data_25193 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 25193 _Entry.Title ; NMR resonance assignment of the lantibiotic immunity protein NisI ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2014-09-02 _Entry.Accession_date 2014-09-02 _Entry.Last_release_date 2015-04-27 _Entry.Original_release_date 2015-04-27 _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.81 _Entry.Original_NMR_STAR_version 3.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype SOLUTION _Entry.Details . _Entry.BMRB_internal_directory_name . loop_ _Entry_author.Ordinal _Entry_author.Given_name _Entry_author.Family_name _Entry_author.First_initial _Entry_author.Middle_initials _Entry_author.Family_title _Entry_author.Entry_ID 1 Carolin Hacker . . . 25193 2 'Nina Alexandra' Christ . . . 25193 3 Elke Duchardt-Ferner . . . 25193 4 Lucija Bernigner . . . 25193 5 Peter Koetter . . . 25193 6 Karl-Dieter Entian . . . 25193 7 Jens Woehnert . . . 25193 stop_ loop_ _SG_project.SG_project_ID _SG_project.Project_name _SG_project.Full_name_of_center _SG_project.Initial_of_center _SG_project.Entry_ID 1 'not applicable' 'not applicable' . 25193 stop_ loop_ _Struct_keywords.Keywords _Struct_keywords.Text _Struct_keywords.Entry_ID LanI . 25193 SpaI . 25193 'lantibiotic self-immunity protein' . 25193 subtilin . 25193 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 25193 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 641 25193 '15N chemical shifts' 217 25193 '1H chemical shifts' 217 25193 stop_ loop_ _Release.Release_number _Release.Format_type _Release.Format_version _Release.Date _Release.Submission_date _Release.Type _Release.Author _Release.Detail _Release.Entry_ID 2 . . 2015-10-01 2014-09-02 original BMRB 'update entry citation' 25193 1 . . 2015-04-27 2014-09-02 original BMRB 'original release' 25193 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID BMRB 25175 'N-terminal domain of the lantibiotic immunity protein NisI' 25193 BMRB 25194 'C-terminal domain of the lantibiotic immunity protein NisI' 25193 stop_ save_ ############### # Citations # ############### save_citation _Citation.Sf_category citations _Citation.Sf_framecode citation _Citation.Entry_ID 25193 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 25613223 _Citation.Full_citation . _Citation.Title ; NMR resonance assignments of the lantibiotic immunity protein NisI from Lactococcus lactis ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'Biomol NMR Assign.' _Citation.Journal_name_full . _Citation.Journal_volume 9 _Citation.Journal_issue 2 _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 293 _Citation.Page_last 297 _Citation.Year 2015 _Citation.Details . loop_ _Citation_author.Ordinal _Citation_author.Given_name _Citation_author.Family_name _Citation_author.First_initial _Citation_author.Middle_initials _Citation_author.Family_title _Citation_author.Entry_ID _Citation_author.Citation_ID 1 Carolin Hacker . . . 25193 1 2 'Nina Alexandra' Christ . . . 25193 1 3 Elke Duchardt-Ferner . . . 25193 1 4 Lucija Bernigner . . . 25193 1 5 Peter Koetter . . . 25193 1 6 Karl-Dieter Entian . . . 25193 1 7 Jens Woehnert . . . 25193 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 25193 _Assembly.ID 1 _Assembly.Name NisI _Assembly.BMRB_code . _Assembly.Number_of_components 1 _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds . _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state . _Assembly.Molecular_mass . _Assembly.Enzyme_commission_number . _Assembly.Details . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Entity_assembly.ID _Entity_assembly.Entity_assembly_name _Entity_assembly.Entity_ID _Entity_assembly.Entity_label _Entity_assembly.Asym_ID _Entity_assembly.PDB_chain_ID _Entity_assembly.Experimental_data_reported _Entity_assembly.Physical_state _Entity_assembly.Conformational_isomer _Entity_assembly.Chemical_exchange_state _Entity_assembly.Magnetic_equivalence_group_code _Entity_assembly.Role _Entity_assembly.Details _Entity_assembly.Entry_ID _Entity_assembly.Assembly_ID 1 NisI 1 $NisI A . yes native no no . . . 25193 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_NisI _Entity.Sf_category entity _Entity.Sf_framecode NisI _Entity.Entry_ID 25193 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name NisI _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID A _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; GSYQTSHKKVRFDEGSYTNF IYDNKSYFVTDKEIPQENVN NSKVKFYKLLIVDMKSEKLL SSSNKNSVTLVLNNIYEASD KSLCMGINDRYYKILPESDK GAVKALRLQNFDVTSDISDD NFVIDKNDSRKIDYMGNIYS ISDTTVSDEELGEYQDVLAE VRVFDSVSGKSIPRSEWGRI DKDGSNSKQSRTEWDYGEIH SIRGKSLTEAFAVEINDDFK LATKVGN ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq G0-N226 _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states no _Entity.Ambiguous_chem_comp_sites no _Entity.Nstd_monomer no _Entity.Nstd_chirality no _Entity.Nstd_linkage no _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 227 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state unknown _Entity.Src_method man _Entity.Parent_entity_ID . _Entity.Fragment NisI2-226 _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 25836.6 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date 2015-11-25 loop_ _Entity_db_link.Ordinal _Entity_db_link.Author_supplied _Entity_db_link.Database_code _Entity_db_link.Accession_code _Entity_db_link.Entry_mol_code _Entity_db_link.Entry_mol_name _Entity_db_link.Entry_experimental_method _Entity_db_link.Entry_structure_resolution _Entity_db_link.Entry_relation_type _Entity_db_link.Entry_details _Entity_db_link.Chimera_segment_ID _Entity_db_link.Seq_query_to_submitted_percent _Entity_db_link.Seq_subject_length _Entity_db_link.Seq_identity _Entity_db_link.Seq_positive _Entity_db_link.Seq_homology_expectation_val _Entity_db_link.Seq_align_begin _Entity_db_link.Seq_align_end _Entity_db_link.Seq_difference_details _Entity_db_link.Seq_alignment_details _Entity_db_link.Entry_ID _Entity_db_link.Entity_ID 1 no BMRB 25194 . NisI . . . . . 57.27 130 100.00 100.00 2.31e-85 . . . . 25193 1 2 no DBJ BAL50562 . "encodes a protein involved in immunity against nisin [Lactococcus lactis subsp. lactis IO-1]" . . . . . 100.00 245 99.12 99.12 1.30e-159 . . . . 25193 1 3 no EMBL CAA54209 . "nisI [Lactococcus lactis]" . . . . . 100.00 245 99.56 99.56 4.65e-160 . . . . 25193 1 4 no EMBL CAA79465 . "NisI protein [Lactococcus lactis]" . . . . . 100.00 245 97.80 97.80 6.07e-157 . . . . 25193 1 5 no GB AAA25193 . "encodes a protein involved in immunity against nisin [Lactococcus lactis]" . . . . . 100.00 245 99.56 99.56 4.65e-160 . . . . 25193 1 6 no GB AAQ89591 . "nisin immunity protein [Lactococcus lactis subsp. lactis]" . . . . . 100.00 245 99.56 99.56 4.08e-160 . . . . 25193 1 7 no GB AAQ89592 . "nisin immunity protein [Lactococcus lactis subsp. lactis]" . . . . . 100.00 245 99.56 99.56 4.08e-160 . . . . 25193 1 8 no GB ACM62695 . "nisI [Shuttle vector pMSP3535H3]" . . . . . 100.00 245 97.80 97.80 6.07e-157 . . . . 25193 1 9 no GB ADJ56356 . "NisI [Lactococcus lactis subsp. lactis]" . . . . . 100.00 245 99.56 99.56 4.65e-160 . . . . 25193 1 10 no REF WP_014570409 . "nisin immunity protein [Lactococcus lactis]" . . . . . 100.00 245 99.56 99.56 4.65e-160 . . . . 25193 1 11 no REF WP_015425983 . "encodes a protein involved in immunity against nisin [Lactococcus lactis]" . . . . . 100.00 245 99.12 99.12 1.30e-159 . . . . 25193 1 12 no REF WP_017864237 . "Nisin immunity protein [Lactococcus lactis]" . . . . . 100.00 245 97.80 97.80 6.07e-157 . . . . 25193 1 13 no REF WP_039114828 . "immunity protein [Lactococcus lactis]" . . . . . 100.00 245 98.24 98.68 1.90e-158 . . . . 25193 1 14 no REF WP_042748180 . "immunity protein [Lactococcus lactis]" . . . . . 100.00 245 97.80 98.68 9.06e-158 . . . . 25193 1 15 no SP P42708 . "RecName: Full=Nisin immunity protein; Flags: Precursor [Lactococcus lactis subsp. lactis]" . . . . . 100.00 245 99.56 99.56 4.65e-160 . . . . 25193 1 stop_ loop_ _Entity_comp_index.ID _Entity_comp_index.Auth_seq_ID _Entity_comp_index.Comp_ID _Entity_comp_index.Comp_label _Entity_comp_index.Entry_ID _Entity_comp_index.Entity_ID 1 0 GLY . 25193 1 2 1 SER . 25193 1 3 2 TYR . 25193 1 4 3 GLN . 25193 1 5 4 THR . 25193 1 6 5 SER . 25193 1 7 6 HIS . 25193 1 8 7 LYS . 25193 1 9 8 LYS . 25193 1 10 9 VAL . 25193 1 11 10 ARG . 25193 1 12 11 PHE . 25193 1 13 12 ASP . 25193 1 14 13 GLU . 25193 1 15 14 GLY . 25193 1 16 15 SER . 25193 1 17 16 TYR . 25193 1 18 17 THR . 25193 1 19 18 ASN . 25193 1 20 19 PHE . 25193 1 21 20 ILE . 25193 1 22 21 TYR . 25193 1 23 22 ASP . 25193 1 24 23 ASN . 25193 1 25 24 LYS . 25193 1 26 25 SER . 25193 1 27 26 TYR . 25193 1 28 27 PHE . 25193 1 29 28 VAL . 25193 1 30 29 THR . 25193 1 31 30 ASP . 25193 1 32 31 LYS . 25193 1 33 32 GLU . 25193 1 34 33 ILE . 25193 1 35 34 PRO . 25193 1 36 35 GLN . 25193 1 37 36 GLU . 25193 1 38 37 ASN . 25193 1 39 38 VAL . 25193 1 40 39 ASN . 25193 1 41 40 ASN . 25193 1 42 41 SER . 25193 1 43 42 LYS . 25193 1 44 43 VAL . 25193 1 45 44 LYS . 25193 1 46 45 PHE . 25193 1 47 46 TYR . 25193 1 48 47 LYS . 25193 1 49 48 LEU . 25193 1 50 49 LEU . 25193 1 51 50 ILE . 25193 1 52 51 VAL . 25193 1 53 52 ASP . 25193 1 54 53 MET . 25193 1 55 54 LYS . 25193 1 56 55 SER . 25193 1 57 56 GLU . 25193 1 58 57 LYS . 25193 1 59 58 LEU . 25193 1 60 59 LEU . 25193 1 61 60 SER . 25193 1 62 61 SER . 25193 1 63 62 SER . 25193 1 64 63 ASN . 25193 1 65 64 LYS . 25193 1 66 65 ASN . 25193 1 67 66 SER . 25193 1 68 67 VAL . 25193 1 69 68 THR . 25193 1 70 69 LEU . 25193 1 71 70 VAL . 25193 1 72 71 LEU . 25193 1 73 72 ASN . 25193 1 74 73 ASN . 25193 1 75 74 ILE . 25193 1 76 75 TYR . 25193 1 77 76 GLU . 25193 1 78 77 ALA . 25193 1 79 78 SER . 25193 1 80 79 ASP . 25193 1 81 80 LYS . 25193 1 82 81 SER . 25193 1 83 82 LEU . 25193 1 84 83 CYS . 25193 1 85 84 MET . 25193 1 86 85 GLY . 25193 1 87 86 ILE . 25193 1 88 87 ASN . 25193 1 89 88 ASP . 25193 1 90 89 ARG . 25193 1 91 90 TYR . 25193 1 92 91 TYR . 25193 1 93 92 LYS . 25193 1 94 93 ILE . 25193 1 95 94 LEU . 25193 1 96 95 PRO . 25193 1 97 96 GLU . 25193 1 98 97 SER . 25193 1 99 98 ASP . 25193 1 100 99 LYS . 25193 1 101 100 GLY . 25193 1 102 101 ALA . 25193 1 103 102 VAL . 25193 1 104 103 LYS . 25193 1 105 104 ALA . 25193 1 106 105 LEU . 25193 1 107 106 ARG . 25193 1 108 107 LEU . 25193 1 109 108 GLN . 25193 1 110 109 ASN . 25193 1 111 110 PHE . 25193 1 112 111 ASP . 25193 1 113 112 VAL . 25193 1 114 113 THR . 25193 1 115 114 SER . 25193 1 116 115 ASP . 25193 1 117 116 ILE . 25193 1 118 117 SER . 25193 1 119 118 ASP . 25193 1 120 119 ASP . 25193 1 121 120 ASN . 25193 1 122 121 PHE . 25193 1 123 122 VAL . 25193 1 124 123 ILE . 25193 1 125 124 ASP . 25193 1 126 125 LYS . 25193 1 127 126 ASN . 25193 1 128 127 ASP . 25193 1 129 128 SER . 25193 1 130 129 ARG . 25193 1 131 130 LYS . 25193 1 132 131 ILE . 25193 1 133 132 ASP . 25193 1 134 133 TYR . 25193 1 135 134 MET . 25193 1 136 135 GLY . 25193 1 137 136 ASN . 25193 1 138 137 ILE . 25193 1 139 138 TYR . 25193 1 140 139 SER . 25193 1 141 140 ILE . 25193 1 142 141 SER . 25193 1 143 142 ASP . 25193 1 144 143 THR . 25193 1 145 144 THR . 25193 1 146 145 VAL . 25193 1 147 146 SER . 25193 1 148 147 ASP . 25193 1 149 148 GLU . 25193 1 150 149 GLU . 25193 1 151 150 LEU . 25193 1 152 151 GLY . 25193 1 153 152 GLU . 25193 1 154 153 TYR . 25193 1 155 154 GLN . 25193 1 156 155 ASP . 25193 1 157 156 VAL . 25193 1 158 157 LEU . 25193 1 159 158 ALA . 25193 1 160 159 GLU . 25193 1 161 160 VAL . 25193 1 162 161 ARG . 25193 1 163 162 VAL . 25193 1 164 163 PHE . 25193 1 165 164 ASP . 25193 1 166 165 SER . 25193 1 167 166 VAL . 25193 1 168 167 SER . 25193 1 169 168 GLY . 25193 1 170 169 LYS . 25193 1 171 170 SER . 25193 1 172 171 ILE . 25193 1 173 172 PRO . 25193 1 174 173 ARG . 25193 1 175 174 SER . 25193 1 176 175 GLU . 25193 1 177 176 TRP . 25193 1 178 177 GLY . 25193 1 179 178 ARG . 25193 1 180 179 ILE . 25193 1 181 180 ASP . 25193 1 182 181 LYS . 25193 1 183 182 ASP . 25193 1 184 183 GLY . 25193 1 185 184 SER . 25193 1 186 185 ASN . 25193 1 187 186 SER . 25193 1 188 187 LYS . 25193 1 189 188 GLN . 25193 1 190 189 SER . 25193 1 191 190 ARG . 25193 1 192 191 THR . 25193 1 193 192 GLU . 25193 1 194 193 TRP . 25193 1 195 194 ASP . 25193 1 196 195 TYR . 25193 1 197 196 GLY . 25193 1 198 197 GLU . 25193 1 199 198 ILE . 25193 1 200 199 HIS . 25193 1 201 200 SER . 25193 1 202 201 ILE . 25193 1 203 202 ARG . 25193 1 204 203 GLY . 25193 1 205 204 LYS . 25193 1 206 205 SER . 25193 1 207 206 LEU . 25193 1 208 207 THR . 25193 1 209 208 GLU . 25193 1 210 209 ALA . 25193 1 211 210 PHE . 25193 1 212 211 ALA . 25193 1 213 212 VAL . 25193 1 214 213 GLU . 25193 1 215 214 ILE . 25193 1 216 215 ASN . 25193 1 217 216 ASP . 25193 1 218 217 ASP . 25193 1 219 218 PHE . 25193 1 220 219 LYS . 25193 1 221 220 LEU . 25193 1 222 221 ALA . 25193 1 223 222 THR . 25193 1 224 223 LYS . 25193 1 225 224 VAL . 25193 1 226 225 GLY . 25193 1 227 226 ASN . 25193 1 stop_ loop_ _Entity_poly_seq.Hetero _Entity_poly_seq.Mon_ID _Entity_poly_seq.Num _Entity_poly_seq.Comp_index_ID _Entity_poly_seq.Entry_ID _Entity_poly_seq.Entity_ID . GLY 1 1 25193 1 . SER 2 2 25193 1 . TYR 3 3 25193 1 . GLN 4 4 25193 1 . THR 5 5 25193 1 . SER 6 6 25193 1 . HIS 7 7 25193 1 . LYS 8 8 25193 1 . LYS 9 9 25193 1 . VAL 10 10 25193 1 . ARG 11 11 25193 1 . PHE 12 12 25193 1 . ASP 13 13 25193 1 . GLU 14 14 25193 1 . GLY 15 15 25193 1 . SER 16 16 25193 1 . TYR 17 17 25193 1 . THR 18 18 25193 1 . ASN 19 19 25193 1 . PHE 20 20 25193 1 . ILE 21 21 25193 1 . TYR 22 22 25193 1 . ASP 23 23 25193 1 . ASN 24 24 25193 1 . LYS 25 25 25193 1 . SER 26 26 25193 1 . TYR 27 27 25193 1 . PHE 28 28 25193 1 . VAL 29 29 25193 1 . THR 30 30 25193 1 . ASP 31 31 25193 1 . LYS 32 32 25193 1 . GLU 33 33 25193 1 . ILE 34 34 25193 1 . PRO 35 35 25193 1 . GLN 36 36 25193 1 . GLU 37 37 25193 1 . ASN 38 38 25193 1 . VAL 39 39 25193 1 . ASN 40 40 25193 1 . ASN 41 41 25193 1 . SER 42 42 25193 1 . LYS 43 43 25193 1 . VAL 44 44 25193 1 . LYS 45 45 25193 1 . PHE 46 46 25193 1 . TYR 47 47 25193 1 . LYS 48 48 25193 1 . LEU 49 49 25193 1 . LEU 50 50 25193 1 . ILE 51 51 25193 1 . VAL 52 52 25193 1 . ASP 53 53 25193 1 . MET 54 54 25193 1 . LYS 55 55 25193 1 . SER 56 56 25193 1 . GLU 57 57 25193 1 . LYS 58 58 25193 1 . LEU 59 59 25193 1 . LEU 60 60 25193 1 . SER 61 61 25193 1 . SER 62 62 25193 1 . SER 63 63 25193 1 . ASN 64 64 25193 1 . LYS 65 65 25193 1 . ASN 66 66 25193 1 . SER 67 67 25193 1 . VAL 68 68 25193 1 . THR 69 69 25193 1 . LEU 70 70 25193 1 . VAL 71 71 25193 1 . LEU 72 72 25193 1 . ASN 73 73 25193 1 . ASN 74 74 25193 1 . ILE 75 75 25193 1 . TYR 76 76 25193 1 . GLU 77 77 25193 1 . ALA 78 78 25193 1 . SER 79 79 25193 1 . ASP 80 80 25193 1 . LYS 81 81 25193 1 . SER 82 82 25193 1 . LEU 83 83 25193 1 . CYS 84 84 25193 1 . MET 85 85 25193 1 . GLY 86 86 25193 1 . ILE 87 87 25193 1 . ASN 88 88 25193 1 . ASP 89 89 25193 1 . ARG 90 90 25193 1 . TYR 91 91 25193 1 . TYR 92 92 25193 1 . LYS 93 93 25193 1 . ILE 94 94 25193 1 . LEU 95 95 25193 1 . PRO 96 96 25193 1 . GLU 97 97 25193 1 . SER 98 98 25193 1 . ASP 99 99 25193 1 . LYS 100 100 25193 1 . GLY 101 101 25193 1 . ALA 102 102 25193 1 . VAL 103 103 25193 1 . LYS 104 104 25193 1 . ALA 105 105 25193 1 . LEU 106 106 25193 1 . ARG 107 107 25193 1 . LEU 108 108 25193 1 . GLN 109 109 25193 1 . ASN 110 110 25193 1 . PHE 111 111 25193 1 . ASP 112 112 25193 1 . VAL 113 113 25193 1 . THR 114 114 25193 1 . SER 115 115 25193 1 . ASP 116 116 25193 1 . ILE 117 117 25193 1 . SER 118 118 25193 1 . ASP 119 119 25193 1 . ASP 120 120 25193 1 . ASN 121 121 25193 1 . PHE 122 122 25193 1 . VAL 123 123 25193 1 . ILE 124 124 25193 1 . ASP 125 125 25193 1 . LYS 126 126 25193 1 . ASN 127 127 25193 1 . ASP 128 128 25193 1 . SER 129 129 25193 1 . ARG 130 130 25193 1 . LYS 131 131 25193 1 . ILE 132 132 25193 1 . ASP 133 133 25193 1 . TYR 134 134 25193 1 . MET 135 135 25193 1 . GLY 136 136 25193 1 . ASN 137 137 25193 1 . ILE 138 138 25193 1 . TYR 139 139 25193 1 . SER 140 140 25193 1 . ILE 141 141 25193 1 . SER 142 142 25193 1 . ASP 143 143 25193 1 . THR 144 144 25193 1 . THR 145 145 25193 1 . VAL 146 146 25193 1 . SER 147 147 25193 1 . ASP 148 148 25193 1 . GLU 149 149 25193 1 . GLU 150 150 25193 1 . LEU 151 151 25193 1 . GLY 152 152 25193 1 . GLU 153 153 25193 1 . TYR 154 154 25193 1 . GLN 155 155 25193 1 . ASP 156 156 25193 1 . VAL 157 157 25193 1 . LEU 158 158 25193 1 . ALA 159 159 25193 1 . GLU 160 160 25193 1 . VAL 161 161 25193 1 . ARG 162 162 25193 1 . VAL 163 163 25193 1 . PHE 164 164 25193 1 . ASP 165 165 25193 1 . SER 166 166 25193 1 . VAL 167 167 25193 1 . SER 168 168 25193 1 . GLY 169 169 25193 1 . LYS 170 170 25193 1 . SER 171 171 25193 1 . ILE 172 172 25193 1 . PRO 173 173 25193 1 . ARG 174 174 25193 1 . SER 175 175 25193 1 . GLU 176 176 25193 1 . TRP 177 177 25193 1 . GLY 178 178 25193 1 . ARG 179 179 25193 1 . ILE 180 180 25193 1 . ASP 181 181 25193 1 . LYS 182 182 25193 1 . ASP 183 183 25193 1 . GLY 184 184 25193 1 . SER 185 185 25193 1 . ASN 186 186 25193 1 . SER 187 187 25193 1 . LYS 188 188 25193 1 . GLN 189 189 25193 1 . SER 190 190 25193 1 . ARG 191 191 25193 1 . THR 192 192 25193 1 . GLU 193 193 25193 1 . TRP 194 194 25193 1 . ASP 195 195 25193 1 . TYR 196 196 25193 1 . GLY 197 197 25193 1 . GLU 198 198 25193 1 . ILE 199 199 25193 1 . HIS 200 200 25193 1 . SER 201 201 25193 1 . ILE 202 202 25193 1 . ARG 203 203 25193 1 . GLY 204 204 25193 1 . LYS 205 205 25193 1 . SER 206 206 25193 1 . LEU 207 207 25193 1 . THR 208 208 25193 1 . GLU 209 209 25193 1 . ALA 210 210 25193 1 . PHE 211 211 25193 1 . ALA 212 212 25193 1 . VAL 213 213 25193 1 . GLU 214 214 25193 1 . ILE 215 215 25193 1 . ASN 216 216 25193 1 . ASP 217 217 25193 1 . ASP 218 218 25193 1 . PHE 219 219 25193 1 . LYS 220 220 25193 1 . LEU 221 221 25193 1 . ALA 222 222 25193 1 . THR 223 223 25193 1 . LYS 224 224 25193 1 . VAL 225 225 25193 1 . GLY 226 226 25193 1 . ASN 227 227 25193 1 stop_ save_ #################### # Natural source # #################### save_natural_source _Entity_natural_src_list.Sf_category natural_source _Entity_natural_src_list.Sf_framecode natural_source _Entity_natural_src_list.Entry_ID 25193 _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 $NisI . 1358 organism . 'Lactococcus lactis' firmicutes . . Bacteria . Lactococcus lactis . . . . . . . . . . . . . 25193 1 stop_ save_ ######################### # Experimental source # ######################### save_experimental_source _Entity_experimental_src_list.Sf_category experimental_source _Entity_experimental_src_list.Sf_framecode experimental_source _Entity_experimental_src_list.Entry_ID 25193 _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 $NisI . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli . . . . . . pQE9-His6-TEV . . . 25193 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_15N _Sample.Sf_category sample _Sample.Sf_framecode 15N _Sample.Entry_ID 25193 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '90% H2O/10% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 'sodium phosphate' 'natural abundance' . . . . . . 50 . . mM . . . . 25193 1 2 'sodium chloride' 'natural abundance' . . . . . . 100 . . mM . . . . 25193 1 3 EDTA 'natural abundance' . . . . . . 200 . . uM . . . . 25193 1 4 DTT 'natural abundance' . . . . . . 1 . . mM . . . . 25193 1 5 DSS 'natural abundance' . . . . . . 30 . . uM . . . . 25193 1 6 NisI2-226 [U-15N] . . 1 $NisI . . 400 . . mM . . . . 25193 1 7 H2O 'natural abundance' . . . . . . 90 . . % . . . . 25193 1 8 D2O 'natural abundance' . . . . . . 10 . . % . . . . 25193 1 stop_ save_ save_2H15N13C _Sample.Sf_category sample _Sample.Sf_framecode 2H15N13C _Sample.Entry_ID 25193 _Sample.ID 2 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '90% H2O/10% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 'sodium phosphate' 'natural abundance' . . . . . . 50 . . mM . . . . 25193 2 2 'sodium chloride' 'natural abundance' . . . . . . 100 . . mM . . . . 25193 2 3 EDTA 'natural abundance' . . . . . . 200 . . uM . . . . 25193 2 4 DTT 'natural abundance' . . . . . . 1 . . mM . . . . 25193 2 5 DSS 'natural abundance' . . . . . . 30 . . uM . . . . 25193 2 6 NisI2-226 '[U-13C; U-15N; U-2H]' . . 1 $NisI . . 400 . . uM . . . . 25193 2 7 H2O 'natural abundance' . . . . . . 90 . . % . . . . 25193 2 8 D2O 'natural abundance' . . . . . . 10 . . % . . . . 25193 2 stop_ save_ save_13CTyr-15NLys _Sample.Sf_category sample _Sample.Sf_framecode 13CTyr-15NLys _Sample.Entry_ID 25193 _Sample.ID 3 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '90% H2O/10% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 'sodium phosphate' 'natural abundance' . . . . . . 50 . . mM . . . . 25193 3 2 'sodium chloride' 'natural abundance' . . . . . . 100 . . mM . . . . 25193 3 3 EDTA 'natural abundance' . . . . . . 200 . . uM . . . . 25193 3 4 DTT 'natural abundance' . . . . . . 1 . . mM . . . . 25193 3 5 DSS 'natural abundance' . . . . . . 30 . . uM . . . . 25193 3 6 NisI2-226 '[13C]-Tyr, [15N]-Lys' . . 1 $NisI . . 400 . . uM . . . . 25193 3 7 H2O 'natural abundance' . . . . . . 90 . . % . . . . 25193 3 8 D2O 'natural abundance' . . . . . . 10 . . % . . . . 25193 3 stop_ save_ save_13CThr-15NLys _Sample.Sf_category sample _Sample.Sf_framecode 13CThr-15NLys _Sample.Entry_ID 25193 _Sample.ID 4 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '90% H2O/10% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 'sodium phosphate' 'natural abundance' . . . . . . 50 . . mM . . . . 25193 4 2 'sodium chloride' 'natural abundance' . . . . . . 100 . . mM . . . . 25193 4 3 EDTA 'natural abundance' . . . . . . 200 . . uM . . . . 25193 4 4 DTT 'natural abundance' . . . . . . 1 . . mM . . . . 25193 4 5 DSS 'natural abundance' . . . . . . 30 . . uM . . . . 25193 4 6 NisI2-226 '[13C]-Thr, [15N]-Lys' . . 1 $NisI . . 400 . . uM . . . . 25193 4 7 H2O 'natural abundance' . . . . . . 90 . . % . . . . 25193 4 8 D2O 'natural abundance' . . . . . . 10 . . % . . . . 25193 4 stop_ save_ save_15NTyr _Sample.Sf_category sample _Sample.Sf_framecode 15NTyr _Sample.Entry_ID 25193 _Sample.ID 5 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '90% H2O/10% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 'sodium phosphate' 'natural abundance' . . . . . . 50 . . mM . . . . 25193 5 2 'sodium chloride' 'natural abundance' . . . . . . 100 . . mM . . . . 25193 5 3 EDTA 'natural abundance' . . . . . . 200 . . uM . . . . 25193 5 4 DTT 'natural abundance' . . . . . . 1 . . mM . . . . 25193 5 5 DSS 'natural abundance' . . . . . . 30 . . uM . . . . 25193 5 6 NisI2-226 [15N]-Tyr . . 1 $NisI . . 200 . . uM . . . . 25193 5 7 H2O 'natural abundance' . . . . . . 90 . . % . . . . 25193 5 8 D2O 'natural abundance' . . . . . . 10 . . % . . . . 25193 5 stop_ save_ save_13CHis-15NLys _Sample.Sf_category sample _Sample.Sf_framecode 13CHis-15NLys _Sample.Entry_ID 25193 _Sample.ID 6 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '90% H2O/10% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 'sodium phosphate' 'natural abundance' . . . . . . 50 . . mM . . . . 25193 6 2 'sodium chloride' 'natural abundance' . . . . . . 100 . . mM . . . . 25193 6 3 EDTA 'natural abundance' . . . . . . 200 . . uM . . . . 25193 6 4 DTT 'natural abundance' . . . . . . 1 . . mM . . . . 25193 6 5 DSS 'natural abundance' . . . . . . 30 . . uM . . . . 25193 6 6 NisI2-226 '[13C]-His, [15N]-Lys' . . 1 $NisI . . 300 . . uM . . . . 25193 6 7 H2O 'natural abundance' . . . . . . 90 . . % . . . . 25193 6 8 D2O 'natural abundance' . . . . . . 10 . . % . . . . 25193 6 stop_ save_ save_13CPRro-15NArg _Sample.Sf_category sample _Sample.Sf_framecode 13CPRro-15NArg _Sample.Entry_ID 25193 _Sample.ID 7 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '90% H2O/10% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 'sodium phosphate' 'natural abundance' . . . . . . 50 . . mM . . . . 25193 7 2 'sodium chloride' 'natural abundance' . . . . . . 100 . . mM . . . . 25193 7 3 EDTA 'natural abundance' . . . . . . 200 . . uM . . . . 25193 7 4 DTT 'natural abundance' . . . . . . 1 . . mM . . . . 25193 7 5 DSS 'natural abundance' . . . . . . 30 . . uM . . . . 25193 7 6 NisI2-226 '[13C]-Pro, [15N]-Arg' . . 1 $NisI . . 100 . . uM . . . . 25193 7 7 H2O 'natural abundance' . . . . . . 90 . . % . . . . 25193 7 8 D2O 'natural abundance' . . . . . . 10 . . % . . . . 25193 7 stop_ save_ save_15NPhe _Sample.Sf_category sample _Sample.Sf_framecode 15NPhe _Sample.Entry_ID 25193 _Sample.ID 8 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '90% H2O/10% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 'sodium phosphate' 'natural abundance' . . . . . . 50 . . mM . . . . 25193 8 2 'sodium chloride' 'natural abundance' . . . . . . 100 . . mM . . . . 25193 8 3 EDTA 'natural abundance' . . . . . . 200 . . uM . . . . 25193 8 4 DTT 'natural abundance' . . . . . . 1 . . mM . . . . 25193 8 5 DSS 'natural abundance' . . . . . . 30 . . uM . . . . 25193 8 6 NisI2-226 [15N]-Phe . . 1 $NisI . . 500 . . uM . . . . 25193 8 7 H2O 'natural abundance' . . . . . . 90 . . % . . . . 25193 8 8 D2O 'natural abundance' . . . . . . 10 . . % . . . . 25193 8 stop_ save_ ####################### # Sample conditions # ####################### save_sample_conditions_01 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode sample_conditions_01 _Sample_condition_list.Entry_ID 25193 _Sample_condition_list.ID 1 _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID 'ionic strength' 100 . mM 25193 1 pH 6.5 . pH 25193 1 pressure 1 . atm 25193 1 temperature 298 . K 25193 1 stop_ save_ ############################ # Computer software used # ############################ save_CCPN_Analysis _Software.Sf_category software _Software.Sf_framecode CCPN_Analysis _Software.Entry_ID 25193 _Software.ID 1 _Software.Name CCPN_Analysis _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID CCPN . . 25193 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' 25193 1 'data analysis' 25193 1 stop_ save_ save_CARA _Software.Sf_category software _Software.Sf_framecode CARA _Software.Entry_ID 25193 _Software.ID 2 _Software.Name CARA _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Keller and Wuthrich' . . 25193 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' 25193 2 'data analysis' 25193 2 stop_ save_ save_TOPSPIN _Software.Sf_category software _Software.Sf_framecode TOPSPIN _Software.Entry_ID 25193 _Software.ID 3 _Software.Name TOPSPIN _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Bruker Biospin' . . 25193 3 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID collection 25193 3 'data analysis' 25193 3 processing 25193 3 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_1 _NMR_spectrometer.Entry_ID 25193 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ save_spectrometer_2 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_2 _NMR_spectrometer.Entry_ID 25193 _NMR_spectrometer.ID 2 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 700 save_ save_spectrometer_3 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_3 _NMR_spectrometer.Entry_ID 25193 _NMR_spectrometer.ID 3 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 800 save_ save_spectrometer_4 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_4 _NMR_spectrometer.Entry_ID 25193 _NMR_spectrometer.ID 4 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 950 save_ save_spectrometer_5 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_5 _NMR_spectrometer.Entry_ID 25193 _NMR_spectrometer.ID 5 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 900 save_ save_NMR_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode NMR_spectrometer_list _NMR_spectrometer_list.Entry_ID 25193 _NMR_spectrometer_list.ID 1 loop_ _NMR_spectrometer_view.ID _NMR_spectrometer_view.Name _NMR_spectrometer_view.Manufacturer _NMR_spectrometer_view.Model _NMR_spectrometer_view.Serial_number _NMR_spectrometer_view.Field_strength _NMR_spectrometer_view.Details _NMR_spectrometer_view.Citation_ID _NMR_spectrometer_view.Citation_label _NMR_spectrometer_view.Entry_ID _NMR_spectrometer_view.NMR_spectrometer_list_ID 1 spectrometer_1 Bruker Avance . 600 . . . 25193 1 2 spectrometer_2 Bruker Avance . 700 . . . 25193 1 3 spectrometer_3 Bruker Avance . 800 . . . 25193 1 4 spectrometer_4 Bruker Avance . 950 . . . 25193 1 5 spectrometer_5 Bruker Avance . 900 . . . 25193 1 stop_ save_ ############################# # NMR applied experiments # ############################# save_experiment_list _Experiment_list.Sf_category experiment_list _Experiment_list.Sf_framecode experiment_list _Experiment_list.Entry_ID 25193 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NMR_spec_expt_ID _Experiment.NMR_spec_expt_label _Experiment.MS_expt_ID _Experiment.MS_expt_label _Experiment.SAXS_expt_ID _Experiment.SAXS_expt_label _Experiment.FRET_expt_ID _Experiment.FRET_expt_label _Experiment.EMR_expt_ID _Experiment.EMR_expt_label _Experiment.Sample_ID _Experiment.Sample_label _Experiment.Sample_state _Experiment.Sample_volume _Experiment.Sample_volume_units _Experiment.Sample_condition_list_ID _Experiment.Sample_condition_list_label _Experiment.Sample_spinning_rate _Experiment.Sample_angle _Experiment.NMR_tube_type _Experiment.NMR_spectrometer_ID _Experiment.NMR_spectrometer_label _Experiment.NMR_spectrometer_probe_ID _Experiment.NMR_spectrometer_probe_label _Experiment.NMR_spectral_processing_ID _Experiment.NMR_spectral_processing_label _Experiment.Mass_spectrometer_ID _Experiment.Mass_spectrometer_label _Experiment.Xray_instrument_ID _Experiment.Xray_instrument_label _Experiment.Fluorescence_instrument_ID _Experiment.Fluorescence_instrument_label _Experiment.EMR_instrument_ID _Experiment.EMR_instrument_label _Experiment.Chromatographic_system_ID _Experiment.Chromatographic_system_label _Experiment.Chromatographic_column_ID _Experiment.Chromatographic_column_label _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 '2D 1H-15N HSQC' no . . . . . . . . . . 1 $15N isotropic . . 1 $sample_conditions_01 . . . 5 $spectrometer_5 . . . . . . . . . . . . . . . . 25193 1 2 '3D HNCA' no . . . . . . . . . . 2 $2H15N13C isotropic . . 1 $sample_conditions_01 . . . 5 $spectrometer_5 . . . . . . . . . . . . . . . . 25193 1 3 '3D HNCACB' no . . . . . . . . . . 2 $2H15N13C isotropic . . 1 $sample_conditions_01 . . . 4 $spectrometer_4 . . . . . . . . . . . . . . . . 25193 1 4 '3D HNCACO' no . . . . . . . . . . 2 $2H15N13C isotropic . . 1 $sample_conditions_01 . . . 4 $spectrometer_4 . . . . . . . . . . . . . . . . 25193 1 5 '3D HNCO' no . . . . . . . . . . 2 $2H15N13C isotropic . . 1 $sample_conditions_01 . . . 5 $spectrometer_5 . . . . . . . . . . . . . . . . 25193 1 6 '3D HN(CO)CA' no . . . . . . . . . . 2 $2H15N13C isotropic . . 1 $sample_conditions_01 . . . 4 $spectrometer_4 . . . . . . . . . . . . . . . . 25193 1 7 '2D 1H-15N HSQC' no . . . . . . . . . . 3 $13CTyr-15NLys isotropic . . 1 $sample_conditions_01 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 25193 1 8 '2D HNCO' no . . . . . . . . . . 3 $13CTyr-15NLys isotropic . . 1 $sample_conditions_01 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 25193 1 9 '2D 1H-15N HSQC' no . . . . . . . . . . 4 $13CThr-15NLys isotropic . . 1 $sample_conditions_01 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 25193 1 10 '2D HNCO' no . . . . . . . . . . 4 $13CThr-15NLys isotropic . . 1 $sample_conditions_01 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 25193 1 11 '2D 1H-15N HSQC' no . . . . . . . . . . 5 $15NTyr isotropic . . 1 $sample_conditions_01 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 25193 1 12 '2D 1H-15N HSQC' no . . . . . . . . . . 6 $13CHis-15NLys isotropic . . 1 $sample_conditions_01 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 25193 1 13 '2D HNCO' no . . . . . . . . . . 6 $13CHis-15NLys isotropic . . 1 $sample_conditions_01 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 25193 1 14 '2D 1H-15N HSQC' no . . . . . . . . . . 7 $13CPRro-15NArg isotropic . . 1 $sample_conditions_01 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 25193 1 15 '2D HNCO' no . . . . . . . . . . 7 $13CPRro-15NArg isotropic . . 1 $sample_conditions_01 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 25193 1 16 '2D 1H-15N HSQC' no . . . . . . . . . . 8 $15NPhe isotropic . . 1 $sample_conditions_01 . . . 4 $spectrometer_4 . . . . . . . . . . . . . . . . 25193 1 stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference_1 _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chemical_shift_reference_1 _Chem_shift_reference.Entry_ID 25193 _Chem_shift_reference.ID 1 _Chem_shift_reference.Details . loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Indirect_shift_ratio_cit_ID _Chem_shift_ref.Indirect_shift_ratio_cit_label _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Correction_val_cit_ID _Chem_shift_ref.Correction_val_cit_label _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C 13 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.251449530 . . . . . . . . . 25193 1 H 1 DSS 'methyl protons' . . . . ppm 0.00 internal direct 1.000000000 . . . . . . . . . 25193 1 N 15 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.101329118 . . . . . . . . . 25193 1 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_assigned_chem_shift_list_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chem_shift_list_1 _Assigned_chem_shift_list.Entry_ID 25193 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_01 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 1 '2D 1H-15N HSQC' . . . 25193 1 2 '3D HNCA' . . . 25193 1 3 '3D HNCACB' . . . 25193 1 4 '3D HNCACO' . . . 25193 1 5 '3D HNCO' . . . 25193 1 6 '3D HN(CO)CA' . . . 25193 1 stop_ loop_ _Systematic_chem_shift_offset.Type _Systematic_chem_shift_offset.Atom_type _Systematic_chem_shift_offset.Atom_isotope_number _Systematic_chem_shift_offset.Val _Systematic_chem_shift_offset.Val_err _Systematic_chem_shift_offset.Entry_ID _Systematic_chem_shift_offset.Assigned_chem_shift_list_ID '2H isotope effect' CaCb 13 0.343 . 25193 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 1 3 3 TYR H H 1 8.470 0.000 . 1 . . . . 2 Tyr H . 25193 1 2 . 1 1 3 3 TYR C C 13 175.927 0.000 . 1 . . . . 2 Tyr C . 25193 1 3 . 1 1 3 3 TYR CA C 13 58.078 0.005 . 1 . . . . 2 Tyr CA . 25193 1 4 . 1 1 3 3 TYR CB C 13 37.917 0.012 . 1 . . . . 2 Tyr CB . 25193 1 5 . 1 1 3 3 TYR N N 15 122.483 0.016 . 1 . . . . 2 Tyr N . 25193 1 6 . 1 1 4 4 GLN H H 1 8.365 0.001 . 1 . . . . 3 Gln H . 25193 1 7 . 1 1 4 4 GLN C C 13 175.979 0.012 . 1 . . . . 3 Gln C . 25193 1 8 . 1 1 4 4 GLN CA C 13 55.601 0.016 . 1 . . . . 3 Gln CA . 25193 1 9 . 1 1 4 4 GLN CB C 13 28.847 0.020 . 1 . . . . 3 Gln CB . 25193 1 10 . 1 1 4 4 GLN N N 15 121.990 0.017 . 1 . . . . 3 Gln N . 25193 1 11 . 1 1 5 5 THR H H 1 8.170 0.000 . 1 . . . . 4 Thr H . 25193 1 12 . 1 1 5 5 THR C C 13 174.707 0.000 . 1 . . . . 4 Thr C . 25193 1 13 . 1 1 5 5 THR CA C 13 61.662 0.004 . 1 . . . . 4 Thr CA . 25193 1 14 . 1 1 5 5 THR CB C 13 69.188 0.011 . 1 . . . . 4 Thr CB . 25193 1 15 . 1 1 5 5 THR N N 15 114.774 0.007 . 1 . . . . 4 Thr N . 25193 1 16 . 1 1 6 6 SER H H 1 8.318 0.001 . 1 . . . . 5 Ser H . 25193 1 17 . 1 1 6 6 SER C C 13 174.688 0.000 . 1 . . . . 5 Ser C . 25193 1 18 . 1 1 6 6 SER CA C 13 58.177 0.000 . 1 . . . . 5 Ser CA . 25193 1 19 . 1 1 6 6 SER CB C 13 63.266 0.000 . 1 . . . . 5 Ser CB . 25193 1 20 . 1 1 6 6 SER N N 15 117.380 0.005 . 1 . . . . 5 Ser N . 25193 1 21 . 1 1 8 8 LYS H H 1 8.308 0.000 . 1 . . . . 7 Lys H . 25193 1 22 . 1 1 8 8 LYS C C 13 176.147 0.000 . 1 . . . . 7 Lys C . 25193 1 23 . 1 1 8 8 LYS CA C 13 55.895 0.000 . 1 . . . . 7 Lys CA . 25193 1 24 . 1 1 8 8 LYS CB C 13 31.988 0.018 . 1 . . . . 7 Lys CB . 25193 1 25 . 1 1 8 8 LYS N N 15 121.511 0.010 . 1 . . . . 7 Lys N . 25193 1 26 . 1 1 9 9 LYS H H 1 8.410 0.000 . 1 . . . . 8 Lys H . 25193 1 27 . 1 1 9 9 LYS C C 13 176.029 0.000 . 1 . . . . 8 Lys C . 25193 1 28 . 1 1 9 9 LYS CA C 13 56.264 0.032 . 1 . . . . 8 Lys CA . 25193 1 29 . 1 1 9 9 LYS CB C 13 33.620 0.032 . 1 . . . . 8 Lys CB . 25193 1 30 . 1 1 9 9 LYS N N 15 120.475 0.002 . 1 . . . . 8 Lys N . 25193 1 31 . 1 1 10 10 VAL H H 1 8.114 0.001 . 1 . . . . 9 Val H . 25193 1 32 . 1 1 10 10 VAL C C 13 175.799 0.000 . 1 . . . . 9 Val C . 25193 1 33 . 1 1 10 10 VAL CA C 13 61.015 0.004 . 1 . . . . 9 Val CA . 25193 1 34 . 1 1 10 10 VAL CB C 13 32.382 0.000 . 1 . . . . 9 Val CB . 25193 1 35 . 1 1 10 10 VAL N N 15 121.015 0.009 . 1 . . . . 9 Val N . 25193 1 36 . 1 1 11 11 ARG H H 1 8.541 0.000 . 1 . . . . 10 Arg H . 25193 1 37 . 1 1 11 11 ARG C C 13 176.018 0.000 . 1 . . . . 10 Arg C . 25193 1 38 . 1 1 11 11 ARG CA C 13 53.655 0.047 . 1 . . . . 10 Arg CA . 25193 1 39 . 1 1 11 11 ARG CB C 13 32.227 0.055 . 1 . . . . 10 Arg CB . 25193 1 40 . 1 1 11 11 ARG N N 15 125.539 0.001 . 1 . . . . 10 Arg N . 25193 1 41 . 1 1 12 12 PHE H H 1 9.619 0.002 . 1 . . . . 11 Phe H . 25193 1 42 . 1 1 12 12 PHE C C 13 176.176 0.041 . 1 . . . . 11 Phe C . 25193 1 43 . 1 1 12 12 PHE CA C 13 58.614 0.013 . 1 . . . . 11 Phe CA . 25193 1 44 . 1 1 12 12 PHE CB C 13 39.682 0.001 . 1 . . . . 11 Phe CB . 25193 1 45 . 1 1 12 12 PHE N N 15 129.159 0.004 . 1 . . . . 11 Phe N . 25193 1 46 . 1 1 13 13 ASP H H 1 8.729 0.001 . 1 . . . . 12 Asp H . 25193 1 47 . 1 1 13 13 ASP C C 13 176.893 0.000 . 1 . . . . 12 Asp C . 25193 1 48 . 1 1 13 13 ASP CA C 13 54.006 0.000 . 1 . . . . 12 Asp CA . 25193 1 49 . 1 1 13 13 ASP CB C 13 40.352 0.000 . 1 . . . . 12 Asp CB . 25193 1 50 . 1 1 13 13 ASP N N 15 123.521 0.007 . 1 . . . . 12 Asp N . 25193 1 51 . 1 1 14 14 GLU H H 1 8.725 0.000 . 1 . . . . 13 Glu H . 25193 1 52 . 1 1 14 14 GLU C C 13 178.311 0.000 . 1 . . . . 13 Glu C . 25193 1 53 . 1 1 14 14 GLU CA C 13 57.196 0.020 . 1 . . . . 13 Glu CA . 25193 1 54 . 1 1 14 14 GLU CB C 13 28.724 0.025 . 1 . . . . 13 Glu CB . 25193 1 55 . 1 1 14 14 GLU N N 15 123.505 0.002 . 1 . . . . 13 Glu N . 25193 1 56 . 1 1 15 15 GLY H H 1 9.225 0.004 . 1 . . . . 14 Gly H . 25193 1 57 . 1 1 15 15 GLY C C 13 173.218 0.000 . 1 . . . . 14 Gly C . 25193 1 58 . 1 1 15 15 GLY CA C 13 45.774 0.000 . 1 . . . . 14 Gly CA . 25193 1 59 . 1 1 15 15 GLY N N 15 112.513 0.013 . 1 . . . . 14 Gly N . 25193 1 60 . 1 1 16 16 SER H H 1 7.863 0.000 . 1 . . . . 15 Ser H . 25193 1 61 . 1 1 16 16 SER C C 13 174.009 0.014 . 1 . . . . 15 Ser C . 25193 1 62 . 1 1 16 16 SER CA C 13 56.296 0.069 . 1 . . . . 15 Ser CA . 25193 1 63 . 1 1 16 16 SER CB C 13 66.225 0.011 . 1 . . . . 15 Ser CB . 25193 1 64 . 1 1 16 16 SER N N 15 113.738 0.004 . 1 . . . . 15 Ser N . 25193 1 65 . 1 1 17 17 TYR H H 1 8.175 0.003 . 1 . . . . 16 Tyr H . 25193 1 66 . 1 1 17 17 TYR C C 13 171.494 0.003 . 1 . . . . 16 Tyr C . 25193 1 67 . 1 1 17 17 TYR CA C 13 55.917 0.118 . 1 . . . . 16 Tyr CA . 25193 1 68 . 1 1 17 17 TYR CB C 13 38.216 0.000 . 1 . . . . 16 Tyr CB . 25193 1 69 . 1 1 17 17 TYR N N 15 119.823 0.003 . 1 . . . . 16 Tyr N . 25193 1 70 . 1 1 18 18 THR H H 1 7.727 0.001 . 1 . . . . 17 Thr H . 25193 1 71 . 1 1 18 18 THR C C 13 174.637 0.000 . 1 . . . . 17 Thr C . 25193 1 72 . 1 1 18 18 THR CA C 13 61.827 0.000 . 1 . . . . 17 Thr CA . 25193 1 73 . 1 1 18 18 THR CB C 13 71.309 0.008 . 1 . . . . 17 Thr CB . 25193 1 74 . 1 1 18 18 THR N N 15 103.260 0.015 . 1 . . . . 17 Thr N . 25193 1 75 . 1 1 19 19 ASN H H 1 8.349 0.001 . 1 . . . . 18 Asn H . 25193 1 76 . 1 1 19 19 ASN C C 13 173.549 0.000 . 1 . . . . 18 Asn C . 25193 1 77 . 1 1 19 19 ASN CA C 13 52.572 0.011 . 1 . . . . 18 Asn CA . 25193 1 78 . 1 1 19 19 ASN CB C 13 38.857 0.007 . 1 . . . . 18 Asn CB . 25193 1 79 . 1 1 19 19 ASN N N 15 121.362 0.006 . 1 . . . . 18 Asn N . 25193 1 80 . 1 1 20 20 PHE H H 1 8.273 0.000 . 1 . . . . 19 Phe H . 25193 1 81 . 1 1 20 20 PHE C C 13 171.715 0.014 . 1 . . . . 19 Phe C . 25193 1 82 . 1 1 20 20 PHE CA C 13 54.756 0.012 . 1 . . . . 19 Phe CA . 25193 1 83 . 1 1 20 20 PHE CB C 13 40.144 0.001 . 1 . . . . 19 Phe CB . 25193 1 84 . 1 1 20 20 PHE N N 15 117.446 0.004 . 1 . . . . 19 Phe N . 25193 1 85 . 1 1 21 21 ILE H H 1 8.722 0.002 . 1 . . . . 20 Ile H . 25193 1 86 . 1 1 21 21 ILE C C 13 175.652 0.003 . 1 . . . . 20 Ile C . 25193 1 87 . 1 1 21 21 ILE CA C 13 58.565 0.010 . 1 . . . . 20 Ile CA . 25193 1 88 . 1 1 21 21 ILE CB C 13 39.176 0.006 . 1 . . . . 20 Ile CB . 25193 1 89 . 1 1 21 21 ILE N N 15 119.064 0.011 . 1 . . . . 20 Ile N . 25193 1 90 . 1 1 22 22 TYR H H 1 9.047 0.001 . 1 . . . . 21 Tyr H . 25193 1 91 . 1 1 22 22 TYR C C 13 174.851 0.000 . 1 . . . . 21 Tyr C . 25193 1 92 . 1 1 22 22 TYR CA C 13 55.397 0.012 . 1 . . . . 21 Tyr CA . 25193 1 93 . 1 1 22 22 TYR CB C 13 40.232 0.004 . 1 . . . . 21 Tyr CB . 25193 1 94 . 1 1 22 22 TYR N N 15 126.656 0.003 . 1 . . . . 21 Tyr N . 25193 1 95 . 1 1 23 23 ASP H H 1 8.773 0.001 . 1 . . . . 22 Asp H . 25193 1 96 . 1 1 23 23 ASP C C 13 174.988 0.020 . 1 . . . . 22 Asp C . 25193 1 97 . 1 1 23 23 ASP CA C 13 54.476 0.000 . 1 . . . . 22 Asp CA . 25193 1 98 . 1 1 23 23 ASP CB C 13 38.725 0.009 . 1 . . . . 22 Asp CB . 25193 1 99 . 1 1 23 23 ASP N N 15 130.416 0.003 . 1 . . . . 22 Asp N . 25193 1 100 . 1 1 24 24 ASN H H 1 8.533 0.000 . 1 . . . . 23 Asn H . 25193 1 101 . 1 1 24 24 ASN C C 13 173.737 0.000 . 1 . . . . 23 Asn C . 25193 1 102 . 1 1 24 24 ASN CA C 13 54.637 0.018 . 1 . . . . 23 Asn CA . 25193 1 103 . 1 1 24 24 ASN CB C 13 37.510 0.009 . 1 . . . . 23 Asn CB . 25193 1 104 . 1 1 24 24 ASN N N 15 107.654 0.008 . 1 . . . . 23 Asn N . 25193 1 105 . 1 1 25 25 LYS H H 1 7.793 0.000 . 1 . . . . 24 Lys H . 25193 1 106 . 1 1 25 25 LYS C C 13 174.400 0.000 . 1 . . . . 24 Lys C . 25193 1 107 . 1 1 25 25 LYS CA C 13 54.788 0.003 . 1 . . . . 24 Lys CA . 25193 1 108 . 1 1 25 25 LYS CB C 13 34.725 0.001 . 1 . . . . 24 Lys CB . 25193 1 109 . 1 1 25 25 LYS N N 15 120.080 0.008 . 1 . . . . 24 Lys N . 25193 1 110 . 1 1 26 26 SER H H 1 8.247 0.000 . 1 . . . . 25 Ser H . 25193 1 111 . 1 1 26 26 SER C C 13 174.372 0.023 . 1 . . . . 25 Ser C . 25193 1 112 . 1 1 26 26 SER CA C 13 58.444 0.006 . 1 . . . . 25 Ser CA . 25193 1 113 . 1 1 26 26 SER CB C 13 62.835 0.005 . 1 . . . . 25 Ser CB . 25193 1 114 . 1 1 26 26 SER N N 15 116.548 0.003 . 1 . . . . 25 Ser N . 25193 1 115 . 1 1 27 27 TYR H H 1 9.109 0.000 . 1 . . . . 26 Tyr H . 25193 1 116 . 1 1 27 27 TYR C C 13 174.732 0.010 . 1 . . . . 26 Tyr C . 25193 1 117 . 1 1 27 27 TYR CA C 13 56.623 0.000 . 1 . . . . 26 Tyr CA . 25193 1 118 . 1 1 27 27 TYR CB C 13 45.196 0.008 . 1 . . . . 26 Tyr CB . 25193 1 119 . 1 1 27 27 TYR N N 15 128.030 0.001 . 1 . . . . 26 Tyr N . 25193 1 120 . 1 1 28 28 PHE H H 1 9.483 0.000 . 1 . . . . 27 Phe H . 25193 1 121 . 1 1 28 28 PHE C C 13 173.750 0.014 . 1 . . . . 27 Phe C . 25193 1 122 . 1 1 28 28 PHE CA C 13 55.064 0.011 . 1 . . . . 27 Phe CA . 25193 1 123 . 1 1 28 28 PHE CB C 13 42.582 0.014 . 1 . . . . 27 Phe CB . 25193 1 124 . 1 1 28 28 PHE N N 15 116.700 0.007 . 1 . . . . 27 Phe N . 25193 1 125 . 1 1 29 29 VAL H H 1 9.095 0.000 . 1 . . . . 28 Val H . 25193 1 126 . 1 1 29 29 VAL C C 13 176.112 0.003 . 1 . . . . 28 Val C . 25193 1 127 . 1 1 29 29 VAL CA C 13 62.699 0.002 . 1 . . . . 28 Val CA . 25193 1 128 . 1 1 29 29 VAL CB C 13 31.386 0.005 . 1 . . . . 28 Val CB . 25193 1 129 . 1 1 29 29 VAL N N 15 120.221 0.003 . 1 . . . . 28 Val N . 25193 1 130 . 1 1 30 30 THR H H 1 8.363 0.000 . 1 . . . . 29 Thr H . 25193 1 131 . 1 1 30 30 THR C C 13 171.757 0.005 . 1 . . . . 29 Thr C . 25193 1 132 . 1 1 30 30 THR CA C 13 61.390 0.007 . 1 . . . . 29 Thr CA . 25193 1 133 . 1 1 30 30 THR CB C 13 70.779 0.003 . 1 . . . . 29 Thr CB . 25193 1 134 . 1 1 30 30 THR N N 15 118.790 0.023 . 1 . . . . 29 Thr N . 25193 1 135 . 1 1 31 31 ASP H H 1 7.671 0.000 . 1 . . . . 30 Asp H . 25193 1 136 . 1 1 31 31 ASP C C 13 176.760 0.021 . 1 . . . . 30 Asp C . 25193 1 137 . 1 1 31 31 ASP CA C 13 53.623 0.011 . 1 . . . . 30 Asp CA . 25193 1 138 . 1 1 31 31 ASP CB C 13 42.323 0.003 . 1 . . . . 30 Asp CB . 25193 1 139 . 1 1 31 31 ASP N N 15 112.770 0.007 . 1 . . . . 30 Asp N . 25193 1 140 . 1 1 32 32 LYS H H 1 8.402 0.001 . 1 . . . . 31 Lys H . 25193 1 141 . 1 1 32 32 LYS C C 13 173.709 0.020 . 1 . . . . 31 Lys C . 25193 1 142 . 1 1 32 32 LYS CA C 13 54.497 0.056 . 1 . . . . 31 Lys CA . 25193 1 143 . 1 1 32 32 LYS CB C 13 30.871 0.012 . 1 . . . . 31 Lys CB . 25193 1 144 . 1 1 32 32 LYS N N 15 119.700 0.020 . 1 . . . . 31 Lys N . 25193 1 145 . 1 1 33 33 GLU H H 1 8.510 0.000 . 1 . . . . 32 Glu H . 25193 1 146 . 1 1 33 33 GLU C C 13 176.519 0.004 . 1 . . . . 32 Glu C . 25193 1 147 . 1 1 33 33 GLU CA C 13 55.009 0.053 . 1 . . . . 32 Glu CA . 25193 1 148 . 1 1 33 33 GLU CB C 13 29.566 0.002 . 1 . . . . 32 Glu CB . 25193 1 149 . 1 1 33 33 GLU N N 15 129.172 0.004 . 1 . . . . 32 Glu N . 25193 1 150 . 1 1 34 34 ILE H H 1 8.619 0.001 . 1 . . . . 33 Ile H . 25193 1 151 . 1 1 34 34 ILE C C 13 173.788 0.000 . 1 . . . . 33 Ile C . 25193 1 152 . 1 1 34 34 ILE CA C 13 55.387 0.000 . 1 . . . . 33 Ile CA . 25193 1 153 . 1 1 34 34 ILE CB C 13 38.276 0.000 . 1 . . . . 33 Ile CB . 25193 1 154 . 1 1 34 34 ILE N N 15 128.796 0.002 . 1 . . . . 33 Ile N . 25193 1 155 . 1 1 35 35 PRO CA C 13 62.329 0.000 . 1 . . . . 34 Pro CA . 25193 1 156 . 1 1 35 35 PRO CB C 13 31.563 0.000 . 1 . . . . 34 Pro CB . 25193 1 157 . 1 1 36 36 GLN H H 1 8.739 0.000 . 1 . . . . 35 Gln H . 25193 1 158 . 1 1 36 36 GLN C C 13 177.717 0.028 . 1 . . . . 35 Gln C . 25193 1 159 . 1 1 36 36 GLN CA C 13 58.715 0.000 . 1 . . . . 35 Gln CA . 25193 1 160 . 1 1 36 36 GLN CB C 13 27.651 0.000 . 1 . . . . 35 Gln CB . 25193 1 161 . 1 1 36 36 GLN N N 15 121.764 0.005 . 1 . . . . 35 Gln N . 25193 1 162 . 1 1 37 37 GLU H H 1 9.295 0.001 . 1 . . . . 36 Glu H . 25193 1 163 . 1 1 37 37 GLU C C 13 176.668 0.014 . 1 . . . . 36 Glu C . 25193 1 164 . 1 1 37 37 GLU CA C 13 58.177 0.010 . 1 . . . . 36 Glu CA . 25193 1 165 . 1 1 37 37 GLU CB C 13 27.611 0.012 . 1 . . . . 36 Glu CB . 25193 1 166 . 1 1 37 37 GLU N N 15 116.800 0.001 . 1 . . . . 36 Glu N . 25193 1 167 . 1 1 38 38 ASN H H 1 8.033 0.000 . 1 . . . . 37 Asn H . 25193 1 168 . 1 1 38 38 ASN C C 13 173.158 0.000 . 1 . . . . 37 Asn C . 25193 1 169 . 1 1 38 38 ASN CA C 13 52.317 0.000 . 1 . . . . 37 Asn CA . 25193 1 170 . 1 1 38 38 ASN CB C 13 38.504 0.002 . 1 . . . . 37 Asn CB . 25193 1 171 . 1 1 38 38 ASN N N 15 117.322 0.006 . 1 . . . . 37 Asn N . 25193 1 172 . 1 1 39 39 VAL H H 1 7.298 0.000 . 1 . . . . 38 Val H . 25193 1 173 . 1 1 39 39 VAL C C 13 175.089 0.009 . 1 . . . . 38 Val C . 25193 1 174 . 1 1 39 39 VAL CA C 13 63.999 0.005 . 1 . . . . 38 Val CA . 25193 1 175 . 1 1 39 39 VAL CB C 13 30.700 0.004 . 1 . . . . 38 Val CB . 25193 1 176 . 1 1 39 39 VAL N N 15 121.491 0.004 . 1 . . . . 38 Val N . 25193 1 177 . 1 1 40 40 ASN H H 1 8.658 0.000 . 1 . . . . 39 Asn H . 25193 1 178 . 1 1 40 40 ASN C C 13 174.246 0.007 . 1 . . . . 39 Asn C . 25193 1 179 . 1 1 40 40 ASN CA C 13 52.838 0.000 . 1 . . . . 39 Asn CA . 25193 1 180 . 1 1 40 40 ASN CB C 13 38.931 0.015 . 1 . . . . 39 Asn CB . 25193 1 181 . 1 1 40 40 ASN N N 15 126.799 0.005 . 1 . . . . 39 Asn N . 25193 1 182 . 1 1 41 41 ASN H H 1 7.947 0.001 . 1 . . . . 40 Asn H . 25193 1 183 . 1 1 41 41 ASN C C 13 174.986 0.005 . 1 . . . . 40 Asn C . 25193 1 184 . 1 1 41 41 ASN CA C 13 53.172 0.001 . 1 . . . . 40 Asn CA . 25193 1 185 . 1 1 41 41 ASN CB C 13 39.596 0.002 . 1 . . . . 40 Asn CB . 25193 1 186 . 1 1 41 41 ASN N N 15 114.828 0.004 . 1 . . . . 40 Asn N . 25193 1 187 . 1 1 42 42 SER H H 1 8.851 0.001 . 1 . . . . 41 Ser H . 25193 1 188 . 1 1 42 42 SER C C 13 174.051 0.008 . 1 . . . . 41 Ser C . 25193 1 189 . 1 1 42 42 SER CA C 13 58.306 0.014 . 1 . . . . 41 Ser CA . 25193 1 190 . 1 1 42 42 SER CB C 13 62.627 0.001 . 1 . . . . 41 Ser CB . 25193 1 191 . 1 1 42 42 SER N N 15 115.378 0.003 . 1 . . . . 41 Ser N . 25193 1 192 . 1 1 43 43 LYS H H 1 9.430 0.000 . 1 . . . . 42 Lys H . 25193 1 193 . 1 1 43 43 LYS C C 13 176.458 0.009 . 1 . . . . 42 Lys C . 25193 1 194 . 1 1 43 43 LYS CA C 13 55.608 0.036 . 1 . . . . 42 Lys CA . 25193 1 195 . 1 1 43 43 LYS CB C 13 33.690 0.030 . 1 . . . . 42 Lys CB . 25193 1 196 . 1 1 43 43 LYS N N 15 125.257 0.002 . 1 . . . . 42 Lys N . 25193 1 197 . 1 1 44 44 VAL H H 1 7.683 0.000 . 1 . . . . 43 Val H . 25193 1 198 . 1 1 44 44 VAL C C 13 174.073 0.007 . 1 . . . . 43 Val C . 25193 1 199 . 1 1 44 44 VAL CA C 13 60.733 0.012 . 1 . . . . 43 Val CA . 25193 1 200 . 1 1 44 44 VAL CB C 13 34.552 0.007 . 1 . . . . 43 Val CB . 25193 1 201 . 1 1 44 44 VAL N N 15 116.680 0.003 . 1 . . . . 43 Val N . 25193 1 202 . 1 1 45 45 LYS H H 1 8.622 0.000 . 1 . . . . 44 Lys H . 25193 1 203 . 1 1 45 45 LYS C C 13 176.494 0.013 . 1 . . . . 44 Lys C . 25193 1 204 . 1 1 45 45 LYS CA C 13 54.329 0.002 . 1 . . . . 44 Lys CA . 25193 1 205 . 1 1 45 45 LYS CB C 13 31.718 0.003 . 1 . . . . 44 Lys CB . 25193 1 206 . 1 1 45 45 LYS N N 15 127.472 0.001 . 1 . . . . 44 Lys N . 25193 1 207 . 1 1 46 46 PHE H H 1 8.618 0.000 . 1 . . . . 45 Phe H . 25193 1 208 . 1 1 46 46 PHE C C 13 171.213 0.001 . 1 . . . . 45 Phe C . 25193 1 209 . 1 1 46 46 PHE CA C 13 57.045 0.014 . 1 . . . . 45 Phe CA . 25193 1 210 . 1 1 46 46 PHE CB C 13 40.401 0.000 . 1 . . . . 45 Phe CB . 25193 1 211 . 1 1 46 46 PHE N N 15 122.227 0.009 . 1 . . . . 45 Phe N . 25193 1 212 . 1 1 47 47 TYR H H 1 8.294 0.001 . 1 . . . . 46 Tyr H . 25193 1 213 . 1 1 47 47 TYR C C 13 173.935 0.000 . 1 . . . . 46 Tyr C . 25193 1 214 . 1 1 47 47 TYR CA C 13 56.448 0.019 . 1 . . . . 46 Tyr CA . 25193 1 215 . 1 1 47 47 TYR CB C 13 41.272 0.005 . 1 . . . . 46 Tyr CB . 25193 1 216 . 1 1 47 47 TYR N N 15 125.159 0.006 . 1 . . . . 46 Tyr N . 25193 1 217 . 1 1 48 48 LYS H H 1 8.563 0.002 . 1 . . . . 47 Lys H . 25193 1 218 . 1 1 48 48 LYS CA C 13 55.260 0.001 . 1 . . . . 47 Lys CA . 25193 1 219 . 1 1 48 48 LYS CB C 13 35.988 0.016 . 1 . . . . 47 Lys CB . 25193 1 220 . 1 1 48 48 LYS N N 15 129.392 0.025 . 1 . . . . 47 Lys N . 25193 1 221 . 1 1 49 49 LEU H H 1 8.337 0.000 . 1 . . . . 48 Leu H . 25193 1 222 . 1 1 49 49 LEU C C 13 176.477 0.000 . 1 . . . . 48 Leu C . 25193 1 223 . 1 1 49 49 LEU CA C 13 53.613 0.044 . 1 . . . . 48 Leu CA . 25193 1 224 . 1 1 49 49 LEU CB C 13 42.942 0.020 . 1 . . . . 48 Leu CB . 25193 1 225 . 1 1 49 49 LEU N N 15 127.562 0.006 . 1 . . . . 48 Leu N . 25193 1 226 . 1 1 50 50 LEU H H 1 9.081 0.000 . 1 . . . . 49 Leu H . 25193 1 227 . 1 1 50 50 LEU C C 13 173.878 0.025 . 1 . . . . 49 Leu C . 25193 1 228 . 1 1 50 50 LEU CA C 13 53.153 0.013 . 1 . . . . 49 Leu CA . 25193 1 229 . 1 1 50 50 LEU CB C 13 45.244 0.011 . 1 . . . . 49 Leu CB . 25193 1 230 . 1 1 50 50 LEU N N 15 125.993 0.011 . 1 . . . . 49 Leu N . 25193 1 231 . 1 1 51 51 ILE H H 1 8.636 0.000 . 1 . . . . 50 Ile H . 25193 1 232 . 1 1 51 51 ILE C C 13 174.946 0.012 . 1 . . . . 50 Ile C . 25193 1 233 . 1 1 51 51 ILE CA C 13 60.421 0.022 . 1 . . . . 50 Ile CA . 25193 1 234 . 1 1 51 51 ILE CB C 13 37.523 0.016 . 1 . . . . 50 Ile CB . 25193 1 235 . 1 1 51 51 ILE N N 15 123.055 0.002 . 1 . . . . 50 Ile N . 25193 1 236 . 1 1 52 52 VAL H H 1 8.902 0.000 . 1 . . . . 51 Val H . 25193 1 237 . 1 1 52 52 VAL C C 13 175.536 0.010 . 1 . . . . 51 Val C . 25193 1 238 . 1 1 52 52 VAL CA C 13 59.846 0.001 . 1 . . . . 51 Val CA . 25193 1 239 . 1 1 52 52 VAL CB C 13 33.535 0.002 . 1 . . . . 51 Val CB . 25193 1 240 . 1 1 52 52 VAL N N 15 125.431 0.002 . 1 . . . . 51 Val N . 25193 1 241 . 1 1 53 53 ASP H H 1 8.699 0.000 . 1 . . . . 52 Asp H . 25193 1 242 . 1 1 53 53 ASP C C 13 177.075 0.000 . 1 . . . . 52 Asp C . 25193 1 243 . 1 1 53 53 ASP CA C 13 54.513 0.005 . 1 . . . . 52 Asp CA . 25193 1 244 . 1 1 53 53 ASP CB C 13 42.682 0.009 . 1 . . . . 52 Asp CB . 25193 1 245 . 1 1 53 53 ASP N N 15 126.744 0.004 . 1 . . . . 52 Asp N . 25193 1 246 . 1 1 54 54 MET H H 1 8.744 0.000 . 1 . . . . 53 Met H . 25193 1 247 . 1 1 54 54 MET C C 13 176.995 0.024 . 1 . . . . 53 Met C . 25193 1 248 . 1 1 54 54 MET CA C 13 57.659 0.000 . 1 . . . . 53 Met CA . 25193 1 249 . 1 1 54 54 MET CB C 13 32.501 0.018 . 1 . . . . 53 Met CB . 25193 1 250 . 1 1 54 54 MET N N 15 125.460 0.008 . 1 . . . . 53 Met N . 25193 1 251 . 1 1 55 55 LYS H H 1 8.659 0.001 . 1 . . . . 54 Lys H . 25193 1 252 . 1 1 55 55 LYS C C 13 178.021 0.033 . 1 . . . . 54 Lys C . 25193 1 253 . 1 1 55 55 LYS CA C 13 57.444 0.018 . 1 . . . . 54 Lys CA . 25193 1 254 . 1 1 55 55 LYS CB C 13 31.613 0.000 . 1 . . . . 54 Lys CB . 25193 1 255 . 1 1 55 55 LYS N N 15 116.717 0.019 . 1 . . . . 54 Lys N . 25193 1 256 . 1 1 56 56 SER H H 1 8.434 0.001 . 1 . . . . 55 Ser H . 25193 1 257 . 1 1 56 56 SER C C 13 175.292 0.020 . 1 . . . . 55 Ser C . 25193 1 258 . 1 1 56 56 SER CA C 13 58.077 0.000 . 1 . . . . 55 Ser CA . 25193 1 259 . 1 1 56 56 SER CB C 13 64.892 0.008 . 1 . . . . 55 Ser CB . 25193 1 260 . 1 1 56 56 SER N N 15 113.070 0.005 . 1 . . . . 55 Ser N . 25193 1 261 . 1 1 57 57 GLU H H 1 8.180 0.000 . 1 . . . . 56 Glu H . 25193 1 262 . 1 1 57 57 GLU C C 13 174.086 0.002 . 1 . . . . 56 Glu C . 25193 1 263 . 1 1 57 57 GLU CA C 13 58.177 0.002 . 1 . . . . 56 Glu CA . 25193 1 264 . 1 1 57 57 GLU CB C 13 26.105 0.013 . 1 . . . . 56 Glu CB . 25193 1 265 . 1 1 57 57 GLU N N 15 117.030 0.002 . 1 . . . . 56 Glu N . 25193 1 266 . 1 1 58 58 LYS H H 1 7.479 0.001 . 1 . . . . 57 Lys H . 25193 1 267 . 1 1 58 58 LYS C C 13 175.877 0.000 . 1 . . . . 57 Lys C . 25193 1 268 . 1 1 58 58 LYS CA C 13 54.914 0.022 . 1 . . . . 57 Lys CA . 25193 1 269 . 1 1 58 58 LYS CB C 13 33.213 0.005 . 1 . . . . 57 Lys CB . 25193 1 270 . 1 1 58 58 LYS N N 15 116.774 0.002 . 1 . . . . 57 Lys N . 25193 1 271 . 1 1 59 59 LEU H H 1 8.394 0.000 . 1 . . . . 58 Leu H . 25193 1 272 . 1 1 59 59 LEU C C 13 177.784 0.003 . 1 . . . . 58 Leu C . 25193 1 273 . 1 1 59 59 LEU CA C 13 54.330 0.006 . 1 . . . . 58 Leu CA . 25193 1 274 . 1 1 59 59 LEU CB C 13 40.501 0.014 . 1 . . . . 58 Leu CB . 25193 1 275 . 1 1 59 59 LEU N N 15 119.871 0.014 . 1 . . . . 58 Leu N . 25193 1 276 . 1 1 60 60 LEU H H 1 8.888 0.000 . 1 . . . . 59 Leu H . 25193 1 277 . 1 1 60 60 LEU C C 13 176.942 0.018 . 1 . . . . 59 Leu C . 25193 1 278 . 1 1 60 60 LEU CA C 13 52.522 0.003 . 1 . . . . 59 Leu CA . 25193 1 279 . 1 1 60 60 LEU CB C 13 44.876 0.005 . 1 . . . . 59 Leu CB . 25193 1 280 . 1 1 60 60 LEU N N 15 122.602 0.003 . 1 . . . . 59 Leu N . 25193 1 281 . 1 1 61 61 SER H H 1 8.637 0.001 . 1 . . . . 60 Ser H . 25193 1 282 . 1 1 61 61 SER C C 13 174.139 0.000 . 1 . . . . 60 Ser C . 25193 1 283 . 1 1 61 61 SER CA C 13 58.347 0.003 . 1 . . . . 60 Ser CA . 25193 1 284 . 1 1 61 61 SER CB C 13 63.456 0.016 . 1 . . . . 60 Ser CB . 25193 1 285 . 1 1 61 61 SER N N 15 112.015 0.003 . 1 . . . . 60 Ser N . 25193 1 286 . 1 1 62 62 SER H H 1 7.356 0.001 . 1 . . . . 61 Ser H . 25193 1 287 . 1 1 62 62 SER C C 13 172.934 0.006 . 1 . . . . 61 Ser C . 25193 1 288 . 1 1 62 62 SER CA C 13 56.887 0.003 . 1 . . . . 61 Ser CA . 25193 1 289 . 1 1 62 62 SER CB C 13 64.725 0.012 . 1 . . . . 61 Ser CB . 25193 1 290 . 1 1 62 62 SER N N 15 113.924 0.009 . 1 . . . . 61 Ser N . 25193 1 291 . 1 1 63 63 SER H H 1 8.552 0.000 . 1 . . . . 62 Ser H . 25193 1 292 . 1 1 63 63 SER C C 13 173.628 0.082 . 1 . . . . 62 Ser C . 25193 1 293 . 1 1 63 63 SER CA C 13 59.299 0.000 . 1 . . . . 62 Ser CA . 25193 1 294 . 1 1 63 63 SER CB C 13 63.330 0.009 . 1 . . . . 62 Ser CB . 25193 1 295 . 1 1 63 63 SER N N 15 117.115 0.005 . 1 . . . . 62 Ser N . 25193 1 296 . 1 1 64 64 ASN H H 1 8.400 0.001 . 1 . . . . 63 Asn H . 25193 1 297 . 1 1 64 64 ASN C C 13 176.113 0.000 . 1 . . . . 63 Asn C . 25193 1 298 . 1 1 64 64 ASN CA C 13 51.479 0.024 . 1 . . . . 63 Asn CA . 25193 1 299 . 1 1 64 64 ASN CB C 13 38.920 0.030 . 1 . . . . 63 Asn CB . 25193 1 300 . 1 1 64 64 ASN N N 15 119.684 0.008 . 1 . . . . 63 Asn N . 25193 1 301 . 1 1 65 65 LYS H H 1 8.217 0.002 . 1 . . . . 64 Lys H . 25193 1 302 . 1 1 65 65 LYS C C 13 176.358 0.018 . 1 . . . . 64 Lys C . 25193 1 303 . 1 1 65 65 LYS CA C 13 57.891 0.003 . 1 . . . . 64 Lys CA . 25193 1 304 . 1 1 65 65 LYS CB C 13 31.061 0.007 . 1 . . . . 64 Lys CB . 25193 1 305 . 1 1 65 65 LYS N N 15 116.480 0.009 . 1 . . . . 64 Lys N . 25193 1 306 . 1 1 66 66 ASN H H 1 8.547 0.001 . 1 . . . . 65 Asn H . 25193 1 307 . 1 1 66 66 ASN C C 13 173.588 0.052 . 1 . . . . 65 Asn C . 25193 1 308 . 1 1 66 66 ASN CA C 13 52.258 0.016 . 1 . . . . 65 Asn CA . 25193 1 309 . 1 1 66 66 ASN CB C 13 39.611 0.031 . 1 . . . . 65 Asn CB . 25193 1 310 . 1 1 66 66 ASN N N 15 116.672 0.002 . 1 . . . . 65 Asn N . 25193 1 311 . 1 1 67 67 SER H H 1 7.969 0.001 . 1 . . . . 66 Ser H . 25193 1 312 . 1 1 67 67 SER C C 13 172.968 0.000 . 1 . . . . 66 Ser C . 25193 1 313 . 1 1 67 67 SER CA C 13 57.176 0.000 . 1 . . . . 66 Ser CA . 25193 1 314 . 1 1 67 67 SER CB C 13 66.409 0.004 . 1 . . . . 66 Ser CB . 25193 1 315 . 1 1 67 67 SER N N 15 114.807 0.008 . 1 . . . . 66 Ser N . 25193 1 316 . 1 1 68 68 VAL H H 1 8.868 0.001 . 1 . . . . 67 Val H . 25193 1 317 . 1 1 68 68 VAL C C 13 173.984 0.017 . 1 . . . . 67 Val C . 25193 1 318 . 1 1 68 68 VAL CA C 13 59.441 0.025 . 1 . . . . 67 Val CA . 25193 1 319 . 1 1 68 68 VAL CB C 13 34.326 0.001 . 1 . . . . 67 Val CB . 25193 1 320 . 1 1 68 68 VAL N N 15 117.419 0.010 . 1 . . . . 67 Val N . 25193 1 321 . 1 1 69 69 THR H H 1 8.415 0.000 . 1 . . . . 68 Thr H . 25193 1 322 . 1 1 69 69 THR C C 13 173.442 0.013 . 1 . . . . 68 Thr C . 25193 1 323 . 1 1 69 69 THR CA C 13 61.338 0.020 . 1 . . . . 68 Thr CA . 25193 1 324 . 1 1 69 69 THR CB C 13 68.817 0.000 . 1 . . . . 68 Thr CB . 25193 1 325 . 1 1 69 69 THR N N 15 121.775 0.003 . 1 . . . . 68 Thr N . 25193 1 326 . 1 1 70 70 LEU H H 1 9.484 0.000 . 1 . . . . 69 Leu H . 25193 1 327 . 1 1 70 70 LEU C C 13 173.907 0.000 . 1 . . . . 69 Leu C . 25193 1 328 . 1 1 70 70 LEU CA C 13 52.873 0.025 . 1 . . . . 69 Leu CA . 25193 1 329 . 1 1 70 70 LEU CB C 13 42.270 0.021 . 1 . . . . 69 Leu CB . 25193 1 330 . 1 1 70 70 LEU N N 15 128.934 0.006 . 1 . . . . 69 Leu N . 25193 1 331 . 1 1 71 71 VAL H H 1 8.673 0.002 . 1 . . . . 70 Val H . 25193 1 332 . 1 1 71 71 VAL CA C 13 61.471 0.002 . 1 . . . . 70 Val CA . 25193 1 333 . 1 1 71 71 VAL CB C 13 30.132 0.020 . 1 . . . . 70 Val CB . 25193 1 334 . 1 1 71 71 VAL N N 15 123.352 0.027 . 1 . . . . 70 Val N . 25193 1 335 . 1 1 72 72 LEU H H 1 8.987 0.002 . 1 . . . . 71 Leu H . 25193 1 336 . 1 1 72 72 LEU C C 13 175.297 0.002 . 1 . . . . 71 Leu C . 25193 1 337 . 1 1 72 72 LEU CA C 13 53.616 0.006 . 1 . . . . 71 Leu CA . 25193 1 338 . 1 1 72 72 LEU CB C 13 39.662 0.017 . 1 . . . . 71 Leu CB . 25193 1 339 . 1 1 72 72 LEU N N 15 131.850 0.008 . 1 . . . . 71 Leu N . 25193 1 340 . 1 1 73 73 ASN H H 1 9.094 0.001 . 1 . . . . 72 Asn H . 25193 1 341 . 1 1 73 73 ASN C C 13 173.331 0.000 . 1 . . . . 72 Asn C . 25193 1 342 . 1 1 73 73 ASN CA C 13 52.239 0.041 . 1 . . . . 72 Asn CA . 25193 1 343 . 1 1 73 73 ASN CB C 13 41.224 0.014 . 1 . . . . 72 Asn CB . 25193 1 344 . 1 1 73 73 ASN N N 15 121.242 0.009 . 1 . . . . 72 Asn N . 25193 1 345 . 1 1 74 74 ASN H H 1 6.944 0.001 . 1 . . . . 73 Asn H . 25193 1 346 . 1 1 74 74 ASN CA C 13 55.242 0.014 . 1 . . . . 73 Asn CA . 25193 1 347 . 1 1 74 74 ASN CB C 13 36.919 0.002 . 1 . . . . 73 Asn CB . 25193 1 348 . 1 1 74 74 ASN N N 15 115.270 0.010 . 1 . . . . 73 Asn N . 25193 1 349 . 1 1 75 75 ILE H H 1 8.054 0.002 . 1 . . . . 74 Ile H . 25193 1 350 . 1 1 75 75 ILE C C 13 175.226 0.001 . 1 . . . . 74 Ile C . 25193 1 351 . 1 1 75 75 ILE CA C 13 59.394 0.040 . 1 . . . . 74 Ile CA . 25193 1 352 . 1 1 75 75 ILE CB C 13 38.844 0.042 . 1 . . . . 74 Ile CB . 25193 1 353 . 1 1 75 75 ILE N N 15 115.739 0.003 . 1 . . . . 74 Ile N . 25193 1 354 . 1 1 76 76 TYR H H 1 9.831 0.000 . 1 . . . . 75 Tyr H . 25193 1 355 . 1 1 76 76 TYR C C 13 174.413 0.000 . 1 . . . . 75 Tyr C . 25193 1 356 . 1 1 76 76 TYR CA C 13 56.122 0.005 . 1 . . . . 75 Tyr CA . 25193 1 357 . 1 1 76 76 TYR CB C 13 41.433 0.007 . 1 . . . . 75 Tyr CB . 25193 1 358 . 1 1 76 76 TYR N N 15 126.086 0.007 . 1 . . . . 75 Tyr N . 25193 1 359 . 1 1 77 77 GLU H H 1 8.599 0.000 . 1 . . . . 76 Glu H . 25193 1 360 . 1 1 77 77 GLU C C 13 175.515 0.016 . 1 . . . . 76 Glu C . 25193 1 361 . 1 1 77 77 GLU CA C 13 54.904 0.009 . 1 . . . . 76 Glu CA . 25193 1 362 . 1 1 77 77 GLU CB C 13 31.758 0.007 . 1 . . . . 76 Glu CB . 25193 1 363 . 1 1 77 77 GLU N N 15 119.571 0.003 . 1 . . . . 76 Glu N . 25193 1 364 . 1 1 78 78 ALA H H 1 9.160 0.000 . 1 . . . . 77 Ala H . 25193 1 365 . 1 1 78 78 ALA C C 13 180.289 0.011 . 1 . . . . 77 Ala C . 25193 1 366 . 1 1 78 78 ALA CA C 13 50.441 0.001 . 1 . . . . 77 Ala CA . 25193 1 367 . 1 1 78 78 ALA CB C 13 20.295 0.011 . 1 . . . . 77 Ala CB . 25193 1 368 . 1 1 78 78 ALA N N 15 127.252 0.001 . 1 . . . . 77 Ala N . 25193 1 369 . 1 1 79 79 SER H H 1 9.014 0.000 . 1 . . . . 78 Ser H . 25193 1 370 . 1 1 79 79 SER C C 13 174.557 0.009 . 1 . . . . 78 Ser C . 25193 1 371 . 1 1 79 79 SER CA C 13 60.855 0.006 . 1 . . . . 78 Ser CA . 25193 1 372 . 1 1 79 79 SER CB C 13 62.411 0.003 . 1 . . . . 78 Ser CB . 25193 1 373 . 1 1 79 79 SER N N 15 116.902 0.008 . 1 . . . . 78 Ser N . 25193 1 374 . 1 1 80 80 ASP H H 1 7.883 0.001 . 1 . . . . 79 Asp H . 25193 1 375 . 1 1 80 80 ASP C C 13 176.771 0.005 . 1 . . . . 79 Asp C . 25193 1 376 . 1 1 80 80 ASP CA C 13 52.908 0.001 . 1 . . . . 79 Asp CA . 25193 1 377 . 1 1 80 80 ASP CB C 13 39.147 0.007 . 1 . . . . 79 Asp CB . 25193 1 378 . 1 1 80 80 ASP N N 15 119.351 0.002 . 1 . . . . 79 Asp N . 25193 1 379 . 1 1 81 81 LYS H H 1 8.281 0.001 . 1 . . . . 80 Lys H . 25193 1 380 . 1 1 81 81 LYS C C 13 176.392 0.004 . 1 . . . . 80 Lys C . 25193 1 381 . 1 1 81 81 LYS CA C 13 58.226 0.005 . 1 . . . . 80 Lys CA . 25193 1 382 . 1 1 81 81 LYS CB C 13 28.109 0.006 . 1 . . . . 80 Lys CB . 25193 1 383 . 1 1 81 81 LYS N N 15 111.669 0.010 . 1 . . . . 80 Lys N . 25193 1 384 . 1 1 82 82 SER H H 1 8.029 0.001 . 1 . . . . 81 Ser H . 25193 1 385 . 1 1 82 82 SER C C 13 172.052 0.012 . 1 . . . . 81 Ser C . 25193 1 386 . 1 1 82 82 SER CA C 13 59.165 0.002 . 1 . . . . 81 Ser CA . 25193 1 387 . 1 1 82 82 SER CB C 13 63.312 0.011 . 1 . . . . 81 Ser CB . 25193 1 388 . 1 1 82 82 SER N N 15 115.626 0.005 . 1 . . . . 81 Ser N . 25193 1 389 . 1 1 83 83 LEU H H 1 9.032 0.000 . 1 . . . . 82 Leu H . 25193 1 390 . 1 1 83 83 LEU C C 13 178.010 0.000 . 1 . . . . 82 Leu C . 25193 1 391 . 1 1 83 83 LEU CA C 13 53.132 0.028 . 1 . . . . 82 Leu CA . 25193 1 392 . 1 1 83 83 LEU CB C 13 43.939 0.037 . 1 . . . . 82 Leu CB . 25193 1 393 . 1 1 83 83 LEU N N 15 118.566 0.006 . 1 . . . . 82 Leu N . 25193 1 394 . 1 1 84 84 CYS H H 1 9.368 0.000 . 1 . . . . 83 Cys H . 25193 1 395 . 1 1 84 84 CYS C C 13 170.892 0.010 . 1 . . . . 83 Cys C . 25193 1 396 . 1 1 84 84 CYS CA C 13 54.948 0.001 . 1 . . . . 83 Cys CA . 25193 1 397 . 1 1 84 84 CYS CB C 13 31.587 0.009 . 1 . . . . 83 Cys CB . 25193 1 398 . 1 1 84 84 CYS N N 15 114.452 0.011 . 1 . . . . 83 Cys N . 25193 1 399 . 1 1 85 85 MET H H 1 9.616 0.000 . 1 . . . . 84 Met H . 25193 1 400 . 1 1 85 85 MET C C 13 176.567 0.007 . 1 . . . . 84 Met C . 25193 1 401 . 1 1 85 85 MET CA C 13 53.390 0.004 . 1 . . . . 84 Met CA . 25193 1 402 . 1 1 85 85 MET CB C 13 37.499 0.009 . 1 . . . . 84 Met CB . 25193 1 403 . 1 1 85 85 MET N N 15 123.342 0.006 . 1 . . . . 84 Met N . 25193 1 404 . 1 1 86 86 GLY H H 1 8.600 0.001 . 1 . . . . 85 Gly H . 25193 1 405 . 1 1 86 86 GLY C C 13 173.607 0.014 . 1 . . . . 85 Gly C . 25193 1 406 . 1 1 86 86 GLY CA C 13 45.873 0.004 . 1 . . . . 85 Gly CA . 25193 1 407 . 1 1 86 86 GLY N N 15 114.406 0.001 . 1 . . . . 85 Gly N . 25193 1 408 . 1 1 87 87 ILE H H 1 8.456 0.000 . 1 . . . . 86 Ile H . 25193 1 409 . 1 1 87 87 ILE C C 13 175.622 0.027 . 1 . . . . 86 Ile C . 25193 1 410 . 1 1 87 87 ILE CA C 13 60.589 0.053 . 1 . . . . 86 Ile CA . 25193 1 411 . 1 1 87 87 ILE CB C 13 38.753 0.048 . 1 . . . . 86 Ile CB . 25193 1 412 . 1 1 87 87 ILE N N 15 125.708 0.001 . 1 . . . . 86 Ile N . 25193 1 413 . 1 1 88 88 ASN H H 1 9.249 0.005 . 1 . . . . 87 Asn H . 25193 1 414 . 1 1 88 88 ASN CA C 13 54.680 0.000 . 1 . . . . 87 Asn CA . 25193 1 415 . 1 1 88 88 ASN CB C 13 34.954 0.000 . 1 . . . . 87 Asn CB . 25193 1 416 . 1 1 88 88 ASN N N 15 125.716 0.038 . 1 . . . . 87 Asn N . 25193 1 417 . 1 1 90 90 ARG H H 1 8.196 0.000 . 1 . . . . 89 Arg H . 25193 1 418 . 1 1 90 90 ARG C C 13 174.782 0.000 . 1 . . . . 89 Arg C . 25193 1 419 . 1 1 90 90 ARG CA C 13 54.114 0.005 . 1 . . . . 89 Arg CA . 25193 1 420 . 1 1 90 90 ARG CB C 13 34.322 0.011 . 1 . . . . 89 Arg CB . 25193 1 421 . 1 1 90 90 ARG N N 15 120.531 0.005 . 1 . . . . 89 Arg N . 25193 1 422 . 1 1 91 91 TYR H H 1 8.284 0.000 . 1 . . . . 90 Tyr H . 25193 1 423 . 1 1 91 91 TYR C C 13 174.847 0.007 . 1 . . . . 90 Tyr C . 25193 1 424 . 1 1 91 91 TYR CA C 13 56.599 0.004 . 1 . . . . 90 Tyr CA . 25193 1 425 . 1 1 91 91 TYR CB C 13 40.309 0.002 . 1 . . . . 90 Tyr CB . 25193 1 426 . 1 1 91 91 TYR N N 15 119.106 0.003 . 1 . . . . 90 Tyr N . 25193 1 427 . 1 1 92 92 TYR H H 1 8.911 0.000 . 1 . . . . 91 Tyr H . 25193 1 428 . 1 1 92 92 TYR C C 13 175.964 0.000 . 1 . . . . 91 Tyr C . 25193 1 429 . 1 1 92 92 TYR CA C 13 57.147 0.000 . 1 . . . . 91 Tyr CA . 25193 1 430 . 1 1 92 92 TYR CB C 13 41.129 0.014 . 1 . . . . 91 Tyr CB . 25193 1 431 . 1 1 92 92 TYR N N 15 119.492 0.006 . 1 . . . . 91 Tyr N . 25193 1 432 . 1 1 93 93 LYS H H 1 8.979 0.000 . 1 . . . . 92 Lys H . 25193 1 433 . 1 1 93 93 LYS C C 13 176.197 0.009 . 1 . . . . 92 Lys C . 25193 1 434 . 1 1 93 93 LYS CA C 13 56.992 0.013 . 1 . . . . 92 Lys CA . 25193 1 435 . 1 1 93 93 LYS CB C 13 31.609 0.016 . 1 . . . . 92 Lys CB . 25193 1 436 . 1 1 93 93 LYS N N 15 124.044 0.001 . 1 . . . . 92 Lys N . 25193 1 437 . 1 1 94 94 ILE H H 1 8.430 0.001 . 1 . . . . 93 Ile H . 25193 1 438 . 1 1 94 94 ILE C C 13 173.574 0.016 . 1 . . . . 93 Ile C . 25193 1 439 . 1 1 94 94 ILE CA C 13 58.725 0.024 . 1 . . . . 93 Ile CA . 25193 1 440 . 1 1 94 94 ILE CB C 13 39.444 0.005 . 1 . . . . 93 Ile CB . 25193 1 441 . 1 1 94 94 ILE N N 15 122.169 0.004 . 1 . . . . 93 Ile N . 25193 1 442 . 1 1 95 95 LEU H H 1 8.301 0.000 . 1 . . . . 94 Leu H . 25193 1 443 . 1 1 95 95 LEU C C 13 172.871 0.000 . 1 . . . . 94 Leu C . 25193 1 444 . 1 1 95 95 LEU CA C 13 51.201 0.000 . 1 . . . . 94 Leu CA . 25193 1 445 . 1 1 95 95 LEU CB C 13 44.944 0.000 . 1 . . . . 94 Leu CB . 25193 1 446 . 1 1 95 95 LEU N N 15 121.853 0.008 . 1 . . . . 94 Leu N . 25193 1 447 . 1 1 96 96 PRO CA C 13 61.814 0.000 . 1 . . . . 95 Pro CA . 25193 1 448 . 1 1 96 96 PRO CB C 13 31.655 0.000 . 1 . . . . 95 Pro CB . 25193 1 449 . 1 1 97 97 GLU H H 1 7.995 0.000 . 1 . . . . 96 Glu H . 25193 1 450 . 1 1 97 97 GLU C C 13 177.278 0.019 . 1 . . . . 96 Glu C . 25193 1 451 . 1 1 97 97 GLU CA C 13 58.709 0.002 . 1 . . . . 96 Glu CA . 25193 1 452 . 1 1 97 97 GLU CB C 13 28.450 0.018 . 1 . . . . 96 Glu CB . 25193 1 453 . 1 1 97 97 GLU N N 15 121.197 0.003 . 1 . . . . 96 Glu N . 25193 1 454 . 1 1 98 98 SER H H 1 8.031 0.001 . 1 . . . . 97 Ser H . 25193 1 455 . 1 1 98 98 SER C C 13 175.429 0.000 . 1 . . . . 97 Ser C . 25193 1 456 . 1 1 98 98 SER CA C 13 59.990 0.001 . 1 . . . . 97 Ser CA . 25193 1 457 . 1 1 98 98 SER CB C 13 61.905 0.002 . 1 . . . . 97 Ser CB . 25193 1 458 . 1 1 98 98 SER N N 15 112.999 0.004 . 1 . . . . 97 Ser N . 25193 1 459 . 1 1 99 99 ASP H H 1 8.174 0.000 . 1 . . . . 98 Asp H . 25193 1 460 . 1 1 99 99 ASP C C 13 176.127 0.012 . 1 . . . . 98 Asp C . 25193 1 461 . 1 1 99 99 ASP CA C 13 54.749 0.003 . 1 . . . . 98 Asp CA . 25193 1 462 . 1 1 99 99 ASP CB C 13 41.047 0.001 . 1 . . . . 98 Asp CB . 25193 1 463 . 1 1 99 99 ASP N N 15 121.747 0.004 . 1 . . . . 98 Asp N . 25193 1 464 . 1 1 100 100 LYS H H 1 7.602 0.000 . 1 . . . . 99 Lys H . 25193 1 465 . 1 1 100 100 LYS C C 13 177.538 0.008 . 1 . . . . 99 Lys C . 25193 1 466 . 1 1 100 100 LYS CA C 13 58.340 0.002 . 1 . . . . 99 Lys CA . 25193 1 467 . 1 1 100 100 LYS CB C 13 31.392 0.006 . 1 . . . . 99 Lys CB . 25193 1 468 . 1 1 100 100 LYS N N 15 120.776 0.001 . 1 . . . . 99 Lys N . 25193 1 469 . 1 1 101 101 GLY H H 1 8.519 0.000 . 1 . . . . 100 Gly H . 25193 1 470 . 1 1 101 101 GLY C C 13 174.657 0.011 . 1 . . . . 100 Gly C . 25193 1 471 . 1 1 101 101 GLY CA C 13 45.524 0.016 . 1 . . . . 100 Gly CA . 25193 1 472 . 1 1 101 101 GLY N N 15 109.629 0.001 . 1 . . . . 100 Gly N . 25193 1 473 . 1 1 102 102 ALA H H 1 8.012 0.000 . 1 . . . . 101 Ala H . 25193 1 474 . 1 1 102 102 ALA C C 13 177.714 0.005 . 1 . . . . 101 Ala C . 25193 1 475 . 1 1 102 102 ALA CA C 13 52.782 0.000 . 1 . . . . 101 Ala CA . 25193 1 476 . 1 1 102 102 ALA CB C 13 19.220 0.004 . 1 . . . . 101 Ala CB . 25193 1 477 . 1 1 102 102 ALA N N 15 123.826 0.005 . 1 . . . . 101 Ala N . 25193 1 478 . 1 1 103 103 VAL H H 1 7.715 0.000 . 1 . . . . 102 Val H . 25193 1 479 . 1 1 103 103 VAL C C 13 174.700 0.004 . 1 . . . . 102 Val C . 25193 1 480 . 1 1 103 103 VAL CA C 13 61.143 0.002 . 1 . . . . 102 Val CA . 25193 1 481 . 1 1 103 103 VAL CB C 13 33.551 0.020 . 1 . . . . 102 Val CB . 25193 1 482 . 1 1 103 103 VAL N N 15 118.237 0.003 . 1 . . . . 102 Val N . 25193 1 483 . 1 1 104 104 LYS H H 1 8.459 0.000 . 1 . . . . 103 Lys H . 25193 1 484 . 1 1 104 104 LYS C C 13 176.595 0.000 . 1 . . . . 103 Lys C . 25193 1 485 . 1 1 104 104 LYS CA C 13 56.167 0.008 . 1 . . . . 103 Lys CA . 25193 1 486 . 1 1 104 104 LYS CB C 13 32.254 0.006 . 1 . . . . 103 Lys CB . 25193 1 487 . 1 1 104 104 LYS N N 15 125.289 0.005 . 1 . . . . 103 Lys N . 25193 1 488 . 1 1 105 105 ALA H H 1 8.267 0.000 . 1 . . . . 104 Ala H . 25193 1 489 . 1 1 105 105 ALA C C 13 176.648 0.012 . 1 . . . . 104 Ala C . 25193 1 490 . 1 1 105 105 ALA CA C 13 51.212 0.001 . 1 . . . . 104 Ala CA . 25193 1 491 . 1 1 105 105 ALA CB C 13 19.321 0.002 . 1 . . . . 104 Ala CB . 25193 1 492 . 1 1 105 105 ALA N N 15 123.184 0.002 . 1 . . . . 104 Ala N . 25193 1 493 . 1 1 106 106 LEU H H 1 7.949 0.000 . 1 . . . . 105 Leu H . 25193 1 494 . 1 1 106 106 LEU C C 13 175.341 0.010 . 1 . . . . 105 Leu C . 25193 1 495 . 1 1 106 106 LEU CA C 13 55.969 0.011 . 1 . . . . 105 Leu CA . 25193 1 496 . 1 1 106 106 LEU CB C 13 42.402 0.002 . 1 . . . . 105 Leu CB . 25193 1 497 . 1 1 106 106 LEU N N 15 121.199 0.003 . 1 . . . . 105 Leu N . 25193 1 498 . 1 1 107 107 ARG H H 1 8.154 0.000 . 1 . . . . 106 Arg H . 25193 1 499 . 1 1 107 107 ARG C C 13 177.561 0.012 . 1 . . . . 106 Arg C . 25193 1 500 . 1 1 107 107 ARG CA C 13 54.472 0.007 . 1 . . . . 106 Arg CA . 25193 1 501 . 1 1 107 107 ARG CB C 13 30.121 0.007 . 1 . . . . 106 Arg CB . 25193 1 502 . 1 1 107 107 ARG N N 15 125.883 0.006 . 1 . . . . 106 Arg N . 25193 1 503 . 1 1 108 108 LEU H H 1 8.838 0.000 . 1 . . . . 107 Leu H . 25193 1 504 . 1 1 108 108 LEU C C 13 178.132 0.000 . 1 . . . . 107 Leu C . 25193 1 505 . 1 1 108 108 LEU CA C 13 56.624 0.011 . 1 . . . . 107 Leu CA . 25193 1 506 . 1 1 108 108 LEU CB C 13 40.690 0.010 . 1 . . . . 107 Leu CB . 25193 1 507 . 1 1 108 108 LEU N N 15 124.898 0.005 . 1 . . . . 107 Leu N . 25193 1 508 . 1 1 109 109 GLN H H 1 8.326 0.001 . 1 . . . . 108 Gln H . 25193 1 509 . 1 1 109 109 GLN C C 13 176.175 0.016 . 1 . . . . 108 Gln C . 25193 1 510 . 1 1 109 109 GLN CA C 13 58.121 0.008 . 1 . . . . 108 Gln CA . 25193 1 511 . 1 1 109 109 GLN CB C 13 26.786 0.004 . 1 . . . . 108 Gln CB . 25193 1 512 . 1 1 109 109 GLN N N 15 113.426 0.004 . 1 . . . . 108 Gln N . 25193 1 513 . 1 1 110 110 ASN H H 1 7.185 0.001 . 1 . . . . 109 Asn H . 25193 1 514 . 1 1 110 110 ASN C C 13 174.758 0.000 . 1 . . . . 109 Asn C . 25193 1 515 . 1 1 110 110 ASN CA C 13 54.641 0.005 . 1 . . . . 109 Asn CA . 25193 1 516 . 1 1 110 110 ASN CB C 13 38.051 0.017 . 1 . . . . 109 Asn CB . 25193 1 517 . 1 1 110 110 ASN N N 15 115.774 0.006 . 1 . . . . 109 Asn N . 25193 1 518 . 1 1 111 111 PHE H H 1 7.811 0.001 . 1 . . . . 110 Phe H . 25193 1 519 . 1 1 111 111 PHE C C 13 173.918 0.000 . 1 . . . . 110 Phe C . 25193 1 520 . 1 1 111 111 PHE CA C 13 56.791 0.031 . 1 . . . . 110 Phe CA . 25193 1 521 . 1 1 111 111 PHE CB C 13 39.231 0.001 . 1 . . . . 110 Phe CB . 25193 1 522 . 1 1 111 111 PHE N N 15 117.843 0.005 . 1 . . . . 110 Phe N . 25193 1 523 . 1 1 112 112 ASP H H 1 7.988 0.002 . 1 . . . . 111 Asp H . 25193 1 524 . 1 1 112 112 ASP C C 13 176.108 0.000 . 1 . . . . 111 Asp C . 25193 1 525 . 1 1 112 112 ASP CA C 13 53.510 0.003 . 1 . . . . 111 Asp CA . 25193 1 526 . 1 1 112 112 ASP CB C 13 41.336 0.000 . 1 . . . . 111 Asp CB . 25193 1 527 . 1 1 112 112 ASP N N 15 119.638 0.001 . 1 . . . . 111 Asp N . 25193 1 528 . 1 1 113 113 VAL H H 1 8.274 0.000 . 1 . . . . 112 Val H . 25193 1 529 . 1 1 113 113 VAL C C 13 176.756 0.000 . 1 . . . . 112 Val C . 25193 1 530 . 1 1 113 113 VAL CA C 13 61.726 0.000 . 1 . . . . 112 Val CA . 25193 1 531 . 1 1 113 113 VAL CB C 13 31.802 0.001 . 1 . . . . 112 Val CB . 25193 1 532 . 1 1 113 113 VAL N N 15 120.220 0.002 . 1 . . . . 112 Val N . 25193 1 533 . 1 1 114 114 THR H H 1 8.504 0.000 . 1 . . . . 113 Thr H . 25193 1 534 . 1 1 114 114 THR C C 13 174.764 0.000 . 1 . . . . 113 Thr C . 25193 1 535 . 1 1 114 114 THR CA C 13 61.506 0.063 . 1 . . . . 113 Thr CA . 25193 1 536 . 1 1 114 114 THR CB C 13 69.589 0.009 . 1 . . . . 113 Thr CB . 25193 1 537 . 1 1 114 114 THR N N 15 118.163 0.003 . 1 . . . . 113 Thr N . 25193 1 538 . 1 1 115 115 SER H H 1 8.458 0.000 . 1 . . . . 114 Ser H . 25193 1 539 . 1 1 115 115 SER C C 13 174.115 0.000 . 1 . . . . 114 Ser C . 25193 1 540 . 1 1 115 115 SER CA C 13 57.979 0.007 . 1 . . . . 114 Ser CA . 25193 1 541 . 1 1 115 115 SER CB C 13 63.300 0.008 . 1 . . . . 114 Ser CB . 25193 1 542 . 1 1 115 115 SER N N 15 118.396 0.001 . 1 . . . . 114 Ser N . 25193 1 543 . 1 1 116 116 ASP H H 1 8.422 0.000 . 1 . . . . 115 Asp H . 25193 1 544 . 1 1 116 116 ASP C C 13 175.724 0.000 . 1 . . . . 115 Asp C . 25193 1 545 . 1 1 116 116 ASP CA C 13 54.143 0.004 . 1 . . . . 115 Asp CA . 25193 1 546 . 1 1 116 116 ASP CB C 13 40.514 0.005 . 1 . . . . 115 Asp CB . 25193 1 547 . 1 1 116 116 ASP N N 15 121.658 0.003 . 1 . . . . 115 Asp N . 25193 1 548 . 1 1 117 117 ILE H H 1 7.994 0.000 . 1 . . . . 116 Ile H . 25193 1 549 . 1 1 117 117 ILE C C 13 176.012 0.018 . 1 . . . . 116 Ile C . 25193 1 550 . 1 1 117 117 ILE CA C 13 60.339 0.003 . 1 . . . . 116 Ile CA . 25193 1 551 . 1 1 117 117 ILE CB C 13 37.794 0.025 . 1 . . . . 116 Ile CB . 25193 1 552 . 1 1 117 117 ILE N N 15 120.682 0.002 . 1 . . . . 116 Ile N . 25193 1 553 . 1 1 118 118 SER H H 1 8.409 0.000 . 1 . . . . 117 Ser H . 25193 1 554 . 1 1 118 118 SER C C 13 173.872 0.011 . 1 . . . . 117 Ser C . 25193 1 555 . 1 1 118 118 SER CA C 13 57.572 0.002 . 1 . . . . 117 Ser CA . 25193 1 556 . 1 1 118 118 SER CB C 13 63.462 0.009 . 1 . . . . 117 Ser CB . 25193 1 557 . 1 1 118 118 SER N N 15 120.583 0.002 . 1 . . . . 117 Ser N . 25193 1 558 . 1 1 119 119 ASP H H 1 8.393 0.000 . 1 . . . . 118 Asp H . 25193 1 559 . 1 1 119 119 ASP C C 13 175.029 0.000 . 1 . . . . 118 Asp C . 25193 1 560 . 1 1 119 119 ASP CA C 13 54.109 0.032 . 1 . . . . 118 Asp CA . 25193 1 561 . 1 1 119 119 ASP CB C 13 41.572 0.009 . 1 . . . . 118 Asp CB . 25193 1 562 . 1 1 119 119 ASP N N 15 122.900 0.001 . 1 . . . . 118 Asp N . 25193 1 563 . 1 1 120 120 ASP H H 1 8.208 0.000 . 1 . . . . 119 Asp H . 25193 1 564 . 1 1 120 120 ASP C C 13 174.706 0.000 . 1 . . . . 119 Asp C . 25193 1 565 . 1 1 120 120 ASP CA C 13 53.756 0.000 . 1 . . . . 119 Asp CA . 25193 1 566 . 1 1 120 120 ASP CB C 13 41.469 0.094 . 1 . . . . 119 Asp CB . 25193 1 567 . 1 1 120 120 ASP N N 15 119.165 0.001 . 1 . . . . 119 Asp N . 25193 1 568 . 1 1 122 122 PHE H H 1 8.232 0.001 . 1 . . . . 121 Phe H . 25193 1 569 . 1 1 122 122 PHE CA C 13 57.437 0.000 . 1 . . . . 121 Phe CA . 25193 1 570 . 1 1 122 122 PHE CB C 13 39.579 0.000 . 1 . . . . 121 Phe CB . 25193 1 571 . 1 1 122 122 PHE N N 15 119.799 0.010 . 1 . . . . 121 Phe N . 25193 1 572 . 1 1 124 124 ILE H H 1 8.845 0.000 . 1 . . . . 123 Ile H . 25193 1 573 . 1 1 124 124 ILE C C 13 176.245 0.000 . 1 . . . . 123 Ile C . 25193 1 574 . 1 1 124 124 ILE CA C 13 62.706 0.003 . 1 . . . . 123 Ile CA . 25193 1 575 . 1 1 124 124 ILE CB C 13 37.116 0.002 . 1 . . . . 123 Ile CB . 25193 1 576 . 1 1 124 124 ILE N N 15 126.840 0.012 . 1 . . . . 123 Ile N . 25193 1 577 . 1 1 125 125 ASP H H 1 8.723 0.001 . 1 . . . . 124 Asp H . 25193 1 578 . 1 1 125 125 ASP C C 13 176.436 0.045 . 1 . . . . 124 Asp C . 25193 1 579 . 1 1 125 125 ASP CA C 13 55.399 0.014 . 1 . . . . 124 Asp CA . 25193 1 580 . 1 1 125 125 ASP CB C 13 42.553 0.007 . 1 . . . . 124 Asp CB . 25193 1 581 . 1 1 125 125 ASP N N 15 131.123 0.005 . 1 . . . . 124 Asp N . 25193 1 582 . 1 1 126 126 LYS H H 1 8.560 0.000 . 1 . . . . 125 Lys H . 25193 1 583 . 1 1 126 126 LYS C C 13 177.179 0.001 . 1 . . . . 125 Lys C . 25193 1 584 . 1 1 126 126 LYS CA C 13 58.051 0.001 . 1 . . . . 125 Lys CA . 25193 1 585 . 1 1 126 126 LYS CB C 13 31.668 0.009 . 1 . . . . 125 Lys CB . 25193 1 586 . 1 1 126 126 LYS N N 15 123.122 0.017 . 1 . . . . 125 Lys N . 25193 1 587 . 1 1 127 127 ASN H H 1 8.415 0.001 . 1 . . . . 126 Asn H . 25193 1 588 . 1 1 127 127 ASN C C 13 174.800 0.000 . 1 . . . . 126 Asn C . 25193 1 589 . 1 1 127 127 ASN CA C 13 53.927 0.004 . 1 . . . . 126 Asn CA . 25193 1 590 . 1 1 127 127 ASN CB C 13 39.643 0.013 . 1 . . . . 126 Asn CB . 25193 1 591 . 1 1 127 127 ASN N N 15 116.199 0.005 . 1 . . . . 126 Asn N . 25193 1 592 . 1 1 128 128 ASP H H 1 7.831 0.000 . 1 . . . . 127 Asp H . 25193 1 593 . 1 1 128 128 ASP C C 13 174.912 0.023 . 1 . . . . 127 Asp C . 25193 1 594 . 1 1 128 128 ASP CA C 13 52.796 0.001 . 1 . . . . 127 Asp CA . 25193 1 595 . 1 1 128 128 ASP CB C 13 41.538 0.009 . 1 . . . . 127 Asp CB . 25193 1 596 . 1 1 128 128 ASP N N 15 119.597 0.006 . 1 . . . . 127 Asp N . 25193 1 597 . 1 1 129 129 SER H H 1 8.658 0.000 . 1 . . . . 128 Ser H . 25193 1 598 . 1 1 129 129 SER C C 13 172.740 0.018 . 1 . . . . 128 Ser C . 25193 1 599 . 1 1 129 129 SER CA C 13 60.376 0.032 . 1 . . . . 128 Ser CA . 25193 1 600 . 1 1 129 129 SER CB C 13 63.093 0.003 . 1 . . . . 128 Ser CB . 25193 1 601 . 1 1 129 129 SER N N 15 119.216 0.003 . 1 . . . . 128 Ser N . 25193 1 602 . 1 1 130 130 ARG H H 1 8.201 0.001 . 1 . . . . 129 Arg H . 25193 1 603 . 1 1 130 130 ARG C C 13 174.112 0.000 . 1 . . . . 129 Arg C . 25193 1 604 . 1 1 130 130 ARG CA C 13 55.119 0.000 . 1 . . . . 129 Arg CA . 25193 1 605 . 1 1 130 130 ARG CB C 13 28.120 0.006 . 1 . . . . 129 Arg CB . 25193 1 606 . 1 1 130 130 ARG N N 15 116.858 0.004 . 1 . . . . 129 Arg N . 25193 1 607 . 1 1 131 131 LYS H H 1 8.044 0.001 . 1 . . . . 130 Lys H . 25193 1 608 . 1 1 131 131 LYS C C 13 174.424 0.000 . 1 . . . . 130 Lys C . 25193 1 609 . 1 1 131 131 LYS CA C 13 53.727 0.005 . 1 . . . . 130 Lys CA . 25193 1 610 . 1 1 131 131 LYS CB C 13 35.110 0.003 . 1 . . . . 130 Lys CB . 25193 1 611 . 1 1 131 131 LYS N N 15 119.111 0.009 . 1 . . . . 130 Lys N . 25193 1 612 . 1 1 132 132 ILE H H 1 9.114 0.000 . 1 . . . . 131 Ile H . 25193 1 613 . 1 1 132 132 ILE C C 13 174.367 0.011 . 1 . . . . 131 Ile C . 25193 1 614 . 1 1 132 132 ILE CA C 13 57.496 0.012 . 1 . . . . 131 Ile CA . 25193 1 615 . 1 1 132 132 ILE CB C 13 41.342 0.024 . 1 . . . . 131 Ile CB . 25193 1 616 . 1 1 132 132 ILE N N 15 119.264 0.002 . 1 . . . . 131 Ile N . 25193 1 617 . 1 1 133 133 ASP H H 1 9.804 0.000 . 1 . . . . 132 Asp H . 25193 1 618 . 1 1 133 133 ASP C C 13 174.767 0.000 . 1 . . . . 132 Asp C . 25193 1 619 . 1 1 133 133 ASP CA C 13 51.553 0.019 . 1 . . . . 132 Asp CA . 25193 1 620 . 1 1 133 133 ASP CB C 13 39.661 0.020 . 1 . . . . 132 Asp CB . 25193 1 621 . 1 1 133 133 ASP N N 15 126.606 0.005 . 1 . . . . 132 Asp N . 25193 1 622 . 1 1 134 134 TYR H H 1 8.847 0.001 . 1 . . . . 133 Tyr H . 25193 1 623 . 1 1 134 134 TYR C C 13 174.894 0.000 . 1 . . . . 133 Tyr C . 25193 1 624 . 1 1 134 134 TYR CA C 13 57.990 0.021 . 1 . . . . 133 Tyr CA . 25193 1 625 . 1 1 134 134 TYR CB C 13 40.064 0.034 . 1 . . . . 133 Tyr CB . 25193 1 626 . 1 1 134 134 TYR N N 15 122.915 0.004 . 1 . . . . 133 Tyr N . 25193 1 627 . 1 1 135 135 MET H H 1 8.991 0.001 . 1 . . . . 134 Met H . 25193 1 628 . 1 1 135 135 MET C C 13 175.424 0.022 . 1 . . . . 134 Met C . 25193 1 629 . 1 1 135 135 MET CA C 13 55.691 0.009 . 1 . . . . 134 Met CA . 25193 1 630 . 1 1 135 135 MET CB C 13 29.549 0.003 . 1 . . . . 134 Met CB . 25193 1 631 . 1 1 135 135 MET N N 15 127.305 0.003 . 1 . . . . 134 Met N . 25193 1 632 . 1 1 136 136 GLY H H 1 8.734 0.001 . 1 . . . . 135 Gly H . 25193 1 633 . 1 1 136 136 GLY C C 13 173.808 0.023 . 1 . . . . 135 Gly C . 25193 1 634 . 1 1 136 136 GLY CA C 13 45.113 0.011 . 1 . . . . 135 Gly CA . 25193 1 635 . 1 1 136 136 GLY N N 15 104.749 0.011 . 1 . . . . 135 Gly N . 25193 1 636 . 1 1 137 137 ASN H H 1 8.255 0.000 . 1 . . . . 136 Asn H . 25193 1 637 . 1 1 137 137 ASN C C 13 173.348 0.000 . 1 . . . . 136 Asn C . 25193 1 638 . 1 1 137 137 ASN CA C 13 51.088 0.000 . 1 . . . . 136 Asn CA . 25193 1 639 . 1 1 137 137 ASN CB C 13 41.653 0.000 . 1 . . . . 136 Asn CB . 25193 1 640 . 1 1 137 137 ASN N N 15 118.394 0.010 . 1 . . . . 136 Asn N . 25193 1 641 . 1 1 138 138 ILE H H 1 8.752 0.000 . 1 . . . . 137 Ile H . 25193 1 642 . 1 1 138 138 ILE C C 13 174.009 0.000 . 1 . . . . 137 Ile C . 25193 1 643 . 1 1 138 138 ILE CA C 13 60.371 0.008 . 1 . . . . 137 Ile CA . 25193 1 644 . 1 1 138 138 ILE CB C 13 38.904 0.019 . 1 . . . . 137 Ile CB . 25193 1 645 . 1 1 138 138 ILE N N 15 121.916 0.001 . 1 . . . . 137 Ile N . 25193 1 646 . 1 1 139 139 TYR H H 1 9.628 0.000 . 1 . . . . 138 Tyr H . 25193 1 647 . 1 1 139 139 TYR C C 13 175.574 0.012 . 1 . . . . 138 Tyr C . 25193 1 648 . 1 1 139 139 TYR CA C 13 55.777 0.004 . 1 . . . . 138 Tyr CA . 25193 1 649 . 1 1 139 139 TYR CB C 13 39.922 0.000 . 1 . . . . 138 Tyr CB . 25193 1 650 . 1 1 139 139 TYR N N 15 124.654 0.008 . 1 . . . . 138 Tyr N . 25193 1 651 . 1 1 140 140 SER H H 1 8.972 0.001 . 1 . . . . 139 Ser H . 25193 1 652 . 1 1 140 140 SER C C 13 174.759 0.000 . 1 . . . . 139 Ser C . 25193 1 653 . 1 1 140 140 SER CA C 13 56.550 0.005 . 1 . . . . 139 Ser CA . 25193 1 654 . 1 1 140 140 SER CB C 13 63.777 0.001 . 1 . . . . 139 Ser CB . 25193 1 655 . 1 1 140 140 SER N N 15 116.733 0.008 . 1 . . . . 139 Ser N . 25193 1 656 . 1 1 141 141 ILE H H 1 8.914 0.001 . 1 . . . . 140 Ile H . 25193 1 657 . 1 1 141 141 ILE C C 13 175.026 0.017 . 1 . . . . 140 Ile C . 25193 1 658 . 1 1 141 141 ILE CA C 13 63.113 0.003 . 1 . . . . 140 Ile CA . 25193 1 659 . 1 1 141 141 ILE CB C 13 36.657 0.001 . 1 . . . . 140 Ile CB . 25193 1 660 . 1 1 141 141 ILE N N 15 128.165 0.006 . 1 . . . . 140 Ile N . 25193 1 661 . 1 1 142 142 SER H H 1 8.584 0.000 . 1 . . . . 141 Ser H . 25193 1 662 . 1 1 142 142 SER C C 13 172.524 0.015 . 1 . . . . 141 Ser C . 25193 1 663 . 1 1 142 142 SER CA C 13 58.012 0.006 . 1 . . . . 141 Ser CA . 25193 1 664 . 1 1 142 142 SER CB C 13 65.829 0.000 . 1 . . . . 141 Ser CB . 25193 1 665 . 1 1 142 142 SER N N 15 126.345 0.006 . 1 . . . . 141 Ser N . 25193 1 666 . 1 1 143 143 ASP H H 1 8.255 0.000 . 1 . . . . 142 Asp H . 25193 1 667 . 1 1 143 143 ASP C C 13 177.497 0.004 . 1 . . . . 142 Asp C . 25193 1 668 . 1 1 143 143 ASP CA C 13 53.554 0.001 . 1 . . . . 142 Asp CA . 25193 1 669 . 1 1 143 143 ASP CB C 13 40.688 0.018 . 1 . . . . 142 Asp CB . 25193 1 670 . 1 1 143 143 ASP N N 15 114.371 0.002 . 1 . . . . 142 Asp N . 25193 1 671 . 1 1 144 144 THR H H 1 8.525 0.000 . 1 . . . . 143 Thr H . 25193 1 672 . 1 1 144 144 THR C C 13 173.397 0.007 . 1 . . . . 143 Thr C . 25193 1 673 . 1 1 144 144 THR CA C 13 63.092 0.036 . 1 . . . . 143 Thr CA . 25193 1 674 . 1 1 144 144 THR CB C 13 69.285 0.016 . 1 . . . . 143 Thr CB . 25193 1 675 . 1 1 144 144 THR N N 15 121.193 0.001 . 1 . . . . 143 Thr N . 25193 1 676 . 1 1 145 145 THR H H 1 8.753 0.000 . 1 . . . . 144 Thr H . 25193 1 677 . 1 1 145 145 THR C C 13 174.491 0.000 . 1 . . . . 144 Thr C . 25193 1 678 . 1 1 145 145 THR CA C 13 62.615 0.007 . 1 . . . . 144 Thr CA . 25193 1 679 . 1 1 145 145 THR CB C 13 69.704 0.014 . 1 . . . . 144 Thr CB . 25193 1 680 . 1 1 145 145 THR N N 15 125.756 0.006 . 1 . . . . 144 Thr N . 25193 1 681 . 1 1 146 146 VAL H H 1 8.400 0.000 . 1 . . . . 145 Val H . 25193 1 682 . 1 1 146 146 VAL C C 13 174.574 0.017 . 1 . . . . 145 Val C . 25193 1 683 . 1 1 146 146 VAL CA C 13 61.505 0.005 . 1 . . . . 145 Val CA . 25193 1 684 . 1 1 146 146 VAL CB C 13 31.701 0.017 . 1 . . . . 145 Val CB . 25193 1 685 . 1 1 146 146 VAL N N 15 129.635 0.003 . 1 . . . . 145 Val N . 25193 1 686 . 1 1 147 147 SER H H 1 8.654 0.000 . 1 . . . . 146 Ser H . 25193 1 687 . 1 1 147 147 SER C C 13 175.107 0.010 . 1 . . . . 146 Ser C . 25193 1 688 . 1 1 147 147 SER CA C 13 57.913 0.003 . 1 . . . . 146 Ser CA . 25193 1 689 . 1 1 147 147 SER CB C 13 64.050 0.011 . 1 . . . . 146 Ser CB . 25193 1 690 . 1 1 147 147 SER N N 15 123.443 0.004 . 1 . . . . 146 Ser N . 25193 1 691 . 1 1 148 148 ASP H H 1 8.736 0.000 . 1 . . . . 147 Asp H . 25193 1 692 . 1 1 148 148 ASP C C 13 178.704 0.002 . 1 . . . . 147 Asp C . 25193 1 693 . 1 1 148 148 ASP CA C 13 57.272 0.004 . 1 . . . . 147 Asp CA . 25193 1 694 . 1 1 148 148 ASP CB C 13 39.768 0.004 . 1 . . . . 147 Asp CB . 25193 1 695 . 1 1 148 148 ASP N N 15 121.325 0.005 . 1 . . . . 147 Asp N . 25193 1 696 . 1 1 149 149 GLU H H 1 8.490 0.000 . 1 . . . . 148 Glu H . 25193 1 697 . 1 1 149 149 GLU C C 13 177.265 0.007 . 1 . . . . 148 Glu C . 25193 1 698 . 1 1 149 149 GLU CA C 13 58.095 0.011 . 1 . . . . 148 Glu CA . 25193 1 699 . 1 1 149 149 GLU CB C 13 28.501 0.011 . 1 . . . . 148 Glu CB . 25193 1 700 . 1 1 149 149 GLU N N 15 116.230 0.003 . 1 . . . . 148 Glu N . 25193 1 701 . 1 1 150 150 GLU H H 1 7.537 0.000 . 1 . . . . 149 Glu H . 25193 1 702 . 1 1 150 150 GLU C C 13 175.802 0.009 . 1 . . . . 149 Glu C . 25193 1 703 . 1 1 150 150 GLU CA C 13 55.809 0.000 . 1 . . . . 149 Glu CA . 25193 1 704 . 1 1 150 150 GLU CB C 13 30.817 0.005 . 1 . . . . 149 Glu CB . 25193 1 705 . 1 1 150 150 GLU N N 15 117.173 0.003 . 1 . . . . 149 Glu N . 25193 1 706 . 1 1 151 151 LEU H H 1 7.164 0.000 . 1 . . . . 150 Leu H . 25193 1 707 . 1 1 151 151 LEU C C 13 176.878 0.008 . 1 . . . . 150 Leu C . 25193 1 708 . 1 1 151 151 LEU CA C 13 56.048 0.011 . 1 . . . . 150 Leu CA . 25193 1 709 . 1 1 151 151 LEU CB C 13 41.431 0.002 . 1 . . . . 150 Leu CB . 25193 1 710 . 1 1 151 151 LEU N N 15 121.207 0.004 . 1 . . . . 150 Leu N . 25193 1 711 . 1 1 152 152 GLY H H 1 8.714 0.000 . 1 . . . . 151 Gly H . 25193 1 712 . 1 1 152 152 GLY C C 13 174.107 0.002 . 1 . . . . 151 Gly C . 25193 1 713 . 1 1 152 152 GLY CA C 13 43.549 0.003 . 1 . . . . 151 Gly CA . 25193 1 714 . 1 1 152 152 GLY N N 15 114.465 0.009 . 1 . . . . 151 Gly N . 25193 1 715 . 1 1 153 153 GLU H H 1 8.430 0.000 . 1 . . . . 152 Glu H . 25193 1 716 . 1 1 153 153 GLU C C 13 176.702 0.010 . 1 . . . . 152 Glu C . 25193 1 717 . 1 1 153 153 GLU CA C 13 55.957 0.010 . 1 . . . . 152 Glu CA . 25193 1 718 . 1 1 153 153 GLU CB C 13 30.675 0.005 . 1 . . . . 152 Glu CB . 25193 1 719 . 1 1 153 153 GLU N N 15 122.857 0.003 . 1 . . . . 152 Glu N . 25193 1 720 . 1 1 154 154 TYR H H 1 8.754 0.000 . 1 . . . . 153 Tyr H . 25193 1 721 . 1 1 154 154 TYR C C 13 174.116 0.000 . 1 . . . . 153 Tyr C . 25193 1 722 . 1 1 154 154 TYR CA C 13 59.466 0.000 . 1 . . . . 153 Tyr CA . 25193 1 723 . 1 1 154 154 TYR CB C 13 38.251 0.002 . 1 . . . . 153 Tyr CB . 25193 1 724 . 1 1 154 154 TYR N N 15 125.005 0.002 . 1 . . . . 153 Tyr N . 25193 1 725 . 1 1 155 155 GLN H H 1 8.339 0.000 . 1 . . . . 154 Gln H . 25193 1 726 . 1 1 155 155 GLN C C 13 174.172 0.000 . 1 . . . . 154 Gln C . 25193 1 727 . 1 1 155 155 GLN CA C 13 54.764 0.009 . 1 . . . . 154 Gln CA . 25193 1 728 . 1 1 155 155 GLN CB C 13 29.506 0.000 . 1 . . . . 154 Gln CB . 25193 1 729 . 1 1 155 155 GLN N N 15 123.113 0.010 . 1 . . . . 154 Gln N . 25193 1 730 . 1 1 156 156 ASP H H 1 7.091 0.001 . 1 . . . . 155 Asp H . 25193 1 731 . 1 1 156 156 ASP C C 13 172.859 0.019 . 1 . . . . 155 Asp C . 25193 1 732 . 1 1 156 156 ASP CA C 13 52.488 0.007 . 1 . . . . 155 Asp CA . 25193 1 733 . 1 1 156 156 ASP CB C 13 43.331 0.006 . 1 . . . . 155 Asp CB . 25193 1 734 . 1 1 156 156 ASP N N 15 115.047 0.009 . 1 . . . . 155 Asp N . 25193 1 735 . 1 1 157 157 VAL H H 1 9.633 0.001 . 1 . . . . 156 Val H . 25193 1 736 . 1 1 157 157 VAL C C 13 173.160 0.011 . 1 . . . . 156 Val C . 25193 1 737 . 1 1 157 157 VAL CA C 13 59.651 0.008 . 1 . . . . 156 Val CA . 25193 1 738 . 1 1 157 157 VAL CB C 13 33.913 0.000 . 1 . . . . 156 Val CB . 25193 1 739 . 1 1 157 157 VAL N N 15 117.489 0.008 . 1 . . . . 156 Val N . 25193 1 740 . 1 1 158 158 LEU H H 1 8.450 0.000 . 1 . . . . 157 Leu H . 25193 1 741 . 1 1 158 158 LEU C C 13 176.684 0.014 . 1 . . . . 157 Leu C . 25193 1 742 . 1 1 158 158 LEU CA C 13 56.139 0.007 . 1 . . . . 157 Leu CA . 25193 1 743 . 1 1 158 158 LEU CB C 13 41.055 0.024 . 1 . . . . 157 Leu CB . 25193 1 744 . 1 1 158 158 LEU N N 15 127.078 0.006 . 1 . . . . 157 Leu N . 25193 1 745 . 1 1 159 159 ALA H H 1 7.757 0.000 . 1 . . . . 158 Ala H . 25193 1 746 . 1 1 159 159 ALA C C 13 175.836 0.000 . 1 . . . . 158 Ala C . 25193 1 747 . 1 1 159 159 ALA CA C 13 52.374 0.013 . 1 . . . . 158 Ala CA . 25193 1 748 . 1 1 159 159 ALA CB C 13 15.866 0.021 . 1 . . . . 158 Ala CB . 25193 1 749 . 1 1 159 159 ALA N N 15 120.053 0.007 . 1 . . . . 158 Ala N . 25193 1 750 . 1 1 160 160 GLU H H 1 7.830 0.001 . 1 . . . . 159 Glu H . 25193 1 751 . 1 1 160 160 GLU C C 13 174.071 0.000 . 1 . . . . 159 Glu C . 25193 1 752 . 1 1 160 160 GLU CA C 13 54.610 0.026 . 1 . . . . 159 Glu CA . 25193 1 753 . 1 1 160 160 GLU CB C 13 35.398 0.000 . 1 . . . . 159 Glu CB . 25193 1 754 . 1 1 160 160 GLU N N 15 115.601 0.022 . 1 . . . . 159 Glu N . 25193 1 755 . 1 1 161 161 VAL H H 1 8.830 0.000 . 1 . . . . 160 Val H . 25193 1 756 . 1 1 161 161 VAL CA C 13 60.429 0.005 . 1 . . . . 160 Val CA . 25193 1 757 . 1 1 161 161 VAL CB C 13 34.566 0.048 . 1 . . . . 160 Val CB . 25193 1 758 . 1 1 161 161 VAL N N 15 120.409 0.010 . 1 . . . . 160 Val N . 25193 1 759 . 1 1 162 162 ARG H H 1 9.351 0.000 . 1 . . . . 161 Arg H . 25193 1 760 . 1 1 162 162 ARG C C 13 174.157 0.000 . 1 . . . . 161 Arg C . 25193 1 761 . 1 1 162 162 ARG CA C 13 54.249 0.000 . 1 . . . . 161 Arg CA . 25193 1 762 . 1 1 162 162 ARG CB C 13 34.013 0.000 . 1 . . . . 161 Arg CB . 25193 1 763 . 1 1 162 162 ARG N N 15 122.912 0.007 . 1 . . . . 161 Arg N . 25193 1 764 . 1 1 164 164 PHE H H 1 8.781 0.000 . 1 . . . . 163 Phe H . 25193 1 765 . 1 1 164 164 PHE C C 13 173.617 0.010 . 1 . . . . 163 Phe C . 25193 1 766 . 1 1 164 164 PHE CA C 13 54.069 0.020 . 1 . . . . 163 Phe CA . 25193 1 767 . 1 1 164 164 PHE CB C 13 41.888 0.031 . 1 . . . . 163 Phe CB . 25193 1 768 . 1 1 164 164 PHE N N 15 121.454 0.005 . 1 . . . . 163 Phe N . 25193 1 769 . 1 1 165 165 ASP H H 1 8.442 0.000 . 1 . . . . 164 Asp H . 25193 1 770 . 1 1 165 165 ASP C C 13 177.676 0.004 . 1 . . . . 164 Asp C . 25193 1 771 . 1 1 165 165 ASP CA C 13 54.025 0.024 . 1 . . . . 164 Asp CA . 25193 1 772 . 1 1 165 165 ASP CB C 13 42.345 0.008 . 1 . . . . 164 Asp CB . 25193 1 773 . 1 1 165 165 ASP N N 15 120.038 0.005 . 1 . . . . 164 Asp N . 25193 1 774 . 1 1 166 166 SER H H 1 8.562 0.000 . 1 . . . . 165 Ser H . 25193 1 775 . 1 1 166 166 SER C C 13 174.733 0.010 . 1 . . . . 165 Ser C . 25193 1 776 . 1 1 166 166 SER CA C 13 60.869 0.002 . 1 . . . . 165 Ser CA . 25193 1 777 . 1 1 166 166 SER CB C 13 62.635 0.003 . 1 . . . . 165 Ser CB . 25193 1 778 . 1 1 166 166 SER N N 15 123.296 0.008 . 1 . . . . 165 Ser N . 25193 1 779 . 1 1 167 167 VAL H H 1 8.347 0.000 . 1 . . . . 166 Val H . 25193 1 780 . 1 1 167 167 VAL C C 13 177.503 0.004 . 1 . . . . 166 Val C . 25193 1 781 . 1 1 167 167 VAL CA C 13 64.414 0.006 . 1 . . . . 166 Val CA . 25193 1 782 . 1 1 167 167 VAL CB C 13 31.195 0.000 . 1 . . . . 166 Val CB . 25193 1 783 . 1 1 167 167 VAL N N 15 119.260 0.003 . 1 . . . . 166 Val N . 25193 1 784 . 1 1 168 168 SER H H 1 8.361 0.000 . 1 . . . . 167 Ser H . 25193 1 785 . 1 1 168 168 SER C C 13 176.230 0.003 . 1 . . . . 167 Ser C . 25193 1 786 . 1 1 168 168 SER CA C 13 58.541 0.000 . 1 . . . . 167 Ser CA . 25193 1 787 . 1 1 168 168 SER CB C 13 65.146 0.005 . 1 . . . . 167 Ser CB . 25193 1 788 . 1 1 168 168 SER N N 15 113.701 0.007 . 1 . . . . 167 Ser N . 25193 1 789 . 1 1 169 169 GLY H H 1 8.683 0.001 . 1 . . . . 168 Gly H . 25193 1 790 . 1 1 169 169 GLY C C 13 174.379 0.013 . 1 . . . . 168 Gly C . 25193 1 791 . 1 1 169 169 GLY CA C 13 45.003 0.012 . 1 . . . . 168 Gly CA . 25193 1 792 . 1 1 169 169 GLY N N 15 110.812 0.006 . 1 . . . . 168 Gly N . 25193 1 793 . 1 1 170 170 LYS H H 1 8.142 0.000 . 1 . . . . 169 Lys H . 25193 1 794 . 1 1 170 170 LYS C C 13 177.034 0.011 . 1 . . . . 169 Lys C . 25193 1 795 . 1 1 170 170 LYS CA C 13 56.810 0.010 . 1 . . . . 169 Lys CA . 25193 1 796 . 1 1 170 170 LYS CB C 13 32.026 0.004 . 1 . . . . 169 Lys CB . 25193 1 797 . 1 1 170 170 LYS N N 15 123.060 0.002 . 1 . . . . 169 Lys N . 25193 1 798 . 1 1 171 171 SER H H 1 9.028 0.000 . 1 . . . . 170 Ser H . 25193 1 799 . 1 1 171 171 SER C C 13 174.312 0.019 . 1 . . . . 170 Ser C . 25193 1 800 . 1 1 171 171 SER CA C 13 58.789 0.003 . 1 . . . . 170 Ser CA . 25193 1 801 . 1 1 171 171 SER CB C 13 63.210 0.004 . 1 . . . . 170 Ser CB . 25193 1 802 . 1 1 171 171 SER N N 15 121.767 0.003 . 1 . . . . 170 Ser N . 25193 1 803 . 1 1 172 172 ILE H H 1 8.982 0.001 . 1 . . . . 171 Ile H . 25193 1 804 . 1 1 172 172 ILE C C 13 174.745 0.000 . 1 . . . . 171 Ile C . 25193 1 805 . 1 1 172 172 ILE CA C 13 57.339 0.000 . 1 . . . . 171 Ile CA . 25193 1 806 . 1 1 172 172 ILE CB C 13 38.374 0.000 . 1 . . . . 171 Ile CB . 25193 1 807 . 1 1 172 172 ILE N N 15 126.042 0.002 . 1 . . . . 171 Ile N . 25193 1 808 . 1 1 173 173 PRO C C 13 177.351 0.000 . 1 . . . . 172 Pro C . 25193 1 809 . 1 1 173 173 PRO CA C 13 62.882 0.000 . 1 . . . . 172 Pro CA . 25193 1 810 . 1 1 173 173 PRO CB C 13 31.631 0.000 . 1 . . . . 172 Pro CB . 25193 1 811 . 1 1 174 174 ARG H H 1 8.470 0.000 . 1 . . . . 173 Arg H . 25193 1 812 . 1 1 174 174 ARG C C 13 178.188 0.007 . 1 . . . . 173 Arg C . 25193 1 813 . 1 1 174 174 ARG CA C 13 57.535 0.006 . 1 . . . . 173 Arg CA . 25193 1 814 . 1 1 174 174 ARG CB C 13 28.788 0.028 . 1 . . . . 173 Arg CB . 25193 1 815 . 1 1 174 174 ARG N N 15 122.696 0.005 . 1 . . . . 173 Arg N . 25193 1 816 . 1 1 175 175 SER H H 1 8.138 0.000 . 1 . . . . 174 Ser H . 25193 1 817 . 1 1 175 175 SER C C 13 175.649 0.000 . 1 . . . . 174 Ser C . 25193 1 818 . 1 1 175 175 SER CA C 13 59.818 0.019 . 1 . . . . 174 Ser CA . 25193 1 819 . 1 1 175 175 SER CB C 13 61.696 0.012 . 1 . . . . 174 Ser CB . 25193 1 820 . 1 1 175 175 SER N N 15 112.926 0.004 . 1 . . . . 174 Ser N . 25193 1 821 . 1 1 176 176 GLU H H 1 8.182 0.000 . 1 . . . . 175 Glu H . 25193 1 822 . 1 1 176 176 GLU C C 13 177.789 0.000 . 1 . . . . 175 Glu C . 25193 1 823 . 1 1 176 176 GLU CA C 13 55.349 0.014 . 1 . . . . 175 Glu CA . 25193 1 824 . 1 1 176 176 GLU CB C 13 29.546 0.015 . 1 . . . . 175 Glu CB . 25193 1 825 . 1 1 176 176 GLU N N 15 119.578 0.006 . 1 . . . . 175 Glu N . 25193 1 826 . 1 1 177 177 TRP H H 1 7.854 0.000 . 1 . . . . 176 Trp H . 25193 1 827 . 1 1 177 177 TRP C C 13 177.721 0.007 . 1 . . . . 176 Trp C . 25193 1 828 . 1 1 177 177 TRP CA C 13 58.109 0.004 . 1 . . . . 176 Trp CA . 25193 1 829 . 1 1 177 177 TRP CB C 13 28.383 0.009 . 1 . . . . 176 Trp CB . 25193 1 830 . 1 1 177 177 TRP N N 15 121.354 0.005 . 1 . . . . 176 Trp N . 25193 1 831 . 1 1 178 178 GLY H H 1 8.670 0.000 . 1 . . . . 177 Gly H . 25193 1 832 . 1 1 178 178 GLY C C 13 174.212 0.010 . 1 . . . . 177 Gly C . 25193 1 833 . 1 1 178 178 GLY CA C 13 45.122 0.006 . 1 . . . . 177 Gly CA . 25193 1 834 . 1 1 178 178 GLY N N 15 107.650 0.005 . 1 . . . . 177 Gly N . 25193 1 835 . 1 1 179 179 ARG H H 1 7.639 0.000 . 1 . . . . 178 Arg H . 25193 1 836 . 1 1 179 179 ARG C C 13 176.378 0.010 . 1 . . . . 178 Arg C . 25193 1 837 . 1 1 179 179 ARG CA C 13 55.865 0.016 . 1 . . . . 178 Arg CA . 25193 1 838 . 1 1 179 179 ARG CB C 13 29.794 0.006 . 1 . . . . 178 Arg CB . 25193 1 839 . 1 1 179 179 ARG N N 15 120.428 0.002 . 1 . . . . 178 Arg N . 25193 1 840 . 1 1 180 180 ILE H H 1 8.180 0.000 . 1 . . . . 179 Ile H . 25193 1 841 . 1 1 180 180 ILE C C 13 175.986 0.011 . 1 . . . . 179 Ile C . 25193 1 842 . 1 1 180 180 ILE CA C 13 60.812 0.005 . 1 . . . . 179 Ile CA . 25193 1 843 . 1 1 180 180 ILE CB C 13 37.890 0.003 . 1 . . . . 179 Ile CB . 25193 1 844 . 1 1 180 180 ILE N N 15 122.184 0.005 . 1 . . . . 179 Ile N . 25193 1 845 . 1 1 181 181 ASP H H 1 8.458 0.000 . 1 . . . . 180 Asp H . 25193 1 846 . 1 1 181 181 ASP C C 13 176.600 0.000 . 1 . . . . 180 Asp C . 25193 1 847 . 1 1 181 181 ASP CA C 13 53.897 0.007 . 1 . . . . 180 Asp CA . 25193 1 848 . 1 1 181 181 ASP CB C 13 40.799 0.005 . 1 . . . . 180 Asp CB . 25193 1 849 . 1 1 181 181 ASP N N 15 124.155 0.004 . 1 . . . . 180 Asp N . 25193 1 850 . 1 1 182 182 LYS H H 1 8.343 0.000 . 1 . . . . 181 Lys H . 25193 1 851 . 1 1 182 182 LYS C C 13 176.672 0.000 . 1 . . . . 181 Lys C . 25193 1 852 . 1 1 182 182 LYS CA C 13 56.698 0.003 . 1 . . . . 181 Lys CA . 25193 1 853 . 1 1 182 182 LYS CB C 13 31.841 0.012 . 1 . . . . 181 Lys CB . 25193 1 854 . 1 1 182 182 LYS N N 15 121.663 0.003 . 1 . . . . 181 Lys N . 25193 1 855 . 1 1 183 183 ASP H H 1 8.311 0.000 . 1 . . . . 182 Asp H . 25193 1 856 . 1 1 183 183 ASP C C 13 176.930 0.023 . 1 . . . . 182 Asp C . 25193 1 857 . 1 1 183 183 ASP CA C 13 54.226 0.007 . 1 . . . . 182 Asp CA . 25193 1 858 . 1 1 183 183 ASP CB C 13 40.648 0.008 . 1 . . . . 182 Asp CB . 25193 1 859 . 1 1 183 183 ASP N N 15 119.685 0.004 . 1 . . . . 182 Asp N . 25193 1 860 . 1 1 184 184 GLY H H 1 8.301 0.000 . 1 . . . . 183 Gly H . 25193 1 861 . 1 1 184 184 GLY C C 13 174.944 0.000 . 1 . . . . 183 Gly C . 25193 1 862 . 1 1 184 184 GLY CA C 13 45.364 0.001 . 1 . . . . 183 Gly CA . 25193 1 863 . 1 1 184 184 GLY N N 15 109.317 0.007 . 1 . . . . 183 Gly N . 25193 1 864 . 1 1 185 185 SER H H 1 8.370 0.000 . 1 . . . . 184 Ser H . 25193 1 865 . 1 1 185 185 SER C C 13 174.898 0.043 . 1 . . . . 184 Ser C . 25193 1 866 . 1 1 185 185 SER CA C 13 58.821 0.007 . 1 . . . . 184 Ser CA . 25193 1 867 . 1 1 185 185 SER CB C 13 63.103 0.020 . 1 . . . . 184 Ser CB . 25193 1 868 . 1 1 185 185 SER N N 15 116.135 0.003 . 1 . . . . 184 Ser N . 25193 1 869 . 1 1 186 186 ASN H H 1 8.558 0.000 . 1 . . . . 185 Asn H . 25193 1 870 . 1 1 186 186 ASN C C 13 175.637 0.006 . 1 . . . . 185 Asn C . 25193 1 871 . 1 1 186 186 ASN CA C 13 53.245 0.000 . 1 . . . . 185 Asn CA . 25193 1 872 . 1 1 186 186 ASN CB C 13 38.213 0.003 . 1 . . . . 185 Asn CB . 25193 1 873 . 1 1 186 186 ASN N N 15 120.138 0.006 . 1 . . . . 185 Asn N . 25193 1 874 . 1 1 187 187 SER H H 1 8.206 0.000 . 1 . . . . 186 Ser H . 25193 1 875 . 1 1 187 187 SER C C 13 175.039 0.009 . 1 . . . . 186 Ser C . 25193 1 876 . 1 1 187 187 SER CA C 13 58.608 0.006 . 1 . . . . 186 Ser CA . 25193 1 877 . 1 1 187 187 SER CB C 13 63.068 0.008 . 1 . . . . 186 Ser CB . 25193 1 878 . 1 1 187 187 SER N N 15 115.656 0.002 . 1 . . . . 186 Ser N . 25193 1 879 . 1 1 188 188 LYS H H 1 8.351 0.000 . 1 . . . . 187 Lys H . 25193 1 880 . 1 1 188 188 LYS C C 13 176.807 0.003 . 1 . . . . 187 Lys C . 25193 1 881 . 1 1 188 188 LYS CA C 13 56.477 0.003 . 1 . . . . 187 Lys CA . 25193 1 882 . 1 1 188 188 LYS CB C 13 31.533 0.016 . 1 . . . . 187 Lys CB . 25193 1 883 . 1 1 188 188 LYS N N 15 122.342 0.004 . 1 . . . . 187 Lys N . 25193 1 884 . 1 1 189 189 GLN H H 1 8.167 0.000 . 1 . . . . 188 Gln H . 25193 1 885 . 1 1 189 189 GLN C C 13 176.012 0.006 . 1 . . . . 188 Gln C . 25193 1 886 . 1 1 189 189 GLN CA C 13 55.702 0.000 . 1 . . . . 188 Gln CA . 25193 1 887 . 1 1 189 189 GLN CB C 13 28.750 0.000 . 1 . . . . 188 Gln CB . 25193 1 888 . 1 1 189 189 GLN N N 15 119.735 0.005 . 1 . . . . 188 Gln N . 25193 1 889 . 1 1 190 190 SER H H 1 8.454 0.000 . 1 . . . . 189 Ser H . 25193 1 890 . 1 1 190 190 SER C C 13 174.045 0.020 . 1 . . . . 189 Ser C . 25193 1 891 . 1 1 190 190 SER CA C 13 58.029 0.004 . 1 . . . . 189 Ser CA . 25193 1 892 . 1 1 190 190 SER CB C 13 63.061 0.005 . 1 . . . . 189 Ser CB . 25193 1 893 . 1 1 190 190 SER N N 15 117.466 0.003 . 1 . . . . 189 Ser N . 25193 1 894 . 1 1 191 191 ARG H H 1 8.076 0.000 . 1 . . . . 190 Arg H . 25193 1 895 . 1 1 191 191 ARG C C 13 175.010 0.008 . 1 . . . . 190 Arg C . 25193 1 896 . 1 1 191 191 ARG CA C 13 54.648 0.011 . 1 . . . . 190 Arg CA . 25193 1 897 . 1 1 191 191 ARG CB C 13 31.844 0.008 . 1 . . . . 190 Arg CB . 25193 1 898 . 1 1 191 191 ARG N N 15 123.503 0.003 . 1 . . . . 190 Arg N . 25193 1 899 . 1 1 192 192 THR H H 1 8.569 0.000 . 1 . . . . 191 Thr H . 25193 1 900 . 1 1 192 192 THR C C 13 170.280 0.015 . 1 . . . . 191 Thr C . 25193 1 901 . 1 1 192 192 THR CA C 13 61.315 0.006 . 1 . . . . 191 Thr CA . 25193 1 902 . 1 1 192 192 THR CB C 13 70.415 0.003 . 1 . . . . 191 Thr CB . 25193 1 903 . 1 1 192 192 THR N N 15 120.327 0.003 . 1 . . . . 191 Thr N . 25193 1 904 . 1 1 193 193 GLU H H 1 8.137 0.000 . 1 . . . . 192 Glu H . 25193 1 905 . 1 1 193 193 GLU C C 13 174.764 0.016 . 1 . . . . 192 Glu C . 25193 1 906 . 1 1 193 193 GLU CA C 13 53.833 0.000 . 1 . . . . 192 Glu CA . 25193 1 907 . 1 1 193 193 GLU CB C 13 30.539 0.018 . 1 . . . . 192 Glu CB . 25193 1 908 . 1 1 193 193 GLU N N 15 125.069 0.006 . 1 . . . . 192 Glu N . 25193 1 909 . 1 1 194 194 TRP H H 1 9.167 0.000 . 1 . . . . 193 Trp H . 25193 1 910 . 1 1 194 194 TRP C C 13 172.740 0.012 . 1 . . . . 193 Trp C . 25193 1 911 . 1 1 194 194 TRP CA C 13 54.228 0.007 . 1 . . . . 193 Trp CA . 25193 1 912 . 1 1 194 194 TRP CB C 13 33.337 0.002 . 1 . . . . 193 Trp CB . 25193 1 913 . 1 1 194 194 TRP N N 15 127.238 0.003 . 1 . . . . 193 Trp N . 25193 1 914 . 1 1 195 195 ASP H H 1 8.326 0.001 . 1 . . . . 194 Asp H . 25193 1 915 . 1 1 195 195 ASP C C 13 175.609 0.028 . 1 . . . . 194 Asp C . 25193 1 916 . 1 1 195 195 ASP CA C 13 52.793 0.000 . 1 . . . . 194 Asp CA . 25193 1 917 . 1 1 195 195 ASP CB C 13 41.513 0.000 . 1 . . . . 194 Asp CB . 25193 1 918 . 1 1 195 195 ASP N N 15 121.967 0.009 . 1 . . . . 194 Asp N . 25193 1 919 . 1 1 196 196 TYR H H 1 9.699 0.001 . 1 . . . . 195 Tyr H . 25193 1 920 . 1 1 196 196 TYR C C 13 176.633 0.010 . 1 . . . . 195 Tyr C . 25193 1 921 . 1 1 196 196 TYR CA C 13 56.339 0.003 . 1 . . . . 195 Tyr CA . 25193 1 922 . 1 1 196 196 TYR CB C 13 38.714 0.006 . 1 . . . . 195 Tyr CB . 25193 1 923 . 1 1 196 196 TYR N N 15 126.073 0.003 . 1 . . . . 195 Tyr N . 25193 1 924 . 1 1 197 197 GLY H H 1 9.585 0.001 . 1 . . . . 196 Gly H . 25193 1 925 . 1 1 197 197 GLY C C 13 173.821 0.007 . 1 . . . . 196 Gly C . 25193 1 926 . 1 1 197 197 GLY CA C 13 44.441 0.010 . 1 . . . . 196 Gly CA . 25193 1 927 . 1 1 197 197 GLY N N 15 114.424 0.008 . 1 . . . . 196 Gly N . 25193 1 928 . 1 1 198 198 GLU H H 1 9.595 0.000 . 1 . . . . 197 Glu H . 25193 1 929 . 1 1 198 198 GLU C C 13 174.877 0.012 . 1 . . . . 197 Glu C . 25193 1 930 . 1 1 198 198 GLU CA C 13 56.625 0.019 . 1 . . . . 197 Glu CA . 25193 1 931 . 1 1 198 198 GLU CB C 13 31.982 0.004 . 1 . . . . 197 Glu CB . 25193 1 932 . 1 1 198 198 GLU N N 15 126.808 0.012 . 1 . . . . 197 Glu N . 25193 1 933 . 1 1 199 199 ILE H H 1 8.719 0.001 . 1 . . . . 198 Ile H . 25193 1 934 . 1 1 199 199 ILE C C 13 176.675 0.021 . 1 . . . . 198 Ile C . 25193 1 935 . 1 1 199 199 ILE CA C 13 59.277 0.000 . 1 . . . . 198 Ile CA . 25193 1 936 . 1 1 199 199 ILE CB C 13 39.045 0.026 . 1 . . . . 198 Ile CB . 25193 1 937 . 1 1 199 199 ILE N N 15 118.257 0.009 . 1 . . . . 198 Ile N . 25193 1 938 . 1 1 200 200 HIS H H 1 9.486 0.001 . 1 . . . . 199 His H . 25193 1 939 . 1 1 200 200 HIS C C 13 174.383 0.001 . 1 . . . . 199 His C . 25193 1 940 . 1 1 200 200 HIS CA C 13 53.347 0.010 . 1 . . . . 199 His CA . 25193 1 941 . 1 1 200 200 HIS CB C 13 33.417 0.012 . 1 . . . . 199 His CB . 25193 1 942 . 1 1 200 200 HIS N N 15 125.399 0.012 . 1 . . . . 199 His N . 25193 1 943 . 1 1 201 201 SER H H 1 8.573 0.000 . 1 . . . . 200 Ser H . 25193 1 944 . 1 1 201 201 SER C C 13 172.876 0.014 . 1 . . . . 200 Ser C . 25193 1 945 . 1 1 201 201 SER CA C 13 57.898 0.003 . 1 . . . . 200 Ser CA . 25193 1 946 . 1 1 201 201 SER CB C 13 63.917 0.003 . 1 . . . . 200 Ser CB . 25193 1 947 . 1 1 201 201 SER N N 15 114.667 0.002 . 1 . . . . 200 Ser N . 25193 1 948 . 1 1 202 202 ILE H H 1 9.858 0.000 . 1 . . . . 201 Ile H . 25193 1 949 . 1 1 202 202 ILE C C 13 176.653 0.006 . 1 . . . . 201 Ile C . 25193 1 950 . 1 1 202 202 ILE CA C 13 59.152 0.016 . 1 . . . . 201 Ile CA . 25193 1 951 . 1 1 202 202 ILE CB C 13 39.188 0.004 . 1 . . . . 201 Ile CB . 25193 1 952 . 1 1 202 202 ILE N N 15 121.231 0.006 . 1 . . . . 201 Ile N . 25193 1 953 . 1 1 203 203 ARG H H 1 8.575 0.000 . 1 . . . . 202 Arg H . 25193 1 954 . 1 1 203 203 ARG C C 13 177.566 0.009 . 1 . . . . 202 Arg C . 25193 1 955 . 1 1 203 203 ARG CA C 13 58.080 0.018 . 1 . . . . 202 Arg CA . 25193 1 956 . 1 1 203 203 ARG CB C 13 28.740 0.001 . 1 . . . . 202 Arg CB . 25193 1 957 . 1 1 203 203 ARG N N 15 126.235 0.005 . 1 . . . . 202 Arg N . 25193 1 958 . 1 1 204 204 GLY H H 1 8.763 0.000 . 1 . . . . 203 Gly H . 25193 1 959 . 1 1 204 204 GLY C C 13 173.916 0.009 . 1 . . . . 203 Gly C . 25193 1 960 . 1 1 204 204 GLY CA C 13 45.076 0.011 . 1 . . . . 203 Gly CA . 25193 1 961 . 1 1 204 204 GLY N N 15 112.055 0.002 . 1 . . . . 203 Gly N . 25193 1 962 . 1 1 205 205 LYS H H 1 8.084 0.000 . 1 . . . . 204 Lys H . 25193 1 963 . 1 1 205 205 LYS C C 13 176.662 0.015 . 1 . . . . 204 Lys C . 25193 1 964 . 1 1 205 205 LYS CA C 13 53.634 0.006 . 1 . . . . 204 Lys CA . 25193 1 965 . 1 1 205 205 LYS CB C 13 34.420 0.009 . 1 . . . . 204 Lys CB . 25193 1 966 . 1 1 205 205 LYS N N 15 118.899 0.004 . 1 . . . . 204 Lys N . 25193 1 967 . 1 1 206 206 SER H H 1 9.184 0.000 . 1 . . . . 205 Ser H . 25193 1 968 . 1 1 206 206 SER C C 13 176.641 0.006 . 1 . . . . 205 Ser C . 25193 1 969 . 1 1 206 206 SER CA C 13 57.494 0.000 . 1 . . . . 205 Ser CA . 25193 1 970 . 1 1 206 206 SER CB C 13 62.996 0.005 . 1 . . . . 205 Ser CB . 25193 1 971 . 1 1 206 206 SER N N 15 120.045 0.004 . 1 . . . . 205 Ser N . 25193 1 972 . 1 1 207 207 LEU H H 1 9.094 0.000 . 1 . . . . 206 Leu H . 25193 1 973 . 1 1 207 207 LEU C C 13 177.206 0.010 . 1 . . . . 206 Leu C . 25193 1 974 . 1 1 207 207 LEU CA C 13 57.197 0.044 . 1 . . . . 206 Leu CA . 25193 1 975 . 1 1 207 207 LEU CB C 13 42.109 0.004 . 1 . . . . 206 Leu CB . 25193 1 976 . 1 1 207 207 LEU N N 15 128.580 0.004 . 1 . . . . 206 Leu N . 25193 1 977 . 1 1 208 208 THR H H 1 7.722 0.000 . 1 . . . . 207 Thr H . 25193 1 978 . 1 1 208 208 THR C C 13 175.421 0.000 . 1 . . . . 207 Thr C . 25193 1 979 . 1 1 208 208 THR CA C 13 63.182 0.004 . 1 . . . . 207 Thr CA . 25193 1 980 . 1 1 208 208 THR CB C 13 68.437 0.007 . 1 . . . . 207 Thr CB . 25193 1 981 . 1 1 208 208 THR N N 15 103.261 0.006 . 1 . . . . 207 Thr N . 25193 1 982 . 1 1 209 209 GLU H H 1 8.142 0.000 . 1 . . . . 208 Glu H . 25193 1 983 . 1 1 209 209 GLU C C 13 176.455 0.003 . 1 . . . . 208 Glu C . 25193 1 984 . 1 1 209 209 GLU CA C 13 57.515 0.004 . 1 . . . . 208 Glu CA . 25193 1 985 . 1 1 209 209 GLU CB C 13 31.335 0.023 . 1 . . . . 208 Glu CB . 25193 1 986 . 1 1 209 209 GLU N N 15 120.508 0.007 . 1 . . . . 208 Glu N . 25193 1 987 . 1 1 210 210 ALA H H 1 8.495 0.001 . 1 . . . . 209 Ala H . 25193 1 988 . 1 1 210 210 ALA C C 13 174.249 0.009 . 1 . . . . 209 Ala C . 25193 1 989 . 1 1 210 210 ALA CA C 13 51.749 0.003 . 1 . . . . 209 Ala CA . 25193 1 990 . 1 1 210 210 ALA CB C 13 22.376 0.004 . 1 . . . . 209 Ala CB . 25193 1 991 . 1 1 210 210 ALA N N 15 121.025 0.007 . 1 . . . . 209 Ala N . 25193 1 992 . 1 1 211 211 PHE H H 1 8.283 0.000 . 1 . . . . 210 Phe H . 25193 1 993 . 1 1 211 211 PHE C C 13 171.351 0.010 . 1 . . . . 210 Phe C . 25193 1 994 . 1 1 211 211 PHE CA C 13 56.503 0.000 . 1 . . . . 210 Phe CA . 25193 1 995 . 1 1 211 211 PHE CB C 13 38.222 0.013 . 1 . . . . 210 Phe CB . 25193 1 996 . 1 1 211 211 PHE N N 15 111.848 0.008 . 1 . . . . 210 Phe N . 25193 1 997 . 1 1 212 212 ALA H H 1 9.298 0.000 . 1 . . . . 211 Ala H . 25193 1 998 . 1 1 212 212 ALA C C 13 175.856 0.010 . 1 . . . . 211 Ala C . 25193 1 999 . 1 1 212 212 ALA CA C 13 49.183 0.012 . 1 . . . . 211 Ala CA . 25193 1 1000 . 1 1 212 212 ALA CB C 13 21.446 0.002 . 1 . . . . 211 Ala CB . 25193 1 1001 . 1 1 212 212 ALA N N 15 121.099 0.003 . 1 . . . . 211 Ala N . 25193 1 1002 . 1 1 213 213 VAL H H 1 9.528 0.000 . 1 . . . . 212 Val H . 25193 1 1003 . 1 1 213 213 VAL C C 13 173.630 0.014 . 1 . . . . 212 Val C . 25193 1 1004 . 1 1 213 213 VAL CA C 13 58.477 0.002 . 1 . . . . 212 Val CA . 25193 1 1005 . 1 1 213 213 VAL CB C 13 34.143 0.008 . 1 . . . . 212 Val CB . 25193 1 1006 . 1 1 213 213 VAL N N 15 121.377 0.002 . 1 . . . . 212 Val N . 25193 1 1007 . 1 1 214 214 GLU H H 1 8.795 0.000 . 1 . . . . 213 Glu H . 25193 1 1008 . 1 1 214 214 GLU C C 13 174.021 0.004 . 1 . . . . 213 Glu C . 25193 1 1009 . 1 1 214 214 GLU CA C 13 55.496 0.022 . 1 . . . . 213 Glu CA . 25193 1 1010 . 1 1 214 214 GLU CB C 13 30.504 0.006 . 1 . . . . 213 Glu CB . 25193 1 1011 . 1 1 214 214 GLU N N 15 131.398 0.003 . 1 . . . . 213 Glu N . 25193 1 1012 . 1 1 215 215 ILE H H 1 8.676 0.000 . 1 . . . . 214 Ile H . 25193 1 1013 . 1 1 215 215 ILE C C 13 176.560 0.010 . 1 . . . . 214 Ile C . 25193 1 1014 . 1 1 215 215 ILE CA C 13 56.414 0.024 . 1 . . . . 214 Ile CA . 25193 1 1015 . 1 1 215 215 ILE CB C 13 35.653 0.007 . 1 . . . . 214 Ile CB . 25193 1 1016 . 1 1 215 215 ILE N N 15 128.731 0.004 . 1 . . . . 214 Ile N . 25193 1 1017 . 1 1 216 216 ASN H H 1 9.417 0.001 . 1 . . . . 215 Asn H . 25193 1 1018 . 1 1 216 216 ASN C C 13 174.791 0.000 . 1 . . . . 215 Asn C . 25193 1 1019 . 1 1 216 216 ASN CA C 13 54.032 0.000 . 1 . . . . 215 Asn CA . 25193 1 1020 . 1 1 216 216 ASN CB C 13 35.394 0.000 . 1 . . . . 215 Asn CB . 25193 1 1021 . 1 1 216 216 ASN N N 15 127.853 0.004 . 1 . . . . 215 Asn N . 25193 1 1022 . 1 1 217 217 ASP H H 1 8.701 0.001 . 1 . . . . 216 Asp H . 25193 1 1023 . 1 1 217 217 ASP C C 13 174.110 0.000 . 1 . . . . 216 Asp C . 25193 1 1024 . 1 1 217 217 ASP CA C 13 55.783 0.000 . 1 . . . . 216 Asp CA . 25193 1 1025 . 1 1 217 217 ASP CB C 13 39.221 0.000 . 1 . . . . 216 Asp CB . 25193 1 1026 . 1 1 217 217 ASP N N 15 109.535 0.004 . 1 . . . . 216 Asp N . 25193 1 1027 . 1 1 218 218 ASP H H 1 7.565 0.000 . 1 . . . . 217 Asp H . 25193 1 1028 . 1 1 218 218 ASP C C 13 174.853 0.000 . 1 . . . . 217 Asp C . 25193 1 1029 . 1 1 218 218 ASP CA C 13 52.523 0.012 . 1 . . . . 217 Asp CA . 25193 1 1030 . 1 1 218 218 ASP CB C 13 44.166 0.006 . 1 . . . . 217 Asp CB . 25193 1 1031 . 1 1 218 218 ASP N N 15 119.612 0.005 . 1 . . . . 217 Asp N . 25193 1 1032 . 1 1 219 219 PHE H H 1 8.920 0.000 . 1 . . . . 218 Phe H . 25193 1 1033 . 1 1 219 219 PHE C C 13 174.923 0.000 . 1 . . . . 218 Phe C . 25193 1 1034 . 1 1 219 219 PHE CA C 13 60.539 0.006 . 1 . . . . 218 Phe CA . 25193 1 1035 . 1 1 219 219 PHE CB C 13 39.181 0.001 . 1 . . . . 218 Phe CB . 25193 1 1036 . 1 1 219 219 PHE N N 15 122.076 0.007 . 1 . . . . 218 Phe N . 25193 1 1037 . 1 1 220 220 LYS H H 1 9.053 0.000 . 1 . . . . 219 Lys H . 25193 1 1038 . 1 1 220 220 LYS C C 13 176.888 0.010 . 1 . . . . 219 Lys C . 25193 1 1039 . 1 1 220 220 LYS CA C 13 51.634 0.003 . 1 . . . . 219 Lys CA . 25193 1 1040 . 1 1 220 220 LYS CB C 13 33.161 0.008 . 1 . . . . 219 Lys CB . 25193 1 1041 . 1 1 220 220 LYS N N 15 123.136 0.005 . 1 . . . . 219 Lys N . 25193 1 1042 . 1 1 221 221 LEU H H 1 8.066 0.000 . 1 . . . . 220 Leu H . 25193 1 1043 . 1 1 221 221 LEU C C 13 175.123 0.018 . 1 . . . . 220 Leu C . 25193 1 1044 . 1 1 221 221 LEU CA C 13 55.120 0.000 . 1 . . . . 220 Leu CA . 25193 1 1045 . 1 1 221 221 LEU CB C 13 41.777 0.012 . 1 . . . . 220 Leu CB . 25193 1 1046 . 1 1 221 221 LEU N N 15 121.572 0.002 . 1 . . . . 220 Leu N . 25193 1 1047 . 1 1 222 222 ALA H H 1 9.344 0.000 . 1 . . . . 221 Ala H . 25193 1 1048 . 1 1 222 222 ALA C C 13 175.622 0.005 . 1 . . . . 221 Ala C . 25193 1 1049 . 1 1 222 222 ALA CA C 13 49.708 0.000 . 1 . . . . 221 Ala CA . 25193 1 1050 . 1 1 222 222 ALA CB C 13 19.316 0.007 . 1 . . . . 221 Ala CB . 25193 1 1051 . 1 1 222 222 ALA N N 15 133.767 0.004 . 1 . . . . 221 Ala N . 25193 1 1052 . 1 1 223 223 THR H H 1 7.884 0.000 . 1 . . . . 222 Thr H . 25193 1 1053 . 1 1 223 223 THR C C 13 174.060 0.004 . 1 . . . . 222 Thr C . 25193 1 1054 . 1 1 223 223 THR CA C 13 59.414 0.003 . 1 . . . . 222 Thr CA . 25193 1 1055 . 1 1 223 223 THR CB C 13 71.051 0.008 . 1 . . . . 222 Thr CB . 25193 1 1056 . 1 1 223 223 THR N N 15 110.501 0.004 . 1 . . . . 222 Thr N . 25193 1 1057 . 1 1 224 224 LYS H H 1 8.041 0.000 . 1 . . . . 223 Lys H . 25193 1 1058 . 1 1 224 224 LYS C C 13 176.902 0.003 . 1 . . . . 223 Lys C . 25193 1 1059 . 1 1 224 224 LYS CA C 13 57.364 0.007 . 1 . . . . 223 Lys CA . 25193 1 1060 . 1 1 224 224 LYS CB C 13 31.431 0.037 . 1 . . . . 223 Lys CB . 25193 1 1061 . 1 1 224 224 LYS N N 15 125.820 0.004 . 1 . . . . 223 Lys N . 25193 1 1062 . 1 1 225 225 VAL H H 1 8.933 0.000 . 1 . . . . 224 Val H . 25193 1 1063 . 1 1 225 225 VAL C C 13 176.407 0.009 . 1 . . . . 224 Val C . 25193 1 1064 . 1 1 225 225 VAL CA C 13 61.992 0.002 . 1 . . . . 224 Val CA . 25193 1 1065 . 1 1 225 225 VAL CB C 13 31.875 0.014 . 1 . . . . 224 Val CB . 25193 1 1066 . 1 1 225 225 VAL N N 15 126.647 0.004 . 1 . . . . 224 Val N . 25193 1 1067 . 1 1 226 226 GLY H H 1 8.437 0.000 . 1 . . . . 225 Gly H . 25193 1 1068 . 1 1 226 226 GLY C C 13 172.849 0.008 . 1 . . . . 225 Gly C . 25193 1 1069 . 1 1 226 226 GLY CA C 13 44.726 0.001 . 1 . . . . 225 Gly CA . 25193 1 1070 . 1 1 226 226 GLY N N 15 113.263 0.005 . 1 . . . . 225 Gly N . 25193 1 1071 . 1 1 227 227 ASN H H 1 8.001 0.000 . 1 . . . . 226 Asn H . 25193 1 1072 . 1 1 227 227 ASN C C 13 179.736 0.000 . 1 . . . . 226 Asn C . 25193 1 1073 . 1 1 227 227 ASN CA C 13 54.512 0.000 . 1 . . . . 226 Asn CA . 25193 1 1074 . 1 1 227 227 ASN CB C 13 39.851 0.000 . 1 . . . . 226 Asn CB . 25193 1 1075 . 1 1 227 227 ASN N N 15 123.917 0.005 . 1 . . . . 226 Asn N . 25193 1 stop_ save_