data_51211 ####################### # Entry information # ####################### save_entry_information_1 _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information_1 _Entry.ID 51211 _Entry.Title ; 13C/15N/1H chemical shift assignments for Human Cytomegalovirus Protease delta221 ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2021-12-03 _Entry.Accession_date 2021-12-03 _Entry.Last_release_date 2021-12-03 _Entry.Original_release_date 2021-12-03 _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 _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 ; Backbone and side-chain chemical shift assignments for human cytomegalovirus protease delta221 (residues 1-221). Residues 222-256 truncated from wild-type sequence. ; _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 Gregory Lee . M. . 0000-0002-2398-6648 51211 2 Charles Craik . S. . 0000-0001-7704-9185 51211 stop_ loop_ _Entry_src.ID _Entry_src.Project_name _Entry_src.Organization_full_name _Entry_src.Organization_initials _Entry_src.Entry_ID 1 . 'Craik Lab; Dept. of Pharmaceutical Chemistry, UC San Francisco' . 51211 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 51211 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 695 51211 '15N chemical shifts' 203 51211 '1H chemical shifts' 592 51211 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 . . 2022-04-07 . original BMRB . 51211 stop_ save_ ############### # Citations # ############### save_citations_1 _Citation.Sf_category citations _Citation.Sf_framecode citations_1 _Citation.Entry_ID 51211 _Citation.ID 1 _Citation.Name 'entry citation 1' _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.PubMed_ID 35364007 _Citation.DOI . _Citation.Full_citation . _Citation.Title ; Inhibiting a dynamic viral protease by targeting a non-catalytic cysteine ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'Cell Chem. Biol.' _Citation.Journal_name_full 'Cell Chemical Biology' _Citation.Journal_volume 29 _Citation.Journal_issue 5 _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 785 _Citation.Page_last 798 _Citation.Year 2022 _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 Kaitlin Hulce . R. . . 51211 1 2 Priyadarshini Jaishankar . . . . 51211 1 3 Gregory Lee . M. . . 51211 1 4 Markus-Frederik Bohn . . . . 51211 1 5 Emily Connelly . . . . 51211 1 6 Kristin Wucherer . . . . 51211 1 7 Regan Volk . F. . . 51211 1 8 Shih-Wei Chuo . . . . 51211 1 9 Michelle Arkin . . . . 51211 1 10 Adam Renslo . . . . 51211 1 11 Charles Craik . S. . . 51211 1 stop_ loop_ _Citation_keyword.Keyword _Citation_keyword.Entry_ID _Citation_keyword.Citation_ID 'Human Cytomegalovirus Protease' 51211 1 NMR 51211 1 'Protein-ligand interactions' 51211 1 'cysteine disulfide trapping' 51211 1 'human herpesvirus' 51211 1 'x-ray crystallography' 51211 1 stop_ save_ save_citations_2 _Citation.Sf_category citations _Citation.Sf_framecode citations_2 _Citation.Entry_ID 51211 _Citation.ID 2 _Citation.Name 'reference citation 2' _Citation.Class 'reference citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.PubMed_ID 21723875 _Citation.DOI 10.1016/j.jmb.2011.06.032 _Citation.Full_citation . _Citation.Title ; Enzyme inhibition by allosteric capture of an inactive conformation. ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'J. Mol. Biol.' _Citation.Journal_name_full 'Journal of molecular biology' _Citation.Journal_volume 411 _Citation.Journal_issue 5 _Citation.Journal_ASTM . _Citation.Journal_ISSN 1089-8638 _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 999 _Citation.Page_last 1016 _Citation.Year 2011 _Citation.Details . loop_ _Citation_author.Ordinal _Citation_author.Given_name _Citation_author.Family_name _Citation_author.First_initial _Citation_author.Middle_initials _Citation_author.Family_title _Citation_author.ORCID _Citation_author.Entry_ID _Citation_author.Citation_ID 1 Gregory Lee G. M. . . 51211 2 2 Tina Shahian T. . . . 51211 2 3 Aida Baharuddin A. . . . 51211 2 4 Jonathan Gable J. E. . . 51211 2 5 Charles Craik C. S. . . 51211 2 stop_ save_ save_citations_3 _Citation.Sf_category citations _Citation.Sf_framecode citations_3 _Citation.Entry_ID 51211 _Citation.ID 3 _Citation.Name 'reference citation 3' _Citation.Class 'reference citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.PubMed_ID 24977643 _Citation.DOI 10.1021/bi5003234 _Citation.Full_citation . _Citation.Title ; Broad-spectrum allosteric inhibition of herpesvirus proteases. ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev Biochemistry _Citation.Journal_name_full Biochemistry _Citation.Journal_volume 53 _Citation.Journal_issue 28 _Citation.Journal_ASTM . _Citation.Journal_ISSN 1520-4995 _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 4648 _Citation.Page_last 4660 _Citation.Year 2014 _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 Jonathan Gable J. E. . . 51211 3 2 Gregory Lee G. M. . . 51211 3 3 Priyadarshini Jaishankar P. . . . 51211 3 4 Brian Hearn B. R. . . 51211 3 5 Christopher Waddling C. A. . . 51211 3 6 Adam Renslo A. R. . . 51211 3 7 Charles Craik C. S. . . 51211 3 stop_ save_ save_citations_4 _Citation.Sf_category citations _Citation.Sf_framecode citations_4 _Citation.Entry_ID 51211 _Citation.ID 4 _Citation.Name . _Citation.Class 'reference citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.PubMed_ID 26822284 _Citation.DOI 10.1002/cmdc.201500526 _Citation.Full_citation . _Citation.Title ; Fragment-Based Protein-Protein Interaction Antagonists of a Viral Dimeric Protease. ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev ChemMedChem _Citation.Journal_name_full ChemMedChem _Citation.Journal_volume 11 _Citation.Journal_issue 8 _Citation.Journal_ASTM . _Citation.Journal_ISSN 1860-7187 _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 862 _Citation.Page_last 869 _Citation.Year 2016 _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 Jonathan Gable J. E. . . 51211 4 2 Gregory Lee G. M. . . 51211 4 3 Timothy Acker T. M. . . 51211 4 4 Kaitlin Hulce K. R. . . 51211 4 5 Eric Gonzalez E. R. . . 51211 4 6 Patrick Schweigler P. . . . 51211 4 7 Samu Melkko S. . . . 51211 4 8 Christopher Farady C. J. . . 51211 4 9 Charles Craik C. S. . . 51211 4 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly_1 _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly_1 _Assembly.Entry_ID 51211 _Assembly.ID 1 _Assembly.Name 'HCMV Pr delta221' _Assembly.BMRB_code . _Assembly.Number_of_components 1 _Assembly.Organic_ligands 0 _Assembly.Metal_ions 0 _Assembly.Non_standard_bonds no _Assembly.Ambiguous_conformational_states no _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange no _Assembly.Paramagnetic no _Assembly.Thiol_state . _Assembly.Molecular_mass 24033.9 _Assembly.Enzyme_commission_number . _Assembly.Details 'Truncated monomeric construct (residues 1-221) and containing a non-native N-terminal His6-tag.' _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 'HCMV Pr delta221' 1 $entity_1 . . yes native no no . . . 51211 1 stop_ loop_ _Assembly_bio_function.Biological_function _Assembly_bio_function.Entry_ID _Assembly_bio_function.Assembly_ID 'Inactive truncated protease' 51211 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity_1 _Entity.Sf_category entity _Entity.Sf_framecode entity_1 _Entity.Entry_ID 51211 _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 . _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; MHHHHHHMTMDEQQSQAVAP VYVGGFLARYDQSPDEAELL LPRDVVEHWLHAQGQGQPSL SVALPLNINHDDTAVVGHVA AMQSVRDGLFCLGCVTSPRF LEIVRRASEKSELVSRGPVS PLQPDKVVEFLSGSYAGLSL SSRRCDDVEVATSLSGSETT PFKHVALCSVGRRRGTLAVY GRDPEWVTQRFPDLTAADRD GLRAQWQRCGSTAVDVSGDP FRSDSYGL ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq ; -7,M -6,H -5,H -4,H -3,H -2,H -1,H 1,M ; _Entity.Polymer_author_seq_details ; Contains a non-native N-terminal Met+His6-tag (residues -7 to -1). Residue numbering begins at Met1. This is a C-terminal truncated construct that ends with L221. ; _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 228 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'all free' _Entity.Src_method . _Entity.Parent_entity_ID 1 _Entity.Fragment 'Human Cytomegalovirus Protease delta 221' _Entity.Mutation ; Truncation(residues 1-221) A141V A143V P144A A209V ; _Entity.EC_number 3.4.21.97 _Entity.Calc_isoelectric_point . _Entity.Formula_weight 24033.9 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details 'Formula mass does not contain the N-terminal His6-tag.' _Entity.DB_query_date . _Entity.DB_query_revised_last_date . loop_ _Entity_db_link.Ordinal _Entity_db_link.Author_supplied _Entity_db_link.Database_code _Entity_db_link.Accession_code _Entity_db_link.Entry_mol_code _Entity_db_link.Entry_mol_name _Entity_db_link.Entry_experimental_method _Entity_db_link.Entry_structure_resolution _Entity_db_link.Entry_relation_type _Entity_db_link.Entry_details _Entity_db_link.Chimera_segment_ID _Entity_db_link.Seq_query_to_submitted_percent _Entity_db_link.Seq_subject_length _Entity_db_link.Seq_identity _Entity_db_link.Seq_positive _Entity_db_link.Seq_homology_expectation_val _Entity_db_link.Seq_align_begin _Entity_db_link.Seq_align_end _Entity_db_link.Seq_difference_details _Entity_db_link.Seq_alignment_details _Entity_db_link.Entry_ID _Entity_db_link.Entity_ID 1 yes NCBI 2554902 . 'HCMV Pr' . . . . . . . . . . . . . . 51211 1 stop_ loop_ _Entity_biological_function.Biological_function _Entity_biological_function.Entry_ID _Entity_biological_function.Entity_ID 'protease; assemblin; capsid maturation' 51211 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 -7 MET . 51211 1 2 -6 HIS . 51211 1 3 -5 HIS . 51211 1 4 -4 HIS . 51211 1 5 -3 HIS . 51211 1 6 -2 HIS . 51211 1 7 -1 HIS . 51211 1 8 1 MET . 51211 1 9 2 THR . 51211 1 10 3 MET . 51211 1 11 4 ASP . 51211 1 12 5 GLU . 51211 1 13 6 GLN . 51211 1 14 7 GLN . 51211 1 15 8 SER . 51211 1 16 9 GLN . 51211 1 17 10 ALA . 51211 1 18 11 VAL . 51211 1 19 12 ALA . 51211 1 20 13 PRO . 51211 1 21 14 VAL . 51211 1 22 15 TYR . 51211 1 23 16 VAL . 51211 1 24 17 GLY . 51211 1 25 18 GLY . 51211 1 26 19 PHE . 51211 1 27 20 LEU . 51211 1 28 21 ALA . 51211 1 29 22 ARG . 51211 1 30 23 TYR . 51211 1 31 24 ASP . 51211 1 32 25 GLN . 51211 1 33 26 SER . 51211 1 34 27 PRO . 51211 1 35 28 ASP . 51211 1 36 29 GLU . 51211 1 37 30 ALA . 51211 1 38 31 GLU . 51211 1 39 32 LEU . 51211 1 40 33 LEU . 51211 1 41 34 LEU . 51211 1 42 35 PRO . 51211 1 43 36 ARG . 51211 1 44 37 ASP . 51211 1 45 38 VAL . 51211 1 46 39 VAL . 51211 1 47 40 GLU . 51211 1 48 41 HIS . 51211 1 49 42 TRP . 51211 1 50 43 LEU . 51211 1 51 44 HIS . 51211 1 52 45 ALA . 51211 1 53 46 GLN . 51211 1 54 47 GLY . 51211 1 55 48 GLN . 51211 1 56 49 GLY . 51211 1 57 50 GLN . 51211 1 58 51 PRO . 51211 1 59 52 SER . 51211 1 60 53 LEU . 51211 1 61 54 SER . 51211 1 62 55 VAL . 51211 1 63 56 ALA . 51211 1 64 57 LEU . 51211 1 65 58 PRO . 51211 1 66 59 LEU . 51211 1 67 60 ASN . 51211 1 68 61 ILE . 51211 1 69 62 ASN . 51211 1 70 63 HIS . 51211 1 71 64 ASP . 51211 1 72 65 ASP . 51211 1 73 66 THR . 51211 1 74 67 ALA . 51211 1 75 68 VAL . 51211 1 76 69 VAL . 51211 1 77 70 GLY . 51211 1 78 71 HIS . 51211 1 79 72 VAL . 51211 1 80 73 ALA . 51211 1 81 74 ALA . 51211 1 82 75 MET . 51211 1 83 76 GLN . 51211 1 84 77 SER . 51211 1 85 78 VAL . 51211 1 86 79 ARG . 51211 1 87 80 ASP . 51211 1 88 81 GLY . 51211 1 89 82 LEU . 51211 1 90 83 PHE . 51211 1 91 84 CYS . 51211 1 92 85 LEU . 51211 1 93 86 GLY . 51211 1 94 87 CYS . 51211 1 95 88 VAL . 51211 1 96 89 THR . 51211 1 97 90 SER . 51211 1 98 91 PRO . 51211 1 99 92 ARG . 51211 1 100 93 PHE . 51211 1 101 94 LEU . 51211 1 102 95 GLU . 51211 1 103 96 ILE . 51211 1 104 97 VAL . 51211 1 105 98 ARG . 51211 1 106 99 ARG . 51211 1 107 100 ALA . 51211 1 108 101 SER . 51211 1 109 102 GLU . 51211 1 110 103 LYS . 51211 1 111 104 SER . 51211 1 112 105 GLU . 51211 1 113 106 LEU . 51211 1 114 107 VAL . 51211 1 115 108 SER . 51211 1 116 109 ARG . 51211 1 117 110 GLY . 51211 1 118 111 PRO . 51211 1 119 112 VAL . 51211 1 120 113 SER . 51211 1 121 114 PRO . 51211 1 122 115 LEU . 51211 1 123 116 GLN . 51211 1 124 117 PRO . 51211 1 125 118 ASP . 51211 1 126 119 LYS . 51211 1 127 120 VAL . 51211 1 128 121 VAL . 51211 1 129 122 GLU . 51211 1 130 123 PHE . 51211 1 131 124 LEU . 51211 1 132 125 SER . 51211 1 133 126 GLY . 51211 1 134 127 SER . 51211 1 135 128 TYR . 51211 1 136 129 ALA . 51211 1 137 130 GLY . 51211 1 138 131 LEU . 51211 1 139 132 SER . 51211 1 140 133 LEU . 51211 1 141 134 SER . 51211 1 142 135 SER . 51211 1 143 136 ARG . 51211 1 144 137 ARG . 51211 1 145 138 CYS . 51211 1 146 139 ASP . 51211 1 147 140 ASP . 51211 1 148 141 VAL . 51211 1 149 142 GLU . 51211 1 150 143 VAL . 51211 1 151 144 ALA . 51211 1 152 145 THR . 51211 1 153 146 SER . 51211 1 154 147 LEU . 51211 1 155 148 SER . 51211 1 156 149 GLY . 51211 1 157 150 SER . 51211 1 158 151 GLU . 51211 1 159 152 THR . 51211 1 160 153 THR . 51211 1 161 154 PRO . 51211 1 162 155 PHE . 51211 1 163 156 LYS . 51211 1 164 157 HIS . 51211 1 165 158 VAL . 51211 1 166 159 ALA . 51211 1 167 160 LEU . 51211 1 168 161 CYS . 51211 1 169 162 SER . 51211 1 170 163 VAL . 51211 1 171 164 GLY . 51211 1 172 165 ARG . 51211 1 173 166 ARG . 51211 1 174 167 ARG . 51211 1 175 168 GLY . 51211 1 176 169 THR . 51211 1 177 170 LEU . 51211 1 178 171 ALA . 51211 1 179 172 VAL . 51211 1 180 173 TYR . 51211 1 181 174 GLY . 51211 1 182 175 ARG . 51211 1 183 176 ASP . 51211 1 184 177 PRO . 51211 1 185 178 GLU . 51211 1 186 179 TRP . 51211 1 187 180 VAL . 51211 1 188 181 THR . 51211 1 189 182 GLN . 51211 1 190 183 ARG . 51211 1 191 184 PHE . 51211 1 192 185 PRO . 51211 1 193 186 ASP . 51211 1 194 187 LEU . 51211 1 195 188 THR . 51211 1 196 189 ALA . 51211 1 197 190 ALA . 51211 1 198 191 ASP . 51211 1 199 192 ARG . 51211 1 200 193 ASP . 51211 1 201 194 GLY . 51211 1 202 195 LEU . 51211 1 203 196 ARG . 51211 1 204 197 ALA . 51211 1 205 198 GLN . 51211 1 206 199 TRP . 51211 1 207 200 GLN . 51211 1 208 201 ARG . 51211 1 209 202 CYS . 51211 1 210 203 GLY . 51211 1 211 204 SER . 51211 1 212 205 THR . 51211 1 213 206 ALA . 51211 1 214 207 VAL . 51211 1 215 208 ASP . 51211 1 216 209 VAL . 51211 1 217 210 SER . 51211 1 218 211 GLY . 51211 1 219 212 ASP . 51211 1 220 213 PRO . 51211 1 221 214 PHE . 51211 1 222 215 ARG . 51211 1 223 216 SER . 51211 1 224 217 ASP . 51211 1 225 218 SER . 51211 1 226 219 TYR . 51211 1 227 220 GLY . 51211 1 228 221 LEU . 51211 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 51211 1 . HIS 2 2 51211 1 . HIS 3 3 51211 1 . HIS 4 4 51211 1 . HIS 5 5 51211 1 . HIS 6 6 51211 1 . HIS 7 7 51211 1 . MET 8 8 51211 1 . THR 9 9 51211 1 . MET 10 10 51211 1 . ASP 11 11 51211 1 . GLU 12 12 51211 1 . GLN 13 13 51211 1 . GLN 14 14 51211 1 . SER 15 15 51211 1 . GLN 16 16 51211 1 . ALA 17 17 51211 1 . VAL 18 18 51211 1 . ALA 19 19 51211 1 . PRO 20 20 51211 1 . VAL 21 21 51211 1 . TYR 22 22 51211 1 . VAL 23 23 51211 1 . GLY 24 24 51211 1 . GLY 25 25 51211 1 . PHE 26 26 51211 1 . LEU 27 27 51211 1 . ALA 28 28 51211 1 . ARG 29 29 51211 1 . TYR 30 30 51211 1 . ASP 31 31 51211 1 . GLN 32 32 51211 1 . SER 33 33 51211 1 . PRO 34 34 51211 1 . ASP 35 35 51211 1 . GLU 36 36 51211 1 . ALA 37 37 51211 1 . GLU 38 38 51211 1 . LEU 39 39 51211 1 . LEU 40 40 51211 1 . LEU 41 41 51211 1 . PRO 42 42 51211 1 . ARG 43 43 51211 1 . ASP 44 44 51211 1 . VAL 45 45 51211 1 . VAL 46 46 51211 1 . GLU 47 47 51211 1 . HIS 48 48 51211 1 . TRP 49 49 51211 1 . LEU 50 50 51211 1 . HIS 51 51 51211 1 . ALA 52 52 51211 1 . GLN 53 53 51211 1 . GLY 54 54 51211 1 . GLN 55 55 51211 1 . GLY 56 56 51211 1 . GLN 57 57 51211 1 . PRO 58 58 51211 1 . SER 59 59 51211 1 . LEU 60 60 51211 1 . SER 61 61 51211 1 . VAL 62 62 51211 1 . ALA 63 63 51211 1 . LEU 64 64 51211 1 . PRO 65 65 51211 1 . LEU 66 66 51211 1 . ASN 67 67 51211 1 . ILE 68 68 51211 1 . ASN 69 69 51211 1 . HIS 70 70 51211 1 . ASP 71 71 51211 1 . ASP 72 72 51211 1 . THR 73 73 51211 1 . ALA 74 74 51211 1 . VAL 75 75 51211 1 . VAL 76 76 51211 1 . GLY 77 77 51211 1 . HIS 78 78 51211 1 . VAL 79 79 51211 1 . ALA 80 80 51211 1 . ALA 81 81 51211 1 . MET 82 82 51211 1 . GLN 83 83 51211 1 . SER 84 84 51211 1 . VAL 85 85 51211 1 . ARG 86 86 51211 1 . ASP 87 87 51211 1 . GLY 88 88 51211 1 . LEU 89 89 51211 1 . PHE 90 90 51211 1 . CYS 91 91 51211 1 . LEU 92 92 51211 1 . GLY 93 93 51211 1 . CYS 94 94 51211 1 . VAL 95 95 51211 1 . THR 96 96 51211 1 . SER 97 97 51211 1 . PRO 98 98 51211 1 . ARG 99 99 51211 1 . PHE 100 100 51211 1 . LEU 101 101 51211 1 . GLU 102 102 51211 1 . ILE 103 103 51211 1 . VAL 104 104 51211 1 . ARG 105 105 51211 1 . ARG 106 106 51211 1 . ALA 107 107 51211 1 . SER 108 108 51211 1 . GLU 109 109 51211 1 . LYS 110 110 51211 1 . SER 111 111 51211 1 . GLU 112 112 51211 1 . LEU 113 113 51211 1 . VAL 114 114 51211 1 . SER 115 115 51211 1 . ARG 116 116 51211 1 . GLY 117 117 51211 1 . PRO 118 118 51211 1 . VAL 119 119 51211 1 . SER 120 120 51211 1 . PRO 121 121 51211 1 . LEU 122 122 51211 1 . GLN 123 123 51211 1 . PRO 124 124 51211 1 . ASP 125 125 51211 1 . LYS 126 126 51211 1 . VAL 127 127 51211 1 . VAL 128 128 51211 1 . GLU 129 129 51211 1 . PHE 130 130 51211 1 . LEU 131 131 51211 1 . SER 132 132 51211 1 . GLY 133 133 51211 1 . SER 134 134 51211 1 . TYR 135 135 51211 1 . ALA 136 136 51211 1 . GLY 137 137 51211 1 . LEU 138 138 51211 1 . SER 139 139 51211 1 . LEU 140 140 51211 1 . SER 141 141 51211 1 . SER 142 142 51211 1 . ARG 143 143 51211 1 . ARG 144 144 51211 1 . CYS 145 145 51211 1 . ASP 146 146 51211 1 . ASP 147 147 51211 1 . VAL 148 148 51211 1 . GLU 149 149 51211 1 . VAL 150 150 51211 1 . ALA 151 151 51211 1 . THR 152 152 51211 1 . SER 153 153 51211 1 . LEU 154 154 51211 1 . SER 155 155 51211 1 . GLY 156 156 51211 1 . SER 157 157 51211 1 . GLU 158 158 51211 1 . THR 159 159 51211 1 . THR 160 160 51211 1 . PRO 161 161 51211 1 . PHE 162 162 51211 1 . LYS 163 163 51211 1 . HIS 164 164 51211 1 . VAL 165 165 51211 1 . ALA 166 166 51211 1 . LEU 167 167 51211 1 . CYS 168 168 51211 1 . SER 169 169 51211 1 . VAL 170 170 51211 1 . GLY 171 171 51211 1 . ARG 172 172 51211 1 . ARG 173 173 51211 1 . ARG 174 174 51211 1 . GLY 175 175 51211 1 . THR 176 176 51211 1 . LEU 177 177 51211 1 . ALA 178 178 51211 1 . VAL 179 179 51211 1 . TYR 180 180 51211 1 . GLY 181 181 51211 1 . ARG 182 182 51211 1 . ASP 183 183 51211 1 . PRO 184 184 51211 1 . GLU 185 185 51211 1 . TRP 186 186 51211 1 . VAL 187 187 51211 1 . THR 188 188 51211 1 . GLN 189 189 51211 1 . ARG 190 190 51211 1 . PHE 191 191 51211 1 . PRO 192 192 51211 1 . ASP 193 193 51211 1 . LEU 194 194 51211 1 . THR 195 195 51211 1 . ALA 196 196 51211 1 . ALA 197 197 51211 1 . ASP 198 198 51211 1 . ARG 199 199 51211 1 . ASP 200 200 51211 1 . GLY 201 201 51211 1 . LEU 202 202 51211 1 . ARG 203 203 51211 1 . ALA 204 204 51211 1 . GLN 205 205 51211 1 . TRP 206 206 51211 1 . GLN 207 207 51211 1 . ARG 208 208 51211 1 . CYS 209 209 51211 1 . GLY 210 210 51211 1 . SER 211 211 51211 1 . THR 212 212 51211 1 . ALA 213 213 51211 1 . VAL 214 214 51211 1 . ASP 215 215 51211 1 . VAL 216 216 51211 1 . SER 217 217 51211 1 . GLY 218 218 51211 1 . ASP 219 219 51211 1 . PRO 220 220 51211 1 . PHE 221 221 51211 1 . ARG 222 222 51211 1 . SER 223 223 51211 1 . ASP 224 224 51211 1 . SER 225 225 51211 1 . TYR 226 226 51211 1 . GLY 227 227 51211 1 . LEU 228 228 51211 1 stop_ save_ #################### # Natural source # #################### save_natural_source_1 _Entity_natural_src_list.Sf_category natural_source _Entity_natural_src_list.Sf_framecode natural_source_1 _Entity_natural_src_list.Entry_ID 51211 _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 . 9606 organism . 'Homo sapiens' Human . . Eukaryota Metazoa Homo sapiens . . . . . . . . . . . . . 51211 1 stop_ save_ ######################### # Experimental source # ######################### save_experimental_source_1 _Entity_experimental_src_list.Sf_category experimental_source _Entity_experimental_src_list.Sf_framecode experimental_source_1 _Entity_experimental_src_list.Entry_ID 51211 _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' . . . Escherichia coli Rosetta2 'DE3 pLysS' . plasmid . . pET21b . . . 51211 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 51211 _Sample.ID 1 _Sample.Name 'sample 1' _Sample.Type solution _Sample.Sub_type . _Sample.Details 'Default conditions; deuterated sample.' _Sample.Aggregate_sample_number 1 _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 'HCMV Protease delta 221' '[U-13C; U-15N; U-2H]' . . 1 $entity_1 . . 150 . . uM . . . . 51211 1 2 'potassium phosphate' 'natural abundance' . . . . . . 25 . . mM . . . . 51211 1 3 'potassium chloride' 'natural abundance' . . . . . . 150 . . mM . . . . 51211 1 4 D2O '[U-100% 2H]' . . . . . . 10 . . % . . . . 51211 1 5 DTT 'natural abundance' . . . . . . 1 . . mM . . . . 51211 1 6 EDTA 'natural abundance' . . . . . . 0.5 . . mM . . . . 51211 1 stop_ save_ save_sample_2 _Sample.Sf_category sample _Sample.Sf_framecode sample_2 _Sample.Entry_ID 51211 _Sample.ID 2 _Sample.Name 'sample 2' _Sample.Type solution _Sample.Sub_type . _Sample.Details 'Default conditions; protonated sample.' _Sample.Aggregate_sample_number 1 _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 'HCMV Protease delta 221' '[U-100% 13C; U-100% 15N]' . . 1 $entity_1 . . 150 . . uM . . . . 51211 2 2 'potassium phosphate' 'natural abundance' . . . . . . 25 . . mM . . . . 51211 2 3 'potassium chloride' 'natural abundance' . . . . . . 150 . . mM . . . . 51211 2 4 D2O '[U-100% 2H]' . . . . . . 10 . . % . . . . 51211 2 5 DTT 'natural abundance' . . . . . . 1 . . mM . . . . 51211 2 6 EDTA 'natural abundance' . . . . . . 0.5 . . mM . . . . 51211 2 stop_ save_ save_sample_3 _Sample.Sf_category sample _Sample.Sf_framecode sample_3 _Sample.Entry_ID 51211 _Sample.ID 3 _Sample.Name 'sample 3' _Sample.Type solution _Sample.Sub_type . _Sample.Details 'Default conditions; protonated sample.' _Sample.Aggregate_sample_number 1 _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 'HCMV Protease delta 221' '[U-100% 15N]' . . 1 $entity_1 . . 150 . . uM . . . . 51211 3 2 'potassium phosphate' 'natural abundance' . . . . . . 25 . . mM . . . . 51211 3 3 'potassium chloride' 'natural abundance' . . . . . . 150 . . mM . . . . 51211 3 4 D2O '[U-100% 2H]' . . . . . . 10 . . % . . . . 51211 3 5 DTT 'natural abundance' . . . . . . 1 . . mM . . . . 51211 3 6 EDTA 'natural abundance' . . . . . . 0.5 . . mM . . . . 51211 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 51211 _Sample_condition_list.ID 1 _Sample_condition_list.Name 'sample conditions 1' _Sample_condition_list.Details 'Default sample conditions: 25mM KPi (pH 7), 150mM KCl, 0.1mM EDTA, 1mM DTT.' loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID pH 7 . pH 51211 1 pressure 1 . atm 51211 1 temperature 300 . K 51211 1 stop_ save_ ############################ # Computer software used # ############################ save_software_1 _Software.Sf_category software _Software.Sf_framecode software_1 _Software.Entry_ID 51211 _Software.ID 1 _Software.Type . _Software.Name 'TOPSPIN v1.3pl10' _Software.Version 1.3pl10 _Software.DOI . _Software.Details 'Version of Topspin running on the Bruker DRX500.' loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID collection . 51211 1 stop_ save_ save_software_2 _Software.Sf_category software _Software.Sf_framecode software_2 _Software.Entry_ID 51211 _Software.ID 2 _Software.Type . _Software.Name 'TOPSPIN v2.1pl8' _Software.Version 2.1pl8 _Software.DOI . _Software.Details 'Version of Topspin running on the Bruker AV800.' loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID collection . 51211 2 stop_ save_ save_software_3 _Software.Sf_category software _Software.Sf_framecode software_3 _Software.Entry_ID 51211 _Software.ID 3 _Software.Type . _Software.Name 'NMRPipe v8.7' _Software.Version 8.7 _Software.DOI . _Software.Details NMRPipe loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID processing . 51211 3 stop_ save_ save_software_4 _Software.Sf_category software _Software.Sf_framecode software_4 _Software.Entry_ID 51211 _Software.ID 4 _Software.Type . _Software.Name 'SPARKY v.3.114' _Software.Version 3.114 _Software.DOI . _Software.Details 'UCSF-Sparky version 3.114' loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' . 51211 4 'data analysis' . 51211 4 'peak picking' . 51211 4 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 51211 _NMR_spectrometer.ID 1 _NMR_spectrometer.Name 'Bruker DRX500' _NMR_spectrometer.Details ; 500 MHz Bruker DRX 4-channel spectrometer equipped with Z-gradient, lock-switch for deuterium decoupling, and a 60-slot BACS sample changer. Triple-resonance QCI-Cryoprobe with cold 1H and 13C preamps for detection/decoupling of 1H, 13C, and 15N. ; _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance/DRX _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 500 save_ save_NMR_spectrometer_2 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer_2 _NMR_spectrometer.Entry_ID 51211 _NMR_spectrometer.ID 2 _NMR_spectrometer.Name 'Bruker AV800' _NMR_spectrometer.Details ; 800 MHz, 4-channel spectrometer with triple-axis gradients, lock-switch for deuterium decoupling and ultra-shielded US2 magnet. 5mm triple-resonance Z-gradient TXI-Cryoprobe. ; _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 800 save_ ############################# # NMR applied experiments # ############################# save_experiment_list_1 _Experiment_list.Sf_category experiment_list _Experiment_list.Sf_framecode experiment_list_1 _Experiment_list.Entry_ID 51211 _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 '2D 1H-15N HSQC' no no no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 51211 1 2 '2D 1H-15N HSQC' no no no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 51211 1 3 '2D 1H-15N HSQC' no no no . . . . . . . . . . 3 $sample_3 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 51211 1 4 '2D 1H-13C HSQC aliphatic' no no no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 51211 1 5 '2D 1H-13C HSQC aliphatic' no no no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 51211 1 6 '3D HNCACB' no no no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 51211 1 7 '3D HN(CO)CACB' no no no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 51211 1 8 '3D HNCO' no no no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 51211 1 9 '3D CC(CO)NH' no no no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 51211 1 10 '3D 1H-15N NOESY' no no no . . . . . . . . . . 3 $sample_3 isotropic . . 1 $sample_conditions_1 . . . 2 $NMR_spectrometer_2 . . . . . . . . . . . . . . . . . 51211 1 11 '3D 1H-15N TOCSY' no no no . . . . . . . . . . 3 $sample_3 isotropic . . 1 $sample_conditions_1 . . . 2 $NMR_spectrometer_2 . . . . . . . . . . . . . . . . . 51211 1 stop_ save_ save_computing_platform_1 _Computing_platform.Sf_category computing_platform _Computing_platform.Sf_framecode computing_platform_1 _Computing_platform.Entry_ID 51211 _Computing_platform.ID 1 _Computing_platform.Name 'UCSF NMR Lab' _Computing_platform.Reference_ID . _Computing_platform.Site 'UCSF NMR Lab, San Francisco, CA' _Computing_platform.Site_reference_ID . _Computing_platform.Details ; All computers used to collect and process the data were using CentOS v6.x operating system. Analysis was performed with Sparky (installed on Windows PC computers). ; 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 51211 _Chem_shift_reference.ID 1 _Chem_shift_reference.Name 'chemical shift reference 1' _Chem_shift_reference.Details 'Referenced against 10mM DSS in pH 7 phosphate buffer/150mM KCl.' loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C 13 DSS 'methyl protons' . . . . ppm 0.00 external direct 0.251449530 'separate tube (no insert) similar to the experimental sample tube' . . . . 51211 1 H 1 DSS 'methyl protons' . . . . ppm 0.00 external direct 1.000000000 'separate tube (no insert) similar to the experimental sample tube' . . . . 51211 1 N 15 '[15N] ammonium chloride' nitrogen . . . . ppm 0 na direct 1.0 'separate tube (no insert) similar to the experimental sample tube' . . . . 51211 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 51211 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Name 'assigned chem shift list 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 $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 'Used average and standard deviation of shifts from all spectral assignments.' _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' . . . 51211 1 2 '2D 1H-15N HSQC' . . . 51211 1 3 '2D 1H-15N HSQC' . . . 51211 1 4 '2D 1H-13C HSQC aliphatic' . . . 51211 1 5 '2D 1H-13C HSQC aliphatic' . . . 51211 1 6 '3D HNCACB' . . . 51211 1 7 '3D HN(CO)CACB' . . . 51211 1 8 '3D HNCO' . . . 51211 1 9 '3D CC(CO)NH' . . . 51211 1 10 '3D 1H-15N NOESY' . . . 51211 1 11 '3D 1H-15N TOCSY' . . . 51211 1 stop_ loop_ _Chem_shift_software.Software_ID _Chem_shift_software.Software_label _Chem_shift_software.Method_ID _Chem_shift_software.Method_label _Chem_shift_software.Entry_ID _Chem_shift_software.Assigned_chem_shift_list_ID 1 $software_1 . . 51211 1 2 $software_2 . . 51211 1 3 $software_3 . . 51211 1 4 $software_4 . . 51211 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 7 7 HIS C C 13 174.920 0.000 . 1 . . . . . -1 HIS C . 51211 1 2 . 1 . 1 7 7 HIS CA C 13 55.715 0.048 . 1 . . . . . -1 HIS CA . 51211 1 3 . 1 . 1 7 7 HIS CB C 13 29.446 0.020 . 1 . . . . . -1 HIS CB . 51211 1 4 . 1 . 1 8 8 MET H H 1 8.374 0.007 . 1 . . . . . 1 MET H . 51211 1 5 . 1 . 1 8 8 MET HE1 H 1 1.989 0.000 . 1 . . . . . 1 MET ME . 51211 1 6 . 1 . 1 8 8 MET HE2 H 1 1.989 0.000 . 1 . . . . . 1 MET ME . 51211 1 7 . 1 . 1 8 8 MET HE3 H 1 1.989 0.000 . 1 . . . . . 1 MET ME . 51211 1 8 . 1 . 1 8 8 MET C C 13 176.235 0.000 . 1 . . . . . 1 MET C . 51211 1 9 . 1 . 1 8 8 MET CA C 13 55.194 0.050 . 1 . . . . . 1 MET CA . 51211 1 10 . 1 . 1 8 8 MET CB C 13 32.322 0.021 . 1 . . . . . 1 MET CB . 51211 1 11 . 1 . 1 8 8 MET CE C 13 16.799 0.005 . 1 . . . . . 1 MET CE . 51211 1 12 . 1 . 1 8 8 MET N N 15 122.082 0.044 . 1 . . . . . 1 MET N . 51211 1 13 . 1 . 1 9 9 THR H H 1 8.293 0.005 . 1 . . . . . 2 THR H . 51211 1 14 . 1 . 1 9 9 THR HG21 H 1 1.204 0.019 . 1 . . . . . 2 THR MG . 51211 1 15 . 1 . 1 9 9 THR HG22 H 1 1.204 0.019 . 1 . . . . . 2 THR MG . 51211 1 16 . 1 . 1 9 9 THR HG23 H 1 1.204 0.019 . 1 . . . . . 2 THR MG . 51211 1 17 . 1 . 1 9 9 THR C C 13 174.688 0.000 . 1 . . . . . 2 THR C . 51211 1 18 . 1 . 1 9 9 THR CA C 13 61.556 0.036 . 1 . . . . . 2 THR CA . 51211 1 19 . 1 . 1 9 9 THR CB C 13 69.330 0.012 . 1 . . . . . 2 THR CB . 51211 1 20 . 1 . 1 9 9 THR CG2 C 13 19.098 0.000 . 1 . . . . . 2 THR CG2 . 51211 1 21 . 1 . 1 9 9 THR N N 15 115.515 0.055 . 1 . . . . . 2 THR N . 51211 1 22 . 1 . 1 10 10 MET H H 1 8.494 0.006 . 1 . . . . . 3 MET H . 51211 1 23 . 1 . 1 10 10 MET HE1 H 1 2.011 0.001 . 1 . . . . . 3 MET ME . 51211 1 24 . 1 . 1 10 10 MET HE2 H 1 2.011 0.001 . 1 . . . . . 3 MET ME . 51211 1 25 . 1 . 1 10 10 MET HE3 H 1 2.011 0.001 . 1 . . . . . 3 MET ME . 51211 1 26 . 1 . 1 10 10 MET C C 13 176.337 0.000 . 1 . . . . . 3 MET C . 51211 1 27 . 1 . 1 10 10 MET CA C 13 55.833 0.064 . 1 . . . . . 3 MET CA . 51211 1 28 . 1 . 1 10 10 MET CB C 13 31.682 0.021 . 1 . . . . . 3 MET CB . 51211 1 29 . 1 . 1 10 10 MET CE C 13 16.948 0.001 . 1 . . . . . 3 MET CE . 51211 1 30 . 1 . 1 10 10 MET N N 15 122.213 0.033 . 1 . . . . . 3 MET N . 51211 1 31 . 1 . 1 11 11 ASP H H 1 8.300 0.004 . 1 . . . . . 4 ASP H . 51211 1 32 . 1 . 1 11 11 ASP C C 13 176.773 0.000 . 1 . . . . . 4 ASP C . 51211 1 33 . 1 . 1 11 11 ASP CA C 13 54.610 0.040 . 1 . . . . . 4 ASP CA . 51211 1 34 . 1 . 1 11 11 ASP CB C 13 40.552 0.048 . 1 . . . . . 4 ASP CB . 51211 1 35 . 1 . 1 11 11 ASP N N 15 120.840 0.053 . 1 . . . . . 4 ASP N . 51211 1 36 . 1 . 1 12 12 GLU H H 1 8.258 0.010 . 1 . . . . . 5 GLU H . 51211 1 37 . 1 . 1 12 12 GLU CA C 13 56.985 0.000 . 1 . . . . . 5 GLU CA . 51211 1 38 . 1 . 1 12 12 GLU CB C 13 28.365 0.000 . 1 . . . . . 5 GLU CB . 51211 1 39 . 1 . 1 12 12 GLU N N 15 121.214 0.047 . 1 . . . . . 5 GLU N . 51211 1 40 . 1 . 1 14 14 GLN C C 13 176.482 0.000 . 1 . . . . . 7 GLN C . 51211 1 41 . 1 . 1 14 14 GLN CA C 13 55.746 0.088 . 1 . . . . . 7 GLN CA . 51211 1 42 . 1 . 1 14 14 GLN CB C 13 28.221 0.011 . 1 . . . . . 7 GLN CB . 51211 1 43 . 1 . 1 15 15 SER H H 1 8.239 0.003 . 1 . . . . . 8 SER H . 51211 1 44 . 1 . 1 15 15 SER C C 13 174.819 0.000 . 1 . . . . . 8 SER C . 51211 1 45 . 1 . 1 15 15 SER CA C 13 58.588 0.020 . 1 . . . . . 8 SER CA . 51211 1 46 . 1 . 1 15 15 SER CB C 13 62.918 0.033 . 1 . . . . . 8 SER CB . 51211 1 47 . 1 . 1 15 15 SER N N 15 116.364 0.058 . 1 . . . . . 8 SER N . 51211 1 48 . 1 . 1 16 16 GLN H H 1 8.237 0.003 . 1 . . . . . 9 GLN H . 51211 1 49 . 1 . 1 16 16 GLN HE21 H 1 7.570 0.004 . 2 . . . . . 9 GLN HE21 . 51211 1 50 . 1 . 1 16 16 GLN HE22 H 1 6.858 0.001 . 2 . . . . . 9 GLN HE22 . 51211 1 51 . 1 . 1 16 16 GLN C C 13 175.839 0.000 . 1 . . . . . 9 GLN C . 51211 1 52 . 1 . 1 16 16 GLN CA C 13 55.332 0.011 . 1 . . . . . 9 GLN CA . 51211 1 53 . 1 . 1 16 16 GLN CB C 13 28.454 0.196 . 1 . . . . . 9 GLN CB . 51211 1 54 . 1 . 1 16 16 GLN CG C 13 32.766 0.000 . 1 . . . . . 9 GLN CG . 51211 1 55 . 1 . 1 16 16 GLN CD C 13 180.498 0.003 . 1 . . . . . 9 GLN CD . 51211 1 56 . 1 . 1 16 16 GLN N N 15 121.673 0.069 . 1 . . . . . 9 GLN N . 51211 1 57 . 1 . 1 16 16 GLN NE2 N 15 112.728 0.147 . 1 . . . . . 9 GLN NE2 . 51211 1 58 . 1 . 1 17 17 ALA H H 1 8.130 0.004 . 1 . . . . . 10 ALA H . 51211 1 59 . 1 . 1 17 17 ALA HB1 H 1 1.361 0.008 . 1 . . . . . 10 ALA MB . 51211 1 60 . 1 . 1 17 17 ALA HB2 H 1 1.361 0.008 . 1 . . . . . 10 ALA MB . 51211 1 61 . 1 . 1 17 17 ALA HB3 H 1 1.361 0.008 . 1 . . . . . 10 ALA MB . 51211 1 62 . 1 . 1 17 17 ALA C C 13 177.757 0.000 . 1 . . . . . 10 ALA C . 51211 1 63 . 1 . 1 17 17 ALA CA C 13 52.436 0.086 . 1 . . . . . 10 ALA CA . 51211 1 64 . 1 . 1 17 17 ALA CB C 13 18.286 0.052 . 1 . . . . . 10 ALA CB . 51211 1 65 . 1 . 1 17 17 ALA N N 15 124.539 0.049 . 1 . . . . . 10 ALA N . 51211 1 66 . 1 . 1 18 18 VAL H H 1 7.927 0.008 . 1 . . . . . 11 VAL H . 51211 1 67 . 1 . 1 18 18 VAL HG11 H 1 0.860 0.009 . 2 . . . . . 11 VAL MG1 . 51211 1 68 . 1 . 1 18 18 VAL HG12 H 1 0.860 0.009 . 2 . . . . . 11 VAL MG1 . 51211 1 69 . 1 . 1 18 18 VAL HG13 H 1 0.860 0.009 . 2 . . . . . 11 VAL MG1 . 51211 1 70 . 1 . 1 18 18 VAL HG21 H 1 0.860 0.009 . 2 . . . . . 11 VAL MG2 . 51211 1 71 . 1 . 1 18 18 VAL HG22 H 1 0.860 0.009 . 2 . . . . . 11 VAL MG2 . 51211 1 72 . 1 . 1 18 18 VAL HG23 H 1 0.860 0.009 . 2 . . . . . 11 VAL MG2 . 51211 1 73 . 1 . 1 18 18 VAL C C 13 174.662 0.000 . 1 . . . . . 11 VAL C . 51211 1 74 . 1 . 1 18 18 VAL CA C 13 60.933 0.036 . 1 . . . . . 11 VAL CA . 51211 1 75 . 1 . 1 18 18 VAL CB C 13 31.628 0.016 . 1 . . . . . 11 VAL CB . 51211 1 76 . 1 . 1 18 18 VAL N N 15 117.702 0.196 . 1 . . . . . 11 VAL N . 51211 1 77 . 1 . 1 19 19 ALA H H 1 8.015 0.012 . 1 . . . . . 12 ALA H . 51211 1 78 . 1 . 1 19 19 ALA HB1 H 1 1.389 0.021 . 1 . . . . . 12 ALA MB . 51211 1 79 . 1 . 1 19 19 ALA HB2 H 1 1.389 0.021 . 1 . . . . . 12 ALA MB . 51211 1 80 . 1 . 1 19 19 ALA HB3 H 1 1.389 0.021 . 1 . . . . . 12 ALA MB . 51211 1 81 . 1 . 1 19 19 ALA CA C 13 49.899 0.000 . 1 . . . . . 12 ALA CA . 51211 1 82 . 1 . 1 19 19 ALA CB C 13 17.630 0.079 . 1 . . . . . 12 ALA CB . 51211 1 83 . 1 . 1 19 19 ALA N N 15 129.108 0.048 . 1 . . . . . 12 ALA N . 51211 1 84 . 1 . 1 21 21 VAL HG11 H 1 1.087 0.007 . 2 . . . . . 14 VAL MG1 . 51211 1 85 . 1 . 1 21 21 VAL HG12 H 1 1.087 0.007 . 2 . . . . . 14 VAL MG1 . 51211 1 86 . 1 . 1 21 21 VAL HG13 H 1 1.087 0.007 . 2 . . . . . 14 VAL MG1 . 51211 1 87 . 1 . 1 21 21 VAL HG21 H 1 0.681 0.001 . 2 . . . . . 14 VAL MG2 . 51211 1 88 . 1 . 1 21 21 VAL HG22 H 1 0.681 0.001 . 2 . . . . . 14 VAL MG2 . 51211 1 89 . 1 . 1 21 21 VAL HG23 H 1 0.681 0.001 . 2 . . . . . 14 VAL MG2 . 51211 1 90 . 1 . 1 21 21 VAL C C 13 174.071 0.000 . 1 . . . . . 14 VAL C . 51211 1 91 . 1 . 1 21 21 VAL CA C 13 61.286 0.170 . 1 . . . . . 14 VAL CA . 51211 1 92 . 1 . 1 21 21 VAL CB C 13 34.603 0.015 . 1 . . . . . 14 VAL CB . 51211 1 93 . 1 . 1 21 21 VAL CG1 C 13 23.308 0.041 . 2 . . . . . 14 VAL CG1 . 51211 1 94 . 1 . 1 21 21 VAL CG2 C 13 20.549 0.017 . 2 . . . . . 14 VAL CG2 . 51211 1 95 . 1 . 1 22 22 TYR H H 1 8.922 0.005 . 1 . . . . . 15 TYR H . 51211 1 96 . 1 . 1 22 22 TYR C C 13 173.631 0.000 . 1 . . . . . 15 TYR C . 51211 1 97 . 1 . 1 22 22 TYR CA C 13 57.474 0.036 . 1 . . . . . 15 TYR CA . 51211 1 98 . 1 . 1 22 22 TYR CB C 13 39.683 0.043 . 1 . . . . . 15 TYR CB . 51211 1 99 . 1 . 1 22 22 TYR N N 15 125.007 0.054 . 1 . . . . . 15 TYR N . 51211 1 100 . 1 . 1 23 23 VAL H H 1 8.508 0.006 . 1 . . . . . 16 VAL H . 51211 1 101 . 1 . 1 23 23 VAL HG11 H 1 0.465 0.000 . 2 . . . . . 16 VAL MG1 . 51211 1 102 . 1 . 1 23 23 VAL HG12 H 1 0.465 0.000 . 2 . . . . . 16 VAL MG1 . 51211 1 103 . 1 . 1 23 23 VAL HG13 H 1 0.465 0.000 . 2 . . . . . 16 VAL MG1 . 51211 1 104 . 1 . 1 23 23 VAL HG21 H 1 -0.008 0.001 . 2 . . . . . 16 VAL MG2 . 51211 1 105 . 1 . 1 23 23 VAL HG22 H 1 -0.008 0.001 . 2 . . . . . 16 VAL MG2 . 51211 1 106 . 1 . 1 23 23 VAL HG23 H 1 -0.008 0.001 . 2 . . . . . 16 VAL MG2 . 51211 1 107 . 1 . 1 23 23 VAL C C 13 172.600 0.000 . 1 . . . . . 16 VAL C . 51211 1 108 . 1 . 1 23 23 VAL CA C 13 56.953 0.055 . 1 . . . . . 16 VAL CA . 51211 1 109 . 1 . 1 23 23 VAL CB C 13 33.657 0.041 . 1 . . . . . 16 VAL CB . 51211 1 110 . 1 . 1 23 23 VAL CG1 C 13 17.567 0.013 . 2 . . . . . 16 VAL CG1 . 51211 1 111 . 1 . 1 23 23 VAL CG2 C 13 21.374 0.002 . 2 . . . . . 16 VAL CG2 . 51211 1 112 . 1 . 1 23 23 VAL N N 15 118.320 0.065 . 1 . . . . . 16 VAL N . 51211 1 113 . 1 . 1 24 24 GLY H H 1 9.253 0.010 . 1 . . . . . 17 GLY H . 51211 1 114 . 1 . 1 24 24 GLY C C 13 171.054 0.000 . 1 . . . . . 17 GLY C . 51211 1 115 . 1 . 1 24 24 GLY CA C 13 42.843 0.025 . 1 . . . . . 17 GLY CA . 51211 1 116 . 1 . 1 24 24 GLY N N 15 115.274 0.076 . 1 . . . . . 17 GLY N . 51211 1 117 . 1 . 1 25 25 GLY H H 1 6.965 0.011 . 1 . . . . . 18 GLY H . 51211 1 118 . 1 . 1 25 25 GLY C C 13 171.059 0.000 . 1 . . . . . 18 GLY C . 51211 1 119 . 1 . 1 25 25 GLY CA C 13 44.191 0.076 . 1 . . . . . 18 GLY CA . 51211 1 120 . 1 . 1 25 25 GLY N N 15 105.265 0.073 . 1 . . . . . 18 GLY N . 51211 1 121 . 1 . 1 26 26 PHE H H 1 8.989 0.005 . 1 . . . . . 19 PHE H . 51211 1 122 . 1 . 1 26 26 PHE C C 13 176.326 0.000 . 1 . . . . . 19 PHE C . 51211 1 123 . 1 . 1 26 26 PHE CA C 13 58.143 0.038 . 1 . . . . . 19 PHE CA . 51211 1 124 . 1 . 1 26 26 PHE CB C 13 38.760 0.135 . 1 . . . . . 19 PHE CB . 51211 1 125 . 1 . 1 26 26 PHE N N 15 117.121 0.042 . 1 . . . . . 19 PHE N . 51211 1 126 . 1 . 1 27 27 LEU H H 1 8.801 0.009 . 1 . . . . . 20 LEU H . 51211 1 127 . 1 . 1 27 27 LEU HD11 H 1 0.641 0.082 . 2 . . . . . 20 LEU MD1 . 51211 1 128 . 1 . 1 27 27 LEU HD12 H 1 0.641 0.082 . 2 . . . . . 20 LEU MD1 . 51211 1 129 . 1 . 1 27 27 LEU HD13 H 1 0.641 0.082 . 2 . . . . . 20 LEU MD1 . 51211 1 130 . 1 . 1 27 27 LEU HD21 H 1 0.617 0.000 . 2 . . . . . 20 LEU MD2 . 51211 1 131 . 1 . 1 27 27 LEU HD22 H 1 0.617 0.000 . 2 . . . . . 20 LEU MD2 . 51211 1 132 . 1 . 1 27 27 LEU HD23 H 1 0.617 0.000 . 2 . . . . . 20 LEU MD2 . 51211 1 133 . 1 . 1 27 27 LEU C C 13 176.440 0.000 . 1 . . . . . 20 LEU C . 51211 1 134 . 1 . 1 27 27 LEU CA C 13 53.955 0.050 . 1 . . . . . 20 LEU CA . 51211 1 135 . 1 . 1 27 27 LEU CB C 13 42.382 0.070 . 1 . . . . . 20 LEU CB . 51211 1 136 . 1 . 1 27 27 LEU CD1 C 13 23.752 0.010 . 2 . . . . . 20 LEU CD1 . 51211 1 137 . 1 . 1 27 27 LEU CD2 C 13 23.752 0.010 . 2 . . . . . 20 LEU CD2 . 51211 1 138 . 1 . 1 27 27 LEU N N 15 119.698 0.043 . 1 . . . . . 20 LEU N . 51211 1 139 . 1 . 1 28 28 ALA H H 1 7.537 0.012 . 1 . . . . . 21 ALA H . 51211 1 140 . 1 . 1 28 28 ALA HB1 H 1 1.360 0.009 . 1 . . . . . 21 ALA MB . 51211 1 141 . 1 . 1 28 28 ALA HB2 H 1 1.360 0.009 . 1 . . . . . 21 ALA MB . 51211 1 142 . 1 . 1 28 28 ALA HB3 H 1 1.360 0.009 . 1 . . . . . 21 ALA MB . 51211 1 143 . 1 . 1 28 28 ALA C C 13 176.002 0.000 . 1 . . . . . 21 ALA C . 51211 1 144 . 1 . 1 28 28 ALA CA C 13 50.967 0.093 . 1 . . . . . 21 ALA CA . 51211 1 145 . 1 . 1 28 28 ALA CB C 13 21.291 0.315 . 1 . . . . . 21 ALA CB . 51211 1 146 . 1 . 1 28 28 ALA N N 15 116.073 0.089 . 1 . . . . . 21 ALA N . 51211 1 147 . 1 . 1 29 29 ARG H H 1 8.891 0.003 . 1 . . . . . 22 ARG H . 51211 1 148 . 1 . 1 29 29 ARG C C 13 175.853 0.000 . 1 . . . . . 22 ARG C . 51211 1 149 . 1 . 1 29 29 ARG CA C 13 52.548 0.052 . 1 . . . . . 22 ARG CA . 51211 1 150 . 1 . 1 29 29 ARG CB C 13 31.021 0.134 . 1 . . . . . 22 ARG CB . 51211 1 151 . 1 . 1 29 29 ARG N N 15 120.369 0.066 . 1 . . . . . 22 ARG N . 51211 1 152 . 1 . 1 30 30 TYR H H 1 7.784 0.010 . 1 . . . . . 23 TYR H . 51211 1 153 . 1 . 1 30 30 TYR C C 13 176.362 0.000 . 1 . . . . . 23 TYR C . 51211 1 154 . 1 . 1 30 30 TYR CA C 13 54.581 0.049 . 1 . . . . . 23 TYR CA . 51211 1 155 . 1 . 1 30 30 TYR CB C 13 37.122 0.046 . 1 . . . . . 23 TYR CB . 51211 1 156 . 1 . 1 30 30 TYR N N 15 120.400 0.065 . 1 . . . . . 23 TYR N . 51211 1 157 . 1 . 1 31 31 ASP H H 1 8.619 0.005 . 1 . . . . . 24 ASP H . 51211 1 158 . 1 . 1 31 31 ASP C C 13 175.290 0.000 . 1 . . . . . 24 ASP C . 51211 1 159 . 1 . 1 31 31 ASP CA C 13 53.380 0.079 . 1 . . . . . 24 ASP CA . 51211 1 160 . 1 . 1 31 31 ASP CB C 13 39.993 0.067 . 1 . . . . . 24 ASP CB . 51211 1 161 . 1 . 1 31 31 ASP N N 15 118.712 0.022 . 1 . . . . . 24 ASP N . 51211 1 162 . 1 . 1 32 32 GLN H H 1 7.906 0.005 . 1 . . . . . 25 GLN H . 51211 1 163 . 1 . 1 32 32 GLN C C 13 175.352 0.000 . 1 . . . . . 25 GLN C . 51211 1 164 . 1 . 1 32 32 GLN CA C 13 55.129 0.001 . 1 . . . . . 25 GLN CA . 51211 1 165 . 1 . 1 32 32 GLN CB C 13 29.284 0.004 . 1 . . . . . 25 GLN CB . 51211 1 166 . 1 . 1 32 32 GLN N N 15 118.848 0.058 . 1 . . . . . 25 GLN N . 51211 1 167 . 1 . 1 33 33 SER H H 1 8.595 0.003 . 1 . . . . . 26 SER H . 51211 1 168 . 1 . 1 33 33 SER CA C 13 55.815 0.000 . 1 . . . . . 26 SER CA . 51211 1 169 . 1 . 1 33 33 SER CB C 13 62.842 0.000 . 1 . . . . . 26 SER CB . 51211 1 170 . 1 . 1 33 33 SER N N 15 119.455 0.033 . 1 . . . . . 26 SER N . 51211 1 171 . 1 . 1 34 34 PRO C C 13 176.845 0.000 . 1 . . . . . 27 PRO C . 51211 1 172 . 1 . 1 34 34 PRO CA C 13 63.892 0.008 . 1 . . . . . 27 PRO CA . 51211 1 173 . 1 . 1 34 34 PRO CB C 13 31.084 0.034 . 1 . . . . . 27 PRO CB . 51211 1 174 . 1 . 1 35 35 ASP H H 1 8.230 0.004 . 1 . . . . . 28 ASP H . 51211 1 175 . 1 . 1 35 35 ASP C C 13 176.845 0.000 . 1 . . . . . 28 ASP C . 51211 1 176 . 1 . 1 35 35 ASP CA C 13 54.011 0.067 . 1 . . . . . 28 ASP CA . 51211 1 177 . 1 . 1 35 35 ASP CB C 13 40.577 0.047 . 1 . . . . . 28 ASP CB . 51211 1 178 . 1 . 1 35 35 ASP N N 15 117.938 0.053 . 1 . . . . . 28 ASP N . 51211 1 179 . 1 . 1 36 36 GLU H H 1 8.105 0.004 . 1 . . . . . 29 GLU H . 51211 1 180 . 1 . 1 36 36 GLU C C 13 176.221 0.000 . 1 . . . . . 29 GLU C . 51211 1 181 . 1 . 1 36 36 GLU CA C 13 56.611 0.085 . 1 . . . . . 29 GLU CA . 51211 1 182 . 1 . 1 36 36 GLU CB C 13 29.310 0.022 . 1 . . . . . 29 GLU CB . 51211 1 183 . 1 . 1 36 36 GLU N N 15 120.435 0.042 . 1 . . . . . 29 GLU N . 51211 1 184 . 1 . 1 37 37 ALA H H 1 8.206 0.006 . 1 . . . . . 30 ALA H . 51211 1 185 . 1 . 1 37 37 ALA HB1 H 1 1.380 0.005 . 1 . . . . . 30 ALA MB . 51211 1 186 . 1 . 1 37 37 ALA HB2 H 1 1.380 0.005 . 1 . . . . . 30 ALA MB . 51211 1 187 . 1 . 1 37 37 ALA HB3 H 1 1.380 0.005 . 1 . . . . . 30 ALA MB . 51211 1 188 . 1 . 1 37 37 ALA C C 13 177.744 0.000 . 1 . . . . . 30 ALA C . 51211 1 189 . 1 . 1 37 37 ALA CA C 13 52.598 0.159 . 1 . . . . . 30 ALA CA . 51211 1 190 . 1 . 1 37 37 ALA CB C 13 18.533 0.073 . 1 . . . . . 30 ALA CB . 51211 1 191 . 1 . 1 37 37 ALA N N 15 123.053 0.025 . 1 . . . . . 30 ALA N . 51211 1 192 . 1 . 1 38 38 GLU H H 1 8.181 0.011 . 1 . . . . . 31 GLU H . 51211 1 193 . 1 . 1 38 38 GLU C C 13 176.377 0.000 . 1 . . . . . 31 GLU C . 51211 1 194 . 1 . 1 38 38 GLU CA C 13 56.383 0.031 . 1 . . . . . 31 GLU CA . 51211 1 195 . 1 . 1 38 38 GLU CB C 13 29.444 0.065 . 1 . . . . . 31 GLU CB . 51211 1 196 . 1 . 1 38 38 GLU N N 15 118.894 0.052 . 1 . . . . . 31 GLU N . 51211 1 197 . 1 . 1 39 39 LEU H H 1 8.188 0.009 . 1 . . . . . 32 LEU H . 51211 1 198 . 1 . 1 39 39 LEU HD11 H 1 0.830 0.000 . 2 . . . . . 32 LEU MD1 . 51211 1 199 . 1 . 1 39 39 LEU HD12 H 1 0.830 0.000 . 2 . . . . . 32 LEU MD1 . 51211 1 200 . 1 . 1 39 39 LEU HD13 H 1 0.830 0.000 . 2 . . . . . 32 LEU MD1 . 51211 1 201 . 1 . 1 39 39 LEU HD21 H 1 0.782 0.005 . 2 . . . . . 32 LEU MD2 . 51211 1 202 . 1 . 1 39 39 LEU HD22 H 1 0.782 0.005 . 2 . . . . . 32 LEU MD2 . 51211 1 203 . 1 . 1 39 39 LEU HD23 H 1 0.782 0.005 . 2 . . . . . 32 LEU MD2 . 51211 1 204 . 1 . 1 39 39 LEU C C 13 176.029 0.000 . 1 . . . . . 32 LEU C . 51211 1 205 . 1 . 1 39 39 LEU CA C 13 54.572 0.034 . 1 . . . . . 32 LEU CA . 51211 1 206 . 1 . 1 39 39 LEU CB C 13 41.712 0.054 . 1 . . . . . 32 LEU CB . 51211 1 207 . 1 . 1 39 39 LEU CD1 C 13 25.844 0.000 . 2 . . . . . 32 LEU CD1 . 51211 1 208 . 1 . 1 39 39 LEU CD2 C 13 25.763 0.025 . 2 . . . . . 32 LEU CD2 . 51211 1 209 . 1 . 1 39 39 LEU N N 15 122.056 0.075 . 1 . . . . . 32 LEU N . 51211 1 210 . 1 . 1 40 40 LEU H H 1 8.255 0.006 . 1 . . . . . 33 LEU H . 51211 1 211 . 1 . 1 40 40 LEU HD11 H 1 0.892 0.000 . 2 . . . . . 33 LEU MD1 . 51211 1 212 . 1 . 1 40 40 LEU HD12 H 1 0.892 0.000 . 2 . . . . . 33 LEU MD1 . 51211 1 213 . 1 . 1 40 40 LEU HD13 H 1 0.892 0.000 . 2 . . . . . 33 LEU MD1 . 51211 1 214 . 1 . 1 40 40 LEU HD21 H 1 0.782 0.005 . 2 . . . . . 33 LEU MD2 . 51211 1 215 . 1 . 1 40 40 LEU HD22 H 1 0.782 0.005 . 2 . . . . . 33 LEU MD2 . 51211 1 216 . 1 . 1 40 40 LEU HD23 H 1 0.782 0.005 . 2 . . . . . 33 LEU MD2 . 51211 1 217 . 1 . 1 40 40 LEU C C 13 176.566 0.000 . 1 . . . . . 33 LEU C . 51211 1 218 . 1 . 1 40 40 LEU CA C 13 54.453 0.096 . 1 . . . . . 33 LEU CA . 51211 1 219 . 1 . 1 40 40 LEU CB C 13 41.575 0.051 . 1 . . . . . 33 LEU CB . 51211 1 220 . 1 . 1 40 40 LEU CD1 C 13 25.711 0.000 . 2 . . . . . 33 LEU CD1 . 51211 1 221 . 1 . 1 40 40 LEU CD2 C 13 25.763 0.025 . 2 . . . . . 33 LEU CD2 . 51211 1 222 . 1 . 1 40 40 LEU N N 15 125.513 0.026 . 1 . . . . . 33 LEU N . 51211 1 223 . 1 . 1 41 41 LEU H H 1 8.202 0.003 . 1 . . . . . 34 LEU H . 51211 1 224 . 1 . 1 41 41 LEU HD11 H 1 0.894 0.022 . 2 . . . . . 34 LEU MD1 . 51211 1 225 . 1 . 1 41 41 LEU HD12 H 1 0.894 0.022 . 2 . . . . . 34 LEU MD1 . 51211 1 226 . 1 . 1 41 41 LEU HD13 H 1 0.894 0.022 . 2 . . . . . 34 LEU MD1 . 51211 1 227 . 1 . 1 41 41 LEU HD21 H 1 0.894 0.022 . 2 . . . . . 34 LEU MD2 . 51211 1 228 . 1 . 1 41 41 LEU HD22 H 1 0.894 0.022 . 2 . . . . . 34 LEU MD2 . 51211 1 229 . 1 . 1 41 41 LEU HD23 H 1 0.894 0.022 . 2 . . . . . 34 LEU MD2 . 51211 1 230 . 1 . 1 41 41 LEU CA C 13 55.014 0.000 . 1 . . . . . 34 LEU CA . 51211 1 231 . 1 . 1 41 41 LEU CB C 13 43.013 0.000 . 1 . . . . . 34 LEU CB . 51211 1 232 . 1 . 1 41 41 LEU CD1 C 13 24.575 0.032 . 2 . . . . . 34 LEU CD1 . 51211 1 233 . 1 . 1 41 41 LEU CD2 C 13 24.575 0.032 . 2 . . . . . 34 LEU CD2 . 51211 1 234 . 1 . 1 41 41 LEU N N 15 124.399 0.039 . 1 . . . . . 34 LEU N . 51211 1 235 . 1 . 1 43 43 ARG C C 13 177.414 0.000 . 1 . . . . . 36 ARG C . 51211 1 236 . 1 . 1 43 43 ARG CA C 13 59.241 0.016 . 1 . . . . . 36 ARG CA . 51211 1 237 . 1 . 1 43 43 ARG CB C 13 28.879 0.107 . 1 . . . . . 36 ARG CB . 51211 1 238 . 1 . 1 44 44 ASP H H 1 8.536 0.007 . 1 . . . . . 37 ASP H . 51211 1 239 . 1 . 1 44 44 ASP C C 13 178.777 0.000 . 1 . . . . . 37 ASP C . 51211 1 240 . 1 . 1 44 44 ASP CA C 13 56.346 0.022 . 1 . . . . . 37 ASP CA . 51211 1 241 . 1 . 1 44 44 ASP CB C 13 38.797 0.037 . 1 . . . . . 37 ASP CB . 51211 1 242 . 1 . 1 44 44 ASP N N 15 114.739 0.042 . 1 . . . . . 37 ASP N . 51211 1 243 . 1 . 1 45 45 VAL H H 1 7.088 0.005 . 1 . . . . . 38 VAL H . 51211 1 244 . 1 . 1 45 45 VAL HG11 H 1 0.954 0.079 . 2 . . . . . 38 VAL MG1 . 51211 1 245 . 1 . 1 45 45 VAL HG12 H 1 0.954 0.079 . 2 . . . . . 38 VAL MG1 . 51211 1 246 . 1 . 1 45 45 VAL HG13 H 1 0.954 0.079 . 2 . . . . . 38 VAL MG1 . 51211 1 247 . 1 . 1 45 45 VAL HG21 H 1 0.800 0.004 . 2 . . . . . 38 VAL MG2 . 51211 1 248 . 1 . 1 45 45 VAL HG22 H 1 0.800 0.004 . 2 . . . . . 38 VAL MG2 . 51211 1 249 . 1 . 1 45 45 VAL HG23 H 1 0.800 0.004 . 2 . . . . . 38 VAL MG2 . 51211 1 250 . 1 . 1 45 45 VAL C C 13 178.208 0.000 . 1 . . . . . 38 VAL C . 51211 1 251 . 1 . 1 45 45 VAL CA C 13 65.225 0.026 . 1 . . . . . 38 VAL CA . 51211 1 252 . 1 . 1 45 45 VAL CB C 13 31.201 0.000 . 1 . . . . . 38 VAL CB . 51211 1 253 . 1 . 1 45 45 VAL CG1 C 13 22.320 0.022 . 2 . . . . . 38 VAL CG1 . 51211 1 254 . 1 . 1 45 45 VAL CG2 C 13 20.704 0.028 . 2 . . . . . 38 VAL CG2 . 51211 1 255 . 1 . 1 45 45 VAL N N 15 121.076 0.058 . 1 . . . . . 38 VAL N . 51211 1 256 . 1 . 1 46 46 VAL H H 1 7.558 0.004 . 1 . . . . . 39 VAL H . 51211 1 257 . 1 . 1 46 46 VAL HG11 H 1 1.127 0.022 . 2 . . . . . 39 VAL MG1 . 51211 1 258 . 1 . 1 46 46 VAL HG12 H 1 1.127 0.022 . 2 . . . . . 39 VAL MG1 . 51211 1 259 . 1 . 1 46 46 VAL HG13 H 1 1.127 0.022 . 2 . . . . . 39 VAL MG1 . 51211 1 260 . 1 . 1 46 46 VAL HG21 H 1 1.103 0.001 . 2 . . . . . 39 VAL MG2 . 51211 1 261 . 1 . 1 46 46 VAL HG22 H 1 1.103 0.001 . 2 . . . . . 39 VAL MG2 . 51211 1 262 . 1 . 1 46 46 VAL HG23 H 1 1.103 0.001 . 2 . . . . . 39 VAL MG2 . 51211 1 263 . 1 . 1 46 46 VAL C C 13 178.023 0.000 . 1 . . . . . 39 VAL C . 51211 1 264 . 1 . 1 46 46 VAL CA C 13 66.478 0.165 . 1 . . . . . 39 VAL CA . 51211 1 265 . 1 . 1 46 46 VAL CB C 13 31.066 0.053 . 1 . . . . . 39 VAL CB . 51211 1 266 . 1 . 1 46 46 VAL CG1 C 13 23.388 0.056 . 2 . . . . . 39 VAL CG1 . 51211 1 267 . 1 . 1 46 46 VAL CG2 C 13 24.109 0.000 . 2 . . . . . 39 VAL CG2 . 51211 1 268 . 1 . 1 46 46 VAL N N 15 119.968 0.044 . 1 . . . . . 39 VAL N . 51211 1 269 . 1 . 1 47 47 GLU H H 1 8.739 0.007 . 1 . . . . . 40 GLU H . 51211 1 270 . 1 . 1 47 47 GLU CA C 13 59.659 0.000 . 1 . . . . . 40 GLU CA . 51211 1 271 . 1 . 1 47 47 GLU CB C 13 27.694 0.000 . 1 . . . . . 40 GLU CB . 51211 1 272 . 1 . 1 47 47 GLU N N 15 117.250 0.021 . 1 . . . . . 40 GLU N . 51211 1 273 . 1 . 1 49 49 TRP HE1 H 1 10.204 0.012 . 1 . . . . . 42 TRP HE1 . 51211 1 274 . 1 . 1 49 49 TRP C C 13 178.250 0.000 . 1 . . . . . 42 TRP C . 51211 1 275 . 1 . 1 49 49 TRP CA C 13 59.945 0.095 . 1 . . . . . 42 TRP CA . 51211 1 276 . 1 . 1 49 49 TRP CB C 13 29.456 0.016 . 1 . . . . . 42 TRP CB . 51211 1 277 . 1 . 1 49 49 TRP NE1 N 15 129.085 0.073 . 1 . . . . . 42 TRP NE1 . 51211 1 278 . 1 . 1 50 50 LEU H H 1 8.527 0.009 . 1 . . . . . 43 LEU H . 51211 1 279 . 1 . 1 50 50 LEU HD11 H 1 0.514 0.000 . 2 . . . . . 43 LEU MD1 . 51211 1 280 . 1 . 1 50 50 LEU HD12 H 1 0.514 0.000 . 2 . . . . . 43 LEU MD1 . 51211 1 281 . 1 . 1 50 50 LEU HD13 H 1 0.514 0.000 . 2 . . . . . 43 LEU MD1 . 51211 1 282 . 1 . 1 50 50 LEU HD21 H 1 0.514 0.000 . 2 . . . . . 43 LEU MD2 . 51211 1 283 . 1 . 1 50 50 LEU HD22 H 1 0.514 0.000 . 2 . . . . . 43 LEU MD2 . 51211 1 284 . 1 . 1 50 50 LEU HD23 H 1 0.514 0.000 . 2 . . . . . 43 LEU MD2 . 51211 1 285 . 1 . 1 50 50 LEU CA C 13 57.748 0.000 . 1 . . . . . 43 LEU CA . 51211 1 286 . 1 . 1 50 50 LEU CB C 13 40.508 0.000 . 1 . . . . . 43 LEU CB . 51211 1 287 . 1 . 1 50 50 LEU CD1 C 13 22.962 0.000 . 2 . . . . . 43 LEU CD1 . 51211 1 288 . 1 . 1 50 50 LEU CD2 C 13 23.016 0.000 . 2 . . . . . 43 LEU CD2 . 51211 1 289 . 1 . 1 50 50 LEU N N 15 118.135 0.023 . 1 . . . . . 43 LEU N . 51211 1 290 . 1 . 1 51 51 HIS C C 13 176.544 0.000 . 1 . . . . . 44 HIS C . 51211 1 291 . 1 . 1 51 51 HIS CA C 13 56.972 0.026 . 1 . . . . . 44 HIS CA . 51211 1 292 . 1 . 1 51 51 HIS CB C 13 28.787 0.007 . 1 . . . . . 44 HIS CB . 51211 1 293 . 1 . 1 52 52 ALA H H 1 7.874 0.004 . 1 . . . . . 45 ALA H . 51211 1 294 . 1 . 1 52 52 ALA HB1 H 1 1.373 0.020 . 1 . . . . . 45 ALA MB . 51211 1 295 . 1 . 1 52 52 ALA HB2 H 1 1.373 0.020 . 1 . . . . . 45 ALA MB . 51211 1 296 . 1 . 1 52 52 ALA HB3 H 1 1.373 0.020 . 1 . . . . . 45 ALA MB . 51211 1 297 . 1 . 1 52 52 ALA C C 13 178.938 0.000 . 1 . . . . . 45 ALA C . 51211 1 298 . 1 . 1 52 52 ALA CA C 13 53.417 0.020 . 1 . . . . . 45 ALA CA . 51211 1 299 . 1 . 1 52 52 ALA CB C 13 17.652 0.017 . 1 . . . . . 45 ALA CB . 51211 1 300 . 1 . 1 52 52 ALA N N 15 122.788 0.038 . 1 . . . . . 45 ALA N . 51211 1 301 . 1 . 1 53 53 GLN H H 1 8.032 0.006 . 1 . . . . . 46 GLN H . 51211 1 302 . 1 . 1 53 53 GLN HE21 H 1 7.164 0.005 . 2 . . . . . 46 GLN HE21 . 51211 1 303 . 1 . 1 53 53 GLN HE22 H 1 6.572 0.006 . 2 . . . . . 46 GLN HE22 . 51211 1 304 . 1 . 1 53 53 GLN C C 13 176.908 0.000 . 1 . . . . . 46 GLN C . 51211 1 305 . 1 . 1 53 53 GLN CA C 13 55.847 0.023 . 1 . . . . . 46 GLN CA . 51211 1 306 . 1 . 1 53 53 GLN CB C 13 27.686 0.039 . 1 . . . . . 46 GLN CB . 51211 1 307 . 1 . 1 53 53 GLN CG C 13 32.227 0.000 . 1 . . . . . 46 GLN CG . 51211 1 308 . 1 . 1 53 53 GLN CD C 13 179.803 0.002 . 1 . . . . . 46 GLN CD . 51211 1 309 . 1 . 1 53 53 GLN N N 15 117.352 0.078 . 1 . . . . . 46 GLN N . 51211 1 310 . 1 . 1 53 53 GLN NE2 N 15 111.763 0.210 . 1 . . . . . 46 GLN NE2 . 51211 1 311 . 1 . 1 54 54 GLY H H 1 7.933 0.007 . 1 . . . . . 47 GLY H . 51211 1 312 . 1 . 1 54 54 GLY C C 13 174.463 0.000 . 1 . . . . . 47 GLY C . 51211 1 313 . 1 . 1 54 54 GLY CA C 13 45.105 0.053 . 1 . . . . . 47 GLY CA . 51211 1 314 . 1 . 1 54 54 GLY N N 15 107.866 0.046 . 1 . . . . . 47 GLY N . 51211 1 315 . 1 . 1 55 55 GLN H H 1 7.977 0.006 . 1 . . . . . 48 GLN H . 51211 1 316 . 1 . 1 55 55 GLN HE21 H 1 7.427 0.005 . 2 . . . . . 48 GLN HE21 . 51211 1 317 . 1 . 1 55 55 GLN HE22 H 1 6.774 0.005 . 2 . . . . . 48 GLN HE22 . 51211 1 318 . 1 . 1 55 55 GLN C C 13 176.548 0.000 . 1 . . . . . 48 GLN C . 51211 1 319 . 1 . 1 55 55 GLN CA C 13 55.633 0.048 . 1 . . . . . 48 GLN CA . 51211 1 320 . 1 . 1 55 55 GLN CB C 13 28.096 0.067 . 1 . . . . . 48 GLN CB . 51211 1 321 . 1 . 1 55 55 GLN CG C 13 32.880 0.019 . 1 . . . . . 48 GLN CG . 51211 1 322 . 1 . 1 55 55 GLN CD C 13 180.326 0.011 . 1 . . . . . 48 GLN CD . 51211 1 323 . 1 . 1 55 55 GLN N N 15 119.108 0.068 . 1 . . . . . 48 GLN N . 51211 1 324 . 1 . 1 55 55 GLN NE2 N 15 112.134 0.123 . 1 . . . . . 48 GLN NE2 . 51211 1 325 . 1 . 1 56 56 GLY H H 1 8.405 0.011 . 1 . . . . . 49 GLY H . 51211 1 326 . 1 . 1 56 56 GLY C C 13 173.991 0.000 . 1 . . . . . 49 GLY C . 51211 1 327 . 1 . 1 56 56 GLY CA C 13 44.727 0.059 . 1 . . . . . 49 GLY CA . 51211 1 328 . 1 . 1 56 56 GLY N N 15 109.387 0.071 . 1 . . . . . 49 GLY N . 51211 1 329 . 1 . 1 57 57 GLN H H 1 8.280 0.009 . 1 . . . . . 50 GLN H . 51211 1 330 . 1 . 1 57 57 GLN HE21 H 1 7.505 0.009 . 2 . . . . . 50 GLN HE21 . 51211 1 331 . 1 . 1 57 57 GLN HE22 H 1 6.822 0.009 . 2 . . . . . 50 GLN HE22 . 51211 1 332 . 1 . 1 57 57 GLN CA C 13 55.773 0.000 . 1 . . . . . 50 GLN CA . 51211 1 333 . 1 . 1 57 57 GLN CB C 13 28.208 0.046 . 1 . . . . . 50 GLN CB . 51211 1 334 . 1 . 1 57 57 GLN CG C 13 32.962 0.026 . 1 . . . . . 50 GLN CG . 51211 1 335 . 1 . 1 57 57 GLN CD C 13 180.332 0.012 . 1 . . . . . 50 GLN CD . 51211 1 336 . 1 . 1 57 57 GLN N N 15 121.208 0.049 . 1 . . . . . 50 GLN N . 51211 1 337 . 1 . 1 57 57 GLN NE2 N 15 112.370 0.153 . 1 . . . . . 50 GLN NE2 . 51211 1 338 . 1 . 1 58 58 PRO C C 13 177.028 0.000 . 1 . . . . . 51 PRO C . 51211 1 339 . 1 . 1 58 58 PRO CA C 13 63.486 0.024 . 1 . . . . . 51 PRO CA . 51211 1 340 . 1 . 1 58 58 PRO CB C 13 30.861 0.084 . 1 . . . . . 51 PRO CB . 51211 1 341 . 1 . 1 59 59 SER H H 1 8.136 0.005 . 1 . . . . . 52 SER H . 51211 1 342 . 1 . 1 59 59 SER C C 13 174.432 0.000 . 1 . . . . . 52 SER C . 51211 1 343 . 1 . 1 59 59 SER CA C 13 58.094 0.032 . 1 . . . . . 52 SER CA . 51211 1 344 . 1 . 1 59 59 SER CB C 13 63.224 0.096 . 1 . . . . . 52 SER CB . 51211 1 345 . 1 . 1 59 59 SER N N 15 114.427 0.039 . 1 . . . . . 52 SER N . 51211 1 346 . 1 . 1 60 60 LEU H H 1 8.187 0.006 . 1 . . . . . 53 LEU H . 51211 1 347 . 1 . 1 60 60 LEU HD11 H 1 0.806 0.039 . 2 . . . . . 53 LEU MD1 . 51211 1 348 . 1 . 1 60 60 LEU HD12 H 1 0.806 0.039 . 2 . . . . . 53 LEU MD1 . 51211 1 349 . 1 . 1 60 60 LEU HD13 H 1 0.806 0.039 . 2 . . . . . 53 LEU MD1 . 51211 1 350 . 1 . 1 60 60 LEU HD21 H 1 0.806 0.039 . 2 . . . . . 53 LEU MD2 . 51211 1 351 . 1 . 1 60 60 LEU HD22 H 1 0.806 0.039 . 2 . . . . . 53 LEU MD2 . 51211 1 352 . 1 . 1 60 60 LEU HD23 H 1 0.806 0.039 . 2 . . . . . 53 LEU MD2 . 51211 1 353 . 1 . 1 60 60 LEU C C 13 177.226 0.000 . 1 . . . . . 53 LEU C . 51211 1 354 . 1 . 1 60 60 LEU CA C 13 55.182 0.020 . 1 . . . . . 53 LEU CA . 51211 1 355 . 1 . 1 60 60 LEU CB C 13 41.090 0.028 . 1 . . . . . 53 LEU CB . 51211 1 356 . 1 . 1 60 60 LEU CD1 C 13 25.029 0.018 . 2 . . . . . 53 LEU CD1 . 51211 1 357 . 1 . 1 60 60 LEU CD2 C 13 25.029 0.018 . 2 . . . . . 53 LEU CD2 . 51211 1 358 . 1 . 1 60 60 LEU N N 15 123.065 0.020 . 1 . . . . . 53 LEU N . 51211 1 359 . 1 . 1 61 61 SER H H 1 8.194 0.009 . 1 . . . . . 54 SER H . 51211 1 360 . 1 . 1 61 61 SER C C 13 174.280 0.000 . 1 . . . . . 54 SER C . 51211 1 361 . 1 . 1 61 61 SER CA C 13 58.285 0.173 . 1 . . . . . 54 SER CA . 51211 1 362 . 1 . 1 61 61 SER CB C 13 63.226 0.060 . 1 . . . . . 54 SER CB . 51211 1 363 . 1 . 1 61 61 SER N N 15 116.478 0.023 . 1 . . . . . 54 SER N . 51211 1 364 . 1 . 1 62 62 VAL H H 1 7.822 0.006 . 1 . . . . . 55 VAL H . 51211 1 365 . 1 . 1 62 62 VAL HG11 H 1 0.886 0.008 . 2 . . . . . 55 VAL MG1 . 51211 1 366 . 1 . 1 62 62 VAL HG12 H 1 0.886 0.008 . 2 . . . . . 55 VAL MG1 . 51211 1 367 . 1 . 1 62 62 VAL HG13 H 1 0.886 0.008 . 2 . . . . . 55 VAL MG1 . 51211 1 368 . 1 . 1 62 62 VAL HG21 H 1 0.886 0.008 . 2 . . . . . 55 VAL MG2 . 51211 1 369 . 1 . 1 62 62 VAL HG22 H 1 0.886 0.008 . 2 . . . . . 55 VAL MG2 . 51211 1 370 . 1 . 1 62 62 VAL HG23 H 1 0.886 0.008 . 2 . . . . . 55 VAL MG2 . 51211 1 371 . 1 . 1 62 62 VAL C C 13 175.329 0.000 . 1 . . . . . 55 VAL C . 51211 1 372 . 1 . 1 62 62 VAL CA C 13 61.087 0.072 . 1 . . . . . 55 VAL CA . 51211 1 373 . 1 . 1 62 62 VAL CB C 13 32.079 0.109 . 1 . . . . . 55 VAL CB . 51211 1 374 . 1 . 1 62 62 VAL N N 15 120.074 0.109 . 1 . . . . . 55 VAL N . 51211 1 375 . 1 . 1 63 63 ALA H H 1 8.201 0.003 . 1 . . . . . 56 ALA H . 51211 1 376 . 1 . 1 63 63 ALA HB1 H 1 1.380 0.013 . 1 . . . . . 56 ALA MB . 51211 1 377 . 1 . 1 63 63 ALA HB2 H 1 1.380 0.013 . 1 . . . . . 56 ALA MB . 51211 1 378 . 1 . 1 63 63 ALA HB3 H 1 1.380 0.013 . 1 . . . . . 56 ALA MB . 51211 1 379 . 1 . 1 63 63 ALA C C 13 177.250 0.000 . 1 . . . . . 56 ALA C . 51211 1 380 . 1 . 1 63 63 ALA CA C 13 51.339 0.024 . 1 . . . . . 56 ALA CA . 51211 1 381 . 1 . 1 63 63 ALA CB C 13 18.259 0.030 . 1 . . . . . 56 ALA CB . 51211 1 382 . 1 . 1 63 63 ALA N N 15 127.580 0.039 . 1 . . . . . 56 ALA N . 51211 1 383 . 1 . 1 64 64 LEU H H 1 8.576 0.011 . 1 . . . . . 57 LEU H . 51211 1 384 . 1 . 1 64 64 LEU HD11 H 1 0.797 0.000 . 2 . . . . . 57 LEU MD1 . 51211 1 385 . 1 . 1 64 64 LEU HD12 H 1 0.797 0.000 . 2 . . . . . 57 LEU MD1 . 51211 1 386 . 1 . 1 64 64 LEU HD13 H 1 0.797 0.000 . 2 . . . . . 57 LEU MD1 . 51211 1 387 . 1 . 1 64 64 LEU HD21 H 1 0.797 0.000 . 2 . . . . . 57 LEU MD2 . 51211 1 388 . 1 . 1 64 64 LEU HD22 H 1 0.797 0.000 . 2 . . . . . 57 LEU MD2 . 51211 1 389 . 1 . 1 64 64 LEU HD23 H 1 0.797 0.000 . 2 . . . . . 57 LEU MD2 . 51211 1 390 . 1 . 1 64 64 LEU CA C 13 52.252 0.009 . 1 . . . . . 57 LEU CA . 51211 1 391 . 1 . 1 64 64 LEU CB C 13 42.274 0.000 . 1 . . . . . 57 LEU CB . 51211 1 392 . 1 . 1 64 64 LEU N N 15 123.874 0.034 . 1 . . . . . 57 LEU N . 51211 1 393 . 1 . 1 65 65 PRO C C 13 173.687 0.000 . 1 . . . . . 58 PRO C . 51211 1 394 . 1 . 1 65 65 PRO CA C 13 62.878 0.000 . 1 . . . . . 58 PRO CA . 51211 1 395 . 1 . 1 65 65 PRO CB C 13 32.240 0.012 . 1 . . . . . 58 PRO CB . 51211 1 396 . 1 . 1 66 66 LEU H H 1 7.282 0.007 . 1 . . . . . 59 LEU H . 51211 1 397 . 1 . 1 66 66 LEU HD11 H 1 0.495 0.095 . 2 . . . . . 59 LEU MD1 . 51211 1 398 . 1 . 1 66 66 LEU HD12 H 1 0.495 0.095 . 2 . . . . . 59 LEU MD1 . 51211 1 399 . 1 . 1 66 66 LEU HD13 H 1 0.495 0.095 . 2 . . . . . 59 LEU MD1 . 51211 1 400 . 1 . 1 66 66 LEU HD21 H 1 0.414 0.126 . 2 . . . . . 59 LEU MD2 . 51211 1 401 . 1 . 1 66 66 LEU HD22 H 1 0.414 0.126 . 2 . . . . . 59 LEU MD2 . 51211 1 402 . 1 . 1 66 66 LEU HD23 H 1 0.414 0.126 . 2 . . . . . 59 LEU MD2 . 51211 1 403 . 1 . 1 66 66 LEU C C 13 177.553 0.000 . 1 . . . . . 59 LEU C . 51211 1 404 . 1 . 1 66 66 LEU CA C 13 51.488 0.044 . 1 . . . . . 59 LEU CA . 51211 1 405 . 1 . 1 66 66 LEU CB C 13 43.959 0.025 . 1 . . . . . 59 LEU CB . 51211 1 406 . 1 . 1 66 66 LEU CD1 C 13 24.310 0.037 . 2 . . . . . 59 LEU CD1 . 51211 1 407 . 1 . 1 66 66 LEU CD2 C 13 26.437 0.017 . 2 . . . . . 59 LEU CD2 . 51211 1 408 . 1 . 1 66 66 LEU N N 15 121.503 0.098 . 1 . . . . . 59 LEU N . 51211 1 409 . 1 . 1 67 67 ASN H H 1 8.196 0.019 . 1 . . . . . 60 ASN H . 51211 1 410 . 1 . 1 67 67 ASN C C 13 172.901 0.000 . 1 . . . . . 60 ASN C . 51211 1 411 . 1 . 1 67 67 ASN CA C 13 49.947 0.031 . 1 . . . . . 60 ASN CA . 51211 1 412 . 1 . 1 67 67 ASN CB C 13 41.136 0.029 . 1 . . . . . 60 ASN CB . 51211 1 413 . 1 . 1 67 67 ASN N N 15 122.784 0.052 . 1 . . . . . 60 ASN N . 51211 1 414 . 1 . 1 68 68 ILE H H 1 7.080 0.009 . 1 . . . . . 61 ILE H . 51211 1 415 . 1 . 1 68 68 ILE HG21 H 1 0.676 0.015 . 9 . . . . . 61 ILE MG . 51211 1 416 . 1 . 1 68 68 ILE HG22 H 1 0.676 0.015 . 9 . . . . . 61 ILE MG . 51211 1 417 . 1 . 1 68 68 ILE HG23 H 1 0.676 0.015 . 9 . . . . . 61 ILE MG . 51211 1 418 . 1 . 1 68 68 ILE HD11 H 1 0.009 0.025 . 1 . . . . . 61 ILE MD . 51211 1 419 . 1 . 1 68 68 ILE HD12 H 1 0.009 0.025 . 1 . . . . . 61 ILE MD . 51211 1 420 . 1 . 1 68 68 ILE HD13 H 1 0.009 0.025 . 1 . . . . . 61 ILE MD . 51211 1 421 . 1 . 1 68 68 ILE C C 13 177.705 0.000 . 1 . . . . . 61 ILE C . 51211 1 422 . 1 . 1 68 68 ILE CA C 13 58.037 0.042 . 1 . . . . . 61 ILE CA . 51211 1 423 . 1 . 1 68 68 ILE CB C 13 35.778 0.028 . 1 . . . . . 61 ILE CB . 51211 1 424 . 1 . 1 68 68 ILE CG2 C 13 18.288 0.000 . 9 . . . . . 61 ILE CG2 . 51211 1 425 . 1 . 1 68 68 ILE CD1 C 13 11.428 0.006 . 1 . . . . . 61 ILE CD1 . 51211 1 426 . 1 . 1 68 68 ILE N N 15 114.428 0.071 . 1 . . . . . 61 ILE N . 51211 1 427 . 1 . 1 69 69 ASN H H 1 9.375 0.009 . 1 . . . . . 62 ASN H . 51211 1 428 . 1 . 1 69 69 ASN HD21 H 1 7.773 0.009 . 2 . . . . . 62 ASN HD21 . 51211 1 429 . 1 . 1 69 69 ASN HD22 H 1 7.492 0.004 . 2 . . . . . 62 ASN HD22 . 51211 1 430 . 1 . 1 69 69 ASN C C 13 173.467 0.000 . 1 . . . . . 62 ASN C . 51211 1 431 . 1 . 1 69 69 ASN CA C 13 54.629 0.017 . 1 . . . . . 62 ASN CA . 51211 1 432 . 1 . 1 69 69 ASN CB C 13 36.986 0.034 . 1 . . . . . 62 ASN CB . 51211 1 433 . 1 . 1 69 69 ASN CG C 13 178.271 0.001 . 1 . . . . . 62 ASN CG . 51211 1 434 . 1 . 1 69 69 ASN N N 15 121.542 0.050 . 1 . . . . . 62 ASN N . 51211 1 435 . 1 . 1 69 69 ASN ND2 N 15 113.520 0.197 . 1 . . . . . 62 ASN ND2 . 51211 1 436 . 1 . 1 70 70 HIS H H 1 6.671 0.007 . 1 . . . . . 63 HIS H . 51211 1 437 . 1 . 1 70 70 HIS C C 13 172.969 0.000 . 1 . . . . . 63 HIS C . 51211 1 438 . 1 . 1 70 70 HIS CA C 13 58.181 0.042 . 1 . . . . . 63 HIS CA . 51211 1 439 . 1 . 1 70 70 HIS CB C 13 25.944 0.036 . 1 . . . . . 63 HIS CB . 51211 1 440 . 1 . 1 70 70 HIS N N 15 106.336 0.059 . 1 . . . . . 63 HIS N . 51211 1 441 . 1 . 1 71 71 ASP H H 1 7.454 0.004 . 1 . . . . . 64 ASP H . 51211 1 442 . 1 . 1 71 71 ASP C C 13 176.568 0.000 . 1 . . . . . 64 ASP C . 51211 1 443 . 1 . 1 71 71 ASP CA C 13 52.500 0.086 . 1 . . . . . 64 ASP CA . 51211 1 444 . 1 . 1 71 71 ASP CB C 13 40.532 0.042 . 1 . . . . . 64 ASP CB . 51211 1 445 . 1 . 1 71 71 ASP N N 15 120.683 0.047 . 1 . . . . . 64 ASP N . 51211 1 446 . 1 . 1 72 72 ASP H H 1 8.516 0.005 . 1 . . . . . 65 ASP H . 51211 1 447 . 1 . 1 72 72 ASP C C 13 177.407 0.000 . 1 . . . . . 65 ASP C . 51211 1 448 . 1 . 1 72 72 ASP CA C 13 55.673 0.028 . 1 . . . . . 65 ASP CA . 51211 1 449 . 1 . 1 72 72 ASP CB C 13 39.942 0.085 . 1 . . . . . 65 ASP CB . 51211 1 450 . 1 . 1 72 72 ASP N N 15 125.691 0.048 . 1 . . . . . 65 ASP N . 51211 1 451 . 1 . 1 73 73 THR H H 1 8.663 0.008 . 1 . . . . . 66 THR H . 51211 1 452 . 1 . 1 73 73 THR HG21 H 1 1.171 0.001 . 1 . . . . . 66 THR MG . 51211 1 453 . 1 . 1 73 73 THR HG22 H 1 1.171 0.001 . 1 . . . . . 66 THR MG . 51211 1 454 . 1 . 1 73 73 THR HG23 H 1 1.171 0.001 . 1 . . . . . 66 THR MG . 51211 1 455 . 1 . 1 73 73 THR C C 13 173.276 0.000 . 1 . . . . . 66 THR C . 51211 1 456 . 1 . 1 73 73 THR CA C 13 61.982 0.208 . 1 . . . . . 66 THR CA . 51211 1 457 . 1 . 1 73 73 THR CB C 13 69.033 0.076 . 1 . . . . . 66 THR CB . 51211 1 458 . 1 . 1 73 73 THR CG2 C 13 22.327 0.000 . 1 . . . . . 66 THR CG2 . 51211 1 459 . 1 . 1 73 73 THR N N 15 110.250 0.082 . 1 . . . . . 66 THR N . 51211 1 460 . 1 . 1 74 74 ALA H H 1 7.914 0.009 . 1 . . . . . 67 ALA H . 51211 1 461 . 1 . 1 74 74 ALA HB1 H 1 1.238 0.003 . 1 . . . . . 67 ALA MB . 51211 1 462 . 1 . 1 74 74 ALA HB2 H 1 1.238 0.003 . 1 . . . . . 67 ALA MB . 51211 1 463 . 1 . 1 74 74 ALA HB3 H 1 1.238 0.003 . 1 . . . . . 67 ALA MB . 51211 1 464 . 1 . 1 74 74 ALA C C 13 175.520 0.000 . 1 . . . . . 67 ALA C . 51211 1 465 . 1 . 1 74 74 ALA CA C 13 48.819 0.043 . 1 . . . . . 67 ALA CA . 51211 1 466 . 1 . 1 74 74 ALA CB C 13 18.182 0.016 . 1 . . . . . 67 ALA CB . 51211 1 467 . 1 . 1 74 74 ALA N N 15 129.762 0.048 . 1 . . . . . 67 ALA N . 51211 1 468 . 1 . 1 75 75 VAL H H 1 7.231 0.006 . 1 . . . . . 68 VAL H . 51211 1 469 . 1 . 1 75 75 VAL HG11 H 1 1.144 0.012 . 2 . . . . . 68 VAL MG1 . 51211 1 470 . 1 . 1 75 75 VAL HG12 H 1 1.144 0.012 . 2 . . . . . 68 VAL MG1 . 51211 1 471 . 1 . 1 75 75 VAL HG13 H 1 1.144 0.012 . 2 . . . . . 68 VAL MG1 . 51211 1 472 . 1 . 1 75 75 VAL HG21 H 1 0.969 0.009 . 2 . . . . . 68 VAL MG2 . 51211 1 473 . 1 . 1 75 75 VAL HG22 H 1 0.969 0.009 . 2 . . . . . 68 VAL MG2 . 51211 1 474 . 1 . 1 75 75 VAL HG23 H 1 0.969 0.009 . 2 . . . . . 68 VAL MG2 . 51211 1 475 . 1 . 1 75 75 VAL C C 13 175.672 0.000 . 1 . . . . . 68 VAL C . 51211 1 476 . 1 . 1 75 75 VAL CA C 13 63.389 0.136 . 1 . . . . . 68 VAL CA . 51211 1 477 . 1 . 1 75 75 VAL CB C 13 30.648 0.024 . 1 . . . . . 68 VAL CB . 51211 1 478 . 1 . 1 75 75 VAL CG1 C 13 22.360 0.054 . 2 . . . . . 68 VAL CG1 . 51211 1 479 . 1 . 1 75 75 VAL CG2 C 13 22.683 0.016 . 2 . . . . . 68 VAL CG2 . 51211 1 480 . 1 . 1 75 75 VAL N N 15 120.615 0.035 . 1 . . . . . 68 VAL N . 51211 1 481 . 1 . 1 76 76 VAL H H 1 8.430 0.011 . 1 . . . . . 69 VAL H . 51211 1 482 . 1 . 1 76 76 VAL HG11 H 1 0.111 0.002 . 2 . . . . . 69 VAL MG1 . 51211 1 483 . 1 . 1 76 76 VAL HG12 H 1 0.111 0.002 . 2 . . . . . 69 VAL MG1 . 51211 1 484 . 1 . 1 76 76 VAL HG13 H 1 0.111 0.002 . 2 . . . . . 69 VAL MG1 . 51211 1 485 . 1 . 1 76 76 VAL HG21 H 1 -0.260 0.012 . 2 . . . . . 69 VAL MG2 . 51211 1 486 . 1 . 1 76 76 VAL HG22 H 1 -0.260 0.012 . 2 . . . . . 69 VAL MG2 . 51211 1 487 . 1 . 1 76 76 VAL HG23 H 1 -0.260 0.012 . 2 . . . . . 69 VAL MG2 . 51211 1 488 . 1 . 1 76 76 VAL C C 13 175.702 0.000 . 1 . . . . . 69 VAL C . 51211 1 489 . 1 . 1 76 76 VAL CA C 13 59.187 0.016 . 1 . . . . . 69 VAL CA . 51211 1 490 . 1 . 1 76 76 VAL CB C 13 31.788 0.033 . 1 . . . . . 69 VAL CB . 51211 1 491 . 1 . 1 76 76 VAL CG1 C 13 17.678 0.025 . 2 . . . . . 69 VAL CG1 . 51211 1 492 . 1 . 1 76 76 VAL CG2 C 13 21.413 0.011 . 2 . . . . . 69 VAL CG2 . 51211 1 493 . 1 . 1 76 76 VAL N N 15 114.505 0.047 . 1 . . . . . 69 VAL N . 51211 1 494 . 1 . 1 77 77 GLY H H 1 7.587 0.011 . 1 . . . . . 70 GLY H . 51211 1 495 . 1 . 1 77 77 GLY C C 13 172.709 0.000 . 1 . . . . . 70 GLY C . 51211 1 496 . 1 . 1 77 77 GLY CA C 13 45.869 0.009 . 1 . . . . . 70 GLY CA . 51211 1 497 . 1 . 1 77 77 GLY N N 15 109.183 0.071 . 1 . . . . . 70 GLY N . 51211 1 498 . 1 . 1 78 78 HIS H H 1 8.509 0.006 . 1 . . . . . 71 HIS H . 51211 1 499 . 1 . 1 78 78 HIS C C 13 173.122 0.000 . 1 . . . . . 71 HIS C . 51211 1 500 . 1 . 1 78 78 HIS CA C 13 54.623 0.046 . 1 . . . . . 71 HIS CA . 51211 1 501 . 1 . 1 78 78 HIS CB C 13 33.410 0.089 . 1 . . . . . 71 HIS CB . 51211 1 502 . 1 . 1 78 78 HIS N N 15 122.013 0.074 . 1 . . . . . 71 HIS N . 51211 1 503 . 1 . 1 79 79 VAL H H 1 8.995 0.008 . 1 . . . . . 72 VAL H . 51211 1 504 . 1 . 1 79 79 VAL HG11 H 1 0.889 0.010 . 2 . . . . . 72 VAL MG1 . 51211 1 505 . 1 . 1 79 79 VAL HG12 H 1 0.889 0.010 . 2 . . . . . 72 VAL MG1 . 51211 1 506 . 1 . 1 79 79 VAL HG13 H 1 0.889 0.010 . 2 . . . . . 72 VAL MG1 . 51211 1 507 . 1 . 1 79 79 VAL HG21 H 1 0.667 0.012 . 2 . . . . . 72 VAL MG2 . 51211 1 508 . 1 . 1 79 79 VAL HG22 H 1 0.667 0.012 . 2 . . . . . 72 VAL MG2 . 51211 1 509 . 1 . 1 79 79 VAL HG23 H 1 0.667 0.012 . 2 . . . . . 72 VAL MG2 . 51211 1 510 . 1 . 1 79 79 VAL C C 13 174.477 0.000 . 1 . . . . . 72 VAL C . 51211 1 511 . 1 . 1 79 79 VAL CA C 13 64.210 0.170 . 1 . . . . . 72 VAL CA . 51211 1 512 . 1 . 1 79 79 VAL CB C 13 31.119 0.041 . 1 . . . . . 72 VAL CB . 51211 1 513 . 1 . 1 79 79 VAL N N 15 121.765 0.050 . 1 . . . . . 72 VAL N . 51211 1 514 . 1 . 1 80 80 ALA H H 1 9.048 0.008 . 1 . . . . . 73 ALA H . 51211 1 515 . 1 . 1 80 80 ALA HB1 H 1 1.462 0.005 . 1 . . . . . 73 ALA MB . 51211 1 516 . 1 . 1 80 80 ALA HB2 H 1 1.462 0.005 . 1 . . . . . 73 ALA MB . 51211 1 517 . 1 . 1 80 80 ALA HB3 H 1 1.462 0.005 . 1 . . . . . 73 ALA MB . 51211 1 518 . 1 . 1 80 80 ALA C C 13 176.072 0.000 . 1 . . . . . 73 ALA C . 51211 1 519 . 1 . 1 80 80 ALA CA C 13 52.215 0.012 . 1 . . . . . 73 ALA CA . 51211 1 520 . 1 . 1 80 80 ALA CB C 13 20.084 0.004 . 1 . . . . . 73 ALA CB . 51211 1 521 . 1 . 1 80 80 ALA N N 15 132.227 0.038 . 1 . . . . . 73 ALA N . 51211 1 522 . 1 . 1 81 81 ALA H H 1 8.084 0.006 . 1 . . . . . 74 ALA H . 51211 1 523 . 1 . 1 81 81 ALA HB1 H 1 1.610 0.008 . 1 . . . . . 74 ALA MB . 51211 1 524 . 1 . 1 81 81 ALA HB2 H 1 1.610 0.008 . 1 . . . . . 74 ALA MB . 51211 1 525 . 1 . 1 81 81 ALA HB3 H 1 1.610 0.008 . 1 . . . . . 74 ALA MB . 51211 1 526 . 1 . 1 81 81 ALA C C 13 175.166 0.000 . 1 . . . . . 74 ALA C . 51211 1 527 . 1 . 1 81 81 ALA CA C 13 51.079 0.041 . 1 . . . . . 74 ALA CA . 51211 1 528 . 1 . 1 81 81 ALA CB C 13 24.130 0.010 . 1 . . . . . 74 ALA CB . 51211 1 529 . 1 . 1 81 81 ALA N N 15 116.137 0.045 . 1 . . . . . 74 ALA N . 51211 1 530 . 1 . 1 82 82 MET H H 1 8.864 0.008 . 1 . . . . . 75 MET H . 51211 1 531 . 1 . 1 82 82 MET HE1 H 1 1.690 0.000 . 1 . . . . . 75 MET ME . 51211 1 532 . 1 . 1 82 82 MET HE2 H 1 1.690 0.000 . 1 . . . . . 75 MET ME . 51211 1 533 . 1 . 1 82 82 MET HE3 H 1 1.690 0.000 . 1 . . . . . 75 MET ME . 51211 1 534 . 1 . 1 82 82 MET C C 13 174.463 0.000 . 1 . . . . . 75 MET C . 51211 1 535 . 1 . 1 82 82 MET CA C 13 54.752 0.062 . 1 . . . . . 75 MET CA . 51211 1 536 . 1 . 1 82 82 MET CB C 13 37.223 0.104 . 1 . . . . . 75 MET CB . 51211 1 537 . 1 . 1 82 82 MET CE C 13 17.475 0.005 . 1 . . . . . 75 MET CE . 51211 1 538 . 1 . 1 82 82 MET N N 15 119.927 0.043 . 1 . . . . . 75 MET N . 51211 1 539 . 1 . 1 83 83 GLN H H 1 9.018 0.005 . 1 . . . . . 76 GLN H . 51211 1 540 . 1 . 1 83 83 GLN HE21 H 1 7.214 0.007 . 2 . . . . . 76 GLN HE21 . 51211 1 541 . 1 . 1 83 83 GLN HE22 H 1 6.986 0.003 . 2 . . . . . 76 GLN HE22 . 51211 1 542 . 1 . 1 83 83 GLN C C 13 173.786 0.000 . 1 . . . . . 76 GLN C . 51211 1 543 . 1 . 1 83 83 GLN CA C 13 54.670 0.023 . 1 . . . . . 76 GLN CA . 51211 1 544 . 1 . 1 83 83 GLN CB C 13 32.828 0.048 . 1 . . . . . 76 GLN CB . 51211 1 545 . 1 . 1 83 83 GLN CD C 13 181.035 0.006 . 1 . . . . . 76 GLN CD . 51211 1 546 . 1 . 1 83 83 GLN N N 15 124.094 0.051 . 1 . . . . . 76 GLN N . 51211 1 547 . 1 . 1 83 83 GLN NE2 N 15 112.918 0.132 . 1 . . . . . 76 GLN NE2 . 51211 1 548 . 1 . 1 84 84 SER H H 1 9.353 0.006 . 1 . . . . . 77 SER H . 51211 1 549 . 1 . 1 84 84 SER C C 13 174.507 0.000 . 1 . . . . . 77 SER C . 51211 1 550 . 1 . 1 84 84 SER CA C 13 57.468 0.011 . 1 . . . . . 77 SER CA . 51211 1 551 . 1 . 1 84 84 SER CB C 13 61.592 0.034 . 1 . . . . . 77 SER CB . 51211 1 552 . 1 . 1 84 84 SER N N 15 124.408 0.048 . 1 . . . . . 77 SER N . 51211 1 553 . 1 . 1 85 85 VAL H H 1 9.219 0.004 . 1 . . . . . 78 VAL H . 51211 1 554 . 1 . 1 85 85 VAL HG11 H 1 0.947 0.148 . 2 . . . . . 78 VAL MG1 . 51211 1 555 . 1 . 1 85 85 VAL HG12 H 1 0.947 0.148 . 2 . . . . . 78 VAL MG1 . 51211 1 556 . 1 . 1 85 85 VAL HG13 H 1 0.947 0.148 . 2 . . . . . 78 VAL MG1 . 51211 1 557 . 1 . 1 85 85 VAL HG21 H 1 0.749 0.015 . 2 . . . . . 78 VAL MG2 . 51211 1 558 . 1 . 1 85 85 VAL HG22 H 1 0.749 0.015 . 2 . . . . . 78 VAL MG2 . 51211 1 559 . 1 . 1 85 85 VAL HG23 H 1 0.749 0.015 . 2 . . . . . 78 VAL MG2 . 51211 1 560 . 1 . 1 85 85 VAL C C 13 176.308 0.000 . 1 . . . . . 78 VAL C . 51211 1 561 . 1 . 1 85 85 VAL CA C 13 59.324 0.019 . 1 . . . . . 78 VAL CA . 51211 1 562 . 1 . 1 85 85 VAL CB C 13 32.300 0.016 . 1 . . . . . 78 VAL CB . 51211 1 563 . 1 . 1 85 85 VAL CG1 C 13 21.881 0.055 . 2 . . . . . 78 VAL CG1 . 51211 1 564 . 1 . 1 85 85 VAL CG2 C 13 21.881 0.055 . 2 . . . . . 78 VAL CG2 . 51211 1 565 . 1 . 1 85 85 VAL N N 15 124.957 0.069 . 1 . . . . . 78 VAL N . 51211 1 566 . 1 . 1 86 86 ARG H H 1 8.720 0.004 . 1 . . . . . 79 ARG H . 51211 1 567 . 1 . 1 86 86 ARG C C 13 178.649 0.000 . 1 . . . . . 79 ARG C . 51211 1 568 . 1 . 1 86 86 ARG CA C 13 60.413 0.051 . 1 . . . . . 79 ARG CA . 51211 1 569 . 1 . 1 86 86 ARG CB C 13 28.807 0.045 . 1 . . . . . 79 ARG CB . 51211 1 570 . 1 . 1 86 86 ARG N N 15 121.587 0.041 . 1 . . . . . 79 ARG N . 51211 1 571 . 1 . 1 87 87 ASP H H 1 8.458 0.007 . 1 . . . . . 80 ASP H . 51211 1 572 . 1 . 1 87 87 ASP C C 13 176.790 0.000 . 1 . . . . . 80 ASP C . 51211 1 573 . 1 . 1 87 87 ASP CA C 13 54.025 0.038 . 1 . . . . . 80 ASP CA . 51211 1 574 . 1 . 1 87 87 ASP CB C 13 41.133 0.012 . 1 . . . . . 80 ASP CB . 51211 1 575 . 1 . 1 87 87 ASP N N 15 110.931 0.040 . 1 . . . . . 80 ASP N . 51211 1 576 . 1 . 1 88 88 GLY H H 1 7.344 0.005 . 1 . . . . . 81 GLY H . 51211 1 577 . 1 . 1 88 88 GLY C C 13 169.090 0.000 . 1 . . . . . 81 GLY C . 51211 1 578 . 1 . 1 88 88 GLY CA C 13 45.190 0.016 . 1 . . . . . 81 GLY CA . 51211 1 579 . 1 . 1 88 88 GLY N N 15 109.024 0.045 . 1 . . . . . 81 GLY N . 51211 1 580 . 1 . 1 89 89 LEU H H 1 7.757 0.008 . 1 . . . . . 82 LEU H . 51211 1 581 . 1 . 1 89 89 LEU HD11 H 1 0.847 0.022 . 2 . . . . . 82 LEU MD1 . 51211 1 582 . 1 . 1 89 89 LEU HD12 H 1 0.847 0.022 . 2 . . . . . 82 LEU MD1 . 51211 1 583 . 1 . 1 89 89 LEU HD13 H 1 0.847 0.022 . 2 . . . . . 82 LEU MD1 . 51211 1 584 . 1 . 1 89 89 LEU HD21 H 1 0.847 0.022 . 2 . . . . . 82 LEU MD2 . 51211 1 585 . 1 . 1 89 89 LEU HD22 H 1 0.847 0.022 . 2 . . . . . 82 LEU MD2 . 51211 1 586 . 1 . 1 89 89 LEU HD23 H 1 0.847 0.022 . 2 . . . . . 82 LEU MD2 . 51211 1 587 . 1 . 1 89 89 LEU C C 13 173.223 0.000 . 1 . . . . . 82 LEU C . 51211 1 588 . 1 . 1 89 89 LEU CA C 13 53.227 0.171 . 1 . . . . . 82 LEU CA . 51211 1 589 . 1 . 1 89 89 LEU CB C 13 42.778 0.077 . 1 . . . . . 82 LEU CB . 51211 1 590 . 1 . 1 89 89 LEU CD1 C 13 26.390 0.003 . 2 . . . . . 82 LEU CD1 . 51211 1 591 . 1 . 1 89 89 LEU CD2 C 13 26.390 0.003 . 2 . . . . . 82 LEU CD2 . 51211 1 592 . 1 . 1 89 89 LEU N N 15 120.718 0.095 . 1 . . . . . 82 LEU N . 51211 1 593 . 1 . 1 90 90 PHE H H 1 9.141 0.006 . 1 . . . . . 83 PHE H . 51211 1 594 . 1 . 1 90 90 PHE C C 13 172.420 0.000 . 1 . . . . . 83 PHE C . 51211 1 595 . 1 . 1 90 90 PHE CA C 13 57.510 0.007 . 1 . . . . . 83 PHE CA . 51211 1 596 . 1 . 1 90 90 PHE CB C 13 41.138 0.028 . 1 . . . . . 83 PHE CB . 51211 1 597 . 1 . 1 90 90 PHE N N 15 130.314 0.034 . 1 . . . . . 83 PHE N . 51211 1 598 . 1 . 1 91 91 CYS H H 1 7.659 0.006 . 1 . . . . . 84 CYS H . 51211 1 599 . 1 . 1 91 91 CYS C C 13 169.689 0.000 . 1 . . . . . 84 CYS C . 51211 1 600 . 1 . 1 91 91 CYS CA C 13 55.724 0.082 . 1 . . . . . 84 CYS CA . 51211 1 601 . 1 . 1 91 91 CYS CB C 13 30.645 0.012 . 1 . . . . . 84 CYS CB . 51211 1 602 . 1 . 1 91 91 CYS N N 15 126.768 0.055 . 1 . . . . . 84 CYS N . 51211 1 603 . 1 . 1 92 92 LEU H H 1 8.715 0.010 . 1 . . . . . 85 LEU H . 51211 1 604 . 1 . 1 92 92 LEU HD11 H 1 0.723 0.085 . 2 . . . . . 85 LEU MD1 . 51211 1 605 . 1 . 1 92 92 LEU HD12 H 1 0.723 0.085 . 2 . . . . . 85 LEU MD1 . 51211 1 606 . 1 . 1 92 92 LEU HD13 H 1 0.723 0.085 . 2 . . . . . 85 LEU MD1 . 51211 1 607 . 1 . 1 92 92 LEU HD21 H 1 0.659 0.000 . 2 . . . . . 85 LEU MD2 . 51211 1 608 . 1 . 1 92 92 LEU HD22 H 1 0.659 0.000 . 2 . . . . . 85 LEU MD2 . 51211 1 609 . 1 . 1 92 92 LEU HD23 H 1 0.659 0.000 . 2 . . . . . 85 LEU MD2 . 51211 1 610 . 1 . 1 92 92 LEU C C 13 176.279 0.000 . 1 . . . . . 85 LEU C . 51211 1 611 . 1 . 1 92 92 LEU CA C 13 52.098 0.030 . 1 . . . . . 85 LEU CA . 51211 1 612 . 1 . 1 92 92 LEU CB C 13 45.833 0.054 . 1 . . . . . 85 LEU CB . 51211 1 613 . 1 . 1 92 92 LEU CD1 C 13 27.009 0.035 . 2 . . . . . 85 LEU CD1 . 51211 1 614 . 1 . 1 92 92 LEU CD2 C 13 27.009 0.035 . 2 . . . . . 85 LEU CD2 . 51211 1 615 . 1 . 1 92 92 LEU N N 15 125.955 0.105 . 1 . . . . . 85 LEU N . 51211 1 616 . 1 . 1 93 93 GLY H H 1 10.343 0.005 . 1 . . . . . 86 GLY H . 51211 1 617 . 1 . 1 93 93 GLY C C 13 170.534 0.000 . 1 . . . . . 86 GLY C . 51211 1 618 . 1 . 1 93 93 GLY CA C 13 43.157 0.186 . 1 . . . . . 86 GLY CA . 51211 1 619 . 1 . 1 93 93 GLY N N 15 113.744 0.081 . 1 . . . . . 86 GLY N . 51211 1 620 . 1 . 1 94 94 CYS H H 1 8.833 0.005 . 1 . . . . . 87 CYS H . 51211 1 621 . 1 . 1 94 94 CYS C C 13 171.970 0.000 . 1 . . . . . 87 CYS C . 51211 1 622 . 1 . 1 94 94 CYS CA C 13 57.558 0.025 . 1 . . . . . 87 CYS CA . 51211 1 623 . 1 . 1 94 94 CYS CB C 13 28.246 0.020 . 1 . . . . . 87 CYS CB . 51211 1 624 . 1 . 1 94 94 CYS N N 15 121.881 0.120 . 1 . . . . . 87 CYS N . 51211 1 625 . 1 . 1 95 95 VAL H H 1 9.445 0.007 . 1 . . . . . 88 VAL H . 51211 1 626 . 1 . 1 95 95 VAL HG11 H 1 0.932 0.003 . 2 . . . . . 88 VAL MG1 . 51211 1 627 . 1 . 1 95 95 VAL HG12 H 1 0.932 0.003 . 2 . . . . . 88 VAL MG1 . 51211 1 628 . 1 . 1 95 95 VAL HG13 H 1 0.932 0.003 . 2 . . . . . 88 VAL MG1 . 51211 1 629 . 1 . 1 95 95 VAL HG21 H 1 0.673 0.007 . 2 . . . . . 88 VAL MG2 . 51211 1 630 . 1 . 1 95 95 VAL HG22 H 1 0.673 0.007 . 2 . . . . . 88 VAL MG2 . 51211 1 631 . 1 . 1 95 95 VAL HG23 H 1 0.673 0.007 . 2 . . . . . 88 VAL MG2 . 51211 1 632 . 1 . 1 95 95 VAL C C 13 174.543 0.000 . 1 . . . . . 88 VAL C . 51211 1 633 . 1 . 1 95 95 VAL CA C 13 62.367 0.024 . 1 . . . . . 88 VAL CA . 51211 1 634 . 1 . 1 95 95 VAL CB C 13 30.571 0.021 . 1 . . . . . 88 VAL CB . 51211 1 635 . 1 . 1 95 95 VAL CG1 C 13 21.785 0.019 . 2 . . . . . 88 VAL CG1 . 51211 1 636 . 1 . 1 95 95 VAL CG2 C 13 20.267 0.126 . 2 . . . . . 88 VAL CG2 . 51211 1 637 . 1 . 1 95 95 VAL N N 15 129.562 0.076 . 1 . . . . . 88 VAL N . 51211 1 638 . 1 . 1 96 96 THR H H 1 8.501 0.011 . 1 . . . . . 89 THR H . 51211 1 639 . 1 . 1 96 96 THR HG21 H 1 1.083 0.004 . 1 . . . . . 89 THR MG . 51211 1 640 . 1 . 1 96 96 THR HG22 H 1 1.083 0.004 . 1 . . . . . 89 THR MG . 51211 1 641 . 1 . 1 96 96 THR HG23 H 1 1.083 0.004 . 1 . . . . . 89 THR MG . 51211 1 642 . 1 . 1 96 96 THR C C 13 175.836 0.000 . 1 . . . . . 89 THR C . 51211 1 643 . 1 . 1 96 96 THR CA C 13 60.534 0.009 . 1 . . . . . 89 THR CA . 51211 1 644 . 1 . 1 96 96 THR CB C 13 70.400 0.021 . 1 . . . . . 89 THR CB . 51211 1 645 . 1 . 1 96 96 THR CG2 C 13 19.328 0.000 . 1 . . . . . 89 THR CG2 . 51211 1 646 . 1 . 1 96 96 THR N N 15 114.313 0.036 . 1 . . . . . 89 THR N . 51211 1 647 . 1 . 1 97 97 SER H H 1 7.454 0.005 . 1 . . . . . 90 SER H . 51211 1 648 . 1 . 1 97 97 SER CA C 13 55.761 0.000 . 1 . . . . . 90 SER CA . 51211 1 649 . 1 . 1 97 97 SER CB C 13 57.184 0.000 . 1 . . . . . 90 SER CB . 51211 1 650 . 1 . 1 97 97 SER N N 15 117.421 0.043 . 1 . . . . . 90 SER N . 51211 1 651 . 1 . 1 98 98 PRO C C 13 177.536 0.000 . 1 . . . . . 91 PRO C . 51211 1 652 . 1 . 1 98 98 PRO CA C 13 61.665 0.055 . 1 . . . . . 91 PRO CA . 51211 1 653 . 1 . 1 98 98 PRO CB C 13 31.218 0.103 . 1 . . . . . 91 PRO CB . 51211 1 654 . 1 . 1 99 99 ARG H H 1 8.514 0.008 . 1 . . . . . 92 ARG H . 51211 1 655 . 1 . 1 99 99 ARG C C 13 176.736 0.000 . 1 . . . . . 92 ARG C . 51211 1 656 . 1 . 1 99 99 ARG CA C 13 59.238 0.037 . 1 . . . . . 92 ARG CA . 51211 1 657 . 1 . 1 99 99 ARG CB C 13 29.409 0.090 . 1 . . . . . 92 ARG CB . 51211 1 658 . 1 . 1 99 99 ARG N N 15 124.610 0.056 . 1 . . . . . 92 ARG N . 51211 1 659 . 1 . 1 100 100 PHE H H 1 8.297 0.025 . 1 . . . . . 93 PHE H . 51211 1 660 . 1 . 1 100 100 PHE C C 13 176.524 0.000 . 1 . . . . . 93 PHE C . 51211 1 661 . 1 . 1 100 100 PHE CA C 13 59.966 0.082 . 1 . . . . . 93 PHE CA . 51211 1 662 . 1 . 1 100 100 PHE CB C 13 38.178 0.090 . 1 . . . . . 93 PHE CB . 51211 1 663 . 1 . 1 100 100 PHE N N 15 120.535 0.053 . 1 . . . . . 93 PHE N . 51211 1 664 . 1 . 1 101 101 LEU H H 1 8.546 0.006 . 1 . . . . . 94 LEU H . 51211 1 665 . 1 . 1 101 101 LEU HD11 H 1 0.622 0.008 . 2 . . . . . 94 LEU MD1 . 51211 1 666 . 1 . 1 101 101 LEU HD12 H 1 0.622 0.008 . 2 . . . . . 94 LEU MD1 . 51211 1 667 . 1 . 1 101 101 LEU HD13 H 1 0.622 0.008 . 2 . . . . . 94 LEU MD1 . 51211 1 668 . 1 . 1 101 101 LEU HD21 H 1 0.613 0.005 . 2 . . . . . 94 LEU MD2 . 51211 1 669 . 1 . 1 101 101 LEU HD22 H 1 0.613 0.005 . 2 . . . . . 94 LEU MD2 . 51211 1 670 . 1 . 1 101 101 LEU HD23 H 1 0.613 0.005 . 2 . . . . . 94 LEU MD2 . 51211 1 671 . 1 . 1 101 101 LEU C C 13 179.446 0.000 . 1 . . . . . 94 LEU C . 51211 1 672 . 1 . 1 101 101 LEU CA C 13 57.505 0.014 . 1 . . . . . 94 LEU CA . 51211 1 673 . 1 . 1 101 101 LEU CB C 13 39.805 0.032 . 1 . . . . . 94 LEU CB . 51211 1 674 . 1 . 1 101 101 LEU CD1 C 13 25.163 0.006 . 2 . . . . . 94 LEU CD1 . 51211 1 675 . 1 . 1 101 101 LEU CD2 C 13 22.246 0.041 . 2 . . . . . 94 LEU CD2 . 51211 1 676 . 1 . 1 101 101 LEU N N 15 117.412 0.064 . 1 . . . . . 94 LEU N . 51211 1 677 . 1 . 1 102 102 GLU H H 1 7.933 0.005 . 1 . . . . . 95 GLU H . 51211 1 678 . 1 . 1 102 102 GLU C C 13 178.273 0.000 . 1 . . . . . 95 GLU C . 51211 1 679 . 1 . 1 102 102 GLU CA C 13 58.032 0.040 . 1 . . . . . 95 GLU CA . 51211 1 680 . 1 . 1 102 102 GLU CB C 13 31.749 0.014 . 1 . . . . . 95 GLU CB . 51211 1 681 . 1 . 1 102 102 GLU N N 15 121.425 0.025 . 1 . . . . . 95 GLU N . 51211 1 682 . 1 . 1 103 103 ILE H H 1 7.581 0.011 . 1 . . . . . 96 ILE H . 51211 1 683 . 1 . 1 103 103 ILE HG21 H 1 0.747 0.000 . 9 . . . . . 96 ILE MG . 51211 1 684 . 1 . 1 103 103 ILE HG22 H 1 0.747 0.000 . 9 . . . . . 96 ILE MG . 51211 1 685 . 1 . 1 103 103 ILE HG23 H 1 0.747 0.000 . 9 . . . . . 96 ILE MG . 51211 1 686 . 1 . 1 103 103 ILE HD11 H 1 0.851 0.021 . 1 . . . . . 96 ILE MD . 51211 1 687 . 1 . 1 103 103 ILE HD12 H 1 0.851 0.021 . 1 . . . . . 96 ILE MD . 51211 1 688 . 1 . 1 103 103 ILE HD13 H 1 0.851 0.021 . 1 . . . . . 96 ILE MD . 51211 1 689 . 1 . 1 103 103 ILE CA C 13 65.492 0.000 . 1 . . . . . 96 ILE CA . 51211 1 690 . 1 . 1 103 103 ILE CB C 13 36.965 0.000 . 1 . . . . . 96 ILE CB . 51211 1 691 . 1 . 1 103 103 ILE CG2 C 13 16.807 0.000 . 9 . . . . . 96 ILE CG2 . 51211 1 692 . 1 . 1 103 103 ILE CD1 C 13 14.875 0.014 . 1 . . . . . 96 ILE CD1 . 51211 1 693 . 1 . 1 103 103 ILE N N 15 122.589 0.032 . 1 . . . . . 96 ILE N . 51211 1 694 . 1 . 1 104 104 VAL HG11 H 1 0.160 0.001 . 2 . . . . . 97 VAL MG1 . 51211 1 695 . 1 . 1 104 104 VAL HG12 H 1 0.160 0.001 . 2 . . . . . 97 VAL MG1 . 51211 1 696 . 1 . 1 104 104 VAL HG13 H 1 0.160 0.001 . 2 . . . . . 97 VAL MG1 . 51211 1 697 . 1 . 1 104 104 VAL HG21 H 1 0.160 0.001 . 2 . . . . . 97 VAL MG2 . 51211 1 698 . 1 . 1 104 104 VAL HG22 H 1 0.160 0.001 . 2 . . . . . 97 VAL MG2 . 51211 1 699 . 1 . 1 104 104 VAL HG23 H 1 0.160 0.001 . 2 . . . . . 97 VAL MG2 . 51211 1 700 . 1 . 1 104 104 VAL CG1 C 13 22.501 0.039 . 2 . . . . . 97 VAL CG1 . 51211 1 701 . 1 . 1 104 104 VAL CG2 C 13 22.501 0.039 . 2 . . . . . 97 VAL CG2 . 51211 1 702 . 1 . 1 106 106 ARG C C 13 179.169 0.000 . 1 . . . . . 99 ARG C . 51211 1 703 . 1 . 1 106 106 ARG CA C 13 57.488 0.000 . 1 . . . . . 99 ARG CA . 51211 1 704 . 1 . 1 106 106 ARG CB C 13 28.860 0.002 . 1 . . . . . 99 ARG CB . 51211 1 705 . 1 . 1 107 107 ALA H H 1 7.911 0.010 . 1 . . . . . 100 ALA H . 51211 1 706 . 1 . 1 107 107 ALA HB1 H 1 1.380 0.000 . 1 . . . . . 100 ALA MB . 51211 1 707 . 1 . 1 107 107 ALA HB2 H 1 1.380 0.000 . 1 . . . . . 100 ALA MB . 51211 1 708 . 1 . 1 107 107 ALA HB3 H 1 1.380 0.000 . 1 . . . . . 100 ALA MB . 51211 1 709 . 1 . 1 107 107 ALA C C 13 180.465 0.000 . 1 . . . . . 100 ALA C . 51211 1 710 . 1 . 1 107 107 ALA CA C 13 54.061 0.019 . 1 . . . . . 100 ALA CA . 51211 1 711 . 1 . 1 107 107 ALA CB C 13 17.445 0.040 . 1 . . . . . 100 ALA CB . 51211 1 712 . 1 . 1 107 107 ALA N N 15 121.829 0.056 . 1 . . . . . 100 ALA N . 51211 1 713 . 1 . 1 108 108 SER H H 1 8.097 0.010 . 1 . . . . . 101 SER H . 51211 1 714 . 1 . 1 108 108 SER C C 13 175.500 0.000 . 1 . . . . . 101 SER C . 51211 1 715 . 1 . 1 108 108 SER CA C 13 60.248 0.086 . 1 . . . . . 101 SER CA . 51211 1 716 . 1 . 1 108 108 SER CB C 13 62.672 0.090 . 1 . . . . . 101 SER CB . 51211 1 717 . 1 . 1 108 108 SER N N 15 113.808 0.045 . 1 . . . . . 101 SER N . 51211 1 718 . 1 . 1 109 109 GLU H H 1 7.236 0.010 . 1 . . . . . 102 GLU H . 51211 1 719 . 1 . 1 109 109 GLU C C 13 177.265 0.000 . 1 . . . . . 102 GLU C . 51211 1 720 . 1 . 1 109 109 GLU CA C 13 57.324 0.035 . 1 . . . . . 102 GLU CA . 51211 1 721 . 1 . 1 109 109 GLU CB C 13 28.871 0.033 . 1 . . . . . 102 GLU CB . 51211 1 722 . 1 . 1 109 109 GLU N N 15 120.994 0.038 . 1 . . . . . 102 GLU N . 51211 1 723 . 1 . 1 110 110 LYS H H 1 7.454 0.005 . 1 . . . . . 103 LYS H . 51211 1 724 . 1 . 1 110 110 LYS C C 13 176.712 0.000 . 1 . . . . . 103 LYS C . 51211 1 725 . 1 . 1 110 110 LYS CA C 13 55.812 0.013 . 1 . . . . . 103 LYS CA . 51211 1 726 . 1 . 1 110 110 LYS CB C 13 31.740 0.002 . 1 . . . . . 103 LYS CB . 51211 1 727 . 1 . 1 110 110 LYS N N 15 117.842 0.062 . 1 . . . . . 103 LYS N . 51211 1 728 . 1 . 1 111 111 SER H H 1 7.610 0.007 . 1 . . . . . 104 SER H . 51211 1 729 . 1 . 1 111 111 SER C C 13 174.870 0.000 . 1 . . . . . 104 SER C . 51211 1 730 . 1 . 1 111 111 SER CA C 13 58.173 0.049 . 1 . . . . . 104 SER CA . 51211 1 731 . 1 . 1 111 111 SER CB C 13 63.425 0.025 . 1 . . . . . 104 SER CB . 51211 1 732 . 1 . 1 111 111 SER N N 15 114.746 0.048 . 1 . . . . . 104 SER N . 51211 1 733 . 1 . 1 112 112 GLU H H 1 8.618 0.023 . 1 . . . . . 105 GLU H . 51211 1 734 . 1 . 1 112 112 GLU C C 13 176.037 0.000 . 1 . . . . . 105 GLU C . 51211 1 735 . 1 . 1 112 112 GLU CA C 13 56.400 0.055 . 1 . . . . . 105 GLU CA . 51211 1 736 . 1 . 1 112 112 GLU CB C 13 28.867 0.031 . 1 . . . . . 105 GLU CB . 51211 1 737 . 1 . 1 112 112 GLU N N 15 124.053 0.059 . 1 . . . . . 105 GLU N . 51211 1 738 . 1 . 1 113 113 LEU H H 1 8.183 0.005 . 1 . . . . . 106 LEU H . 51211 1 739 . 1 . 1 113 113 LEU HD11 H 1 0.901 0.009 . 2 . . . . . 106 LEU MD1 . 51211 1 740 . 1 . 1 113 113 LEU HD12 H 1 0.901 0.009 . 2 . . . . . 106 LEU MD1 . 51211 1 741 . 1 . 1 113 113 LEU HD13 H 1 0.901 0.009 . 2 . . . . . 106 LEU MD1 . 51211 1 742 . 1 . 1 113 113 LEU HD21 H 1 0.901 0.009 . 2 . . . . . 106 LEU MD2 . 51211 1 743 . 1 . 1 113 113 LEU HD22 H 1 0.901 0.009 . 2 . . . . . 106 LEU MD2 . 51211 1 744 . 1 . 1 113 113 LEU HD23 H 1 0.901 0.009 . 2 . . . . . 106 LEU MD2 . 51211 1 745 . 1 . 1 113 113 LEU C C 13 177.403 0.000 . 1 . . . . . 106 LEU C . 51211 1 746 . 1 . 1 113 113 LEU CA C 13 55.146 0.053 . 1 . . . . . 106 LEU CA . 51211 1 747 . 1 . 1 113 113 LEU CB C 13 41.145 0.060 . 1 . . . . . 106 LEU CB . 51211 1 748 . 1 . 1 113 113 LEU N N 15 122.266 0.058 . 1 . . . . . 106 LEU N . 51211 1 749 . 1 . 1 114 114 VAL H H 1 7.782 0.011 . 1 . . . . . 107 VAL H . 51211 1 750 . 1 . 1 114 114 VAL HG11 H 1 0.950 0.015 . 2 . . . . . 107 VAL MG1 . 51211 1 751 . 1 . 1 114 114 VAL HG12 H 1 0.950 0.015 . 2 . . . . . 107 VAL MG1 . 51211 1 752 . 1 . 1 114 114 VAL HG13 H 1 0.950 0.015 . 2 . . . . . 107 VAL MG1 . 51211 1 753 . 1 . 1 114 114 VAL HG21 H 1 0.818 0.007 . 2 . . . . . 107 VAL MG2 . 51211 1 754 . 1 . 1 114 114 VAL HG22 H 1 0.818 0.007 . 2 . . . . . 107 VAL MG2 . 51211 1 755 . 1 . 1 114 114 VAL HG23 H 1 0.818 0.007 . 2 . . . . . 107 VAL MG2 . 51211 1 756 . 1 . 1 114 114 VAL C C 13 176.031 0.000 . 1 . . . . . 107 VAL C . 51211 1 757 . 1 . 1 114 114 VAL CA C 13 61.581 0.044 . 1 . . . . . 107 VAL CA . 51211 1 758 . 1 . 1 114 114 VAL CB C 13 31.831 0.072 . 1 . . . . . 107 VAL CB . 51211 1 759 . 1 . 1 114 114 VAL N N 15 118.922 0.114 . 1 . . . . . 107 VAL N . 51211 1 760 . 1 . 1 115 115 SER H H 1 8.423 0.012 . 1 . . . . . 108 SER H . 51211 1 761 . 1 . 1 115 115 SER C C 13 174.480 0.000 . 1 . . . . . 108 SER C . 51211 1 762 . 1 . 1 115 115 SER CA C 13 57.994 0.090 . 1 . . . . . 108 SER CA . 51211 1 763 . 1 . 1 115 115 SER CB C 13 62.910 0.042 . 1 . . . . . 108 SER CB . 51211 1 764 . 1 . 1 115 115 SER N N 15 119.357 0.026 . 1 . . . . . 108 SER N . 51211 1 765 . 1 . 1 116 116 ARG H H 1 8.410 0.008 . 1 . . . . . 109 ARG H . 51211 1 766 . 1 . 1 116 116 ARG C C 13 176.387 0.000 . 1 . . . . . 109 ARG C . 51211 1 767 . 1 . 1 116 116 ARG CA C 13 55.396 0.083 . 1 . . . . . 109 ARG CA . 51211 1 768 . 1 . 1 116 116 ARG CB C 13 29.935 0.029 . 1 . . . . . 109 ARG CB . 51211 1 769 . 1 . 1 116 116 ARG CG C 13 26.418 0.000 . 1 . . . . . 109 ARG CG . 51211 1 770 . 1 . 1 116 116 ARG CD C 13 42.846 0.000 . 1 . . . . . 109 ARG CD . 51211 1 771 . 1 . 1 116 116 ARG N N 15 123.220 0.025 . 1 . . . . . 109 ARG N . 51211 1 772 . 1 . 1 117 117 GLY H H 1 8.181 0.006 . 1 . . . . . 110 GLY H . 51211 1 773 . 1 . 1 117 117 GLY CA C 13 44.040 0.000 . 1 . . . . . 110 GLY CA . 51211 1 774 . 1 . 1 117 117 GLY N N 15 109.804 0.030 . 1 . . . . . 110 GLY N . 51211 1 775 . 1 . 1 118 118 PRO C C 13 177.070 0.000 . 1 . . . . . 111 PRO C . 51211 1 776 . 1 . 1 118 118 PRO CA C 13 62.775 0.051 . 1 . . . . . 111 PRO CA . 51211 1 777 . 1 . 1 118 118 PRO CB C 13 31.149 0.000 . 1 . . . . . 111 PRO CB . 51211 1 778 . 1 . 1 119 119 VAL H H 1 8.222 0.004 . 1 . . . . . 112 VAL H . 51211 1 779 . 1 . 1 119 119 VAL HG11 H 1 0.895 0.007 . 2 . . . . . 112 VAL MG1 . 51211 1 780 . 1 . 1 119 119 VAL HG12 H 1 0.895 0.007 . 2 . . . . . 112 VAL MG1 . 51211 1 781 . 1 . 1 119 119 VAL HG13 H 1 0.895 0.007 . 2 . . . . . 112 VAL MG1 . 51211 1 782 . 1 . 1 119 119 VAL HG21 H 1 0.895 0.007 . 2 . . . . . 112 VAL MG2 . 51211 1 783 . 1 . 1 119 119 VAL HG22 H 1 0.895 0.007 . 2 . . . . . 112 VAL MG2 . 51211 1 784 . 1 . 1 119 119 VAL HG23 H 1 0.895 0.007 . 2 . . . . . 112 VAL MG2 . 51211 1 785 . 1 . 1 119 119 VAL C C 13 176.034 0.000 . 1 . . . . . 112 VAL C . 51211 1 786 . 1 . 1 119 119 VAL CA C 13 61.703 0.026 . 1 . . . . . 112 VAL CA . 51211 1 787 . 1 . 1 119 119 VAL CB C 13 31.713 0.043 . 1 . . . . . 112 VAL CB . 51211 1 788 . 1 . 1 119 119 VAL N N 15 120.174 0.080 . 1 . . . . . 112 VAL N . 51211 1 789 . 1 . 1 120 120 SER H H 1 8.330 0.003 . 1 . . . . . 113 SER H . 51211 1 790 . 1 . 1 120 120 SER CA C 13 58.380 0.000 . 1 . . . . . 113 SER CA . 51211 1 791 . 1 . 1 120 120 SER CB C 13 63.370 0.000 . 1 . . . . . 113 SER CB . 51211 1 792 . 1 . 1 120 120 SER N N 15 121.161 0.025 . 1 . . . . . 113 SER N . 51211 1 793 . 1 . 1 121 121 PRO C C 13 176.725 0.000 . 1 . . . . . 114 PRO C . 51211 1 794 . 1 . 1 121 121 PRO CA C 13 63.447 0.026 . 1 . . . . . 114 PRO CA . 51211 1 795 . 1 . 1 121 121 PRO CB C 13 31.149 0.013 . 1 . . . . . 114 PRO CB . 51211 1 796 . 1 . 1 122 122 LEU H H 1 7.948 0.007 . 1 . . . . . 115 LEU H . 51211 1 797 . 1 . 1 122 122 LEU HD11 H 1 0.858 0.012 . 2 . . . . . 115 LEU MD1 . 51211 1 798 . 1 . 1 122 122 LEU HD12 H 1 0.858 0.012 . 2 . . . . . 115 LEU MD1 . 51211 1 799 . 1 . 1 122 122 LEU HD13 H 1 0.858 0.012 . 2 . . . . . 115 LEU MD1 . 51211 1 800 . 1 . 1 122 122 LEU HD21 H 1 0.858 0.012 . 2 . . . . . 115 LEU MD2 . 51211 1 801 . 1 . 1 122 122 LEU HD22 H 1 0.858 0.012 . 2 . . . . . 115 LEU MD2 . 51211 1 802 . 1 . 1 122 122 LEU HD23 H 1 0.858 0.012 . 2 . . . . . 115 LEU MD2 . 51211 1 803 . 1 . 1 122 122 LEU C C 13 177.708 0.000 . 1 . . . . . 115 LEU C . 51211 1 804 . 1 . 1 122 122 LEU CA C 13 54.605 0.023 . 1 . . . . . 115 LEU CA . 51211 1 805 . 1 . 1 122 122 LEU CB C 13 40.927 0.082 . 1 . . . . . 115 LEU CB . 51211 1 806 . 1 . 1 122 122 LEU N N 15 119.272 0.054 . 1 . . . . . 115 LEU N . 51211 1 807 . 1 . 1 123 123 GLN H H 1 8.003 0.004 . 1 . . . . . 116 GLN H . 51211 1 808 . 1 . 1 123 123 GLN CA C 13 53.015 0.000 . 1 . . . . . 116 GLN CA . 51211 1 809 . 1 . 1 123 123 GLN CB C 13 28.253 0.000 . 1 . . . . . 116 GLN CB . 51211 1 810 . 1 . 1 123 123 GLN N N 15 120.979 0.066 . 1 . . . . . 116 GLN N . 51211 1 811 . 1 . 1 124 124 PRO C C 13 177.218 0.000 . 1 . . . . . 117 PRO C . 51211 1 812 . 1 . 1 124 124 PRO CA C 13 62.794 0.028 . 1 . . . . . 117 PRO CA . 51211 1 813 . 1 . 1 124 124 PRO CB C 13 28.255 0.024 . 1 . . . . . 117 PRO CB . 51211 1 814 . 1 . 1 125 125 ASP H H 1 8.320 0.012 . 1 . . . . . 118 ASP H . 51211 1 815 . 1 . 1 125 125 ASP C C 13 175.946 0.000 . 1 . . . . . 118 ASP C . 51211 1 816 . 1 . 1 125 125 ASP CA C 13 52.658 0.075 . 1 . . . . . 118 ASP CA . 51211 1 817 . 1 . 1 125 125 ASP CB C 13 40.079 0.056 . 1 . . . . . 118 ASP CB . 51211 1 818 . 1 . 1 125 125 ASP N N 15 120.287 0.028 . 1 . . . . . 118 ASP N . 51211 1 819 . 1 . 1 126 126 LYS H H 1 8.534 0.007 . 1 . . . . . 119 LYS H . 51211 1 820 . 1 . 1 126 126 LYS C C 13 178.775 0.000 . 1 . . . . . 119 LYS C . 51211 1 821 . 1 . 1 126 126 LYS CA C 13 58.706 0.036 . 1 . . . . . 119 LYS CA . 51211 1 822 . 1 . 1 126 126 LYS CB C 13 31.071 0.015 . 1 . . . . . 119 LYS CB . 51211 1 823 . 1 . 1 126 126 LYS N N 15 122.978 0.052 . 1 . . . . . 119 LYS N . 51211 1 824 . 1 . 1 127 127 VAL H H 1 7.990 0.006 . 1 . . . . . 120 VAL H . 51211 1 825 . 1 . 1 127 127 VAL HG11 H 1 0.869 0.002 . 2 . . . . . 120 VAL MG1 . 51211 1 826 . 1 . 1 127 127 VAL HG12 H 1 0.869 0.002 . 2 . . . . . 120 VAL MG1 . 51211 1 827 . 1 . 1 127 127 VAL HG13 H 1 0.869 0.002 . 2 . . . . . 120 VAL MG1 . 51211 1 828 . 1 . 1 127 127 VAL HG21 H 1 0.869 0.002 . 2 . . . . . 120 VAL MG2 . 51211 1 829 . 1 . 1 127 127 VAL HG22 H 1 0.869 0.002 . 2 . . . . . 120 VAL MG2 . 51211 1 830 . 1 . 1 127 127 VAL HG23 H 1 0.869 0.002 . 2 . . . . . 120 VAL MG2 . 51211 1 831 . 1 . 1 127 127 VAL C C 13 177.248 0.000 . 1 . . . . . 120 VAL C . 51211 1 832 . 1 . 1 127 127 VAL CA C 13 66.204 0.027 . 1 . . . . . 120 VAL CA . 51211 1 833 . 1 . 1 127 127 VAL CB C 13 30.581 0.038 . 1 . . . . . 120 VAL CB . 51211 1 834 . 1 . 1 127 127 VAL N N 15 120.291 0.073 . 1 . . . . . 120 VAL N . 51211 1 835 . 1 . 1 128 128 VAL H H 1 7.349 0.007 . 1 . . . . . 121 VAL H . 51211 1 836 . 1 . 1 128 128 VAL HG11 H 1 0.871 0.000 . 2 . . . . . 121 VAL MG1 . 51211 1 837 . 1 . 1 128 128 VAL HG12 H 1 0.871 0.000 . 2 . . . . . 121 VAL MG1 . 51211 1 838 . 1 . 1 128 128 VAL HG13 H 1 0.871 0.000 . 2 . . . . . 121 VAL MG1 . 51211 1 839 . 1 . 1 128 128 VAL HG21 H 1 0.871 0.000 . 2 . . . . . 121 VAL MG2 . 51211 1 840 . 1 . 1 128 128 VAL HG22 H 1 0.871 0.000 . 2 . . . . . 121 VAL MG2 . 51211 1 841 . 1 . 1 128 128 VAL HG23 H 1 0.871 0.000 . 2 . . . . . 121 VAL MG2 . 51211 1 842 . 1 . 1 128 128 VAL C C 13 178.621 0.000 . 1 . . . . . 121 VAL C . 51211 1 843 . 1 . 1 128 128 VAL CA C 13 66.890 0.043 . 1 . . . . . 121 VAL CA . 51211 1 844 . 1 . 1 128 128 VAL CB C 13 31.737 0.066 . 1 . . . . . 121 VAL CB . 51211 1 845 . 1 . 1 128 128 VAL N N 15 119.765 0.028 . 1 . . . . . 121 VAL N . 51211 1 846 . 1 . 1 129 129 GLU H H 1 8.384 0.011 . 1 . . . . . 122 GLU H . 51211 1 847 . 1 . 1 129 129 GLU C C 13 179.132 0.000 . 1 . . . . . 122 GLU C . 51211 1 848 . 1 . 1 129 129 GLU CA C 13 53.982 0.039 . 1 . . . . . 122 GLU CA . 51211 1 849 . 1 . 1 129 129 GLU CB C 13 30.001 0.083 . 1 . . . . . 122 GLU CB . 51211 1 850 . 1 . 1 129 129 GLU N N 15 120.611 0.053 . 1 . . . . . 122 GLU N . 51211 1 851 . 1 . 1 130 130 PHE H H 1 8.365 0.005 . 1 . . . . . 123 PHE H . 51211 1 852 . 1 . 1 130 130 PHE C C 13 179.128 0.000 . 1 . . . . . 123 PHE C . 51211 1 853 . 1 . 1 130 130 PHE CA C 13 59.372 0.066 . 1 . . . . . 123 PHE CA . 51211 1 854 . 1 . 1 130 130 PHE CB C 13 40.005 0.026 . 1 . . . . . 123 PHE CB . 51211 1 855 . 1 . 1 130 130 PHE N N 15 121.230 0.032 . 1 . . . . . 123 PHE N . 51211 1 856 . 1 . 1 131 131 LEU H H 1 7.940 0.008 . 1 . . . . . 124 LEU H . 51211 1 857 . 1 . 1 131 131 LEU HD11 H 1 0.964 0.015 . 2 . . . . . 124 LEU MD1 . 51211 1 858 . 1 . 1 131 131 LEU HD12 H 1 0.964 0.015 . 2 . . . . . 124 LEU MD1 . 51211 1 859 . 1 . 1 131 131 LEU HD13 H 1 0.964 0.015 . 2 . . . . . 124 LEU MD1 . 51211 1 860 . 1 . 1 131 131 LEU HD21 H 1 0.686 0.002 . 2 . . . . . 124 LEU MD2 . 51211 1 861 . 1 . 1 131 131 LEU HD22 H 1 0.686 0.002 . 2 . . . . . 124 LEU MD2 . 51211 1 862 . 1 . 1 131 131 LEU HD23 H 1 0.686 0.002 . 2 . . . . . 124 LEU MD2 . 51211 1 863 . 1 . 1 131 131 LEU C C 13 177.427 0.000 . 1 . . . . . 124 LEU C . 51211 1 864 . 1 . 1 131 131 LEU CA C 13 54.740 0.000 . 1 . . . . . 124 LEU CA . 51211 1 865 . 1 . 1 131 131 LEU CB C 13 40.897 0.000 . 1 . . . . . 124 LEU CB . 51211 1 866 . 1 . 1 131 131 LEU CD1 C 13 23.273 0.020 . 2 . . . . . 124 LEU CD1 . 51211 1 867 . 1 . 1 131 131 LEU CD2 C 13 23.943 0.027 . 2 . . . . . 124 LEU CD2 . 51211 1 868 . 1 . 1 131 131 LEU N N 15 118.515 0.075 . 1 . . . . . 124 LEU N . 51211 1 869 . 1 . 1 132 132 SER H H 1 7.752 0.011 . 1 . . . . . 125 SER H . 51211 1 870 . 1 . 1 132 132 SER C C 13 175.517 0.000 . 1 . . . . . 125 SER C . 51211 1 871 . 1 . 1 132 132 SER CA C 13 61.007 0.021 . 1 . . . . . 125 SER CA . 51211 1 872 . 1 . 1 132 132 SER CB C 13 62.689 0.046 . 1 . . . . . 125 SER CB . 51211 1 873 . 1 . 1 132 132 SER N N 15 111.784 0.034 . 1 . . . . . 125 SER N . 51211 1 874 . 1 . 1 133 133 GLY H H 1 7.316 0.003 . 1 . . . . . 126 GLY H . 51211 1 875 . 1 . 1 133 133 GLY C C 13 174.822 0.000 . 1 . . . . . 126 GLY C . 51211 1 876 . 1 . 1 133 133 GLY CA C 13 44.866 0.086 . 1 . . . . . 126 GLY CA . 51211 1 877 . 1 . 1 133 133 GLY N N 15 103.685 0.035 . 1 . . . . . 126 GLY N . 51211 1 878 . 1 . 1 134 134 SER H H 1 7.403 0.005 . 1 . . . . . 127 SER H . 51211 1 879 . 1 . 1 134 134 SER C C 13 173.465 0.000 . 1 . . . . . 127 SER C . 51211 1 880 . 1 . 1 134 134 SER CA C 13 60.370 0.064 . 1 . . . . . 127 SER CA . 51211 1 881 . 1 . 1 134 134 SER CB C 13 63.508 0.039 . 1 . . . . . 127 SER CB . 51211 1 882 . 1 . 1 134 134 SER N N 15 115.585 0.043 . 1 . . . . . 127 SER N . 51211 1 883 . 1 . 1 135 135 TYR H H 1 8.086 0.005 . 1 . . . . . 128 TYR H . 51211 1 884 . 1 . 1 135 135 TYR C C 13 175.139 0.000 . 1 . . . . . 128 TYR C . 51211 1 885 . 1 . 1 135 135 TYR CA C 13 55.794 0.059 . 1 . . . . . 128 TYR CA . 51211 1 886 . 1 . 1 135 135 TYR CB C 13 37.627 0.039 . 1 . . . . . 128 TYR CB . 51211 1 887 . 1 . 1 135 135 TYR N N 15 121.461 0.072 . 1 . . . . . 128 TYR N . 51211 1 888 . 1 . 1 136 136 ALA H H 1 7.897 0.007 . 1 . . . . . 129 ALA H . 51211 1 889 . 1 . 1 136 136 ALA HB1 H 1 1.558 0.015 . 1 . . . . . 129 ALA MB . 51211 1 890 . 1 . 1 136 136 ALA HB2 H 1 1.558 0.015 . 1 . . . . . 129 ALA MB . 51211 1 891 . 1 . 1 136 136 ALA HB3 H 1 1.558 0.015 . 1 . . . . . 129 ALA MB . 51211 1 892 . 1 . 1 136 136 ALA C C 13 176.983 0.000 . 1 . . . . . 129 ALA C . 51211 1 893 . 1 . 1 136 136 ALA CA C 13 53.023 0.202 . 1 . . . . . 129 ALA CA . 51211 1 894 . 1 . 1 136 136 ALA CB C 13 18.855 0.024 . 1 . . . . . 129 ALA CB . 51211 1 895 . 1 . 1 136 136 ALA N N 15 122.930 0.026 . 1 . . . . . 129 ALA N . 51211 1 896 . 1 . 1 137 137 GLY H H 1 8.070 0.008 . 1 . . . . . 130 GLY H . 51211 1 897 . 1 . 1 137 137 GLY C C 13 176.707 0.000 . 1 . . . . . 130 GLY C . 51211 1 898 . 1 . 1 137 137 GLY CA C 13 44.249 0.130 . 1 . . . . . 130 GLY CA . 51211 1 899 . 1 . 1 137 137 GLY N N 15 104.876 0.100 . 1 . . . . . 130 GLY N . 51211 1 900 . 1 . 1 138 138 LEU H H 1 8.067 0.040 . 1 . . . . . 131 LEU H . 51211 1 901 . 1 . 1 138 138 LEU HD11 H 1 0.260 0.001 . 2 . . . . . 131 LEU MD1 . 51211 1 902 . 1 . 1 138 138 LEU HD12 H 1 0.260 0.001 . 2 . . . . . 131 LEU MD1 . 51211 1 903 . 1 . 1 138 138 LEU HD13 H 1 0.260 0.001 . 2 . . . . . 131 LEU MD1 . 51211 1 904 . 1 . 1 138 138 LEU HD21 H 1 0.260 0.001 . 2 . . . . . 131 LEU MD2 . 51211 1 905 . 1 . 1 138 138 LEU HD22 H 1 0.260 0.001 . 2 . . . . . 131 LEU MD2 . 51211 1 906 . 1 . 1 138 138 LEU HD23 H 1 0.260 0.001 . 2 . . . . . 131 LEU MD2 . 51211 1 907 . 1 . 1 138 138 LEU C C 13 177.400 0.000 . 1 . . . . . 131 LEU C . 51211 1 908 . 1 . 1 138 138 LEU CA C 13 52.918 0.094 . 1 . . . . . 131 LEU CA . 51211 1 909 . 1 . 1 138 138 LEU CB C 13 44.887 0.222 . 1 . . . . . 131 LEU CB . 51211 1 910 . 1 . 1 138 138 LEU CD1 C 13 25.160 0.019 . 2 . . . . . 131 LEU CD1 . 51211 1 911 . 1 . 1 138 138 LEU CD2 C 13 25.160 0.019 . 2 . . . . . 131 LEU CD2 . 51211 1 912 . 1 . 1 138 138 LEU N N 15 119.358 0.109 . 1 . . . . . 131 LEU N . 51211 1 913 . 1 . 1 139 139 SER H H 1 8.786 0.005 . 1 . . . . . 132 SER H . 51211 1 914 . 1 . 1 139 139 SER C C 13 174.147 0.000 . 1 . . . . . 132 SER C . 51211 1 915 . 1 . 1 139 139 SER CA C 13 56.444 0.060 . 1 . . . . . 132 SER CA . 51211 1 916 . 1 . 1 139 139 SER CB C 13 65.873 0.082 . 1 . . . . . 132 SER CB . 51211 1 917 . 1 . 1 139 139 SER N N 15 114.168 0.038 . 1 . . . . . 132 SER N . 51211 1 918 . 1 . 1 140 140 LEU H H 1 9.082 0.003 . 1 . . . . . 133 LEU H . 51211 1 919 . 1 . 1 140 140 LEU HD11 H 1 0.419 0.012 . 2 . . . . . 133 LEU MD1 . 51211 1 920 . 1 . 1 140 140 LEU HD12 H 1 0.419 0.012 . 2 . . . . . 133 LEU MD1 . 51211 1 921 . 1 . 1 140 140 LEU HD13 H 1 0.419 0.012 . 2 . . . . . 133 LEU MD1 . 51211 1 922 . 1 . 1 140 140 LEU HD21 H 1 0.419 0.012 . 2 . . . . . 133 LEU MD2 . 51211 1 923 . 1 . 1 140 140 LEU HD22 H 1 0.419 0.012 . 2 . . . . . 133 LEU MD2 . 51211 1 924 . 1 . 1 140 140 LEU HD23 H 1 0.419 0.012 . 2 . . . . . 133 LEU MD2 . 51211 1 925 . 1 . 1 140 140 LEU C C 13 176.725 0.000 . 1 . . . . . 133 LEU C . 51211 1 926 . 1 . 1 140 140 LEU CA C 13 54.710 0.013 . 1 . . . . . 133 LEU CA . 51211 1 927 . 1 . 1 140 140 LEU CB C 13 42.504 0.159 . 1 . . . . . 133 LEU CB . 51211 1 928 . 1 . 1 140 140 LEU CD1 C 13 23.789 0.000 . 2 . . . . . 133 LEU CD1 . 51211 1 929 . 1 . 1 140 140 LEU CD2 C 13 23.789 0.000 . 2 . . . . . 133 LEU CD2 . 51211 1 930 . 1 . 1 140 140 LEU N N 15 128.323 0.072 . 1 . . . . . 133 LEU N . 51211 1 931 . 1 . 1 141 141 SER H H 1 7.729 0.006 . 1 . . . . . 134 SER H . 51211 1 932 . 1 . 1 141 141 SER C C 13 173.483 0.000 . 1 . . . . . 134 SER C . 51211 1 933 . 1 . 1 141 141 SER CA C 13 57.559 0.045 . 1 . . . . . 134 SER CA . 51211 1 934 . 1 . 1 141 141 SER CB C 13 62.451 0.110 . 1 . . . . . 134 SER CB . 51211 1 935 . 1 . 1 141 141 SER N N 15 115.844 0.064 . 1 . . . . . 134 SER N . 51211 1 936 . 1 . 1 142 142 SER H H 1 8.319 0.009 . 1 . . . . . 135 SER H . 51211 1 937 . 1 . 1 142 142 SER C C 13 174.186 0.000 . 1 . . . . . 135 SER C . 51211 1 938 . 1 . 1 142 142 SER CA C 13 58.748 0.006 . 1 . . . . . 135 SER CA . 51211 1 939 . 1 . 1 142 142 SER CB C 13 63.900 0.054 . 1 . . . . . 135 SER CB . 51211 1 940 . 1 . 1 142 142 SER N N 15 118.265 0.060 . 1 . . . . . 135 SER N . 51211 1 941 . 1 . 1 143 143 ARG H H 1 8.421 0.007 . 1 . . . . . 136 ARG H . 51211 1 942 . 1 . 1 143 143 ARG C C 13 175.911 0.000 . 1 . . . . . 136 ARG C . 51211 1 943 . 1 . 1 143 143 ARG CA C 13 55.710 0.045 . 1 . . . . . 136 ARG CA . 51211 1 944 . 1 . 1 143 143 ARG CB C 13 30.022 0.007 . 1 . . . . . 136 ARG CB . 51211 1 945 . 1 . 1 143 143 ARG N N 15 123.128 0.088 . 1 . . . . . 136 ARG N . 51211 1 946 . 1 . 1 144 144 ARG H H 1 8.486 0.005 . 1 . . . . . 137 ARG H . 51211 1 947 . 1 . 1 144 144 ARG C C 13 176.514 0.000 . 1 . . . . . 137 ARG C . 51211 1 948 . 1 . 1 144 144 ARG CA C 13 55.778 0.030 . 1 . . . . . 137 ARG CA . 51211 1 949 . 1 . 1 144 144 ARG CB C 13 29.989 0.013 . 1 . . . . . 137 ARG CB . 51211 1 950 . 1 . 1 144 144 ARG N N 15 123.263 0.057 . 1 . . . . . 137 ARG N . 51211 1 951 . 1 . 1 145 145 CYS H H 1 8.518 0.004 . 1 . . . . . 138 CYS H . 51211 1 952 . 1 . 1 145 145 CYS C C 13 174.097 0.000 . 1 . . . . . 138 CYS C . 51211 1 953 . 1 . 1 145 145 CYS CA C 13 58.270 0.024 . 1 . . . . . 138 CYS CA . 51211 1 954 . 1 . 1 145 145 CYS CB C 13 27.229 0.103 . 1 . . . . . 138 CYS CB . 51211 1 955 . 1 . 1 145 145 CYS N N 15 120.767 0.070 . 1 . . . . . 138 CYS N . 51211 1 956 . 1 . 1 146 146 ASP H H 1 8.360 0.003 . 1 . . . . . 139 ASP H . 51211 1 957 . 1 . 1 146 146 ASP C C 13 175.686 0.000 . 1 . . . . . 139 ASP C . 51211 1 958 . 1 . 1 146 146 ASP CA C 13 54.073 0.026 . 1 . . . . . 139 ASP CA . 51211 1 959 . 1 . 1 146 146 ASP CB C 13 40.486 0.054 . 1 . . . . . 139 ASP CB . 51211 1 960 . 1 . 1 146 146 ASP N N 15 121.792 0.105 . 1 . . . . . 139 ASP N . 51211 1 961 . 1 . 1 147 147 ASP H H 1 8.058 0.005 . 1 . . . . . 140 ASP H . 51211 1 962 . 1 . 1 147 147 ASP C C 13 176.360 0.000 . 1 . . . . . 140 ASP C . 51211 1 963 . 1 . 1 147 147 ASP CA C 13 54.100 0.013 . 1 . . . . . 140 ASP CA . 51211 1 964 . 1 . 1 147 147 ASP CB C 13 40.548 0.074 . 1 . . . . . 140 ASP CB . 51211 1 965 . 1 . 1 147 147 ASP N N 15 119.898 0.025 . 1 . . . . . 140 ASP N . 51211 1 966 . 1 . 1 148 148 VAL H H 1 7.989 0.004 . 1 . . . . . 141 VAL H . 51211 1 967 . 1 . 1 148 148 VAL HG11 H 1 0.884 0.004 . 2 . . . . . 141 VAL MG1 . 51211 1 968 . 1 . 1 148 148 VAL HG12 H 1 0.884 0.004 . 2 . . . . . 141 VAL MG1 . 51211 1 969 . 1 . 1 148 148 VAL HG13 H 1 0.884 0.004 . 2 . . . . . 141 VAL MG1 . 51211 1 970 . 1 . 1 148 148 VAL HG21 H 1 0.884 0.004 . 2 . . . . . 141 VAL MG2 . 51211 1 971 . 1 . 1 148 148 VAL HG22 H 1 0.884 0.004 . 2 . . . . . 141 VAL MG2 . 51211 1 972 . 1 . 1 148 148 VAL HG23 H 1 0.884 0.004 . 2 . . . . . 141 VAL MG2 . 51211 1 973 . 1 . 1 148 148 VAL C C 13 176.377 0.000 . 1 . . . . . 141 VAL C . 51211 1 974 . 1 . 1 148 148 VAL CA C 13 62.184 0.058 . 1 . . . . . 141 VAL CA . 51211 1 975 . 1 . 1 148 148 VAL CB C 13 31.706 0.038 . 1 . . . . . 141 VAL CB . 51211 1 976 . 1 . 1 148 148 VAL N N 15 119.576 0.091 . 1 . . . . . 141 VAL N . 51211 1 977 . 1 . 1 149 149 GLU H H 1 8.376 0.005 . 1 . . . . . 142 GLU H . 51211 1 978 . 1 . 1 149 149 GLU C C 13 176.843 0.000 . 1 . . . . . 142 GLU C . 51211 1 979 . 1 . 1 149 149 GLU CA C 13 56.407 0.015 . 1 . . . . . 142 GLU CA . 51211 1 980 . 1 . 1 149 149 GLU CB C 13 29.175 0.077 . 1 . . . . . 142 GLU CB . 51211 1 981 . 1 . 1 149 149 GLU N N 15 123.255 0.032 . 1 . . . . . 142 GLU N . 51211 1 982 . 1 . 1 150 150 VAL H H 1 8.004 0.004 . 1 . . . . . 143 VAL H . 51211 1 983 . 1 . 1 150 150 VAL HG11 H 1 0.869 0.002 . 2 . . . . . 143 VAL MG1 . 51211 1 984 . 1 . 1 150 150 VAL HG12 H 1 0.869 0.002 . 2 . . . . . 143 VAL MG1 . 51211 1 985 . 1 . 1 150 150 VAL HG13 H 1 0.869 0.002 . 2 . . . . . 143 VAL MG1 . 51211 1 986 . 1 . 1 150 150 VAL HG21 H 1 0.869 0.002 . 2 . . . . . 143 VAL MG2 . 51211 1 987 . 1 . 1 150 150 VAL HG22 H 1 0.869 0.002 . 2 . . . . . 143 VAL MG2 . 51211 1 988 . 1 . 1 150 150 VAL HG23 H 1 0.869 0.002 . 2 . . . . . 143 VAL MG2 . 51211 1 989 . 1 . 1 150 150 VAL C C 13 176.278 0.000 . 1 . . . . . 143 VAL C . 51211 1 990 . 1 . 1 150 150 VAL CA C 13 62.246 0.027 . 1 . . . . . 143 VAL CA . 51211 1 991 . 1 . 1 150 150 VAL CB C 13 31.730 0.042 . 1 . . . . . 143 VAL CB . 51211 1 992 . 1 . 1 150 150 VAL N N 15 120.748 0.161 . 1 . . . . . 143 VAL N . 51211 1 993 . 1 . 1 151 151 ALA H H 1 8.334 0.004 . 1 . . . . . 144 ALA H . 51211 1 994 . 1 . 1 151 151 ALA HB1 H 1 1.392 0.004 . 1 . . . . . 144 ALA MB . 51211 1 995 . 1 . 1 151 151 ALA HB2 H 1 1.392 0.004 . 1 . . . . . 144 ALA MB . 51211 1 996 . 1 . 1 151 151 ALA HB3 H 1 1.392 0.004 . 1 . . . . . 144 ALA MB . 51211 1 997 . 1 . 1 151 151 ALA C C 13 178.235 0.000 . 1 . . . . . 144 ALA C . 51211 1 998 . 1 . 1 151 151 ALA CA C 13 52.824 0.065 . 1 . . . . . 144 ALA CA . 51211 1 999 . 1 . 1 151 151 ALA CB C 13 18.254 0.004 . 1 . . . . . 144 ALA CB . 51211 1 1000 . 1 . 1 151 151 ALA N N 15 126.226 0.025 . 1 . . . . . 144 ALA N . 51211 1 1001 . 1 . 1 152 152 THR H H 1 7.993 0.003 . 1 . . . . . 145 THR H . 51211 1 1002 . 1 . 1 152 152 THR HG21 H 1 1.198 0.026 . 1 . . . . . 145 THR MG . 51211 1 1003 . 1 . 1 152 152 THR HG22 H 1 1.198 0.026 . 1 . . . . . 145 THR MG . 51211 1 1004 . 1 . 1 152 152 THR HG23 H 1 1.198 0.026 . 1 . . . . . 145 THR MG . 51211 1 1005 . 1 . 1 152 152 THR C C 13 174.845 0.000 . 1 . . . . . 145 THR C . 51211 1 1006 . 1 . 1 152 152 THR CA C 13 61.736 0.023 . 1 . . . . . 145 THR CA . 51211 1 1007 . 1 . 1 152 152 THR CB C 13 69.203 0.036 . 1 . . . . . 145 THR CB . 51211 1 1008 . 1 . 1 152 152 THR CG2 C 13 23.422 0.000 . 1 . . . . . 145 THR CG2 . 51211 1 1009 . 1 . 1 152 152 THR N N 15 112.052 0.084 . 1 . . . . . 145 THR N . 51211 1 1010 . 1 . 1 153 153 SER H H 1 8.143 0.003 . 1 . . . . . 146 SER H . 51211 1 1011 . 1 . 1 153 153 SER C C 13 174.689 0.000 . 1 . . . . . 146 SER C . 51211 1 1012 . 1 . 1 153 153 SER CA C 13 58.140 0.030 . 1 . . . . . 146 SER CA . 51211 1 1013 . 1 . 1 153 153 SER CB C 13 63.143 0.062 . 1 . . . . . 146 SER CB . 51211 1 1014 . 1 . 1 153 153 SER N N 15 117.533 0.048 . 1 . . . . . 146 SER N . 51211 1 1015 . 1 . 1 154 154 LEU H H 1 8.235 0.003 . 1 . . . . . 147 LEU H . 51211 1 1016 . 1 . 1 154 154 LEU HD11 H 1 0.831 0.007 . 2 . . . . . 147 LEU MD1 . 51211 1 1017 . 1 . 1 154 154 LEU HD12 H 1 0.831 0.007 . 2 . . . . . 147 LEU MD1 . 51211 1 1018 . 1 . 1 154 154 LEU HD13 H 1 0.831 0.007 . 2 . . . . . 147 LEU MD1 . 51211 1 1019 . 1 . 1 154 154 LEU HD21 H 1 0.831 0.007 . 2 . . . . . 147 LEU MD2 . 51211 1 1020 . 1 . 1 154 154 LEU HD22 H 1 0.831 0.007 . 2 . . . . . 147 LEU MD2 . 51211 1 1021 . 1 . 1 154 154 LEU HD23 H 1 0.831 0.007 . 2 . . . . . 147 LEU MD2 . 51211 1 1022 . 1 . 1 154 154 LEU C C 13 177.607 0.000 . 1 . . . . . 147 LEU C . 51211 1 1023 . 1 . 1 154 154 LEU CA C 13 55.168 0.001 . 1 . . . . . 147 LEU CA . 51211 1 1024 . 1 . 1 154 154 LEU CB C 13 41.077 0.030 . 1 . . . . . 147 LEU CB . 51211 1 1025 . 1 . 1 154 154 LEU N N 15 123.578 0.132 . 1 . . . . . 147 LEU N . 51211 1 1026 . 1 . 1 155 155 SER H H 1 8.275 0.005 . 1 . . . . . 148 SER H . 51211 1 1027 . 1 . 1 155 155 SER C C 13 175.201 0.000 . 1 . . . . . 148 SER C . 51211 1 1028 . 1 . 1 155 155 SER CA C 13 58.287 0.052 . 1 . . . . . 148 SER CA . 51211 1 1029 . 1 . 1 155 155 SER CB C 13 63.250 0.029 . 1 . . . . . 148 SER CB . 51211 1 1030 . 1 . 1 155 155 SER N N 15 115.750 0.059 . 1 . . . . . 148 SER N . 51211 1 1031 . 1 . 1 156 156 GLY H H 1 8.422 0.010 . 1 . . . . . 149 GLY H . 51211 1 1032 . 1 . 1 156 156 GLY C C 13 174.308 0.000 . 1 . . . . . 149 GLY C . 51211 1 1033 . 1 . 1 156 156 GLY CA C 13 45.215 0.039 . 1 . . . . . 149 GLY CA . 51211 1 1034 . 1 . 1 156 156 GLY N N 15 111.278 0.041 . 1 . . . . . 149 GLY N . 51211 1 1035 . 1 . 1 157 157 SER H H 1 8.263 0.003 . 1 . . . . . 150 SER H . 51211 1 1036 . 1 . 1 157 157 SER C C 13 174.639 0.000 . 1 . . . . . 150 SER C . 51211 1 1037 . 1 . 1 157 157 SER CA C 13 58.179 0.042 . 1 . . . . . 150 SER CA . 51211 1 1038 . 1 . 1 157 157 SER CB C 13 63.255 0.042 . 1 . . . . . 150 SER CB . 51211 1 1039 . 1 . 1 157 157 SER N N 15 115.542 0.055 . 1 . . . . . 150 SER N . 51211 1 1040 . 1 . 1 158 158 GLU H H 1 8.550 0.009 . 1 . . . . . 151 GLU H . 51211 1 1041 . 1 . 1 158 158 GLU C C 13 176.557 0.000 . 1 . . . . . 151 GLU C . 51211 1 1042 . 1 . 1 158 158 GLU CA C 13 56.442 0.021 . 1 . . . . . 151 GLU CA . 51211 1 1043 . 1 . 1 158 158 GLU CB C 13 29.272 0.044 . 1 . . . . . 151 GLU CB . 51211 1 1044 . 1 . 1 158 158 GLU N N 15 122.424 0.042 . 1 . . . . . 151 GLU N . 51211 1 1045 . 1 . 1 159 159 THR H H 1 8.090 0.009 . 1 . . . . . 152 THR H . 51211 1 1046 . 1 . 1 159 159 THR HG21 H 1 1.123 0.001 . 1 . . . . . 152 THR MG . 51211 1 1047 . 1 . 1 159 159 THR HG22 H 1 1.123 0.001 . 1 . . . . . 152 THR MG . 51211 1 1048 . 1 . 1 159 159 THR HG23 H 1 1.123 0.001 . 1 . . . . . 152 THR MG . 51211 1 1049 . 1 . 1 159 159 THR C C 13 174.166 0.000 . 1 . . . . . 152 THR C . 51211 1 1050 . 1 . 1 159 159 THR CA C 13 61.185 0.014 . 1 . . . . . 152 THR CA . 51211 1 1051 . 1 . 1 159 159 THR CB C 13 69.296 0.015 . 1 . . . . . 152 THR CB . 51211 1 1052 . 1 . 1 159 159 THR N N 15 114.155 0.069 . 1 . . . . . 152 THR N . 51211 1 1053 . 1 . 1 160 160 THR H H 1 7.971 0.009 . 1 . . . . . 153 THR H . 51211 1 1054 . 1 . 1 160 160 THR HG21 H 1 1.150 0.005 . 1 . . . . . 153 THR MG . 51211 1 1055 . 1 . 1 160 160 THR HG22 H 1 1.150 0.005 . 1 . . . . . 153 THR MG . 51211 1 1056 . 1 . 1 160 160 THR HG23 H 1 1.150 0.005 . 1 . . . . . 153 THR MG . 51211 1 1057 . 1 . 1 160 160 THR CA C 13 58.551 0.000 . 1 . . . . . 153 THR CA . 51211 1 1058 . 1 . 1 160 160 THR CB C 13 68.957 0.000 . 1 . . . . . 153 THR CB . 51211 1 1059 . 1 . 1 160 160 THR N N 15 117.414 0.080 . 1 . . . . . 153 THR N . 51211 1 1060 . 1 . 1 161 161 PRO C C 13 175.859 0.000 . 1 . . . . . 154 PRO C . 51211 1 1061 . 1 . 1 161 161 PRO CA C 13 62.867 0.008 . 1 . . . . . 154 PRO CA . 51211 1 1062 . 1 . 1 161 161 PRO CB C 13 30.514 0.023 . 1 . . . . . 154 PRO CB . 51211 1 1063 . 1 . 1 162 162 PHE H H 1 7.052 0.008 . 1 . . . . . 155 PHE H . 51211 1 1064 . 1 . 1 162 162 PHE C C 13 174.318 0.000 . 1 . . . . . 155 PHE C . 51211 1 1065 . 1 . 1 162 162 PHE CA C 13 55.282 0.018 . 1 . . . . . 155 PHE CA . 51211 1 1066 . 1 . 1 162 162 PHE CB C 13 38.813 0.023 . 1 . . . . . 155 PHE CB . 51211 1 1067 . 1 . 1 162 162 PHE N N 15 116.245 0.072 . 1 . . . . . 155 PHE N . 51211 1 1068 . 1 . 1 163 163 LYS H H 1 8.261 0.011 . 1 . . . . . 156 LYS H . 51211 1 1069 . 1 . 1 163 163 LYS C C 13 176.033 0.000 . 1 . . . . . 156 LYS C . 51211 1 1070 . 1 . 1 163 163 LYS CA C 13 56.478 0.029 . 1 . . . . . 156 LYS CA . 51211 1 1071 . 1 . 1 163 163 LYS CB C 13 33.439 0.037 . 1 . . . . . 156 LYS CB . 51211 1 1072 . 1 . 1 163 163 LYS N N 15 119.101 0.048 . 1 . . . . . 156 LYS N . 51211 1 1073 . 1 . 1 164 164 HIS H H 1 7.317 0.006 . 1 . . . . . 157 HIS H . 51211 1 1074 . 1 . 1 164 164 HIS C C 13 172.382 0.000 . 1 . . . . . 157 HIS C . 51211 1 1075 . 1 . 1 164 164 HIS CA C 13 55.753 0.054 . 1 . . . . . 157 HIS CA . 51211 1 1076 . 1 . 1 164 164 HIS CB C 13 31.027 0.026 . 1 . . . . . 157 HIS CB . 51211 1 1077 . 1 . 1 164 164 HIS N N 15 109.915 0.031 . 1 . . . . . 157 HIS N . 51211 1 1078 . 1 . 1 165 165 VAL H H 1 8.452 0.006 . 1 . . . . . 158 VAL H . 51211 1 1079 . 1 . 1 165 165 VAL HG11 H 1 0.674 0.005 . 2 . . . . . 158 VAL MG1 . 51211 1 1080 . 1 . 1 165 165 VAL HG12 H 1 0.674 0.005 . 2 . . . . . 158 VAL MG1 . 51211 1 1081 . 1 . 1 165 165 VAL HG13 H 1 0.674 0.005 . 2 . . . . . 158 VAL MG1 . 51211 1 1082 . 1 . 1 165 165 VAL HG21 H 1 0.674 0.005 . 2 . . . . . 158 VAL MG2 . 51211 1 1083 . 1 . 1 165 165 VAL HG22 H 1 0.674 0.005 . 2 . . . . . 158 VAL MG2 . 51211 1 1084 . 1 . 1 165 165 VAL HG23 H 1 0.674 0.005 . 2 . . . . . 158 VAL MG2 . 51211 1 1085 . 1 . 1 165 165 VAL C C 13 172.273 0.000 . 1 . . . . . 158 VAL C . 51211 1 1086 . 1 . 1 165 165 VAL CA C 13 61.498 0.046 . 1 . . . . . 158 VAL CA . 51211 1 1087 . 1 . 1 165 165 VAL CB C 13 33.505 0.029 . 1 . . . . . 158 VAL CB . 51211 1 1088 . 1 . 1 165 165 VAL CG1 C 13 23.421 0.222 . 2 . . . . . 158 VAL CG1 . 51211 1 1089 . 1 . 1 165 165 VAL CG2 C 13 23.421 0.222 . 2 . . . . . 158 VAL CG2 . 51211 1 1090 . 1 . 1 165 165 VAL N N 15 118.144 0.064 . 1 . . . . . 158 VAL N . 51211 1 1091 . 1 . 1 166 166 ALA H H 1 9.231 0.005 . 1 . . . . . 159 ALA H . 51211 1 1092 . 1 . 1 166 166 ALA HB1 H 1 1.437 0.004 . 1 . . . . . 159 ALA MB . 51211 1 1093 . 1 . 1 166 166 ALA HB2 H 1 1.437 0.004 . 1 . . . . . 159 ALA MB . 51211 1 1094 . 1 . 1 166 166 ALA HB3 H 1 1.437 0.004 . 1 . . . . . 159 ALA MB . 51211 1 1095 . 1 . 1 166 166 ALA C C 13 177.152 0.000 . 1 . . . . . 159 ALA C . 51211 1 1096 . 1 . 1 166 166 ALA CA C 13 48.702 0.056 . 1 . . . . . 159 ALA CA . 51211 1 1097 . 1 . 1 166 166 ALA CB C 13 20.779 0.022 . 1 . . . . . 159 ALA CB . 51211 1 1098 . 1 . 1 166 166 ALA N N 15 128.551 0.176 . 1 . . . . . 159 ALA N . 51211 1 1099 . 1 . 1 167 167 LEU H H 1 9.076 0.004 . 1 . . . . . 160 LEU H . 51211 1 1100 . 1 . 1 167 167 LEU HD11 H 1 0.660 0.000 . 2 . . . . . 160 LEU MD1 . 51211 1 1101 . 1 . 1 167 167 LEU HD12 H 1 0.660 0.000 . 2 . . . . . 160 LEU MD1 . 51211 1 1102 . 1 . 1 167 167 LEU HD13 H 1 0.660 0.000 . 2 . . . . . 160 LEU MD1 . 51211 1 1103 . 1 . 1 167 167 LEU HD21 H 1 0.455 0.007 . 2 . . . . . 160 LEU MD2 . 51211 1 1104 . 1 . 1 167 167 LEU HD22 H 1 0.455 0.007 . 2 . . . . . 160 LEU MD2 . 51211 1 1105 . 1 . 1 167 167 LEU HD23 H 1 0.455 0.007 . 2 . . . . . 160 LEU MD2 . 51211 1 1106 . 1 . 1 167 167 LEU C C 13 177.050 0.000 . 1 . . . . . 160 LEU C . 51211 1 1107 . 1 . 1 167 167 LEU CA C 13 54.059 0.071 . 1 . . . . . 160 LEU CA . 51211 1 1108 . 1 . 1 167 167 LEU CB C 13 39.962 0.070 . 1 . . . . . 160 LEU CB . 51211 1 1109 . 1 . 1 167 167 LEU CD1 C 13 24.297 0.000 . 1 . . . . . 160 LEU CD1 . 51211 1 1110 . 1 . 1 167 167 LEU CD2 C 13 24.489 0.000 . 1 . . . . . 160 LEU CD2 . 51211 1 1111 . 1 . 1 167 167 LEU N N 15 122.229 0.032 . 1 . . . . . 160 LEU N . 51211 1 1112 . 1 . 1 168 168 CYS H H 1 8.864 0.008 . 1 . . . . . 161 CYS H . 51211 1 1113 . 1 . 1 168 168 CYS C C 13 174.985 0.000 . 1 . . . . . 161 CYS C . 51211 1 1114 . 1 . 1 168 168 CYS CA C 13 57.063 0.035 . 1 . . . . . 161 CYS CA . 51211 1 1115 . 1 . 1 168 168 CYS CB C 13 30.490 0.035 . 1 . . . . . 161 CYS CB . 51211 1 1116 . 1 . 1 168 168 CYS N N 15 120.471 0.109 . 1 . . . . . 161 CYS N . 51211 1 1117 . 1 . 1 169 169 SER H H 1 9.152 0.004 . 1 . . . . . 162 SER H . 51211 1 1118 . 1 . 1 169 169 SER C C 13 174.709 0.000 . 1 . . . . . 162 SER C . 51211 1 1119 . 1 . 1 169 169 SER CA C 13 58.282 0.033 . 1 . . . . . 162 SER CA . 51211 1 1120 . 1 . 1 169 169 SER CB C 13 62.942 0.023 . 1 . . . . . 162 SER CB . 51211 1 1121 . 1 . 1 169 169 SER N N 15 119.032 0.038 . 1 . . . . . 162 SER N . 51211 1 1122 . 1 . 1 170 170 VAL H H 1 7.829 0.005 . 1 . . . . . 163 VAL H . 51211 1 1123 . 1 . 1 170 170 VAL HG11 H 1 0.879 0.004 . 2 . . . . . 163 VAL MG1 . 51211 1 1124 . 1 . 1 170 170 VAL HG12 H 1 0.879 0.004 . 2 . . . . . 163 VAL MG1 . 51211 1 1125 . 1 . 1 170 170 VAL HG13 H 1 0.879 0.004 . 2 . . . . . 163 VAL MG1 . 51211 1 1126 . 1 . 1 170 170 VAL HG21 H 1 0.879 0.004 . 2 . . . . . 163 VAL MG2 . 51211 1 1127 . 1 . 1 170 170 VAL HG22 H 1 0.879 0.004 . 2 . . . . . 163 VAL MG2 . 51211 1 1128 . 1 . 1 170 170 VAL HG23 H 1 0.879 0.004 . 2 . . . . . 163 VAL MG2 . 51211 1 1129 . 1 . 1 170 170 VAL C C 13 175.875 0.000 . 1 . . . . . 163 VAL C . 51211 1 1130 . 1 . 1 170 170 VAL CA C 13 61.074 0.029 . 1 . . . . . 163 VAL CA . 51211 1 1131 . 1 . 1 170 170 VAL CB C 13 32.793 0.046 . 1 . . . . . 163 VAL CB . 51211 1 1132 . 1 . 1 170 170 VAL CG1 C 13 20.190 0.069 . 2 . . . . . 163 VAL CG1 . 51211 1 1133 . 1 . 1 170 170 VAL CG2 C 13 20.190 0.069 . 2 . . . . . 163 VAL CG2 . 51211 1 1134 . 1 . 1 170 170 VAL N N 15 119.447 0.085 . 1 . . . . . 163 VAL N . 51211 1 1135 . 1 . 1 171 171 GLY H H 1 8.506 0.011 . 1 . . . . . 164 GLY H . 51211 1 1136 . 1 . 1 171 171 GLY CA C 13 44.678 0.000 . 1 . . . . . 164 GLY CA . 51211 1 1137 . 1 . 1 171 171 GLY N N 15 112.036 0.032 . 1 . . . . . 164 GLY N . 51211 1 1138 . 1 . 1 174 174 ARG C C 13 176.714 0.000 . 1 . . . . . 167 ARG C . 51211 1 1139 . 1 . 1 174 174 ARG CA C 13 56.368 0.037 . 1 . . . . . 167 ARG CA . 51211 1 1140 . 1 . 1 174 174 ARG CB C 13 29.424 0.050 . 1 . . . . . 167 ARG CB . 51211 1 1141 . 1 . 1 175 175 GLY H H 1 8.574 0.009 . 1 . . . . . 168 GLY H . 51211 1 1142 . 1 . 1 175 175 GLY C C 13 174.639 0.000 . 1 . . . . . 168 GLY C . 51211 1 1143 . 1 . 1 175 175 GLY CA C 13 45.087 0.082 . 1 . . . . . 168 GLY CA . 51211 1 1144 . 1 . 1 175 175 GLY N N 15 109.487 0.028 . 1 . . . . . 168 GLY N . 51211 1 1145 . 1 . 1 176 176 THR H H 1 7.925 0.004 . 1 . . . . . 169 THR H . 51211 1 1146 . 1 . 1 176 176 THR HG21 H 1 1.167 0.015 . 1 . . . . . 169 THR MG . 51211 1 1147 . 1 . 1 176 176 THR HG22 H 1 1.167 0.015 . 1 . . . . . 169 THR MG . 51211 1 1148 . 1 . 1 176 176 THR HG23 H 1 1.167 0.015 . 1 . . . . . 169 THR MG . 51211 1 1149 . 1 . 1 176 176 THR C C 13 174.143 0.000 . 1 . . . . . 169 THR C . 51211 1 1150 . 1 . 1 176 176 THR CA C 13 61.221 0.052 . 1 . . . . . 169 THR CA . 51211 1 1151 . 1 . 1 176 176 THR CB C 13 69.057 0.053 . 1 . . . . . 169 THR CB . 51211 1 1152 . 1 . 1 176 176 THR CG2 C 13 24.037 0.000 . 1 . . . . . 169 THR CG2 . 51211 1 1153 . 1 . 1 176 176 THR N N 15 112.873 0.091 . 1 . . . . . 169 THR N . 51211 1 1154 . 1 . 1 177 177 LEU H H 1 7.990 0.006 . 1 . . . . . 170 LEU H . 51211 1 1155 . 1 . 1 177 177 LEU HD11 H 1 0.994 0.022 . 2 . . . . . 170 LEU MD1 . 51211 1 1156 . 1 . 1 177 177 LEU HD12 H 1 0.994 0.022 . 2 . . . . . 170 LEU MD1 . 51211 1 1157 . 1 . 1 177 177 LEU HD13 H 1 0.994 0.022 . 2 . . . . . 170 LEU MD1 . 51211 1 1158 . 1 . 1 177 177 LEU HD21 H 1 0.994 0.022 . 2 . . . . . 170 LEU MD2 . 51211 1 1159 . 1 . 1 177 177 LEU HD22 H 1 0.994 0.022 . 2 . . . . . 170 LEU MD2 . 51211 1 1160 . 1 . 1 177 177 LEU HD23 H 1 0.994 0.022 . 2 . . . . . 170 LEU MD2 . 51211 1 1161 . 1 . 1 177 177 LEU C C 13 176.777 0.000 . 1 . . . . . 170 LEU C . 51211 1 1162 . 1 . 1 177 177 LEU CA C 13 55.178 0.037 . 1 . . . . . 170 LEU CA . 51211 1 1163 . 1 . 1 177 177 LEU CB C 13 42.083 0.130 . 1 . . . . . 170 LEU CB . 51211 1 1164 . 1 . 1 177 177 LEU CD1 C 13 24.976 0.009 . 2 . . . . . 170 LEU CD1 . 51211 1 1165 . 1 . 1 177 177 LEU CD2 C 13 24.976 0.009 . 2 . . . . . 170 LEU CD2 . 51211 1 1166 . 1 . 1 177 177 LEU N N 15 124.091 0.059 . 1 . . . . . 170 LEU N . 51211 1 1167 . 1 . 1 178 178 ALA H H 1 8.333 0.004 . 1 . . . . . 171 ALA H . 51211 1 1168 . 1 . 1 178 178 ALA HB1 H 1 1.041 0.004 . 1 . . . . . 171 ALA MB . 51211 1 1169 . 1 . 1 178 178 ALA HB2 H 1 1.041 0.004 . 1 . . . . . 171 ALA MB . 51211 1 1170 . 1 . 1 178 178 ALA HB3 H 1 1.041 0.004 . 1 . . . . . 171 ALA MB . 51211 1 1171 . 1 . 1 178 178 ALA C C 13 176.480 0.000 . 1 . . . . . 171 ALA C . 51211 1 1172 . 1 . 1 178 178 ALA CA C 13 50.799 0.132 . 1 . . . . . 171 ALA CA . 51211 1 1173 . 1 . 1 178 178 ALA CB C 13 19.273 0.082 . 1 . . . . . 171 ALA CB . 51211 1 1174 . 1 . 1 178 178 ALA N N 15 126.671 0.082 . 1 . . . . . 171 ALA N . 51211 1 1175 . 1 . 1 179 179 VAL H H 1 8.843 0.005 . 1 . . . . . 172 VAL H . 51211 1 1176 . 1 . 1 179 179 VAL HG11 H 1 0.969 0.007 . 2 . . . . . 172 VAL MG1 . 51211 1 1177 . 1 . 1 179 179 VAL HG12 H 1 0.969 0.007 . 2 . . . . . 172 VAL MG1 . 51211 1 1178 . 1 . 1 179 179 VAL HG13 H 1 0.969 0.007 . 2 . . . . . 172 VAL MG1 . 51211 1 1179 . 1 . 1 179 179 VAL HG21 H 1 0.730 0.023 . 2 . . . . . 172 VAL MG2 . 51211 1 1180 . 1 . 1 179 179 VAL HG22 H 1 0.730 0.023 . 2 . . . . . 172 VAL MG2 . 51211 1 1181 . 1 . 1 179 179 VAL HG23 H 1 0.730 0.023 . 2 . . . . . 172 VAL MG2 . 51211 1 1182 . 1 . 1 179 179 VAL C C 13 174.214 0.000 . 1 . . . . . 172 VAL C . 51211 1 1183 . 1 . 1 179 179 VAL CA C 13 61.088 0.008 . 1 . . . . . 172 VAL CA . 51211 1 1184 . 1 . 1 179 179 VAL CB C 13 33.591 0.025 . 1 . . . . . 172 VAL CB . 51211 1 1185 . 1 . 1 179 179 VAL CG1 C 13 22.006 0.040 . 2 . . . . . 172 VAL CG1 . 51211 1 1186 . 1 . 1 179 179 VAL CG2 C 13 22.286 0.010 . 2 . . . . . 172 VAL CG2 . 51211 1 1187 . 1 . 1 179 179 VAL N N 15 121.289 0.031 . 1 . . . . . 172 VAL N . 51211 1 1188 . 1 . 1 180 180 TYR H H 1 8.683 0.008 . 1 . . . . . 173 TYR H . 51211 1 1189 . 1 . 1 180 180 TYR C C 13 176.075 0.000 . 1 . . . . . 173 TYR C . 51211 1 1190 . 1 . 1 180 180 TYR CA C 13 56.040 0.118 . 1 . . . . . 173 TYR CA . 51211 1 1191 . 1 . 1 180 180 TYR CB C 13 41.660 0.053 . 1 . . . . . 173 TYR CB . 51211 1 1192 . 1 . 1 180 180 TYR N N 15 124.261 0.059 . 1 . . . . . 173 TYR N . 51211 1 1193 . 1 . 1 181 181 GLY H H 1 8.903 0.005 . 1 . . . . . 174 GLY H . 51211 1 1194 . 1 . 1 181 181 GLY C C 13 172.262 0.000 . 1 . . . . . 174 GLY C . 51211 1 1195 . 1 . 1 181 181 GLY CA C 13 45.368 0.191 . 1 . . . . . 174 GLY CA . 51211 1 1196 . 1 . 1 181 181 GLY N N 15 103.750 0.063 . 1 . . . . . 174 GLY N . 51211 1 1197 . 1 . 1 182 182 ARG H H 1 8.860 0.011 . 1 . . . . . 175 ARG H . 51211 1 1198 . 1 . 1 182 182 ARG C C 13 175.095 0.000 . 1 . . . . . 175 ARG C . 51211 1 1199 . 1 . 1 182 182 ARG CA C 13 55.489 0.140 . 1 . . . . . 175 ARG CA . 51211 1 1200 . 1 . 1 182 182 ARG CB C 13 29.510 0.037 . 1 . . . . . 175 ARG CB . 51211 1 1201 . 1 . 1 182 182 ARG N N 15 118.701 0.116 . 1 . . . . . 175 ARG N . 51211 1 1202 . 1 . 1 183 183 ASP H H 1 7.626 0.007 . 1 . . . . . 176 ASP H . 51211 1 1203 . 1 . 1 183 183 ASP CA C 13 49.858 0.000 . 1 . . . . . 176 ASP CA . 51211 1 1204 . 1 . 1 183 183 ASP CB C 13 42.867 0.000 . 1 . . . . . 176 ASP CB . 51211 1 1205 . 1 . 1 183 183 ASP N N 15 119.135 0.055 . 1 . . . . . 176 ASP N . 51211 1 1206 . 1 . 1 185 185 GLU C C 13 178.796 0.000 . 1 . . . . . 178 GLU C . 51211 1 1207 . 1 . 1 185 185 GLU CA C 13 44.799 0.020 . 1 . . . . . 178 GLU CA . 51211 1 1208 . 1 . 1 185 185 GLU CB C 13 29.487 0.014 . 1 . . . . . 178 GLU CB . 51211 1 1209 . 1 . 1 186 186 TRP H H 1 7.429 0.007 . 1 . . . . . 179 TRP H . 51211 1 1210 . 1 . 1 186 186 TRP HE1 H 1 10.220 0.004 . 1 . . . . . 179 TRP HE1 . 51211 1 1211 . 1 . 1 186 186 TRP C C 13 178.808 0.000 . 1 . . . . . 179 TRP C . 51211 1 1212 . 1 . 1 186 186 TRP CA C 13 61.103 0.042 . 1 . . . . . 179 TRP CA . 51211 1 1213 . 1 . 1 186 186 TRP CB C 13 28.660 0.099 . 1 . . . . . 179 TRP CB . 51211 1 1214 . 1 . 1 186 186 TRP N N 15 120.693 0.039 . 1 . . . . . 179 TRP N . 51211 1 1215 . 1 . 1 186 186 TRP NE1 N 15 130.388 0.006 . 1 . . . . . 179 TRP NE1 . 51211 1 1216 . 1 . 1 187 187 VAL H H 1 7.751 0.004 . 1 . . . . . 180 VAL H . 51211 1 1217 . 1 . 1 187 187 VAL HG11 H 1 1.023 0.017 . 2 . . . . . 180 VAL MG1 . 51211 1 1218 . 1 . 1 187 187 VAL HG12 H 1 1.023 0.017 . 2 . . . . . 180 VAL MG1 . 51211 1 1219 . 1 . 1 187 187 VAL HG13 H 1 1.023 0.017 . 2 . . . . . 180 VAL MG1 . 51211 1 1220 . 1 . 1 187 187 VAL HG21 H 1 0.818 0.002 . 2 . . . . . 180 VAL MG2 . 51211 1 1221 . 1 . 1 187 187 VAL HG22 H 1 0.818 0.002 . 2 . . . . . 180 VAL MG2 . 51211 1 1222 . 1 . 1 187 187 VAL HG23 H 1 0.818 0.002 . 2 . . . . . 180 VAL MG2 . 51211 1 1223 . 1 . 1 187 187 VAL C C 13 178.145 0.000 . 1 . . . . . 180 VAL C . 51211 1 1224 . 1 . 1 187 187 VAL CA C 13 66.732 0.080 . 1 . . . . . 180 VAL CA . 51211 1 1225 . 1 . 1 187 187 VAL CB C 13 30.651 0.032 . 1 . . . . . 180 VAL CB . 51211 1 1226 . 1 . 1 187 187 VAL CG1 C 13 20.199 0.042 . 2 . . . . . 180 VAL CG1 . 51211 1 1227 . 1 . 1 187 187 VAL CG2 C 13 20.199 0.042 . 2 . . . . . 180 VAL CG2 . 51211 1 1228 . 1 . 1 187 187 VAL N N 15 116.102 0.049 . 1 . . . . . 180 VAL N . 51211 1 1229 . 1 . 1 188 188 THR H H 1 7.692 0.005 . 1 . . . . . 181 THR H . 51211 1 1230 . 1 . 1 188 188 THR HG21 H 1 1.304 0.010 . 1 . . . . . 181 THR MG . 51211 1 1231 . 1 . 1 188 188 THR HG22 H 1 1.304 0.010 . 1 . . . . . 181 THR MG . 51211 1 1232 . 1 . 1 188 188 THR HG23 H 1 1.304 0.010 . 1 . . . . . 181 THR MG . 51211 1 1233 . 1 . 1 188 188 THR C C 13 177.257 0.000 . 1 . . . . . 181 THR C . 51211 1 1234 . 1 . 1 188 188 THR CA C 13 65.807 0.012 . 1 . . . . . 181 THR CA . 51211 1 1235 . 1 . 1 188 188 THR CB C 13 68.349 0.111 . 1 . . . . . 181 THR CB . 51211 1 1236 . 1 . 1 188 188 THR CG2 C 13 23.533 0.000 . 1 . . . . . 181 THR CG2 . 51211 1 1237 . 1 . 1 188 188 THR N N 15 107.559 0.082 . 1 . . . . . 181 THR N . 51211 1 1238 . 1 . 1 189 189 GLN H H 1 7.680 0.005 . 1 . . . . . 182 GLN H . 51211 1 1239 . 1 . 1 189 189 GLN HE21 H 1 7.448 0.005 . 2 . . . . . 182 GLN HE21 . 51211 1 1240 . 1 . 1 189 189 GLN HE22 H 1 6.682 0.004 . 2 . . . . . 182 GLN HE22 . 51211 1 1241 . 1 . 1 189 189 GLN C C 13 176.358 0.000 . 1 . . . . . 182 GLN C . 51211 1 1242 . 1 . 1 189 189 GLN CA C 13 57.001 0.048 . 1 . . . . . 182 GLN CA . 51211 1 1243 . 1 . 1 189 189 GLN CB C 13 27.022 0.064 . 1 . . . . . 182 GLN CB . 51211 1 1244 . 1 . 1 189 189 GLN CG C 13 33.377 0.035 . 1 . . . . . 182 GLN CG . 51211 1 1245 . 1 . 1 189 189 GLN CD C 13 179.993 0.003 . 1 . . . . . 182 GLN CD . 51211 1 1246 . 1 . 1 189 189 GLN N N 15 120.533 0.041 . 1 . . . . . 182 GLN N . 51211 1 1247 . 1 . 1 189 189 GLN NE2 N 15 111.142 0.136 . 1 . . . . . 182 GLN NE2 . 51211 1 1248 . 1 . 1 190 190 ARG H H 1 7.244 0.008 . 1 . . . . . 183 ARG H . 51211 1 1249 . 1 . 1 190 190 ARG C C 13 174.830 0.000 . 1 . . . . . 183 ARG C . 51211 1 1250 . 1 . 1 190 190 ARG CA C 13 54.798 0.122 . 1 . . . . . 183 ARG CA . 51211 1 1251 . 1 . 1 190 190 ARG CB C 13 28.135 0.025 . 1 . . . . . 183 ARG CB . 51211 1 1252 . 1 . 1 190 190 ARG N N 15 117.051 0.052 . 1 . . . . . 183 ARG N . 51211 1 1253 . 1 . 1 191 191 PHE H H 1 7.036 0.006 . 1 . . . . . 184 PHE H . 51211 1 1254 . 1 . 1 191 191 PHE CA C 13 55.210 0.000 . 1 . . . . . 184 PHE CA . 51211 1 1255 . 1 . 1 191 191 PHE CB C 13 38.155 0.000 . 1 . . . . . 184 PHE CB . 51211 1 1256 . 1 . 1 191 191 PHE N N 15 118.671 0.052 . 1 . . . . . 184 PHE N . 51211 1 1257 . 1 . 1 192 192 PRO C C 13 176.586 0.000 . 1 . . . . . 185 PRO C . 51211 1 1258 . 1 . 1 192 192 PRO CA C 13 63.592 0.202 . 1 . . . . . 185 PRO CA . 51211 1 1259 . 1 . 1 192 192 PRO CB C 13 31.123 0.009 . 1 . . . . . 185 PRO CB . 51211 1 1260 . 1 . 1 193 193 ASP H H 1 8.660 0.007 . 1 . . . . . 186 ASP H . 51211 1 1261 . 1 . 1 193 193 ASP C C 13 176.619 0.000 . 1 . . . . . 186 ASP C . 51211 1 1262 . 1 . 1 193 193 ASP CA C 13 54.588 0.038 . 1 . . . . . 186 ASP CA . 51211 1 1263 . 1 . 1 193 193 ASP CB C 13 40.169 0.118 . 1 . . . . . 186 ASP CB . 51211 1 1264 . 1 . 1 193 193 ASP N N 15 114.656 0.030 . 1 . . . . . 186 ASP N . 51211 1 1265 . 1 . 1 194 194 LEU H H 1 7.311 0.005 . 1 . . . . . 187 LEU H . 51211 1 1266 . 1 . 1 194 194 LEU HD11 H 1 0.275 0.003 . 2 . . . . . 187 LEU MD1 . 51211 1 1267 . 1 . 1 194 194 LEU HD12 H 1 0.275 0.003 . 2 . . . . . 187 LEU MD1 . 51211 1 1268 . 1 . 1 194 194 LEU HD13 H 1 0.275 0.003 . 2 . . . . . 187 LEU MD1 . 51211 1 1269 . 1 . 1 194 194 LEU HD21 H 1 -0.071 0.012 . 2 . . . . . 187 LEU MD2 . 51211 1 1270 . 1 . 1 194 194 LEU HD22 H 1 -0.071 0.012 . 2 . . . . . 187 LEU MD2 . 51211 1 1271 . 1 . 1 194 194 LEU HD23 H 1 -0.071 0.012 . 2 . . . . . 187 LEU MD2 . 51211 1 1272 . 1 . 1 194 194 LEU C C 13 177.137 0.000 . 1 . . . . . 187 LEU C . 51211 1 1273 . 1 . 1 194 194 LEU CA C 13 53.989 0.036 . 1 . . . . . 187 LEU CA . 51211 1 1274 . 1 . 1 194 194 LEU CB C 13 41.187 0.009 . 1 . . . . . 187 LEU CB . 51211 1 1275 . 1 . 1 194 194 LEU CD1 C 13 22.964 0.008 . 2 . . . . . 187 LEU CD1 . 51211 1 1276 . 1 . 1 194 194 LEU CD2 C 13 24.721 0.002 . 2 . . . . . 187 LEU CD2 . 51211 1 1277 . 1 . 1 194 194 LEU N N 15 117.855 0.029 . 1 . . . . . 187 LEU N . 51211 1 1278 . 1 . 1 195 195 THR H H 1 9.517 0.006 . 1 . . . . . 188 THR H . 51211 1 1279 . 1 . 1 195 195 THR HG21 H 1 1.372 0.000 . 1 . . . . . 188 THR MG . 51211 1 1280 . 1 . 1 195 195 THR HG22 H 1 1.372 0.000 . 1 . . . . . 188 THR MG . 51211 1 1281 . 1 . 1 195 195 THR HG23 H 1 1.372 0.000 . 1 . . . . . 188 THR MG . 51211 1 1282 . 1 . 1 195 195 THR C C 13 175.532 0.000 . 1 . . . . . 188 THR C . 51211 1 1283 . 1 . 1 195 195 THR CA C 13 59.881 0.007 . 1 . . . . . 188 THR CA . 51211 1 1284 . 1 . 1 195 195 THR CB C 13 71.549 0.006 . 1 . . . . . 188 THR CB . 51211 1 1285 . 1 . 1 195 195 THR N N 15 115.437 0.040 . 1 . . . . . 188 THR N . 51211 1 1286 . 1 . 1 196 196 ALA H H 1 8.824 0.006 . 1 . . . . . 189 ALA H . 51211 1 1287 . 1 . 1 196 196 ALA HB1 H 1 1.402 0.010 . 1 . . . . . 189 ALA MB . 51211 1 1288 . 1 . 1 196 196 ALA HB2 H 1 1.402 0.010 . 1 . . . . . 189 ALA MB . 51211 1 1289 . 1 . 1 196 196 ALA HB3 H 1 1.402 0.010 . 1 . . . . . 189 ALA MB . 51211 1 1290 . 1 . 1 196 196 ALA C C 13 179.809 0.000 . 1 . . . . . 189 ALA C . 51211 1 1291 . 1 . 1 196 196 ALA CA C 13 55.188 0.048 . 1 . . . . . 189 ALA CA . 51211 1 1292 . 1 . 1 196 196 ALA CB C 13 16.716 0.025 . 1 . . . . . 189 ALA CB . 51211 1 1293 . 1 . 1 196 196 ALA N N 15 122.949 0.060 . 1 . . . . . 189 ALA N . 51211 1 1294 . 1 . 1 197 197 ALA H H 1 8.111 0.006 . 1 . . . . . 190 ALA H . 51211 1 1295 . 1 . 1 197 197 ALA HB1 H 1 1.369 0.020 . 1 . . . . . 190 ALA MB . 51211 1 1296 . 1 . 1 197 197 ALA HB2 H 1 1.369 0.020 . 1 . . . . . 190 ALA MB . 51211 1 1297 . 1 . 1 197 197 ALA HB3 H 1 1.369 0.020 . 1 . . . . . 190 ALA MB . 51211 1 1298 . 1 . 1 197 197 ALA C C 13 181.347 0.000 . 1 . . . . . 190 ALA C . 51211 1 1299 . 1 . 1 197 197 ALA CA C 13 54.436 0.080 . 1 . . . . . 190 ALA CA . 51211 1 1300 . 1 . 1 197 197 ALA CB C 13 17.132 0.011 . 1 . . . . . 190 ALA CB . 51211 1 1301 . 1 . 1 197 197 ALA N N 15 119.995 0.037 . 1 . . . . . 190 ALA N . 51211 1 1302 . 1 . 1 198 198 ASP H H 1 7.931 0.009 . 1 . . . . . 191 ASP H . 51211 1 1303 . 1 . 1 198 198 ASP CA C 13 57.018 0.000 . 1 . . . . . 191 ASP CA . 51211 1 1304 . 1 . 1 198 198 ASP CB C 13 41.063 0.000 . 1 . . . . . 191 ASP CB . 51211 1 1305 . 1 . 1 198 198 ASP N N 15 121.828 0.053 . 1 . . . . . 191 ASP N . 51211 1 1306 . 1 . 1 199 199 ARG C C 13 178.114 0.000 . 1 . . . . . 192 ARG C . 51211 1 1307 . 1 . 1 199 199 ARG CA C 13 55.730 0.012 . 1 . . . . . 192 ARG CA . 51211 1 1308 . 1 . 1 199 199 ARG CB C 13 34.032 0.013 . 1 . . . . . 192 ARG CB . 51211 1 1309 . 1 . 1 200 200 ASP H H 1 8.419 0.006 . 1 . . . . . 193 ASP H . 51211 1 1310 . 1 . 1 200 200 ASP C C 13 179.499 0.000 . 1 . . . . . 193 ASP C . 51211 1 1311 . 1 . 1 200 200 ASP CA C 13 56.964 0.012 . 1 . . . . . 193 ASP CA . 51211 1 1312 . 1 . 1 200 200 ASP CB C 13 39.357 0.016 . 1 . . . . . 193 ASP CB . 51211 1 1313 . 1 . 1 200 200 ASP N N 15 120.717 0.033 . 1 . . . . . 193 ASP N . 51211 1 1314 . 1 . 1 201 201 GLY H H 1 7.844 0.005 . 1 . . . . . 194 GLY H . 51211 1 1315 . 1 . 1 201 201 GLY C C 13 177.455 0.000 . 1 . . . . . 194 GLY C . 51211 1 1316 . 1 . 1 201 201 GLY CA C 13 46.386 0.027 . 1 . . . . . 194 GLY CA . 51211 1 1317 . 1 . 1 201 201 GLY N N 15 108.581 0.051 . 1 . . . . . 194 GLY N . 51211 1 1318 . 1 . 1 202 202 LEU H H 1 7.792 0.007 . 1 . . . . . 195 LEU H . 51211 1 1319 . 1 . 1 202 202 LEU HD11 H 1 0.577 0.012 . 2 . . . . . 195 LEU MD1 . 51211 1 1320 . 1 . 1 202 202 LEU HD12 H 1 0.577 0.012 . 2 . . . . . 195 LEU MD1 . 51211 1 1321 . 1 . 1 202 202 LEU HD13 H 1 0.577 0.012 . 2 . . . . . 195 LEU MD1 . 51211 1 1322 . 1 . 1 202 202 LEU HD21 H 1 0.577 0.012 . 2 . . . . . 195 LEU MD2 . 51211 1 1323 . 1 . 1 202 202 LEU HD22 H 1 0.577 0.012 . 2 . . . . . 195 LEU MD2 . 51211 1 1324 . 1 . 1 202 202 LEU HD23 H 1 0.577 0.012 . 2 . . . . . 195 LEU MD2 . 51211 1 1325 . 1 . 1 202 202 LEU C C 13 175.342 0.000 . 1 . . . . . 195 LEU C . 51211 1 1326 . 1 . 1 202 202 LEU CA C 13 57.531 0.036 . 1 . . . . . 195 LEU CA . 51211 1 1327 . 1 . 1 202 202 LEU CB C 13 41.638 0.018 . 1 . . . . . 195 LEU CB . 51211 1 1328 . 1 . 1 202 202 LEU CD1 C 13 27.586 0.028 . 2 . . . . . 195 LEU CD1 . 51211 1 1329 . 1 . 1 202 202 LEU CD2 C 13 27.586 0.028 . 2 . . . . . 195 LEU CD2 . 51211 1 1330 . 1 . 1 202 202 LEU N N 15 123.004 0.021 . 1 . . . . . 195 LEU N . 51211 1 1331 . 1 . 1 203 203 ARG H H 1 8.227 0.009 . 1 . . . . . 196 ARG H . 51211 1 1332 . 1 . 1 203 203 ARG C C 13 177.307 0.000 . 1 . . . . . 196 ARG C . 51211 1 1333 . 1 . 1 203 203 ARG CA C 13 55.161 0.055 . 1 . . . . . 196 ARG CA . 51211 1 1334 . 1 . 1 203 203 ARG CB C 13 28.247 0.019 . 1 . . . . . 196 ARG CB . 51211 1 1335 . 1 . 1 203 203 ARG N N 15 125.501 0.025 . 1 . . . . . 196 ARG N . 51211 1 1336 . 1 . 1 204 204 ALA H H 1 7.240 0.006 . 1 . . . . . 197 ALA H . 51211 1 1337 . 1 . 1 204 204 ALA HB1 H 1 1.361 0.012 . 1 . . . . . 197 ALA MB . 51211 1 1338 . 1 . 1 204 204 ALA HB2 H 1 1.361 0.012 . 1 . . . . . 197 ALA MB . 51211 1 1339 . 1 . 1 204 204 ALA HB3 H 1 1.361 0.012 . 1 . . . . . 197 ALA MB . 51211 1 1340 . 1 . 1 204 204 ALA C C 13 180.328 0.000 . 1 . . . . . 197 ALA C . 51211 1 1341 . 1 . 1 204 204 ALA CA C 13 53.845 0.141 . 1 . . . . . 197 ALA CA . 51211 1 1342 . 1 . 1 204 204 ALA CB C 13 17.038 0.049 . 1 . . . . . 197 ALA CB . 51211 1 1343 . 1 . 1 204 204 ALA N N 15 117.701 0.075 . 1 . . . . . 197 ALA N . 51211 1 1344 . 1 . 1 205 205 GLN H H 1 7.038 0.005 . 1 . . . . . 198 GLN H . 51211 1 1345 . 1 . 1 205 205 GLN C C 13 179.113 0.000 . 1 . . . . . 198 GLN C . 51211 1 1346 . 1 . 1 205 205 GLN CA C 13 58.295 0.030 . 1 . . . . . 198 GLN CA . 51211 1 1347 . 1 . 1 205 205 GLN CB C 13 29.412 0.003 . 1 . . . . . 198 GLN CB . 51211 1 1348 . 1 . 1 205 205 GLN N N 15 113.706 0.056 . 1 . . . . . 198 GLN N . 51211 1 1349 . 1 . 1 206 206 TRP H H 1 8.671 0.007 . 1 . . . . . 199 TRP H . 51211 1 1350 . 1 . 1 206 206 TRP HE1 H 1 10.595 0.004 . 1 . . . . . 199 TRP HE1 . 51211 1 1351 . 1 . 1 206 206 TRP C C 13 179.476 0.000 . 1 . . . . . 199 TRP C . 51211 1 1352 . 1 . 1 206 206 TRP CA C 13 59.907 0.028 . 1 . . . . . 199 TRP CA . 51211 1 1353 . 1 . 1 206 206 TRP CB C 13 29.994 0.025 . 1 . . . . . 199 TRP CB . 51211 1 1354 . 1 . 1 206 206 TRP N N 15 118.831 0.055 . 1 . . . . . 199 TRP N . 51211 1 1355 . 1 . 1 206 206 TRP NE1 N 15 131.498 0.049 . 1 . . . . . 199 TRP NE1 . 51211 1 1356 . 1 . 1 207 207 GLN H H 1 8.007 0.006 . 1 . . . . . 200 GLN H . 51211 1 1357 . 1 . 1 207 207 GLN HE21 H 1 7.176 0.006 . 2 . . . . . 200 GLN HE21 . 51211 1 1358 . 1 . 1 207 207 GLN HE22 H 1 6.742 0.004 . 2 . . . . . 200 GLN HE22 . 51211 1 1359 . 1 . 1 207 207 GLN C C 13 177.214 0.000 . 1 . . . . . 200 GLN C . 51211 1 1360 . 1 . 1 207 207 GLN CA C 13 57.517 0.046 . 1 . . . . . 200 GLN CA . 51211 1 1361 . 1 . 1 207 207 GLN CB C 13 27.380 0.197 . 1 . . . . . 200 GLN CB . 51211 1 1362 . 1 . 1 207 207 GLN CG C 13 33.408 0.000 . 1 . . . . . 200 GLN CG . 51211 1 1363 . 1 . 1 207 207 GLN CD C 13 180.189 0.016 . 1 . . . . . 200 GLN CD . 51211 1 1364 . 1 . 1 207 207 GLN N N 15 121.706 0.072 . 1 . . . . . 200 GLN N . 51211 1 1365 . 1 . 1 207 207 GLN NE2 N 15 110.721 0.200 . 1 . . . . . 200 GLN NE2 . 51211 1 1366 . 1 . 1 208 208 ARG H H 1 7.399 0.005 . 1 . . . . . 201 ARG H . 51211 1 1367 . 1 . 1 208 208 ARG C C 13 176.846 0.000 . 1 . . . . . 201 ARG C . 51211 1 1368 . 1 . 1 208 208 ARG CA C 13 56.730 0.105 . 1 . . . . . 201 ARG CA . 51211 1 1369 . 1 . 1 208 208 ARG CB C 13 29.745 0.100 . 1 . . . . . 201 ARG CB . 51211 1 1370 . 1 . 1 208 208 ARG CG C 13 26.467 0.000 . 1 . . . . . 201 ARG CG . 51211 1 1371 . 1 . 1 208 208 ARG CD C 13 40.513 0.000 . 1 . . . . . 201 ARG CD . 51211 1 1372 . 1 . 1 208 208 ARG N N 15 118.991 0.046 . 1 . . . . . 201 ARG N . 51211 1 1373 . 1 . 1 209 209 CYS H H 1 8.061 0.005 . 1 . . . . . 202 CYS H . 51211 1 1374 . 1 . 1 209 209 CYS C C 13 175.499 0.000 . 1 . . . . . 202 CYS C . 51211 1 1375 . 1 . 1 209 209 CYS CA C 13 59.248 0.041 . 1 . . . . . 202 CYS CA . 51211 1 1376 . 1 . 1 209 209 CYS CB C 13 27.107 0.018 . 1 . . . . . 202 CYS CB . 51211 1 1377 . 1 . 1 209 209 CYS N N 15 119.229 0.044 . 1 . . . . . 202 CYS N . 51211 1 1378 . 1 . 1 210 210 GLY H H 1 8.380 0.006 . 1 . . . . . 203 GLY H . 51211 1 1379 . 1 . 1 210 210 GLY C C 13 174.343 0.000 . 1 . . . . . 203 GLY C . 51211 1 1380 . 1 . 1 210 210 GLY CA C 13 45.213 0.049 . 1 . . . . . 203 GLY CA . 51211 1 1381 . 1 . 1 210 210 GLY N N 15 110.688 0.025 . 1 . . . . . 203 GLY N . 51211 1 1382 . 1 . 1 211 211 SER H H 1 8.169 0.004 . 1 . . . . . 204 SER H . 51211 1 1383 . 1 . 1 211 211 SER C C 13 174.694 0.000 . 1 . . . . . 204 SER C . 51211 1 1384 . 1 . 1 211 211 SER CA C 13 58.158 0.058 . 1 . . . . . 204 SER CA . 51211 1 1385 . 1 . 1 211 211 SER CB C 13 63.285 0.051 . 1 . . . . . 204 SER CB . 51211 1 1386 . 1 . 1 211 211 SER N N 15 115.633 0.053 . 1 . . . . . 204 SER N . 51211 1 1387 . 1 . 1 212 212 THR H H 1 8.071 0.004 . 1 . . . . . 205 THR H . 51211 1 1388 . 1 . 1 212 212 THR HG21 H 1 1.188 0.007 . 1 . . . . . 205 THR MG . 51211 1 1389 . 1 . 1 212 212 THR HG22 H 1 1.188 0.007 . 1 . . . . . 205 THR MG . 51211 1 1390 . 1 . 1 212 212 THR HG23 H 1 1.188 0.007 . 1 . . . . . 205 THR MG . 51211 1 1391 . 1 . 1 212 212 THR C C 13 174.135 0.000 . 1 . . . . . 205 THR C . 51211 1 1392 . 1 . 1 212 212 THR CA C 13 61.492 0.062 . 1 . . . . . 205 THR CA . 51211 1 1393 . 1 . 1 212 212 THR CB C 13 69.281 0.017 . 1 . . . . . 205 THR CB . 51211 1 1394 . 1 . 1 212 212 THR N N 15 114.984 0.086 . 1 . . . . . 205 THR N . 51211 1 1395 . 1 . 1 213 213 ALA H H 1 8.221 0.002 . 1 . . . . . 206 ALA H . 51211 1 1396 . 1 . 1 213 213 ALA HB1 H 1 1.358 0.009 . 1 . . . . . 206 ALA MB . 51211 1 1397 . 1 . 1 213 213 ALA HB2 H 1 1.358 0.009 . 1 . . . . . 206 ALA MB . 51211 1 1398 . 1 . 1 213 213 ALA HB3 H 1 1.358 0.009 . 1 . . . . . 206 ALA MB . 51211 1 1399 . 1 . 1 213 213 ALA C C 13 177.705 0.000 . 1 . . . . . 206 ALA C . 51211 1 1400 . 1 . 1 213 213 ALA CA C 13 52.274 0.051 . 1 . . . . . 206 ALA CA . 51211 1 1401 . 1 . 1 213 213 ALA CB C 13 18.292 0.017 . 1 . . . . . 206 ALA CB . 51211 1 1402 . 1 . 1 213 213 ALA N N 15 125.912 0.025 . 1 . . . . . 206 ALA N . 51211 1 1403 . 1 . 1 214 214 VAL H H 1 8.018 0.005 . 1 . . . . . 207 VAL H . 51211 1 1404 . 1 . 1 214 214 VAL HG11 H 1 0.862 0.009 . 2 . . . . . 207 VAL MG1 . 51211 1 1405 . 1 . 1 214 214 VAL HG12 H 1 0.862 0.009 . 2 . . . . . 207 VAL MG1 . 51211 1 1406 . 1 . 1 214 214 VAL HG13 H 1 0.862 0.009 . 2 . . . . . 207 VAL MG1 . 51211 1 1407 . 1 . 1 214 214 VAL HG21 H 1 0.608 0.014 . 2 . . . . . 207 VAL MG2 . 51211 1 1408 . 1 . 1 214 214 VAL HG22 H 1 0.608 0.014 . 2 . . . . . 207 VAL MG2 . 51211 1 1409 . 1 . 1 214 214 VAL HG23 H 1 0.608 0.014 . 2 . . . . . 207 VAL MG2 . 51211 1 1410 . 1 . 1 214 214 VAL C C 13 175.842 0.000 . 1 . . . . . 207 VAL C . 51211 1 1411 . 1 . 1 214 214 VAL CA C 13 62.017 0.257 . 1 . . . . . 207 VAL CA . 51211 1 1412 . 1 . 1 214 214 VAL CB C 13 31.761 0.019 . 1 . . . . . 207 VAL CB . 51211 1 1413 . 1 . 1 214 214 VAL CG1 C 13 25.729 0.145 . 2 . . . . . 207 VAL CG1 . 51211 1 1414 . 1 . 1 214 214 VAL CG2 C 13 23.534 0.023 . 2 . . . . . 207 VAL CG2 . 51211 1 1415 . 1 . 1 214 214 VAL N N 15 118.873 0.050 . 1 . . . . . 207 VAL N . 51211 1 1416 . 1 . 1 215 215 ASP H H 1 8.293 0.004 . 1 . . . . . 208 ASP H . 51211 1 1417 . 1 . 1 215 215 ASP C C 13 176.703 0.000 . 1 . . . . . 208 ASP C . 51211 1 1418 . 1 . 1 215 215 ASP CA C 13 53.930 0.020 . 1 . . . . . 208 ASP CA . 51211 1 1419 . 1 . 1 215 215 ASP CB C 13 40.554 0.024 . 1 . . . . . 208 ASP CB . 51211 1 1420 . 1 . 1 215 215 ASP N N 15 123.217 0.027 . 1 . . . . . 208 ASP N . 51211 1 1421 . 1 . 1 216 216 VAL H H 1 8.093 0.004 . 1 . . . . . 209 VAL H . 51211 1 1422 . 1 . 1 216 216 VAL HG11 H 1 0.930 0.027 . 2 . . . . . 209 VAL MG1 . 51211 1 1423 . 1 . 1 216 216 VAL HG12 H 1 0.930 0.027 . 2 . . . . . 209 VAL MG1 . 51211 1 1424 . 1 . 1 216 216 VAL HG13 H 1 0.930 0.027 . 2 . . . . . 209 VAL MG1 . 51211 1 1425 . 1 . 1 216 216 VAL HG21 H 1 0.930 0.027 . 2 . . . . . 209 VAL MG2 . 51211 1 1426 . 1 . 1 216 216 VAL HG22 H 1 0.930 0.027 . 2 . . . . . 209 VAL MG2 . 51211 1 1427 . 1 . 1 216 216 VAL HG23 H 1 0.930 0.027 . 2 . . . . . 209 VAL MG2 . 51211 1 1428 . 1 . 1 216 216 VAL C C 13 176.880 0.000 . 1 . . . . . 209 VAL C . 51211 1 1429 . 1 . 1 216 216 VAL CA C 13 62.867 0.092 . 1 . . . . . 209 VAL CA . 51211 1 1430 . 1 . 1 216 216 VAL CB C 13 31.163 0.023 . 1 . . . . . 209 VAL CB . 51211 1 1431 . 1 . 1 216 216 VAL CG1 C 13 21.144 0.031 . 2 . . . . . 209 VAL CG1 . 51211 1 1432 . 1 . 1 216 216 VAL CG2 C 13 21.144 0.031 . 2 . . . . . 209 VAL CG2 . 51211 1 1433 . 1 . 1 216 216 VAL N N 15 120.052 0.069 . 1 . . . . . 209 VAL N . 51211 1 1434 . 1 . 1 217 217 SER H H 1 8.364 0.006 . 1 . . . . . 210 SER H . 51211 1 1435 . 1 . 1 217 217 SER C C 13 174.892 0.000 . 1 . . . . . 210 SER C . 51211 1 1436 . 1 . 1 217 217 SER CA C 13 58.750 0.021 . 1 . . . . . 210 SER CA . 51211 1 1437 . 1 . 1 217 217 SER CB C 13 63.059 0.110 . 1 . . . . . 210 SER CB . 51211 1 1438 . 1 . 1 217 217 SER N N 15 117.461 0.027 . 1 . . . . . 210 SER N . 51211 1 1439 . 1 . 1 218 218 GLY H H 1 8.042 0.003 . 1 . . . . . 211 GLY H . 51211 1 1440 . 1 . 1 218 218 GLY C C 13 172.977 0.000 . 1 . . . . . 211 GLY C . 51211 1 1441 . 1 . 1 218 218 GLY CA C 13 44.131 0.027 . 1 . . . . . 211 GLY CA . 51211 1 1442 . 1 . 1 218 218 GLY N N 15 110.421 0.057 . 1 . . . . . 211 GLY N . 51211 1 1443 . 1 . 1 219 219 ASP H H 1 8.113 0.005 . 1 . . . . . 212 ASP H . 51211 1 1444 . 1 . 1 219 219 ASP CA C 13 51.026 0.000 . 1 . . . . . 212 ASP CA . 51211 1 1445 . 1 . 1 219 219 ASP CB C 13 41.145 0.000 . 1 . . . . . 212 ASP CB . 51211 1 1446 . 1 . 1 219 219 ASP N N 15 122.864 0.072 . 1 . . . . . 212 ASP N . 51211 1 1447 . 1 . 1 220 220 PRO C C 13 175.988 0.000 . 1 . . . . . 213 PRO C . 51211 1 1448 . 1 . 1 220 220 PRO CA C 13 62.919 0.005 . 1 . . . . . 213 PRO CA . 51211 1 1449 . 1 . 1 220 220 PRO CB C 13 31.160 0.010 . 1 . . . . . 213 PRO CB . 51211 1 1450 . 1 . 1 221 221 PHE H H 1 8.350 0.005 . 1 . . . . . 214 PHE H . 51211 1 1451 . 1 . 1 221 221 PHE C C 13 175.836 0.000 . 1 . . . . . 214 PHE C . 51211 1 1452 . 1 . 1 221 221 PHE CA C 13 59.638 0.114 . 1 . . . . . 214 PHE CA . 51211 1 1453 . 1 . 1 221 221 PHE CB C 13 38.809 0.003 . 1 . . . . . 214 PHE CB . 51211 1 1454 . 1 . 1 221 221 PHE N N 15 124.930 0.042 . 1 . . . . . 214 PHE N . 51211 1 1455 . 1 . 1 222 222 ARG H H 1 7.860 0.005 . 1 . . . . . 215 ARG H . 51211 1 1456 . 1 . 1 222 222 ARG CA C 13 55.253 0.000 . 1 . . . . . 215 ARG CA . 51211 1 1457 . 1 . 1 222 222 ARG CB C 13 29.996 0.000 . 1 . . . . . 215 ARG CB . 51211 1 1458 . 1 . 1 222 222 ARG N N 15 127.687 0.068 . 1 . . . . . 215 ARG N . 51211 1 1459 . 1 . 1 223 223 SER C C 13 174.986 0.000 . 1 . . . . . 216 SER C . 51211 1 1460 . 1 . 1 223 223 SER CA C 13 57.520 0.005 . 1 . . . . . 216 SER CA . 51211 1 1461 . 1 . 1 223 223 SER CB C 13 62.820 0.025 . 1 . . . . . 216 SER CB . 51211 1 1462 . 1 . 1 224 224 ASP H H 1 8.621 0.007 . 1 . . . . . 217 ASP H . 51211 1 1463 . 1 . 1 224 224 ASP C C 13 177.019 0.000 . 1 . . . . . 217 ASP C . 51211 1 1464 . 1 . 1 224 224 ASP CA C 13 54.189 0.028 . 1 . . . . . 217 ASP CA . 51211 1 1465 . 1 . 1 224 224 ASP CB C 13 40.711 0.071 . 1 . . . . . 217 ASP CB . 51211 1 1466 . 1 . 1 224 224 ASP N N 15 125.296 0.120 . 1 . . . . . 217 ASP N . 51211 1 1467 . 1 . 1 225 225 SER H H 1 8.343 0.008 . 1 . . . . . 218 SER H . 51211 1 1468 . 1 . 1 225 225 SER C C 13 174.033 0.000 . 1 . . . . . 218 SER C . 51211 1 1469 . 1 . 1 225 225 SER CA C 13 58.385 0.110 . 1 . . . . . 218 SER CA . 51211 1 1470 . 1 . 1 225 225 SER CB C 13 62.935 0.063 . 1 . . . . . 218 SER CB . 51211 1 1471 . 1 . 1 225 225 SER N N 15 115.084 0.041 . 1 . . . . . 218 SER N . 51211 1 1472 . 1 . 1 226 226 TYR H H 1 8.344 0.010 . 1 . . . . . 219 TYR H . 51211 1 1473 . 1 . 1 226 226 TYR C C 13 175.362 0.000 . 1 . . . . . 219 TYR C . 51211 1 1474 . 1 . 1 226 226 TYR CA C 13 58.316 0.042 . 1 . . . . . 219 TYR CA . 51211 1 1475 . 1 . 1 226 226 TYR CB C 13 38.115 0.005 . 1 . . . . . 219 TYR CB . 51211 1 1476 . 1 . 1 226 226 TYR N N 15 121.884 0.052 . 1 . . . . . 219 TYR N . 51211 1 1477 . 1 . 1 227 227 GLY H H 1 7.889 0.004 . 1 . . . . . 220 GLY H . 51211 1 1478 . 1 . 1 227 227 GLY C C 13 172.473 0.000 . 1 . . . . . 220 GLY C . 51211 1 1479 . 1 . 1 227 227 GLY CA C 13 44.743 0.115 . 1 . . . . . 220 GLY CA . 51211 1 1480 . 1 . 1 227 227 GLY N N 15 110.802 0.036 . 1 . . . . . 220 GLY N . 51211 1 1481 . 1 . 1 228 228 LEU H H 1 7.529 0.003 . 1 . . . . . 221 LEU H . 51211 1 1482 . 1 . 1 228 228 LEU HD11 H 1 0.850 0.000 . 2 . . . . . 221 LEU MD1 . 51211 1 1483 . 1 . 1 228 228 LEU HD12 H 1 0.850 0.000 . 2 . . . . . 221 LEU MD1 . 51211 1 1484 . 1 . 1 228 228 LEU HD13 H 1 0.850 0.000 . 2 . . . . . 221 LEU MD1 . 51211 1 1485 . 1 . 1 228 228 LEU HD21 H 1 0.850 0.000 . 2 . . . . . 221 LEU MD2 . 51211 1 1486 . 1 . 1 228 228 LEU HD22 H 1 0.850 0.000 . 2 . . . . . 221 LEU MD2 . 51211 1 1487 . 1 . 1 228 228 LEU HD23 H 1 0.850 0.000 . 2 . . . . . 221 LEU MD2 . 51211 1 1488 . 1 . 1 228 228 LEU CA C 13 55.885 0.000 . 1 . . . . . 221 LEU CA . 51211 1 1489 . 1 . 1 228 228 LEU CB C 13 42.829 0.000 . 1 . . . . . 221 LEU CB . 51211 1 1490 . 1 . 1 228 228 LEU N N 15 126.269 0.060 . 1 . . . . . 221 LEU N . 51211 1 stop_ save_