data_11454 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 11454 _Entry.Title ; NMR Chemical Shift Assignments for QB domain of Sp1 ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2011-09-26 _Entry.Accession_date 2011-09-27 _Entry.Last_release_date 2012-12-06 _Entry.Original_release_date 2012-12-06 _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version 3.1.1.15 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype solution _Entry.Details . _Entry.BMRB_internal_directory_name . loop_ _Entry_author.Ordinal _Entry_author.Given_name _Entry_author.Family_name _Entry_author.First_initial _Entry_author.Middle_initials _Entry_author.Family_title _Entry_author.Entry_ID 1 Naoko Hiramatsu . . . 11454 2 Emi Hibino . . . 11454 3 Katsumi Matsuzaki . . . 11454 4 Jun Kuwahara . . . 11454 5 Masaru Hoshino . . . 11454 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 11454 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 304 11454 '15N chemical shifts' 143 11454 '1H chemical shifts' 143 11454 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 . . 2012-12-06 2011-09-26 original author . 11454 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 11454 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 22855260 _Citation.Full_citation . _Citation.Title ; Interaction between isolated transcriptional activation domains of Sp1 revealed by heteronuclear magnetic resonance ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'Protein Sci.' _Citation.Journal_name_full 'Protein Science' _Citation.Journal_volume 21 _Citation.Journal_issue 10 _Citation.Journal_ASTM . _Citation.Journal_ISSN . _Citation.Journal_CSD . _Citation.Book_title . _Citation.Book_chapter_title . _Citation.Book_volume . _Citation.Book_series . _Citation.Book_publisher . _Citation.Book_publisher_city . _Citation.Book_ISBN . _Citation.Conference_title . _Citation.Conference_site . _Citation.Conference_state_province . _Citation.Conference_country . _Citation.Conference_start_date . _Citation.Conference_end_date . _Citation.Conference_abstract_number . _Citation.Thesis_institution . _Citation.Thesis_institution_city . _Citation.Thesis_institution_country . _Citation.WWW_URL . _Citation.Page_first 1481 _Citation.Page_last 1488 _Citation.Year 2012 _Citation.Details . loop_ _Citation_author.Ordinal _Citation_author.Given_name _Citation_author.Family_name _Citation_author.First_initial _Citation_author.Middle_initials _Citation_author.Family_title _Citation_author.Entry_ID _Citation_author.Citation_ID 1 Naoko Hiramatsu . . . 11454 1 2 Emi Hibino . . . 11454 1 3 Katsumi Matsuzaki . . . 11454 1 4 Jun Kuwahara . . . 11454 1 5 Masaru Hoshino . . . 11454 1 stop_ loop_ _Citation_keyword.Keyword _Citation_keyword.Entry_ID _Citation_keyword.Citation_ID 'glutamine-rich domain' 11454 1 'intrinsically disordered protein' 11454 1 'molecular interaction' 11454 1 'transcription factor' 11454 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 11454 _Assembly.ID 1 _Assembly.Name 'QB domain of Sp1' _Assembly.BMRB_code . _Assembly.Number_of_components 1 _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds no _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 'QB domain of Sp1' 1 $QB_domain_of_Sp1 A . yes 'intrinsically disordered' no no . . . 11454 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_QB_domain_of_Sp1 _Entity.Sf_category entity _Entity.Sf_framecode QB_domain_of_Sp1 _Entity.Entry_ID 11454 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name 'QB domain of Sp1' _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID . _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; GILTNSQGQTPQRVSGLQGS DALNIQQNQTSGGSLQAGQQ KEGEQNQQTQQQQILIQPQL VQGGQALQALQAAPLSGQTF TTQAISQETLQNLQLQAVPN SGPIIIRTPTVGPNGQVSWQ TLQLQNLQVQNPQAQTITLA PMQGVSLGQTPGGTLEDYKD DDDKGSHHHHHH ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states no _Entity.Ambiguous_chem_comp_sites no _Entity.Nstd_monomer no _Entity.Nstd_chirality no _Entity.Nstd_linkage no _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 172 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'not present' _Entity.Src_method . _Entity.Parent_entity_ID . _Entity.Fragment 'glutamine-rich domain' _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight . _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date 2015-11-26 loop_ _Entity_db_link.Ordinal _Entity_db_link.Author_supplied _Entity_db_link.Database_code _Entity_db_link.Accession_code _Entity_db_link.Entry_mol_code _Entity_db_link.Entry_mol_name _Entity_db_link.Entry_experimental_method _Entity_db_link.Entry_structure_resolution _Entity_db_link.Entry_relation_type _Entity_db_link.Entry_details _Entity_db_link.Chimera_segment_ID _Entity_db_link.Seq_query_to_submitted_percent _Entity_db_link.Seq_subject_length _Entity_db_link.Seq_identity _Entity_db_link.Seq_positive _Entity_db_link.Seq_homology_expectation_val _Entity_db_link.Seq_align_begin _Entity_db_link.Seq_align_end _Entity_db_link.Seq_difference_details _Entity_db_link.Seq_alignment_details _Entity_db_link.Entry_ID _Entity_db_link.Entity_ID 1 no DBJ BAB13476 . "transcription factor Sp1 [Homo sapiens]" . . . . . 85.47 558 100.00 100.00 4.11e-85 . . . . 11454 1 2 no DBJ BAD92915 . "Sp1 transcription factor variant [Homo sapiens]" . . . . . 85.47 563 99.32 100.00 1.13e-84 . . . . 11454 1 3 no DBJ BAI46444 . "Sp1 transcription factor [synthetic construct]" . . . . . 85.47 785 100.00 100.00 2.88e-83 . . . . 11454 1 4 no EMBL CBM42955 . "transcription factor Sp1 [Homo sapiens]" . . . . . 85.47 737 100.00 100.00 1.42e-83 . . . . 11454 1 5 no GB AAA61154 . "transcription factor Sp-1, partial [Homo sapiens]" . . . . . 85.47 696 100.00 100.00 1.04e-83 . . . . 11454 1 6 no GB AAF67726 . "transcription specificity factor Sp1 [Homo sapiens]" . . . . . 85.47 782 100.00 100.00 3.01e-83 . . . . 11454 1 7 no GB AAH43224 . "SP1 protein, partial [Homo sapiens]" . . . . . 85.47 798 100.00 100.00 4.43e-83 . . . . 11454 1 8 no GB AAH62539 . "Sp1 transcription factor [Homo sapiens]" . . . . . 85.47 785 100.00 100.00 2.88e-83 . . . . 11454 1 9 no GB ADL59934 . "SP1 transcription factor [Capra hircus]" . . . . . 86.05 786 97.30 97.30 3.54e-79 . . . . 11454 1 10 no REF NP_001238754 . "transcription factor Sp1 isoform c [Homo sapiens]" . . . . . 85.47 737 100.00 100.00 1.42e-83 . . . . 11454 1 11 no REF NP_001253853 . "transcription factor Sp1 [Macaca mulatta]" . . . . . 85.47 786 100.00 100.00 2.23e-83 . . . . 11454 1 12 no REF NP_001272689 . "transcription factor Sp1 [Capra hircus]" . . . . . 86.05 786 97.30 97.30 3.54e-79 . . . . 11454 1 13 no REF NP_003100 . "transcription factor Sp1 isoform b [Homo sapiens]" . . . . . 85.47 778 100.00 100.00 2.46e-83 . . . . 11454 1 14 no REF NP_612482 . "transcription factor Sp1 isoform a [Homo sapiens]" . . . . . 85.47 785 100.00 100.00 2.88e-83 . . . . 11454 1 15 no SP P08047 . "RecName: Full=Transcription factor Sp1" . . . . . 85.47 785 100.00 100.00 2.88e-83 . . . . 11454 1 stop_ loop_ _Entity_comp_index.ID _Entity_comp_index.Auth_seq_ID _Entity_comp_index.Comp_ID _Entity_comp_index.Comp_label _Entity_comp_index.Entry_ID _Entity_comp_index.Entity_ID 1 -2 GLY . 11454 1 2 -1 ILE . 11454 1 3 0 LEU . 11454 1 4 1 THR . 11454 1 5 2 ASN . 11454 1 6 3 SER . 11454 1 7 4 GLN . 11454 1 8 5 GLY . 11454 1 9 6 GLN . 11454 1 10 7 THR . 11454 1 11 8 PRO . 11454 1 12 9 GLN . 11454 1 13 10 ARG . 11454 1 14 11 VAL . 11454 1 15 12 SER . 11454 1 16 13 GLY . 11454 1 17 14 LEU . 11454 1 18 15 GLN . 11454 1 19 16 GLY . 11454 1 20 17 SER . 11454 1 21 18 ASP . 11454 1 22 19 ALA . 11454 1 23 20 LEU . 11454 1 24 21 ASN . 11454 1 25 22 ILE . 11454 1 26 23 GLN . 11454 1 27 24 GLN . 11454 1 28 25 ASN . 11454 1 29 26 GLN . 11454 1 30 27 THR . 11454 1 31 28 SER . 11454 1 32 29 GLY . 11454 1 33 30 GLY . 11454 1 34 31 SER . 11454 1 35 32 LEU . 11454 1 36 33 GLN . 11454 1 37 34 ALA . 11454 1 38 35 GLY . 11454 1 39 36 GLN . 11454 1 40 37 GLN . 11454 1 41 38 LYS . 11454 1 42 39 GLU . 11454 1 43 40 GLY . 11454 1 44 41 GLU . 11454 1 45 42 GLN . 11454 1 46 43 ASN . 11454 1 47 44 GLN . 11454 1 48 45 GLN . 11454 1 49 46 THR . 11454 1 50 47 GLN . 11454 1 51 48 GLN . 11454 1 52 49 GLN . 11454 1 53 50 GLN . 11454 1 54 51 ILE . 11454 1 55 52 LEU . 11454 1 56 53 ILE . 11454 1 57 54 GLN . 11454 1 58 55 PRO . 11454 1 59 56 GLN . 11454 1 60 57 LEU . 11454 1 61 58 VAL . 11454 1 62 59 GLN . 11454 1 63 60 GLY . 11454 1 64 61 GLY . 11454 1 65 62 GLN . 11454 1 66 63 ALA . 11454 1 67 64 LEU . 11454 1 68 65 GLN . 11454 1 69 66 ALA . 11454 1 70 67 LEU . 11454 1 71 68 GLN . 11454 1 72 69 ALA . 11454 1 73 70 ALA . 11454 1 74 71 PRO . 11454 1 75 72 LEU . 11454 1 76 73 SER . 11454 1 77 74 GLY . 11454 1 78 75 GLN . 11454 1 79 76 THR . 11454 1 80 77 PHE . 11454 1 81 78 THR . 11454 1 82 79 THR . 11454 1 83 80 GLN . 11454 1 84 81 ALA . 11454 1 85 82 ILE . 11454 1 86 83 SER . 11454 1 87 84 GLN . 11454 1 88 85 GLU . 11454 1 89 86 THR . 11454 1 90 87 LEU . 11454 1 91 88 GLN . 11454 1 92 89 ASN . 11454 1 93 90 LEU . 11454 1 94 91 GLN . 11454 1 95 92 LEU . 11454 1 96 93 GLN . 11454 1 97 94 ALA . 11454 1 98 95 VAL . 11454 1 99 96 PRO . 11454 1 100 97 ASN . 11454 1 101 98 SER . 11454 1 102 99 GLY . 11454 1 103 100 PRO . 11454 1 104 101 ILE . 11454 1 105 102 ILE . 11454 1 106 103 ILE . 11454 1 107 104 ARG . 11454 1 108 105 THR . 11454 1 109 106 PRO . 11454 1 110 107 THR . 11454 1 111 108 VAL . 11454 1 112 109 GLY . 11454 1 113 110 PRO . 11454 1 114 111 ASN . 11454 1 115 112 GLY . 11454 1 116 113 GLN . 11454 1 117 114 VAL . 11454 1 118 115 SER . 11454 1 119 116 TRP . 11454 1 120 117 GLN . 11454 1 121 118 THR . 11454 1 122 119 LEU . 11454 1 123 120 GLN . 11454 1 124 121 LEU . 11454 1 125 122 GLN . 11454 1 126 123 ASN . 11454 1 127 124 LEU . 11454 1 128 125 GLN . 11454 1 129 126 VAL . 11454 1 130 127 GLN . 11454 1 131 128 ASN . 11454 1 132 129 PRO . 11454 1 133 130 GLN . 11454 1 134 131 ALA . 11454 1 135 132 GLN . 11454 1 136 133 THR . 11454 1 137 134 ILE . 11454 1 138 135 THR . 11454 1 139 136 LEU . 11454 1 140 137 ALA . 11454 1 141 138 PRO . 11454 1 142 139 MET . 11454 1 143 140 GLN . 11454 1 144 141 GLY . 11454 1 145 142 VAL . 11454 1 146 143 SER . 11454 1 147 144 LEU . 11454 1 148 145 GLY . 11454 1 149 146 GLN . 11454 1 150 147 THR . 11454 1 151 148 PRO . 11454 1 152 149 GLY . 11454 1 153 150 GLY . 11454 1 154 151 THR . 11454 1 155 152 LEU . 11454 1 156 153 GLU . 11454 1 157 154 ASP . 11454 1 158 155 TYR . 11454 1 159 156 LYS . 11454 1 160 157 ASP . 11454 1 161 158 ASP . 11454 1 162 159 ASP . 11454 1 163 160 ASP . 11454 1 164 161 LYS . 11454 1 165 162 GLY . 11454 1 166 163 SER . 11454 1 167 164 HIS . 11454 1 168 165 HIS . 11454 1 169 166 HIS . 11454 1 170 167 HIS . 11454 1 171 168 HIS . 11454 1 172 169 HIS . 11454 1 stop_ loop_ _Entity_poly_seq.Hetero _Entity_poly_seq.Mon_ID _Entity_poly_seq.Num _Entity_poly_seq.Comp_index_ID _Entity_poly_seq.Entry_ID _Entity_poly_seq.Entity_ID . GLY 1 1 11454 1 . ILE 2 2 11454 1 . LEU 3 3 11454 1 . THR 4 4 11454 1 . ASN 5 5 11454 1 . SER 6 6 11454 1 . GLN 7 7 11454 1 . GLY 8 8 11454 1 . GLN 9 9 11454 1 . THR 10 10 11454 1 . PRO 11 11 11454 1 . GLN 12 12 11454 1 . ARG 13 13 11454 1 . VAL 14 14 11454 1 . SER 15 15 11454 1 . GLY 16 16 11454 1 . LEU 17 17 11454 1 . GLN 18 18 11454 1 . GLY 19 19 11454 1 . SER 20 20 11454 1 . ASP 21 21 11454 1 . ALA 22 22 11454 1 . LEU 23 23 11454 1 . ASN 24 24 11454 1 . ILE 25 25 11454 1 . GLN 26 26 11454 1 . GLN 27 27 11454 1 . ASN 28 28 11454 1 . GLN 29 29 11454 1 . THR 30 30 11454 1 . SER 31 31 11454 1 . GLY 32 32 11454 1 . GLY 33 33 11454 1 . SER 34 34 11454 1 . LEU 35 35 11454 1 . GLN 36 36 11454 1 . ALA 37 37 11454 1 . GLY 38 38 11454 1 . GLN 39 39 11454 1 . GLN 40 40 11454 1 . LYS 41 41 11454 1 . GLU 42 42 11454 1 . GLY 43 43 11454 1 . GLU 44 44 11454 1 . GLN 45 45 11454 1 . ASN 46 46 11454 1 . GLN 47 47 11454 1 . GLN 48 48 11454 1 . THR 49 49 11454 1 . GLN 50 50 11454 1 . GLN 51 51 11454 1 . GLN 52 52 11454 1 . GLN 53 53 11454 1 . ILE 54 54 11454 1 . LEU 55 55 11454 1 . ILE 56 56 11454 1 . GLN 57 57 11454 1 . PRO 58 58 11454 1 . GLN 59 59 11454 1 . LEU 60 60 11454 1 . VAL 61 61 11454 1 . GLN 62 62 11454 1 . GLY 63 63 11454 1 . GLY 64 64 11454 1 . GLN 65 65 11454 1 . ALA 66 66 11454 1 . LEU 67 67 11454 1 . GLN 68 68 11454 1 . ALA 69 69 11454 1 . LEU 70 70 11454 1 . GLN 71 71 11454 1 . ALA 72 72 11454 1 . ALA 73 73 11454 1 . PRO 74 74 11454 1 . LEU 75 75 11454 1 . SER 76 76 11454 1 . GLY 77 77 11454 1 . GLN 78 78 11454 1 . THR 79 79 11454 1 . PHE 80 80 11454 1 . THR 81 81 11454 1 . THR 82 82 11454 1 . GLN 83 83 11454 1 . ALA 84 84 11454 1 . ILE 85 85 11454 1 . SER 86 86 11454 1 . GLN 87 87 11454 1 . GLU 88 88 11454 1 . THR 89 89 11454 1 . LEU 90 90 11454 1 . GLN 91 91 11454 1 . ASN 92 92 11454 1 . LEU 93 93 11454 1 . GLN 94 94 11454 1 . LEU 95 95 11454 1 . GLN 96 96 11454 1 . ALA 97 97 11454 1 . VAL 98 98 11454 1 . PRO 99 99 11454 1 . ASN 100 100 11454 1 . SER 101 101 11454 1 . GLY 102 102 11454 1 . PRO 103 103 11454 1 . ILE 104 104 11454 1 . ILE 105 105 11454 1 . ILE 106 106 11454 1 . ARG 107 107 11454 1 . THR 108 108 11454 1 . PRO 109 109 11454 1 . THR 110 110 11454 1 . VAL 111 111 11454 1 . GLY 112 112 11454 1 . PRO 113 113 11454 1 . ASN 114 114 11454 1 . GLY 115 115 11454 1 . GLN 116 116 11454 1 . VAL 117 117 11454 1 . SER 118 118 11454 1 . TRP 119 119 11454 1 . GLN 120 120 11454 1 . THR 121 121 11454 1 . LEU 122 122 11454 1 . GLN 123 123 11454 1 . LEU 124 124 11454 1 . GLN 125 125 11454 1 . ASN 126 126 11454 1 . LEU 127 127 11454 1 . GLN 128 128 11454 1 . VAL 129 129 11454 1 . GLN 130 130 11454 1 . ASN 131 131 11454 1 . PRO 132 132 11454 1 . GLN 133 133 11454 1 . ALA 134 134 11454 1 . GLN 135 135 11454 1 . THR 136 136 11454 1 . ILE 137 137 11454 1 . THR 138 138 11454 1 . LEU 139 139 11454 1 . ALA 140 140 11454 1 . PRO 141 141 11454 1 . MET 142 142 11454 1 . GLN 143 143 11454 1 . GLY 144 144 11454 1 . VAL 145 145 11454 1 . SER 146 146 11454 1 . LEU 147 147 11454 1 . GLY 148 148 11454 1 . GLN 149 149 11454 1 . THR 150 150 11454 1 . PRO 151 151 11454 1 . GLY 152 152 11454 1 . GLY 153 153 11454 1 . THR 154 154 11454 1 . LEU 155 155 11454 1 . GLU 156 156 11454 1 . ASP 157 157 11454 1 . TYR 158 158 11454 1 . LYS 159 159 11454 1 . ASP 160 160 11454 1 . ASP 161 161 11454 1 . ASP 162 162 11454 1 . ASP 163 163 11454 1 . LYS 164 164 11454 1 . GLY 165 165 11454 1 . SER 166 166 11454 1 . HIS 167 167 11454 1 . HIS 168 168 11454 1 . HIS 169 169 11454 1 . HIS 170 170 11454 1 . HIS 171 171 11454 1 . HIS 172 172 11454 1 stop_ save_ #################### # Natural source # #################### save_natural_source _Entity_natural_src_list.Sf_category natural_source _Entity_natural_src_list.Sf_framecode natural_source _Entity_natural_src_list.Entry_ID 11454 _Entity_natural_src_list.ID 1 loop_ _Entity_natural_src.ID _Entity_natural_src.Entity_ID _Entity_natural_src.Entity_label _Entity_natural_src.Entity_chimera_segment_ID _Entity_natural_src.NCBI_taxonomy_ID _Entity_natural_src.Type _Entity_natural_src.Common _Entity_natural_src.Organism_name_scientific _Entity_natural_src.Organism_name_common _Entity_natural_src.Organism_acronym _Entity_natural_src.ICTVdb_decimal_code _Entity_natural_src.Superkingdom _Entity_natural_src.Kingdom _Entity_natural_src.Genus _Entity_natural_src.Species _Entity_natural_src.Strain _Entity_natural_src.Variant _Entity_natural_src.Subvariant _Entity_natural_src.Organ _Entity_natural_src.Tissue _Entity_natural_src.Tissue_fraction _Entity_natural_src.Cell_line _Entity_natural_src.Cell_type _Entity_natural_src.ATCC_number _Entity_natural_src.Organelle _Entity_natural_src.Cellular_location _Entity_natural_src.Fragment _Entity_natural_src.Fraction _Entity_natural_src.Secretion _Entity_natural_src.Plasmid _Entity_natural_src.Plasmid_details _Entity_natural_src.Gene_mnemonic _Entity_natural_src.Dev_stage _Entity_natural_src.Details _Entity_natural_src.Citation_ID _Entity_natural_src.Citation_label _Entity_natural_src.Entry_ID _Entity_natural_src.Entity_natural_src_list_ID 1 1 $QB_domain_of_Sp1 . 9606 organism . 'Homo sapiens' human . . Eukaryota Metazoa Homo sapiens . . . . . . . . . . . . . . . . . . . . . 11454 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 11454 _Entity_experimental_src_list.ID 1 loop_ _Entity_experimental_src.ID _Entity_experimental_src.Entity_ID _Entity_experimental_src.Entity_label _Entity_experimental_src.Entity_chimera_segment_ID _Entity_experimental_src.Production_method _Entity_experimental_src.Host_org_scientific_name _Entity_experimental_src.Host_org_name_common _Entity_experimental_src.Host_org_details _Entity_experimental_src.Host_org_NCBI_taxonomy_ID _Entity_experimental_src.Host_org_genus _Entity_experimental_src.Host_org_species _Entity_experimental_src.Host_org_strain _Entity_experimental_src.Host_org_variant _Entity_experimental_src.Host_org_subvariant _Entity_experimental_src.Host_org_organ _Entity_experimental_src.Host_org_tissue _Entity_experimental_src.Host_org_tissue_fraction _Entity_experimental_src.Host_org_cell_line _Entity_experimental_src.Host_org_cell_type _Entity_experimental_src.Host_org_cellular_location _Entity_experimental_src.Host_org_organelle _Entity_experimental_src.Host_org_gene _Entity_experimental_src.Host_org_culture_collection _Entity_experimental_src.Host_org_ATCC_number _Entity_experimental_src.Vector_type _Entity_experimental_src.PDBview_host_org_vector_name _Entity_experimental_src.PDBview_plasmid_name _Entity_experimental_src.Vector_name _Entity_experimental_src.Vector_details _Entity_experimental_src.Vendor_name _Entity_experimental_src.Host_org_dev_stage _Entity_experimental_src.Details _Entity_experimental_src.Citation_ID _Entity_experimental_src.Citation_label _Entity_experimental_src.Entry_ID _Entity_experimental_src.Entity_experimental_src_list_ID 1 1 $QB_domain_of_Sp1 . 'recombinant technology' 'Escherichia coli' 'E. coli' . 562 Escherichia coli . . . . . . . . . . . . . . . . pGEX1 . . . . . . 11454 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 11454 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '90% H2O/10% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 'QB domain of Sp1' '[U-99% 15N]' . . 1 $QB_domain_of_Sp1 . . . 50 550 uM . . . . 11454 1 2 H2O . . . . . . solvent 90 . . % . . . . 11454 1 3 D2O . . . . . . solvent 10 . . % . . . . 11454 1 4 NaCl . . . . . . salt 140 . . mM . . . . 11454 1 5 Na-Phosphate . . . . . . buffer 20 . . mM . . . . 11454 1 stop_ save_ save_sample_2 _Sample.Sf_category sample _Sample.Sf_framecode sample_2 _Sample.Entry_ID 11454 _Sample.ID 2 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '90% H2O/10% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 'QB domain of Sp1' '[U-99% 13C; U-99% 15N]' . . 1 $QB_domain_of_Sp1 . . 500 . . uM . . . . 11454 2 2 H2O . . . . . . solvent 90 . . % . . . . 11454 2 3 D2O . . . . . . solvent 10 . . % . . . . 11454 2 4 NaCl . . . . . . salt 140 . . mM . . . . 11454 2 5 Na-Phosphate . . . . . . buffer 20 . . mM . . . . 11454 2 stop_ save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode sample_conditions_1 _Sample_condition_list.Entry_ID 11454 _Sample_condition_list.ID 1 _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID 'ionic strength' 150 . mM 11454 1 pH 7.3 . pH 11454 1 pressure 1 . atm 11454 1 temperature 277 . K 11454 1 stop_ save_ ############################ # Computer software used # ############################ save_NMRPipe _Software.Sf_category software _Software.Sf_framecode NMRPipe _Software.Entry_ID 11454 _Software.ID 1 _Software.Name NMRPipe _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Delaglio, Zhengrong and Bax' . . 11454 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID processing 11454 1 stop_ save_ save_NMRDraw _Software.Sf_category software _Software.Sf_framecode NMRDraw _Software.Entry_ID 11454 _Software.ID 2 _Software.Name NMRDraw _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Delaglio, Zhengrong and Bax' . . 11454 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 11454 2 stop_ save_ save_PIPP _Software.Sf_category software _Software.Sf_framecode PIPP _Software.Entry_ID 11454 _Software.ID 3 _Software.Name PIPP _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID Garrett . . 11454 3 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'peak picking' 11454 3 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_1 _NMR_spectrometer.Entry_ID 11454 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model DMX _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 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 11454 _NMR_spectrometer_list.ID 1 loop_ _NMR_spectrometer_view.ID _NMR_spectrometer_view.Name _NMR_spectrometer_view.Manufacturer _NMR_spectrometer_view.Model _NMR_spectrometer_view.Serial_number _NMR_spectrometer_view.Field_strength _NMR_spectrometer_view.Details _NMR_spectrometer_view.Citation_ID _NMR_spectrometer_view.Citation_label _NMR_spectrometer_view.Entry_ID _NMR_spectrometer_view.NMR_spectrometer_list_ID 1 spectrometer_1 Bruker DMX . 600 . . . 11454 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 11454 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NMR_spec_expt_ID _Experiment.NMR_spec_expt_label _Experiment.MS_expt_ID _Experiment.MS_expt_label _Experiment.SAXS_expt_ID _Experiment.SAXS_expt_label _Experiment.FRET_expt_ID _Experiment.FRET_expt_label _Experiment.EMR_expt_ID _Experiment.EMR_expt_label _Experiment.Sample_ID _Experiment.Sample_label _Experiment.Sample_state _Experiment.Sample_volume _Experiment.Sample_volume_units _Experiment.Sample_condition_list_ID _Experiment.Sample_condition_list_label _Experiment.Sample_spinning_rate _Experiment.Sample_angle _Experiment.NMR_tube_type _Experiment.NMR_spectrometer_ID _Experiment.NMR_spectrometer_label _Experiment.NMR_spectrometer_probe_ID _Experiment.NMR_spectrometer_probe_label _Experiment.NMR_spectral_processing_ID _Experiment.NMR_spectral_processing_label _Experiment.Mass_spectrometer_ID _Experiment.Mass_spectrometer_label _Experiment.Xray_instrument_ID _Experiment.Xray_instrument_label _Experiment.Fluorescence_instrument_ID _Experiment.Fluorescence_instrument_label _Experiment.EMR_instrument_ID _Experiment.EMR_instrument_label _Experiment.Chromatographic_system_ID _Experiment.Chromatographic_system_label _Experiment.Chromatographic_column_ID _Experiment.Chromatographic_column_label _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 '2D 1H-15N HSQC' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 11454 1 2 '3D HNCACB' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 11454 1 3 '3D hNcocaNH' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 11454 1 stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference_1 _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chemical_shift_reference_1 _Chem_shift_reference.Entry_ID 11454 _Chem_shift_reference.ID 1 _Chem_shift_reference.Details . loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Indirect_shift_ratio_cit_ID _Chem_shift_ref.Indirect_shift_ratio_cit_label _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Correction_val_cit_ID _Chem_shift_ref.Correction_val_cit_label _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C 13 DSS 'methyl protons' . . . . ppm 0.00 external indirect 0.251449530 . . . . . . . . . 11454 1 H 1 DSS 'methyl protons' . . . . ppm 0.00 external direct 1.0 . . . . . . . . . 11454 1 N 15 DSS 'methyl protons' . . . . ppm 0.00 external indirect 0.101329118 . . . . . . . . . 11454 1 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_assigned_chem_shift_list_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chem_shift_list_1 _Assigned_chem_shift_list.Entry_ID 11454 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 1 '2D 1H-15N HSQC' . . . 11454 1 2 '3D HNCACB' . . . 11454 1 3 '3D hNcocaNH' . . . 11454 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 1 2 2 ILE CA C 13 61.28 0.1 . 1 . . . . -1 ILE CA . 11454 1 2 . 1 1 2 2 ILE CB C 13 38.70 0.1 . 1 . . . . -1 ILE CB . 11454 1 3 . 1 1 3 3 LEU H H 1 8.16 0.01 . 1 . . . . 0 LEU H . 11454 1 4 . 1 1 3 3 LEU CA C 13 54.85 0.1 . 1 . . . . 0 LEU CA . 11454 1 5 . 1 1 3 3 LEU CB C 13 41.97 0.1 . 1 . . . . 0 LEU CB . 11454 1 6 . 1 1 3 3 LEU N N 15 125.81 0.05 . 1 . . . . 0 LEU N . 11454 1 7 . 1 1 4 4 THR H H 1 7.81 0.01 . 1 . . . . 1 THR H . 11454 1 8 . 1 1 4 4 THR CA C 13 61.62 0.1 . 1 . . . . 1 THR CA . 11454 1 9 . 1 1 4 4 THR CB C 13 69.58 0.1 . 1 . . . . 1 THR CB . 11454 1 10 . 1 1 4 4 THR N N 15 115.36 0.05 . 1 . . . . 1 THR N . 11454 1 11 . 1 1 5 5 ASN H H 1 8.14 0.01 . 1 . . . . 2 ASN H . 11454 1 12 . 1 1 5 5 ASN CA C 13 53.01 0.1 . 1 . . . . 2 ASN CA . 11454 1 13 . 1 1 5 5 ASN CB C 13 38.50 0.1 . 1 . . . . 2 ASN CB . 11454 1 14 . 1 1 5 5 ASN N N 15 120.81 0.05 . 1 . . . . 2 ASN N . 11454 1 15 . 1 1 6 6 SER H H 1 8.05 0.01 . 1 . . . . 3 SER H . 11454 1 16 . 1 1 6 6 SER CA C 13 58.66 0.1 . 1 . . . . 3 SER CA . 11454 1 17 . 1 1 6 6 SER CB C 13 63.31 0.1 . 1 . . . . 3 SER CB . 11454 1 18 . 1 1 6 6 SER N N 15 116.36 0.05 . 1 . . . . 3 SER N . 11454 1 19 . 1 1 7 7 GLN H H 1 8.04 0.01 . 1 . . . . 4 GLN H . 11454 1 20 . 1 1 7 7 GLN CA C 13 55.98 0.1 . 1 . . . . 4 GLN CA . 11454 1 21 . 1 1 7 7 GLN CB C 13 28.96 0.1 . 1 . . . . 4 GLN CB . 11454 1 22 . 1 1 7 7 GLN N N 15 121.77 0.05 . 1 . . . . 4 GLN N . 11454 1 23 . 1 1 8 8 GLY H H 1 8.03 0.01 . 1 . . . . 5 GLY H . 11454 1 24 . 1 1 8 8 GLY CA C 13 45.08 0.1 . 1 . . . . 5 GLY CA . 11454 1 25 . 1 1 8 8 GLY N N 15 109.58 0.05 . 1 . . . . 5 GLY N . 11454 1 26 . 1 1 9 9 GLN H H 1 7.86 0.01 . 1 . . . . 6 GLN H . 11454 1 27 . 1 1 9 9 GLN CA C 13 55.23 0.1 . 1 . . . . 6 GLN CA . 11454 1 28 . 1 1 9 9 GLN CB C 13 29.41 0.1 . 1 . . . . 6 GLN CB . 11454 1 29 . 1 1 9 9 GLN N N 15 119.44 0.05 . 1 . . . . 6 GLN N . 11454 1 30 . 1 1 10 10 THR H H 1 8.03 0.01 . 1 . . . . 7 THR H . 11454 1 31 . 1 1 10 10 THR CA C 13 59.92 0.1 . 1 . . . . 7 THR CA . 11454 1 32 . 1 1 10 10 THR CB C 13 69.33 0.1 . 1 . . . . 7 THR CB . 11454 1 33 . 1 1 10 10 THR N N 15 118.66 0.05 . 1 . . . . 7 THR N . 11454 1 34 . 1 1 11 11 PRO CA C 13 63.06 0.1 . 1 . . . . 8 PRO CA . 11454 1 35 . 1 1 11 11 PRO CB C 13 31.90 0.1 . 1 . . . . 8 PRO CB . 11454 1 36 . 1 1 12 12 GLN H H 1 8.18 0.01 . 1 . . . . 9 GLN H . 11454 1 37 . 1 1 12 12 GLN CA C 13 55.59 0.1 . 1 . . . . 9 GLN CA . 11454 1 38 . 1 1 12 12 GLN CB C 13 29.34 0.1 . 1 . . . . 9 GLN CB . 11454 1 39 . 1 1 12 12 GLN N N 15 121.11 0.05 . 1 . . . . 9 GLN N . 11454 1 40 . 1 1 13 13 ARG H H 1 8.11 0.01 . 1 . . . . 10 ARG H . 11454 1 41 . 1 1 13 13 ARG CA C 13 55.84 0.1 . 1 . . . . 10 ARG CA . 11454 1 42 . 1 1 13 13 ARG CB C 13 30.59 0.1 . 1 . . . . 10 ARG CB . 11454 1 43 . 1 1 13 13 ARG N N 15 123.22 0.05 . 1 . . . . 10 ARG N . 11454 1 44 . 1 1 14 14 VAL H H 1 7.99 0.01 . 1 . . . . 11 VAL H . 11454 1 45 . 1 1 14 14 VAL CA C 13 62.02 0.1 . 1 . . . . 11 VAL CA . 11454 1 46 . 1 1 14 14 VAL CB C 13 32.61 0.1 . 1 . . . . 11 VAL CB . 11454 1 47 . 1 1 14 14 VAL N N 15 122.13 0.05 . 1 . . . . 11 VAL N . 11454 1 48 . 1 1 15 15 SER H H 1 8.12 0.01 . 1 . . . . 12 SER H . 11454 1 49 . 1 1 15 15 SER CA C 13 58.25 0.1 . 1 . . . . 12 SER CA . 11454 1 50 . 1 1 15 15 SER CB C 13 63.62 0.1 . 1 . . . . 12 SER CB . 11454 1 51 . 1 1 15 15 SER N N 15 119.75 0.05 . 1 . . . . 12 SER N . 11454 1 52 . 1 1 16 16 GLY H H 1 8.11 0.01 . 1 . . . . 13 GLY H . 11454 1 53 . 1 1 16 16 GLY CA C 13 45.01 0.1 . 1 . . . . 13 GLY CA . 11454 1 54 . 1 1 16 16 GLY N N 15 110.94 0.05 . 1 . . . . 13 GLY N . 11454 1 55 . 1 1 17 17 LEU H H 1 7.80 0.01 . 1 . . . . 14 LEU H . 11454 1 56 . 1 1 17 17 LEU CA C 13 54.93 0.1 . 1 . . . . 14 LEU CA . 11454 1 57 . 1 1 17 17 LEU CB C 13 42.01 0.1 . 1 . . . . 14 LEU CB . 11454 1 58 . 1 1 17 17 LEU N N 15 121.44 0.05 . 1 . . . . 14 LEU N . 11454 1 59 . 1 1 18 18 GLN H H 1 8.20 0.01 . 1 . . . . 15 GLN H . 11454 1 60 . 1 1 18 18 GLN CA C 13 55.70 0.1 . 1 . . . . 15 GLN CA . 11454 1 61 . 1 1 18 18 GLN CB C 13 29.19 0.1 . 1 . . . . 15 GLN CB . 11454 1 62 . 1 1 18 18 GLN N N 15 121.11 0.05 . 1 . . . . 15 GLN N . 11454 1 63 . 1 1 19 19 GLY H H 1 8.15 0.01 . 1 . . . . 16 GLY H . 11454 1 64 . 1 1 19 19 GLY CA C 13 45.11 0.1 . 1 . . . . 16 GLY CA . 11454 1 65 . 1 1 19 19 GLY N N 15 110.39 0.05 . 1 . . . . 16 GLY N . 11454 1 66 . 1 1 20 20 SER H H 1 7.96 0.01 . 1 . . . . 17 SER H . 11454 1 67 . 1 1 20 20 SER CA C 13 58.50 0.1 . 1 . . . . 17 SER CA . 11454 1 68 . 1 1 20 20 SER CB C 13 63.48 0.1 . 1 . . . . 17 SER CB . 11454 1 69 . 1 1 20 20 SER N N 15 115.91 0.05 . 1 . . . . 17 SER N . 11454 1 70 . 1 1 21 21 ASP H H 1 8.08 0.01 . 1 . . . . 18 ASP H . 11454 1 71 . 1 1 21 21 ASP CA C 13 54.50 0.1 . 1 . . . . 18 ASP CA . 11454 1 72 . 1 1 21 21 ASP CB C 13 40.65 0.1 . 1 . . . . 18 ASP CB . 11454 1 73 . 1 1 21 21 ASP N N 15 122.20 0.05 . 1 . . . . 18 ASP N . 11454 1 74 . 1 1 22 22 ALA H H 1 7.72 0.01 . 1 . . . . 19 ALA H . 11454 1 75 . 1 1 22 22 ALA CA C 13 52.90 0.1 . 1 . . . . 19 ALA CA . 11454 1 76 . 1 1 22 22 ALA CB C 13 18.72 0.1 . 1 . . . . 19 ALA CB . 11454 1 77 . 1 1 22 22 ALA N N 15 123.30 0.05 . 1 . . . . 19 ALA N . 11454 1 78 . 1 1 23 23 LEU H H 1 7.71 0.01 . 1 . . . . 20 LEU H . 11454 1 79 . 1 1 23 23 LEU CA C 13 55.23 0.1 . 1 . . . . 20 LEU CA . 11454 1 80 . 1 1 23 23 LEU CB C 13 41.84 0.1 . 1 . . . . 20 LEU CB . 11454 1 81 . 1 1 23 23 LEU N N 15 119.46 0.05 . 1 . . . . 20 LEU N . 11454 1 82 . 1 1 24 24 ASN H H 1 7.86 0.01 . 1 . . . . 21 ASN H . 11454 1 83 . 1 1 24 24 ASN CA C 13 53.22 0.1 . 1 . . . . 21 ASN CA . 11454 1 84 . 1 1 24 24 ASN CB C 13 38.29 0.1 . 1 . . . . 21 ASN CB . 11454 1 85 . 1 1 24 24 ASN N N 15 118.88 0.05 . 1 . . . . 21 ASN N . 11454 1 86 . 1 1 25 25 ILE H H 1 7.66 0.01 . 1 . . . . 22 ILE H . 11454 1 87 . 1 1 25 25 ILE CA C 13 61.53 0.1 . 1 . . . . 22 ILE CA . 11454 1 88 . 1 1 25 25 ILE CB C 13 38.26 0.1 . 1 . . . . 22 ILE CB . 11454 1 89 . 1 1 25 25 ILE N N 15 120.72 0.05 . 1 . . . . 22 ILE N . 11454 1 90 . 1 1 26 26 GLN H H 1 8.06 0.01 . 1 . . . . 23 GLN H . 11454 1 91 . 1 1 26 26 GLN CA C 13 55.96 0.1 . 1 . . . . 23 GLN CA . 11454 1 92 . 1 1 26 26 GLN CB C 13 28.88 0.1 . 1 . . . . 23 GLN CB . 11454 1 93 . 1 1 26 26 GLN N N 15 123.64 0.05 . 1 . . . . 23 GLN N . 11454 1 94 . 1 1 27 27 GLN H H 1 8.07 0.01 . 1 . . . . 24 GLN H . 11454 1 95 . 1 1 27 27 GLN CA C 13 55.92 0.1 . 1 . . . . 24 GLN CA . 11454 1 96 . 1 1 27 27 GLN CB C 13 29.08 0.1 . 1 . . . . 24 GLN CB . 11454 1 97 . 1 1 27 27 GLN N N 15 121.11 0.05 . 1 . . . . 24 GLN N . 11454 1 98 . 1 1 28 28 ASN H H 1 8.10 0.01 . 1 . . . . 25 ASN H . 11454 1 99 . 1 1 28 28 ASN CA C 13 53.24 0.1 . 1 . . . . 25 ASN CA . 11454 1 100 . 1 1 28 28 ASN CB C 13 38.46 0.1 . 1 . . . . 25 ASN CB . 11454 1 101 . 1 1 28 28 ASN N N 15 119.17 0.05 . 1 . . . . 25 ASN N . 11454 1 102 . 1 1 29 29 GLN H H 1 8.08 0.01 . 1 . . . . 26 GLN H . 11454 1 103 . 1 1 29 29 GLN CA C 13 55.95 0.1 . 1 . . . . 26 GLN CA . 11454 1 104 . 1 1 29 29 GLN CB C 13 29.15 0.1 . 1 . . . . 26 GLN CB . 11454 1 105 . 1 1 29 29 GLN N N 15 120.60 0.05 . 1 . . . . 26 GLN N . 11454 1 106 . 1 1 30 30 THR H H 1 7.93 0.01 . 1 . . . . 27 THR H . 11454 1 107 . 1 1 30 30 THR CA C 13 61.72 0.1 . 1 . . . . 27 THR CA . 11454 1 108 . 1 1 30 30 THR CB C 13 69.60 0.1 . 1 . . . . 27 THR CB . 11454 1 109 . 1 1 30 30 THR N N 15 114.79 0.05 . 1 . . . . 27 THR N . 11454 1 110 . 1 1 31 31 SER H H 1 8.05 0.01 . 1 . . . . 28 SER H . 11454 1 111 . 1 1 31 31 SER CA C 13 58.46 0.1 . 1 . . . . 28 SER CA . 11454 1 112 . 1 1 31 31 SER CB C 13 63.52 0.1 . 1 . . . . 28 SER CB . 11454 1 113 . 1 1 31 31 SER N N 15 117.91 0.05 . 1 . . . . 28 SER N . 11454 1 114 . 1 1 32 32 GLY H H 1 8.15 0.01 . 1 . . . . 29 GLY H . 11454 1 115 . 1 1 32 32 GLY CA C 13 45.10 0.1 . 1 . . . . 29 GLY CA . 11454 1 116 . 1 1 32 32 GLY N N 15 110.94 0.05 . 1 . . . . 29 GLY N . 11454 1 117 . 1 1 33 33 GLY H H 1 7.92 0.01 . 1 . . . . 30 GLY H . 11454 1 118 . 1 1 33 33 GLY CA C 13 44.95 0.1 . 1 . . . . 30 GLY CA . 11454 1 119 . 1 1 33 33 GLY N N 15 108.68 0.05 . 1 . . . . 30 GLY N . 11454 1 120 . 1 1 34 34 SER H H 1 7.92 0.01 . 1 . . . . 31 SER H . 11454 1 121 . 1 1 34 34 SER CA C 13 58.22 0.1 . 1 . . . . 31 SER CA . 11454 1 122 . 1 1 34 34 SER CB C 13 63.54 0.1 . 1 . . . . 31 SER CB . 11454 1 123 . 1 1 34 34 SER N N 15 115.61 0.05 . 1 . . . . 31 SER N . 11454 1 124 . 1 1 35 35 LEU H H 1 8.02 0.01 . 1 . . . . 32 LEU H . 11454 1 125 . 1 1 35 35 LEU CA C 13 55.30 0.1 . 1 . . . . 32 LEU CA . 11454 1 126 . 1 1 35 35 LEU CB C 13 41.87 0.1 . 1 . . . . 32 LEU CB . 11454 1 127 . 1 1 35 35 LEU N N 15 123.93 0.05 . 1 . . . . 32 LEU N . 11454 1 128 . 1 1 36 36 GLN H H 1 7.98 0.01 . 1 . . . . 33 GLN H . 11454 1 129 . 1 1 36 36 GLN CA C 13 55.48 0.1 . 1 . . . . 33 GLN CA . 11454 1 130 . 1 1 36 36 GLN CB C 13 29.10 0.1 . 1 . . . . 33 GLN CB . 11454 1 131 . 1 1 36 36 GLN N N 15 121.06 0.05 . 1 . . . . 33 GLN N . 11454 1 132 . 1 1 37 37 ALA H H 1 8.01 0.01 . 1 . . . . 34 ALA H . 11454 1 133 . 1 1 37 37 ALA CA C 13 52.75 0.1 . 1 . . . . 34 ALA CA . 11454 1 134 . 1 1 37 37 ALA CB C 13 18.76 0.1 . 1 . . . . 34 ALA CB . 11454 1 135 . 1 1 37 37 ALA N N 15 125.38 0.05 . 1 . . . . 34 ALA N . 11454 1 136 . 1 1 38 38 GLY H H 1 8.08 0.01 . 1 . . . . 35 GLY H . 11454 1 137 . 1 1 38 38 GLY CA C 13 45.11 0.1 . 1 . . . . 35 GLY CA . 11454 1 138 . 1 1 38 38 GLY N N 15 108.37 0.05 . 1 . . . . 35 GLY N . 11454 1 139 . 1 1 39 39 GLN H H 1 7.80 0.01 . 1 . . . . 36 GLN H . 11454 1 140 . 1 1 39 39 GLN CA C 13 55.63 0.1 . 1 . . . . 36 GLN CA . 11454 1 141 . 1 1 39 39 GLN CB C 13 29.25 0.1 . 1 . . . . 36 GLN CB . 11454 1 142 . 1 1 39 39 GLN N N 15 119.50 0.05 . 1 . . . . 36 GLN N . 11454 1 143 . 1 1 40 40 GLN H H 1 8.16 0.01 . 1 . . . . 37 GLN H . 11454 1 144 . 1 1 40 40 GLN CA C 13 55.79 0.1 . 1 . . . . 37 GLN CA . 11454 1 145 . 1 1 40 40 GLN CB C 13 29.18 0.1 . 1 . . . . 37 GLN CB . 11454 1 146 . 1 1 40 40 GLN N N 15 121.79 0.05 . 1 . . . . 37 GLN N . 11454 1 147 . 1 1 41 41 LYS H H 1 8.14 0.01 . 1 . . . . 38 LYS H . 11454 1 148 . 1 1 41 41 LYS CA C 13 55.99 0.1 . 1 . . . . 38 LYS CA . 11454 1 149 . 1 1 41 41 LYS CB C 13 32.90 0.1 . 1 . . . . 38 LYS CB . 11454 1 150 . 1 1 41 41 LYS N N 15 123.27 0.05 . 1 . . . . 38 LYS N . 11454 1 151 . 1 1 42 42 GLU H H 1 8.22 0.01 . 1 . . . . 39 GLU H . 11454 1 152 . 1 1 42 42 GLU CA C 13 56.80 0.1 . 1 . . . . 39 GLU CA . 11454 1 153 . 1 1 42 42 GLU CB C 13 29.87 0.1 . 1 . . . . 39 GLU CB . 11454 1 154 . 1 1 42 42 GLU N N 15 122.69 0.05 . 1 . . . . 39 GLU N . 11454 1 155 . 1 1 43 43 GLY H H 1 8.18 0.01 . 1 . . . . 40 GLY H . 11454 1 156 . 1 1 43 43 GLY CA C 13 45.08 0.1 . 1 . . . . 40 GLY CA . 11454 1 157 . 1 1 43 43 GLY N N 15 110.35 0.05 . 1 . . . . 40 GLY N . 11454 1 158 . 1 1 44 44 GLU H H 1 7.84 0.01 . 1 . . . . 41 GLU H . 11454 1 159 . 1 1 44 44 GLU CA C 13 56.56 0.1 . 1 . . . . 41 GLU CA . 11454 1 160 . 1 1 44 44 GLU CB C 13 30.03 0.1 . 1 . . . . 41 GLU CB . 11454 1 161 . 1 1 44 44 GLU N N 15 120.38 0.05 . 1 . . . . 41 GLU N . 11454 1 162 . 1 1 45 45 GLN H H 1 8.23 0.01 . 1 . . . . 42 GLN H . 11454 1 163 . 1 1 45 45 GLN CA C 13 55.72 0.1 . 1 . . . . 42 GLN CA . 11454 1 164 . 1 1 45 45 GLN CB C 13 28.89 0.1 . 1 . . . . 42 GLN CB . 11454 1 165 . 1 1 45 45 GLN N N 15 121.08 0.05 . 1 . . . . 42 GLN N . 11454 1 166 . 1 1 46 46 ASN H H 1 8.16 0.01 . 1 . . . . 43 ASN H . 11454 1 167 . 1 1 46 46 ASN CA C 13 53.23 0.1 . 1 . . . . 43 ASN CA . 11454 1 168 . 1 1 46 46 ASN CB C 13 38.43 0.1 . 1 . . . . 43 ASN CB . 11454 1 169 . 1 1 46 46 ASN N N 15 119.56 0.05 . 1 . . . . 43 ASN N . 11454 1 170 . 1 1 47 47 GLN H H 1 8.08 0.01 . 1 . . . . 44 GLN H . 11454 1 171 . 1 1 47 47 GLN CA C 13 55.97 0.1 . 1 . . . . 44 GLN CA . 11454 1 172 . 1 1 47 47 GLN CB C 13 28.96 0.1 . 1 . . . . 44 GLN CB . 11454 1 173 . 1 1 47 47 GLN N N 15 120.60 0.05 . 1 . . . . 44 GLN N . 11454 1 174 . 1 1 48 48 GLN H H 1 8.11 0.01 . 1 . . . . 45 GLN H . 11454 1 175 . 1 1 48 48 GLN CA C 13 56.05 0.1 . 1 . . . . 45 GLN CA . 11454 1 176 . 1 1 48 48 GLN CB C 13 29.03 0.1 . 1 . . . . 45 GLN CB . 11454 1 177 . 1 1 48 48 GLN N N 15 120.78 0.05 . 1 . . . . 45 GLN N . 11454 1 178 . 1 1 49 49 THR H H 1 7.87 0.01 . 1 . . . . 46 THR H . 11454 1 179 . 1 1 49 49 THR CA C 13 62.19 0.1 . 1 . . . . 46 THR CA . 11454 1 180 . 1 1 49 49 THR CB C 13 69.42 0.1 . 1 . . . . 46 THR CB . 11454 1 181 . 1 1 49 49 THR N N 15 115.31 0.05 . 1 . . . . 46 THR N . 11454 1 182 . 1 1 50 50 GLN H H 1 8.09 0.01 . 1 . . . . 47 GLN H . 11454 1 183 . 1 1 50 50 GLN CA C 13 56.02 0.1 . 1 . . . . 47 GLN CA . 11454 1 184 . 1 1 50 50 GLN CB C 13 28.99 0.1 . 1 . . . . 47 GLN CB . 11454 1 185 . 1 1 50 50 GLN N N 15 122.32 0.05 . 1 . . . . 47 GLN N . 11454 1 186 . 1 1 51 51 GLN H H 1 8.08 0.01 . 1 . . . . 48 GLN H . 11454 1 187 . 1 1 51 51 GLN CA C 13 55.97 0.1 . 1 . . . . 48 GLN CA . 11454 1 188 . 1 1 51 51 GLN CB C 13 29.10 0.1 . 1 . . . . 48 GLN CB . 11454 1 189 . 1 1 51 51 GLN N N 15 121.33 0.05 . 1 . . . . 48 GLN N . 11454 1 190 . 1 1 52 52 GLN H H 1 8.05 0.01 . 1 . . . . 49 GLN H . 11454 1 191 . 1 1 52 52 GLN CA C 13 55.91 0.1 . 1 . . . . 49 GLN CA . 11454 1 192 . 1 1 52 52 GLN CB C 13 29.12 0.1 . 1 . . . . 49 GLN CB . 11454 1 193 . 1 1 52 52 GLN N N 15 121.38 0.05 . 1 . . . . 49 GLN N . 11454 1 194 . 1 1 53 53 GLN H H 1 8.07 0.01 . 1 . . . . 50 GLN H . 11454 1 195 . 1 1 53 53 GLN CA C 13 55.78 0.1 . 1 . . . . 50 GLN CA . 11454 1 196 . 1 1 53 53 GLN CB C 13 29.14 0.1 . 1 . . . . 50 GLN CB . 11454 1 197 . 1 1 53 53 GLN N N 15 121.77 0.05 . 1 . . . . 50 GLN N . 11454 1 198 . 1 1 54 54 ILE H H 1 7.88 0.01 . 1 . . . . 51 ILE H . 11454 1 199 . 1 1 54 54 ILE CA C 13 60.95 0.1 . 1 . . . . 51 ILE CA . 11454 1 200 . 1 1 54 54 ILE CB C 13 38.23 0.1 . 1 . . . . 51 ILE CB . 11454 1 201 . 1 1 54 54 ILE N N 15 122.77 0.05 . 1 . . . . 51 ILE N . 11454 1 202 . 1 1 55 55 LEU H H 1 7.96 0.01 . 1 . . . . 52 LEU H . 11454 1 203 . 1 1 55 55 LEU CA C 13 54.72 0.1 . 1 . . . . 52 LEU CA . 11454 1 204 . 1 1 55 55 LEU CB C 13 42.06 0.1 . 1 . . . . 52 LEU CB . 11454 1 205 . 1 1 55 55 LEU N N 15 126.72 0.05 . 1 . . . . 52 LEU N . 11454 1 206 . 1 1 56 56 ILE H H 1 7.83 0.01 . 1 . . . . 53 ILE H . 11454 1 207 . 1 1 56 56 ILE CA C 13 60.49 0.1 . 1 . . . . 53 ILE CA . 11454 1 208 . 1 1 56 56 ILE CB C 13 38.16 0.1 . 1 . . . . 53 ILE CB . 11454 1 209 . 1 1 56 56 ILE N N 15 123.12 0.05 . 1 . . . . 53 ILE N . 11454 1 210 . 1 1 57 57 GLN H H 1 8.15 0.01 . 1 . . . . 54 GLN H . 11454 1 211 . 1 1 57 57 GLN CA C 13 53.37 0.1 . 1 . . . . 54 GLN CA . 11454 1 212 . 1 1 57 57 GLN CB C 13 28.53 0.1 . 1 . . . . 54 GLN CB . 11454 1 213 . 1 1 57 57 GLN N N 15 126.32 0.05 . 1 . . . . 54 GLN N . 11454 1 214 . 1 1 58 58 PRO CA C 13 62.93 0.1 . 1 . . . . 55 PRO CA . 11454 1 215 . 1 1 58 58 PRO CB C 13 31.91 0.1 . 1 . . . . 55 PRO CB . 11454 1 216 . 1 1 59 59 GLN H H 1 8.19 0.01 . 1 . . . . 56 GLN H . 11454 1 217 . 1 1 59 59 GLN CA C 13 55.48 0.1 . 1 . . . . 56 GLN CA . 11454 1 218 . 1 1 59 59 GLN CB C 13 29.13 0.1 . 1 . . . . 56 GLN CB . 11454 1 219 . 1 1 59 59 GLN N N 15 120.45 0.05 . 1 . . . . 56 GLN N . 11454 1 220 . 1 1 60 60 LEU H H 1 7.98 0.01 . 1 . . . . 57 LEU H . 11454 1 221 . 1 1 60 60 LEU CA C 13 54.83 0.1 . 1 . . . . 57 LEU CA . 11454 1 222 . 1 1 60 60 LEU CB C 13 41.99 0.1 . 1 . . . . 57 LEU CB . 11454 1 223 . 1 1 60 60 LEU N N 15 124.02 0.05 . 1 . . . . 57 LEU N . 11454 1 224 . 1 1 61 61 VAL H H 1 7.86 0.01 . 1 . . . . 58 VAL H . 11454 1 225 . 1 1 61 61 VAL CA C 13 62.03 0.1 . 1 . . . . 58 VAL CA . 11454 1 226 . 1 1 61 61 VAL CB C 13 32.51 0.1 . 1 . . . . 58 VAL CB . 11454 1 227 . 1 1 61 61 VAL N N 15 122.13 0.05 . 1 . . . . 58 VAL N . 11454 1 228 . 1 1 62 62 GLN H H 1 8.26 0.01 . 1 . . . . 59 GLN H . 11454 1 229 . 1 1 62 62 GLN CA C 13 55.74 0.1 . 1 . . . . 59 GLN CA . 11454 1 230 . 1 1 62 62 GLN CB C 13 29.16 0.1 . 1 . . . . 59 GLN CB . 11454 1 231 . 1 1 62 62 GLN N N 15 125.10 0.05 . 1 . . . . 59 GLN N . 11454 1 232 . 1 1 63 63 GLY H H 1 8.22 0.01 . 1 . . . . 60 GLY H . 11454 1 233 . 1 1 63 63 GLY CA C 13 45.13 0.1 . 1 . . . . 60 GLY CA . 11454 1 234 . 1 1 63 63 GLY N N 15 110.90 0.05 . 1 . . . . 60 GLY N . 11454 1 235 . 1 1 64 64 GLY H H 1 8.00 0.01 . 1 . . . . 61 GLY H . 11454 1 236 . 1 1 64 64 GLY CA C 13 45.12 0.1 . 1 . . . . 61 GLY CA . 11454 1 237 . 1 1 64 64 GLY N N 15 108.31 0.05 . 1 . . . . 61 GLY N . 11454 1 238 . 1 1 65 65 GLN H H 1 7.96 0.01 . 1 . . . . 62 GLN H . 11454 1 239 . 1 1 65 65 GLN CA C 13 55.78 0.1 . 1 . . . . 62 GLN CA . 11454 1 240 . 1 1 65 65 GLN CB C 13 29.21 0.1 . 1 . . . . 62 GLN CB . 11454 1 241 . 1 1 65 65 GLN N N 15 119.81 0.05 . 1 . . . . 62 GLN N . 11454 1 242 . 1 1 66 66 ALA H H 1 8.03 0.01 . 1 . . . . 63 ALA H . 11454 1 243 . 1 1 66 66 ALA CA C 13 52.50 0.1 . 1 . . . . 63 ALA CA . 11454 1 244 . 1 1 66 66 ALA CB C 13 18.73 0.1 . 1 . . . . 63 ALA CB . 11454 1 245 . 1 1 66 66 ALA N N 15 125.12 0.05 . 1 . . . . 63 ALA N . 11454 1 246 . 1 1 67 67 LEU H H 1 7.80 0.01 . 1 . . . . 64 LEU H . 11454 1 247 . 1 1 67 67 LEU CA C 13 55.05 0.1 . 1 . . . . 64 LEU CA . 11454 1 248 . 1 1 67 67 LEU N N 15 121.15 0.05 . 1 . . . . 64 LEU N . 11454 1 249 . 1 1 68 68 GLN CA C 13 55.72 0.1 . 1 . . . . 65 GLN CA . 11454 1 250 . 1 1 68 68 GLN CB C 13 29.12 0.1 . 1 . . . . 65 GLN CB . 11454 1 251 . 1 1 69 69 ALA H H 1 7.91 0.01 . 1 . . . . 66 ALA H . 11454 1 252 . 1 1 69 69 ALA CA C 13 52.46 0.1 . 1 . . . . 66 ALA CA . 11454 1 253 . 1 1 69 69 ALA CB C 13 18.72 0.1 . 1 . . . . 66 ALA CB . 11454 1 254 . 1 1 69 69 ALA N N 15 124.85 0.05 . 1 . . . . 66 ALA N . 11454 1 255 . 1 1 70 70 LEU H H 1 7.84 0.01 . 1 . . . . 67 LEU H . 11454 1 256 . 1 1 70 70 LEU CA C 13 55.25 0.1 . 1 . . . . 67 LEU CA . 11454 1 257 . 1 1 70 70 LEU CB C 13 41.90 0.1 . 1 . . . . 67 LEU CB . 11454 1 258 . 1 1 70 70 LEU N N 15 121.12 0.05 . 1 . . . . 67 LEU N . 11454 1 259 . 1 1 71 71 GLN H H 1 7.92 0.01 . 1 . . . . 68 GLN H . 11454 1 260 . 1 1 71 71 GLN CA C 13 55.22 0.1 . 1 . . . . 68 GLN CA . 11454 1 261 . 1 1 71 71 GLN CB C 13 29.23 0.1 . 1 . . . . 68 GLN CB . 11454 1 262 . 1 1 71 71 GLN N N 15 120.90 0.05 . 1 . . . . 68 GLN N . 11454 1 263 . 1 1 72 72 ALA H H 1 7.93 0.01 . 1 . . . . 69 ALA H . 11454 1 264 . 1 1 72 72 ALA CA C 13 51.94 0.1 . 1 . . . . 69 ALA CA . 11454 1 265 . 1 1 72 72 ALA CB C 13 19.03 0.1 . 1 . . . . 69 ALA CB . 11454 1 266 . 1 1 72 72 ALA N N 15 125.47 0.05 . 1 . . . . 69 ALA N . 11454 1 267 . 1 1 73 73 ALA H H 1 7.95 0.01 . 1 . . . . 70 ALA H . 11454 1 268 . 1 1 73 73 ALA CA C 13 50.28 0.1 . 1 . . . . 70 ALA CA . 11454 1 269 . 1 1 73 73 ALA CB C 13 17.63 0.1 . 1 . . . . 70 ALA CB . 11454 1 270 . 1 1 73 73 ALA N N 15 124.89 0.05 . 1 . . . . 70 ALA N . 11454 1 271 . 1 1 74 74 PRO CA C 13 62.64 0.1 . 1 . . . . 71 PRO CA . 11454 1 272 . 1 1 74 74 PRO CB C 13 31.82 0.1 . 1 . . . . 71 PRO CB . 11454 1 273 . 1 1 75 75 LEU H H 1 8.11 0.01 . 1 . . . . 72 LEU H . 11454 1 274 . 1 1 75 75 LEU CA C 13 55.04 0.1 . 1 . . . . 72 LEU CA . 11454 1 275 . 1 1 75 75 LEU CB C 13 41.79 0.1 . 1 . . . . 72 LEU CB . 11454 1 276 . 1 1 75 75 LEU N N 15 122.37 0.05 . 1 . . . . 72 LEU N . 11454 1 277 . 1 1 76 76 SER H H 1 7.97 0.01 . 1 . . . . 73 SER H . 11454 1 278 . 1 1 76 76 SER CA C 13 58.39 0.1 . 1 . . . . 73 SER CA . 11454 1 279 . 1 1 76 76 SER CB C 13 63.53 0.1 . 1 . . . . 73 SER CB . 11454 1 280 . 1 1 76 76 SER N N 15 116.19 0.05 . 1 . . . . 73 SER N . 11454 1 281 . 1 1 77 77 GLY H H 1 8.12 0.01 . 1 . . . . 74 GLY H . 11454 1 282 . 1 1 77 77 GLY CA C 13 45.06 0.1 . 1 . . . . 74 GLY CA . 11454 1 283 . 1 1 77 77 GLY N N 15 110.61 0.05 . 1 . . . . 74 GLY N . 11454 1 284 . 1 1 78 78 GLN H H 1 7.82 0.01 . 1 . . . . 75 GLN H . 11454 1 285 . 1 1 78 78 GLN CA C 13 55.50 0.1 . 1 . . . . 75 GLN CA . 11454 1 286 . 1 1 78 78 GLN CB C 13 29.33 0.1 . 1 . . . . 75 GLN CB . 11454 1 287 . 1 1 78 78 GLN N N 15 119.50 0.05 . 1 . . . . 75 GLN N . 11454 1 288 . 1 1 79 79 THR H H 1 7.84 0.01 . 1 . . . . 76 THR H . 11454 1 289 . 1 1 79 79 THR CA C 13 61.64 0.1 . 1 . . . . 76 THR CA . 11454 1 290 . 1 1 79 79 THR CB C 13 69.71 0.1 . 1 . . . . 76 THR CB . 11454 1 291 . 1 1 79 79 THR N N 15 115.53 0.05 . 1 . . . . 76 THR N . 11454 1 292 . 1 1 80 80 PHE H H 1 8.00 0.01 . 1 . . . . 77 PHE H . 11454 1 293 . 1 1 80 80 PHE CA C 13 57.39 0.1 . 1 . . . . 77 PHE CA . 11454 1 294 . 1 1 80 80 PHE CB C 13 39.61 0.1 . 1 . . . . 77 PHE CB . 11454 1 295 . 1 1 80 80 PHE N N 15 122.42 0.05 . 1 . . . . 77 PHE N . 11454 1 296 . 1 1 81 81 THR H H 1 7.83 0.01 . 1 . . . . 78 THR H . 11454 1 297 . 1 1 81 81 THR CA C 13 61.53 0.1 . 1 . . . . 78 THR CA . 11454 1 298 . 1 1 81 81 THR CB C 13 69.61 0.1 . 1 . . . . 78 THR CB . 11454 1 299 . 1 1 81 81 THR N N 15 116.11 0.05 . 1 . . . . 78 THR N . 11454 1 300 . 1 1 82 82 THR H H 1 7.87 0.01 . 1 . . . . 79 THR H . 11454 1 301 . 1 1 82 82 THR CA C 13 61.70 0.1 . 1 . . . . 79 THR CA . 11454 1 302 . 1 1 82 82 THR CB C 13 69.49 0.1 . 1 . . . . 79 THR CB . 11454 1 303 . 1 1 82 82 THR N N 15 116.90 0.05 . 1 . . . . 79 THR N . 11454 1 304 . 1 1 83 83 GLN H H 1 8.09 0.01 . 1 . . . . 80 GLN H . 11454 1 305 . 1 1 83 83 GLN CA C 13 55.38 0.1 . 1 . . . . 80 GLN CA . 11454 1 306 . 1 1 83 83 GLN CB C 13 29.40 0.1 . 1 . . . . 80 GLN CB . 11454 1 307 . 1 1 83 83 GLN N N 15 122.39 0.05 . 1 . . . . 80 GLN N . 11454 1 308 . 1 1 84 84 ALA H H 1 8.05 0.01 . 1 . . . . 81 ALA H . 11454 1 309 . 1 1 84 84 ALA CA C 13 52.38 0.1 . 1 . . . . 81 ALA CA . 11454 1 310 . 1 1 84 84 ALA CB C 13 18.96 0.1 . 1 . . . . 81 ALA CB . 11454 1 311 . 1 1 84 84 ALA N N 15 125.70 0.05 . 1 . . . . 81 ALA N . 11454 1 312 . 1 1 85 85 ILE H H 1 7.85 0.01 . 1 . . . . 82 ILE H . 11454 1 313 . 1 1 85 85 ILE CA C 13 60.85 0.1 . 1 . . . . 82 ILE CA . 11454 1 314 . 1 1 85 85 ILE CB C 13 38.60 0.1 . 1 . . . . 82 ILE CB . 11454 1 315 . 1 1 85 85 ILE N N 15 120.51 0.05 . 1 . . . . 82 ILE N . 11454 1 316 . 1 1 86 86 SER H H 1 8.13 0.01 . 1 . . . . 83 SER H . 11454 1 317 . 1 1 86 86 SER CA C 13 57.82 0.1 . 1 . . . . 83 SER CA . 11454 1 318 . 1 1 86 86 SER CB C 13 63.68 0.1 . 1 . . . . 83 SER CB . 11454 1 319 . 1 1 86 86 SER N N 15 120.73 0.05 . 1 . . . . 83 SER N . 11454 1 320 . 1 1 87 87 GLN H H 1 8.32 0.01 . 1 . . . . 84 GLN H . 11454 1 321 . 1 1 87 87 GLN CA C 13 56.49 0.1 . 1 . . . . 84 GLN CA . 11454 1 322 . 1 1 87 87 GLN CB C 13 28.85 0.1 . 1 . . . . 84 GLN CB . 11454 1 323 . 1 1 87 87 GLN N N 15 122.68 0.05 . 1 . . . . 84 GLN N . 11454 1 324 . 1 1 88 88 GLU H H 1 8.14 0.01 . 1 . . . . 85 GLU H . 11454 1 325 . 1 1 88 88 GLU CA C 13 57.52 0.1 . 1 . . . . 85 GLU CA . 11454 1 326 . 1 1 88 88 GLU CB C 13 29.67 0.1 . 1 . . . . 85 GLU CB . 11454 1 327 . 1 1 88 88 GLU N N 15 121.11 0.05 . 1 . . . . 85 GLU N . 11454 1 328 . 1 1 89 89 THR H H 1 7.77 0.01 . 1 . . . . 86 THR H . 11454 1 329 . 1 1 89 89 THR CA C 13 62.95 0.1 . 1 . . . . 86 THR CA . 11454 1 330 . 1 1 89 89 THR CB C 13 69.10 0.1 . 1 . . . . 86 THR CB . 11454 1 331 . 1 1 89 89 THR N N 15 116.00 0.05 . 1 . . . . 86 THR N . 11454 1 332 . 1 1 90 90 LEU H H 1 7.85 0.01 . 1 . . . . 87 LEU H . 11454 1 333 . 1 1 90 90 LEU CA C 13 56.18 0.1 . 1 . . . . 87 LEU CA . 11454 1 334 . 1 1 90 90 LEU CB C 13 41.69 0.1 . 1 . . . . 87 LEU CB . 11454 1 335 . 1 1 90 90 LEU N N 15 123.67 0.05 . 1 . . . . 87 LEU N . 11454 1 336 . 1 1 91 91 GLN H H 1 7.95 0.01 . 1 . . . . 88 GLN H . 11454 1 337 . 1 1 91 91 GLN CA C 13 56.42 0.1 . 1 . . . . 88 GLN CA . 11454 1 338 . 1 1 91 91 GLN CB C 13 28.87 0.1 . 1 . . . . 88 GLN CB . 11454 1 339 . 1 1 91 91 GLN N N 15 119.70 0.05 . 1 . . . . 88 GLN N . 11454 1 340 . 1 1 92 92 ASN H H 1 7.89 0.01 . 1 . . . . 89 ASN H . 11454 1 341 . 1 1 92 92 ASN CA C 13 53.64 0.1 . 1 . . . . 89 ASN CA . 11454 1 342 . 1 1 92 92 ASN CB C 13 38.15 0.1 . 1 . . . . 89 ASN CB . 11454 1 343 . 1 1 92 92 ASN N N 15 118.82 0.05 . 1 . . . . 89 ASN N . 11454 1 344 . 1 1 93 93 LEU H H 1 7.83 0.01 . 1 . . . . 90 LEU H . 11454 1 345 . 1 1 93 93 LEU CA C 13 55.90 0.1 . 1 . . . . 90 LEU CA . 11454 1 346 . 1 1 93 93 LEU CB C 13 41.79 0.1 . 1 . . . . 90 LEU CB . 11454 1 347 . 1 1 93 93 LEU N N 15 122.00 0.05 . 1 . . . . 90 LEU N . 11454 1 348 . 1 1 94 94 GLN H H 1 7.84 0.01 . 1 . . . . 91 GLN H . 11454 1 349 . 1 1 94 94 GLN CA C 13 56.09 0.1 . 1 . . . . 91 GLN CA . 11454 1 350 . 1 1 94 94 GLN CB C 13 28.63 0.1 . 1 . . . . 91 GLN CB . 11454 1 351 . 1 1 94 94 GLN N N 15 119.80 0.05 . 1 . . . . 91 GLN N . 11454 1 352 . 1 1 95 95 LEU H H 1 7.69 0.01 . 1 . . . . 92 LEU H . 11454 1 353 . 1 1 95 95 LEU CA C 13 55.26 0.1 . 1 . . . . 92 LEU CA . 11454 1 354 . 1 1 95 95 LEU CB C 13 41.96 0.1 . 1 . . . . 92 LEU CB . 11454 1 355 . 1 1 95 95 LEU N N 15 122.06 0.05 . 1 . . . . 92 LEU N . 11454 1 356 . 1 1 96 96 GLN H H 1 7.82 0.01 . 1 . . . . 93 GLN H . 11454 1 357 . 1 1 96 96 GLN CA C 13 55.37 0.1 . 1 . . . . 93 GLN CA . 11454 1 358 . 1 1 96 96 GLN CB C 13 29.20 0.1 . 1 . . . . 93 GLN CB . 11454 1 359 . 1 1 96 96 GLN N N 15 119.97 0.05 . 1 . . . . 93 GLN N . 11454 1 360 . 1 1 97 97 ALA H H 1 7.85 0.01 . 1 . . . . 94 ALA H . 11454 1 361 . 1 1 97 97 ALA CA C 13 52.21 0.1 . 1 . . . . 94 ALA CA . 11454 1 362 . 1 1 97 97 ALA CB C 13 18.95 0.1 . 1 . . . . 94 ALA CB . 11454 1 363 . 1 1 97 97 ALA N N 15 125.03 0.05 . 1 . . . . 94 ALA N . 11454 1 364 . 1 1 98 98 VAL H H 1 7.87 0.01 . 1 . . . . 95 VAL H . 11454 1 365 . 1 1 98 98 VAL CA C 13 59.75 0.1 . 1 . . . . 95 VAL CA . 11454 1 366 . 1 1 98 98 VAL CB C 13 32.28 0.1 . 1 . . . . 95 VAL CB . 11454 1 367 . 1 1 98 98 VAL N N 15 121.43 0.05 . 1 . . . . 95 VAL N . 11454 1 368 . 1 1 99 99 PRO CA C 13 63.01 0.1 . 1 . . . . 96 PRO CA . 11454 1 369 . 1 1 99 99 PRO CB C 13 31.92 0.1 . 1 . . . . 96 PRO CB . 11454 1 370 . 1 1 100 100 ASN H H 1 8.30 0.01 . 1 . . . . 97 ASN H . 11454 1 371 . 1 1 100 100 ASN CA C 13 53.33 0.1 . 1 . . . . 97 ASN CA . 11454 1 372 . 1 1 100 100 ASN CB C 13 38.47 0.1 . 1 . . . . 97 ASN CB . 11454 1 373 . 1 1 100 100 ASN N N 15 118.95 0.05 . 1 . . . . 97 ASN N . 11454 1 374 . 1 1 101 101 SER H H 1 7.95 0.01 . 1 . . . . 98 SER H . 11454 1 375 . 1 1 101 101 SER CA C 13 58.07 0.1 . 1 . . . . 98 SER CA . 11454 1 376 . 1 1 101 101 SER CB C 13 63.67 0.1 . 1 . . . . 98 SER CB . 11454 1 377 . 1 1 101 101 SER N N 15 115.82 0.05 . 1 . . . . 98 SER N . 11454 1 378 . 1 1 102 102 GLY H H 1 7.90 0.01 . 1 . . . . 99 GLY H . 11454 1 379 . 1 1 102 102 GLY CA C 13 44.33 0.1 . 1 . . . . 99 GLY CA . 11454 1 380 . 1 1 102 102 GLY N N 15 110.65 0.05 . 1 . . . . 99 GLY N . 11454 1 381 . 1 1 103 103 PRO CA C 13 62.60 0.1 . 1 . . . . 100 PRO CA . 11454 1 382 . 1 1 103 103 PRO CB C 13 32.06 0.1 . 1 . . . . 100 PRO CB . 11454 1 383 . 1 1 104 104 ILE H H 1 7.98 0.01 . 1 . . . . 101 ILE H . 11454 1 384 . 1 1 104 104 ILE CA C 13 60.94 0.1 . 1 . . . . 101 ILE CA . 11454 1 385 . 1 1 104 104 ILE CB C 13 38.31 0.1 . 1 . . . . 101 ILE CB . 11454 1 386 . 1 1 104 104 ILE N N 15 121.56 0.05 . 1 . . . . 101 ILE N . 11454 1 387 . 1 1 105 105 ILE H H 1 8.00 0.01 . 1 . . . . 102 ILE H . 11454 1 388 . 1 1 105 105 ILE CA C 13 60.23 0.1 . 1 . . . . 102 ILE CA . 11454 1 389 . 1 1 105 105 ILE CB C 13 38.36 0.1 . 1 . . . . 102 ILE CB . 11454 1 390 . 1 1 105 105 ILE N N 15 127.20 0.05 . 1 . . . . 102 ILE N . 11454 1 391 . 1 1 109 109 PRO CA C 13 62.65 0.1 . 1 . . . . 106 PRO CA . 11454 1 392 . 1 1 109 109 PRO CB C 13 31.75 0.1 . 1 . . . . 106 PRO CB . 11454 1 393 . 1 1 110 110 THR H H 1 8.07 0.01 . 1 . . . . 107 THR H . 11454 1 394 . 1 1 110 110 THR CA C 13 61.67 0.1 . 1 . . . . 107 THR CA . 11454 1 395 . 1 1 110 110 THR CB C 13 70.04 0.1 . 1 . . . . 107 THR CB . 11454 1 396 . 1 1 110 110 THR N N 15 116.20 0.05 . 1 . . . . 107 THR N . 11454 1 397 . 1 1 111 111 VAL H H 1 8.00 0.01 . 1 . . . . 108 VAL H . 11454 1 398 . 1 1 111 111 VAL CA C 13 61.75 0.1 . 1 . . . . 108 VAL CA . 11454 1 399 . 1 1 111 111 VAL CB C 13 32.55 0.1 . 1 . . . . 108 VAL CB . 11454 1 400 . 1 1 111 111 VAL N N 15 123.78 0.05 . 1 . . . . 108 VAL N . 11454 1 401 . 1 1 112 112 GLY H H 1 8.11 0.01 . 1 . . . . 109 GLY H . 11454 1 402 . 1 1 112 112 GLY CA C 13 44.31 0.1 . 1 . . . . 109 GLY CA . 11454 1 403 . 1 1 112 112 GLY N N 15 113.69 0.05 . 1 . . . . 109 GLY N . 11454 1 404 . 1 1 113 113 PRO CA C 13 63.74 0.1 . 1 . . . . 110 PRO CA . 11454 1 405 . 1 1 113 113 PRO CB C 13 31.66 0.1 . 1 . . . . 110 PRO CB . 11454 1 406 . 1 1 114 114 ASN H H 1 8.12 0.01 . 1 . . . . 111 ASN H . 11454 1 407 . 1 1 114 114 ASN CA C 13 52.73 0.1 . 1 . . . . 111 ASN CA . 11454 1 408 . 1 1 114 114 ASN CB C 13 38.15 0.1 . 1 . . . . 111 ASN CB . 11454 1 409 . 1 1 114 114 ASN N N 15 116.46 0.05 . 1 . . . . 111 ASN N . 11454 1 410 . 1 1 115 115 GLY H H 1 7.82 0.01 . 1 . . . . 112 GLY H . 11454 1 411 . 1 1 115 115 GLY CA C 13 45.24 0.1 . 1 . . . . 112 GLY CA . 11454 1 412 . 1 1 115 115 GLY N N 15 107.93 0.05 . 1 . . . . 112 GLY N . 11454 1 413 . 1 1 116 116 GLN H H 1 7.62 0.01 . 1 . . . . 113 GLN H . 11454 1 414 . 1 1 116 116 GLN CA C 13 55.40 0.1 . 1 . . . . 113 GLN CA . 11454 1 415 . 1 1 116 116 GLN CB C 13 29.15 0.1 . 1 . . . . 113 GLN CB . 11454 1 416 . 1 1 116 116 GLN N N 15 119.72 0.05 . 1 . . . . 113 GLN N . 11454 1 417 . 1 1 117 117 VAL H H 1 8.08 0.01 . 1 . . . . 114 VAL H . 11454 1 418 . 1 1 117 117 VAL CA C 13 62.30 0.1 . 1 . . . . 114 VAL CA . 11454 1 419 . 1 1 117 117 VAL CB C 13 32.54 0.1 . 1 . . . . 114 VAL CB . 11454 1 420 . 1 1 117 117 VAL N N 15 123.41 0.05 . 1 . . . . 114 VAL N . 11454 1 421 . 1 1 118 118 SER CB C 13 64.08 0.1 . 1 . . . . 115 SER CB . 11454 1 422 . 1 1 119 119 TRP H H 1 8.13 0.01 . 1 . . . . 116 TRP H . 11454 1 423 . 1 1 119 119 TRP CA C 13 57.85 0.1 . 1 . . . . 116 TRP CA . 11454 1 424 . 1 1 119 119 TRP CB C 13 29.49 0.1 . 1 . . . . 116 TRP CB . 11454 1 425 . 1 1 119 119 TRP N N 15 122.78 0.05 . 1 . . . . 116 TRP N . 11454 1 426 . 1 1 120 120 GLN CA C 13 55.43 0.1 . 1 . . . . 117 GLN CA . 11454 1 427 . 1 1 120 120 GLN CB C 13 29.55 0.1 . 1 . . . . 117 GLN CB . 11454 1 428 . 1 1 121 121 THR H H 1 7.83 0.01 . 1 . . . . 118 THR H . 11454 1 429 . 1 1 121 121 THR CA C 13 58.65 0.1 . 1 . . . . 118 THR CA . 11454 1 430 . 1 1 121 121 THR CB C 13 70.19 0.1 . 1 . . . . 118 THR CB . 11454 1 431 . 1 1 121 121 THR N N 15 116.45 0.05 . 1 . . . . 118 THR N . 11454 1 432 . 1 1 125 125 GLN CA C 13 56.30 0.1 . 1 . . . . 122 GLN CA . 11454 1 433 . 1 1 125 125 GLN CB C 13 28.92 0.1 . 1 . . . . 122 GLN CB . 11454 1 434 . 1 1 126 126 ASN H H 1 7.96 0.01 . 1 . . . . 123 ASN H . 11454 1 435 . 1 1 126 126 ASN CA C 13 53.28 0.1 . 1 . . . . 123 ASN CA . 11454 1 436 . 1 1 126 126 ASN CB C 13 38.33 0.1 . 1 . . . . 123 ASN CB . 11454 1 437 . 1 1 126 126 ASN N N 15 118.77 0.05 . 1 . . . . 123 ASN N . 11454 1 438 . 1 1 127 127 LEU H H 1 7.77 0.01 . 1 . . . . 124 LEU H . 11454 1 439 . 1 1 127 127 LEU CA C 13 55.30 0.1 . 1 . . . . 124 LEU CA . 11454 1 440 . 1 1 127 127 LEU CB C 13 41.93 0.1 . 1 . . . . 124 LEU CB . 11454 1 441 . 1 1 127 127 LEU N N 15 121.81 0.05 . 1 . . . . 124 LEU N . 11454 1 442 . 1 1 128 128 GLN CA C 13 55.60 0.1 . 1 . . . . 125 GLN CA . 11454 1 443 . 1 1 128 128 GLN CB C 13 28.91 0.1 . 1 . . . . 125 GLN CB . 11454 1 444 . 1 1 129 129 VAL H H 1 7.72 0.01 . 1 . . . . 126 VAL H . 11454 1 445 . 1 1 129 129 VAL CA C 13 62.25 0.1 . 1 . . . . 126 VAL CA . 11454 1 446 . 1 1 129 129 VAL CB C 13 32.49 0.1 . 1 . . . . 126 VAL CB . 11454 1 447 . 1 1 129 129 VAL N N 15 121.16 0.05 . 1 . . . . 126 VAL N . 11454 1 448 . 1 1 130 130 GLN H H 1 8.10 0.01 . 1 . . . . 127 GLN H . 11454 1 449 . 1 1 130 130 GLN CA C 13 55.41 0.1 . 1 . . . . 127 GLN CA . 11454 1 450 . 1 1 130 130 GLN CB C 13 29.26 0.1 . 1 . . . . 127 GLN CB . 11454 1 451 . 1 1 130 130 GLN N N 15 123.74 0.05 . 1 . . . . 127 GLN N . 11454 1 452 . 1 1 131 131 ASN H H 1 8.19 0.01 . 1 . . . . 128 ASN H . 11454 1 453 . 1 1 131 131 ASN CA C 13 51.06 0.1 . 1 . . . . 128 ASN CA . 11454 1 454 . 1 1 131 131 ASN CB C 13 38.43 0.1 . 1 . . . . 128 ASN CB . 11454 1 455 . 1 1 131 131 ASN N N 15 120.71 0.05 . 1 . . . . 128 ASN N . 11454 1 456 . 1 1 132 132 PRO CA C 13 63.49 0.1 . 1 . . . . 129 PRO CA . 11454 1 457 . 1 1 132 132 PRO CB C 13 31.83 0.1 . 1 . . . . 129 PRO CB . 11454 1 458 . 1 1 133 133 GLN CA C 13 55.47 0.1 . 1 . . . . 130 GLN CA . 11454 1 459 . 1 1 133 133 GLN CB C 13 29.03 0.1 . 1 . . . . 130 GLN CB . 11454 1 460 . 1 1 134 134 ALA H H 1 7.83 0.01 . 1 . . . . 131 ALA H . 11454 1 461 . 1 1 134 134 ALA CA C 13 52.40 0.1 . 1 . . . . 131 ALA CA . 11454 1 462 . 1 1 134 134 ALA CB C 13 18.94 0.1 . 1 . . . . 131 ALA CB . 11454 1 463 . 1 1 134 134 ALA N N 15 124.96 0.05 . 1 . . . . 131 ALA N . 11454 1 464 . 1 1 135 135 GLN H H 1 8.02 0.01 . 1 . . . . 132 GLN H . 11454 1 465 . 1 1 135 135 GLN CA C 13 55.48 0.1 . 1 . . . . 132 GLN CA . 11454 1 466 . 1 1 135 135 GLN CB C 13 29.27 0.1 . 1 . . . . 132 GLN CB . 11454 1 467 . 1 1 135 135 GLN N N 15 119.45 0.05 . 1 . . . . 132 GLN N . 11454 1 468 . 1 1 136 136 THR H H 1 7.92 0.01 . 1 . . . . 133 THR H . 11454 1 469 . 1 1 136 136 THR CA C 13 61.92 0.1 . 1 . . . . 133 THR CA . 11454 1 470 . 1 1 136 136 THR CB C 13 69.55 0.1 . 1 . . . . 133 THR CB . 11454 1 471 . 1 1 136 136 THR N N 15 116.78 0.05 . 1 . . . . 133 THR N . 11454 1 472 . 1 1 137 137 ILE H H 1 7.96 0.01 . 1 . . . . 134 ILE H . 11454 1 473 . 1 1 137 137 ILE CA C 13 60.79 0.1 . 1 . . . . 134 ILE CA . 11454 1 474 . 1 1 137 137 ILE CB C 13 38.61 0.1 . 1 . . . . 134 ILE CB . 11454 1 475 . 1 1 137 137 ILE N N 15 124.38 0.05 . 1 . . . . 134 ILE N . 11454 1 476 . 1 1 138 138 THR H H 1 8.02 0.01 . 1 . . . . 135 THR H . 11454 1 477 . 1 1 138 138 THR CA C 13 61.64 0.1 . 1 . . . . 135 THR CA . 11454 1 478 . 1 1 138 138 THR CB C 13 69.49 0.1 . 1 . . . . 135 THR CB . 11454 1 479 . 1 1 138 138 THR N N 15 120.61 0.05 . 1 . . . . 135 THR N . 11454 1 480 . 1 1 139 139 LEU H H 1 8.04 0.01 . 1 . . . . 136 LEU H . 11454 1 481 . 1 1 139 139 LEU CA C 13 54.43 0.1 . 1 . . . . 136 LEU CA . 11454 1 482 . 1 1 139 139 LEU CB C 13 42.19 0.1 . 1 . . . . 136 LEU CB . 11454 1 483 . 1 1 139 139 LEU N N 15 126.12 0.05 . 1 . . . . 136 LEU N . 11454 1 484 . 1 1 140 140 ALA H H 1 7.99 0.01 . 1 . . . . 137 ALA H . 11454 1 485 . 1 1 140 140 ALA CA C 13 50.25 0.1 . 1 . . . . 137 ALA CA . 11454 1 486 . 1 1 140 140 ALA CB C 13 17.79 0.1 . 1 . . . . 137 ALA CB . 11454 1 487 . 1 1 140 140 ALA N N 15 126.69 0.05 . 1 . . . . 137 ALA N . 11454 1 488 . 1 1 141 141 PRO CA C 13 62.77 0.1 . 1 . . . . 138 PRO CA . 11454 1 489 . 1 1 141 141 PRO CB C 13 31.94 0.1 . 1 . . . . 138 PRO CB . 11454 1 490 . 1 1 142 142 MET H H 1 8.17 0.01 . 1 . . . . 139 MET H . 11454 1 491 . 1 1 142 142 MET CA C 13 55.48 0.1 . 1 . . . . 139 MET CA . 11454 1 492 . 1 1 142 142 MET CB C 13 32.54 0.1 . 1 . . . . 139 MET CB . 11454 1 493 . 1 1 142 142 MET N N 15 120.65 0.05 . 1 . . . . 139 MET N . 11454 1 494 . 1 1 143 143 GLN H H 1 8.10 0.01 . 1 . . . . 140 GLN H . 11454 1 495 . 1 1 143 143 GLN CA C 13 55.70 0.1 . 1 . . . . 140 GLN CA . 11454 1 496 . 1 1 143 143 GLN CB C 13 29.30 0.1 . 1 . . . . 140 GLN CB . 11454 1 497 . 1 1 143 143 GLN N N 15 121.78 0.05 . 1 . . . . 140 GLN N . 11454 1 498 . 1 1 144 144 GLY H H 1 8.15 0.01 . 1 . . . . 141 GLY H . 11454 1 499 . 1 1 144 144 GLY CA C 13 44.99 0.1 . 1 . . . . 141 GLY CA . 11454 1 500 . 1 1 144 144 GLY N N 15 110.57 0.05 . 1 . . . . 141 GLY N . 11454 1 501 . 1 1 145 145 VAL H H 1 7.65 0.01 . 1 . . . . 142 VAL H . 11454 1 502 . 1 1 145 145 VAL CA C 13 61.91 0.1 . 1 . . . . 142 VAL CA . 11454 1 503 . 1 1 145 145 VAL CB C 13 32.65 0.1 . 1 . . . . 142 VAL CB . 11454 1 504 . 1 1 145 145 VAL N N 15 119.07 0.05 . 1 . . . . 142 VAL N . 11454 1 505 . 1 1 146 146 SER H H 1 8.12 0.01 . 1 . . . . 143 SER H . 11454 1 506 . 1 1 146 146 SER CA C 13 57.88 0.1 . 1 . . . . 143 SER CA . 11454 1 507 . 1 1 146 146 SER CB C 13 63.41 0.1 . 1 . . . . 143 SER CB . 11454 1 508 . 1 1 146 146 SER N N 15 119.80 0.05 . 1 . . . . 143 SER N . 11454 1 509 . 1 1 147 147 LEU H H 1 8.09 0.01 . 1 . . . . 144 LEU H . 11454 1 510 . 1 1 147 147 LEU CA C 13 55.17 0.1 . 1 . . . . 144 LEU CA . 11454 1 511 . 1 1 147 147 LEU CB C 13 41.96 0.1 . 1 . . . . 144 LEU CB . 11454 1 512 . 1 1 147 147 LEU N N 15 124.57 0.05 . 1 . . . . 144 LEU N . 11454 1 513 . 1 1 148 148 GLY H H 1 8.09 0.01 . 1 . . . . 145 GLY H . 11454 1 514 . 1 1 148 148 GLY CA C 13 45.00 0.1 . 1 . . . . 145 GLY CA . 11454 1 515 . 1 1 148 148 GLY N N 15 109.42 0.05 . 1 . . . . 145 GLY N . 11454 1 516 . 1 1 149 149 GLN H H 1 7.85 0.01 . 1 . . . . 146 GLN H . 11454 1 517 . 1 1 149 149 GLN CA C 13 55.29 0.1 . 1 . . . . 146 GLN CA . 11454 1 518 . 1 1 149 149 GLN CB C 13 29.44 0.1 . 1 . . . . 146 GLN CB . 11454 1 519 . 1 1 149 149 GLN N N 15 119.49 0.05 . 1 . . . . 146 GLN N . 11454 1 520 . 1 1 150 150 THR H H 1 8.05 0.01 . 1 . . . . 147 THR H . 11454 1 521 . 1 1 150 150 THR CA C 13 59.79 0.1 . 1 . . . . 147 THR CA . 11454 1 522 . 1 1 150 150 THR CB C 13 69.38 0.1 . 1 . . . . 147 THR CB . 11454 1 523 . 1 1 150 150 THR N N 15 118.51 0.05 . 1 . . . . 147 THR N . 11454 1 524 . 1 1 151 151 PRO CA C 13 63.53 0.1 . 1 . . . . 148 PRO CA . 11454 1 525 . 1 1 151 151 PRO CB C 13 31.82 0.1 . 1 . . . . 148 PRO CB . 11454 1 526 . 1 1 152 152 GLY H H 1 8.23 0.01 . 1 . . . . 149 GLY H . 11454 1 527 . 1 1 152 152 GLY CA C 13 44.98 0.1 . 1 . . . . 149 GLY CA . 11454 1 528 . 1 1 152 152 GLY N N 15 109.85 0.05 . 1 . . . . 149 GLY N . 11454 1 529 . 1 1 153 153 GLY H H 1 7.91 0.01 . 1 . . . . 150 GLY H . 11454 1 530 . 1 1 153 153 GLY CA C 13 44.93 0.1 . 1 . . . . 150 GLY CA . 11454 1 531 . 1 1 153 153 GLY N N 15 108.70 0.05 . 1 . . . . 150 GLY N . 11454 1 532 . 1 1 154 154 THR H H 1 7.83 0.01 . 1 . . . . 151 THR H . 11454 1 533 . 1 1 154 154 THR CA C 13 61.52 0.1 . 1 . . . . 151 THR CA . 11454 1 534 . 1 1 154 154 THR CB C 13 69.83 0.1 . 1 . . . . 151 THR CB . 11454 1 535 . 1 1 154 154 THR N N 15 113.86 0.05 . 1 . . . . 151 THR N . 11454 1 536 . 1 1 155 155 LEU H H 1 8.07 0.01 . 1 . . . . 152 LEU H . 11454 1 537 . 1 1 155 155 LEU CA C 13 55.25 0.1 . 1 . . . . 152 LEU CA . 11454 1 538 . 1 1 155 155 LEU CB C 13 41.89 0.1 . 1 . . . . 152 LEU CB . 11454 1 539 . 1 1 155 155 LEU N N 15 124.51 0.05 . 1 . . . . 152 LEU N . 11454 1 540 . 1 1 156 156 GLU H H 1 8.00 0.01 . 1 . . . . 153 GLU H . 11454 1 541 . 1 1 156 156 GLU CA C 13 56.39 0.1 . 1 . . . . 153 GLU CA . 11454 1 542 . 1 1 156 156 GLU CB C 13 29.95 0.1 . 1 . . . . 153 GLU CB . 11454 1 543 . 1 1 156 156 GLU N N 15 121.32 0.05 . 1 . . . . 153 GLU N . 11454 1 544 . 1 1 157 157 ASP H H 1 7.85 0.01 . 1 . . . . 154 ASP H . 11454 1 545 . 1 1 157 157 ASP CA C 13 54.03 0.1 . 1 . . . . 154 ASP CA . 11454 1 546 . 1 1 157 157 ASP CB C 13 40.84 0.1 . 1 . . . . 154 ASP CB . 11454 1 547 . 1 1 157 157 ASP N N 15 120.89 0.05 . 1 . . . . 154 ASP N . 11454 1 548 . 1 1 158 158 TYR H H 1 7.70 0.01 . 1 . . . . 155 TYR H . 11454 1 549 . 1 1 158 158 TYR CA C 13 57.92 0.1 . 1 . . . . 155 TYR CA . 11454 1 550 . 1 1 158 158 TYR CB C 13 38.37 0.1 . 1 . . . . 155 TYR CB . 11454 1 551 . 1 1 158 158 TYR N N 15 120.82 0.05 . 1 . . . . 155 TYR N . 11454 1 552 . 1 1 159 159 LYS H H 1 7.71 0.01 . 1 . . . . 156 LYS H . 11454 1 553 . 1 1 159 159 LYS CA C 13 55.64 0.1 . 1 . . . . 156 LYS CA . 11454 1 554 . 1 1 159 159 LYS CB C 13 33.20 0.1 . 1 . . . . 156 LYS CB . 11454 1 555 . 1 1 159 159 LYS N N 15 124.07 0.05 . 1 . . . . 156 LYS N . 11454 1 556 . 1 1 160 160 ASP H H 1 7.93 0.01 . 1 . . . . 157 ASP H . 11454 1 557 . 1 1 160 160 ASP CA C 13 54.26 0.1 . 1 . . . . 157 ASP CA . 11454 1 558 . 1 1 160 160 ASP CB C 13 40.87 0.1 . 1 . . . . 157 ASP CB . 11454 1 559 . 1 1 160 160 ASP N N 15 121.60 0.05 . 1 . . . . 157 ASP N . 11454 1 560 . 1 1 161 161 ASP H H 1 7.93 0.01 . 1 . . . . 158 ASP H . 11454 1 561 . 1 1 161 161 ASP CA C 13 54.34 0.1 . 1 . . . . 158 ASP CA . 11454 1 562 . 1 1 161 161 ASP CB C 13 40.83 0.1 . 1 . . . . 158 ASP CB . 11454 1 563 . 1 1 161 161 ASP N N 15 120.46 0.05 . 1 . . . . 158 ASP N . 11454 1 564 . 1 1 163 163 ASP CA C 13 54.30 0.1 . 1 . . . . 160 ASP CA . 11454 1 565 . 1 1 163 163 ASP CB C 13 40.65 0.1 . 1 . . . . 160 ASP CB . 11454 1 566 . 1 1 164 164 LYS H H 1 7.94 0.01 . 1 . . . . 161 LYS H . 11454 1 567 . 1 1 164 164 LYS CA C 13 56.52 0.1 . 1 . . . . 161 LYS CA . 11454 1 568 . 1 1 164 164 LYS CB C 13 32.01 0.1 . 1 . . . . 161 LYS CB . 11454 1 569 . 1 1 164 164 LYS N N 15 121.15 0.05 . 1 . . . . 161 LYS N . 11454 1 570 . 1 1 165 165 GLY H H 1 8.04 0.01 . 1 . . . . 162 GLY H . 11454 1 571 . 1 1 165 165 GLY CA C 13 45.23 0.1 . 1 . . . . 162 GLY CA . 11454 1 572 . 1 1 165 165 GLY N N 15 108.64 0.05 . 1 . . . . 162 GLY N . 11454 1 573 . 1 1 166 166 SER H H 1 7.75 0.01 . 1 . . . . 163 SER H . 11454 1 574 . 1 1 166 166 SER CA C 13 58.38 0.1 . 1 . . . . 163 SER CA . 11454 1 575 . 1 1 166 166 SER CB C 13 63.32 0.1 . 1 . . . . 163 SER CB . 11454 1 576 . 1 1 166 166 SER N N 15 115.21 0.05 . 1 . . . . 163 SER N . 11454 1 577 . 1 1 167 167 HIS H H 1 7.96 0.01 . 1 . . . . 164 HIS H . 11454 1 578 . 1 1 167 167 HIS CA C 13 55.90 0.1 . 1 . . . . 164 HIS CA . 11454 1 579 . 1 1 167 167 HIS CB C 13 30.05 0.1 . 1 . . . . 164 HIS CB . 11454 1 580 . 1 1 167 167 HIS N N 15 120.61 0.05 . 1 . . . . 164 HIS N . 11454 1 581 . 1 1 168 168 HIS H H 1 7.75 0.01 . 1 . . . . 165 HIS H . 11454 1 582 . 1 1 168 168 HIS CA C 13 55.96 0.1 . 1 . . . . 165 HIS CA . 11454 1 583 . 1 1 168 168 HIS CB C 13 30.07 0.1 . 1 . . . . 165 HIS CB . 11454 1 584 . 1 1 168 168 HIS N N 15 119.71 0.05 . 1 . . . . 165 HIS N . 11454 1 585 . 1 1 171 171 HIS CA C 13 55.80 0.1 . 1 . . . . 168 HIS CA . 11454 1 586 . 1 1 171 171 HIS CB C 13 30.22 0.1 . 1 . . . . 168 HIS CB . 11454 1 587 . 1 1 172 172 HIS H H 1 7.71 0.01 . 1 . . . . 169 HIS H . 11454 1 588 . 1 1 172 172 HIS CA C 13 57.19 0.1 . 1 . . . . 169 HIS CA . 11454 1 589 . 1 1 172 172 HIS CB C 13 30.22 0.1 . 1 . . . . 169 HIS CB . 11454 1 590 . 1 1 172 172 HIS N N 15 125.38 0.05 . 1 . . . . 169 HIS N . 11454 1 stop_ save_