34608 1 253 . 1 . 1 34 34 LYS CA C 13 58.554 0.018 . 1 . . 565 . A 21 LYS CA . 34608 1 254 . 1 . 1 34 34 LYS CB C 13 32.632 0.04 . 1 . . 630 . A 21 LYS CB . 34608 1 255 . 1 . 1 34 34 LYS CG C 13 24.516 0.052 . 1 . . 931 . A 21 LYS CG . 34608 1 256 . 1 . 1 34 34 LYS CD C 13 28.297 0.069 . 1 . . 933 . A 21 LYS CD . 34608 1 257 . 1 . 1 34 34 LYS CE C 13 42.021 0.004 . 1 . . 935 . A 21 LYS CE . 34608 1 258 . 1 . 1 34 34 LYS N N 15 124.335 . . 1 . . 17 . A 21 LYS N . 34608 1 259 . 1 . 1 35 35 ASP H H 1 7.989 0.009 . 1 . . 84 . A 22 ASP H . 34608 1 260 . 1 . 1 35 35 ASP HA H 1 4.493 . . 1 . . 1946 . A 22 ASP HA . 34608 1 261 . 1 . 1 35 35 ASP HB2 H 1 2.567 0.01 . 2 . . 1942 . A 22 ASP HB2 . 34608 1 262 . 1 . 1 35 35 ASP HB3 H 1 2.995 0.009 . 2 . . 1944 . A 22 ASP HB3 . 34608 1 263 . 1 . 1 35 35 ASP CA C 13 52.845 . . 1 . . 1945 . A 22 ASP CA . 34608 1 264 . 1 . 1 35 35 ASP CB C 13 39.601 0.076 . 1 . . 1943 . A 22 ASP CB . 34608 1 265 . 1 . 1 35 35 ASP N N 15 113.575 . . 1 . . 85 . A 22 ASP N . 34608 1 266 . 1 . 1 36 36 GLY H H 1 7.633 0.01 . 1 . . 119 . A 23 GLY H . 34608 1 267 . 1 . 1 36 36 GLY HA2 H 1 3.768 0.001 . 2 . . 936 . A 23 GLY HA2 . 34608 1 268 . 1 . 1 36 36 GLY HA3 H 1 3.818 0.003 . 2 . . 1762 . A 23 GLY HA3 . 34608 1 269 . 1 . 1 36 36 GLY CA C 13 47.175 0.032 . 1 . . 566 . A 23 GLY CA . 34608 1 270 . 1 . 1 36 36 GLY N N 15 109.034 . . 1 . . 120 . A 23 GLY N . 34608 1 271 . 1 . 1 37 37 ASP H H 1 8.315 0.023 . 1 . . 31 . A 24 ASP H . 34608 1 272 . 1 . 1 37 37 ASP HA H 1 4.437 0.005 . 1 . . 938 . A 24 ASP HA . 34608 1 273 . 1 . 1 37 37 ASP HB2 H 1 2.386 0.005 . 2 . . 937 . A 24 ASP HB2 . 34608 1 274 . 1 . 1 37 37 ASP HB3 H 1 2.976 0.004 . 2 . . 939 . A 24 ASP HB3 . 34608 1 275 . 1 . 1 37 37 ASP CA C 13 53.796 0.074 . 1 . . 567 . A 24 ASP CA . 34608 1 276 . 1 . 1 37 37 ASP CB C 13 40.343 0.045 . 1 . . 631 . A 24 ASP CB . 34608 1 277 . 1 . 1 37 37 ASP N N 15 120.412 . . 1 . . 32 . A 24 ASP N . 34608 1 278 . 1 . 1 38 38 GLY H H 1 10.582 0.011 . 1 . . 176 . A 25 GLY H . 34608 1 279 . 1 . 1 38 38 GLY HA2 H 1 3.624 0.003 . 2 . . 940 . A 25 GLY HA2 . 34608 1 280 . 1 . 1 38 38 GLY HA3 H 1 4.284 0.005 . 2 . . 941 . A 25 GLY HA3 . 34608 1 281 . 1 . 1 38 38 GLY CA C 13 45.423 0.03 . 1 . . 612 . A 25 GLY CA . 34608 1 282 . 1 . 1 38 38 GLY N N 15 113.012 . . 1 . . 177 . A 25 GLY N . 34608 1 283 . 1 . 1 39 39 THR H H 1 8.069 0.011 . 1 . . 91 . A 26 THR H . 34608 1 284 . 1 . 1 39 39 THR HA H 1 5.225 0.005 . 1 . . 942 . A 26 THR HA . 34608 1 285 . 1 . 1 39 39 THR HB H 1 3.774 0.001 . 1 . . 944 . A 26 THR HB . 34608 1 286 . 1 . 1 39 39 THR HG21 H 1 0.966 0.001 . 1 . . 943 . A 26 THR HG21 . 34608 1 287 . 1 . 1 39 39 THR HG22 H 1 0.966 0.001 . 1 . . 943 . A 26 THR HG22 . 34608 1 288 . 1 . 1 39 39 THR HG23 H 1 0.966 0.001 . 1 . . 943 . A 26 THR HG23 . 34608 1 289 . 1 . 1 39 39 THR CA C 13 59.774 0.021 . 1 . . 568 . A 26 THR CA . 34608 1 290 . 1 . 1 39 39 THR CB C 13 72.600 0.015 . 1 . . 632 . A 26 THR CB . 34608 1 291 . 1 . 1 39 39 THR CG2 C 13 21.655 0.043 . 1 . . 945 . A 26 THR CG2 . 34608 1 292 . 1 . 1 39 39 THR N N 15 112.694 . . 1 . . 92 . A 26 THR N . 34608 1 293 . 1 . 1 40 40 ILE H H 1 9.757 0.008 . 1 . . 161 . A 27 ILE H . 34608 1 294 . 1 . 1 40 40 ILE HA H 1 4.905 0.004 . 1 . . 1971 . A 27 ILE HA . 34608 1 295 . 1 . 1 40 40 ILE HB H 1 1.719 0.003 . 1 . . 946 . A 27 ILE HB . 34608 1 296 . 1 . 1 40 40 ILE HG12 H 1 1.103 0.005 . 2 . . 953 . A 27 ILE HG12 . 34608 1 297 . 1 . 1 40 40 ILE HG13 H 1 0.192 0.011 . 2 . . 954 . A 27 ILE HG13 . 34608 1 298 . 1 . 1 40 40 ILE HG21 H 1 0.820 0.01 . 1 . . 949 . A 27 ILE HG21 . 34608 1 299 . 1 . 1 40 40 ILE HG22 H 1 0.820 0.01 . 1 . . 949 . A 27 ILE HG22 . 34608 1 300 . 1 . 1 40 40 ILE HG23 H 1 0.820 0.01 . 1 . . 949 . A 27 ILE HG23 . 34608 1 301 . 1 . 1 40 40 ILE HD11 H 1 0.183 0.004 . 1 . . 948 . A 27 ILE HD11 . 34608 1 302 . 1 . 1 40 40 ILE HD12 H 1 0.183 0.004 . 1 . . 948 . A 27 ILE HD12 . 34608 1 303 . 1 . 1 40 40 ILE HD13 H 1 0.183 0.004 . 1 . . 948 . A 27 ILE HD13 . 34608 1 304 . 1 . 1 40 40 ILE CA C 13 60.317 0.06 . 1 . . 1972 . A 27 ILE CA . 34608 1 305 . 1 . 1 40 40 ILE CB C 13 39.618 0.047 . 1 . . 947 . A 27 ILE CB . 34608 1 306 . 1 . 1 40 40 ILE CG1 C 13 26.937 0.048 . 1 . . 952 . A 27 ILE CG1 . 34608 1 307 . 1 . 1 40 40 ILE CG2 C 13 17.627 0.059 . 1 . . 951 . A 27 ILE CG2 . 34608 1 308 . 1 . 1 40 40 ILE CD1 C 13 15.372 0.03 . 1 . . 950 . A 27 ILE CD1 . 34608 1 309 . 1 . 1 40 40 ILE N N 15 126.795 . . 1 . . 162 . A 27 ILE N . 34608 1 310 . 1 . 1 41 41 THR H H 1 8.398 0.014 . 1 . . 201 . A 28 THR H . 34608 1 311 . 1 . 1 41 41 THR HA H 1 4.907 0.008 . 1 . . 1597 . A 28 THR HA . 34608 1 312 . 1 . 1 41 41 THR HB H 1 4.272 . . 1 . . 2088 . A 28 THR HB . 34608 1 313 . 1 . 1 41 41 THR HG1 H 1 5.716 0.002 . 1 . . 1837 . A 28 THR HG1 . 34608 1 314 . 1 . 1 41 41 THR HG21 H 1 1.223 0.009 . 1 . . 1595 . A 28 THR HG21 . 34608 1 315 . 1 . 1 41 41 THR HG22 H 1 1.223 0.009 . 1 . . 1595 . A 28 THR HG22 . 34608 1 316 . 1 . 1 41 41 THR HG23 H 1 1.223 0.009 . 1 . . 1595 . A 28 THR HG23 . 34608 1 317 . 1 . 1 41 41 THR CA C 13 60.343 0.085 . 1 . . 1598 . A 28 THR CA . 34608 1 318 . 1 . 1 41 41 THR CG2 C 13 21.881 0.016 . 1 . . 1596 . A 28 THR CG2 . 34608 1 319 . 1 . 1 41 41 THR N N 15 116.297 . . 1 . . 252 . A 28 THR N . 34608 1 320 . 1 . 1 42 42 THR H H 1 9.068 0.008 . 1 . . 170 . A 29 THR H . 34608 1 321 . 1 . 1 42 42 THR HA H 1 3.725 0.004 . 1 . . 955 . A 29 THR HA . 34608 1 322 . 1 . 1 42 42 THR HB H 1 4.139 0.002 . 1 . . 957 . A 29 THR HB . 34608 1 323 . 1 . 1 42 42 THR HG21 H 1 1.201 0.0 . 1 . . 956 . A 29 THR HG21 . 34608 1 324 . 1 . 1 42 42 THR HG22 H 1 1.201 0.0 . 1 . . 956 . A 29 THR HG22 . 34608 1 325 . 1 . 1 42 42 THR HG23 H 1 1.201 0.0 . 1 . . 956 . A 29 THR HG23 . 34608 1 326 . 1 . 1 42 42 THR CA C 13 66.465 0.023 . 1 . . 569 . A 29 THR CA . 34608 1 327 . 1 . 1 42 42 THR CB C 13 67.863 0.028 . 1 . . 633 . A 29 THR CB . 34608 1 328 . 1 . 1 42 42 THR CG2 C 13 23.331 0.026 . 1 . . 958 . A 29 THR CG2 . 34608 1 329 . 1 . 1 42 42 THR N N 15 112.556 . . 1 . . 171 . A 29 THR N . 34608 1 330 . 1 . 1 43 43 LYS H H 1 7.622 0.018 . 1 . . 143 . A 30 LYS H . 34608 1 331 . 1 . 1 43 43 LYS HA H 1 4.063 0.002 . 1 . . 1947 . A 30 LYS HA . 34608 1 332 . 1 . 1 43 43 LYS HB2 H 1 1.735 0.003 . 2 . . 1949 . A 30 LYS HB2 . 34608 1 333 . 1 . 1 43 43 LYS HB3 H 1 1.802 0.001 . 2 . . 1951 . A 30 LYS HB3 . 34608 1 334 . 1 . 1 43 43 LYS HG2 H 1 1.340 0.004 . 2 . . 1952 . A 30 LYS HG2 . 34608 1 335 . 1 . 1 43 43 LYS HG3 H 1 1.419 0.001 . 2 . . 1954 . A 30 LYS HG3 . 34608 1 336 . 1 . 1 43 43 LYS HD2 H 1 1.605 0.003 . 1 . . 1975 . A 30 LYS HD2 . 34608 1 337 . 1 . 1 43 43 LYS HE2 H 1 2.915 0.004 . 1 . . 1973 . A 30 LYS HE2 . 34608 1 338 . 1 . 1 43 43 LYS CA C 13 59.065 0.04 . 1 . . 1948 . A 30 LYS CA . 34608 1 339 . 1 . 1 43 43 LYS CB C 13 32.450 0.04 . 1 . . 1950 . A 30 LYS CB . 34608 1 340 . 1 . 1 43 43 LYS CG C 13 24.744 0.034 . 1 . . 1953 . A 30 LYS CG . 34608 1 341 . 1 . 1 43 43 LYS CD C 13 29.131 0.027 . 1 . . 1976 . A 30 LYS CD . 34608 1 342 . 1 . 1 43 43 LYS CE C 13 42.019 0.0 . 1 . . 1974 . A 30 LYS CE . 34608 1 343 . 1 . 1 43 43 LYS N N 15 120.680 . . 1 . . 144 . A 30 LYS N . 34608 1 344 . 1 . 1 44 44 GLU H H 1 7.644 . . 1 . . 134 . A 31 GLU H . 34608 1 345 . 1 . 1 44 44 GLU N N 15 121.237 . . 1 . . 135 . A 31 GLU N . 34608 1 346 . 1 . 1 45 45 LEU H H 1 8.678 0.012 . 1 . . 1910 . A 32 LEU H . 34608 1 347 . 1 . 1 45 45 LEU HA H 1 4.046 0.003 . 1 . . 962 . A 32 LEU HA . 34608 1 348 . 1 . 1 45 45 LEU HB2 H 1 1.458 0.005 . 2 . . 1342 . A 32 LEU HB2 . 34608 1 349 . 1 . 1 45 45 LEU HB3 H 1 1.811 0.002 . 2 . . 1345 . A 32 LEU HB3 . 34608 1 350 . 1 . 1 45 45 LEU HG H 1 1.553 0.001 . 1 . . 2065 . A 32 LEU HG . 34608 1 351 . 1 . 1 45 45 LEU HD11 H 1 0.842 0.003 . 2 . . 963 . A 32 LEU HD11 . 34608 1 352 . 1 . 1 45 45 LEU HD12 H 1 0.842 0.003 . 2 . . 963 . A 32 LEU HD12 . 34608 1 353 . 1 . 1 45 45 LEU HD13 H 1 0.842 0.003 . 2 . . 963 . A 32 LEU HD13 . 34608 1 354 . 1 . 1 45 45 LEU HD21 H 1 0.874 . . 2 . . 1715 . A 32 LEU HD21 . 34608 1 355 . 1 . 1 45 45 LEU HD22 H 1 0.874 . . 2 . . 1715 . A 32 LEU HD22 . 34608 1 356 . 1 . 1 45 45 LEU HD23 H 1 0.874 . . 2 . . 1715 . A 32 LEU HD23 . 34608 1 357 . 1 . 1 45 45 LEU CA C 13 58.168 0.053 . 1 . . 571 . A 32 LEU CA . 34608 1 358 . 1 . 1 45 45 LEU CB C 13 42.566 0.094 . 1 . . 1344 . A 32 LEU CB . 34608 1 359 . 1 . 1 45 45 LEU CG C 13 27.272 0.064 . 1 . . 2066 . A 32 LEU CG . 34608 1 360 . 1 . 1 45 45 LEU CD1 C 13 26.132 0.017 . 2 . . 968 . A 32 LEU CD1 . 34608 1 361 . 1 . 1 45 45 LEU CD2 C 13 23.566 . . 2 . . 1716 . A 32 LEU CD2 . 34608 1 362 . 1 . 1 45 45 LEU N N 15 120.397 . . 1 . . 1911 . A 32 LEU N . 34608 1 363 . 1 . 1 46 46 GLY H H 1 8.610 0.007 . 1 . . 249 . A 33 GLY H . 34608 1 364 . 1 . 1 46 46 GLY HA2 H 1 3.509 0.004 . 2 . . 969 . A 33 GLY HA2 . 34608 1 365 . 1 . 1 46 46 GLY HA3 H 1 3.923 0.004 . 2 . . 970 . A 33 GLY HA3 . 34608 1 366 . 1 . 1 46 46 GLY CA C 13 48.359 0.062 . 1 . . 572 . A 33 GLY CA . 34608 1 367 . 1 . 1 46 46 GLY N N 15 105.368 . . 1 . . 250 . A 33 GLY N . 34608 1 368 . 1 . 1 47 47 THR H H 1 7.877 0.015 . 1 . . 238 . A 34 THR H . 34608 1 369 . 1 . 1 47 47 THR HA H 1 3.858 0.004 . 1 . . 971 . A 34 THR HA . 34608 1 370 . 1 . 1 47 47 THR HB H 1 4.247 0.008 . 1 . . 973 . A 34 THR HB . 34608 1 371 . 1 . 1 47 47 THR HG21 H 1 1.208 0.001 . 1 . . 972 . A 34 THR HG21 . 34608 1 372 . 1 . 1 47 47 THR HG22 H 1 1.208 0.001 . 1 . . 972 . A 34 THR HG22 . 34608 1 373 . 1 . 1 47 47 THR HG23 H 1 1.208 0.001 . 1 . . 972 . A 34 THR HG23 . 34608 1 374 . 1 . 1 47 47 THR CA C 13 66.857 0.054 . 1 . . 573 . A 34 THR CA . 34608 1 375 . 1 . 1 47 47 THR CB C 13 68.689 0.068 . 1 . . 634 . A 34 THR CB . 34608 1 376 . 1 . 1 47 47 THR CG2 C 13 21.645 0.064 . 1 . . 974 . A 34 THR CG2 . 34608 1 377 . 1 . 1 47 47 THR N N 15 118.046 . . 1 . . 239 . A 34 THR N . 34608 1 378 . 1 . 1 48 48 VAL H H 1 7.554 0.009 . 1 . . 23 . A 35 VAL H . 34608 1 379 . 1 . 1 48 48 VAL HA H 1 3.433 0.003 . 1 . . 980 . A 35 VAL HA . 34608 1 380 . 1 . 1 48 48 VAL HB H 1 1.898 0.003 . 1 . . 977 . A 35 VAL HB . 34608 1 381 . 1 . 1 48 48 VAL HG11 H 1 0.320 0.004 . 2 . . 975 . A 35 VAL HG11 . 34608 1 382 . 1 . 1 48 48 VAL HG12 H 1 0.320 0.004 . 2 . . 975 . A 35 VAL HG12 . 34608 1 383 . 1 . 1 48 48 VAL HG13 H 1 0.320 0.004 . 2 . . 975 . A 35 VAL HG13 . 34608 1 384 . 1 . 1 48 48 VAL HG21 H 1 0.602 0.002 . 2 . . 978 . A 35 VAL HG21 . 34608 1 385 . 1 . 1 48 48 VAL HG22 H 1 0.602 0.002 . 2 . . 978 . A 35 VAL HG22 . 34608 1 386 . 1 . 1 48 48 VAL HG23 H 1 0.602 0.002 . 2 . . 978 . A 35 VAL HG23 . 34608 1 387 . 1 . 1 48 48 VAL CA C 13 66.227 0.071 . 1 . . 613 . A 35 VAL CA . 34608 1 388 . 1 . 1 48 48 VAL CB C 13 31.421 0.061 . 1 . . 635 . A 35 VAL CB . 34608 1 389 . 1 . 1 48 48 VAL CG1 C 13 20.609 0.056 . 2 . . 976 . A 35 VAL CG1 . 34608 1 390 . 1 . 1 48 48 VAL CG2 C 13 22.839 0.023 . 2 . . 979 . A 35 VAL CG2 . 34608 1 391 . 1 . 1 48 48 VAL N N 15 121.772 . . 1 . . 24 . A 35 VAL N . 34608 1 392 . 1 . 1 49 49 MET H H 1 8.411 0.01 . 1 . . 149 . A 36 MET H . 34608 1 393 . 1 . 1 49 49 MET HA H 1 4.030 0.006 . 1 . . 983 . A 36 MET HA . 34608 1 394 . 1 . 1 49 49 MET HG2 H 1 2.548 0.003 . 2 . . 982 . A 36 MET HG2 . 34608 1 395 . 1 . 1 49 49 MET HG3 H 1 2.634 0.003 . 2 . . 1816 . A 36 MET HG3 . 34608 1 396 . 1 . 1 49 49 MET HE1 H 1 1.923 0.004 . 1 . . 1817 . A 36 MET HE1 . 34608 1 397 . 1 . 1 49 49 MET HE2 H 1 1.923 0.004 . 1 . . 1817 . A 36 MET HE2 . 34608 1 398 . 1 . 1 49 49 MET HE3 H 1 1.923 0.004 . 1 . . 1817 . A 36 MET HE3 . 34608 1 399 . 1 . 1 49 49 MET CA C 13 59.016 0.117 . 1 . . 827 . A 36 MET CA . 34608 1 400 . 1 . 1 49 49 MET CG C 13 32.843 0.11 . 1 . . 981 . A 36 MET CG . 34608 1 401 . 1 . 1 49 49 MET CE C 13 17.401 0.057 . 1 . . 1818 . A 36 MET CE . 34608 1 402 . 1 . 1 49 49 MET N N 15 118.141 . . 1 . . 150 . A 36 MET N . 34608 1 403 . 1 . 1 50 50 ARG H H 1 8.477 0.013 . 1 . . 781 . A 37 ARG H . 34608 1 404 . 1 . 1 50 50 ARG HA H 1 4.746 0.011 . 1 . . 1600 . A 37 ARG HA . 34608 1 405 . 1 . 1 50 50 ARG HB2 H 1 1.769 0.003 . 2 . . 1559 . A 37 ARG HB2 . 34608 1 406 . 1 . 1 50 50 ARG HB3 H 1 1.836 0.002 . 2 . . 1601 . A 37 ARG HB3 . 34608 1 407 . 1 . 1 50 50 ARG HG2 H 1 1.882 . . 1 . . 2129 . A 37 ARG HG2 . 34608 1 408 . 1 . 1 50 50 ARG HD2 H 1 3.060 0.005 . 2 . . 1602 . A 37 ARG HD2 . 34608 1 409 . 1 . 1 50 50 ARG HD3 H 1 3.244 0.003 . 2 . . 1603 . A 37 ARG HD3 . 34608 1 410 . 1 . 1 50 50 ARG CA C 13 59.147 . . 1 . . 828 . A 37 ARG CA . 34608 1 411 . 1 . 1 50 50 ARG CB C 13 29.391 0.059 . 1 . . 829 . A 37 ARG CB . 34608 1 412 . 1 . 1 50 50 ARG CD C 13 43.453 0.024 . 1 . . 1604 . A 37 ARG CD . 34608 1 413 . 1 . 1 50 50 ARG N N 15 118.736 . . 1 . . 782 . A 37 ARG N . 34608 1 414 . 1 . 1 51 51 SER H H 1 7.859 0.011 . 1 . . 1752 . A 38 SER H . 34608 1 415 . 1 . 1 51 51 SER HA H 1 4.338 0.001 . 1 . . 1528 . A 38 SER HA . 34608 1 416 . 1 . 1 51 51 SER HB2 H 1 4.053 0.006 . 2 . . 1529 . A 38 SER HB2 . 34608 1 417 . 1 . 1 51 51 SER HB3 H 1 3.983 0.005 . 2 . . 1530 . A 38 SER HB3 . 34608 1 418 . 1 . 1 51 51 SER CA C 13 61.584 0.069 . 1 . . 831 . A 38 SER CA . 34608 1 419 . 1 . 1 51 51 SER CB C 13 62.833 0.074 . 1 . . 830 . A 38 SER CB . 34608 1 420 . 1 . 1 51 51 SER N N 15 118.623 . . 1 . . 710 . A 38 SER N . 34608 1 421 . 1 . 1 52 52 LEU H H 1 7.295 0.01 . 1 . . 825 . A 39 LEU H . 34608 1 422 . 1 . 1 52 52 LEU HA H 1 4.430 0.002 . 1 . . 1381 . A 39 LEU HA . 34608 1 423 . 1 . 1 52 52 LEU HB2 H 1 1.823 0.002 . 2 . . 967 . A 39 LEU HB2 . 34608 1 424 . 1 . 1 52 52 LEU HB3 H 1 1.729 0.007 . 2 . . 1717 . A 39 LEU HB3 . 34608 1 425 . 1 . 1 52 52 LEU HG H 1 1.744 0.001 . 1 . . 2032 . A 39 LEU HG . 34608 1 426 . 1 . 1 52 52 LEU HD11 H 1 0.761 0.001 . 2 . . 1279 . A 39 LEU HD11 . 34608 1 427 . 1 . 1 52 52 LEU HD12 H 1 0.761 0.001 . 2 . . 1279 . A 39 LEU HD12 . 34608 1 428 . 1 . 1 52 52 LEU HD13 H 1 0.761 0.001 . 2 . . 1279 . A 39 LEU HD13 . 34608 1 429 . 1 . 1 52 52 LEU HD21 H 1 0.757 0.002 . 2 . . 1380 . A 39 LEU HD21 . 34608 1 430 . 1 . 1 52 52 LEU HD22 H 1 0.757 0.002 . 2 . . 1380 . A 39 LEU HD22 . 34608 1 431 . 1 . 1 52 52 LEU HD23 H 1 0.757 0.002 . 2 . . 1380 . A 39 LEU HD23 . 34608 1 432 . 1 . 1 52 52 LEU CA C 13 54.419 0.026 . 1 . . 574 . A 39 LEU CA . 34608 1 433 . 1 . 1 52 52 LEU CB C 13 41.911 0.04 . 1 . . 1718 . A 39 LEU CB . 34608 1 434 . 1 . 1 52 52 LEU CG C 13 26.181 0.038 . 1 . . 2033 . A 39 LEU CG . 34608 1 435 . 1 . 1 52 52 LEU CD1 C 13 22.431 0.071 . 2 . . 1583 . A 39 LEU CD1 . 34608 1 436 . 1 . 1 52 52 LEU CD2 C 13 25.733 0.083 . 2 . . 1584 . A 39 LEU CD2 . 34608 1 437 . 1 . 1 52 52 LEU N N 15 119.987 . . 1 . . 826 . A 39 LEU N . 34608 1 438 . 1 . 1 53 53 GLY H H 1 7.809 . . 1 . . 529 . A 40 GLY H . 34608 1 439 . 1 . 1 53 53 GLY HA2 H 1 3.726 0.005 . 2 . . 984 . A 40 GLY HA2 . 34608 1 440 . 1 . 1 53 53 GLY HA3 H 1 4.173 0.005 . 2 . . 985 . A 40 GLY HA3 . 34608 1 441 . 1 . 1 53 53 GLY CA C 13 45.487 0.044 . 1 . . 575 . A 40 GLY CA . 34608 1 442 . 1 . 1 53 53 GLY N N 15 106.493 . . 1 . . 528 . A 40 GLY N . 34608 1 443 . 1 . 1 54 54 GLN H H 1 7.772 0.012 . 1 . . 531 . A 41 GLN H . 34608 1 444 . 1 . 1 54 54 GLN HA H 1 4.416 0.005 . 1 . . 986 . A 41 GLN HA . 34608 1 445 . 1 . 1 54 54 GLN HB2 H 1 1.593 0.01 . 2 . . 1887 . A 41 GLN HB2 . 34608 1 446 . 1 . 1 54 54 GLN HB3 H 1 2.069 0.002 . 2 . . 1889 . A 41 GLN HB3 . 34608 1 447 . 1 . 1 54 54 GLN HG2 H 1 2.163 0.003 . 1 . . 1883 . A 41 GLN HG2 . 34608 1 448 . 1 . 1 54 54 GLN HG3 H 1 2.163 0.003 . 1 . . 1884 . A 41 GLN HG3 . 34608 1 449 . 1 . 1 54 54 GLN HE21 H 1 6.680 . . 1 . . 1885 . A 41 GLN HE21 . 34608 1 450 . 1 . 1 54 54 GLN HE22 H 1 7.297 0.003 . 1 . . 1886 . A 41 GLN HE22 . 34608 1 451 . 1 . 1 54 54 GLN CA C 13 54.409 0.075 . 1 . . 576 . A 41 GLN CA . 34608 1 452 . 1 . 1 54 54 GLN CB C 13 30.534 0.042 . 1 . . 1888 . A 41 GLN CB . 34608 1 453 . 1 . 1 54 54 GLN CG C 13 33.851 0.021 . 1 . . 1882 . A 41 GLN CG . 34608 1 454 . 1 . 1 54 54 GLN N N 15 118.115 . . 1 . . 530 . A 41 GLN N . 34608 1 455 . 1 . 1 55 55 ASN H H 1 8.665 0.008 . 1 . . 752 . A 42 ASN H . 34608 1 456 . 1 . 1 55 55 ASN HA H 1 5.127 0.003 . 1 . . 1294 . A 42 ASN HA . 34608 1 457 . 1 . 1 55 55 ASN HB2 H 1 2.446 0.001 . 2 . . 1295 . A 42 ASN HB2 . 34608 1 458 . 1 . 1 55 55 ASN HB3 H 1 2.716 0.001 . 2 . . 1296 . A 42 ASN HB3 . 34608 1 459 . 1 . 1 55 55 ASN HD21 H 1 6.670 0.004 . 1 . . 1765 . A 42 ASN HD21 . 34608 1 460 . 1 . 1 55 55 ASN HD22 H 1 7.489 0.0 . 1 . . 1766 . A 42 ASN HD22 . 34608 1 461 . 1 . 1 55 55 ASN CA C 13 51.243 0.04 . 1 . . 614 . A 42 ASN CA . 34608 1 462 . 1 . 1 55 55 ASN CB C 13 39.184 0.045 . 1 . . 636 . A 42 ASN CB . 34608 1 463 . 1 . 1 55 55 ASN N N 15 116.045 . . 1 . . 751 . A 42 ASN N . 34608 1 464 . 1 . 1 56 56 PRO HA H 1 4.692 0.005 . 1 . . 1896 . A 43 PRO HA . 34608 1 465 . 1 . 1 56 56 PRO HB2 H 1 1.864 0.002 . 2 . . 1893 . A 43 PRO HB2 . 34608 1 466 . 1 . 1 56 56 PRO HB3 H 1 2.170 0.004 . 2 . . 1895 . A 43 PRO HB3 . 34608 1 467 . 1 . 1 56 56 PRO HG2 H 1 1.874 0.003 . 1 . . 1574 . A 43 PRO HG2 . 34608 1 468 . 1 . 1 56 56 PRO HD2 H 1 3.226 0.005 . 2 . . 1571 . A 43 PRO HD2 . 34608 1 469 . 1 . 1 56 56 PRO HD3 H 1 3.532 0.006 . 2 . . 1572 . A 43 PRO HD3 . 34608 1 470 . 1 . 1 56 56 PRO CB C 13 31.908 0.051 . 1 . . 1894 . A 43 PRO CB . 34608 1 471 . 1 . 1 56 56 PRO CG C 13 27.525 0.047 . 1 . . 1575 . A 43 PRO CG . 34608 1 472 . 1 . 1 56 56 PRO CD C 13 49.812 0.024 . 1 . . 1573 . A 43 PRO CD . 34608 1 473 . 1 . 1 57 57 THR H H 1 8.701 0.01 . 1 . . 88 . A 44 THR H . 34608 1 474 . 1 . 1 57 57 THR HA H 1 4.381 0.009 . 1 . . 1298 . A 44 THR HA . 34608 1 475 . 1 . 1 57 57 THR HB H 1 4.661 . . 1 . . 1916 . A 44 THR HB . 34608 1 476 . 1 . 1 57 57 THR HG21 H 1 1.282 0.002 . 1 . . 1299 . A 44 THR HG21 . 34608 1 477 . 1 . 1 57 57 THR HG22 H 1 1.282 0.002 . 1 . . 1299 . A 44 THR HG22 . 34608 1 478 . 1 . 1 57 57 THR HG23 H 1 1.282 0.002 . 1 . . 1299 . A 44 THR HG23 . 34608 1 479 . 1 . 1 57 57 THR CA C 13 60.427 0.037 . 1 . . 1297 . A 44 THR CA . 34608 1 480 . 1 . 1 57 57 THR CG2 C 13 21.862 0.007 . 1 . . 1300 . A 44 THR CG2 . 34608 1 481 . 1 . 1 57 57 THR N N 15 112.757 . . 1 . . 89 . A 44 THR N . 34608 1 482 . 1 . 1 58 58 GLU H H 1 8.761 0.013 . 1 . . 29 . A 45 GLU H . 34608 1 483 . 1 . 1 58 58 GLU HA H 1 3.929 0.012 . 1 . . 987 . A 45 GLU HA . 34608 1 484 . 1 . 1 58 58 GLU HB2 H 1 1.981 0.002 . 1 . . 988 . A 45 GLU HB2 . 34608 1 485 . 1 . 1 58 58 GLU HG2 H 1 2.274 0.004 . 1 . . 990 . A 45 GLU HG2 . 34608 1 486 . 1 . 1 58 58 GLU CA C 13 59.907 0.115 . 1 . . 577 . A 45 GLU CA . 34608 1 487 . 1 . 1 58 58 GLU CB C 13 29.056 0.066 . 1 . . 637 . A 45 GLU CB . 34608 1 488 . 1 . 1 58 58 GLU CG C 13 36.145 0.043 . 1 . . 989 . A 45 GLU CG . 34608 1 489 . 1 . 1 58 58 GLU N N 15 120.453 . . 1 . . 30 . A 45 GLU N . 34608 1 490 . 1 . 1 59 59 ALA H H 1 8.225 0.012 . 1 . . 153 . A 46 ALA H . 34608 1 491 . 1 . 1 59 59 ALA HA H 1 4.036 0.005 . 1 . . 993 . A 46 ALA HA . 34608 1 492 . 1 . 1 59 59 ALA HB1 H 1 1.320 0.001 . 1 . . 991 . A 46 ALA HB1 . 34608 1 493 . 1 . 1 59 59 ALA HB2 H 1 1.320 0.001 . 1 . . 991 . A 46 ALA HB2 . 34608 1 494 . 1 . 1 59 59 ALA HB3 H 1 1.320 0.001 . 1 . . 991 . A 46 ALA HB3 . 34608 1 495 . 1 . 1 59 59 ALA CA C 13 54.984 0.051 . 1 . . 992 . A 46 ALA CA . 34608 1 496 . 1 . 1 59 59 ALA CB C 13 18.160 0.021 . 1 . . 638 . A 46 ALA CB . 34608 1 497 . 1 . 1 59 59 ALA N N 15 120.489 . . 1 . . 154 . A 46 ALA N . 34608 1 498 . 1 . 1 60 60 GLU H H 1 7.659 0.007 . 1 . . 52 . A 47 GLU H . 34608 1 499 . 1 . 1 60 60 GLU HA H 1 3.951 0.002 . 1 . . 995 . A 47 GLU HA . 34608 1 500 . 1 . 1 60 60 GLU HB2 H 1 2.271 0.003 . 2 . . 1834 . A 47 GLU HB2 . 34608 1 501 . 1 . 1 60 60 GLU HB3 H 1 1.822 . . 2 . . 1980 . A 47 GLU HB3 . 34608 1 502 . 1 . 1 60 60 GLU HG2 H 1 2.217 0.0 . 2 . . 1977 . A 47 GLU HG2 . 34608 1 503 . 1 . 1 60 60 GLU HG3 H 1 2.277 0.001 . 2 . . 1979 . A 47 GLU HG3 . 34608 1 504 . 1 . 1 60 60 GLU CA C 13 59.159 0.057 . 1 . . 994 . A 47 GLU CA . 34608 1 505 . 1 . 1 60 60 GLU CB C 13 29.665 0.033 . 1 . . 1833 . A 47 GLU CB . 34608 1 506 . 1 . 1 60 60 GLU CG C 13 37.313 0.003 . 1 . . 1978 . A 47 GLU CG . 34608 1 507 . 1 . 1 60 60 GLU N N 15 118.485 . . 1 . . 53 . A 47 GLU N . 34608 1 508 . 1 . 1 61 61 LEU H H 1 8.136 0.011 . 1 . . 33 . A 48 LEU H . 34608 1 509 . 1 . 1 61 61 LEU HA H 1 4.015 0.006 . 1 . . 1304 . A 48 LEU HA . 34608 1 510 . 1 . 1 61 61 LEU HB2 H 1 1.186 0.006 . 2 . . 1310 . A 48 LEU HB2 . 34608 1 511 . 1 . 1 61 61 LEU HB3 H 1 2.006 0.004 . 2 . . 1609 . A 48 LEU HB3 . 34608 1 512 . 1 . 1 61 61 LEU HG H 1 1.691 0.006 . 1 . . 1308 . A 48 LEU HG . 34608 1 513 . 1 . 1 61 61 LEU HD11 H 1 0.747 0.001 . 2 . . 1303 . A 48 LEU HD11 . 34608 1 514 . 1 . 1 61 61 LEU HD12 H 1 0.747 0.001 . 2 . . 1303 . A 48 LEU HD12 . 34608 1 515 . 1 . 1 61 61 LEU HD13 H 1 0.747 0.001 . 2 . . 1303 . A 48 LEU HD13 . 34608 1 516 . 1 . 1 61 61 LEU HD21 H 1 0.794 0.001 . 2 . . 1306 . A 48 LEU HD21 . 34608 1 517 . 1 . 1 61 61 LEU HD22 H 1 0.794 0.001 . 2 . . 1306 . A 48 LEU HD22 . 34608 1 518 . 1 . 1 61 61 LEU HD23 H 1 0.794 0.001 . 2 . . 1306 . A 48 LEU HD23 . 34608 1 519 . 1 . 1 61 61 LEU CA C 13 57.890 0.026 . 1 . . 832 . A 48 LEU CA . 34608 1 520 . 1 . 1 61 61 LEU CB C 13 42.344 0.022 . 1 . . 1307 . A 48 LEU CB . 34608 1 521 . 1 . 1 61 61 LEU CG C 13 27.116 0.001 . 1 . . 1309 . A 48 LEU CG . 34608 1 522 . 1 . 1 61 61 LEU CD1 C 13 23.477 0.039 . 2 . . 1302 . A 48 LEU CD1 . 34608 1 523 . 1 . 1 61 61 LEU CD2 C 13 25.860 0.028 . 2 . . 1305 . A 48 LEU CD2 . 34608 1 524 . 1 . 1 61 61 LEU N N 15 120.286 . . 1 . . 34 . A 48 LEU N . 34608 1 525 . 1 . 1 62 62 GLN H H 1 8.162 0.01 . 1 . . 740 . A 49 GLN H . 34608 1 526 . 1 . 1 62 62 GLN HA H 1 3.761 0.013 . 1 . . 1311 . A 49 GLN HA . 34608 1 527 . 1 . 1 62 62 GLN HB2 H 1 2.075 0.004 . 2 . . 1312 . A 49 GLN HB2 . 34608 1 528 . 1 . 1 62 62 GLN HB3 H 1 2.136 0.003 . 2 . . 1570 . A 49 GLN HB3 . 34608 1 529 . 1 . 1 62 62 GLN HG2 H 1 2.357 0.003 . 2 . . 1313 . A 49 GLN HG2 . 34608 1 530 . 1 . 1 62 62 GLN HG3 H 1 2.358 0.004 . 2 . . 1781 . A 49 GLN HG3 . 34608 1 531 . 1 . 1 62 62 GLN HE21 H 1 6.825 0.007 . 1 . . 727 . A 49 GLN HE21 . 34608 1 532 . 1 . 1 62 62 GLN HE22 H 1 7.434 0.005 . 1 . . 1777 . A 49 GLN HE22 . 34608 1 533 . 1 . 1 62 62 GLN CA C 13 58.512 0.017 . 1 . . 833 . A 49 GLN CA . 34608 1 534 . 1 . 1 62 62 GLN CB C 13 28.137 0.047 . 1 . . 834 . A 49 GLN CB . 34608 1 535 . 1 . 1 62 62 GLN CG C 13 34.017 0.045 . 1 . . 1314 . A 49 GLN CG . 34608 1 536 . 1 . 1 62 62 GLN N N 15 118.030 . . 1 . . 741 . A 49 GLN N . 34608 1 537 . 1 . 1 63 63 ASP H H 1 8.054 0.01 . 1 . . 172 . A 50 ASP H . 34608 1 538 . 1 . 1 63 63 ASP HA H 1 4.344 0.004 . 1 . . 1315 . A 50 ASP HA . 34608 1 539 . 1 . 1 63 63 ASP HB2 H 1 2.599 0.002 . 2 . . 1316 . A 50 ASP HB2 . 34608 1 540 . 1 . 1 63 63 ASP HB3 H 1 2.734 0.008 . 2 . . 1317 . A 50 ASP HB3 . 34608 1 541 . 1 . 1 63 63 ASP CA C 13 57.513 0.048 . 1 . . 578 . A 50 ASP CA . 34608 1 542 . 1 . 1 63 63 ASP CB C 13 40.272 0.029 . 1 . . 670 . A 50 ASP CB . 34608 1 543 . 1 . 1 63 63 ASP N N 15 119.720 . . 1 . . 173 . A 50 ASP N . 34608 1 544 . 1 . 1 64 64 MET H H 1 7.791 0.006 . 1 . . 1981 . A 51 MET H . 34608 1 545 . 1 . 1 64 64 MET HA H 1 3.965 0.009 . 1 . . 1319 . A 51 MET HA . 34608 1 546 . 1 . 1 64 64 MET HB2 H 1 1.913 0.003 . 2 . . 1982 . A 51 MET HB2 . 34608 1 547 . 1 . 1 64 64 MET HB3 H 1 2.228 0.001 . 2 . . 1984 . A 51 MET HB3 . 34608 1 548 . 1 . 1 64 64 MET HG2 H 1 2.717 0.004 . 2 . . 1320 . A 51 MET HG2 . 34608 1 549 . 1 . 1 64 64 MET HG3 H 1 2.470 0.001 . 2 . . 1610 . A 51 MET HG3 . 34608 1 550 . 1 . 1 64 64 MET HE1 H 1 1.972 0.002 . 1 . . 1323 . A 51 MET HE1 . 34608 1 551 . 1 . 1 64 64 MET HE2 H 1 1.972 0.002 . 1 . . 1323 . A 51 MET HE2 . 34608 1 552 . 1 . 1 64 64 MET HE3 H 1 1.972 0.002 . 1 . . 1323 . A 51 MET HE3 . 34608 1 553 . 1 . 1 64 64 MET CA C 13 59.305 0.048 . 1 . . 1318 . A 51 MET CA . 34608 1 554 . 1 . 1 64 64 MET CB C 13 33.282 0.043 . 1 . . 1983 . A 51 MET CB . 34608 1 555 . 1 . 1 64 64 MET CG C 13 32.575 0.037 . 1 . . 1321 . A 51 MET CG . 34608 1 556 . 1 . 1 64 64 MET CE C 13 17.239 0.023 . 1 . . 1322 . A 51 MET CE . 34608 1 557 . 1 . 1 65 65 ILE H H 1 7.638 0.011 . 1 . . 157 . A 52 ILE H . 34608 1 558 . 1 . 1 65 65 ILE HA H 1 3.427 0.003 . 1 . . 996 . A 52 ILE HA . 34608 1 559 . 1 . 1 65 65 ILE HB H 1 1.873 0.002 . 1 . . 997 . A 52 ILE HB . 34608 1 560 . 1 . 1 65 65 ILE HG12 H 1 0.945 0.003 . 2 . . 1000 . A 52 ILE HG12 . 34608 1 561 . 1 . 1 65 65 ILE HG13 H 1 1.610 0.008 . 2 . . 1725 . A 52 ILE HG13 . 34608 1 562 . 1 . 1 65 65 ILE HG21 H 1 0.615 0.004 . 1 . . 999 . A 52 ILE HG21 . 34608 1 563 . 1 . 1 65 65 ILE HG22 H 1 0.615 0.004 . 1 . . 999 . A 52 ILE HG22 . 34608 1 564 . 1 . 1 65 65 ILE HG23 H 1 0.615 0.004 . 1 . . 999 . A 52 ILE HG23 . 34608 1 565 . 1 . 1 65 65 ILE HD11 H 1 0.661 0.009 . 1 . . 998 . A 52 ILE HD11 . 34608 1 566 . 1 . 1 65 65 ILE HD12 H 1 0.661 0.009 . 1 . . 998 . A 52 ILE HD12 . 34608 1 567 . 1 . 1 65 65 ILE HD13 H 1 0.661 0.009 . 1 . . 998 . A 52 ILE HD13 . 34608 1 568 . 1 . 1 65 65 ILE CA C 13 64.786 0.063 . 1 . . 579 . A 52 ILE CA . 34608 1 569 . 1 . 1 65 65 ILE CB C 13 37.275 0.03 . 1 . . 639 . A 52 ILE CB . 34608 1 570 . 1 . 1 65 65 ILE CG1 C 13 28.992 0.05 . 1 . . 1724 . A 52 ILE CG1 . 34608 1 571 . 1 . 1 65 65 ILE CG2 C 13 15.948 0.019 . 1 . . 1001 . A 52 ILE CG2 . 34608 1 572 . 1 . 1 65 65 ILE CD1 C 13 12.899 0.029 . 1 . . 1002 . A 52 ILE CD1 . 34608 1 573 . 1 . 1 65 65 ILE N N 15 117.875 . . 1 . . 158 . A 52 ILE N . 34608 1 574 . 1 . 1 66 66 ASN H H 1 8.554 0.008 . 1 . . 62 . A 53 ASN H . 34608 1 575 . 1 . 1 66 66 ASN HA H 1 4.307 0.004 . 1 . . 1003 . A 53 ASN HA . 34608 1 576 . 1 . 1 66 66 ASN HB2 H 1 2.797 0.018 . 2 . . 1004 . A 53 ASN HB2 . 34608 1 577 . 1 . 1 66 66 ASN HB3 H 1 2.919 0.008 . 2 . . 1548 . A 53 ASN HB3 . 34608 1 578 . 1 . 1 66 66 ASN HD21 H 1 6.894 0.004 . 1 . . 1767 . A 53 ASN HD21 . 34608 1 579 . 1 . 1 66 66 ASN HD22 H 1 7.801 0.002 . 1 . . 1768 . A 53 ASN HD22 . 34608 1 580 . 1 . 1 66 66 ASN CA C 13 55.851 0.014 . 1 . . 580 . A 53 ASN CA . 34608 1 581 . 1 . 1 66 66 ASN CB C 13 37.972 0.015 . 1 . . 640 . A 53 ASN CB . 34608 1 582 . 1 . 1 66 66 ASN N N 15 117.482 . . 1 . . 63 . A 53 ASN N . 34608 1 583 . 1 . 1 67 67 GLU H H 1 7.522 0.009 . 1 . . 66 . A 54 GLU H . 34608 1 584 . 1 . 1 67 67 GLU HA H 1 3.947 0.007 . 1 . . 1006 . A 54 GLU HA . 34608 1 585 . 1 . 1 67 67 GLU HB2 H 1 2.063 0.001 . 2 . . 1008 . A 54 GLU HB2 . 34608 1 586 . 1 . 1 67 67 GLU HB3 H 1 1.934 0.001 . 2 . . 1611 . A 54 GLU HB3 . 34608 1 587 . 1 . 1 67 67 GLU HG2 H 1 2.200 0.003 . 2 . . 1010 . A 54 GLU HG2 . 34608 1 588 . 1 . 1 67 67 GLU HG3 H 1 2.357 0.006 . 2 . . 1612 . A 54 GLU HG3 . 34608 1 589 . 1 . 1 67 67 GLU CA C 13 58.868 0.005 . 1 . . 1005 . A 54 GLU CA . 34608 1 590 . 1 . 1 67 67 GLU CB C 13 30.342 0.053 . 1 . . 1007 . A 54 GLU CB . 34608 1 591 . 1 . 1 67 67 GLU CG C 13 36.226 0.047 . 1 . . 1009 . A 54 GLU CG . 34608 1 592 . 1 . 1 67 67 GLU N N 15 116.087 . . 1 . . 67 . A 54 GLU N . 34608 1 593 . 1 . 1 68 68 VAL H H 1 7.146 0.011 . 1 . . 237 . A 55 VAL H . 34608 1 594 . 1 . 1 68 68 VAL HA H 1 4.417 0.004 . 1 . . 1011 . A 55 VAL HA . 34608 1 595 . 1 . 1 68 68 VAL HB H 1 2.334 0.005 . 1 . . 1013 . A 55 VAL HB . 34608 1 596 . 1 . 1 68 68 VAL HG11 H 1 0.838 0.002 . 2 . . 1015 . A 55 VAL HG11 . 34608 1 597 . 1 . 1 68 68 VAL HG12 H 1 0.838 0.002 . 2 . . 1015 . A 55 VAL HG12 . 34608 1 598 . 1 . 1 68 68 VAL HG13 H 1 0.838 0.002 . 2 . . 1015 . A 55 VAL HG13 . 34608 1 599 . 1 . 1 68 68 VAL HG21 H 1 0.741 0.004 . 2 . . 1017 . A 55 VAL HG21 . 34608 1 600 . 1 . 1 68 68 VAL HG22 H 1 0.741 0.004 . 2 . . 1017 . A 55 VAL HG22 . 34608 1 601 . 1 . 1 68 68 VAL HG23 H 1 0.741 0.004 . 2 . . 1017 . A 55 VAL HG23 . 34608 1 602 . 1 . 1 68 68 VAL CA C 13 60.615 0.043 . 1 . . 581 . A 55 VAL CA . 34608 1 603 . 1 . 1 68 68 VAL CB C 13 32.678 0.02 . 1 . . 1012 . A 55 VAL CB . 34608 1 604 . 1 . 1 68 68 VAL CG1 C 13 19.306 0.018 . 2 . . 1014 . A 55 VAL CG1 . 34608 1 605 . 1 . 1 68 68 VAL CG2 C 13 21.881 0.093 . 2 . . 1016 . A 55 VAL CG2 . 34608 1 606 . 1 . 1 68 68 VAL N N 15 107.865 . . 1 . . 251 . A 55 VAL N . 34608 1 607 . 1 . 1 69 69 ASP H H 1 7.593 0.012 . 1 . . 202 . A 56 ASP H . 34608 1 608 . 1 . 1 69 69 ASP HA H 1 4.556 0.003 . 1 . . 1018 . A 56 ASP HA . 34608 1 609 . 1 . 1 69 69 ASP HB2 H 1 2.671 0.009 . 2 . . 1019 . A 56 ASP HB2 . 34608 1 610 . 1 . 1 69 69 ASP HB3 H 1 2.497 0.01 . 2 . . 1561 . A 56 ASP HB3 . 34608 1 611 . 1 . 1 69 69 ASP CA C 13 53.630 0.065 . 1 . . 582 . A 56 ASP CA . 34608 1 612 . 1 . 1 69 69 ASP CB C 13 40.159 0.056 . 1 . . 641 . A 56 ASP CB . 34608 1 613 . 1 . 1 69 69 ASP N N 15 121.593 . . 1 . . 527 . A 56 ASP N . 34608 1 614 . 1 . 1 70 70 ALA H H 1 8.406 0.011 . 1 . . 155 . A 57 ALA H . 34608 1 615 . 1 . 1 70 70 ALA HA H 1 4.073 0.001 . 1 . . 1020 . A 57 ALA HA . 34608 1 616 . 1 . 1 70 70 ALA HB1 H 1 1.438 0.001 . 1 . . 1021 . A 57 ALA HB1 . 34608 1 617 . 1 . 1 70 70 ALA HB2 H 1 1.438 0.001 . 1 . . 1021 . A 57 ALA HB2 . 34608 1 618 . 1 . 1 70 70 ALA HB3 H 1 1.438 0.001 . 1 . . 1021 . A 57 ALA HB3 . 34608 1 619 . 1 . 1 70 70 ALA CA C 13 54.266 0.062 . 1 . . 615 . A 57 ALA CA . 34608 1 620 . 1 . 1 70 70 ALA CB C 13 19.468 0.037 . 1 . . 642 . A 57 ALA CB . 34608 1 621 . 1 . 1 70 70 ALA N N 15 131.526 . . 1 . . 156 . A 57 ALA N . 34608 1 622 . 1 . 1 71 71 ASP H H 1 8.079 0.011 . 1 . . 86 . A 58 ASP H . 34608 1 623 . 1 . 1 71 71 ASP HA H 1 4.568 0.003 . 1 . . 1023 . A 58 ASP HA . 34608 1 624 . 1 . 1 71 71 ASP HB2 H 1 2.586 . . 2 . . 1025 . A 58 ASP HB2 . 34608 1 625 . 1 . 1 71 71 ASP HB3 H 1 2.970 0.003 . 2 . . 1026 . A 58 ASP HB3 . 34608 1 626 . 1 . 1 71 71 ASP CA C 13 52.585 0.04 . 1 . . 1022 . A 58 ASP CA . 34608 1 627 . 1 . 1 71 71 ASP CB C 13 40.110 0.002 . 1 . . 1024 . A 58 ASP CB . 34608 1 628 . 1 . 1 71 71 ASP N N 15 113.362 . . 1 . . 87 . A 58 ASP N . 34608 1 629 . 1 . 1 72 72 GLY H H 1 7.506 0.012 . 1 . . 131 . A 59 GLY H . 34608 1 630 . 1 . 1 72 72 GLY HA2 H 1 3.714 0.001 . 2 . . 1330 . A 59 GLY HA2 . 34608 1 631 . 1 . 1 72 72 GLY HA3 H 1 3.820 0.001 . 2 . . 1331 . A 59 GLY HA3 . 34608 1 632 . 1 . 1 72 72 GLY CA C 13 47.032 0.152 . 1 . . 1329 . A 59 GLY CA . 34608 1 633 . 1 . 1 72 72 GLY N N 15 108.079 . . 1 . . 1970 . A 59 GLY N . 34608 1 634 . 1 . 1 73 73 ASN H H 1 8.007 0.006 . 1 . . 145 . A 60 ASN H . 34608 1 635 . 1 . 1 73 73 ASN HA H 1 4.571 0.002 . 1 . . 1325 . A 60 ASN HA . 34608 1 636 . 1 . 1 73 73 ASN HB2 H 1 2.574 0.007 . 2 . . 1326 . A 60 ASN HB2 . 34608 1 637 . 1 . 1 73 73 ASN HB3 H 1 3.235 0.002 . 2 . . 1327 . A 60 ASN HB3 . 34608 1 638 . 1 . 1 73 73 ASN HD21 H 1 6.905 0.001 . 1 . . 1769 . A 60 ASN HD21 . 34608 1 639 . 1 . 1 73 73 ASN HD22 H 1 7.686 0.006 . 1 . . 1770 . A 60 ASN HD22 . 34608 1 640 . 1 . 1 73 73 ASN CA C 13 52.541 0.063 . 1 . . 1324 . A 60 ASN CA . 34608 1 641 . 1 . 1 73 73 ASN CB C 13 37.717 0.083 . 1 . . 643 . A 60 ASN CB . 34608 1 642 . 1 . 1 73 73 ASN N N 15 118.731 . . 1 . . 146 . A 60 ASN N . 34608 1 643 . 1 . 1 74 74 GLY H H 1 10.556 0.01 . 1 . . 151 . A 61 GLY H . 34608 1 644 . 1 . 1 74 74 GLY HA2 H 1 3.413 0.004 . 2 . . 1027 . A 61 GLY HA2 . 34608 1 645 . 1 . 1 74 74 GLY HA3 H 1 4.138 0.005 . 2 . . 1328 . A 61 GLY HA3 . 34608 1 646 . 1 . 1 74 74 GLY CA C 13 45.646 0.044 . 1 . . 583 . A 61 GLY CA . 34608 1 647 . 1 . 1 74 74 GLY N N 15 113.199 . . 1 . . 152 . A 61 GLY N . 34608 1 648 . 1 . 1 75 75 THR H H 1 7.616 0.009 . 1 . . 255 . A 62 THR H . 34608 1 649 . 1 . 1 75 75 THR HA H 1 4.710 0.008 . 1 . . 1761 . A 62 THR HA . 34608 1 650 . 1 . 1 75 75 THR HB H 1 3.945 0.002 . 1 . . 1030 . A 62 THR HB . 34608 1 651 . 1 . 1 75 75 THR HG21 H 1 1.044 0.001 . 1 . . 1029 . A 62 THR HG21 . 34608 1 652 . 1 . 1 75 75 THR HG22 H 1 1.044 0.001 . 1 . . 1029 . A 62 THR HG22 . 34608 1 653 . 1 . 1 75 75 THR HG23 H 1 1.044 0.001 . 1 . . 1029 . A 62 THR HG23 . 34608 1 654 . 1 . 1 75 75 THR CA C 13 59.305 . . 1 . . 584 . A 62 THR CA . 34608 1 655 . 1 . 1 75 75 THR CB C 13 71.975 0.025 . 1 . . 644 . A 62 THR CB . 34608 1 656 . 1 . 1 75 75 THR CG2 C 13 22.319 0.074 . 1 . . 1028 . A 62 THR CG2 . 34608 1 657 . 1 . 1 75 75 THR N N 15 108.700 . . 1 . . 256 . A 62 THR N . 34608 1 658 . 1 . 1 76 76 ILE H H 1 8.838 0.014 . 1 . . 240 . A 63 ILE H . 34608 1 659 . 1 . 1 76 76 ILE HA H 1 5.114 0.005 . 1 . . 1218 . A 63 ILE HA . 34608 1 660 . 1 . 1 76 76 ILE HB H 1 1.995 0.005 . 1 . . 1226 . A 63 ILE HB . 34608 1 661 . 1 . 1 76 76 ILE HG12 H 1 0.920 0.002 . 2 . . 1224 . A 63 ILE HG12 . 34608 1 662 . 1 . 1 76 76 ILE HG13 H 1 1.487 0.01 . 2 . . 1225 . A 63 ILE HG13 . 34608 1 663 . 1 . 1 76 76 ILE HG21 H 1 1.158 0.002 . 1 . . 1220 . A 63 ILE HG21 . 34608 1 664 . 1 . 1 76 76 ILE HG22 H 1 1.158 0.002 . 1 . . 1220 . A 63 ILE HG22 . 34608 1 665 . 1 . 1 76 76 ILE HG23 H 1 1.158 0.002 . 1 . . 1220 . A 63 ILE HG23 . 34608 1 666 . 1 . 1 76 76 ILE HD11 H 1 0.735 0.005 . 1 . . 1222 . A 63 ILE HD11 . 34608 1 667 . 1 . 1 76 76 ILE HD12 H 1 0.735 0.005 . 1 . . 1222 . A 63 ILE HD12 . 34608 1 668 . 1 . 1 76 76 ILE HD13 H 1 0.735 0.005 . 1 . . 1222 . A 63 ILE HD13 . 34608 1 669 . 1 . 1 76 76 ILE CA C 13 59.913 0.004 . 1 . . 585 . A 63 ILE CA . 34608 1 670 . 1 . 1 76 76 ILE CB C 13 39.755 0.038 . 1 . . 1227 . A 63 ILE CB . 34608 1 671 . 1 . 1 76 76 ILE CG1 C 13 27.391 0.048 . 1 . . 1223 . A 63 ILE CG1 . 34608 1 672 . 1 . 1 76 76 ILE CG2 C 13 18.362 0.016 . 1 . . 1219 . A 63 ILE CG2 . 34608 1 673 . 1 . 1 76 76 ILE CD1 C 13 13.525 0.057 . 1 . . 1221 . A 63 ILE CD1 . 34608 1 674 . 1 . 1 76 76 ILE N N 15 123.366 . . 1 . . 253 . A 63 ILE N . 34608 1 675 . 1 . 1 77 77 ASP H H 1 8.751 0.013 . 1 . . 3 . A 64 ASP H . 34608 1 676 . 1 . 1 77 77 ASP HA H 1 5.299 0.003 . 1 . . 1365 . A 64 ASP HA . 34608 1 677 . 1 . 1 77 77 ASP HB2 H 1 2.764 0.008 . 2 . . 1366 . A 64 ASP HB2 . 34608 1 678 . 1 . 1 77 77 ASP HB3 H 1 3.043 0.008 . 2 . . 1367 . A 64 ASP HB3 . 34608 1 679 . 1 . 1 77 77 ASP CA C 13 52.109 0.05 . 1 . . 586 . A 64 ASP CA . 34608 1 680 . 1 . 1 77 77 ASP CB C 13 42.085 0.06 . 1 . . 1368 . A 64 ASP CB . 34608 1 681 . 1 . 1 77 77 ASP N N 15 127.880 . . 1 . . 4 . A 64 ASP N . 34608 1 682 . 1 . 1 78 78 PHE H H 1 8.878 0.012 . 1 . . 56 . A 65 PHE H . 34608 1 683 . 1 . 1 78 78 PHE HA H 1 3.946 0.004 . 1 . . 1369 . A 65 PHE HA . 34608 1 684 . 1 . 1 78 78 PHE HB2 H 1 2.049 0.011 . 2 . . 1845 . A 65 PHE HB2 . 34608 1 685 . 1 . 1 78 78 PHE HB3 H 1 2.744 0.002 . 2 . . 1846 . A 65 PHE HB3 . 34608 1 686 . 1 . 1 78 78 PHE HD1 H 1 6.690 0.002 . 1 . . 1802 . A 65 PHE HD1 . 34608 1 687 . 1 . 1 78 78 PHE HD2 H 1 6.690 0.002 . 1 . . 1802 . A 65 PHE HD2 . 34608 1 688 . 1 . 1 78 78 PHE HE1 H 1 7.118 0.006 . 1 . . 1370 . A 65 PHE HE1 . 34608 1 689 . 1 . 1 78 78 PHE HE2 H 1 7.118 0.006 . 1 . . 1370 . A 65 PHE HE2 . 34608 1 690 . 1 . 1 78 78 PHE CA C 13 63.390 0.059 . 1 . . 616 . A 65 PHE CA . 34608 1 691 . 1 . 1 78 78 PHE CB C 13 35.886 0.05 . 1 . . 1844 . A 65 PHE CB . 34608 1 692 . 1 . 1 78 78 PHE CD1 C 13 131.751 0.013 . 1 . . 1803 . A 65 PHE CD1 . 34608 1 693 . 1 . 1 78 78 PHE CD2 C 13 131.751 0.013 . 1 . . 1803 . A 65 PHE CD2 . 34608 1 694 . 1 . 1 78 78 PHE CE1 C 13 130.466 0.078 . 1 . . 1371 . A 65 PHE CE1 . 34608 1 695 . 1 . 1 78 78 PHE CE2 C 13 130.466 0.078 . 1 . . 1371 . A 65 PHE CE2 . 34608 1 696 . 1 . 1 78 78 PHE N N 15 118.355 . . 1 . . 57 . A 65 PHE N . 34608 1 697 . 1 . 1 79 79 PRO HA H 1 3.784 0.004 . 1 . . 1613 . A 66 PRO HA . 34608 1 698 . 1 . 1 79 79 PRO HB2 H 1 1.831 0.004 . 2 . . 1580 . A 66 PRO HB2 . 34608 1 699 . 1 . 1 79 79 PRO HB3 H 1 2.153 0.006 . 2 . . 1614 . A 66 PRO HB3 . 34608 1 700 . 1 . 1 79 79 PRO HG2 H 1 1.827 0.001 . 2 . . 1577 . A 66 PRO HG2 . 34608 1 701 . 1 . 1 79 79 PRO HG3 H 1 2.114 0.004 . 2 . . 1838 . A 66 PRO HG3 . 34608 1 702 . 1 . 1 79 79 PRO HD2 H 1 3.702 0.006 . 1 . . 1578 . A 66 PRO HD2 . 34608 1 703 . 1 . 1 79 79 PRO CA C 13 66.612 0.026 . 1 . . 854 . A 66 PRO CA . 34608 1 704 . 1 . 1 79 79 PRO CB C 13 30.604 0.045 . 1 . . 1582 . A 66 PRO CB . 34608 1 705 . 1 . 1 79 79 PRO CG C 13 28.526 0.056 . 1 . . 1581 . A 66 PRO CG . 34608 1 706 . 1 . 1 79 79 PRO CD C 13 48.983 0.031 . 1 . . 1579 . A 66 PRO CD . 34608 1 707 . 1 . 1 80 80 GLU H H 1 7.899 0.001 . 1 . . 1913 . A 67 GLU H . 34608 1 708 . 1 . 1 80 80 GLU HG2 H 1 2.429 . . 2 . . 2130 . A 67 GLU HG2 . 34608 1 709 . 1 . 1 80 80 GLU HG3 H 1 2.916 . . 2 . . 2132 . A 67 GLU HG3 . 34608 1 710 . 1 . 1 80 80 GLU CG C 13 36.945 0.001 . 1 . . 2131 . A 67 GLU CG . 34608 1 711 . 1 . 1 81 81 PHE H H 1 8.807 0.009 . 1 . . 699 . A 68 PHE H . 34608 1 712 . 1 . 1 81 81 PHE HA H 1 3.901 0.008 . 1 . . 1376 . A 68 PHE HA . 34608 1 713 . 1 . 1 81 81 PHE HB2 H 1 3.111 0.003 . 2 . . 1377 . A 68 PHE HB2 . 34608 1 714 . 1 . 1 81 81 PHE HB3 H 1 3.432 0.006 . 2 . . 1542 . A 68 PHE HB3 . 34608 1 715 . 1 . 1 81 81 PHE HD1 H 1 6.858 0.003 . 1 . . 1788 . A 68 PHE HD1 . 34608 1 716 . 1 . 1 81 81 PHE HD2 H 1 6.858 0.003 . 1 . . 1788 . A 68 PHE HD2 . 34608 1 717 . 1 . 1 81 81 PHE HE1 H 1 7.065 0.005 . 1 . . 1791 . A 68 PHE HE1 . 34608 1 718 . 1 . 1 81 81 PHE HE2 H 1 7.065 0.005 . 1 . . 1791 . A 68 PHE HE2 . 34608 1 719 . 1 . 1 81 81 PHE HZ H 1 7.109 0.007 . 1 . . 2036 . A 68 PHE HZ . 34608 1 720 . 1 . 1 81 81 PHE CA C 13 61.350 0.105 . 1 . . 838 . A 68 PHE CA . 34608 1 721 . 1 . 1 81 81 PHE CB C 13 39.995 0.082 . 1 . . 1378 . A 68 PHE CB . 34608 1 722 . 1 . 1 81 81 PHE CD1 C 13 131.652 0.072 . 1 . . 1789 . A 68 PHE CD1 . 34608 1 723 . 1 . 1 81 81 PHE CD2 C 13 131.652 0.072 . 1 . . 1789 . A 68 PHE CD2 . 34608 1 724 . 1 . 1 81 81 PHE CE1 C 13 131.436 0.036 . 1 . . 1790 . A 68 PHE CE1 . 34608 1 725 . 1 . 1 81 81 PHE CE2 C 13 131.436 0.036 . 1 . . 1790 . A 68 PHE CE2 . 34608 1 726 . 1 . 1 81 81 PHE CZ C 13 129.450 0.098 . 1 . . 2037 . A 68 PHE CZ . 34608 1 727 . 1 . 1 81 81 PHE N N 15 123.353 . . 1 . . 700 . A 68 PHE N . 34608 1 728 . 1 . 1 82 82 LEU H H 1 8.335 0.005 . 1 . . 753 . A 69 LEU H . 34608 1 729 . 1 . 1 82 82 LEU HA H 1 3.283 0.004 . 1 . . 1031 . A 69 LEU HA . 34608 1 730 . 1 . 1 82 82 LEU HB2 H 1 1.034 0.003 . 2 . . 1038 . A 69 LEU HB2 . 34608 1 731 . 1 . 1 82 82 LEU HB3 H 1 1.518 0.001 . 2 . . 1039 . A 69 LEU HB3 . 34608 1 732 . 1 . 1 82 82 LEU HG H 1 0.923 0.004 . 1 . . 1035 . A 69 LEU HG . 34608 1 733 . 1 . 1 82 82 LEU HD11 H 1 0.555 0.007 . 2 . . 1034 . A 69 LEU HD11 . 34608 1 734 . 1 . 1 82 82 LEU HD12 H 1 0.555 0.007 . 2 . . 1034 . A 69 LEU HD12 . 34608 1 735 . 1 . 1 82 82 LEU HD13 H 1 0.555 0.007 . 2 . . 1034 . A 69 LEU HD13 . 34608 1 736 . 1 . 1 82 82 LEU HD21 H 1 0.532 0.005 . 2 . . 1040 . A 69 LEU HD21 . 34608 1 737 . 1 . 1 82 82 LEU HD22 H 1 0.532 0.005 . 2 . . 1040 . A 69 LEU HD22 . 34608 1 738 . 1 . 1 82 82 LEU HD23 H 1 0.532 0.005 . 2 . . 1040 . A 69 LEU HD23 . 34608 1 739 . 1 . 1 82 82 LEU CA C 13 57.840 0.031 . 1 . . 837 . A 69 LEU CA . 34608 1 740 . 1 . 1 82 82 LEU CB C 13 41.016 0.025 . 1 . . 1037 . A 69 LEU CB . 34608 1 741 . 1 . 1 82 82 LEU CG C 13 25.629 0.008 . 1 . . 1036 . A 69 LEU CG . 34608 1 742 . 1 . 1 82 82 LEU CD1 C 13 24.129 0.028 . 2 . . 1033 . A 69 LEU CD1 . 34608 1 743 . 1 . 1 82 82 LEU CD2 C 13 25.564 0.015 . 2 . . 1032 . A 69 LEU CD2 . 34608 1 744 . 1 . 1 82 82 LEU N N 15 118.829 . . 1 . . 754 . A 69 LEU N . 34608 1 745 . 1 . 1 83 83 THR H H 1 7.446 0.011 . 1 . . 725 . A 70 THR H . 34608 1 746 . 1 . 1 83 83 THR HA H 1 3.656 0.005 . 1 . . 1333 . A 70 THR HA . 34608 1 747 . 1 . 1 83 83 THR HB H 1 4.265 0.004 . 1 . . 1335 . A 70 THR HB . 34608 1 748 . 1 . 1 83 83 THR HG21 H 1 1.124 0.013 . 1 . . 1334 . A 70 THR HG21 . 34608 1 749 . 1 . 1 83 83 THR HG22 H 1 1.124 0.013 . 1 . . 1334 . A 70 THR HG22 . 34608 1 750 . 1 . 1 83 83 THR HG23 H 1 1.124 0.013 . 1 . . 1334 . A 70 THR HG23 . 34608 1 751 . 1 . 1 83 83 THR CA C 13 66.609 0.061 . 1 . . 836 . A 70 THR CA . 34608 1 752 . 1 . 1 83 83 THR CB C 13 68.314 0.044 . 1 . . 1332 . A 70 THR CB . 34608 1 753 . 1 . 1 83 83 THR CG2 C 13 22.079 0.058 . 1 . . 1336 . A 70 THR CG2 . 34608 1 754 . 1 . 1 83 83 THR N N 15 115.072 . . 1 . . 726 . A 70 THR N . 34608 1 755 . 1 . 1 84 84 MET H H 1 7.729 0.011 . 1 . . 716 . A 71 MET H . 34608 1 756 . 1 . 1 84 84 MET HA H 1 3.681 0.002 . 1 . . 1822 . A 71 MET HA . 34608 1 757 . 1 . 1 84 84 MET HB2 H 1 1.892 0.005 . 2 . . 1494 . A 71 MET HB2 . 34608 1 758 . 1 . 1 84 84 MET HB3 H 1 2.068 0.003 . 2 . . 1495 . A 71 MET HB3 . 34608 1 759 . 1 . 1 84 84 MET HG2 H 1 2.357 0.002 . 2 . . 1496 . A 71 MET HG2 . 34608 1 760 . 1 . 1 84 84 MET HG3 H 1 2.029 0.002 . 2 . . 1824 . A 71 MET HG3 . 34608 1 761 . 1 . 1 84 84 MET HE1 H 1 1.695 0.002 . 1 . . 1492 . A 71 MET HE1 . 34608 1 762 . 1 . 1 84 84 MET HE2 H 1 1.695 0.002 . 1 . . 1492 . A 71 MET HE2 . 34608 1 763 . 1 . 1 84 84 MET HE3 H 1 1.695 0.002 . 1 . . 1492 . A 71 MET HE3 . 34608 1 764 . 1 . 1 84 84 MET CA C 13 58.913 0.026 . 1 . . 1821 . A 71 MET CA . 34608 1 765 . 1 . 1 84 84 MET CB C 13 33.396 0.018 . 1 . . 1620 . A 71 MET CB . 34608 1 766 . 1 . 1 84 84 MET CG C 13 31.410 0.046 . 1 . . 1823 . A 71 MET CG . 34608 1 767 . 1 . 1 84 84 MET CE C 13 17.377 0.037 . 1 . . 1493 . A 71 MET CE . 34608 1 768 . 1 . 1 84 84 MET N N 15 121.192 . . 1 . . 717 . A 71 MET N . 34608 1 769 . 1 . 1 85 85 MET H H 1 8.000 0.01 . 1 . . 722 . A 72 MET H . 34608 1 770 . 1 . 1 85 85 MET HA H 1 3.918 0.007 . 1 . . 1623 . A 72 MET HA . 34608 1 771 . 1 . 1 85 85 MET HB2 H 1 1.221 0.003 . 2 . . 1621 . A 72 MET HB2 . 34608 1 772 . 1 . 1 85 85 MET HB3 H 1 1.330 0.001 . 2 . . 1624 . A 72 MET HB3 . 34608 1 773 . 1 . 1 85 85 MET HG2 H 1 1.000 0.002 . 2 . . 1625 . A 72 MET HG2 . 34608 1 774 . 1 . 1 85 85 MET HG3 H 1 0.928 0.01 . 2 . . 1820 . A 72 MET HG3 . 34608 1 775 . 1 . 1 85 85 MET HE1 H 1 1.621 0.001 . 1 . . 1497 . A 72 MET HE1 . 34608 1 776 . 1 . 1 85 85 MET HE2 H 1 1.621 0.001 . 1 . . 1497 . A 72 MET HE2 . 34608 1 777 . 1 . 1 85 85 MET HE3 H 1 1.621 0.001 . 1 . . 1497 . A 72 MET HE3 . 34608 1 778 . 1 . 1 85 85 MET CA C 13 55.650 0.027 . 1 . . 850 . A 72 MET CA . 34608 1 779 . 1 . 1 85 85 MET CB C 13 32.072 0.039 . 1 . . 1622 . A 72 MET CB . 34608 1 780 . 1 . 1 85 85 MET CG C 13 30.923 0.067 . 1 . . 1626 . A 72 MET CG . 34608 1 781 . 1 . 1 85 85 MET CE C 13 17.562 0.035 . 1 . . 1498 . A 72 MET CE . 34608 1 782 . 1 . 1 85 85 MET N N 15 116.249 . . 1 . . 723 . A 72 MET N . 34608 1 783 . 1 . 1 86 86 ALA H H 1 8.233 0.008 . 1 . . 695 . A 73 ALA H . 34608 1 784 . 1 . 1 86 86 ALA HA H 1 3.920 0.004 . 1 . . 1041 . A 73 ALA HA . 34608 1 785 . 1 . 1 86 86 ALA HB1 H 1 1.305 0.003 . 1 . . 1042 . A 73 ALA HB1 . 34608 1 786 . 1 . 1 86 86 ALA HB2 H 1 1.305 0.003 . 1 . . 1042 . A 73 ALA HB2 . 34608 1 787 . 1 . 1 86 86 ALA HB3 H 1 1.305 0.003 . 1 . . 1042 . A 73 ALA HB3 . 34608 1 788 . 1 . 1 86 86 ALA CA C 13 55.653 0.032 . 1 . . 851 . A 73 ALA CA . 34608 1 789 . 1 . 1 86 86 ALA CB C 13 18.265 0.048 . 1 . . 852 . A 73 ALA CB . 34608 1 790 . 1 . 1 86 86 ALA N N 15 122.219 . . 1 . . 696 . A 73 ALA N . 34608 1 791 . 1 . 1 87 87 ARG H H 1 7.574 0.008 . 1 . . 697 . A 74 ARG H . 34608 1 792 . 1 . 1 87 87 ARG HA H 1 3.983 0.001 . 1 . . 1044 . A 74 ARG HA . 34608 1 793 . 1 . 1 87 87 ARG HB2 H 1 1.733 0.003 . 2 . . 1045 . A 74 ARG HB2 . 34608 1 794 . 1 . 1 87 87 ARG HB3 H 1 1.801 0.0 . 2 . . 1814 . A 74 ARG HB3 . 34608 1 795 . 1 . 1 87 87 ARG HG2 H 1 1.540 0.0 . 2 . . 1046 . A 74 ARG HG2 . 34608 1 796 . 1 . 1 87 87 ARG HG3 H 1 1.692 0.001 . 2 . . 1815 . A 74 ARG HG3 . 34608 1 797 . 1 . 1 87 87 ARG HD2 H 1 2.980 0.002 . 1 . . 1047 . A 74 ARG HD2 . 34608 1 798 . 1 . 1 87 87 ARG HE H 1 7.176 0.022 . 1 . . 2008 . A 74 ARG HE . 34608 1 799 . 1 . 1 87 87 ARG CA C 13 58.389 0.005 . 1 . . 1043 . A 74 ARG CA . 34608 1 800 . 1 . 1 87 87 ARG CB C 13 30.203 0.004 . 1 . . 853 . A 74 ARG CB . 34608 1 801 . 1 . 1 87 87 ARG CG C 13 27.454 0.036 . 1 . . 1049 . A 74 ARG CG . 34608 1 802 . 1 . 1 87 87 ARG CD C 13 43.636 0.035 . 1 . . 1048 . A 74 ARG CD . 34608 1 803 . 1 . 1 87 87 ARG N N 15 116.364 . . 1 . . 698 . A 74 ARG N . 34608 1 804 . 1 . 1 87 87 ARG NE N 15 84.329 . . 1 . . 2009 . A 74 ARG NE . 34608 1 805 . 1 . 1 88 88 LYS H H 1 7.770 . . 1 . . 2059 . A 75 LYS H . 34608 1 806 . 1 . 1 88 88 LYS HA H 1 4.131 0.012 . 1 . . 2057 . A 75 LYS HA . 34608 1 807 . 1 . 1 88 88 LYS HB2 H 1 1.571 . . 1 . . 2062 . A 75 LYS HB2 . 34608 1 808 . 1 . 1 88 88 LYS HG2 H 1 1.417 0.015 . 1 . . 2060 . A 75 LYS HG2 . 34608 1 809 . 1 . 1 88 88 LYS HD2 H 1 1.756 . . 2 . . 2063 . A 75 LYS HD2 . 34608 1 810 . 1 . 1 88 88 LYS HD3 H 1 1.813 . . 2 . . 2064 . A 75 LYS HD3 . 34608 1 811 . 1 . 1 88 88 LYS HE2 H 1 2.834 0.001 . 1 . . 1985 . A 75 LYS HE2 . 34608 1 812 . 1 . 1 88 88 LYS CA C 13 57.286 0.017 . 1 . . 2058 . A 75 LYS CA . 34608 1 813 . 1 . 1 88 88 LYS CG C 13 24.817 0.001 . 1 . . 2061 . A 75 LYS CG . 34608 1 814 . 1 . 1 88 88 LYS CE C 13 41.965 0.02 . 1 . . 1986 . A 75 LYS CE . 34608 1 815 . 1 . 1 89 89 MET H H 1 7.569 0.011 . 1 . . 2056 . A 76 MET H . 34608 1 816 . 1 . 1 89 89 MET HA H 1 4.012 0.003 . 1 . . 1864 . A 76 MET HA . 34608 1 817 . 1 . 1 89 89 MET HB2 H 1 2.104 0.013 . 2 . . 1866 . A 76 MET HB2 . 34608 1 818 . 1 . 1 89 89 MET HB3 H 1 2.047 0.012 . 2 . . 1867 . A 76 MET HB3 . 34608 1 819 . 1 . 1 89 89 MET HG2 H 1 2.546 0.003 . 2 . . 1869 . A 76 MET HG2 . 34608 1 820 . 1 . 1 89 89 MET HG3 H 1 2.651 0.007 . 2 . . 1870 . A 76 MET HG3 . 34608 1 821 . 1 . 1 89 89 MET HE1 H 1 2.037 0.006 . 1 . . 1872 . A 76 MET HE1 . 34608 1 822 . 1 . 1 89 89 MET HE2 H 1 2.037 0.006 . 1 . . 1872 . A 76 MET HE2 . 34608 1 823 . 1 . 1 89 89 MET HE3 H 1 2.037 0.006 . 1 . . 1872 . A 76 MET HE3 . 34608 1 824 . 1 . 1 89 89 MET CA C 13 54.506 0.02 . 1 . . 1863 . A 76 MET CA . 34608 1 825 . 1 . 1 89 89 MET CB C 13 33.077 0.06 . 1 . . 1865 . A 76 MET CB . 34608 1 826 . 1 . 1 89 89 MET CG C 13 32.077 0.029 . 1 . . 1868 . A 76 MET CG . 34608 1 827 . 1 . 1 89 89 MET CE C 13 17.058 0.035 . 1 . . 1871 . A 76 MET CE . 34608 1 828 . 1 . 1 90 90 LYS H H 1 7.778 0.01 . 1 . . 1994 . A 77 LYS H . 34608 1 829 . 1 . 1 90 90 LYS HA H 1 4.249 0.007 . 1 . . 1990 . A 77 LYS HA . 34608 1 830 . 1 . 1 90 90 LYS HB2 H 1 1.802 0.002 . 2 . . 1987 . A 77 LYS HB2 . 34608 1 831 . 1 . 1 90 90 LYS HB3 H 1 1.737 0.001 . 2 . . 1989 . A 77 LYS HB3 . 34608 1 832 . 1 . 1 90 90 LYS HG2 H 1 1.385 0.001 . 1 . . 1992 . A 77 LYS HG2 . 34608 1 833 . 1 . 1 90 90 LYS HD2 H 1 1.597 0.0 . 1 . . 1997 . A 77 LYS HD2 . 34608 1 834 . 1 . 1 90 90 LYS HE2 H 1 2.942 . . 1 . . 1995 . A 77 LYS HE2 . 34608 1 835 . 1 . 1 90 90 LYS CA C 13 56.560 0.067 . 1 . . 1991 . A 77 LYS CA . 34608 1 836 . 1 . 1 90 90 LYS CB C 13 32.915 0.015 . 1 . . 1988 . A 77 LYS CB . 34608 1 837 . 1 . 1 90 90 LYS CG C 13 24.548 0.012 . 1 . . 1993 . A 77 LYS CG . 34608 1 838 . 1 . 1 90 90 LYS CD C 13 29.114 0.0 . 1 . . 1998 . A 77 LYS CD . 34608 1 839 . 1 . 1 90 90 LYS CE C 13 42.073 . . 1 . . 1996 . A 77 LYS CE . 34608 1 840 . 1 . 1 91 91 ASP H H 1 8.252 0.006 . 1 . . 1734 . A 78 ASP H . 34608 1 841 . 1 . 1 91 91 ASP HA H 1 4.604 0.005 . 1 . . 1338 . A 78 ASP HA . 34608 1 842 . 1 . 1 91 91 ASP HB2 H 1 2.607 0.0 . 2 . . 1339 . A 78 ASP HB2 . 34608 1 843 . 1 . 1 91 91 ASP HB3 H 1 2.697 0.005 . 2 . . 1340 . A 78 ASP HB3 . 34608 1 844 . 1 . 1 91 91 ASP CA C 13 54.651 0.006 . 1 . . 1337 . A 78 ASP CA . 34608 1 845 . 1 . 1 91 91 ASP CB C 13 41.041 0.052 . 1 . . 671 . A 78 ASP CB . 34608 1 846 . 1 . 1 91 91 ASP N N 15 121.464 . . 1 . . 1735 . A 78 ASP N . 34608 1 847 . 1 . 1 92 92 THR H H 1 8.028 0.01 . 1 . . 539 . A 79 THR H . 34608 1 848 . 1 . 1 92 92 THR HA H 1 4.239 0.001 . 1 . . 1567 . A 79 THR HA . 34608 1 849 . 1 . 1 92 92 THR HB H 1 4.175 0.001 . 1 . . 1290 . A 79 THR HB . 34608 1 850 . 1 . 1 92 92 THR HG21 H 1 1.135 0.006 . 1 . . 1289 . A 79 THR HG21 . 34608 1 851 . 1 . 1 92 92 THR HG22 H 1 1.135 0.006 . 1 . . 1289 . A 79 THR HG22 . 34608 1 852 . 1 . 1 92 92 THR HG23 H 1 1.135 0.006 . 1 . . 1289 . A 79 THR HG23 . 34608 1 853 . 1 . 1 92 92 THR CA C 13 62.255 0.013 . 1 . . 587 . A 79 THR CA . 34608 1 854 . 1 . 1 92 92 THR CB C 13 69.827 0.081 . 1 . . 645 . A 79 THR CB . 34608 1 855 . 1 . 1 92 92 THR CG2 C 13 21.649 0.027 . 1 . . 1291 . A 79 THR CG2 . 34608 1 856 . 1 . 1 92 92 THR N N 15 114.261 . . 1 . . 538 . A 79 THR N . 34608 1 857 . 1 . 1 93 93 ASP H H 1 8.375 0.008 . 1 . . 546 . A 80 ASP H . 34608 1 858 . 1 . 1 93 93 ASP HA H 1 4.640 0.003 . 1 . . 1292 . A 80 ASP HA . 34608 1 859 . 1 . 1 93 93 ASP HB2 H 1 2.609 0.0 . 2 . . 1293 . A 80 ASP HB2 . 34608 1 860 . 1 . 1 93 93 ASP HB3 H 1 2.653 0.014 . 2 . . 1627 . A 80 ASP HB3 . 34608 1 861 . 1 . 1 93 93 ASP CA C 13 54.695 0.028 . 1 . . 617 . A 80 ASP CA . 34608 1 862 . 1 . 1 93 93 ASP CB C 13 41.298 0.006 . 1 . . 646 . A 80 ASP CB . 34608 1 863 . 1 . 1 93 93 ASP N N 15 122.826 . . 1 . . 545 . A 80 ASP N . 34608 1 864 . 1 . 1 94 94 SER H H 1 8.398 0.014 . 1 . . 1759 . A 81 SER H . 34608 1 865 . 1 . 1 94 94 SER HA H 1 4.387 0.003 . 1 . . 1753 . A 81 SER HA . 34608 1 866 . 1 . 1 94 94 SER HB2 H 1 3.907 0.033 . 2 . . 1756 . A 81 SER HB2 . 34608 1 867 . 1 . 1 94 94 SER HB3 H 1 4.028 0.005 . 2 . . 1757 . A 81 SER HB3 . 34608 1 868 . 1 . 1 94 94 SER CA C 13 58.981 0.05 . 1 . . 1754 . A 81 SER CA . 34608 1 869 . 1 . 1 94 94 SER CB C 13 63.969 0.051 . 1 . . 1755 . A 81 SER CB . 34608 1 870 . 1 . 1 94 94 SER N N 15 116.880 . . 1 . . 1758 . A 81 SER N . 34608 1 871 . 1 . 1 95 95 GLU H H 1 8.525 0.01 . 1 . . 1728 . A 82 GLU H . 34608 1 872 . 1 . 1 95 95 GLU HA H 1 4.054 0.014 . 1 . . 2002 . A 82 GLU HA . 34608 1 873 . 1 . 1 95 95 GLU HB2 H 1 2.043 0.003 . 1 . . 1920 . A 82 GLU HB2 . 34608 1 874 . 1 . 1 95 95 GLU HB3 H 1 2.043 0.003 . 1 . . 1922 . A 82 GLU HB3 . 34608 1 875 . 1 . 1 95 95 GLU HG2 H 1 2.272 0.019 . 2 . . 1999 . A 82 GLU HG2 . 34608 1 876 . 1 . 1 95 95 GLU HG3 H 1 2.303 0.02 . 2 . . 2001 . A 82 GLU HG3 . 34608 1 877 . 1 . 1 95 95 GLU CA C 13 59.240 0.001 . 1 . . 2003 . A 82 GLU CA . 34608 1 878 . 1 . 1 95 95 GLU CB C 13 29.441 0.034 . 1 . . 1921 . A 82 GLU CB . 34608 1 879 . 1 . 1 95 95 GLU CG C 13 36.304 0.001 . 1 . . 2000 . A 82 GLU CG . 34608 1 880 . 1 . 1 95 95 GLU N N 15 122.394 . . 1 . . 1729 . A 82 GLU N . 34608 1 881 . 1 . 1 96 96 GLU HA H 1 3.983 . . 1 . . 2079 . A 83 GLU HA . 34608 1 882 . 1 . 1 98 98 ILE H H 1 8.004 0.018 . 1 . . 1890 . A 85 ILE H . 34608 1 883 . 1 . 1 98 98 ILE HA H 1 3.895 0.005 . 1 . . 1239 . A 85 ILE HA . 34608 1 884 . 1 . 1 98 98 ILE HB H 1 2.095 0.004 . 1 . . 1243 . A 85 ILE HB . 34608 1 885 . 1 . 1 98 98 ILE HG12 H 1 1.726 0.001 . 2 . . 1245 . A 85 ILE HG12 . 34608 1 886 . 1 . 1 98 98 ILE HG13 H 1 0.954 0.011 . 2 . . 1628 . A 85 ILE HG13 . 34608 1 887 . 1 . 1 98 98 ILE HG21 H 1 1.039 0.001 . 1 . . 1240 . A 85 ILE HG21 . 34608 1 888 . 1 . 1 98 98 ILE HG22 H 1 1.039 0.001 . 1 . . 1240 . A 85 ILE HG22 . 34608 1 889 . 1 . 1 98 98 ILE HG23 H 1 1.039 0.001 . 1 . . 1240 . A 85 ILE HG23 . 34608 1 890 . 1 . 1 98 98 ILE HD11 H 1 0.688 0.003 . 1 . . 1241 . A 85 ILE HD11 . 34608 1 891 . 1 . 1 98 98 ILE HD12 H 1 0.688 0.003 . 1 . . 1241 . A 85 ILE HD12 . 34608 1 892 . 1 . 1 98 98 ILE HD13 H 1 0.688 0.003 . 1 . . 1241 . A 85 ILE HD13 . 34608 1 893 . 1 . 1 98 98 ILE CA C 13 64.930 0.016 . 1 . . 1238 . A 85 ILE CA . 34608 1 894 . 1 . 1 98 98 ILE CB C 13 37.373 0.019 . 1 . . 1242 . A 85 ILE CB . 34608 1 895 . 1 . 1 98 98 ILE CG1 C 13 29.235 0.075 . 1 . . 1244 . A 85 ILE CG1 . 34608 1 896 . 1 . 1 98 98 ILE CG2 C 13 18.990 0.036 . 1 . . 1246 . A 85 ILE CG2 . 34608 1 897 . 1 . 1 98 98 ILE CD1 C 13 13.122 0.043 . 1 . . 1247 . A 85 ILE CD1 . 34608 1 898 . 1 . 1 98 98 ILE N N 15 121.886 . . 1 . . 1891 . A 85 ILE N . 34608 1 899 . 1 . 1 99 99 ARG H H 1 8.412 0.009 . 1 . . 693 . A 86 ARG H . 34608 1 900 . 1 . 1 99 99 ARG HA H 1 4.097 0.006 . 1 . . 1249 . A 86 ARG HA . 34608 1 901 . 1 . 1 99 99 ARG HB2 H 1 1.997 0.002 . 2 . . 1252 . A 86 ARG HB2 . 34608 1 902 . 1 . 1 99 99 ARG HB3 H 1 1.800 0.002 . 2 . . 1631 . A 86 ARG HB3 . 34608 1 903 . 1 . 1 99 99 ARG HG2 H 1 1.507 0.001 . 2 . . 1250 . A 86 ARG HG2 . 34608 1 904 . 1 . 1 99 99 ARG HG3 H 1 1.665 0.018 . 2 . . 1632 . A 86 ARG HG3 . 34608 1 905 . 1 . 1 99 99 ARG HD2 H 1 2.920 0.004 . 1 . . 1253 . A 86 ARG HD2 . 34608 1 906 . 1 . 1 99 99 ARG HE H 1 7.122 0.013 . 1 . . 2006 . A 86 ARG HE . 34608 1 907 . 1 . 1 99 99 ARG CA C 13 60.058 0.063 . 1 . . 1248 . A 86 ARG CA . 34608 1 908 . 1 . 1 99 99 ARG CB C 13 29.786 0.042 . 1 . . 1251 . A 86 ARG CB . 34608 1 909 . 1 . 1 99 99 ARG CG C 13 27.490 0.031 . 1 . . 1255 . A 86 ARG CG . 34608 1 910 . 1 . 1 99 99 ARG CD C 13 43.134 0.027 . 1 . . 1254 . A 86 ARG CD . 34608 1 911 . 1 . 1 99 99 ARG N N 15 121.406 . . 1 . . 694 . A 86 ARG N . 34608 1 912 . 1 . 1 99 99 ARG NE N 15 83.855 . . 1 . . 2007 . A 86 ARG NE . 34608 1 913 . 1 . 1 100 100 GLU HA H 1 4.078 . . 1 . . 2019 . A 87 GLU HA . 34608 1 914 . 1 . 1 101 101 ALA H H 1 7.947 0.009 . 1 . . 1564 . A 88 ALA H . 34608 1 915 . 1 . 1 101 101 ALA HA H 1 4.122 0.003 . 1 . . 1260 . A 88 ALA HA . 34608 1 916 . 1 . 1 101 101 ALA HB1 H 1 1.708 0.008 . 1 . . 1261 . A 88 ALA HB1 . 34608 1 917 . 1 . 1 101 101 ALA HB2 H 1 1.708 0.008 . 1 . . 1261 . A 88 ALA HB2 . 34608 1 918 . 1 . 1 101 101 ALA HB3 H 1 1.708 0.008 . 1 . . 1261 . A 88 ALA HB3 . 34608 1 919 . 1 . 1 101 101 ALA CA C 13 55.111 0.029 . 1 . . 1259 . A 88 ALA CA . 34608 1 920 . 1 . 1 101 101 ALA CB C 13 17.635 0.088 . 1 . . 1262 . A 88 ALA CB . 34608 1 921 . 1 . 1 101 101 ALA N N 15 122.318 . . 1 . . 1565 . A 88 ALA N . 34608 1 922 . 1 . 1 102 102 PHE H H 1 8.521 0.009 . 1 . . 676 . A 89 PHE H . 34608 1 923 . 1 . 1 102 102 PHE HA H 1 3.045 0.003 . 1 . . 1633 . A 89 PHE HA . 34608 1 924 . 1 . 1 102 102 PHE HB2 H 1 3.149 0.002 . 2 . . 1531 . A 89 PHE HB2 . 34608 1 925 . 1 . 1 102 102 PHE HB3 H 1 2.916 0.007 . 2 . . 1539 . A 89 PHE HB3 . 34608 1 926 . 1 . 1 102 102 PHE HD1 H 1 6.529 0.008 . 1 . . 1533 . A 89 PHE HD1 . 34608 1 927 . 1 . 1 102 102 PHE HD2 H 1 6.529 0.008 . 1 . . 1533 . A 89 PHE HD2 . 34608 1 928 . 1 . 1 102 102 PHE HE1 H 1 6.924 0.011 . 1 . . 1793 . A 89 PHE HE1 . 34608 1 929 . 1 . 1 102 102 PHE HE2 H 1 6.924 0.011 . 1 . . 1793 . A 89 PHE HE2 . 34608 1 930 . 1 . 1 102 102 PHE HZ H 1 6.955 0.004 . 1 . . 2004 . A 89 PHE HZ . 34608 1 931 . 1 . 1 102 102 PHE CA C 13 62.169 0.026 . 1 . . 835 . A 89 PHE CA . 34608 1 932 . 1 . 1 102 102 PHE CB C 13 39.101 0.075 . 1 . . 1634 . A 89 PHE CB . 34608 1 933 . 1 . 1 102 102 PHE CD1 C 13 131.613 0.061 . 1 . . 1532 . A 89 PHE CD1 . 34608 1 934 . 1 . 1 102 102 PHE CD2 C 13 131.613 0.061 . 1 . . 1532 . A 89 PHE CD2 . 34608 1 935 . 1 . 1 102 102 PHE CE1 C 13 131.123 0.031 . 1 . . 1792 . A 89 PHE CE1 . 34608 1 936 . 1 . 1 102 102 PHE CE2 C 13 131.123 0.031 . 1 . . 1792 . A 89 PHE CE2 . 34608 1 937 . 1 . 1 102 102 PHE CZ C 13 129.171 0.053 . 1 . . 2005 . A 89 PHE CZ . 34608 1 938 . 1 . 1 102 102 PHE N N 15 118.606 . . 1 . . 677 . A 89 PHE N . 34608 1 939 . 1 . 1 103 103 ARG H H 1 7.615 0.012 . 1 . . 756 . A 90 ARG H . 34608 1 940 . 1 . 1 103 103 ARG HA H 1 3.806 0.005 . 1 . . 1050 . A 90 ARG HA . 34608 1 941 . 1 . 1 103 103 ARG HB2 H 1 1.886 0.012 . 1 . . 1636 . A 90 ARG HB2 . 34608 1 942 . 1 . 1 103 103 ARG HG2 H 1 1.843 0.014 . 2 . . 1810 . A 90 ARG HG2 . 34608 1 943 . 1 . 1 103 103 ARG HG3 H 1 1.617 0.008 . 2 . . 2018 . A 90 ARG HG3 . 34608 1 944 . 1 . 1 103 103 ARG HD2 H 1 3.149 0.003 . 1 . . 1052 . A 90 ARG HD2 . 34608 1 945 . 1 . 1 103 103 ARG CA C 13 58.787 0.017 . 1 . . 588 . A 90 ARG CA . 34608 1 946 . 1 . 1 103 103 ARG CB C 13 30.254 0.052 . 1 . . 1635 . A 90 ARG CB . 34608 1 947 . 1 . 1 103 103 ARG CG C 13 27.819 0.065 . 1 . . 1809 . A 90 ARG CG . 34608 1 948 . 1 . 1 103 103 ARG CD C 13 43.431 0.041 . 1 . . 1051 . A 90 ARG CD . 34608 1 949 . 1 . 1 103 103 ARG N N 15 115.346 . . 1 . . 755 . A 90 ARG N . 34608 1 950 . 1 . 1 104 104 VAL H H 1 7.479 0.009 . 1 . . 548 . A 91 VAL H . 34608 1 951 . 1 . 1 104 104 VAL HA H 1 3.416 0.003 . 1 . . 1053 . A 91 VAL HA . 34608 1 952 . 1 . 1 104 104 VAL HB H 1 2.086 0.001 . 1 . . 1055 . A 91 VAL HB . 34608 1 953 . 1 . 1 104 104 VAL HG11 H 1 0.577 0.011 . 2 . . 1054 . A 91 VAL HG11 . 34608 1 954 . 1 . 1 104 104 VAL HG12 H 1 0.577 0.011 . 2 . . 1054 . A 91 VAL HG12 . 34608 1 955 . 1 . 1 104 104 VAL HG13 H 1 0.577 0.011 . 2 . . 1054 . A 91 VAL HG13 . 34608 1 956 . 1 . 1 104 104 VAL HG21 H 1 0.933 0.001 . 2 . . 1057 . A 91 VAL HG21 . 34608 1 957 . 1 . 1 104 104 VAL HG22 H 1 0.933 0.001 . 2 . . 1057 . A 91 VAL HG22 . 34608 1 958 . 1 . 1 104 104 VAL HG23 H 1 0.933 0.001 . 2 . . 1057 . A 91 VAL HG23 . 34608 1 959 . 1 . 1 104 104 VAL CA C 13 65.652 0.049 . 1 . . 618 . A 91 VAL CA . 34608 1 960 . 1 . 1 104 104 VAL CB C 13 31.519 0.011 . 1 . . 647 . A 91 VAL CB . 34608 1 961 . 1 . 1 104 104 VAL CG1 C 13 20.933 0.023 . 2 . . 1056 . A 91 VAL CG1 . 34608 1 962 . 1 . 1 104 104 VAL CG2 C 13 22.751 0.057 . 2 . . 1058 . A 91 VAL CG2 . 34608 1 963 . 1 . 1 104 104 VAL N N 15 118.071 . . 1 . . 547 . A 91 VAL N . 34608 1 964 . 1 . 1 105 105 PHE HA H 1 4.147 0.005 . 1 . . 1805 . A 92 PHE HA . 34608 1 965 . 1 . 1 105 105 PHE HB2 H 1 2.597 0.017 . 2 . . 1806 . A 92 PHE HB2 . 34608 1 966 . 1 . 1 105 105 PHE HB3 H 1 2.583 0.005 . 2 . . 1808 . A 92 PHE HB3 . 34608 1 967 . 1 . 1 105 105 PHE HD1 H 1 7.239 0.001 . 1 . . 1372 . A 92 PHE HD1 . 34608 1 968 . 1 . 1 105 105 PHE HD2 H 1 7.239 0.001 . 1 . . 1372 . A 92 PHE HD2 . 34608 1 969 . 1 . 1 105 105 PHE HE1 H 1 7.188 0.009 . 1 . . 2128 . A 92 PHE HE1 . 34608 1 970 . 1 . 1 105 105 PHE HE2 H 1 7.188 0.009 . 1 . . 2128 . A 92 PHE HE2 . 34608 1 971 . 1 . 1 105 105 PHE HZ H 1 6.901 0.016 . 1 . . 1375 . A 92 PHE HZ . 34608 1 972 . 1 . 1 105 105 PHE CA C 13 59.638 0.2 . 1 . . 1804 . A 92 PHE CA . 34608 1 973 . 1 . 1 105 105 PHE CB C 13 40.561 0.065 . 1 . . 1807 . A 92 PHE CB . 34608 1 974 . 1 . 1 105 105 PHE CD1 C 13 131.581 0.083 . 1 . . 1373 . A 92 PHE CD1 . 34608 1 975 . 1 . 1 105 105 PHE CD2 C 13 131.581 0.083 . 1 . . 1373 . A 92 PHE CD2 . 34608 1 976 . 1 . 1 105 105 PHE CZ C 13 129.368 0.023 . 1 . . 1374 . A 92 PHE CZ . 34608 1 977 . 1 . 1 106 106 ASP H H 1 7.805 0.01 . 1 . . 535 . A 93 ASP H . 34608 1 978 . 1 . 1 106 106 ASP HA H 1 4.470 0.003 . 1 . . 1382 . A 93 ASP HA . 34608 1 979 . 1 . 1 106 106 ASP HB2 H 1 2.214 0.003 . 2 . . 1534 . A 93 ASP HB2 . 34608 1 980 . 1 . 1 106 106 ASP HB3 H 1 1.275 0.007 . 2 . . 1560 . A 93 ASP HB3 . 34608 1 981 . 1 . 1 106 106 ASP CA C 13 52.247 0.056 . 1 . . 589 . A 93 ASP CA . 34608 1 982 . 1 . 1 106 106 ASP CB C 13 38.182 0.07 . 1 . . 1637 . A 93 ASP CB . 34608 1 983 . 1 . 1 106 106 ASP N N 15 116.552 . . 1 . . 534 . A 93 ASP N . 34608 1 984 . 1 . 1 107 107 LYS H H 1 7.665 0.012 . 1 . . 10 . A 94 LYS H . 34608 1 985 . 1 . 1 107 107 LYS HA H 1 3.833 0.008 . 1 . . 1059 . A 94 LYS HA . 34608 1 986 . 1 . 1 107 107 LYS HB2 H 1 1.759 0.011 . 2 . . 1060 . A 94 LYS HB2 . 34608 1 987 . 1 . 1 107 107 LYS HB3 H 1 1.781 0.015 . 2 . . 1785 . A 94 LYS HB3 . 34608 1 988 . 1 . 1 107 107 LYS HG2 H 1 1.381 0.003 . 2 . . 1062 . A 94 LYS HG2 . 34608 1 989 . 1 . 1 107 107 LYS HG3 H 1 1.450 0.011 . 2 . . 1063 . A 94 LYS HG3 . 34608 1 990 . 1 . 1 107 107 LYS HD2 H 1 1.568 0.002 . 1 . . 1067 . A 94 LYS HD2 . 34608 1 991 . 1 . 1 107 107 LYS HE2 H 1 2.801 0.009 . 2 . . 1068 . A 94 LYS HE2 . 34608 1 992 . 1 . 1 107 107 LYS HE3 H 1 2.755 0.002 . 2 . . 1069 . A 94 LYS HE3 . 34608 1 993 . 1 . 1 107 107 LYS CA C 13 58.888 0.04 . 1 . . 590 . A 94 LYS CA . 34608 1 994 . 1 . 1 107 107 LYS CB C 13 32.602 0.05 . 1 . . 1061 . A 94 LYS CB . 34608 1 995 . 1 . 1 107 107 LYS CG C 13 24.266 0.045 . 1 . . 1064 . A 94 LYS CG . 34608 1 996 . 1 . 1 107 107 LYS CD C 13 28.522 0.087 . 1 . . 1065 . A 94 LYS CD . 34608 1 997 . 1 . 1 107 107 LYS CE C 13 41.634 0.048 . 1 . . 1066 . A 94 LYS CE . 34608 1 998 . 1 . 1 107 107 LYS N N 15 125.680 . . 1 . . 11 . A 94 LYS N . 34608 1 999 . 1 . 1 108 108 ASP H H 1 8.125 0.016 . 1 . . 82 . A 95 ASP H . 34608 1 1000 . 1 . 1 108 108 ASP HA H 1 4.494 0.001 . 1 . . 1071 . A 95 ASP HA . 34608 1 1001 . 1 . 1 108 108 ASP HB2 H 1 2.575 0.002 . 2 . . 1072 . A 95 ASP HB2 . 34608 1 1002 . 1 . 1 108 108 ASP HB3 H 1 2.993 0.015 . 2 . . 1524 . A 95 ASP HB3 . 34608 1 1003 . 1 . 1 108 108 ASP CA C 13 52.992 0.052 . 1 . . 1070 . A 95 ASP CA . 34608 1 1004 . 1 . 1 108 108 ASP CB C 13 39.634 0.048 . 1 . . 648 . A 95 ASP CB . 34608 1 1005 . 1 . 1 108 108 ASP N N 15 113.723 . . 1 . . 83 . A 95 ASP N . 34608 1 1006 . 1 . 1 109 109 GLY H H 1 7.729 0.01 . 1 . . 117 . A 96 GLY H . 34608 1 1007 . 1 . 1 109 109 GLY HA2 H 1 3.792 0.008 . 2 . . 1073 . A 96 GLY HA2 . 34608 1 1008 . 1 . 1 109 109 GLY HA3 H 1 3.731 0.002 . 2 . . 1764 . A 96 GLY HA3 . 34608 1 1009 . 1 . 1 109 109 GLY CA C 13 47.209 0.004 . 1 . . 1763 . A 96 GLY CA . 34608 1 1010 . 1 . 1 109 109 GLY N N 15 109.034 . . 1 . . 118 . A 96 GLY N . 34608 1 1011 . 1 . 1 110 110 ASN H H 1 8.268 0.01 . 1 . . 141 . A 97 ASN H . 34608 1 1012 . 1 . 1 110 110 ASN HA H 1 4.578 0.001 . 1 . . 1075 . A 97 ASN HA . 34608 1 1013 . 1 . 1 110 110 ASN HB2 H 1 2.587 0.009 . 2 . . 1076 . A 97 ASN HB2 . 34608 1 1014 . 1 . 1 110 110 ASN HB3 H 1 3.339 0.004 . 2 . . 1568 . A 97 ASN HB3 . 34608 1 1015 . 1 . 1 110 110 ASN HD21 H 1 7.285 0.002 . 1 . . 1771 . A 97 ASN HD21 . 34608 1 1016 . 1 . 1 110 110 ASN HD22 H 1 8.001 . . 1 . . 1772 . A 97 ASN HD22 . 34608 1 1017 . 1 . 1 110 110 ASN CA C 13 52.638 0.038 . 1 . . 1074 . A 97 ASN CA . 34608 1 1018 . 1 . 1 110 110 ASN CB C 13 38.129 0.024 . 1 . . 649 . A 97 ASN CB . 34608 1 1019 . 1 . 1 110 110 ASN N N 15 119.297 . . 1 . . 142 . A 97 ASN N . 34608 1 1020 . 1 . 1 111 111 GLY H H 1 10.595 0.014 . 1 . . 168 . A 98 GLY H . 34608 1 1021 . 1 . 1 111 111 GLY HA2 H 1 3.984 0.002 . 2 . . 1077 . A 98 GLY HA2 . 34608 1 1022 . 1 . 1 111 111 GLY HA3 H 1 3.368 0.004 . 2 . . 1078 . A 98 GLY HA3 . 34608 1 1023 . 1 . 1 111 111 GLY CA C 13 45.113 0.045 . 1 . . 591 . A 98 GLY CA . 34608 1 1024 . 1 . 1 111 111 GLY N N 15 112.716 . . 1 . . 169 . A 98 GLY N . 34608 1 1025 . 1 . 1 112 112 TYR H H 1 7.560 0.01 . 1 . . 73 . A 99 TYR H . 34608 1 1026 . 1 . 1 112 112 TYR HA H 1 4.970 0.005 . 1 . . 1079 . A 99 TYR HA . 34608 1 1027 . 1 . 1 112 112 TYR HB2 H 1 2.438 0.007 . 1 . . 1080 . A 99 TYR HB2 . 34608 1 1028 . 1 . 1 112 112 TYR HD1 H 1 6.683 0.002 . 1 . . 1357 . A 99 TYR HD1 . 34608 1 1029 . 1 . 1 112 112 TYR HD2 H 1 6.683 0.002 . 1 . . 1357 . A 99 TYR HD2 . 34608 1 1030 . 1 . 1 112 112 TYR HE1 H 1 6.845 0.002 . 1 . . 1356 . A 99 TYR HE1 . 34608 1 1031 . 1 . 1 112 112 TYR HE2 H 1 6.845 0.002 . 1 . . 1356 . A 99 TYR HE2 . 34608 1 1032 . 1 . 1 112 112 TYR CA C 13 56.012 0.043 . 1 . . 592 . A 99 TYR CA . 34608 1 1033 . 1 . 1 112 112 TYR CB C 13 43.079 0.012 . 1 . . 650 . A 99 TYR CB . 34608 1 1034 . 1 . 1 112 112 TYR CD1 C 13 133.305 0.036 . 1 . . 1355 . A 99 TYR CD1 . 34608 1 1035 . 1 . 1 112 112 TYR CD2 C 13 133.305 0.036 . 1 . . 1355 . A 99 TYR CD2 . 34608 1 1036 . 1 . 1 112 112 TYR CE1 C 13 118.094 0.027 . 1 . . 1638 . A 99 TYR CE1 . 34608 1 1037 . 1 . 1 112 112 TYR CE2 C 13 118.094 0.027 . 1 . . 1638 . A 99 TYR CE2 . 34608 1 1038 . 1 . 1 112 112 TYR N N 15 115.624 . . 1 . . 74 . A 99 TYR N . 34608 1 1039 . 1 . 1 113 113 ILE H H 1 10.061 0.008 . 1 . . 7 . A 100 ILE H . 34608 1 1040 . 1 . 1 113 113 ILE HA H 1 4.735 . . 1 . . 2020 . A 100 ILE HA . 34608 1 1041 . 1 . 1 113 113 ILE HB H 1 1.771 0.035 . 1 . . 1215 . A 100 ILE HB . 34608 1 1042 . 1 . 1 113 113 ILE HG12 H 1 0.215 0.009 . 1 . . 1639 . A 100 ILE HG12 . 34608 1 1043 . 1 . 1 113 113 ILE HG21 H 1 0.870 0.006 . 1 . . 1216 . A 100 ILE HG21 . 34608 1 1044 . 1 . 1 113 113 ILE HG22 H 1 0.870 0.006 . 1 . . 1216 . A 100 ILE HG22 . 34608 1 1045 . 1 . 1 113 113 ILE HG23 H 1 0.870 0.006 . 1 . . 1216 . A 100 ILE HG23 . 34608 1 1046 . 1 . 1 113 113 ILE HD11 H 1 0.218 0.03 . 1 . . 1722 . A 100 ILE HD11 . 34608 1 1047 . 1 . 1 113 113 ILE HD12 H 1 0.218 0.03 . 1 . . 1722 . A 100 ILE HD12 . 34608 1 1048 . 1 . 1 113 113 ILE HD13 H 1 0.218 0.03 . 1 . . 1722 . A 100 ILE HD13 . 34608 1 1049 . 1 . 1 113 113 ILE CB C 13 38.729 0.024 . 1 . . 651 . A 100 ILE CB . 34608 1 1050 . 1 . 1 113 113 ILE CG1 C 13 26.926 0.037 . 1 . . 1641 . A 100 ILE CG1 . 34608 1 1051 . 1 . 1 113 113 ILE CG2 C 13 17.686 0.055 . 1 . . 1217 . A 100 ILE CG2 . 34608 1 1052 . 1 . 1 113 113 ILE CD1 C 13 15.339 0.028 . 1 . . 1723 . A 100 ILE CD1 . 34608 1 1053 . 1 . 1 113 113 ILE N N 15 126.983 . . 1 . . 8 . A 100 ILE N . 34608 1 1054 . 1 . 1 114 114 SER H H 1 8.895 0.013 . 1 . . 178 . A 101 SER H . 34608 1 1055 . 1 . 1 114 114 SER HA H 1 4.785 0.01 . 1 . . 1362 . A 101 SER HA . 34608 1 1056 . 1 . 1 114 114 SER HB2 H 1 3.914 0.006 . 2 . . 1363 . A 101 SER HB2 . 34608 1 1057 . 1 . 1 114 114 SER HB3 H 1 4.367 0.006 . 2 . . 1364 . A 101 SER HB3 . 34608 1 1058 . 1 . 1 114 114 SER HG H 1 5.797 0.006 . 1 . . 1909 . A 101 SER HG . 34608 1 1059 . 1 . 1 114 114 SER CA C 13 55.905 0.004 . 1 . . 594 . A 101 SER CA . 34608 1 1060 . 1 . 1 114 114 SER CB C 13 66.634 0.046 . 1 . . 652 . A 101 SER CB . 34608 1 1061 . 1 . 1 114 114 SER N N 15 123.558 . . 1 . . 179 . A 101 SER N . 34608 1 1062 . 1 . 1 115 115 ALA H H 1 9.167 0.008 . 1 . . 18 . A 102 ALA H . 34608 1 1063 . 1 . 1 115 115 ALA HA H 1 3.848 0.001 . 1 . . 1081 . A 102 ALA HA . 34608 1 1064 . 1 . 1 115 115 ALA HB1 H 1 1.407 0.006 . 1 . . 1082 . A 102 ALA HB1 . 34608 1 1065 . 1 . 1 115 115 ALA HB2 H 1 1.407 0.006 . 1 . . 1082 . A 102 ALA HB2 . 34608 1 1066 . 1 . 1 115 115 ALA HB3 H 1 1.407 0.006 . 1 . . 1082 . A 102 ALA HB3 . 34608 1 1067 . 1 . 1 115 115 ALA CA C 13 55.897 0.023 . 1 . . 595 . A 102 ALA CA . 34608 1 1068 . 1 . 1 115 115 ALA CB C 13 17.961 0.021 . 1 . . 653 . A 102 ALA CB . 34608 1 1069 . 1 . 1 115 115 ALA N N 15 122.715 . . 1 . . 19 . A 102 ALA N . 34608 1 1070 . 1 . 1 116 116 ALA H H 1 8.206 0.008 . 1 . . 58 . A 103 ALA H . 34608 1 1071 . 1 . 1 116 116 ALA HA H 1 3.972 0.004 . 1 . . 1085 . A 103 ALA HA . 34608 1 1072 . 1 . 1 116 116 ALA HB1 H 1 1.352 0.003 . 1 . . 1084 . A 103 ALA HB1 . 34608 1 1073 . 1 . 1 116 116 ALA HB2 H 1 1.352 0.003 . 1 . . 1084 . A 103 ALA HB2 . 34608 1 1074 . 1 . 1 116 116 ALA HB3 H 1 1.352 0.003 . 1 . . 1084 . A 103 ALA HB3 . 34608 1 1075 . 1 . 1 116 116 ALA CA C 13 55.138 0.015 . 1 . . 596 . A 103 ALA CA . 34608 1 1076 . 1 . 1 116 116 ALA CB C 13 18.315 0.057 . 1 . . 1083 . A 103 ALA CB . 34608 1 1077 . 1 . 1 116 116 ALA N N 15 118.183 . . 1 . . 59 . A 103 ALA N . 34608 1 1078 . 1 . 1 117 117 GLU H H 1 7.834 0.008 . 1 . . 43 . A 104 GLU H . 34608 1 1079 . 1 . 1 117 117 GLU HA H 1 3.981 0.004 . 1 . . 2021 . A 104 GLU HA . 34608 1 1080 . 1 . 1 117 117 GLU HB2 H 1 2.473 0.0 . 2 . . 2023 . A 104 GLU HB2 . 34608 1 1081 . 1 . 1 117 117 GLU HB3 H 1 2.538 0.002 . 2 . . 2025 . A 104 GLU HB3 . 34608 1 1082 . 1 . 1 117 117 GLU HG2 H 1 2.498 0.009 . 2 . . 2026 . A 104 GLU HG2 . 34608 1 1083 . 1 . 1 117 117 GLU HG3 H 1 2.478 0.007 . 2 . . 2028 . A 104 GLU HG3 . 34608 1 1084 . 1 . 1 117 117 GLU CA C 13 59.310 0.029 . 1 . . 2022 . A 104 GLU CA . 34608 1 1085 . 1 . 1 117 117 GLU CB C 13 29.187 0.033 . 1 . . 2024 . A 104 GLU CB . 34608 1 1086 . 1 . 1 117 117 GLU CG C 13 37.930 0.041 . 1 . . 2027 . A 104 GLU CG . 34608 1 1087 . 1 . 1 117 117 GLU N N 15 119.630 . . 1 . . 549 . A 104 GLU N . 34608 1 1088 . 1 . 1 118 118 LEU H H 1 8.545 0.008 . 1 . . 163 . A 105 LEU H . 34608 1 1089 . 1 . 1 118 118 LEU HA H 1 4.058 0.01 . 1 . . 1341 . A 105 LEU HA . 34608 1 1090 . 1 . 1 118 118 LEU HB2 H 1 1.479 0.02 . 2 . . 965 . A 105 LEU HB2 . 34608 1 1091 . 1 . 1 118 118 LEU HB3 H 1 1.839 0.023 . 2 . . 1912 . A 105 LEU HB3 . 34608 1 1092 . 1 . 1 118 118 LEU HG H 1 1.231 0.001 . 1 . . 1898 . A 105 LEU HG . 34608 1 1093 . 1 . 1 118 118 LEU HD11 H 1 0.828 0.024 . 2 . . 1347 . A 105 LEU HD11 . 34608 1 1094 . 1 . 1 118 118 LEU HD12 H 1 0.828 0.024 . 2 . . 1347 . A 105 LEU HD12 . 34608 1 1095 . 1 . 1 118 118 LEU HD13 H 1 0.828 0.024 . 2 . . 1347 . A 105 LEU HD13 . 34608 1 1096 . 1 . 1 118 118 LEU HD21 H 1 0.833 0.035 . 2 . . 1899 . A 105 LEU HD21 . 34608 1 1097 . 1 . 1 118 118 LEU HD22 H 1 0.833 0.035 . 2 . . 1899 . A 105 LEU HD22 . 34608 1 1098 . 1 . 1 118 118 LEU HD23 H 1 0.833 0.035 . 2 . . 1899 . A 105 LEU HD23 . 34608 1 1099 . 1 . 1 118 118 LEU CA C 13 59.095 0.082 . 1 . . 597 . A 105 LEU CA . 34608 1 1100 . 1 . 1 118 118 LEU CB C 13 42.166 0.136 . 1 . . 966 . A 105 LEU CB . 34608 1 1101 . 1 . 1 118 118 LEU CG C 13 25.383 0.013 . 1 . . 1897 . A 105 LEU CG . 34608 1 1102 . 1 . 1 118 118 LEU CD1 C 13 24.475 0.05 . 2 . . 1346 . A 105 LEU CD1 . 34608 1 1103 . 1 . 1 118 118 LEU CD2 C 13 23.762 0.059 . 2 . . 1900 . A 105 LEU CD2 . 34608 1 1104 . 1 . 1 118 118 LEU N N 15 120.761 . . 1 . . 164 . A 105 LEU N . 34608 1 1105 . 1 . 1 119 119 ARG H H 1 8.545 0.009 . 1 . . 678 . A 106 ARG H . 34608 1 1106 . 1 . 1 119 119 ARG HA H 1 3.732 0.002 . 1 . . 1088 . A 106 ARG HA . 34608 1 1107 . 1 . 1 119 119 ARG HB3 H 1 1.888 0.009 . 1 . . 1812 . A 106 ARG HB3 . 34608 1 1108 . 1 . 1 119 119 ARG HG2 H 1 1.564 0.006 . 1 . . 1093 . A 106 ARG HG2 . 34608 1 1109 . 1 . 1 119 119 ARG HD2 H 1 3.087 0.003 . 2 . . 1087 . A 106 ARG HD2 . 34608 1 1110 . 1 . 1 119 119 ARG HD3 H 1 3.187 0.002 . 2 . . 1811 . A 106 ARG HD3 . 34608 1 1111 . 1 . 1 119 119 ARG HE H 1 7.264 0.011 . 1 . . 2010 . A 106 ARG HE . 34608 1 1112 . 1 . 1 119 119 ARG CA C 13 59.863 0.033 . 1 . . 843 . A 106 ARG CA . 34608 1 1113 . 1 . 1 119 119 ARG CB C 13 30.455 0.048 . 1 . . 1090 . A 106 ARG CB . 34608 1 1114 . 1 . 1 119 119 ARG CG C 13 27.577 0.121 . 1 . . 1092 . A 106 ARG CG . 34608 1 1115 . 1 . 1 119 119 ARG CD C 13 43.608 0.066 . 1 . . 1086 . A 106 ARG CD . 34608 1 1116 . 1 . 1 119 119 ARG N N 15 117.341 . . 1 . . 679 . A 106 ARG N . 34608 1 1117 . 1 . 1 119 119 ARG NE N 15 84.277 . . 1 . . 2011 . A 106 ARG NE . 34608 1 1118 . 1 . 1 120 120 HIS H H 1 7.892 0.004 . 1 . . 1926 . A 107 HIS H . 34608 1 1119 . 1 . 1 120 120 HIS HA H 1 4.252 0.003 . 1 . . 1562 . A 107 HIS HA . 34608 1 1120 . 1 . 1 120 120 HIS HB2 H 1 3.216 0.004 . 2 . . 1563 . A 107 HIS HB2 . 34608 1 1121 . 1 . 1 120 120 HIS HB3 H 1 3.256 0.01 . 2 . . 1642 . A 107 HIS HB3 . 34608 1 1122 . 1 . 1 120 120 HIS HD2 H 1 6.904 0.003 . 1 . . 1934 . A 107 HIS HD2 . 34608 1 1123 . 1 . 1 120 120 HIS HE1 H 1 7.972 0.003 . 1 . . 2030 . A 107 HIS HE1 . 34608 1 1124 . 1 . 1 120 120 HIS CA C 13 59.560 0.06 . 1 . . 844 . A 107 HIS CA . 34608 1 1125 . 1 . 1 120 120 HIS CB C 13 30.398 0.017 . 1 . . 845 . A 107 HIS CB . 34608 1 1126 . 1 . 1 120 120 HIS CD2 C 13 120.208 0.087 . 1 . . 1933 . A 107 HIS CD2 . 34608 1 1127 . 1 . 1 120 120 HIS CE1 C 13 137.553 0.016 . 1 . . 2031 . A 107 HIS CE1 . 34608 1 1128 . 1 . 1 121 121 VAL H H 1 7.918 0.004 . 1 . . 1927 . A 108 VAL H . 34608 1 1129 . 1 . 1 121 121 VAL HA H 1 3.430 0.006 . 1 . . 1282 . A 108 VAL HA . 34608 1 1130 . 1 . 1 121 121 VAL HB H 1 1.898 0.003 . 1 . . 1288 . A 108 VAL HB . 34608 1 1131 . 1 . 1 121 121 VAL HG11 H 1 0.315 0.004 . 2 . . 1284 . A 108 VAL HG11 . 34608 1 1132 . 1 . 1 121 121 VAL HG12 H 1 0.315 0.004 . 2 . . 1284 . A 108 VAL HG12 . 34608 1 1133 . 1 . 1 121 121 VAL HG13 H 1 0.315 0.004 . 2 . . 1284 . A 108 VAL HG13 . 34608 1 1134 . 1 . 1 121 121 VAL HG21 H 1 0.774 0.001 . 2 . . 1285 . A 108 VAL HG21 . 34608 1 1135 . 1 . 1 121 121 VAL HG22 H 1 0.774 0.001 . 2 . . 1285 . A 108 VAL HG22 . 34608 1 1136 . 1 . 1 121 121 VAL HG23 H 1 0.774 0.001 . 2 . . 1285 . A 108 VAL HG23 . 34608 1 1137 . 1 . 1 121 121 VAL CA C 13 66.168 0.045 . 1 . . 1281 . A 108 VAL CA . 34608 1 1138 . 1 . 1 121 121 VAL CB C 13 31.661 0.125 . 1 . . 1287 . A 108 VAL CB . 34608 1 1139 . 1 . 1 121 121 VAL CG1 C 13 20.672 0.058 . 2 . . 1283 . A 108 VAL CG1 . 34608 1 1140 . 1 . 1 121 121 VAL CG2 C 13 23.122 0.02 . 2 . . 1286 . A 108 VAL CG2 . 34608 1 1141 . 1 . 1 122 122 MET H H 1 8.189 0.011 . 1 . . 744 . A 109 MET H . 34608 1 1142 . 1 . 1 122 122 MET HA H 1 4.258 0.008 . 1 . . 1501 . A 109 MET HA . 34608 1 1143 . 1 . 1 122 122 MET HB2 H 1 1.897 0.0 . 2 . . 1551 . A 109 MET HB2 . 34608 1 1144 . 1 . 1 122 122 MET HB3 H 1 2.168 0.042 . 2 . . 1556 . A 109 MET HB3 . 34608 1 1145 . 1 . 1 122 122 MET HG2 H 1 2.711 0.007 . 2 . . 1552 . A 109 MET HG2 . 34608 1 1146 . 1 . 1 122 122 MET HG3 H 1 2.542 0.004 . 2 . . 1555 . A 109 MET HG3 . 34608 1 1147 . 1 . 1 122 122 MET HE1 H 1 1.940 0.022 . 1 . . 1500 . A 109 MET HE1 . 34608 1 1148 . 1 . 1 122 122 MET HE2 H 1 1.940 0.022 . 1 . . 1500 . A 109 MET HE2 . 34608 1 1149 . 1 . 1 122 122 MET HE3 H 1 1.940 0.022 . 1 . . 1500 . A 109 MET HE3 . 34608 1 1150 . 1 . 1 122 122 MET CA C 13 57.511 0.053 . 1 . . 1502 . A 109 MET CA . 34608 1 1151 . 1 . 1 122 122 MET CB C 13 31.166 0.049 . 1 . . 1643 . A 109 MET CB . 34608 1 1152 . 1 . 1 122 122 MET CG C 13 33.092 0.079 . 1 . . 1554 . A 109 MET CG . 34608 1 1153 . 1 . 1 122 122 MET CE C 13 17.471 0.052 . 1 . . 1499 . A 109 MET CE . 34608 1 1154 . 1 . 1 122 122 MET N N 15 116.101 . . 1 . . 745 . A 109 MET N . 34608 1 1155 . 1 . 1 123 123 THR H H 1 8.097 0.009 . 1 . . 2029 . A 110 THR H . 34608 1 1156 . 1 . 1 123 123 THR HA H 1 4.087 0.003 . 1 . . 1348 . A 110 THR HA . 34608 1 1157 . 1 . 1 123 123 THR HB H 1 4.232 0.007 . 1 . . 1270 . A 110 THR HB . 34608 1 1158 . 1 . 1 123 123 THR HG21 H 1 1.166 0.001 . 1 . . 1269 . A 110 THR HG21 . 34608 1 1159 . 1 . 1 123 123 THR HG22 H 1 1.166 0.001 . 1 . . 1269 . A 110 THR HG22 . 34608 1 1160 . 1 . 1 123 123 THR HG23 H 1 1.166 0.001 . 1 . . 1269 . A 110 THR HG23 . 34608 1 1161 . 1 . 1 123 123 THR CA C 13 65.887 0.051 . 1 . . 1349 . A 110 THR CA . 34608 1 1162 . 1 . 1 123 123 THR CB C 13 68.770 0.075 . 1 . . 1271 . A 110 THR CB . 34608 1 1163 . 1 . 1 123 123 THR CG2 C 13 21.533 0.034 . 1 . . 1268 . A 110 THR CG2 . 34608 1 1164 . 1 . 1 124 124 ASN H H 1 7.828 0.015 . 1 . . 702 . A 111 ASN H . 34608 1 1165 . 1 . 1 124 124 ASN HA H 1 4.419 0.001 . 1 . . 1264 . A 111 ASN HA . 34608 1 1166 . 1 . 1 124 124 ASN HB2 H 1 2.733 0.007 . 2 . . 1263 . A 111 ASN HB2 . 34608 1 1167 . 1 . 1 124 124 ASN HB3 H 1 2.740 0.011 . 2 . . 1266 . A 111 ASN HB3 . 34608 1 1168 . 1 . 1 124 124 ASN HD21 H 1 7.401 0.003 . 1 . . 1773 . A 111 ASN HD21 . 34608 1 1169 . 1 . 1 124 124 ASN HD22 H 1 6.506 0.001 . 1 . . 1774 . A 111 ASN HD22 . 34608 1 1170 . 1 . 1 124 124 ASN CA C 13 55.674 0.081 . 1 . . 1267 . A 111 ASN CA . 34608 1 1171 . 1 . 1 124 124 ASN CB C 13 38.335 0.038 . 1 . . 1265 . A 111 ASN CB . 34608 1 1172 . 1 . 1 124 124 ASN N N 15 122.189 . . 1 . . 703 . A 111 ASN N . 34608 1 1173 . 1 . 1 125 125 LEU H H 1 7.792 0.007 . 1 . . 674 . A 112 LEU H . 34608 1 1174 . 1 . 1 125 125 LEU HA H 1 4.261 . . 1 . . 1273 . A 112 LEU HA . 34608 1 1175 . 1 . 1 125 125 LEU HB2 H 1 1.817 0.03 . 2 . . 1276 . A 112 LEU HB2 . 34608 1 1176 . 1 . 1 125 125 LEU HB3 H 1 1.629 0.025 . 2 . . 1605 . A 112 LEU HB3 . 34608 1 1177 . 1 . 1 125 125 LEU HG H 1 1.729 0.018 . 1 . . 1278 . A 112 LEU HG . 34608 1 1178 . 1 . 1 125 125 LEU HD11 H 1 0.744 0.021 . 2 . . 1274 . A 112 LEU HD11 . 34608 1 1179 . 1 . 1 125 125 LEU HD12 H 1 0.744 0.021 . 2 . . 1274 . A 112 LEU HD12 . 34608 1 1180 . 1 . 1 125 125 LEU HD13 H 1 0.744 0.021 . 2 . . 1274 . A 112 LEU HD13 . 34608 1 1181 . 1 . 1 125 125 LEU HD21 H 1 0.752 0.003 . 2 . . 1645 . A 112 LEU HD21 . 34608 1 1182 . 1 . 1 125 125 LEU HD22 H 1 0.752 0.003 . 2 . . 1645 . A 112 LEU HD22 . 34608 1 1183 . 1 . 1 125 125 LEU HD23 H 1 0.752 0.003 . 2 . . 1645 . A 112 LEU HD23 . 34608 1 1184 . 1 . 1 125 125 LEU CA C 13 55.327 . . 1 . . 1272 . A 112 LEU CA . 34608 1 1185 . 1 . 1 125 125 LEU CB C 13 42.077 0.042 . 1 . . 1275 . A 112 LEU CB . 34608 1 1186 . 1 . 1 125 125 LEU CG C 13 26.345 0.08 . 1 . . 1277 . A 112 LEU CG . 34608 1 1187 . 1 . 1 125 125 LEU CD1 C 13 22.640 0.027 . 2 . . 1280 . A 112 LEU CD1 . 34608 1 1188 . 1 . 1 125 125 LEU CD2 C 13 25.700 0.022 . 2 . . 1646 . A 112 LEU CD2 . 34608 1 1189 . 1 . 1 125 125 LEU N N 15 118.114 . . 1 . . 675 . A 112 LEU N . 34608 1 1190 . 1 . 1 126 126 GLY H H 1 7.817 0.019 . 1 . . 732 . A 113 GLY H . 34608 1 1191 . 1 . 1 126 126 GLY HA2 H 1 3.668 0.003 . 2 . . 1095 . A 113 GLY HA2 . 34608 1 1192 . 1 . 1 126 126 GLY HA3 H 1 4.169 0.004 . 2 . . 1096 . A 113 GLY HA3 . 34608 1 1193 . 1 . 1 126 126 GLY CA C 13 45.442 0.047 . 1 . . 1094 . A 113 GLY CA . 34608 1 1194 . 1 . 1 126 126 GLY N N 15 106.533 . . 1 . . 733 . A 113 GLY N . 34608 1 1195 . 1 . 1 127 127 GLU H H 1 7.891 0.012 . 1 . . 543 . A 114 GLU H . 34608 1 1196 . 1 . 1 127 127 GLU HA H 1 4.347 0.002 . 1 . . 1647 . A 114 GLU HA . 34608 1 1197 . 1 . 1 127 127 GLU HB2 H 1 1.654 0.002 . 2 . . 1648 . A 114 GLU HB2 . 34608 1 1198 . 1 . 1 127 127 GLU HB3 H 1 1.870 0.0 . 2 . . 1650 . A 114 GLU HB3 . 34608 1 1199 . 1 . 1 127 127 GLU HG2 H 1 2.049 0.003 . 2 . . 1651 . A 114 GLU HG2 . 34608 1 1200 . 1 . 1 127 127 GLU HG3 H 1 2.164 0.004 . 2 . . 1835 . A 114 GLU HG3 . 34608 1 1201 . 1 . 1 127 127 GLU CA C 13 55.179 0.013 . 1 . . 619 . A 114 GLU CA . 34608 1 1202 . 1 . 1 127 127 GLU CB C 13 30.482 0.034 . 1 . . 1649 . A 114 GLU CB . 34608 1 1203 . 1 . 1 127 127 GLU CG C 13 35.504 0.035 . 1 . . 1652 . A 114 GLU CG . 34608 1 1204 . 1 . 1 127 127 GLU N N 15 120.128 . . 1 . . 542 . A 114 GLU N . 34608 1 1205 . 1 . 1 128 128 LYS H H 1 8.525 0.008 . 1 . . 174 . A 115 LYS H . 34608 1 1206 . 1 . 1 128 128 LYS HA H 1 4.310 0.003 . 1 . . 1102 . A 115 LYS HA . 34608 1 1207 . 1 . 1 128 128 LYS HB2 H 1 1.709 0.003 . 2 . . 1103 . A 115 LYS HB2 . 34608 1 1208 . 1 . 1 128 128 LYS HB3 H 1 1.622 0.01 . 2 . . 1384 . A 115 LYS HB3 . 34608 1 1209 . 1 . 1 128 128 LYS HG2 H 1 1.245 0.001 . 2 . . 1557 . A 115 LYS HG2 . 34608 1 1210 . 1 . 1 128 128 LYS HG3 H 1 1.329 0.0 . 2 . . 1558 . A 115 LYS HG3 . 34608 1 1211 . 1 . 1 128 128 LYS HD2 H 1 1.589 0.002 . 1 . . 1104 . A 115 LYS HD2 . 34608 1 1212 . 1 . 1 128 128 LYS HE2 H 1 2.899 0.003 . 1 . . 1653 . A 115 LYS HE2 . 34608 1 1213 . 1 . 1 128 128 LYS CA C 13 55.577 0.032 . 1 . . 1101 . A 115 LYS CA . 34608 1 1214 . 1 . 1 128 128 LYS CB C 13 32.050 0.054 . 1 . . 1383 . A 115 LYS CB . 34608 1 1215 . 1 . 1 128 128 LYS CG C 13 24.550 0.014 . 1 . . 1654 . A 115 LYS CG . 34608 1 1216 . 1 . 1 128 128 LYS CD C 13 29.076 0.016 . 1 . . 1105 . A 115 LYS CD . 34608 1 1217 . 1 . 1 128 128 LYS CE C 13 42.076 0.001 . 1 . . 1655 . A 115 LYS CE . 34608 1 1218 . 1 . 1 128 128 LYS N N 15 123.921 . . 1 . . 175 . A 115 LYS N . 34608 1 1219 . 1 . 1 129 129 LEU H H 1 8.083 0.009 . 1 . . 14 . A 116 LEU H . 34608 1 1220 . 1 . 1 129 129 LEU HA H 1 4.715 0.002 . 1 . . 1358 . A 116 LEU HA . 34608 1 1221 . 1 . 1 129 129 LEU HB2 H 1 1.408 0.004 . 2 . . 1359 . A 116 LEU HB2 . 34608 1 1222 . 1 . 1 129 129 LEU HB3 H 1 1.491 0.011 . 2 . . 1360 . A 116 LEU HB3 . 34608 1 1223 . 1 . 1 129 129 LEU HG H 1 1.497 0.012 . 1 . . 1656 . A 116 LEU HG . 34608 1 1224 . 1 . 1 129 129 LEU HD11 H 1 0.701 0.002 . 2 . . 1901 . A 116 LEU HD11 . 34608 1 1225 . 1 . 1 129 129 LEU HD12 H 1 0.701 0.002 . 2 . . 1901 . A 116 LEU HD12 . 34608 1 1226 . 1 . 1 129 129 LEU HD13 H 1 0.701 0.002 . 2 . . 1901 . A 116 LEU HD13 . 34608 1 1227 . 1 . 1 129 129 LEU HD21 H 1 0.715 0.021 . 2 . . 1903 . A 116 LEU HD21 . 34608 1 1228 . 1 . 1 129 129 LEU HD22 H 1 0.715 0.021 . 2 . . 1903 . A 116 LEU HD22 . 34608 1 1229 . 1 . 1 129 129 LEU HD23 H 1 0.715 0.021 . 2 . . 1903 . A 116 LEU HD23 . 34608 1 1230 . 1 . 1 129 129 LEU CA C 13 53.964 . . 1 . . 598 . A 116 LEU CA . 34608 1 1231 . 1 . 1 129 129 LEU CB C 13 44.799 0.028 . 1 . . 655 . A 116 LEU CB . 34608 1 1232 . 1 . 1 129 129 LEU CG C 13 27.433 0.011 . 1 . . 1657 . A 116 LEU CG . 34608 1 1233 . 1 . 1 129 129 LEU CD1 C 13 26.761 0.047 . 2 . . 1902 . A 116 LEU CD1 . 34608 1 1234 . 1 . 1 129 129 LEU CD2 C 13 23.876 0.046 . 2 . . 1904 . A 116 LEU CD2 . 34608 1 1235 . 1 . 1 129 129 LEU N N 15 124.662 . . 1 . . 15 . A 116 LEU N . 34608 1 1236 . 1 . 1 130 130 THR H H 1 9.148 0.008 . 1 . . 80 . A 117 THR H . 34608 1 1237 . 1 . 1 130 130 THR HA H 1 4.401 0.004 . 1 . . 1107 . A 117 THR HA . 34608 1 1238 . 1 . 1 130 130 THR HB H 1 4.686 . . 1 . . 2034 . A 117 THR HB . 34608 1 1239 . 1 . 1 130 130 THR HG21 H 1 1.262 0.001 . 1 . . 1108 . A 117 THR HG21 . 34608 1 1240 . 1 . 1 130 130 THR HG22 H 1 1.262 0.001 . 1 . . 1108 . A 117 THR HG22 . 34608 1 1241 . 1 . 1 130 130 THR HG23 H 1 1.262 0.001 . 1 . . 1108 . A 117 THR HG23 . 34608 1 1242 . 1 . 1 130 130 THR CA C 13 60.569 0.045 . 1 . . 1106 . A 117 THR CA . 34608 1 1243 . 1 . 1 130 130 THR CG2 C 13 21.811 0.01 . 1 . . 1110 . A 117 THR CG2 . 34608 1 1244 . 1 . 1 130 130 THR N N 15 114.347 . . 1 . . 81 . A 117 THR N . 34608 1 1245 . 1 . 1 131 131 ASP H H 1 8.853 0.01 . 1 . . 139 . A 118 ASP H . 34608 1 1246 . 1 . 1 131 131 ASP HA H 1 4.143 0.002 . 1 . . 1114 . A 118 ASP HA . 34608 1 1247 . 1 . 1 131 131 ASP HB2 H 1 2.672 0.005 . 2 . . 1112 . A 118 ASP HB2 . 34608 1 1248 . 1 . 1 131 131 ASP HB3 H 1 2.509 0.001 . 2 . . 1113 . A 118 ASP HB3 . 34608 1 1249 . 1 . 1 131 131 ASP CA C 13 57.950 0.03 . 1 . . 599 . A 118 ASP CA . 34608 1 1250 . 1 . 1 131 131 ASP CB C 13 39.615 0.012 . 1 . . 1111 . A 118 ASP CB . 34608 1 1251 . 1 . 1 131 131 ASP N N 15 120.852 . . 1 . . 140 . A 118 ASP N . 34608 1 1252 . 1 . 1 132 132 GLU H H 1 8.615 0.008 . 1 . . 50 . A 119 GLU H . 34608 1 1253 . 1 . 1 132 132 GLU HA H 1 4.032 0.007 . 1 . . 1116 . A 119 GLU HA . 34608 1 1254 . 1 . 1 132 132 GLU HB2 H 1 1.872 0.003 . 2 . . 1119 . A 119 GLU HB2 . 34608 1 1255 . 1 . 1 132 132 GLU HB3 H 1 1.979 0.011 . 2 . . 1120 . A 119 GLU HB3 . 34608 1 1256 . 1 . 1 132 132 GLU HG2 H 1 2.264 0.01 . 2 . . 1115 . A 119 GLU HG2 . 34608 1 1257 . 1 . 1 132 132 GLU HG3 H 1 2.324 0.005 . 2 . . 1118 . A 119 GLU HG3 . 34608 1 1258 . 1 . 1 132 132 GLU CA C 13 59.738 0.096 . 1 . . 1117 . A 119 GLU CA . 34608 1 1259 . 1 . 1 132 132 GLU CB C 13 29.111 0.074 . 1 . . 656 . A 119 GLU CB . 34608 1 1260 . 1 . 1 132 132 GLU CG C 13 36.502 0.115 . 1 . . 1121 . A 119 GLU CG . 34608 1 1261 . 1 . 1 132 132 GLU N N 15 118.888 . . 1 . . 51 . A 119 GLU N . 34608 1 1262 . 1 . 1 133 133 GLU H H 1 7.708 . . 1 . . 2035 . A 120 GLU H . 34608 1 1263 . 1 . 1 133 133 GLU HA H 1 3.976 0.026 . 1 . . 1123 . A 120 GLU HA . 34608 1 1264 . 1 . 1 133 133 GLU HB2 H 1 1.838 0.001 . 2 . . 1659 . A 120 GLU HB2 . 34608 1 1265 . 1 . 1 133 133 GLU HB3 H 1 2.341 0.005 . 2 . . 1892 . A 120 GLU HB3 . 34608 1 1266 . 1 . 1 133 133 GLU HG2 H 1 2.353 0.0 . 2 . . 1124 . A 120 GLU HG2 . 34608 1 1267 . 1 . 1 133 133 GLU HG3 H 1 2.240 0.02 . 2 . . 1658 . A 120 GLU HG3 . 34608 1 1268 . 1 . 1 133 133 GLU CA C 13 59.465 0.038 . 1 . . 1122 . A 120 GLU CA . 34608 1 1269 . 1 . 1 133 133 GLU CB C 13 30.454 0.123 . 1 . . 657 . A 120 GLU CB . 34608 1 1270 . 1 . 1 133 133 GLU CG C 13 36.031 0.015 . 1 . . 1125 . A 120 GLU CG . 34608 1 1271 . 1 . 1 134 134 VAL H H 1 8.003 0.014 . 1 . . 27 . A 121 VAL H . 34608 1 1272 . 1 . 1 134 134 VAL HA H 1 3.519 0.002 . 1 . . 1127 . A 121 VAL HA . 34608 1 1273 . 1 . 1 134 134 VAL HB H 1 2.168 0.026 . 1 . . 1131 . A 121 VAL HB . 34608 1 1274 . 1 . 1 134 134 VAL HG11 H 1 0.893 0.003 . 2 . . 1128 . A 121 VAL HG11 . 34608 1 1275 . 1 . 1 134 134 VAL HG12 H 1 0.893 0.003 . 2 . . 1128 . A 121 VAL HG12 . 34608 1 1276 . 1 . 1 134 134 VAL HG13 H 1 0.893 0.003 . 2 . . 1128 . A 121 VAL HG13 . 34608 1 1277 . 1 . 1 134 134 VAL HG21 H 1 0.947 0.012 . 2 . . 1129 . A 121 VAL HG21 . 34608 1 1278 . 1 . 1 134 134 VAL HG22 H 1 0.947 0.012 . 2 . . 1129 . A 121 VAL HG22 . 34608 1 1279 . 1 . 1 134 134 VAL HG23 H 1 0.947 0.012 . 2 . . 1129 . A 121 VAL HG23 . 34608 1 1280 . 1 . 1 134 134 VAL CA C 13 66.932 0.033 . 1 . . 1126 . A 121 VAL CA . 34608 1 1281 . 1 . 1 134 134 VAL CB C 13 31.387 0.038 . 1 . . 1130 . A 121 VAL CB . 34608 1 1282 . 1 . 1 134 134 VAL CG1 C 13 23.848 0.013 . 2 . . 1132 . A 121 VAL CG1 . 34608 1 1283 . 1 . 1 134 134 VAL CG2 C 13 22.253 0.065 . 2 . . 1133 . A 121 VAL CG2 . 34608 1 1284 . 1 . 1 134 134 VAL N N 15 120.791 . . 1 . . 28 . A 121 VAL N . 34608 1 1285 . 1 . 1 135 135 ASP H H 1 7.985 0.01 . 1 . . 44 . A 122 ASP H . 34608 1 1286 . 1 . 1 135 135 ASP HA H 1 4.260 0.009 . 1 . . 1134 . A 122 ASP HA . 34608 1 1287 . 1 . 1 135 135 ASP HB2 H 1 2.558 0.007 . 2 . . 1135 . A 122 ASP HB2 . 34608 1 1288 . 1 . 1 135 135 ASP HB3 H 1 2.697 0.004 . 2 . . 1136 . A 122 ASP HB3 . 34608 1 1289 . 1 . 1 135 135 ASP CA C 13 57.570 0.042 . 1 . . 841 . A 122 ASP CA . 34608 1 1290 . 1 . 1 135 135 ASP CB C 13 40.438 0.07 . 1 . . 842 . A 122 ASP CB . 34608 1 1291 . 1 . 1 135 135 ASP N N 15 119.293 . . 1 . . 45 . A 122 ASP N . 34608 1 1292 . 1 . 1 136 136 GLU H H 1 7.980 0.007 . 1 . . 839 . A 123 GLU H . 34608 1 1293 . 1 . 1 136 136 GLU HA H 1 3.960 0.037 . 1 . . 1138 . A 123 GLU HA . 34608 1 1294 . 1 . 1 136 136 GLU HB2 H 1 1.984 0.016 . 2 . . 1139 . A 123 GLU HB2 . 34608 1 1295 . 1 . 1 136 136 GLU HB3 H 1 2.055 0.001 . 2 . . 2078 . A 123 GLU HB3 . 34608 1 1296 . 1 . 1 136 136 GLU HG2 H 1 2.286 0.007 . 2 . . 1141 . A 123 GLU HG2 . 34608 1 1297 . 1 . 1 136 136 GLU HG3 H 1 2.213 0.008 . 2 . . 1660 . A 123 GLU HG3 . 34608 1 1298 . 1 . 1 136 136 GLU CA C 13 59.218 0.001 . 1 . . 1137 . A 123 GLU CA . 34608 1 1299 . 1 . 1 136 136 GLU CB C 13 29.470 0.051 . 1 . . 672 . A 123 GLU CB . 34608 1 1300 . 1 . 1 136 136 GLU CG C 13 35.969 0.081 . 1 . . 1140 . A 123 GLU CG . 34608 1 1301 . 1 . 1 136 136 GLU N N 15 119.260 . . 1 . . 840 . A 123 GLU N . 34608 1 1302 . 1 . 1 137 137 MET H H 1 7.768 0.014 . 1 . . 550 . A 124 MET H . 34608 1 1303 . 1 . 1 137 137 MET HA H 1 3.976 . . 1 . . 1862 . A 124 MET HA . 34608 1 1304 . 1 . 1 137 137 MET HB2 H 1 1.953 0.006 . 2 . . 1661 . A 124 MET HB2 . 34608 1 1305 . 1 . 1 137 137 MET HB3 H 1 2.235 0.023 . 2 . . 1861 . A 124 MET HB3 . 34608 1 1306 . 1 . 1 137 137 MET HG2 H 1 2.382 0.004 . 2 . . 1857 . A 124 MET HG2 . 34608 1 1307 . 1 . 1 137 137 MET HG3 H 1 2.704 0.007 . 2 . . 1859 . A 124 MET HG3 . 34608 1 1308 . 1 . 1 137 137 MET HE1 H 1 1.962 0.019 . 1 . . 1855 . A 124 MET HE1 . 34608 1 1309 . 1 . 1 137 137 MET HE2 H 1 1.962 0.019 . 1 . . 1855 . A 124 MET HE2 . 34608 1 1310 . 1 . 1 137 137 MET HE3 H 1 1.962 0.019 . 1 . . 1855 . A 124 MET HE3 . 34608 1 1311 . 1 . 1 137 137 MET CB C 13 33.357 0.045 . 1 . . 1860 . A 124 MET CB . 34608 1 1312 . 1 . 1 137 137 MET CG C 13 32.548 0.06 . 1 . . 1858 . A 124 MET CG . 34608 1 1313 . 1 . 1 137 137 MET CE C 13 16.985 . . 1 . . 1856 . A 124 MET CE . 34608 1 1314 . 1 . 1 137 137 MET N N 15 119.163 . . 1 . . 551 . A 124 MET N . 34608 1 1315 . 1 . 1 138 138 ILE H H 1 7.878 0.005 . 1 . . 824 . A 125 ILE H . 34608 1 1316 . 1 . 1 138 138 ILE HA H 1 3.426 0.003 . 1 . . 1148 . A 125 ILE HA . 34608 1 1317 . 1 . 1 138 138 ILE HB H 1 2.061 0.003 . 1 . . 1147 . A 125 ILE HB . 34608 1 1318 . 1 . 1 138 138 ILE HG12 H 1 1.218 0.003 . 2 . . 1144 . A 125 ILE HG12 . 34608 1 1319 . 1 . 1 138 138 ILE HG13 H 1 1.463 0.004 . 2 . . 1229 . A 125 ILE HG13 . 34608 1 1320 . 1 . 1 138 138 ILE HG21 H 1 0.650 0.001 . 1 . . 1150 . A 125 ILE HG21 . 34608 1 1321 . 1 . 1 138 138 ILE HG22 H 1 0.650 0.001 . 1 . . 1150 . A 125 ILE HG22 . 34608 1 1322 . 1 . 1 138 138 ILE HG23 H 1 0.650 0.001 . 1 . . 1150 . A 125 ILE HG23 . 34608 1 1323 . 1 . 1 138 138 ILE HD11 H 1 0.648 0.001 . 1 . . 1143 . A 125 ILE HD11 . 34608 1 1324 . 1 . 1 138 138 ILE HD12 H 1 0.648 0.001 . 1 . . 1143 . A 125 ILE HD12 . 34608 1 1325 . 1 . 1 138 138 ILE HD13 H 1 0.648 0.001 . 1 . . 1143 . A 125 ILE HD13 . 34608 1 1326 . 1 . 1 138 138 ILE CA C 13 63.752 0.08 . 1 . . 601 . A 125 ILE CA . 34608 1 1327 . 1 . 1 138 138 ILE CB C 13 36.260 0.051 . 1 . . 673 . A 125 ILE CB . 34608 1 1328 . 1 . 1 138 138 ILE CG1 C 13 28.083 0.06 . 1 . . 1146 . A 125 ILE CG1 . 34608 1 1329 . 1 . 1 138 138 ILE CG2 C 13 16.258 0.02 . 1 . . 1149 . A 125 ILE CG2 . 34608 1 1330 . 1 . 1 138 138 ILE CD1 C 13 10.826 0.018 . 1 . . 1142 . A 125 ILE CD1 . 34608 1 1331 . 1 . 1 138 138 ILE N N 15 117.747 . . 1 . . 540 . A 125 ILE N . 34608 1 1332 . 1 . 1 139 139 ARG H H 1 8.162 0.007 . 1 . . 533 . A 126 ARG H . 34608 1 1333 . 1 . 1 139 139 ARG HA H 1 3.942 0.005 . 1 . . 1152 . A 126 ARG HA . 34608 1 1334 . 1 . 1 139 139 ARG HB2 H 1 1.795 0.004 . 2 . . 1154 . A 126 ARG HB2 . 34608 1 1335 . 1 . 1 139 139 ARG HB3 H 1 1.862 0.004 . 2 . . 1662 . A 126 ARG HB3 . 34608 1 1336 . 1 . 1 139 139 ARG HG2 H 1 1.557 0.004 . 2 . . 1153 . A 126 ARG HG2 . 34608 1 1337 . 1 . 1 139 139 ARG HG3 H 1 1.705 0.002 . 2 . . 1813 . A 126 ARG HG3 . 34608 1 1338 . 1 . 1 139 139 ARG HD2 H 1 3.145 0.004 . 1 . . 1155 . A 126 ARG HD2 . 34608 1 1339 . 1 . 1 139 139 ARG CA C 13 59.581 0.024 . 1 . . 1151 . A 126 ARG CA . 34608 1 1340 . 1 . 1 139 139 ARG CB C 13 30.174 0.051 . 1 . . 658 . A 126 ARG CB . 34608 1 1341 . 1 . 1 139 139 ARG CG C 13 27.777 0.071 . 1 . . 1157 . A 126 ARG CG . 34608 1 1342 . 1 . 1 139 139 ARG CD C 13 43.388 0.016 . 1 . . 1156 . A 126 ARG CD . 34608 1 1343 . 1 . 1 139 139 ARG N N 15 118.032 . . 1 . . 532 . A 126 ARG N . 34608 1 1344 . 1 . 1 140 140 GLU H H 1 7.872 0.01 . 1 . . 71 . A 127 GLU H . 34608 1 1345 . 1 . 1 140 140 GLU HA H 1 3.935 0.045 . 1 . . 1538 . A 127 GLU HA . 34608 1 1346 . 1 . 1 140 140 GLU HB2 H 1 1.967 0.003 . 2 . . 1536 . A 127 GLU HB2 . 34608 1 1347 . 1 . 1 140 140 GLU HB3 H 1 2.002 0.0 . 2 . . 1537 . A 127 GLU HB3 . 34608 1 1348 . 1 . 1 140 140 GLU HG2 H 1 2.370 0.001 . 2 . . 1523 . A 127 GLU HG2 . 34608 1 1349 . 1 . 1 140 140 GLU HG3 H 1 2.201 0.0 . 2 . . 1666 . A 127 GLU HG3 . 34608 1 1350 . 1 . 1 140 140 GLU CA C 13 58.601 0.043 . 1 . . 1663 . A 127 GLU CA . 34608 1 1351 . 1 . 1 140 140 GLU CB C 13 29.696 0.019 . 1 . . 1664 . A 127 GLU CB . 34608 1 1352 . 1 . 1 140 140 GLU CG C 13 36.335 0.029 . 1 . . 1665 . A 127 GLU CG . 34608 1 1353 . 1 . 1 140 140 GLU N N 15 115.764 . . 1 . . 72 . A 127 GLU N . 34608 1 1354 . 1 . 1 141 141 ALA H H 1 7.258 0.008 . 1 . . 54 . A 128 ALA H . 34608 1 1355 . 1 . 1 141 141 ALA HA H 1 4.367 0.004 . 1 . . 1159 . A 128 ALA HA . 34608 1 1356 . 1 . 1 141 141 ALA HB1 H 1 1.359 0.002 . 1 . . 1158 . A 128 ALA HB1 . 34608 1 1357 . 1 . 1 141 141 ALA HB2 H 1 1.359 0.002 . 1 . . 1158 . A 128 ALA HB2 . 34608 1 1358 . 1 . 1 141 141 ALA HB3 H 1 1.359 0.002 . 1 . . 1158 . A 128 ALA HB3 . 34608 1 1359 . 1 . 1 141 141 ALA CA C 13 51.941 0.067 . 1 . . 602 . A 128 ALA CA . 34608 1 1360 . 1 . 1 141 141 ALA CB C 13 21.295 0.025 . 1 . . 659 . A 128 ALA CB . 34608 1 1361 . 1 . 1 141 141 ALA N N 15 118.494 . . 1 . . 55 . A 128 ALA N . 34608 1 1362 . 1 . 1 142 142 ASP H H 1 7.833 0.007 . 1 . . 241 . A 129 ASP H . 34608 1 1363 . 1 . 1 142 142 ASP HA H 1 4.429 0.006 . 1 . . 1161 . A 129 ASP HA . 34608 1 1364 . 1 . 1 142 142 ASP HB2 H 1 2.419 0.003 . 2 . . 1162 . A 129 ASP HB2 . 34608 1 1365 . 1 . 1 142 142 ASP HB3 H 1 2.781 0.004 . 2 . . 1535 . A 129 ASP HB3 . 34608 1 1366 . 1 . 1 142 142 ASP CA C 13 53.915 0.063 . 1 . . 1160 . A 129 ASP CA . 34608 1 1367 . 1 . 1 142 142 ASP CB C 13 40.274 0.038 . 1 . . 660 . A 129 ASP CB . 34608 1 1368 . 1 . 1 142 142 ASP N N 15 117.412 . . 1 . . 242 . A 129 ASP N . 34608 1 1369 . 1 . 1 143 143 ILE H H 1 8.275 0.013 . 1 . . 5 . A 130 ILE H . 34608 1 1370 . 1 . 1 143 143 ILE HA H 1 3.831 0.006 . 1 . . 1163 . A 130 ILE HA . 34608 1 1371 . 1 . 1 143 143 ILE HB H 1 1.933 0.002 . 1 . . 1164 . A 130 ILE HB . 34608 1 1372 . 1 . 1 143 143 ILE HG12 H 1 1.255 0.003 . 2 . . 1165 . A 130 ILE HG12 . 34608 1 1373 . 1 . 1 143 143 ILE HG13 H 1 1.618 0.001 . 2 . . 1166 . A 130 ILE HG13 . 34608 1 1374 . 1 . 1 143 143 ILE HG21 H 1 0.868 0.012 . 1 . . 1168 . A 130 ILE HG21 . 34608 1 1375 . 1 . 1 143 143 ILE HG22 H 1 0.868 0.012 . 1 . . 1168 . A 130 ILE HG22 . 34608 1 1376 . 1 . 1 143 143 ILE HG23 H 1 0.868 0.012 . 1 . . 1168 . A 130 ILE HG23 . 34608 1 1377 . 1 . 1 143 143 ILE HD11 H 1 0.819 0.005 . 1 . . 1169 . A 130 ILE HD11 . 34608 1 1378 . 1 . 1 143 143 ILE HD12 H 1 0.819 0.005 . 1 . . 1169 . A 130 ILE HD12 . 34608 1 1379 . 1 . 1 143 143 ILE HD13 H 1 0.819 0.005 . 1 . . 1169 . A 130 ILE HD13 . 34608 1 1380 . 1 . 1 143 143 ILE CA C 13 63.316 0.022 . 1 . . 603 . A 130 ILE CA . 34608 1 1381 . 1 . 1 143 143 ILE CB C 13 38.479 0.048 . 1 . . 661 . A 130 ILE CB . 34608 1 1382 . 1 . 1 143 143 ILE CG1 C 13 27.875 0.031 . 1 . . 1167 . A 130 ILE CG1 . 34608 1 1383 . 1 . 1 143 143 ILE CG2 C 13 17.361 0.054 . 1 . . 1170 . A 130 ILE CG2 . 34608 1 1384 . 1 . 1 143 143 ILE CD1 C 13 12.280 0.017 . 1 . . 1171 . A 130 ILE CD1 . 34608 1 1385 . 1 . 1 143 143 ILE N N 15 127.529 . . 1 . . 6 . A 130 ILE N . 34608 1 1386 . 1 . 1 144 144 ASP H H 1 8.257 0.005 . 1 . . 127 . A 131 ASP H . 34608 1 1387 . 1 . 1 144 144 ASP HA H 1 4.468 0.004 . 1 . . 1173 . A 131 ASP HA . 34608 1 1388 . 1 . 1 144 144 ASP HB2 H 1 2.581 0.004 . 2 . . 1174 . A 131 ASP HB2 . 34608 1 1389 . 1 . 1 144 144 ASP HB3 H 1 3.011 0.006 . 2 . . 1175 . A 131 ASP HB3 . 34608 1 1390 . 1 . 1 144 144 ASP CA C 13 53.699 0.134 . 1 . . 1172 . A 131 ASP CA . 34608 1 1391 . 1 . 1 144 144 ASP CB C 13 39.821 0.108 . 1 . . 662 . A 131 ASP CB . 34608 1 1392 . 1 . 1 144 144 ASP N N 15 116.319 . . 1 . . 128 . A 131 ASP N . 34608 1 1393 . 1 . 1 145 145 GLY H H 1 7.523 0.011 . 1 . . 124 . A 132 GLY H . 34608 1 1394 . 1 . 1 145 145 GLY HA2 H 1 3.740 0.006 . 2 . . 1177 . A 132 GLY HA2 . 34608 1 1395 . 1 . 1 145 145 GLY HA3 H 1 3.909 0.001 . 2 . . 1178 . A 132 GLY HA3 . 34608 1 1396 . 1 . 1 145 145 GLY CA C 13 47.473 0.037 . 1 . . 1176 . A 132 GLY CA . 34608 1 1397 . 1 . 1 145 145 GLY N N 15 108.310 . . 1 . . 125 . A 132 GLY N . 34608 1 1398 . 1 . 1 146 146 ASP H H 1 8.277 0.011 . 1 . . 147 . A 133 ASP H . 34608 1 1399 . 1 . 1 146 146 ASP HA H 1 4.407 0.005 . 1 . . 1180 . A 133 ASP HA . 34608 1 1400 . 1 . 1 146 146 ASP HB2 H 1 2.426 0.003 . 2 . . 1181 . A 133 ASP HB2 . 34608 1 1401 . 1 . 1 146 146 ASP HB3 H 1 2.882 0.004 . 2 . . 1182 . A 133 ASP HB3 . 34608 1 1402 . 1 . 1 146 146 ASP CA C 13 53.629 0.052 . 1 . . 1179 . A 133 ASP CA . 34608 1 1403 . 1 . 1 146 146 ASP CB C 13 40.141 0.08 . 1 . . 663 . A 133 ASP CB . 34608 1 1404 . 1 . 1 146 146 ASP N N 15 120.558 . . 1 . . 148 . A 133 ASP N . 34608 1 1405 . 1 . 1 147 147 GLY H H 1 10.307 0.01 . 1 . . 133 . A 134 GLY H . 34608 1 1406 . 1 . 1 147 147 GLY HA2 H 1 3.354 0.002 . 2 . . 1183 . A 134 GLY HA2 . 34608 1 1407 . 1 . 1 147 147 GLY HA3 H 1 3.972 0.003 . 2 . . 1184 . A 134 GLY HA3 . 34608 1 1408 . 1 . 1 147 147 GLY CA C 13 45.635 0.084 . 1 . . 604 . A 134 GLY CA . 34608 1 1409 . 1 . 1 147 147 GLY N N 15 112.656 . . 1 . . 90 . A 134 GLY N . 34608 1 1410 . 1 . 1 148 148 GLN H H 1 7.906 0.013 . 1 . . 75 . A 135 GLN H . 34608 1 1411 . 1 . 1 148 148 GLN HA H 1 4.803 0.01 . 1 . . 1185 . A 135 GLN HA . 34608 1 1412 . 1 . 1 148 148 GLN HB2 H 1 1.913 0.011 . 2 . . 1186 . A 135 GLN HB2 . 34608 1 1413 . 1 . 1 148 148 GLN HB3 H 1 1.630 0.002 . 2 . . 1187 . A 135 GLN HB3 . 34608 1 1414 . 1 . 1 148 148 GLN HG2 H 1 1.879 0.002 . 1 . . 1667 . A 135 GLN HG2 . 34608 1 1415 . 1 . 1 148 148 GLN HG3 H 1 1.879 0.002 . 1 . . 1780 . A 135 GLN HG3 . 34608 1 1416 . 1 . 1 148 148 GLN HE21 H 1 6.418 0.0 . 1 . . 1778 . A 135 GLN HE21 . 34608 1 1417 . 1 . 1 148 148 GLN HE22 H 1 5.853 0.002 . 1 . . 1779 . A 135 GLN HE22 . 34608 1 1418 . 1 . 1 148 148 GLN CA C 13 53.258 . . 1 . . 605 . A 135 GLN CA . 34608 1 1419 . 1 . 1 148 148 GLN CB C 13 32.329 0.079 . 1 . . 1188 . A 135 GLN CB . 34608 1 1420 . 1 . 1 148 148 GLN CG C 13 32.951 0.056 . 1 . . 1668 . A 135 GLN CG . 34608 1 1421 . 1 . 1 148 148 GLN N N 15 115.135 . . 1 . . 76 . A 135 GLN N . 34608 1 1422 . 1 . 1 149 149 VAL H H 1 9.064 0.008 . 1 . . 12 . A 136 VAL H . 34608 1 1423 . 1 . 1 149 149 VAL HA H 1 5.136 0.005 . 1 . . 1191 . A 136 VAL HA . 34608 1 1424 . 1 . 1 149 149 VAL HB H 1 2.222 0.007 . 1 . . 1194 . A 136 VAL HB . 34608 1 1425 . 1 . 1 149 149 VAL HG11 H 1 0.840 0.016 . 2 . . 1190 . A 136 VAL HG11 . 34608 1 1426 . 1 . 1 149 149 VAL HG12 H 1 0.840 0.016 . 2 . . 1190 . A 136 VAL HG12 . 34608 1 1427 . 1 . 1 149 149 VAL HG13 H 1 0.840 0.016 . 2 . . 1190 . A 136 VAL HG13 . 34608 1 1428 . 1 . 1 149 149 VAL HG21 H 1 1.206 0.003 . 2 . . 1193 . A 136 VAL HG21 . 34608 1 1429 . 1 . 1 149 149 VAL HG22 H 1 1.206 0.003 . 2 . . 1193 . A 136 VAL HG22 . 34608 1 1430 . 1 . 1 149 149 VAL HG23 H 1 1.206 0.003 . 2 . . 1193 . A 136 VAL HG23 . 34608 1 1431 . 1 . 1 149 149 VAL CA C 13 61.650 0.061 . 1 . . 606 . A 136 VAL CA . 34608 1 1432 . 1 . 1 149 149 VAL CB C 13 33.655 0.065 . 1 . . 664 . A 136 VAL CB . 34608 1 1433 . 1 . 1 149 149 VAL CG1 C 13 22.385 0.046 . 2 . . 1189 . A 136 VAL CG1 . 34608 1 1434 . 1 . 1 149 149 VAL CG2 C 13 21.886 0.038 . 2 . . 1192 . A 136 VAL CG2 . 34608 1 1435 . 1 . 1 149 149 VAL N N 15 125.067 . . 1 . . 13 . A 136 VAL N . 34608 1 1436 . 1 . 1 150 150 ASN H H 1 9.449 0.008 . 1 . . 1 . A 137 ASN H . 34608 1 1437 . 1 . 1 150 150 ASN HA H 1 5.171 0.003 . 1 . . 1195 . A 137 ASN HA . 34608 1 1438 . 1 . 1 150 150 ASN HB2 H 1 3.167 0.014 . 2 . . 1196 . A 137 ASN HB2 . 34608 1 1439 . 1 . 1 150 150 ASN HB3 H 1 3.204 0.014 . 2 . . 1197 . A 137 ASN HB3 . 34608 1 1440 . 1 . 1 150 150 ASN HD21 H 1 6.838 0.003 . 1 . . 1775 . A 137 ASN HD21 . 34608 1 1441 . 1 . 1 150 150 ASN HD22 H 1 7.169 0.002 . 1 . . 2083 . A 137 ASN HD22 . 34608 1 1442 . 1 . 1 150 150 ASN CA C 13 51.115 0.066 . 1 . . 607 . A 137 ASN CA . 34608 1 1443 . 1 . 1 150 150 ASN CB C 13 38.259 0.037 . 1 . . 665 . A 137 ASN CB . 34608 1 1444 . 1 . 1 150 150 ASN N N 15 128.739 . . 1 . . 2 . A 137 ASN N . 34608 1 1445 . 1 . 1 151 151 TYR H H 1 8.407 0.0 . 1 . . 1925 . A 138 TYR H . 34608 1 1446 . 1 . 1 151 151 TYR HA H 1 3.349 0.004 . 1 . . 1354 . A 138 TYR HA . 34608 1 1447 . 1 . 1 151 151 TYR HB2 H 1 2.005 0.003 . 2 . . 1669 . A 138 TYR HB2 . 34608 1 1448 . 1 . 1 151 151 TYR HB3 H 1 2.321 0.002 . 2 . . 1670 . A 138 TYR HB3 . 34608 1 1449 . 1 . 1 151 151 TYR HD1 H 1 6.205 0.005 . 1 . . 1351 . A 138 TYR HD1 . 34608 1 1450 . 1 . 1 151 151 TYR HD2 H 1 6.205 0.005 . 1 . . 1351 . A 138 TYR HD2 . 34608 1 1451 . 1 . 1 151 151 TYR HE1 H 1 6.434 0.002 . 1 . . 1352 . A 138 TYR HE1 . 34608 1 1452 . 1 . 1 151 151 TYR HE2 H 1 6.434 0.002 . 1 . . 1352 . A 138 TYR HE2 . 34608 1 1453 . 1 . 1 151 151 TYR CA C 13 62.690 0.03 . 1 . . 608 . A 138 TYR CA . 34608 1 1454 . 1 . 1 151 151 TYR CB C 13 37.528 0.051 . 1 . . 666 . A 138 TYR CB . 34608 1 1455 . 1 . 1 151 151 TYR CD1 C 13 132.322 0.017 . 1 . . 1353 . A 138 TYR CD1 . 34608 1 1456 . 1 . 1 151 151 TYR CD2 C 13 132.322 0.017 . 1 . . 1353 . A 138 TYR CD2 . 34608 1 1457 . 1 . 1 151 151 TYR CE1 C 13 117.883 0.015 . 1 . . 1350 . A 138 TYR CE1 . 34608 1 1458 . 1 . 1 151 151 TYR CE2 C 13 117.883 0.015 . 1 . . 1350 . A 138 TYR CE2 . 34608 1 1459 . 1 . 1 152 152 GLU H H 1 8.060 0.009 . 1 . . 60 . A 139 GLU H . 34608 1 1460 . 1 . 1 152 152 GLU HA H 1 3.581 0.002 . 1 . . 1201 . A 139 GLU HA . 34608 1 1461 . 1 . 1 152 152 GLU HB2 H 1 2.025 0.005 . 2 . . 1203 . A 139 GLU HB2 . 34608 1 1462 . 1 . 1 152 152 GLU HB3 H 1 1.897 0.005 . 2 . . 1671 . A 139 GLU HB3 . 34608 1 1463 . 1 . 1 152 152 GLU HG2 H 1 2.231 0.003 . 2 . . 1200 . A 139 GLU HG2 . 34608 1 1464 . 1 . 1 152 152 GLU HG3 H 1 2.301 0.001 . 2 . . 1202 . A 139 GLU HG3 . 34608 1 1465 . 1 . 1 152 152 GLU CA C 13 60.322 0.015 . 1 . . 609 . A 139 GLU CA . 34608 1 1466 . 1 . 1 152 152 GLU CB C 13 28.890 0.043 . 1 . . 667 . A 139 GLU CB . 34608 1 1467 . 1 . 1 152 152 GLU CG C 13 36.988 0.074 . 1 . . 1199 . A 139 GLU CG . 34608 1 1468 . 1 . 1 152 152 GLU N N 15 118.207 . . 1 . . 61 . A 139 GLU N . 34608 1 1469 . 1 . 1 153 153 GLU H H 1 8.720 0.008 . 1 . . 41 . A 140 GLU H . 34608 1 1470 . 1 . 1 153 153 GLU HA H 1 3.966 0.006 . 1 . . 1543 . A 140 GLU HA . 34608 1 1471 . 1 . 1 153 153 GLU HB2 H 1 2.518 0.006 . 2 . . 1544 . A 140 GLU HB2 . 34608 1 1472 . 1 . 1 153 153 GLU HB3 H 1 2.158 0.005 . 2 . . 1676 . A 140 GLU HB3 . 34608 1 1473 . 1 . 1 153 153 GLU HG2 H 1 2.821 0.01 . 2 . . 1545 . A 140 GLU HG2 . 34608 1 1474 . 1 . 1 153 153 GLU HG3 H 1 2.388 0.004 . 2 . . 1678 . A 140 GLU HG3 . 34608 1 1475 . 1 . 1 153 153 GLU CA C 13 58.472 0.01 . 1 . . 620 . A 140 GLU CA . 34608 1 1476 . 1 . 1 153 153 GLU CB C 13 29.712 0.077 . 1 . . 1675 . A 140 GLU CB . 34608 1 1477 . 1 . 1 153 153 GLU CG C 13 37.020 0.022 . 1 . . 1677 . A 140 GLU CG . 34608 1 1478 . 1 . 1 153 153 GLU N N 15 119.550 . . 1 . . 42 . A 140 GLU N . 34608 1 1479 . 1 . 1 154 154 PHE H H 1 8.893 0.014 . 1 . . 64 . A 141 PHE H . 34608 1 1480 . 1 . 1 154 154 PHE HA H 1 3.913 0.009 . 1 . . 1679 . A 141 PHE HA . 34608 1 1481 . 1 . 1 154 154 PHE HB2 H 1 3.119 0.003 . 2 . . 1546 . A 141 PHE HB2 . 34608 1 1482 . 1 . 1 154 154 PHE HB3 H 1 3.318 0.006 . 2 . . 1547 . A 141 PHE HB3 . 34608 1 1483 . 1 . 1 154 154 PHE HD1 H 1 6.858 0.014 . 1 . . 1799 . A 141 PHE HD1 . 34608 1 1484 . 1 . 1 154 154 PHE HD2 H 1 6.858 0.014 . 1 . . 1799 . A 141 PHE HD2 . 34608 1 1485 . 1 . 1 154 154 PHE HE1 H 1 7.092 0.049 . 1 . . 1801 . A 141 PHE HE1 . 34608 1 1486 . 1 . 1 154 154 PHE HE2 H 1 7.092 0.049 . 1 . . 1801 . A 141 PHE HE2 . 34608 1 1487 . 1 . 1 154 154 PHE HZ H 1 6.890 . . 1 . . 2087 . A 141 PHE HZ . 34608 1 1488 . 1 . 1 154 154 PHE CA C 13 61.626 0.078 . 1 . . 1680 . A 141 PHE CA . 34608 1 1489 . 1 . 1 154 154 PHE CB C 13 39.883 0.056 . 1 . . 1681 . A 141 PHE CB . 34608 1 1490 . 1 . 1 154 154 PHE CD1 C 13 131.888 0.079 . 1 . . 1798 . A 141 PHE CD1 . 34608 1 1491 . 1 . 1 154 154 PHE CD2 C 13 131.888 0.079 . 1 . . 1798 . A 141 PHE CD2 . 34608 1 1492 . 1 . 1 154 154 PHE CE1 C 13 131.426 0.029 . 1 . . 1800 . A 141 PHE CE1 . 34608 1 1493 . 1 . 1 154 154 PHE CE2 C 13 131.426 0.029 . 1 . . 1800 . A 141 PHE CE2 . 34608 1 1494 . 1 . 1 154 154 PHE N N 15 124.513 . . 1 . . 65 . A 141 PHE N . 34608 1 1495 . 1 . 1 155 155 VAL H H 1 8.512 0.001 . 1 . . 1782 . A 142 VAL H . 34608 1 1496 . 1 . 1 155 155 VAL HA H 1 3.054 0.002 . 1 . . 1232 . A 142 VAL HA . 34608 1 1497 . 1 . 1 155 155 VAL HB H 1 1.811 0.028 . 1 . . 1236 . A 142 VAL HB . 34608 1 1498 . 1 . 1 155 155 VAL HG11 H 1 0.443 0.026 . 2 . . 1233 . A 142 VAL HG11 . 34608 1 1499 . 1 . 1 155 155 VAL HG12 H 1 0.443 0.026 . 2 . . 1233 . A 142 VAL HG12 . 34608 1 1500 . 1 . 1 155 155 VAL HG13 H 1 0.443 0.026 . 2 . . 1233 . A 142 VAL HG13 . 34608 1 1501 . 1 . 1 155 155 VAL HG21 H 1 0.671 0.001 . 2 . . 1234 . A 142 VAL HG21 . 34608 1 1502 . 1 . 1 155 155 VAL HG22 H 1 0.671 0.001 . 2 . . 1234 . A 142 VAL HG22 . 34608 1 1503 . 1 . 1 155 155 VAL HG23 H 1 0.671 0.001 . 2 . . 1234 . A 142 VAL HG23 . 34608 1 1504 . 1 . 1 155 155 VAL CA C 13 67.038 0.033 . 1 . . 1231 . A 142 VAL CA . 34608 1 1505 . 1 . 1 155 155 VAL CB C 13 31.543 0.025 . 1 . . 1235 . A 142 VAL CB . 34608 1 1506 . 1 . 1 155 155 VAL CG1 C 13 22.842 0.024 . 2 . . 1237 . A 142 VAL CG1 . 34608 1 1507 . 1 . 1 155 155 VAL CG2 C 13 21.237 0.018 . 2 . . 1230 . A 142 VAL CG2 . 34608 1 1508 . 1 . 1 156 156 GLN H H 1 7.350 0.015 . 1 . . 763 . A 143 GLN H . 34608 1 1509 . 1 . 1 156 156 GLN HA H 1 3.807 0.004 . 1 . . 2038 . A 143 GLN HA . 34608 1 1510 . 1 . 1 156 156 GLN HB2 H 1 2.060 0.006 . 1 . . 2040 . A 143 GLN HB2 . 34608 1 1511 . 1 . 1 156 156 GLN HB3 H 1 2.060 0.006 . 1 . . 2041 . A 143 GLN HB3 . 34608 1 1512 . 1 . 1 156 156 GLN HG2 H 1 2.345 0.003 . 1 . . 2043 . A 143 GLN HG2 . 34608 1 1513 . 1 . 1 156 156 GLN HG3 H 1 2.345 0.003 . 1 . . 2044 . A 143 GLN HG3 . 34608 1 1514 . 1 . 1 156 156 GLN HE21 H 1 7.395 0.003 . 1 . . 1914 . A 143 GLN HE21 . 34608 1 1515 . 1 . 1 156 156 GLN HE22 H 1 6.746 0.033 . 1 . . 1915 . A 143 GLN HE22 . 34608 1 1516 . 1 . 1 156 156 GLN CA C 13 58.800 0.048 . 1 . . 2039 . A 143 GLN CA . 34608 1 1517 . 1 . 1 156 156 GLN CB C 13 28.041 0.008 . 1 . . 2042 . A 143 GLN CB . 34608 1 1518 . 1 . 1 156 156 GLN CG C 13 33.894 0.02 . 1 . . 2045 . A 143 GLN CG . 34608 1 1519 . 1 . 1 156 156 GLN N N 15 117.904 . . 1 . . 764 . A 143 GLN N . 34608 1 1520 . 1 . 1 157 157 MET H H 1 7.832 0.002 . 1 . . 1832 . A 144 MET H . 34608 1 1521 . 1 . 1 157 157 MET HA H 1 4.032 0.003 . 1 . . 1826 . A 144 MET HA . 34608 1 1522 . 1 . 1 157 157 MET HB2 H 1 1.998 . . 1 . . 1713 . A 144 MET HB2 . 34608 1 1523 . 1 . 1 157 157 MET HG2 H 1 2.270 0.005 . 2 . . 1828 . A 144 MET HG2 . 34608 1 1524 . 1 . 1 157 157 MET HG3 H 1 2.458 0.005 . 2 . . 1829 . A 144 MET HG3 . 34608 1 1525 . 1 . 1 157 157 MET HE1 H 1 1.764 0.022 . 1 . . 1831 . A 144 MET HE1 . 34608 1 1526 . 1 . 1 157 157 MET HE2 H 1 1.764 0.022 . 1 . . 1831 . A 144 MET HE2 . 34608 1 1527 . 1 . 1 157 157 MET HE3 H 1 1.764 0.022 . 1 . . 1831 . A 144 MET HE3 . 34608 1 1528 . 1 . 1 157 157 MET CA C 13 58.212 0.002 . 1 . . 1825 . A 144 MET CA . 34608 1 1529 . 1 . 1 157 157 MET CG C 13 31.403 0.045 . 1 . . 1827 . A 144 MET CG . 34608 1 1530 . 1 . 1 157 157 MET CE C 13 17.132 0.015 . 1 . . 1830 . A 144 MET CE . 34608 1 1531 . 1 . 1 158 158 MET H H 1 7.823 0.007 . 1 . . 1741 . A 145 MET H . 34608 1 1532 . 1 . 1 158 158 MET HA H 1 4.224 0.004 . 1 . . 2046 . A 145 MET HA . 34608 1 1533 . 1 . 1 158 158 MET HE1 H 1 1.731 0.012 . 1 . . 1840 . A 145 MET HE1 . 34608 1 1534 . 1 . 1 158 158 MET HE2 H 1 1.731 0.012 . 1 . . 1840 . A 145 MET HE2 . 34608 1 1535 . 1 . 1 158 158 MET HE3 H 1 1.731 0.012 . 1 . . 1840 . A 145 MET HE3 . 34608 1 1536 . 1 . 1 158 158 MET CA C 13 55.329 0.032 . 1 . . 2047 . A 145 MET CA . 34608 1 1537 . 1 . 1 158 158 MET CE C 13 17.166 0.049 . 1 . . 1839 . A 145 MET CE . 34608 1 1538 . 1 . 1 158 158 MET N N 15 114.557 . . 1 . . 1742 . A 145 MET N . 34608 1 1539 . 1 . 1 159 159 THR H H 1 7.520 0.008 . 1 . . 1684 . A 146 THR H . 34608 1 1540 . 1 . 1 159 159 THR HA H 1 4.245 0.004 . 1 . . 1686 . A 146 THR HA . 34608 1 1541 . 1 . 1 159 159 THR HB H 1 4.179 0.001 . 1 . . 1688 . A 146 THR HB . 34608 1 1542 . 1 . 1 159 159 THR HG21 H 1 1.091 0.001 . 1 . . 1683 . A 146 THR HG21 . 34608 1 1543 . 1 . 1 159 159 THR HG22 H 1 1.091 0.001 . 1 . . 1683 . A 146 THR HG22 . 34608 1 1544 . 1 . 1 159 159 THR HG23 H 1 1.091 0.001 . 1 . . 1683 . A 146 THR HG23 . 34608 1 1545 . 1 . 1 159 159 THR CA C 13 62.288 0.032 . 1 . . 1687 . A 146 THR CA . 34608 1 1546 . 1 . 1 159 159 THR CB C 13 70.207 0.075 . 1 . . 1689 . A 146 THR CB . 34608 1 1547 . 1 . 1 159 159 THR CG2 C 13 21.299 0.05 . 1 . . 1682 . A 146 THR CG2 . 34608 1 1548 . 1 . 1 159 159 THR N N 15 110.648 . . 1 . . 1685 . A 146 THR N . 34608 1 1549 . 1 . 1 160 160 ALA H H 1 7.650 0.008 . 1 . . 1727 . A 147 ALA H . 34608 1 1550 . 1 . 1 160 160 ALA HA H 1 4.207 0.003 . 1 . . 1256 . A 147 ALA HA . 34608 1 1551 . 1 . 1 160 160 ALA HB1 H 1 1.320 0.001 . 1 . . 1257 . A 147 ALA HB1 . 34608 1 1552 . 1 . 1 160 160 ALA HB2 H 1 1.320 0.001 . 1 . . 1257 . A 147 ALA HB2 . 34608 1 1553 . 1 . 1 160 160 ALA HB3 H 1 1.320 0.001 . 1 . . 1257 . A 147 ALA HB3 . 34608 1 1554 . 1 . 1 160 160 ALA CA C 13 52.841 0.031 . 1 . . 610 . A 147 ALA CA . 34608 1 1555 . 1 . 1 160 160 ALA CB C 13 18.985 0.089 . 1 . . 1258 . A 147 ALA CB . 34608 1 1556 . 1 . 1 160 160 ALA N N 15 126.381 . . 1 . . 1726 . A 147 ALA N . 34608 1 1557 . 1 . 1 161 161 LYS H H 1 7.795 0.01 . 1 . . 9 . A 148 LYS H . 34608 1 1558 . 1 . 1 161 161 LYS HA H 1 4.050 0.003 . 1 . . 1205 . A 148 LYS HA . 34608 1 1559 . 1 . 1 161 161 LYS HB2 H 1 1.611 0.009 . 2 . . 1206 . A 148 LYS HB2 . 34608 1 1560 . 1 . 1 161 161 LYS HB3 H 1 1.742 0.003 . 2 . . 1207 . A 148 LYS HB3 . 34608 1 1561 . 1 . 1 161 161 LYS HG2 H 1 1.330 0.007 . 1 . . 1208 . A 148 LYS HG2 . 34608 1 1562 . 1 . 1 161 161 LYS HD2 H 1 1.593 0.009 . 1 . . 1211 . A 148 LYS HD2 . 34608 1 1563 . 1 . 1 161 161 LYS HE2 H 1 2.910 0.001 . 1 . . 1213 . A 148 LYS HE2 . 34608 1 1564 . 1 . 1 161 161 LYS CA C 13 57.618 0.02 . 1 . . 1204 . A 148 LYS CA . 34608 1 1565 . 1 . 1 161 161 LYS CB C 13 33.634 0.03 . 1 . . 1214 . A 148 LYS CB . 34608 1 1566 . 1 . 1 161 161 LYS CG C 13 24.745 0.021 . 1 . . 1209 . A 148 LYS CG . 34608 1 1567 . 1 . 1 161 161 LYS CD C 13 29.004 0.084 . 1 . . 1210 . A 148 LYS CD . 34608 1 1568 . 1 . 1 161 161 LYS CE C 13 42.061 0.009 . 1 . . 1212 . A 148 LYS CE . 34608 1 1569 . 1 . 1 161 161 LYS N N 15 125.586 . . 1 . . 254 . A 148 LYS N . 34608 1 1570 . 2 . 2 1 1 PRO HA H 1 4.290 0.007 . 1 . . 1430 . B 186 PRO HA . 34608 1 1571 . 2 . 2 1 1 PRO HB2 H 1 1.937 0.005 . 2 . . 1437 . B 186 PRO HB2 . 34608 1 1572 . 2 . 2 1 1 PRO HB3 H 1 2.337 0.005 . 2 . . 1435 . B 186 PRO HB3 . 34608 1 1573 . 2 . 2 1 1 PRO HG2 H 1 1.931 0.006 . 2 . . 1438 . B 186 PRO HG2 . 34608 1 1574 . 2 . 2 1 1 PRO HG3 H 1 1.931 0.006 . 2 . . 1465 . B 186 PRO HG3 . 34608 1 1575 . 2 . 2 1 1 PRO HD2 H 1 3.299 0.008 . 2 . . 1432 . B 186 PRO HD2 . 34608 1 1576 . 2 . 2 1 1 PRO HD3 H 1 3.262 0.006 . 2 . . 1434 . B 186 PRO HD3 . 34608 1 1577 . 2 . 2 1 1 PRO CA C 13 62.377 0.001 . 1 . . 1431 . B 186 PRO CA . 34608 1 1578 . 2 . 2 1 1 PRO CB C 13 32.347 0.009 . 1 . . 1436 . B 186 PRO CB . 34608 1 1579 . 2 . 2 1 1 PRO CG C 13 26.506 0.008 . 1 . . 1439 . B 186 PRO CG . 34608 1 1580 . 2 . 2 1 1 PRO CD C 13 49.289 0.01 . 1 . . 1433 . B 186 PRO CD . 34608 1 1581 . 2 . 2 2 2 ASN HA H 1 4.628 0.005 . 1 . . 1428 . B 187 ASN HA . 34608 1 1582 . 2 . 2 2 2 ASN HB2 H 1 2.741 0.04 . 2 . . 1425 . B 187 ASN HB2 . 34608 1 1583 . 2 . 2 2 2 ASN HB3 H 1 2.726 0.03 . 2 . . 1427 . B 187 ASN HB3 . 34608 1 1584 . 2 . 2 2 2 ASN CA C 13 53.547 0.017 . 1 . . 1429 . B 187 ASN CA . 34608 1 1585 . 2 . 2 2 2 ASN CB C 13 38.881 0.028 . 1 . . 1426 . B 187 ASN CB . 34608 1 1586 . 2 . 2 3 3 GLY H H 1 8.351 . . 1 . . 2335 . B 188 GLY H . 34608 1 1587 . 2 . 2 3 3 GLY HA2 H 1 3.835 0.014 . 2 . . 1396 . B 188 GLY HA2 . 34608 1 1588 . 2 . 2 3 3 GLY HA3 H 1 3.829 0.004 . 2 . . 1466 . B 188 GLY HA3 . 34608 1 1589 . 2 . 2 3 3 GLY CA C 13 45.383 0.044 . 1 . . 1397 . B 188 GLY CA . 34608 1 1590 . 2 . 2 3 3 GLY N N 15 113.213 . . 1 . . 2336 . B 188 GLY N . 34608 1 1591 . 2 . 2 4 4 LYS H H 1 8.183 0.001 . 1 . . 2247 . B 189 LYS H . 34608 1 1592 . 2 . 2 4 4 LYS CA C 13 56.504 . . 1 . . 2370 . B 189 LYS CA . 34608 1 1593 . 2 . 2 4 4 LYS N N 15 120.507 0.006 . 1 . . 2248 . B 189 LYS N . 34608 1 1594 . 2 . 2 5 5 LYS H H 1 8.167 0.0 . 1 . . 2354 . B 190 LYS H . 34608 1 1595 . 2 . 2 5 5 LYS N N 15 122.101 0.002 . 1 . . 2355 . B 190 LYS N . 34608 1 1596 . 2 . 2 6 6 LYS H H 1 8.273 0.023 . 1 . . 2142 . B 191 LYS H . 34608 1 1597 . 2 . 2 6 6 LYS HA H 1 4.175 0.004 . 1 . . 2141 . B 191 LYS HA . 34608 1 1598 . 2 . 2 6 6 LYS HB2 H 1 1.623 0.014 . 2 . . 2136 . B 191 LYS HB2 . 34608 1 1599 . 2 . 2 6 6 LYS HB3 H 1 1.692 0.004 . 2 . . 2138 . B 191 LYS HB3 . 34608 1 1600 . 2 . 2 6 6 LYS HG2 H 1 1.302 0.014 . 2 . . 2134 . B 191 LYS HG2 . 34608 1 1601 . 2 . 2 6 6 LYS HG3 H 1 1.339 0.011 . 2 . . 2135 . B 191 LYS HG3 . 34608 1 1602 . 2 . 2 6 6 LYS HE2 H 1 2.878 0.008 . 1 . . 2139 . B 191 LYS HE2 . 34608 1 1603 . 2 . 2 6 6 LYS CA C 13 56.271 0.007 . 1 . . 2383 . B 191 LYS CA . 34608 1 1604 . 2 . 2 6 6 LYS CB C 13 33.000 0.021 . 1 . . 2137 . B 191 LYS CB . 34608 1 1605 . 2 . 2 6 6 LYS CG C 13 24.815 0.03 . 1 . . 2140 . B 191 LYS CG . 34608 1 1606 . 2 . 2 6 6 LYS N N 15 123.092 0.008 . 1 . . 2343 . B 191 LYS N . 34608 1 1607 . 2 . 2 7 7 ARG H H 1 8.319 0.009 . 1 . . 2362 . B 192 ARG H . 34608 1 1608 . 2 . 2 7 7 ARG HA H 1 4.189 0.006 . 1 . . 2377 . B 192 ARG HA . 34608 1 1609 . 2 . 2 7 7 ARG HB2 H 1 1.652 0.012 . 2 . . 2380 . B 192 ARG HB2 . 34608 1 1610 . 2 . 2 7 7 ARG HB3 H 1 1.697 0.011 . 2 . . 2382 . B 192 ARG HB3 . 34608 1 1611 . 2 . 2 7 7 ARG HG2 H 1 1.487 0.002 . 2 . . 2389 . B 192 ARG HG2 . 34608 1 1612 . 2 . 2 7 7 ARG HG3 H 1 1.529 0.004 . 2 . . 2391 . B 192 ARG HG3 . 34608 1 1613 . 2 . 2 7 7 ARG HD2 H 1 3.065 0.005 . 1 . . 2074 . B 192 ARG HD2 . 34608 1 1614 . 2 . 2 7 7 ARG CA C 13 56.117 0.001 . 1 . . 2378 . B 192 ARG CA . 34608 1 1615 . 2 . 2 7 7 ARG CB C 13 31.006 0.036 . 1 . . 2381 . B 192 ARG CB . 34608 1 1616 . 2 . 2 7 7 ARG CG C 13 27.184 0.019 . 1 . . 2390 . B 192 ARG CG . 34608 1 1617 . 2 . 2 7 7 ARG CD C 13 43.409 0.039 . 1 . . 2075 . B 192 ARG CD . 34608 1 1618 . 2 . 2 7 7 ARG N N 15 123.030 . . 1 . . 2363 . B 192 ARG N . 34608 1 1619 . 2 . 2 8 8 LYS H H 1 8.370 0.021 . 1 . . 2337 . B 193 LYS H . 34608 1 1620 . 2 . 2 8 8 LYS HA H 1 4.196 0.011 . 1 . . 2405 . B 193 LYS HA . 34608 1 1621 . 2 . 2 8 8 LYS HB2 H 1 1.614 0.004 . 1 . . 2412 . B 193 LYS HB2 . 34608 1 1622 . 2 . 2 8 8 LYS HG2 H 1 1.344 0.005 . 2 . . 2375 . B 193 LYS HG2 . 34608 1 1623 . 2 . 2 8 8 LYS HG3 H 1 1.367 . . 2 . . 2401 . B 193 LYS HG3 . 34608 1 1624 . 2 . 2 8 8 LYS HD2 H 1 1.505 0.004 . 1 . . 2403 . B 193 LYS HD2 . 34608 1 1625 . 2 . 2 8 8 LYS HE2 H 1 2.813 0.013 . 2 . . 2407 . B 193 LYS HE2 . 34608 1 1626 . 2 . 2 8 8 LYS HE3 H 1 2.838 0.006 . 2 . . 2408 . B 193 LYS HE3 . 34608 1 1627 . 2 . 2 8 8 LYS CA C 13 56.312 . . 1 . . 2413 . B 193 LYS CA . 34608 1 1628 . 2 . 2 8 8 LYS CB C 13 33.711 0.036 . 1 . . 2411 . B 193 LYS CB . 34608 1 1629 . 2 . 2 8 8 LYS CG C 13 25.249 0.003 . 1 . . 1482 . B 193 LYS CG . 34608 1 1630 . 2 . 2 8 8 LYS CD C 13 29.476 0.029 . 1 . . 2404 . B 193 LYS CD . 34608 1 1631 . 2 . 2 8 8 LYS CE C 13 41.906 0.021 . 1 . . 2409 . B 193 LYS CE . 34608 1 1632 . 2 . 2 8 8 LYS N N 15 123.191 0.009 . 1 . . 2338 . B 193 LYS N . 34608 1 1633 . 2 . 2 9 9 SER HA H 1 4.321 0.012 . 1 . . 1415 . B 194 SER HA . 34608 1 1634 . 2 . 2 9 9 SER HB2 H 1 3.834 0.004 . 2 . . 1414 . B 194 SER HB2 . 34608 1 1635 . 2 . 2 9 9 SER HB3 H 1 4.094 0.008 . 2 . . 1412 . B 194 SER HB3 . 34608 1 1636 . 2 . 2 9 9 SER CA C 13 58.056 0.022 . 1 . . 1416 . B 194 SER CA . 34608 1 1637 . 2 . 2 9 9 SER CB C 13 64.195 0.041 . 1 . . 1413 . B 194 SER CB . 34608 1 1638 . 2 . 2 10 10 LEU HA H 1 3.952 0.017 . 1 . . 1402 . B 195 LEU HA . 34608 1 1639 . 2 . 2 10 10 LEU HB2 H 1 1.614 0.005 . 1 . . 1406 . B 195 LEU HB2 . 34608 1 1640 . 2 . 2 10 10 LEU HB3 H 1 1.614 0.005 . 1 . . 1491 . B 195 LEU HB3 . 34608 1 1641 . 2 . 2 10 10 LEU HG H 1 1.515 0.005 . 1 . . 1404 . B 195 LEU HG . 34608 1 1642 . 2 . 2 10 10 LEU HD11 H 1 0.716 0.004 . 2 . . 1906 . B 195 LEU HD11 . 34608 1 1643 . 2 . 2 10 10 LEU HD12 H 1 0.716 0.004 . 2 . . 1906 . B 195 LEU HD12 . 34608 1 1644 . 2 . 2 10 10 LEU HD13 H 1 0.716 0.004 . 2 . . 1906 . B 195 LEU HD13 . 34608 1 1645 . 2 . 2 10 10 LEU HD21 H 1 0.838 0.006 . 2 . . 1908 . B 195 LEU HD21 . 34608 1 1646 . 2 . 2 10 10 LEU HD22 H 1 0.838 0.006 . 2 . . 1908 . B 195 LEU HD22 . 34608 1 1647 . 2 . 2 10 10 LEU HD23 H 1 0.838 0.006 . 2 . . 1908 . B 195 LEU HD23 . 34608 1 1648 . 2 . 2 10 10 LEU CA C 13 57.926 0.048 . 1 . . 1403 . B 195 LEU CA . 34608 1 1649 . 2 . 2 10 10 LEU CB C 13 41.568 0.007 . 1 . . 1407 . B 195 LEU CB . 34608 1 1650 . 2 . 2 10 10 LEU CG C 13 27.080 0.007 . 1 . . 1405 . B 195 LEU CG . 34608 1 1651 . 2 . 2 10 10 LEU CD1 C 13 24.921 0.027 . 2 . . 1905 . B 195 LEU CD1 . 34608 1 1652 . 2 . 2 10 10 LEU CD2 C 13 23.987 0.032 . 2 . . 1907 . B 195 LEU CD2 . 34608 1 1653 . 2 . 2 11 11 ALA HA H 1 3.817 0.005 . 1 . . 1408 . B 196 ALA HA . 34608 1 1654 . 2 . 2 11 11 ALA HB1 H 1 1.249 0.011 . 1 . . 1410 . B 196 ALA HB1 . 34608 1 1655 . 2 . 2 11 11 ALA HB2 H 1 1.249 0.011 . 1 . . 1410 . B 196 ALA HB2 . 34608 1 1656 . 2 . 2 11 11 ALA HB3 H 1 1.249 0.011 . 1 . . 1410 . B 196 ALA HB3 . 34608 1 1657 . 2 . 2 11 11 ALA CA C 13 55.107 0.054 . 1 . . 1409 . B 196 ALA CA . 34608 1 1658 . 2 . 2 11 11 ALA CB C 13 18.819 0.025 . 1 . . 1411 . B 196 ALA CB . 34608 1 1659 . 2 . 2 12 12 LYS H H 1 7.532 0.012 . 1 . . 2376 . B 197 LYS H . 34608 1 1660 . 2 . 2 12 12 LYS HA H 1 3.869 0.009 . 1 . . 1440 . B 197 LYS HA . 34608 1 1661 . 2 . 2 12 12 LYS HB2 H 1 1.735 0.008 . 1 . . 1442 . B 197 LYS HB2 . 34608 1 1662 . 2 . 2 12 12 LYS HG2 H 1 1.370 0.005 . 2 . . 1444 . B 197 LYS HG2 . 34608 1 1663 . 2 . 2 12 12 LYS HG3 H 1 1.278 0.01 . 2 . . 1446 . B 197 LYS HG3 . 34608 1 1664 . 2 . 2 12 12 LYS HD2 H 1 1.597 0.009 . 1 . . 1447 . B 197 LYS HD2 . 34608 1 1665 . 2 . 2 12 12 LYS HE2 H 1 2.888 0.004 . 1 . . 1449 . B 197 LYS HE2 . 34608 1 1666 . 2 . 2 12 12 LYS CA C 13 58.673 0.033 . 1 . . 1441 . B 197 LYS CA . 34608 1 1667 . 2 . 2 12 12 LYS CB C 13 32.584 0.092 . 1 . . 1443 . B 197 LYS CB . 34608 1 1668 . 2 . 2 12 12 LYS CG C 13 25.315 0.051 . 1 . . 1445 . B 197 LYS CG . 34608 1 1669 . 2 . 2 12 12 LYS CD C 13 29.202 . . 1 . . 1448 . B 197 LYS CD . 34608 1 1670 . 2 . 2 12 12 LYS CE C 13 42.034 0.064 . 1 . . 1450 . B 197 LYS CE . 34608 1 1671 . 2 . 2 13 13 ARG H H 1 8.000 0.009 . 1 . . 2399 . B 198 ARG H . 34608 1 1672 . 2 . 2 13 13 ARG HA H 1 4.069 0.009 . 1 . . 2392 . B 198 ARG HA . 34608 1 1673 . 2 . 2 13 13 ARG HB2 H 1 1.765 0.012 . 2 . . 2394 . B 198 ARG HB2 . 34608 1 1674 . 2 . 2 13 13 ARG HB3 H 1 1.818 0.002 . 2 . . 2396 . B 198 ARG HB3 . 34608 1 1675 . 2 . 2 13 13 ARG HG2 H 1 1.669 0.001 . 2 . . 2384 . B 198 ARG HG2 . 34608 1 1676 . 2 . 2 13 13 ARG HG3 H 1 1.521 0.004 . 2 . . 2386 . B 198 ARG HG3 . 34608 1 1677 . 2 . 2 13 13 ARG HD2 H 1 3.111 0.019 . 1 . . 2076 . B 198 ARG HD2 . 34608 1 1678 . 2 . 2 13 13 ARG CA C 13 57.768 0.095 . 1 . . 2393 . B 198 ARG CA . 34608 1 1679 . 2 . 2 13 13 ARG CB C 13 30.751 0.042 . 1 . . 2395 . B 198 ARG CB . 34608 1 1680 . 2 . 2 13 13 ARG CG C 13 28.013 0.044 . 1 . . 2385 . B 198 ARG CG . 34608 1 1681 . 2 . 2 13 13 ARG CD C 13 43.365 0.034 . 1 . . 2143 . B 198 ARG CD . 34608 1 1682 . 2 . 2 14 14 ILE H H 1 7.922 0.005 . 1 . . 2397 . B 199 ILE H . 34608 1 1683 . 2 . 2 14 14 ILE HA H 1 3.802 0.014 . 1 . . 1394 . B 199 ILE HA . 34608 1 1684 . 2 . 2 14 14 ILE HB H 1 1.801 0.017 . 1 . . 1392 . B 199 ILE HB . 34608 1 1685 . 2 . 2 14 14 ILE HG12 H 1 1.088 0.015 . 2 . . 1389 . B 199 ILE HG12 . 34608 1 1686 . 2 . 2 14 14 ILE HG13 H 1 1.570 0.007 . 2 . . 1391 . B 199 ILE HG13 . 34608 1 1687 . 2 . 2 14 14 ILE HG21 H 1 0.798 0.008 . 1 . . 1387 . B 199 ILE HG21 . 34608 1 1688 . 2 . 2 14 14 ILE HG22 H 1 0.798 0.008 . 1 . . 1387 . B 199 ILE HG22 . 34608 1 1689 . 2 . 2 14 14 ILE HG23 H 1 0.798 0.008 . 1 . . 1387 . B 199 ILE HG23 . 34608 1 1690 . 2 . 2 14 14 ILE HD11 H 1 0.705 0.006 . 1 . . 1385 . B 199 ILE HD11 . 34608 1 1691 . 2 . 2 14 14 ILE HD12 H 1 0.705 0.006 . 1 . . 1385 . B 199 ILE HD12 . 34608 1 1692 . 2 . 2 14 14 ILE HD13 H 1 0.705 0.006 . 1 . . 1385 . B 199 ILE HD13 . 34608 1 1693 . 2 . 2 14 14 ILE CA C 13 63.685 0.19 . 1 . . 1395 . B 199 ILE CA . 34608 1 1694 . 2 . 2 14 14 ILE CB C 13 38.045 0.031 . 1 . . 1393 . B 199 ILE CB . 34608 1 1695 . 2 . 2 14 14 ILE CG1 C 13 28.582 0.057 . 1 . . 1390 . B 199 ILE CG1 . 34608 1 1696 . 2 . 2 14 14 ILE CG2 C 13 17.729 0.062 . 1 . . 1388 . B 199 ILE CG2 . 34608 1 1697 . 2 . 2 14 14 ILE CD1 C 13 13.888 0.038 . 1 . . 1386 . B 199 ILE CD1 . 34608 1 1698 . 2 . 2 15 15 ARG HA H 1 4.244 0.001 . 1 . . 2420 . B 200 ARG HA . 34608 1 1699 . 2 . 2 15 15 ARG HB2 H 1 1.779 0.003 . 1 . . 2424 . B 200 ARG HB2 . 34608 1 1700 . 2 . 2 15 15 ARG HG2 H 1 1.571 0.0 . 1 . . 2422 . B 200 ARG HG2 . 34608 1 1701 . 2 . 2 15 15 ARG HD2 H 1 3.090 0.011 . 1 . . 2124 . B 200 ARG HD2 . 34608 1 1702 . 2 . 2 15 15 ARG CA C 13 56.129 0.041 . 1 . . 2421 . B 200 ARG CA . 34608 1 1703 . 2 . 2 15 15 ARG CB C 13 30.844 0.041 . 1 . . 2425 . B 200 ARG CB . 34608 1 1704 . 2 . 2 15 15 ARG CG C 13 27.200 0.002 . 1 . . 2423 . B 200 ARG CG . 34608 1 1705 . 2 . 2 15 15 ARG CD C 13 43.324 0.007 . 1 . . 2125 . B 200 ARG CD . 34608 1 1706 . 2 . 2 16 16 GLU H H 1 7.879 0.015 . 1 . . 2379 . B 201 GLU H . 34608 1 1707 . 2 . 2 16 16 GLU HA H 1 4.168 0.014 . 1 . . 1423 . B 201 GLU HA . 34608 1 1708 . 2 . 2 16 16 GLU HB2 H 1 1.959 0.032 . 2 . . 1422 . B 201 GLU HB2 . 34608 1 1709 . 2 . 2 16 16 GLU HB3 H 1 1.933 0.029 . 2 . . 1420 . B 201 GLU HB3 . 34608 1 1710 . 2 . 2 16 16 GLU HG2 H 1 2.293 0.008 . 2 . . 1417 . B 201 GLU HG2 . 34608 1 1711 . 2 . 2 16 16 GLU HG3 H 1 2.150 0.005 . 2 . . 1419 . B 201 GLU HG3 . 34608 1 1712 . 2 . 2 16 16 GLU CA C 13 56.747 0.086 . 1 . . 1424 . B 201 GLU CA . 34608 1 1713 . 2 . 2 16 16 GLU CB C 13 30.056 0.04 . 1 . . 1421 . B 201 GLU CB . 34608 1 1714 . 2 . 2 16 16 GLU CG C 13 36.457 0.055 . 1 . . 1418 . B 201 GLU CG . 34608 1 1715 . 2 . 2 17 17 ARG H H 1 8.041 . . 1 . . 2426 . B 202 ARG H . 34608 1 1716 . 2 . 2 17 17 ARG HA H 1 4.240 0.005 . 1 . . 2415 . B 202 ARG HA . 34608 1 1717 . 2 . 2 17 17 ARG HB2 H 1 1.840 0.005 . 1 . . 2417 . B 202 ARG HB2 . 34608 1 1718 . 2 . 2 17 17 ARG HG2 H 1 1.585 0.003 . 1 . . 2387 . B 202 ARG HG2 . 34608 1 1719 . 2 . 2 17 17 ARG HD2 H 1 3.117 0.01 . 1 . . 2414 . B 202 ARG HD2 . 34608 1 1720 . 2 . 2 17 17 ARG CA C 13 56.257 0.034 . 1 . . 2416 . B 202 ARG CA . 34608 1 1721 . 2 . 2 17 17 ARG CB C 13 30.855 0.006 . 1 . . 2418 . B 202 ARG CB . 34608 1 1722 . 2 . 2 17 17 ARG CG C 13 27.166 0.041 . 1 . . 2388 . B 202 ARG CG . 34608 1 1723 . 2 . 2 17 17 ARG CD C 13 43.320 0.002 . 1 . . 2419 . B 202 ARG CD . 34608 1 1724 . 2 . 2 18 18 CYS HA H 1 4.299 0.01 . 1 . . 1463 . B 203 CYS HA . 34608 1 1725 . 2 . 2 18 18 CYS HB2 H 1 2.945 0.006 . 2 . . 1462 . B 203 CYS HB2 . 34608 1 1726 . 2 . 2 18 18 CYS HB3 H 1 3.168 0.011 . 2 . . 1490 . B 203 CYS HB3 . 34608 1 1727 . 2 . 2 18 18 CYS CA C 13 56.865 0.045 . 1 . . 1464 . B 203 CYS CA . 34608 1 1728 . 2 . 2 18 18 CYS CB C 13 42.849 0.054 . 1 . . 1461 . B 203 CYS CB . 34608 1 1729 . 7 . 4 1 1 ULW H21 H 1 5.208 0.027 . 1 . . 1503 . B 301 ULW H21 . 34608 1 1730 . 7 . 4 1 1 ULW H153 H 1 0.761 0.028 . 1 . . 1504 . B 301 ULW H153 . 34608 1 1731 . 7 . 4 1 1 ULW H151 H 1 0.761 0.028 . 1 . . 1504 . B 301 ULW H151 . 34608 1 1732 . 7 . 4 1 1 ULW H152 H 1 0.761 0.028 . 1 . . 1504 . B 301 ULW H152 . 34608 1 1733 . 7 . 4 1 1 ULW H142 H 1 1.186 0.027 . 1 . . 1505 . B 301 ULW H142 . 34608 1 1734 . 7 . 4 1 1 ULW H143 H 1 1.186 0.027 . 1 . . 1505 . B 301 ULW H143 . 34608 1 1735 . 7 . 4 1 1 ULW H141 H 1 1.186 0.027 . 1 . . 1505 . B 301 ULW H141 . 34608 1 1736 . 7 . 4 1 1 ULW H102 H 1 1.484 0.032 . 1 . . 1506 . B 301 ULW H102 . 34608 1 1737 . 7 . 4 1 1 ULW H103 H 1 1.484 0.032 . 1 . . 1506 . B 301 ULW H103 . 34608 1 1738 . 7 . 4 1 1 ULW H101 H 1 1.484 0.032 . 1 . . 1506 . B 301 ULW H101 . 34608 1 1739 . 7 . 4 1 1 ULW H7 H 1 4.995 0.007 . 1 . . 1507 . B 301 ULW H7 . 34608 1 1740 . 7 . 4 1 1 ULW H61 H 1 2.018 0.009 . 1 . . 1508 . B 301 ULW H61 . 34608 1 1741 . 7 . 4 1 1 ULW H51 H 1 1.927 0.01 . 1 . . 1509 . B 301 ULW H51 . 34608 1 1742 . 7 . 4 1 1 ULW H111 H 1 1.840 0.016 . 1 . . 1510 . B 301 ULW H111 . 34608 1 1743 . 7 . 4 1 1 ULW H42 H 1 1.604 0.031 . 1 . . 1511 . B 301 ULW H42 . 34608 1 1744 . 7 . 4 1 1 ULW H43 H 1 1.604 0.031 . 1 . . 1511 . B 301 ULW H43 . 34608 1 1745 . 7 . 4 1 1 ULW H41 H 1 1.604 0.031 . 1 . . 1511 . B 301 ULW H41 . 34608 1 1746 . 7 . 4 1 1 ULW H91 H 1 1.532 0.026 . 1 . . 1512 . B 301 ULW H91 . 34608 1 1747 . 7 . 4 1 1 ULW H11 H 1 4.423 0.03 . 1 . . 1516 . B 301 ULW H11 . 34608 1 1748 . 7 . 4 1 1 ULW H12 H 1 4.423 0.03 . 1 . . 1517 . B 301 ULW H12 . 34608 1 1749 . 7 . 4 1 1 ULW H171 H 1 2.506 0.017 . 1 . . 1520 . B 301 ULW H171 . 34608 1 1750 . 7 . 4 1 1 ULW H121 H 1 4.912 . . 1 . . 1521 . B 301 ULW H121 . 34608 1 1751 . 7 . 4 1 1 ULW H172 H 1 2.506 0.017 . 1 . . 1522 . B 301 ULW H172 . 34608 1 stop_ save_