data_17599 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 17599 _Entry.Title ; Solution structure of Par-6 Q144C/L164C ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2011-04-25 _Entry.Accession_date 2011-04-25 _Entry.Last_release_date 2011-12-01 _Entry.Original_release_date 2011-12-01 _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version 3.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype 'SOLUTION NMR' _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 B. Volkman . F. . 17599 2 D. Whitney . S. . 17599 3 F. Peterson . C. . 17599 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' . 17599 stop_ loop_ _Struct_keywords.Keywords _Struct_keywords.Text _Struct_keywords.Entry_ID Cdc42 . 17599 CRIB . 17599 Par-6 . 17599 'PDZ domain' . 17599 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 17599 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 529 17599 '15N chemical shifts' 123 17599 '1H chemical shifts' 869 17599 stop_ loop_ _Release.Release_number _Release.Format_type _Release.Format_version _Release.Date _Release.Submission_date _Release.Type _Release.Author _Release.Detail _Release.Entry_ID 1 . . 2011-12-01 2011-04-25 original author . 17599 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID BMRB 17600 'Solution structure of the isolated Par-6 PDZ domain' 17599 PDB 2LC6 'BMRB Entry Tracking System' 17599 stop_ save_ ############### # Citations # ############### save_citations _Citation.Sf_category citations _Citation.Sf_framecode citations _Citation.Entry_ID 17599 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 22078569 _Citation.Full_citation . _Citation.Title 'A Conformational Switch in the CRIB-PDZ Module of Par-6' _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev Structure _Citation.Journal_name_full . _Citation.Journal_volume 19 _Citation.Journal_issue 11 _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 1711 _Citation.Page_last 1722 _Citation.Year 2011 _Citation.Details . loop_ _Citation_author.Ordinal _Citation_author.Given_name _Citation_author.Family_name _Citation_author.First_initial _Citation_author.Middle_initials _Citation_author.Family_title _Citation_author.Entry_ID _Citation_author.Citation_ID 1 Dustin Whitney . S. . 17599 1 2 Francis Peterson . C. . 17599 1 3 Brian Volkman . F. . 17599 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 17599 _Assembly.ID 1 _Assembly.Name Par-6 _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 Par-6 1 $Par-6 A . yes native no no . . . 17599 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_Par-6 _Entity.Sf_category entity _Entity.Sf_framecode Par-6 _Entity.Entry_ID 17599 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name Par-6 _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 ; GSKTKAPSISIPHDFRCVSA IIDVDIVPETHRRVRLCKHG SDKPLGFYIRDGTSVRVTAS GLEKQPGIFISRLVPGGLAE STGLLAVNDEVIEVNGIEVA GKTLDQVTDMMVANSSNLII TVKPANQR ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details 'The N-terminal GS dipeptide is a cloning artifact.' _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 128 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state . _Entity.Src_method man _Entity.Parent_entity_ID . _Entity.Fragment Par-6 _Entity.Mutation 'Q144C, L164C' _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 13724.863 _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 17600 . Par-6 . . . . . 78.13 102 99.00 99.00 3.39e-63 . . . . 17599 1 2 no PDB 1RY4 . "Nmr Structure Of The Crib-Pdz Module Of Par-6" . . . . . 100.00 128 98.44 98.44 1.87e-83 . . . . 17599 1 3 no PDB 1RZX . "Crystal Structure Of A Par-6 Pdz-Peptide Complex" . . . . . 76.56 98 98.98 98.98 1.45e-61 . . . . 17599 1 4 no PDB 1X8S . "Structure Of The Par-6 Pdz Domain With A Pals1 Internal Ligand" . . . . . 78.13 102 99.00 99.00 3.39e-63 . . . . 17599 1 5 no PDB 2LC6 . "Solution Structure Of Par-6 Q144cL164C" . . . . . 100.00 128 100.00 100.00 4.13e-86 . . . . 17599 1 6 no PDB 2LC7 . "Solution Structure Of The Isolated Par-6 Pdz Domain" . . . . . 78.13 102 99.00 99.00 3.39e-63 . . . . 17599 1 7 no GB AAD15927 . "PAR-6 [Drosophila melanogaster]" . . . . . 98.44 351 98.41 98.41 4.88e-80 . . . . 17599 1 8 no GB AAF48757 . "par-6, isoform A [Drosophila melanogaster]" . . . . . 98.44 351 98.41 98.41 4.88e-80 . . . . 17599 1 9 no GB AAL28917 . "LD29223p [Drosophila melanogaster]" . . . . . 98.44 351 98.41 98.41 4.88e-80 . . . . 17599 1 10 no GB AAN09592 . "par-6, isoform B [Drosophila melanogaster]" . . . . . 98.44 351 98.41 98.41 4.88e-80 . . . . 17599 1 11 no GB ACL90845 . "par-6-PA [synthetic construct]" . . . . . 98.44 351 98.41 98.41 4.88e-80 . . . . 17599 1 12 no REF NP_573238 . "par-6, isoform A [Drosophila melanogaster]" . . . . . 98.44 351 98.41 98.41 4.88e-80 . . . . 17599 1 13 no REF NP_728094 . "par-6, isoform B [Drosophila melanogaster]" . . . . . 98.44 351 98.41 98.41 4.88e-80 . . . . 17599 1 14 no REF XP_001963708 . "GF21116 [Drosophila ananassae]" . . . . . 98.44 355 98.41 98.41 4.09e-80 . . . . 17599 1 15 no REF XP_001977590 . "GG19128 [Drosophila erecta]" . . . . . 98.44 351 98.41 98.41 8.65e-80 . . . . 17599 1 16 no REF XP_001991396 . "GH12629 [Drosophila grimshawi]" . . . . . 98.44 347 98.41 98.41 4.89e-80 . . . . 17599 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 1 128 GLY . 17599 1 2 129 SER . 17599 1 3 130 LYS . 17599 1 4 131 THR . 17599 1 5 132 LYS . 17599 1 6 133 ALA . 17599 1 7 134 PRO . 17599 1 8 135 SER . 17599 1 9 136 ILE . 17599 1 10 137 SER . 17599 1 11 138 ILE . 17599 1 12 139 PRO . 17599 1 13 140 HIS . 17599 1 14 141 ASP . 17599 1 15 142 PHE . 17599 1 16 143 ARG . 17599 1 17 144 CYS . 17599 1 18 145 VAL . 17599 1 19 146 SER . 17599 1 20 147 ALA . 17599 1 21 148 ILE . 17599 1 22 149 ILE . 17599 1 23 150 ASP . 17599 1 24 151 VAL . 17599 1 25 152 ASP . 17599 1 26 153 ILE . 17599 1 27 154 VAL . 17599 1 28 155 PRO . 17599 1 29 156 GLU . 17599 1 30 157 THR . 17599 1 31 158 HIS . 17599 1 32 159 ARG . 17599 1 33 160 ARG . 17599 1 34 161 VAL . 17599 1 35 162 ARG . 17599 1 36 163 LEU . 17599 1 37 164 CYS . 17599 1 38 165 LYS . 17599 1 39 166 HIS . 17599 1 40 167 GLY . 17599 1 41 168 SER . 17599 1 42 169 ASP . 17599 1 43 170 LYS . 17599 1 44 171 PRO . 17599 1 45 172 LEU . 17599 1 46 173 GLY . 17599 1 47 174 PHE . 17599 1 48 175 TYR . 17599 1 49 176 ILE . 17599 1 50 177 ARG . 17599 1 51 178 ASP . 17599 1 52 179 GLY . 17599 1 53 180 THR . 17599 1 54 181 SER . 17599 1 55 182 VAL . 17599 1 56 183 ARG . 17599 1 57 184 VAL . 17599 1 58 185 THR . 17599 1 59 186 ALA . 17599 1 60 187 SER . 17599 1 61 188 GLY . 17599 1 62 189 LEU . 17599 1 63 190 GLU . 17599 1 64 191 LYS . 17599 1 65 192 GLN . 17599 1 66 193 PRO . 17599 1 67 194 GLY . 17599 1 68 195 ILE . 17599 1 69 196 PHE . 17599 1 70 197 ILE . 17599 1 71 198 SER . 17599 1 72 199 ARG . 17599 1 73 200 LEU . 17599 1 74 201 VAL . 17599 1 75 202 PRO . 17599 1 76 203 GLY . 17599 1 77 204 GLY . 17599 1 78 205 LEU . 17599 1 79 206 ALA . 17599 1 80 207 GLU . 17599 1 81 208 SER . 17599 1 82 209 THR . 17599 1 83 210 GLY . 17599 1 84 211 LEU . 17599 1 85 212 LEU . 17599 1 86 213 ALA . 17599 1 87 214 VAL . 17599 1 88 215 ASN . 17599 1 89 216 ASP . 17599 1 90 217 GLU . 17599 1 91 218 VAL . 17599 1 92 219 ILE . 17599 1 93 220 GLU . 17599 1 94 221 VAL . 17599 1 95 222 ASN . 17599 1 96 223 GLY . 17599 1 97 224 ILE . 17599 1 98 225 GLU . 17599 1 99 226 VAL . 17599 1 100 227 ALA . 17599 1 101 228 GLY . 17599 1 102 229 LYS . 17599 1 103 230 THR . 17599 1 104 231 LEU . 17599 1 105 232 ASP . 17599 1 106 233 GLN . 17599 1 107 234 VAL . 17599 1 108 235 THR . 17599 1 109 236 ASP . 17599 1 110 237 MET . 17599 1 111 238 MET . 17599 1 112 239 VAL . 17599 1 113 240 ALA . 17599 1 114 241 ASN . 17599 1 115 242 SER . 17599 1 116 243 SER . 17599 1 117 244 ASN . 17599 1 118 245 LEU . 17599 1 119 246 ILE . 17599 1 120 247 ILE . 17599 1 121 248 THR . 17599 1 122 249 VAL . 17599 1 123 250 LYS . 17599 1 124 251 PRO . 17599 1 125 252 ALA . 17599 1 126 253 ASN . 17599 1 127 254 GLN . 17599 1 128 255 ARG . 17599 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 17599 1 . SER 2 2 17599 1 . LYS 3 3 17599 1 . THR 4 4 17599 1 . LYS 5 5 17599 1 . ALA 6 6 17599 1 . PRO 7 7 17599 1 . SER 8 8 17599 1 . ILE 9 9 17599 1 . SER 10 10 17599 1 . ILE 11 11 17599 1 . PRO 12 12 17599 1 . HIS 13 13 17599 1 . ASP 14 14 17599 1 . PHE 15 15 17599 1 . ARG 16 16 17599 1 . CYS 17 17 17599 1 . VAL 18 18 17599 1 . SER 19 19 17599 1 . ALA 20 20 17599 1 . ILE 21 21 17599 1 . ILE 22 22 17599 1 . ASP 23 23 17599 1 . VAL 24 24 17599 1 . ASP 25 25 17599 1 . ILE 26 26 17599 1 . VAL 27 27 17599 1 . PRO 28 28 17599 1 . GLU 29 29 17599 1 . THR 30 30 17599 1 . HIS 31 31 17599 1 . ARG 32 32 17599 1 . ARG 33 33 17599 1 . VAL 34 34 17599 1 . ARG 35 35 17599 1 . LEU 36 36 17599 1 . CYS 37 37 17599 1 . LYS 38 38 17599 1 . HIS 39 39 17599 1 . GLY 40 40 17599 1 . SER 41 41 17599 1 . ASP 42 42 17599 1 . LYS 43 43 17599 1 . PRO 44 44 17599 1 . LEU 45 45 17599 1 . GLY 46 46 17599 1 . PHE 47 47 17599 1 . TYR 48 48 17599 1 . ILE 49 49 17599 1 . ARG 50 50 17599 1 . ASP 51 51 17599 1 . GLY 52 52 17599 1 . THR 53 53 17599 1 . SER 54 54 17599 1 . VAL 55 55 17599 1 . ARG 56 56 17599 1 . VAL 57 57 17599 1 . THR 58 58 17599 1 . ALA 59 59 17599 1 . SER 60 60 17599 1 . GLY 61 61 17599 1 . LEU 62 62 17599 1 . GLU 63 63 17599 1 . LYS 64 64 17599 1 . GLN 65 65 17599 1 . PRO 66 66 17599 1 . GLY 67 67 17599 1 . ILE 68 68 17599 1 . PHE 69 69 17599 1 . ILE 70 70 17599 1 . SER 71 71 17599 1 . ARG 72 72 17599 1 . LEU 73 73 17599 1 . VAL 74 74 17599 1 . PRO 75 75 17599 1 . GLY 76 76 17599 1 . GLY 77 77 17599 1 . LEU 78 78 17599 1 . ALA 79 79 17599 1 . GLU 80 80 17599 1 . SER 81 81 17599 1 . THR 82 82 17599 1 . GLY 83 83 17599 1 . LEU 84 84 17599 1 . LEU 85 85 17599 1 . ALA 86 86 17599 1 . VAL 87 87 17599 1 . ASN 88 88 17599 1 . ASP 89 89 17599 1 . GLU 90 90 17599 1 . VAL 91 91 17599 1 . ILE 92 92 17599 1 . GLU 93 93 17599 1 . VAL 94 94 17599 1 . ASN 95 95 17599 1 . GLY 96 96 17599 1 . ILE 97 97 17599 1 . GLU 98 98 17599 1 . VAL 99 99 17599 1 . ALA 100 100 17599 1 . GLY 101 101 17599 1 . LYS 102 102 17599 1 . THR 103 103 17599 1 . LEU 104 104 17599 1 . ASP 105 105 17599 1 . GLN 106 106 17599 1 . VAL 107 107 17599 1 . THR 108 108 17599 1 . ASP 109 109 17599 1 . MET 110 110 17599 1 . MET 111 111 17599 1 . VAL 112 112 17599 1 . ALA 113 113 17599 1 . ASN 114 114 17599 1 . SER 115 115 17599 1 . SER 116 116 17599 1 . ASN 117 117 17599 1 . LEU 118 118 17599 1 . ILE 119 119 17599 1 . ILE 120 120 17599 1 . THR 121 121 17599 1 . VAL 122 122 17599 1 . LYS 123 123 17599 1 . PRO 124 124 17599 1 . ALA 125 125 17599 1 . ASN 126 126 17599 1 . GLN 127 127 17599 1 . ARG 128 128 17599 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 17599 _Entity_natural_src_list.ID 1 loop_ _Entity_natural_src.ID _Entity_natural_src.Entity_ID _Entity_natural_src.Entity_label _Entity_natural_src.Entity_chimera_segment_ID _Entity_natural_src.NCBI_taxonomy_ID _Entity_natural_src.Type _Entity_natural_src.Common _Entity_natural_src.Organism_name_scientific _Entity_natural_src.Organism_name_common _Entity_natural_src.Organism_acronym _Entity_natural_src.ICTVdb_decimal_code _Entity_natural_src.Superkingdom _Entity_natural_src.Kingdom _Entity_natural_src.Genus _Entity_natural_src.Species _Entity_natural_src.Strain _Entity_natural_src.Variant _Entity_natural_src.Subvariant _Entity_natural_src.Organ _Entity_natural_src.Tissue _Entity_natural_src.Tissue_fraction _Entity_natural_src.Cell_line _Entity_natural_src.Cell_type _Entity_natural_src.ATCC_number _Entity_natural_src.Organelle _Entity_natural_src.Cellular_location _Entity_natural_src.Fragment _Entity_natural_src.Fraction _Entity_natural_src.Secretion _Entity_natural_src.Plasmid _Entity_natural_src.Plasmid_details _Entity_natural_src.Gene_mnemonic _Entity_natural_src.Dev_stage _Entity_natural_src.Details _Entity_natural_src.Citation_ID _Entity_natural_src.Citation_label _Entity_natural_src.Entry_ID _Entity_natural_src.Entity_natural_src_list_ID 1 1 $Par-6 . 7227 organism . 'Drosophila melanogaster' 'fruit fly' . . Eukaryota Metazoa Drosophila melanogaster . . . . . . . . . . . . . . . . Par-6 . . . . 17599 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 17599 _Entity_experimental_src_list.ID 1 loop_ _Entity_experimental_src.ID _Entity_experimental_src.Entity_ID _Entity_experimental_src.Entity_label _Entity_experimental_src.Entity_chimera_segment_ID _Entity_experimental_src.Production_method _Entity_experimental_src.Host_org_scientific_name _Entity_experimental_src.Host_org_name_common _Entity_experimental_src.Host_org_details _Entity_experimental_src.Host_org_NCBI_taxonomy_ID _Entity_experimental_src.Host_org_genus _Entity_experimental_src.Host_org_species _Entity_experimental_src.Host_org_strain _Entity_experimental_src.Host_org_variant _Entity_experimental_src.Host_org_subvariant _Entity_experimental_src.Host_org_organ _Entity_experimental_src.Host_org_tissue _Entity_experimental_src.Host_org_tissue_fraction _Entity_experimental_src.Host_org_cell_line _Entity_experimental_src.Host_org_cell_type _Entity_experimental_src.Host_org_cellular_location _Entity_experimental_src.Host_org_organelle _Entity_experimental_src.Host_org_gene _Entity_experimental_src.Host_org_culture_collection _Entity_experimental_src.Host_org_ATCC_number _Entity_experimental_src.Vector_type _Entity_experimental_src.PDBview_host_org_vector_name _Entity_experimental_src.PDBview_plasmid_name _Entity_experimental_src.Vector_name _Entity_experimental_src.Vector_details _Entity_experimental_src.Vendor_name _Entity_experimental_src.Host_org_dev_stage _Entity_experimental_src.Details _Entity_experimental_src.Citation_ID _Entity_experimental_src.Citation_label _Entity_experimental_src.Entry_ID _Entity_experimental_src.Entity_experimental_src_list_ID 1 1 $Par-6 . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli BL21(DE3) . . . . . . . . . . . . . . . pBH4 . . . . . . 17599 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 17599 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details '1.0 mM Par-6 Q144C/L164C U-15N/13C, 20 mM sodium phosphate, 50 mM sodium chloride' _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 Par-6 '[U-100% 13C; U-100% 15N]' . . 1 $Par-6 . . 1 . . mM . . . . 17599 1 2 'sodium phosphate' 'natural abundance' . . . . . . 20 . . mM . . . . 17599 1 3 'sodium chloride' 'natural abundance' . . . . . . 50 . . mM . . . . 17599 1 stop_ save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode sample_conditions_1 _Sample_condition_list.Entry_ID 17599 _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' 53 . mM 17599 1 pH 5.5 . pH 17599 1 pressure 1 . atm 17599 1 temperature 298 . K 17599 1 stop_ save_ ############################ # Computer software used # ############################ save_Xplor-NIH _Software.Sf_category software _Software.Sf_framecode Xplor-NIH _Software.Entry_ID 17599 _Software.ID 1 _Software.Name 'X-PLOR NIH' _Software.Version 2.9.3 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID SCHWIETERS,C.D.,KUSZEWSKI,J.J.,TJANDRA,N.,CLORE,G.M. . . 17599 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID refinement 17599 1 stop_ save_ save_TopSpin _Software.Sf_category software _Software.Sf_framecode TopSpin _Software.Entry_ID 17599 _Software.ID 2 _Software.Name TOPSPIN _Software.Version 2.1 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID Bruker . . 17599 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID collection 17599 2 stop_ save_ save_nmrPipe _Software.Sf_category software _Software.Sf_framecode nmrPipe _Software.Entry_ID 17599 _Software.ID 3 _Software.Name NMRPipe _Software.Version 2007 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Delagio,F. et al.' . . 17599 3 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID processing 17599 3 stop_ save_ save_XEASY _Software.Sf_category software _Software.Sf_framecode XEASY _Software.Entry_ID 17599 _Software.ID 4 _Software.Name XEASY _Software.Version 1.3 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Eccles, C., Guntert, P., Billeter, M., Wuthrich, K.' . . 17599 4 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 17599 4 stop_ save_ save_GARANT _Software.Sf_category software _Software.Sf_framecode GARANT _Software.Entry_ID 17599 _Software.ID 5 _Software.Name GARANT _Software.Version 2.1 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'C. Bartels' . . 17599 5 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 17599 5 stop_ save_ save_Cyana _Software.Sf_category software _Software.Sf_framecode Cyana _Software.Entry_ID 17599 _Software.ID 6 _Software.Name CYANA _Software.Version 2.1 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Guntert, P.' . . 17599 6 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'structural calculation' 17599 6 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 17599 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model 'Avance II' _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ save_NMR_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode NMR_spectrometer_list _NMR_spectrometer_list.Entry_ID 17599 _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 II' . 600 . 1 $citations 17599 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 17599 _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 3D_15N-separated_NOESY no 1 $NMR_spectrometer_expt . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17599 1 2 3D_13C-separated_NOESY no 1 $NMR_spectrometer_expt . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17599 1 3 '3D_13C-separated_NOESY (AROMATIC)' no 1 $NMR_spectrometer_expt . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17599 1 stop_ save_ save_NMR_spectrometer_expt _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spectrometer_expt _NMR_spec_expt.Entry_ID 17599 _NMR_spec_expt.ID 1 _NMR_spec_expt.Name . _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID 1 _NMR_spec_expt.NMR_spectrometer_label $spectrometer_1 _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . 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 17599 _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 . indirect 0.251449530 . . . . . . . . . 17599 1 H 1 DSS 'methyl protons' . . . . ppm 0.00 internal direct 1.000000000 . . . . . . . . . 17599 1 N 15 DSS 'methyl protons' . . . . ppm 0.00 . indirect 0.101329118 . . . . . . . . . 17599 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 17599 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err 0.02 _Assigned_chem_shift_list.Chem_shift_13C_err 0.1 _Assigned_chem_shift_list.Chem_shift_15N_err 0.1 _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 1 3D_15N-separated_NOESY . . . 17599 1 2 3D_13C-separated_NOESY . . . 17599 1 3 '3D_13C-separated_NOESY (AROMATIC)' . . . 17599 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 LYS HA H 1 4.449 0.02 . 1 . . . A 130 LYS HA . 17599 1 2 . 1 1 3 3 LYS HB2 H 1 1.873 0.02 . 1 . . . . 130 LYS HB2 . 17599 1 3 . 1 1 3 3 LYS HB3 H 1 1.873 0.02 . 1 . . . . 130 LYS HB3 . 17599 1 4 . 1 1 3 3 LYS HG2 H 1 1.485 0.02 . 1 . . . . 130 LYS HG2 . 17599 1 5 . 1 1 3 3 LYS HG3 H 1 1.485 0.02 . 1 . . . . 130 LYS HG3 . 17599 1 6 . 1 1 3 3 LYS HD2 H 1 1.713 0.02 . 1 . . . . 130 LYS HD2 . 17599 1 7 . 1 1 3 3 LYS HD3 H 1 1.713 0.02 . 1 . . . . 130 LYS HD3 . 17599 1 8 . 1 1 3 3 LYS HE2 H 1 3.032 0.02 . 1 . . . . 130 LYS HE2 . 17599 1 9 . 1 1 3 3 LYS HE3 H 1 3.032 0.02 . 1 . . . . 130 LYS HE3 . 17599 1 10 . 1 1 3 3 LYS C C 13 176.911 0.1 . 1 . . . A 130 LYS C . 17599 1 11 . 1 1 3 3 LYS CA C 13 56.637 0.1 . 1 . . . A 130 LYS CA . 17599 1 12 . 1 1 3 3 LYS CB C 13 33.127 0.1 . 1 . . . A 130 LYS CB . 17599 1 13 . 1 1 3 3 LYS CG C 13 25.035 0.1 . 1 . . . A 130 LYS CG . 17599 1 14 . 1 1 3 3 LYS CD C 13 29.566 0.1 . 1 . . . A 130 LYS CD . 17599 1 15 . 1 1 3 3 LYS CE C 13 42.514 0.1 . 1 . . . A 130 LYS CE . 17599 1 16 . 1 1 4 4 THR H H 1 8.154 0.02 . 1 . . . . 131 THR H . 17599 1 17 . 1 1 4 4 THR HA H 1 4.335 0.02 . 1 . . . A 131 THR HA . 17599 1 18 . 1 1 4 4 THR HB H 1 4.171 0.02 . 1 . . . A 131 THR HB . 17599 1 19 . 1 1 4 4 THR HG21 H 1 1.204 0.02 . 1 . . . . 131 THR QG2 . 17599 1 20 . 1 1 4 4 THR HG22 H 1 1.204 0.02 . 1 . . . . 131 THR QG2 . 17599 1 21 . 1 1 4 4 THR HG23 H 1 1.204 0.02 . 1 . . . . 131 THR QG2 . 17599 1 22 . 1 1 4 4 THR C C 13 174.346 0.1 . 1 . . . A 131 THR C . 17599 1 23 . 1 1 4 4 THR CA C 13 62.584 0.1 . 1 . . . A 131 THR CA . 17599 1 24 . 1 1 4 4 THR CB C 13 70.181 0.1 . 1 . . . A 131 THR CB . 17599 1 25 . 1 1 4 4 THR CG2 C 13 21.797 0.1 . 1 . . . A 131 THR CG2 . 17599 1 26 . 1 1 4 4 THR N N 15 116.054 0.1 . 1 . . . A 131 THR N . 17599 1 27 . 1 1 5 5 LYS H H 1 8.361 0.02 . 1 . . . . 132 LYS H . 17599 1 28 . 1 1 5 5 LYS HA H 1 4.303 0.02 . 1 . . . A 132 LYS HA . 17599 1 29 . 1 1 5 5 LYS HB2 H 1 1.816 0.02 . 2 . . . . 132 LYS HB2 . 17599 1 30 . 1 1 5 5 LYS HB3 H 1 1.704 0.02 . 2 . . . . 132 LYS HB3 . 17599 1 31 . 1 1 5 5 LYS HG2 H 1 1.424 0.02 . 1 . . . . 132 LYS HG2 . 17599 1 32 . 1 1 5 5 LYS HG3 H 1 1.424 0.02 . 1 . . . . 132 LYS HG3 . 17599 1 33 . 1 1 5 5 LYS HD2 H 1 1.710 0.02 . 1 . . . . 132 LYS HD2 . 17599 1 34 . 1 1 5 5 LYS HD3 H 1 1.710 0.02 . 1 . . . . 132 LYS HD3 . 17599 1 35 . 1 1 5 5 LYS HE2 H 1 3.002 0.02 . 1 . . . . 132 LYS HE2 . 17599 1 36 . 1 1 5 5 LYS HE3 H 1 3.002 0.02 . 1 . . . . 132 LYS HE3 . 17599 1 37 . 1 1 5 5 LYS C C 13 175.902 0.1 . 1 . . . A 132 LYS C . 17599 1 38 . 1 1 5 5 LYS CA C 13 56.326 0.1 . 1 . . . A 132 LYS CA . 17599 1 39 . 1 1 5 5 LYS CB C 13 33.423 0.1 . 1 . . . A 132 LYS CB . 17599 1 40 . 1 1 5 5 LYS CG C 13 24.711 0.1 . 1 . . . A 132 LYS CG . 17599 1 41 . 1 1 5 5 LYS CD C 13 29.243 0.1 . 1 . . . A 132 LYS CD . 17599 1 42 . 1 1 5 5 LYS CE C 13 38.954 0.1 . 1 . . . A 132 LYS CE . 17599 1 43 . 1 1 5 5 LYS N N 15 124.682 0.1 . 1 . . . A 132 LYS N . 17599 1 44 . 1 1 6 6 ALA H H 1 8.367 0.02 . 1 . . . . 133 ALA H . 17599 1 45 . 1 1 6 6 ALA C C 13 175.599 0.1 . 1 . . . A 133 ALA C . 17599 1 46 . 1 1 6 6 ALA N N 15 127.558 0.1 . 1 . . . A 133 ALA N . 17599 1 47 . 1 1 7 7 PRO HA H 1 4.525 0.02 . 1 . . . A 134 PRO HA . 17599 1 48 . 1 1 7 7 PRO HB2 H 1 2.325 0.02 . 2 . . . . 134 PRO HB2 . 17599 1 49 . 1 1 7 7 PRO HB3 H 1 1.954 0.02 . 2 . . . . 134 PRO HB3 . 17599 1 50 . 1 1 7 7 PRO HG2 H 1 2.008 0.02 . 1 . . . . 134 PRO HG2 . 17599 1 51 . 1 1 7 7 PRO HG3 H 1 2.008 0.02 . 1 . . . . 134 PRO HG3 . 17599 1 52 . 1 1 7 7 PRO HD2 H 1 3.776 0.02 . 2 . . . . 134 PRO HD2 . 17599 1 53 . 1 1 7 7 PRO HD3 H 1 3.651 0.02 . 2 . . . . 134 PRO HD3 . 17599 1 54 . 1 1 7 7 PRO C C 13 177.036 0.1 . 1 . . . A 134 PRO C . 17599 1 55 . 1 1 7 7 PRO CA C 13 63.257 0.1 . 1 . . . A 134 PRO CA . 17599 1 56 . 1 1 7 7 PRO CB C 13 32.220 0.1 . 1 . . . A 134 PRO CB . 17599 1 57 . 1 1 7 7 PRO CG C 13 27.647 0.1 . 1 . . . A 134 PRO CG . 17599 1 58 . 1 1 7 7 PRO CD C 13 50.607 0.1 . 1 . . . A 134 PRO CD . 17599 1 59 . 1 1 8 8 SER H H 1 8.406 0.02 . 1 . . . . 135 SER H . 17599 1 60 . 1 1 8 8 SER HA H 1 4.468 0.02 . 1 . . . A 135 SER HA . 17599 1 61 . 1 1 8 8 SER HB2 H 1 3.867 0.02 . 1 . . . . 135 SER HB2 . 17599 1 62 . 1 1 8 8 SER HB3 H 1 3.867 0.02 . 1 . . . . 135 SER HB3 . 17599 1 63 . 1 1 8 8 SER C C 13 174.598 0.1 . 1 . . . A 135 SER C . 17599 1 64 . 1 1 8 8 SER CA C 13 59.004 0.1 . 1 . . . A 135 SER CA . 17599 1 65 . 1 1 8 8 SER CB C 13 64.668 0.1 . 1 . . . A 135 SER CB . 17599 1 66 . 1 1 8 8 SER N N 15 116.480 0.1 . 1 . . . A 135 SER N . 17599 1 67 . 1 1 9 9 ILE H H 1 8.159 0.02 . 1 . . . . 136 ILE H . 17599 1 68 . 1 1 9 9 ILE HA H 1 4.264 0.02 . 1 . . . A 136 ILE HA . 17599 1 69 . 1 1 9 9 ILE HB H 1 1.877 0.02 . 1 . . . A 136 ILE HB . 17599 1 70 . 1 1 9 9 ILE HG12 H 1 1.473 0.02 . 2 . . . . 136 ILE HG12 . 17599 1 71 . 1 1 9 9 ILE HG13 H 1 1.181 0.02 . 2 . . . . 136 ILE HG13 . 17599 1 72 . 1 1 9 9 ILE HG21 H 1 0.924 0.02 . 1 . . . . 136 ILE QG2 . 17599 1 73 . 1 1 9 9 ILE HG22 H 1 0.924 0.02 . 1 . . . . 136 ILE QG2 . 17599 1 74 . 1 1 9 9 ILE HG23 H 1 0.924 0.02 . 1 . . . . 136 ILE QG2 . 17599 1 75 . 1 1 9 9 ILE HD11 H 1 0.883 0.02 . 1 . . . . 136 ILE QD1 . 17599 1 76 . 1 1 9 9 ILE HD12 H 1 0.883 0.02 . 1 . . . . 136 ILE QD1 . 17599 1 77 . 1 1 9 9 ILE HD13 H 1 0.883 0.02 . 1 . . . . 136 ILE QD1 . 17599 1 78 . 1 1 9 9 ILE C C 13 176.162 0.1 . 1 . . . A 136 ILE C . 17599 1 79 . 1 1 9 9 ILE CA C 13 61.328 0.1 . 1 . . . A 136 ILE CA . 17599 1 80 . 1 1 9 9 ILE CB C 13 39.249 0.1 . 1 . . . A 136 ILE CB . 17599 1 81 . 1 1 9 9 ILE CG1 C 13 27.538 0.1 . 1 . . . A 136 ILE CG1 . 17599 1 82 . 1 1 9 9 ILE CG2 C 13 17.787 0.1 . 1 . . . A 136 ILE CG2 . 17599 1 83 . 1 1 9 9 ILE CD1 C 13 13.714 0.1 . 1 . . . A 136 ILE CD1 . 17599 1 84 . 1 1 9 9 ILE N N 15 122.382 0.1 . 1 . . . A 136 ILE N . 17599 1 85 . 1 1 10 10 SER H H 1 8.384 0.02 . 1 . . . . 137 SER H . 17599 1 86 . 1 1 10 10 SER HA H 1 4.544 0.02 . 1 . . . A 137 SER HA . 17599 1 87 . 1 1 10 10 SER HB2 H 1 3.911 0.02 . 1 . . . . 137 SER HB2 . 17599 1 88 . 1 1 10 10 SER HB3 H 1 3.911 0.02 . 1 . . . . 137 SER HB3 . 17599 1 89 . 1 1 10 10 SER C C 13 173.980 0.1 . 1 . . . A 137 SER C . 17599 1 90 . 1 1 10 10 SER CA C 13 59.000 0.1 . 1 . . . A 137 SER CA . 17599 1 91 . 1 1 10 10 SER CB C 13 64.834 0.1 . 1 . . . A 137 SER CB . 17599 1 92 . 1 1 10 10 SER N N 15 120.306 0.1 . 1 . . . A 137 SER N . 17599 1 93 . 1 1 11 11 ILE H H 1 8.198 0.02 . 1 . . . . 138 ILE H . 17599 1 94 . 1 1 11 11 ILE HA H 1 4.472 0.02 . 1 . . . A 138 ILE HA . 17599 1 95 . 1 1 11 11 ILE HB H 1 1.830 0.02 . 1 . . . A 138 ILE HB . 17599 1 96 . 1 1 11 11 ILE HG12 H 1 1.148 0.02 . 2 . . . . 138 ILE HG12 . 17599 1 97 . 1 1 11 11 ILE HG13 H 1 1.470 0.02 . 2 . . . . 138 ILE HG13 . 17599 1 98 . 1 1 11 11 ILE HG21 H 1 0.883 0.02 . 1 . . . . 138 ILE QG2 . 17599 1 99 . 1 1 11 11 ILE HG22 H 1 0.883 0.02 . 1 . . . . 138 ILE QG2 . 17599 1 100 . 1 1 11 11 ILE HG23 H 1 0.883 0.02 . 1 . . . . 138 ILE QG2 . 17599 1 101 . 1 1 11 11 ILE HD11 H 1 0.833 0.02 . 1 . . . . 138 ILE QD1 . 17599 1 102 . 1 1 11 11 ILE HD12 H 1 0.833 0.02 . 1 . . . . 138 ILE QD1 . 17599 1 103 . 1 1 11 11 ILE HD13 H 1 0.833 0.02 . 1 . . . . 138 ILE QD1 . 17599 1 104 . 1 1 11 11 ILE C C 13 174.627 0.1 . 1 . . . A 138 ILE C . 17599 1 105 . 1 1 11 11 ILE CA C 13 59.023 0.1 . 1 . . . A 138 ILE CA . 17599 1 106 . 1 1 11 11 ILE CB C 13 38.954 0.1 . 1 . . . A 138 ILE CB . 17599 1 107 . 1 1 11 11 ILE CG1 C 13 27.045 0.1 . 1 . . . A 138 ILE CG1 . 17599 1 108 . 1 1 11 11 ILE CG2 C 13 17.266 0.1 . 1 . . . A 138 ILE CG2 . 17599 1 109 . 1 1 11 11 ILE CD1 C 13 12.734 0.1 . 1 . . . A 138 ILE CD1 . 17599 1 110 . 1 1 11 11 ILE N N 15 124.822 0.1 . 1 . . . A 138 ILE N . 17599 1 111 . 1 1 12 12 PRO HA H 1 4.402 0.02 . 1 . . . A 139 PRO HA . 17599 1 112 . 1 1 12 12 PRO HB2 H 1 2.269 0.02 . 2 . . . . 139 PRO HB2 . 17599 1 113 . 1 1 12 12 PRO HB3 H 1 1.881 0.02 . 2 . . . . 139 PRO HB3 . 17599 1 114 . 1 1 12 12 PRO HG2 H 1 2.003 0.02 . 1 . . . . 139 PRO HG2 . 17599 1 115 . 1 1 12 12 PRO HG3 H 1 2.003 0.02 . 1 . . . . 139 PRO HG3 . 17599 1 116 . 1 1 12 12 PRO HD2 H 1 3.630 0.02 . 2 . . . . 139 PRO HD2 . 17599 1 117 . 1 1 12 12 PRO HD3 H 1 3.861 0.02 . 2 . . . . 139 PRO HD3 . 17599 1 118 . 1 1 12 12 PRO C C 13 176.929 0.1 . 1 . . . A 139 PRO C . 17599 1 119 . 1 1 12 12 PRO CA C 13 63.319 0.1 . 1 . . . A 139 PRO CA . 17599 1 120 . 1 1 12 12 PRO CB C 13 32.402 0.1 . 1 . . . A 139 PRO CB . 17599 1 121 . 1 1 12 12 PRO CG C 13 27.647 0.1 . 1 . . . A 139 PRO CG . 17599 1 122 . 1 1 12 12 PRO CD C 13 51.254 0.1 . 1 . . . A 139 PRO CD . 17599 1 123 . 1 1 13 13 HIS H H 1 8.384 0.02 . 1 . . . . 140 HIS H . 17599 1 124 . 1 1 13 13 HIS HA H 1 4.518 0.02 . 1 . . . A 140 HIS HA . 17599 1 125 . 1 1 13 13 HIS HB2 H 1 3.084 0.02 . 1 . . . . 140 HIS HB2 . 17599 1 126 . 1 1 13 13 HIS HB3 H 1 3.084 0.02 . 1 . . . . 140 HIS HB3 . 17599 1 127 . 1 1 13 13 HIS HD2 H 1 7.036 0.02 . 1 . . . . 140 HIS HD2 . 17599 1 128 . 1 1 13 13 HIS HE1 H 1 8.038 0.02 . 1 . . . . 140 HIS HE1 . 17599 1 129 . 1 1 13 13 HIS C C 13 174.865 0.1 . 1 . . . A 140 HIS C . 17599 1 130 . 1 1 13 13 HIS CA C 13 56.811 0.1 . 1 . . . A 140 HIS CA . 17599 1 131 . 1 1 13 13 HIS CB C 13 30.397 0.1 . 1 . . . A 140 HIS CB . 17599 1 132 . 1 1 13 13 HIS CD2 C 13 120.397 0.1 . 1 . . . A 140 HIS CD2 . 17599 1 133 . 1 1 13 13 HIS CE1 C 13 138.005 0.1 . 1 . . . A 140 HIS CE1 . 17599 1 134 . 1 1 13 13 HIS N N 15 119.631 0.1 . 1 . . . A 140 HIS N . 17599 1 135 . 1 1 14 14 ASP H H 1 8.248 0.02 . 1 . . . . 141 ASP H . 17599 1 136 . 1 1 14 14 ASP HA H 1 4.547 0.02 . 1 . . . A 141 ASP HA . 17599 1 137 . 1 1 14 14 ASP HB2 H 1 2.575 0.02 . 1 . . . . 141 ASP HB2 . 17599 1 138 . 1 1 14 14 ASP HB3 H 1 2.575 0.02 . 1 . . . . 141 ASP HB3 . 17599 1 139 . 1 1 14 14 ASP C C 13 175.833 0.1 . 1 . . . A 141 ASP C . 17599 1 140 . 1 1 14 14 ASP CA C 13 54.152 0.1 . 1 . . . A 141 ASP CA . 17599 1 141 . 1 1 14 14 ASP CB C 13 41.222 0.1 . 1 . . . A 141 ASP CB . 17599 1 142 . 1 1 14 14 ASP N N 15 120.835 0.1 . 1 . . . A 141 ASP N . 17599 1 143 . 1 1 15 15 PHE H H 1 8.082 0.02 . 1 . . . . 142 PHE H . 17599 1 144 . 1 1 15 15 PHE HA H 1 4.531 0.02 . 1 . . . A 142 PHE HA . 17599 1 145 . 1 1 15 15 PHE HB2 H 1 3.076 0.02 . 1 . . . . 142 PHE HB2 . 17599 1 146 . 1 1 15 15 PHE HB3 H 1 3.076 0.02 . 1 . . . . 142 PHE HB3 . 17599 1 147 . 1 1 15 15 PHE HD1 H 1 7.227 0.02 . 1 . . . . 142 PHE HD1 . 17599 1 148 . 1 1 15 15 PHE HD2 H 1 7.227 0.02 . 1 . . . . 142 PHE HD2 . 17599 1 149 . 1 1 15 15 PHE HE1 H 1 7.359 0.02 . 1 . . . . 142 PHE HE1 . 17599 1 150 . 1 1 15 15 PHE HE2 H 1 7.359 0.02 . 1 . . . . 142 PHE HE2 . 17599 1 151 . 1 1 15 15 PHE C C 13 175.527 0.1 . 1 . . . A 142 PHE C . 17599 1 152 . 1 1 15 15 PHE CA C 13 58.363 0.1 . 1 . . . A 142 PHE CA . 17599 1 153 . 1 1 15 15 PHE CB C 13 39.601 0.1 . 1 . . . A 142 PHE CB . 17599 1 154 . 1 1 15 15 PHE CD1 C 13 132.309 0.1 . 1 . . . A 142 PHE CD1 . 17599 1 155 . 1 1 15 15 PHE CE1 C 13 131.791 0.1 . 1 . . . A 142 PHE CE1 . 17599 1 156 . 1 1 15 15 PHE N N 15 121.185 0.1 . 1 . . . A 142 PHE N . 17599 1 157 . 1 1 16 16 ARG H H 1 8.056 0.02 . 1 . . . . 143 ARG H . 17599 1 158 . 1 1 16 16 ARG HA H 1 4.232 0.02 . 1 . . . A 143 ARG HA . 17599 1 159 . 1 1 16 16 ARG HB2 H 1 1.695 0.02 . 1 . . . . 143 ARG HB2 . 17599 1 160 . 1 1 16 16 ARG HB3 H 1 1.695 0.02 . 1 . . . . 143 ARG HB3 . 17599 1 161 . 1 1 16 16 ARG HG2 H 1 1.486 0.02 . 1 . . . . 143 ARG HG2 . 17599 1 162 . 1 1 16 16 ARG HG3 H 1 1.486 0.02 . 1 . . . . 143 ARG HG3 . 17599 1 163 . 1 1 16 16 ARG HD2 H 1 3.118 0.02 . 1 . . . . 143 ARG HD2 . 17599 1 164 . 1 1 16 16 ARG HD3 H 1 3.118 0.02 . 1 . . . . 143 ARG HD3 . 17599 1 165 . 1 1 16 16 ARG C C 13 175.018 0.1 . 1 . . . A 143 ARG C . 17599 1 166 . 1 1 16 16 ARG CA C 13 55.786 0.1 . 1 . . . A 143 ARG CA . 17599 1 167 . 1 1 16 16 ARG CB C 13 30.800 0.1 . 1 . . . A 143 ARG CB . 17599 1 168 . 1 1 16 16 ARG CG C 13 27.292 0.1 . 1 . . . A 143 ARG CG . 17599 1 169 . 1 1 16 16 ARG CD C 13 43.509 0.1 . 1 . . . A 143 ARG CD . 17599 1 170 . 1 1 16 16 ARG N N 15 123.498 0.1 . 1 . . . A 143 ARG N . 17599 1 171 . 1 1 17 17 CYS H H 1 8.275 0.02 . 1 . . . . 144 CYS H . 17599 1 172 . 1 1 17 17 CYS HA H 1 4.424 0.02 . 1 . . . A 144 CYS HA . 17599 1 173 . 1 1 17 17 CYS HB2 H 1 3.135 0.02 . 2 . . . . 144 CYS HB2 . 17599 1 174 . 1 1 17 17 CYS HB3 H 1 2.850 0.02 . 2 . . . . 144 CYS HB3 . 17599 1 175 . 1 1 17 17 CYS C C 13 175.388 0.1 . 1 . . . A 144 CYS C . 17599 1 176 . 1 1 17 17 CYS CA C 13 57.907 0.1 . 1 . . . A 144 CYS CA . 17599 1 177 . 1 1 17 17 CYS CB C 13 39.004 0.1 . 1 . . . A 144 CYS CB . 17599 1 178 . 1 1 17 17 CYS N N 15 120.924 0.1 . 1 . . . A 144 CYS N . 17599 1 179 . 1 1 18 18 VAL H H 1 8.151 0.02 . 1 . . . . 145 VAL H . 17599 1 180 . 1 1 18 18 VAL HA H 1 4.314 0.02 . 1 . . . A 145 VAL HA . 17599 1 181 . 1 1 18 18 VAL HB H 1 1.930 0.02 . 1 . . . A 145 VAL HB . 17599 1 182 . 1 1 18 18 VAL HG11 H 1 0.953 0.02 . 2 . . . . 145 VAL QG1 . 17599 1 183 . 1 1 18 18 VAL HG12 H 1 0.953 0.02 . 2 . . . . 145 VAL QG1 . 17599 1 184 . 1 1 18 18 VAL HG13 H 1 0.953 0.02 . 2 . . . . 145 VAL QG1 . 17599 1 185 . 1 1 18 18 VAL HG21 H 1 0.928 0.02 . 2 . . . . 145 VAL QG2 . 17599 1 186 . 1 1 18 18 VAL HG22 H 1 0.928 0.02 . 2 . . . . 145 VAL QG2 . 17599 1 187 . 1 1 18 18 VAL HG23 H 1 0.928 0.02 . 2 . . . . 145 VAL QG2 . 17599 1 188 . 1 1 18 18 VAL C C 13 175.938 0.1 . 1 . . . A 145 VAL C . 17599 1 189 . 1 1 18 18 VAL CA C 13 61.926 0.1 . 1 . . . A 145 VAL CA . 17599 1 190 . 1 1 18 18 VAL CB C 13 34.699 0.1 . 1 . . . A 145 VAL CB . 17599 1 191 . 1 1 18 18 VAL CG1 C 13 21.066 0.1 . 1 . . . A 145 VAL CG1 . 17599 1 192 . 1 1 18 18 VAL CG2 C 13 21.066 0.1 . 1 . . . A 145 VAL CG2 . 17599 1 193 . 1 1 18 18 VAL N N 15 127.748 0.1 . 1 . . . A 145 VAL N . 17599 1 194 . 1 1 19 19 SER H H 1 8.802 0.02 . 1 . . . . 146 SER H . 17599 1 195 . 1 1 19 19 SER HA H 1 4.899 0.02 . 1 . . . A 146 SER HA . 17599 1 196 . 1 1 19 19 SER HB2 H 1 3.990 0.02 . 1 . . . . 146 SER HB2 . 17599 1 197 . 1 1 19 19 SER HB3 H 1 3.990 0.02 . 1 . . . . 146 SER HB3 . 17599 1 198 . 1 1 19 19 SER C C 13 174.240 0.1 . 1 . . . A 146 SER C . 17599 1 199 . 1 1 19 19 SER CA C 13 59.841 0.1 . 1 . . . A 146 SER CA . 17599 1 200 . 1 1 19 19 SER CB C 13 63.530 0.1 . 1 . . . A 146 SER CB . 17599 1 201 . 1 1 19 19 SER N N 15 128.141 0.1 . 1 . . . A 146 SER N . 17599 1 202 . 1 1 20 20 ALA H H 1 8.754 0.02 . 1 . . . . 147 ALA H . 17599 1 203 . 1 1 20 20 ALA HA H 1 4.569 0.02 . 1 . . . A 147 ALA HA . 17599 1 204 . 1 1 20 20 ALA HB1 H 1 1.346 0.02 . 1 . . . . 147 ALA QB . 17599 1 205 . 1 1 20 20 ALA HB2 H 1 1.346 0.02 . 1 . . . . 147 ALA QB . 17599 1 206 . 1 1 20 20 ALA HB3 H 1 1.346 0.02 . 1 . . . . 147 ALA QB . 17599 1 207 . 1 1 20 20 ALA C C 13 175.742 0.1 . 1 . . . A 147 ALA C . 17599 1 208 . 1 1 20 20 ALA CA C 13 52.615 0.1 . 1 . . . A 147 ALA CA . 17599 1 209 . 1 1 20 20 ALA CB C 13 23.131 0.1 . 1 . . . A 147 ALA CB . 17599 1 210 . 1 1 20 20 ALA N N 15 127.076 0.1 . 1 . . . A 147 ALA N . 17599 1 211 . 1 1 21 21 ILE H H 1 8.306 0.02 . 1 . . . . 148 ILE H . 17599 1 212 . 1 1 21 21 ILE HA H 1 4.638 0.02 . 1 . . . A 148 ILE HA . 17599 1 213 . 1 1 21 21 ILE HB H 1 1.679 0.02 . 1 . . . A 148 ILE HB . 17599 1 214 . 1 1 21 21 ILE HG12 H 1 1.774 0.02 . 1 . . . . 148 ILE HG12 . 17599 1 215 . 1 1 21 21 ILE HG13 H 1 1.774 0.02 . 1 . . . . 148 ILE HG13 . 17599 1 216 . 1 1 21 21 ILE HG21 H 1 1.012 0.02 . 1 . . . . 148 ILE QG2 . 17599 1 217 . 1 1 21 21 ILE HG22 H 1 1.012 0.02 . 1 . . . . 148 ILE QG2 . 17599 1 218 . 1 1 21 21 ILE HG23 H 1 1.012 0.02 . 1 . . . . 148 ILE QG2 . 17599 1 219 . 1 1 21 21 ILE HD11 H 1 0.901 0.02 . 1 . . . . 148 ILE QD1 . 17599 1 220 . 1 1 21 21 ILE HD12 H 1 0.901 0.02 . 1 . . . . 148 ILE QD1 . 17599 1 221 . 1 1 21 21 ILE HD13 H 1 0.901 0.02 . 1 . . . . 148 ILE QD1 . 17599 1 222 . 1 1 21 21 ILE C C 13 176.824 0.1 . 1 . . . A 148 ILE C . 17599 1 223 . 1 1 21 21 ILE CA C 13 62.584 0.1 . 1 . . . A 148 ILE CA . 17599 1 224 . 1 1 21 21 ILE CB C 13 38.734 0.1 . 1 . . . A 148 ILE CB . 17599 1 225 . 1 1 21 21 ILE CG1 C 13 29.566 0.1 . 1 . . . A 148 ILE CG1 . 17599 1 226 . 1 1 21 21 ILE CG2 C 13 18.237 0.1 . 1 . . . A 148 ILE CG2 . 17599 1 227 . 1 1 21 21 ILE CD1 C 13 13.705 0.1 . 1 . . . A 148 ILE CD1 . 17599 1 228 . 1 1 21 21 ILE N N 15 120.900 0.1 . 1 . . . A 148 ILE N . 17599 1 229 . 1 1 22 22 ILE H H 1 8.826 0.02 . 1 . . . . 149 ILE H . 17599 1 230 . 1 1 22 22 ILE HA H 1 4.878 0.02 . 1 . . . A 149 ILE HA . 17599 1 231 . 1 1 22 22 ILE HB H 1 1.908 0.02 . 1 . . . A 149 ILE HB . 17599 1 232 . 1 1 22 22 ILE HG21 H 1 0.866 0.02 . 1 . . . . 149 ILE QG2 . 17599 1 233 . 1 1 22 22 ILE HG22 H 1 0.866 0.02 . 1 . . . . 149 ILE QG2 . 17599 1 234 . 1 1 22 22 ILE HG23 H 1 0.866 0.02 . 1 . . . . 149 ILE QG2 . 17599 1 235 . 1 1 22 22 ILE HD11 H 1 0.752 0.02 . 1 . . . . 149 ILE QD1 . 17599 1 236 . 1 1 22 22 ILE HD12 H 1 0.752 0.02 . 1 . . . . 149 ILE QD1 . 17599 1 237 . 1 1 22 22 ILE HD13 H 1 0.752 0.02 . 1 . . . . 149 ILE QD1 . 17599 1 238 . 1 1 22 22 ILE C C 13 174.294 0.1 . 1 . . . A 149 ILE C . 17599 1 239 . 1 1 22 22 ILE CA C 13 59.832 0.1 . 1 . . . A 149 ILE CA . 17599 1 240 . 1 1 22 22 ILE CB C 13 42.478 0.1 . 1 . . . A 149 ILE CB . 17599 1 241 . 1 1 22 22 ILE CG2 C 13 17.913 0.1 . 1 . . . A 149 ILE CG2 . 17599 1 242 . 1 1 22 22 ILE CD1 C 13 14.676 0.1 . 1 . . . A 149 ILE CD1 . 17599 1 243 . 1 1 22 22 ILE N N 15 121.360 0.1 . 1 . . . A 149 ILE N . 17599 1 244 . 1 1 23 23 ASP H H 1 8.532 0.02 . 1 . . . . 150 ASP H . 17599 1 245 . 1 1 23 23 ASP HA H 1 4.352 0.02 . 1 . . . A 150 ASP HA . 17599 1 246 . 1 1 23 23 ASP HB2 H 1 3.002 0.02 . 2 . . . . 150 ASP HB2 . 17599 1 247 . 1 1 23 23 ASP HB3 H 1 2.741 0.02 . 2 . . . . 150 ASP HB3 . 17599 1 248 . 1 1 23 23 ASP C C 13 176.859 0.1 . 1 . . . A 150 ASP C . 17599 1 249 . 1 1 23 23 ASP CA C 13 55.554 0.1 . 1 . . . A 150 ASP CA . 17599 1 250 . 1 1 23 23 ASP CB C 13 39.300 0.1 . 1 . . . A 150 ASP CB . 17599 1 251 . 1 1 23 23 ASP N N 15 115.507 0.1 . 1 . . . A 150 ASP N . 17599 1 252 . 1 1 24 24 VAL H H 1 7.913 0.02 . 1 . . . . 151 VAL H . 17599 1 253 . 1 1 24 24 VAL HA H 1 3.692 0.02 . 1 . . . A 151 VAL HA . 17599 1 254 . 1 1 24 24 VAL HB H 1 2.112 0.02 . 1 . . . A 151 VAL HB . 17599 1 255 . 1 1 24 24 VAL HG11 H 1 0.970 0.02 . 2 . . . . 151 VAL QG1 . 17599 1 256 . 1 1 24 24 VAL HG12 H 1 0.970 0.02 . 2 . . . . 151 VAL QG1 . 17599 1 257 . 1 1 24 24 VAL HG13 H 1 0.970 0.02 . 2 . . . . 151 VAL QG1 . 17599 1 258 . 1 1 24 24 VAL HG21 H 1 0.994 0.02 . 2 . . . . 151 VAL QG2 . 17599 1 259 . 1 1 24 24 VAL HG22 H 1 0.994 0.02 . 2 . . . . 151 VAL QG2 . 17599 1 260 . 1 1 24 24 VAL HG23 H 1 0.994 0.02 . 2 . . . . 151 VAL QG2 . 17599 1 261 . 1 1 24 24 VAL C C 13 176.931 0.1 . 1 . . . A 151 VAL C . 17599 1 262 . 1 1 24 24 VAL CA C 13 65.537 0.1 . 1 . . . A 151 VAL CA . 17599 1 263 . 1 1 24 24 VAL CB C 13 31.711 0.1 . 1 . . . A 151 VAL CB . 17599 1 264 . 1 1 24 24 VAL CG1 C 13 21.766 0.1 . 1 . . . A 151 VAL CG1 . 17599 1 265 . 1 1 24 24 VAL CG2 C 13 21.766 0.1 . 1 . . . A 151 VAL CG2 . 17599 1 266 . 1 1 24 24 VAL N N 15 114.410 0.1 . 1 . . . A 151 VAL N . 17599 1 267 . 1 1 25 25 ASP H H 1 8.865 0.02 . 1 . . . . 152 ASP H . 17599 1 268 . 1 1 25 25 ASP HA H 1 4.552 0.02 . 1 . . . A 152 ASP HA . 17599 1 269 . 1 1 25 25 ASP HB2 H 1 2.738 0.02 . 2 . . . . 152 ASP HB2 . 17599 1 270 . 1 1 25 25 ASP HB3 H 1 2.675 0.02 . 2 . . . . 152 ASP HB3 . 17599 1 271 . 1 1 25 25 ASP C C 13 176.752 0.1 . 1 . . . A 152 ASP C . 17599 1 272 . 1 1 25 25 ASP CA C 13 55.138 0.1 . 1 . . . A 152 ASP CA . 17599 1 273 . 1 1 25 25 ASP CB C 13 40.037 0.1 . 1 . . . A 152 ASP CB . 17599 1 274 . 1 1 25 25 ASP N N 15 115.271 0.1 . 1 . . . A 152 ASP N . 17599 1 275 . 1 1 26 26 ILE H H 1 7.496 0.02 . 1 . . . . 153 ILE H . 17599 1 276 . 1 1 26 26 ILE HA H 1 4.417 0.02 . 1 . . . A 153 ILE HA . 17599 1 277 . 1 1 26 26 ILE HB H 1 1.938 0.02 . 1 . . . A 153 ILE HB . 17599 1 278 . 1 1 26 26 ILE HG12 H 1 1.361 0.02 . 2 . . . . 153 ILE HG12 . 17599 1 279 . 1 1 26 26 ILE HG13 H 1 1.008 0.02 . 2 . . . . 153 ILE HG13 . 17599 1 280 . 1 1 26 26 ILE HG21 H 1 0.845 0.02 . 1 . . . . 153 ILE QG2 . 17599 1 281 . 1 1 26 26 ILE HG22 H 1 0.845 0.02 . 1 . . . . 153 ILE QG2 . 17599 1 282 . 1 1 26 26 ILE HG23 H 1 0.845 0.02 . 1 . . . . 153 ILE QG2 . 17599 1 283 . 1 1 26 26 ILE HD11 H 1 0.798 0.02 . 1 . . . . 153 ILE QD1 . 17599 1 284 . 1 1 26 26 ILE HD12 H 1 0.798 0.02 . 1 . . . . 153 ILE QD1 . 17599 1 285 . 1 1 26 26 ILE HD13 H 1 0.798 0.02 . 1 . . . . 153 ILE QD1 . 17599 1 286 . 1 1 26 26 ILE C C 13 176.189 0.1 . 1 . . . A 153 ILE C . 17599 1 287 . 1 1 26 26 ILE CA C 13 61.989 0.1 . 1 . . . A 153 ILE CA . 17599 1 288 . 1 1 26 26 ILE CB C 13 40.667 0.1 . 1 . . . A 153 ILE CB . 17599 1 289 . 1 1 26 26 ILE CG1 C 13 27.300 0.1 . 1 . . . A 153 ILE CG1 . 17599 1 290 . 1 1 26 26 ILE CG2 C 13 17.617 0.1 . 1 . . . A 153 ILE CG2 . 17599 1 291 . 1 1 26 26 ILE CD1 C 13 13.266 0.1 . 1 . . . A 153 ILE CD1 . 17599 1 292 . 1 1 26 26 ILE N N 15 114.435 0.1 . 1 . . . A 153 ILE N . 17599 1 293 . 1 1 27 27 VAL H H 1 7.496 0.02 . 1 . . . . 154 VAL H . 17599 1 294 . 1 1 27 27 VAL HA H 1 4.477 0.02 . 1 . . . A 154 VAL HA . 17599 1 295 . 1 1 27 27 VAL HB H 1 2.141 0.02 . 1 . . . A 154 VAL HB . 17599 1 296 . 1 1 27 27 VAL HG11 H 1 1.052 0.02 . 2 . . . . 154 VAL QG1 . 17599 1 297 . 1 1 27 27 VAL HG12 H 1 1.052 0.02 . 2 . . . . 154 VAL QG1 . 17599 1 298 . 1 1 27 27 VAL HG13 H 1 1.052 0.02 . 2 . . . . 154 VAL QG1 . 17599 1 299 . 1 1 27 27 VAL HG21 H 1 1.013 0.02 . 2 . . . . 154 VAL QG2 . 17599 1 300 . 1 1 27 27 VAL HG22 H 1 1.013 0.02 . 2 . . . . 154 VAL QG2 . 17599 1 301 . 1 1 27 27 VAL HG23 H 1 1.013 0.02 . 2 . . . . 154 VAL QG2 . 17599 1 302 . 1 1 27 27 VAL C C 13 174.032 0.1 . 1 . . . A 154 VAL C . 17599 1 303 . 1 1 27 27 VAL CA C 13 59.994 0.1 . 1 . . . A 154 VAL CA . 17599 1 304 . 1 1 27 27 VAL CB C 13 32.800 0.1 . 1 . . . A 154 VAL CB . 17599 1 305 . 1 1 27 27 VAL CG1 C 13 21.797 0.1 . 1 . . . A 154 VAL CG1 . 17599 1 306 . 1 1 27 27 VAL CG2 C 13 21.066 0.1 . 1 . . . A 154 VAL CG2 . 17599 1 307 . 1 1 27 27 VAL N N 15 120.655 0.1 . 1 . . . A 154 VAL N . 17599 1 308 . 1 1 28 28 PRO HA H 1 4.400 0.02 . 1 . . . A 155 PRO HA . 17599 1 309 . 1 1 28 28 PRO HB2 H 1 1.562 0.02 . 2 . . . . 155 PRO HB2 . 17599 1 310 . 1 1 28 28 PRO HB3 H 1 2.266 0.02 . 2 . . . . 155 PRO HB3 . 17599 1 311 . 1 1 28 28 PRO HG2 H 1 1.787 0.02 . 1 . . . . 155 PRO HG2 . 17599 1 312 . 1 1 28 28 PRO HG3 H 1 1.787 0.02 . 1 . . . . 155 PRO HG3 . 17599 1 313 . 1 1 28 28 PRO HD2 H 1 3.753 0.02 . 2 . . . . 155 PRO HD2 . 17599 1 314 . 1 1 28 28 PRO HD3 H 1 3.338 0.02 . 2 . . . . 155 PRO HD3 . 17599 1 315 . 1 1 28 28 PRO C C 13 177.302 0.1 . 1 . . . A 155 PRO C . 17599 1 316 . 1 1 28 28 PRO CA C 13 63.214 0.1 . 1 . . . A 155 PRO CA . 17599 1 317 . 1 1 28 28 PRO CB C 13 32.603 0.1 . 1 . . . A 155 PRO CB . 17599 1 318 . 1 1 28 28 PRO CG C 13 27.624 0.1 . 1 . . . A 155 PRO CG . 17599 1 319 . 1 1 28 28 PRO CD C 13 50.931 0.1 . 1 . . . A 155 PRO CD . 17599 1 320 . 1 1 29 29 GLU H H 1 8.802 0.02 . 1 . . . . 156 GLU H . 17599 1 321 . 1 1 29 29 GLU HA H 1 4.254 0.02 . 1 . . . A 156 GLU HA . 17599 1 322 . 1 1 29 29 GLU HB2 H 1 2.150 0.02 . 1 . . . . 156 GLU HB2 . 17599 1 323 . 1 1 29 29 GLU HB3 H 1 2.150 0.02 . 1 . . . . 156 GLU HB3 . 17599 1 324 . 1 1 29 29 GLU HG2 H 1 2.378 0.02 . 1 . . . . 156 GLU HG2 . 17599 1 325 . 1 1 29 29 GLU HG3 H 1 2.378 0.02 . 1 . . . . 156 GLU HG3 . 17599 1 326 . 1 1 29 29 GLU C C 13 176.922 0.1 . 1 . . . A 156 GLU C . 17599 1 327 . 1 1 29 29 GLU CA C 13 59.075 0.1 . 1 . . . A 156 GLU CA . 17599 1 328 . 1 1 29 29 GLU CB C 13 29.777 0.1 . 1 . . . A 156 GLU CB . 17599 1 329 . 1 1 29 29 GLU CG C 13 36.364 0.1 . 1 . . . A 156 GLU CG . 17599 1 330 . 1 1 29 29 GLU N N 15 119.208 0.1 . 1 . . . A 156 GLU N . 17599 1 331 . 1 1 30 30 THR H H 1 7.370 0.02 . 1 . . . . 157 THR H . 17599 1 332 . 1 1 30 30 THR HA H 1 4.205 0.02 . 1 . . . A 157 THR HA . 17599 1 333 . 1 1 30 30 THR HB H 1 4.109 0.02 . 1 . . . A 157 THR HB . 17599 1 334 . 1 1 30 30 THR HG21 H 1 1.290 0.02 . 1 . . . . 157 THR QG2 . 17599 1 335 . 1 1 30 30 THR HG22 H 1 1.290 0.02 . 1 . . . . 157 THR QG2 . 17599 1 336 . 1 1 30 30 THR HG23 H 1 1.290 0.02 . 1 . . . . 157 THR QG2 . 17599 1 337 . 1 1 30 30 THR C C 13 173.996 0.1 . 1 . . . A 157 THR C . 17599 1 338 . 1 1 30 30 THR CA C 13 62.433 0.1 . 1 . . . A 157 THR CA . 17599 1 339 . 1 1 30 30 THR CB C 13 70.124 0.1 . 1 . . . A 157 THR CB . 17599 1 340 . 1 1 30 30 THR CG2 C 13 22.460 0.1 . 1 . . . A 157 THR CG2 . 17599 1 341 . 1 1 30 30 THR N N 15 107.534 0.1 . 1 . . . A 157 THR N . 17599 1 342 . 1 1 31 31 HIS H H 1 8.387 0.02 . 1 . . . . 158 HIS H . 17599 1 343 . 1 1 31 31 HIS HA H 1 5.423 0.02 . 1 . . . A 158 HIS HA . 17599 1 344 . 1 1 31 31 HIS HB2 H 1 2.986 0.02 . 2 . . . . 158 HIS HB2 . 17599 1 345 . 1 1 31 31 HIS HB3 H 1 2.750 0.02 . 2 . . . . 158 HIS HB3 . 17599 1 346 . 1 1 31 31 HIS HD2 H 1 6.654 0.02 . 1 . . . . 158 HIS HD2 . 17599 1 347 . 1 1 31 31 HIS HE1 H 1 7.702 0.02 . 1 . . . . 158 HIS HE1 . 17599 1 348 . 1 1 31 31 HIS C C 13 174.392 0.1 . 1 . . . A 158 HIS C . 17599 1 349 . 1 1 31 31 HIS CA C 13 54.450 0.1 . 1 . . . A 158 HIS CA . 17599 1 350 . 1 1 31 31 HIS CB C 13 34.400 0.1 . 1 . . . A 158 HIS CB . 17599 1 351 . 1 1 31 31 HIS CD2 C 13 118.584 0.1 . 1 . . . A 158 HIS CD2 . 17599 1 352 . 1 1 31 31 HIS CE1 C 13 139.041 0.1 . 1 . . . A 158 HIS CE1 . 17599 1 353 . 1 1 31 31 HIS N N 15 120.928 0.1 . 1 . . . A 158 HIS N . 17599 1 354 . 1 1 32 32 ARG H H 1 9.170 0.02 . 1 . . . . 159 ARG H . 17599 1 355 . 1 1 32 32 ARG HA H 1 4.525 0.02 . 1 . . . A 159 ARG HA . 17599 1 356 . 1 1 32 32 ARG HB2 H 1 1.776 0.02 . 2 . . . . 159 ARG HB2 . 17599 1 357 . 1 1 32 32 ARG HB3 H 1 1.544 0.02 . 2 . . . . 159 ARG HB3 . 17599 1 358 . 1 1 32 32 ARG HG2 H 1 1.399 0.02 . 2 . . . . 159 ARG HG2 . 17599 1 359 . 1 1 32 32 ARG HG3 H 1 1.655 0.02 . 2 . . . . 159 ARG HG3 . 17599 1 360 . 1 1 32 32 ARG HD2 H 1 3.031 0.02 . 2 . . . . 159 ARG HD2 . 17599 1 361 . 1 1 32 32 ARG HD3 H 1 3.169 0.02 . 2 . . . . 159 ARG HD3 . 17599 1 362 . 1 1 32 32 ARG C C 13 172.952 0.1 . 1 . . . A 159 ARG C . 17599 1 363 . 1 1 32 32 ARG CA C 13 55.781 0.1 . 1 . . . A 159 ARG CA . 17599 1 364 . 1 1 32 32 ARG CB C 13 34.348 0.1 . 1 . . . A 159 ARG CB . 17599 1 365 . 1 1 32 32 ARG CG C 13 26.977 0.1 . 1 . . . A 159 ARG CG . 17599 1 366 . 1 1 32 32 ARG CD C 13 43.834 0.1 . 1 . . . A 159 ARG CD . 17599 1 367 . 1 1 32 32 ARG N N 15 120.142 0.1 . 1 . . . A 159 ARG N . 17599 1 368 . 1 1 33 33 ARG H H 1 10.258 0.02 . 1 . . . . 160 ARG H . 17599 1 369 . 1 1 33 33 ARG HA H 1 5.230 0.02 . 1 . . . A 160 ARG HA . 17599 1 370 . 1 1 33 33 ARG HB2 H 1 1.955 0.02 . 2 . . . . 160 ARG HB2 . 17599 1 371 . 1 1 33 33 ARG HB3 H 1 1.688 0.02 . 2 . . . . 160 ARG HB3 . 17599 1 372 . 1 1 33 33 ARG C C 13 173.883 0.1 . 1 . . . A 160 ARG C . 17599 1 373 . 1 1 33 33 ARG CA C 13 55.527 0.1 . 1 . . . A 160 ARG CA . 17599 1 374 . 1 1 33 33 ARG CB C 13 32.779 0.1 . 1 . . . A 160 ARG CB . 17599 1 375 . 1 1 33 33 ARG N N 15 131.980 0.1 . 1 . . . A 160 ARG N . 17599 1 376 . 1 1 34 34 VAL H H 1 9.198 0.02 . 1 . . . . 161 VAL H . 17599 1 377 . 1 1 34 34 VAL HA H 1 4.837 0.02 . 1 . . . A 161 VAL HA . 17599 1 378 . 1 1 34 34 VAL HB H 1 1.944 0.02 . 1 . . . A 161 VAL HB . 17599 1 379 . 1 1 34 34 VAL HG11 H 1 0.870 0.02 . 2 . . . . 161 VAL QG1 . 17599 1 380 . 1 1 34 34 VAL HG12 H 1 0.870 0.02 . 2 . . . . 161 VAL QG1 . 17599 1 381 . 1 1 34 34 VAL HG13 H 1 0.870 0.02 . 2 . . . . 161 VAL QG1 . 17599 1 382 . 1 1 34 34 VAL HG21 H 1 0.784 0.02 . 2 . . . . 161 VAL QG2 . 17599 1 383 . 1 1 34 34 VAL HG22 H 1 0.784 0.02 . 2 . . . . 161 VAL QG2 . 17599 1 384 . 1 1 34 34 VAL HG23 H 1 0.784 0.02 . 2 . . . . 161 VAL QG2 . 17599 1 385 . 1 1 34 34 VAL C C 13 173.668 0.1 . 1 . . . A 161 VAL C . 17599 1 386 . 1 1 34 34 VAL CA C 13 59.940 0.1 . 1 . . . A 161 VAL CA . 17599 1 387 . 1 1 34 34 VAL CB C 13 35.213 0.1 . 1 . . . A 161 VAL CB . 17599 1 388 . 1 1 34 34 VAL CG1 C 13 22.274 0.1 . 1 . . . A 161 VAL CG1 . 17599 1 389 . 1 1 34 34 VAL CG2 C 13 20.503 0.1 . 1 . . . A 161 VAL CG2 . 17599 1 390 . 1 1 34 34 VAL N N 15 123.390 0.1 . 1 . . . A 161 VAL N . 17599 1 391 . 1 1 35 35 ARG H H 1 8.946 0.02 . 1 . . . . 162 ARG H . 17599 1 392 . 1 1 35 35 ARG HA H 1 5.218 0.02 . 1 . . . A 162 ARG HA . 17599 1 393 . 1 1 35 35 ARG HB2 H 1 2.049 0.02 . 2 . . . . 162 ARG HB2 . 17599 1 394 . 1 1 35 35 ARG HB3 H 1 1.488 0.02 . 2 . . . . 162 ARG HB3 . 17599 1 395 . 1 1 35 35 ARG HG2 H 1 1.483 0.02 . 2 . . . . 162 ARG HG2 . 17599 1 396 . 1 1 35 35 ARG HG3 H 1 1.331 0.02 . 2 . . . . 162 ARG HG3 . 17599 1 397 . 1 1 35 35 ARG HD2 H 1 3.305 0.02 . 1 . . . . 162 ARG HD2 . 17599 1 398 . 1 1 35 35 ARG HD3 H 1 3.305 0.02 . 1 . . . . 162 ARG HD3 . 17599 1 399 . 1 1 35 35 ARG C C 13 174.759 0.1 . 1 . . . A 162 ARG C . 17599 1 400 . 1 1 35 35 ARG CA C 13 54.450 0.1 . 1 . . . A 162 ARG CA . 17599 1 401 . 1 1 35 35 ARG CB C 13 33.342 0.1 . 1 . . . A 162 ARG CB . 17599 1 402 . 1 1 35 35 ARG CG C 13 27.948 0.1 . 1 . . . A 162 ARG CG . 17599 1 403 . 1 1 35 35 ARG CD C 13 44.457 0.1 . 1 . . . A 162 ARG CD . 17599 1 404 . 1 1 35 35 ARG N N 15 125.585 0.1 . 1 . . . A 162 ARG N . 17599 1 405 . 1 1 36 36 LEU H H 1 9.333 0.02 . 1 . . . . 163 LEU H . 17599 1 406 . 1 1 36 36 LEU HA H 1 4.749 0.02 . 1 . . . A 163 LEU HA . 17599 1 407 . 1 1 36 36 LEU HB2 H 1 1.702 0.02 . 2 . . . . 163 LEU HB2 . 17599 1 408 . 1 1 36 36 LEU HB3 H 1 1.398 0.02 . 2 . . . . 163 LEU HB3 . 17599 1 409 . 1 1 36 36 LEU HG H 1 1.546 0.02 . 1 . . . A 163 LEU HG . 17599 1 410 . 1 1 36 36 LEU HD11 H 1 0.817 0.02 . 1 . . . . 163 LEU QD1 . 17599 1 411 . 1 1 36 36 LEU HD12 H 1 0.817 0.02 . 1 . . . . 163 LEU QD1 . 17599 1 412 . 1 1 36 36 LEU HD13 H 1 0.817 0.02 . 1 . . . . 163 LEU QD1 . 17599 1 413 . 1 1 36 36 LEU HD21 H 1 0.817 0.02 . 1 . . . . 163 LEU QD2 . 17599 1 414 . 1 1 36 36 LEU HD22 H 1 0.817 0.02 . 1 . . . . 163 LEU QD2 . 17599 1 415 . 1 1 36 36 LEU HD23 H 1 0.817 0.02 . 1 . . . . 163 LEU QD2 . 17599 1 416 . 1 1 36 36 LEU C C 13 175.867 0.1 . 1 . . . A 163 LEU C . 17599 1 417 . 1 1 36 36 LEU CA C 13 53.212 0.1 . 1 . . . A 163 LEU CA . 17599 1 418 . 1 1 36 36 LEU CB C 13 43.976 0.1 . 1 . . . A 163 LEU CB . 17599 1 419 . 1 1 36 36 LEU CG C 13 27.300 0.1 . 1 . . . A 163 LEU CG . 17599 1 420 . 1 1 36 36 LEU CD1 C 13 25.035 0.1 . 1 . . . A 163 LEU CD1 . 17599 1 421 . 1 1 36 36 LEU CD2 C 13 24.063 0.1 . 1 . . . A 163 LEU CD2 . 17599 1 422 . 1 1 36 36 LEU N N 15 125.752 0.1 . 1 . . . A 163 LEU N . 17599 1 423 . 1 1 37 37 CYS H H 1 8.158 0.02 . 1 . . . . 164 CYS H . 17599 1 424 . 1 1 37 37 CYS HA H 1 4.652 0.02 . 1 . . . A 164 CYS HA . 17599 1 425 . 1 1 37 37 CYS HB2 H 1 2.981 0.02 . 2 . . . . 164 CYS HB2 . 17599 1 426 . 1 1 37 37 CYS HB3 H 1 2.817 0.02 . 2 . . . . 164 CYS HB3 . 17599 1 427 . 1 1 37 37 CYS C C 13 173.587 0.1 . 1 . . . A 164 CYS C . 17599 1 428 . 1 1 37 37 CYS CA C 13 55.682 0.1 . 1 . . . A 164 CYS CA . 17599 1 429 . 1 1 37 37 CYS CB C 13 42.838 0.1 . 1 . . . A 164 CYS CB . 17599 1 430 . 1 1 37 37 CYS N N 15 123.015 0.1 . 1 . . . A 164 CYS N . 17599 1 431 . 1 1 38 38 LYS H H 1 8.198 0.02 . 1 . . . . 165 LYS H . 17599 1 432 . 1 1 38 38 LYS HA H 1 5.078 0.02 . 1 . . . A 165 LYS HA . 17599 1 433 . 1 1 38 38 LYS HB2 H 1 1.681 0.02 . 2 . . . . 165 LYS HB2 . 17599 1 434 . 1 1 38 38 LYS HB3 H 1 1.870 0.02 . 2 . . . . 165 LYS HB3 . 17599 1 435 . 1 1 38 38 LYS HG2 H 1 1.439 0.02 . 2 . . . . 165 LYS HG2 . 17599 1 436 . 1 1 38 38 LYS HG3 H 1 1.309 0.02 . 2 . . . . 165 LYS HG3 . 17599 1 437 . 1 1 38 38 LYS HD2 H 1 1.642 0.02 . 1 . . . . 165 LYS HD2 . 17599 1 438 . 1 1 38 38 LYS HD3 H 1 1.642 0.02 . 1 . . . . 165 LYS HD3 . 17599 1 439 . 1 1 38 38 LYS HE2 H 1 2.970 0.02 . 1 . . . . 165 LYS HE2 . 17599 1 440 . 1 1 38 38 LYS HE3 H 1 2.970 0.02 . 1 . . . . 165 LYS HE3 . 17599 1 441 . 1 1 38 38 LYS C C 13 176.320 0.1 . 1 . . . A 165 LYS C . 17599 1 442 . 1 1 38 38 LYS CA C 13 55.786 0.1 . 1 . . . A 165 LYS CA . 17599 1 443 . 1 1 38 38 LYS CB C 13 33.775 0.1 . 1 . . . A 165 LYS CB . 17599 1 444 . 1 1 38 38 LYS CG C 13 25.695 0.1 . 1 . . . A 165 LYS CG . 17599 1 445 . 1 1 38 38 LYS CD C 13 29.890 0.1 . 1 . . . A 165 LYS CD . 17599 1 446 . 1 1 38 38 LYS CE C 13 42.514 0.1 . 1 . . . A 165 LYS CE . 17599 1 447 . 1 1 38 38 LYS N N 15 110.390 0.1 . 1 . . . A 165 LYS N . 17599 1 448 . 1 1 39 39 HIS H H 1 8.648 0.02 . 1 . . . . 166 HIS H . 17599 1 449 . 1 1 39 39 HIS HA H 1 4.901 0.02 . 1 . . . A 166 HIS HA . 17599 1 450 . 1 1 39 39 HIS HB2 H 1 3.154 0.02 . 2 . . . . 166 HIS HB2 . 17599 1 451 . 1 1 39 39 HIS HB3 H 1 2.855 0.02 . 2 . . . . 166 HIS HB3 . 17599 1 452 . 1 1 39 39 HIS HD2 H 1 7.084 0.02 . 1 . . . . 166 HIS HD2 . 17599 1 453 . 1 1 39 39 HIS HE1 H 1 7.997 0.02 . 1 . . . . 166 HIS HE1 . 17599 1 454 . 1 1 39 39 HIS C C 13 172.807 0.1 . 1 . . . A 166 HIS C . 17599 1 455 . 1 1 39 39 HIS CA C 13 53.579 0.1 . 1 . . . A 166 HIS CA . 17599 1 456 . 1 1 39 39 HIS CB C 13 30.537 0.1 . 1 . . . A 166 HIS CB . 17599 1 457 . 1 1 39 39 HIS CD2 C 13 120.138 0.1 . 1 . . . A 166 HIS CD2 . 17599 1 458 . 1 1 39 39 HIS CE1 C 13 138.523 0.1 . 1 . . . A 166 HIS CE1 . 17599 1 459 . 1 1 39 39 HIS N N 15 120.671 0.1 . 1 . . . A 166 HIS N . 17599 1 460 . 1 1 40 40 GLY C C 13 174.303 0.1 . 1 . . . A 167 GLY C . 17599 1 461 . 1 1 40 40 GLY CA C 13 45.672 0.1 . 1 . . . A 167 GLY CA . 17599 1 462 . 1 1 41 41 SER H H 1 8.349 0.02 . 1 . . . . 168 SER H . 17599 1 463 . 1 1 41 41 SER HA H 1 4.477 0.02 . 1 . . . A 168 SER HA . 17599 1 464 . 1 1 41 41 SER HB2 H 1 3.870 0.02 . 1 . . . . 168 SER HB2 . 17599 1 465 . 1 1 41 41 SER HB3 H 1 3.870 0.02 . 1 . . . . 168 SER HB3 . 17599 1 466 . 1 1 41 41 SER C C 13 174.607 0.1 . 1 . . . A 168 SER C . 17599 1 467 . 1 1 41 41 SER CB C 13 64.557 0.1 . 1 . . . A 168 SER CB . 17599 1 468 . 1 1 41 41 SER N N 15 123.498 0.1 . 1 . . . A 168 SER N . 17599 1 469 . 1 1 42 42 ASP H H 1 8.592 0.02 . 1 . . . . 169 ASP H . 17599 1 470 . 1 1 42 42 ASP HA H 1 4.620 0.02 . 1 . . . A 169 ASP HA . 17599 1 471 . 1 1 42 42 ASP HB2 H 1 2.741 0.02 . 2 . . . . 169 ASP HB2 . 17599 1 472 . 1 1 42 42 ASP HB3 H 1 2.571 0.02 . 2 . . . . 169 ASP HB3 . 17599 1 473 . 1 1 42 42 ASP C C 13 176.064 0.1 . 1 . . . A 169 ASP C . 17599 1 474 . 1 1 42 42 ASP CA C 13 54.387 0.1 . 1 . . . A 169 ASP CA . 17599 1 475 . 1 1 42 42 ASP CB C 13 41.044 0.1 . 1 . . . A 169 ASP CB . 17599 1 476 . 1 1 42 42 ASP N N 15 121.620 0.1 . 1 . . . A 169 ASP N . 17599 1 477 . 1 1 43 43 LYS H H 1 7.830 0.02 . 1 . . . . 170 LYS H . 17599 1 478 . 1 1 43 43 LYS HA H 1 4.627 0.02 . 1 . . . A 170 LYS HA . 17599 1 479 . 1 1 43 43 LYS HB2 H 1 1.815 0.02 . 2 . . . . 170 LYS HB2 . 17599 1 480 . 1 1 43 43 LYS HB3 H 1 1.696 0.02 . 2 . . . . 170 LYS HB3 . 17599 1 481 . 1 1 43 43 LYS HG2 H 1 1.423 0.02 . 2 . . . . 170 LYS HG2 . 17599 1 482 . 1 1 43 43 LYS HG3 H 1 1.302 0.02 . 2 . . . . 170 LYS HG3 . 17599 1 483 . 1 1 43 43 LYS HD2 H 1 1.654 0.02 . 2 . . . . 170 LYS HD2 . 17599 1 484 . 1 1 43 43 LYS HD3 H 1 1.459 0.02 . 2 . . . . 170 LYS HD3 . 17599 1 485 . 1 1 43 43 LYS HE2 H 1 3.027 0.02 . 2 . . . . 170 LYS HE2 . 17599 1 486 . 1 1 43 43 LYS HE3 H 1 2.920 0.02 . 2 . . . . 170 LYS HE3 . 17599 1 487 . 1 1 43 43 LYS C C 13 174.158 0.1 . 1 . . . A 170 LYS C . 17599 1 488 . 1 1 43 43 LYS CA C 13 54.491 0.1 . 1 . . . A 170 LYS CA . 17599 1 489 . 1 1 43 43 LYS CB C 13 33.451 0.1 . 1 . . . A 170 LYS CB . 17599 1 490 . 1 1 43 43 LYS CG C 13 25.682 0.1 . 1 . . . A 170 LYS CG . 17599 1 491 . 1 1 43 43 LYS CD C 13 29.566 0.1 . 1 . . . A 170 LYS CD . 17599 1 492 . 1 1 43 43 LYS CE C 13 42.191 0.1 . 1 . . . A 170 LYS CE . 17599 1 493 . 1 1 43 43 LYS N N 15 120.854 0.1 . 1 . . . A 170 LYS N . 17599 1 494 . 1 1 44 44 PRO HA H 1 4.521 0.02 . 1 . . . A 171 PRO HA . 17599 1 495 . 1 1 44 44 PRO HB2 H 1 1.949 0.02 . 2 . . . . 171 PRO HB2 . 17599 1 496 . 1 1 44 44 PRO HB3 H 1 2.328 0.02 . 2 . . . . 171 PRO HB3 . 17599 1 497 . 1 1 44 44 PRO HG2 H 1 2.076 0.02 . 1 . . . . 171 PRO HG2 . 17599 1 498 . 1 1 44 44 PRO HG3 H 1 2.076 0.02 . 1 . . . . 171 PRO HG3 . 17599 1 499 . 1 1 44 44 PRO HD2 H 1 3.654 0.02 . 2 . . . . 171 PRO HD2 . 17599 1 500 . 1 1 44 44 PRO HD3 H 1 3.830 0.02 . 2 . . . . 171 PRO HD3 . 17599 1 501 . 1 1 44 44 PRO C C 13 177.124 0.1 . 1 . . . A 171 PRO C . 17599 1 502 . 1 1 44 44 PRO CA C 13 62.672 0.1 . 1 . . . A 171 PRO CA . 17599 1 503 . 1 1 44 44 PRO CB C 13 32.480 0.1 . 1 . . . A 171 PRO CB . 17599 1 504 . 1 1 44 44 PRO CG C 13 27.528 0.1 . 1 . . . A 171 PRO CG . 17599 1 505 . 1 1 44 44 PRO CD C 13 50.607 0.1 . 1 . . . A 171 PRO CD . 17599 1 506 . 1 1 45 45 LEU H H 1 8.674 0.02 . 1 . . . . 172 LEU H . 17599 1 507 . 1 1 45 45 LEU HA H 1 4.007 0.02 . 1 . . . A 172 LEU HA . 17599 1 508 . 1 1 45 45 LEU HB2 H 1 1.311 0.02 . 2 . . . . 172 LEU HB2 . 17599 1 509 . 1 1 45 45 LEU HB3 H 1 1.616 0.02 . 2 . . . . 172 LEU HB3 . 17599 1 510 . 1 1 45 45 LEU HG H 1 1.681 0.02 . 1 . . . A 172 LEU HG . 17599 1 511 . 1 1 45 45 LEU HD11 H 1 0.894 0.02 . 2 . . . . 172 LEU QD1 . 17599 1 512 . 1 1 45 45 LEU HD12 H 1 0.894 0.02 . 2 . . . . 172 LEU QD1 . 17599 1 513 . 1 1 45 45 LEU HD13 H 1 0.894 0.02 . 2 . . . . 172 LEU QD1 . 17599 1 514 . 1 1 45 45 LEU HD21 H 1 0.883 0.02 . 2 . . . . 172 LEU QD2 . 17599 1 515 . 1 1 45 45 LEU HD22 H 1 0.883 0.02 . 2 . . . . 172 LEU QD2 . 17599 1 516 . 1 1 45 45 LEU HD23 H 1 0.883 0.02 . 2 . . . . 172 LEU QD2 . 17599 1 517 . 1 1 45 45 LEU C C 13 178.978 0.1 . 1 . . . A 172 LEU C . 17599 1 518 . 1 1 45 45 LEU CA C 13 58.061 0.1 . 1 . . . A 172 LEU CA . 17599 1 519 . 1 1 45 45 LEU CB C 13 42.386 0.1 . 1 . . . A 172 LEU CB . 17599 1 520 . 1 1 45 45 LEU CG C 13 27.703 0.1 . 1 . . . A 172 LEU CG . 17599 1 521 . 1 1 45 45 LEU CD1 C 13 24.304 0.1 . 1 . . . A 172 LEU CD1 . 17599 1 522 . 1 1 45 45 LEU CD2 C 13 26.006 0.1 . 1 . . . A 172 LEU CD2 . 17599 1 523 . 1 1 45 45 LEU N N 15 121.159 0.1 . 1 . . . A 172 LEU N . 17599 1 524 . 1 1 46 46 GLY H H 1 8.282 0.02 . 1 . . . . 173 GLY H . 17599 1 525 . 1 1 46 46 GLY HA2 H 1 3.784 0.02 . 2 . . . . 173 GLY HA2 . 17599 1 526 . 1 1 46 46 GLY HA3 H 1 4.101 0.02 . 2 . . . . 173 GLY HA3 . 17599 1 527 . 1 1 46 46 GLY C C 13 175.634 0.1 . 1 . . . A 173 GLY C . 17599 1 528 . 1 1 46 46 GLY CA C 13 47.263 0.1 . 1 . . . A 173 GLY CA . 17599 1 529 . 1 1 46 46 GLY N N 15 101.394 0.1 . 1 . . . A 173 GLY N . 17599 1 530 . 1 1 47 47 PHE H H 1 7.267 0.02 . 1 . . . . 174 PHE H . 17599 1 531 . 1 1 47 47 PHE HA H 1 5.279 0.02 . 1 . . . A 174 PHE HA . 17599 1 532 . 1 1 47 47 PHE HB2 H 1 3.114 0.02 . 2 . . . . 174 PHE HB2 . 17599 1 533 . 1 1 47 47 PHE HB3 H 1 2.972 0.02 . 2 . . . . 174 PHE HB3 . 17599 1 534 . 1 1 47 47 PHE HD1 H 1 6.806 0.02 . 1 . . . . 174 PHE HD1 . 17599 1 535 . 1 1 47 47 PHE HD2 H 1 6.806 0.02 . 1 . . . . 174 PHE HD2 . 17599 1 536 . 1 1 47 47 PHE HE1 H 1 6.851 0.02 . 1 . . . . 174 PHE HE1 . 17599 1 537 . 1 1 47 47 PHE HE2 H 1 6.851 0.02 . 1 . . . . 174 PHE HE2 . 17599 1 538 . 1 1 47 47 PHE HZ H 1 7.154 0.02 . 1 . . . A 174 PHE HZ . 17599 1 539 . 1 1 47 47 PHE C C 13 170.923 0.1 . 1 . . . A 174 PHE C . 17599 1 540 . 1 1 47 47 PHE CA C 13 56.434 0.1 . 1 . . . A 174 PHE CA . 17599 1 541 . 1 1 47 47 PHE CB C 13 41.164 0.1 . 1 . . . A 174 PHE CB . 17599 1 542 . 1 1 47 47 PHE CD1 C 13 132.309 0.1 . 1 . . . A 174 PHE CD1 . 17599 1 543 . 1 1 47 47 PHE CE1 C 13 130.237 0.1 . 1 . . . A 174 PHE CE1 . 17599 1 544 . 1 1 47 47 PHE CZ C 13 129.978 0.1 . 1 . . . A 174 PHE CZ . 17599 1 545 . 1 1 47 47 PHE N N 15 116.558 0.1 . 1 . . . A 174 PHE N . 17599 1 546 . 1 1 48 48 TYR H H 1 8.392 0.02 . 1 . . . . 175 TYR H . 17599 1 547 . 1 1 48 48 TYR HA H 1 4.888 0.02 . 1 . . . A 175 TYR HA . 17599 1 548 . 1 1 48 48 TYR HB2 H 1 2.672 0.02 . 2 . . . . 175 TYR HB2 . 17599 1 549 . 1 1 48 48 TYR HB3 H 1 3.260 0.02 . 2 . . . . 175 TYR HB3 . 17599 1 550 . 1 1 48 48 TYR HD1 H 1 7.013 0.02 . 1 . . . . 175 TYR HD1 . 17599 1 551 . 1 1 48 48 TYR HD2 H 1 7.013 0.02 . 1 . . . . 175 TYR HD2 . 17599 1 552 . 1 1 48 48 TYR HE1 H 1 6.706 0.02 . 1 . . . . 175 TYR HE1 . 17599 1 553 . 1 1 48 48 TYR HE2 H 1 6.706 0.02 . 1 . . . . 175 TYR HE2 . 17599 1 554 . 1 1 48 48 TYR C C 13 175.661 0.1 . 1 . . . A 175 TYR C . 17599 1 555 . 1 1 48 48 TYR CA C 13 56.396 0.1 . 1 . . . A 175 TYR CA . 17599 1 556 . 1 1 48 48 TYR CB C 13 41.701 0.1 . 1 . . . A 175 TYR CB . 17599 1 557 . 1 1 48 48 TYR CD1 C 13 133.085 0.1 . 1 . . . A 175 TYR CD1 . 17599 1 558 . 1 1 48 48 TYR CE1 C 13 118.325 0.1 . 1 . . . A 175 TYR CE1 . 17599 1 559 . 1 1 48 48 TYR N N 15 119.129 0.1 . 1 . . . A 175 TYR N . 17599 1 560 . 1 1 49 49 ILE H H 1 8.593 0.02 . 1 . . . . 176 ILE H . 17599 1 561 . 1 1 49 49 ILE HA H 1 5.670 0.02 . 1 . . . A 176 ILE HA . 17599 1 562 . 1 1 49 49 ILE HB H 1 1.848 0.02 . 1 . . . A 176 ILE HB . 17599 1 563 . 1 1 49 49 ILE HG12 H 1 1.509 0.02 . 1 . . . . 176 ILE HG12 . 17599 1 564 . 1 1 49 49 ILE HG13 H 1 1.509 0.02 . 1 . . . . 176 ILE HG13 . 17599 1 565 . 1 1 49 49 ILE HG21 H 1 0.914 0.02 . 1 . . . . 176 ILE QG2 . 17599 1 566 . 1 1 49 49 ILE HG22 H 1 0.914 0.02 . 1 . . . . 176 ILE QG2 . 17599 1 567 . 1 1 49 49 ILE HG23 H 1 0.914 0.02 . 1 . . . . 176 ILE QG2 . 17599 1 568 . 1 1 49 49 ILE HD11 H 1 0.862 0.02 . 1 . . . . 176 ILE QD1 . 17599 1 569 . 1 1 49 49 ILE HD12 H 1 0.862 0.02 . 1 . . . . 176 ILE QD1 . 17599 1 570 . 1 1 49 49 ILE HD13 H 1 0.862 0.02 . 1 . . . . 176 ILE QD1 . 17599 1 571 . 1 1 49 49 ILE C C 13 174.616 0.1 . 1 . . . A 176 ILE C . 17599 1 572 . 1 1 49 49 ILE CA C 13 59.645 0.1 . 1 . . . A 176 ILE CA . 17599 1 573 . 1 1 49 49 ILE CB C 13 42.838 0.1 . 1 . . . A 176 ILE CB . 17599 1 574 . 1 1 49 49 ILE CG1 C 13 27.300 0.1 . 1 . . . A 176 ILE CG1 . 17599 1 575 . 1 1 49 49 ILE CG2 C 13 18.884 0.1 . 1 . . . A 176 ILE CG2 . 17599 1 576 . 1 1 49 49 ILE CD1 C 13 14.636 0.1 . 1 . . . A 176 ILE CD1 . 17599 1 577 . 1 1 49 49 ILE N N 15 113.490 0.1 . 1 . . . A 176 ILE N . 17599 1 578 . 1 1 50 50 ARG H H 1 9.410 0.02 . 1 . . . . 177 ARG H . 17599 1 579 . 1 1 50 50 ARG HA H 1 5.025 0.02 . 1 . . . A 177 ARG HA . 17599 1 580 . 1 1 50 50 ARG HB2 H 1 2.075 0.02 . 2 . . . . 177 ARG HB2 . 17599 1 581 . 1 1 50 50 ARG HB3 H 1 1.848 0.02 . 2 . . . . 177 ARG HB3 . 17599 1 582 . 1 1 50 50 ARG HG2 H 1 1.455 0.02 . 2 . . . . 177 ARG HG2 . 17599 1 583 . 1 1 50 50 ARG HG3 H 1 1.688 0.02 . 2 . . . . 177 ARG HG3 . 17599 1 584 . 1 1 50 50 ARG HD2 H 1 3.249 0.02 . 2 . . . . 177 ARG HD2 . 17599 1 585 . 1 1 50 50 ARG HD3 H 1 3.122 0.02 . 2 . . . . 177 ARG HD3 . 17599 1 586 . 1 1 50 50 ARG C C 13 174.570 0.1 . 1 . . . A 177 ARG C . 17599 1 587 . 1 1 50 50 ARG CA C 13 54.387 0.1 . 1 . . . A 177 ARG CA . 17599 1 588 . 1 1 50 50 ARG CB C 13 34.044 0.1 . 1 . . . A 177 ARG CB . 17599 1 589 . 1 1 50 50 ARG CG C 13 27.982 0.1 . 1 . . . A 177 ARG CG . 17599 1 590 . 1 1 50 50 ARG CD C 13 43.427 0.1 . 1 . . . A 177 ARG CD . 17599 1 591 . 1 1 50 50 ARG N N 15 116.815 0.1 . 1 . . . A 177 ARG N . 17599 1 592 . 1 1 51 51 ASP H H 1 8.672 0.02 . 1 . . . . 178 ASP H . 17599 1 593 . 1 1 51 51 ASP HA H 1 5.386 0.02 . 1 . . . A 178 ASP HA . 17599 1 594 . 1 1 51 51 ASP HB2 H 1 2.966 0.02 . 2 . . . . 178 ASP HB2 . 17599 1 595 . 1 1 51 51 ASP HB3 H 1 2.824 0.02 . 2 . . . . 178 ASP HB3 . 17599 1 596 . 1 1 51 51 ASP C C 13 176.055 0.1 . 1 . . . A 178 ASP C . 17599 1 597 . 1 1 51 51 ASP CA C 13 54.491 0.1 . 1 . . . A 178 ASP CA . 17599 1 598 . 1 1 51 51 ASP CB C 13 42.593 0.1 . 1 . . . A 178 ASP CB . 17599 1 599 . 1 1 51 51 ASP N N 15 120.545 0.1 . 1 . . . A 178 ASP N . 17599 1 600 . 1 1 52 52 GLY H H 1 8.478 0.02 . 1 . . . . 179 GLY H . 17599 1 601 . 1 1 52 52 GLY HA2 H 1 4.338 0.02 . 2 . . . . 179 GLY HA2 . 17599 1 602 . 1 1 52 52 GLY HA3 H 1 3.923 0.02 . 2 . . . . 179 GLY HA3 . 17599 1 603 . 1 1 52 52 GLY C C 13 172.837 0.1 . 1 . . . A 179 GLY C . 17599 1 604 . 1 1 52 52 GLY CA C 13 45.884 0.1 . 1 . . . A 179 GLY CA . 17599 1 605 . 1 1 52 52 GLY N N 15 108.027 0.1 . 1 . . . A 179 GLY N . 17599 1 606 . 1 1 53 53 THR H H 1 8.382 0.02 . 1 . . . . 180 THR H . 17599 1 607 . 1 1 53 53 THR HA H 1 4.990 0.02 . 1 . . . A 180 THR HA . 17599 1 608 . 1 1 53 53 THR HB H 1 3.896 0.02 . 1 . . . A 180 THR HB . 17599 1 609 . 1 1 53 53 THR HG21 H 1 1.094 0.02 . 1 . . . . 180 THR QG2 . 17599 1 610 . 1 1 53 53 THR HG22 H 1 1.094 0.02 . 1 . . . . 180 THR QG2 . 17599 1 611 . 1 1 53 53 THR HG23 H 1 1.094 0.02 . 1 . . . . 180 THR QG2 . 17599 1 612 . 1 1 53 53 THR C C 13 173.721 0.1 . 1 . . . A 180 THR C . 17599 1 613 . 1 1 53 53 THR CA C 13 61.609 0.1 . 1 . . . A 180 THR CA . 17599 1 614 . 1 1 53 53 THR CB C 13 71.678 0.1 . 1 . . . A 180 THR CB . 17599 1 615 . 1 1 53 53 THR CG2 C 13 22.274 0.1 . 1 . . . A 180 THR CG2 . 17599 1 616 . 1 1 53 53 THR N N 15 115.787 0.1 . 1 . . . A 180 THR N . 17599 1 617 . 1 1 54 54 SER H H 1 9.314 0.02 . 1 . . . . 181 SER H . 17599 1 618 . 1 1 54 54 SER HA H 1 4.744 0.02 . 1 . . . A 181 SER HA . 17599 1 619 . 1 1 54 54 SER HB2 H 1 3.862 0.02 . 2 . . . . 181 SER HB2 . 17599 1 620 . 1 1 54 54 SER HB3 H 1 3.690 0.02 . 2 . . . . 181 SER HB3 . 17599 1 621 . 1 1 54 54 SER C C 13 173.650 0.1 . 1 . . . A 181 SER C . 17599 1 622 . 1 1 54 54 SER CA C 13 57.365 0.1 . 1 . . . A 181 SER CA . 17599 1 623 . 1 1 54 54 SER CB C 13 65.214 0.1 . 1 . . . A 181 SER CB . 17599 1 624 . 1 1 54 54 SER N N 15 120.809 0.1 . 1 . . . A 181 SER N . 17599 1 625 . 1 1 55 55 VAL H H 1 8.524 0.02 . 1 . . . . 182 VAL H . 17599 1 626 . 1 1 55 55 VAL HA H 1 4.785 0.02 . 1 . . . A 182 VAL HA . 17599 1 627 . 1 1 55 55 VAL HB H 1 1.972 0.02 . 1 . . . A 182 VAL HB . 17599 1 628 . 1 1 55 55 VAL HG11 H 1 0.920 0.02 . 2 . . . . 182 VAL QG1 . 17599 1 629 . 1 1 55 55 VAL HG12 H 1 0.920 0.02 . 2 . . . . 182 VAL QG1 . 17599 1 630 . 1 1 55 55 VAL HG13 H 1 0.920 0.02 . 2 . . . . 182 VAL QG1 . 17599 1 631 . 1 1 55 55 VAL HG21 H 1 0.868 0.02 . 2 . . . . 182 VAL QG2 . 17599 1 632 . 1 1 55 55 VAL HG22 H 1 0.868 0.02 . 2 . . . . 182 VAL QG2 . 17599 1 633 . 1 1 55 55 VAL HG23 H 1 0.868 0.02 . 2 . . . . 182 VAL QG2 . 17599 1 634 . 1 1 55 55 VAL C C 13 175.813 0.1 . 1 . . . A 182 VAL C . 17599 1 635 . 1 1 55 55 VAL CA C 13 61.863 0.1 . 1 . . . A 182 VAL CA . 17599 1 636 . 1 1 55 55 VAL CB C 13 33.922 0.1 . 1 . . . A 182 VAL CB . 17599 1 637 . 1 1 55 55 VAL CG2 C 13 21.796 0.1 . 1 . . . A 182 VAL CG2 . 17599 1 638 . 1 1 55 55 VAL N N 15 121.771 0.1 . 1 . . . A 182 VAL N . 17599 1 639 . 1 1 56 56 ARG H H 1 8.909 0.02 . 1 . . . . 183 ARG H . 17599 1 640 . 1 1 56 56 ARG HA H 1 4.719 0.02 . 1 . . . A 183 ARG HA . 17599 1 641 . 1 1 56 56 ARG HB2 H 1 1.736 0.02 . 2 . . . . 183 ARG HB2 . 17599 1 642 . 1 1 56 56 ARG HB3 H 1 1.798 0.02 . 2 . . . . 183 ARG HB3 . 17599 1 643 . 1 1 56 56 ARG HG2 H 1 1.314 0.02 . 2 . . . . 183 ARG HG2 . 17599 1 644 . 1 1 56 56 ARG HG3 H 1 1.533 0.02 . 2 . . . . 183 ARG HG3 . 17599 1 645 . 1 1 56 56 ARG HD2 H 1 3.000 0.02 . 2 . . . . 183 ARG HD2 . 17599 1 646 . 1 1 56 56 ARG HD3 H 1 3.161 0.02 . 2 . . . . 183 ARG HD3 . 17599 1 647 . 1 1 56 56 ARG C C 13 174.627 0.1 . 1 . . . A 183 ARG C . 17599 1 648 . 1 1 56 56 ARG CA C 13 54.767 0.1 . 1 . . . A 183 ARG CA . 17599 1 649 . 1 1 56 56 ARG CB C 13 33.479 0.1 . 1 . . . A 183 ARG CB . 17599 1 650 . 1 1 56 56 ARG CG C 13 27.300 0.1 . 1 . . . A 183 ARG CG . 17599 1 651 . 1 1 56 56 ARG CD C 13 43.738 0.1 . 1 . . . A 183 ARG CD . 17599 1 652 . 1 1 56 56 ARG N N 15 126.563 0.1 . 1 . . . A 183 ARG N . 17599 1 653 . 1 1 57 57 VAL H H 1 8.612 0.02 . 1 . . . . 184 VAL H . 17599 1 654 . 1 1 57 57 VAL HA H 1 4.234 0.02 . 1 . . . A 184 VAL HA . 17599 1 655 . 1 1 57 57 VAL HB H 1 2.003 0.02 . 1 . . . A 184 VAL HB . 17599 1 656 . 1 1 57 57 VAL HG11 H 1 0.918 0.02 . 2 . . . . 184 VAL QG1 . 17599 1 657 . 1 1 57 57 VAL HG12 H 1 0.918 0.02 . 2 . . . . 184 VAL QG1 . 17599 1 658 . 1 1 57 57 VAL HG13 H 1 0.918 0.02 . 2 . . . . 184 VAL QG1 . 17599 1 659 . 1 1 57 57 VAL HG21 H 1 0.975 0.02 . 2 . . . . 184 VAL QG2 . 17599 1 660 . 1 1 57 57 VAL HG22 H 1 0.975 0.02 . 2 . . . . 184 VAL QG2 . 17599 1 661 . 1 1 57 57 VAL HG23 H 1 0.975 0.02 . 2 . . . . 184 VAL QG2 . 17599 1 662 . 1 1 57 57 VAL C C 13 176.302 0.1 . 1 . . . A 184 VAL C . 17599 1 663 . 1 1 57 57 VAL CA C 13 63.257 0.1 . 1 . . . A 184 VAL CA . 17599 1 664 . 1 1 57 57 VAL CB C 13 32.547 0.1 . 1 . . . A 184 VAL CB . 17599 1 665 . 1 1 57 57 VAL CG1 C 13 21.796 0.1 . 1 . . . A 184 VAL CG1 . 17599 1 666 . 1 1 57 57 VAL CG2 C 13 21.074 0.1 . 1 . . . A 184 VAL CG2 . 17599 1 667 . 1 1 57 57 VAL N N 15 124.269 0.1 . 1 . . . A 184 VAL N . 17599 1 668 . 1 1 58 58 THR H H 1 8.358 0.02 . 1 . . . . 185 THR H . 17599 1 669 . 1 1 58 58 THR HA H 1 4.837 0.02 . 1 . . . A 185 THR HA . 17599 1 670 . 1 1 58 58 THR HB H 1 4.557 0.02 . 1 . . . A 185 THR HB . 17599 1 671 . 1 1 58 58 THR HG21 H 1 1.143 0.02 . 1 . . . . 185 THR QG2 . 17599 1 672 . 1 1 58 58 THR HG22 H 1 1.143 0.02 . 1 . . . . 185 THR QG2 . 17599 1 673 . 1 1 58 58 THR HG23 H 1 1.143 0.02 . 1 . . . . 185 THR QG2 . 17599 1 674 . 1 1 58 58 THR C C 13 175.366 0.1 . 1 . . . A 185 THR C . 17599 1 675 . 1 1 58 58 THR CA C 13 60.279 0.1 . 1 . . . A 185 THR CA . 17599 1 676 . 1 1 58 58 THR CB C 13 72.415 0.1 . 1 . . . A 185 THR CB . 17599 1 677 . 1 1 58 58 THR CG2 C 13 21.319 0.1 . 1 . . . A 185 THR CG2 . 17599 1 678 . 1 1 58 58 THR N N 15 119.525 0.1 . 1 . . . A 185 THR N . 17599 1 679 . 1 1 59 59 ALA H H 1 8.838 0.02 . 1 . . . . 186 ALA H . 17599 1 680 . 1 1 59 59 ALA HA H 1 4.189 0.02 . 1 . . . A 186 ALA HA . 17599 1 681 . 1 1 59 59 ALA HB1 H 1 1.486 0.02 . 1 . . . . 186 ALA QB . 17599 1 682 . 1 1 59 59 ALA HB2 H 1 1.486 0.02 . 1 . . . . 186 ALA QB . 17599 1 683 . 1 1 59 59 ALA HB3 H 1 1.486 0.02 . 1 . . . . 186 ALA QB . 17599 1 684 . 1 1 59 59 ALA C C 13 178.789 0.1 . 1 . . . A 186 ALA C . 17599 1 685 . 1 1 59 59 ALA CA C 13 54.626 0.1 . 1 . . . A 186 ALA CA . 17599 1 686 . 1 1 59 59 ALA CB C 13 18.560 0.1 . 1 . . . A 186 ALA CB . 17599 1 687 . 1 1 59 59 ALA N N 15 122.956 0.1 . 1 . . . A 186 ALA N . 17599 1 688 . 1 1 60 60 SER H H 1 8.102 0.02 . 1 . . . . 187 SER H . 17599 1 689 . 1 1 60 60 SER HA H 1 4.471 0.02 . 1 . . . A 187 SER HA . 17599 1 690 . 1 1 60 60 SER HB2 H 1 3.863 0.02 . 1 . . . . 187 SER HB2 . 17599 1 691 . 1 1 60 60 SER HB3 H 1 3.863 0.02 . 1 . . . . 187 SER HB3 . 17599 1 692 . 1 1 60 60 SER C C 13 173.996 0.1 . 1 . . . A 187 SER C . 17599 1 693 . 1 1 60 60 SER CA C 13 58.401 0.1 . 1 . . . A 187 SER CA . 17599 1 694 . 1 1 60 60 SER CB C 13 64.035 0.1 . 1 . . . A 187 SER CB . 17599 1 695 . 1 1 60 60 SER N N 15 110.427 0.1 . 1 . . . A 187 SER N . 17599 1 696 . 1 1 61 61 GLY H H 1 7.636 0.02 . 1 . . . . 188 GLY H . 17599 1 697 . 1 1 61 61 GLY HA2 H 1 3.799 0.02 . 2 . . . . 188 GLY HA2 . 17599 1 698 . 1 1 61 61 GLY HA3 H 1 4.413 0.02 . 2 . . . . 188 GLY HA3 . 17599 1 699 . 1 1 61 61 GLY C C 13 172.845 0.1 . 1 . . . A 188 GLY C . 17599 1 700 . 1 1 61 61 GLY CA C 13 45.142 0.1 . 1 . . . A 188 GLY CA . 17599 1 701 . 1 1 61 61 GLY N N 15 110.662 0.1 . 1 . . . A 188 GLY N . 17599 1 702 . 1 1 62 62 LEU H H 1 8.430 0.02 . 1 . . . . 189 LEU H . 17599 1 703 . 1 1 62 62 LEU HA H 1 4.849 0.02 . 1 . . . A 189 LEU HA . 17599 1 704 . 1 1 62 62 LEU HB2 H 1 1.655 0.02 . 2 . . . . 189 LEU HB2 . 17599 1 705 . 1 1 62 62 LEU HB3 H 1 1.408 0.02 . 2 . . . . 189 LEU HB3 . 17599 1 706 . 1 1 62 62 LEU HG H 1 1.600 0.02 . 1 . . . A 189 LEU HG . 17599 1 707 . 1 1 62 62 LEU HD11 H 1 0.892 0.02 . 2 . . . . 189 LEU QD1 . 17599 1 708 . 1 1 62 62 LEU HD12 H 1 0.892 0.02 . 2 . . . . 189 LEU QD1 . 17599 1 709 . 1 1 62 62 LEU HD13 H 1 0.892 0.02 . 2 . . . . 189 LEU QD1 . 17599 1 710 . 1 1 62 62 LEU HD21 H 1 0.811 0.02 . 2 . . . . 189 LEU QD2 . 17599 1 711 . 1 1 62 62 LEU HD22 H 1 0.811 0.02 . 2 . . . . 189 LEU QD2 . 17599 1 712 . 1 1 62 62 LEU HD23 H 1 0.811 0.02 . 2 . . . . 189 LEU QD2 . 17599 1 713 . 1 1 62 62 LEU C C 13 177.136 0.1 . 1 . . . A 189 LEU C . 17599 1 714 . 1 1 62 62 LEU CA C 13 55.084 0.1 . 1 . . . A 189 LEU CA . 17599 1 715 . 1 1 62 62 LEU CB C 13 43.079 0.1 . 1 . . . A 189 LEU CB . 17599 1 716 . 1 1 62 62 LEU CG C 13 28.083 0.1 . 1 . . . A 189 LEU CG . 17599 1 717 . 1 1 62 62 LEU CD1 C 13 25.617 0.1 . 1 . . . A 189 LEU CD1 . 17599 1 718 . 1 1 62 62 LEU CD2 C 13 24.901 0.1 . 1 . . . A 189 LEU CD2 . 17599 1 719 . 1 1 62 62 LEU N N 15 123.241 0.1 . 1 . . . A 189 LEU N . 17599 1 720 . 1 1 63 63 GLU H H 1 9.088 0.02 . 1 . . . . 190 GLU H . 17599 1 721 . 1 1 63 63 GLU HA H 1 4.658 0.02 . 1 . . . A 190 GLU HA . 17599 1 722 . 1 1 63 63 GLU HB2 H 1 1.863 0.02 . 2 . . . . 190 GLU HB2 . 17599 1 723 . 1 1 63 63 GLU HB3 H 1 2.025 0.02 . 2 . . . . 190 GLU HB3 . 17599 1 724 . 1 1 63 63 GLU HG2 H 1 2.152 0.02 . 2 . . . . 190 GLU HG2 . 17599 1 725 . 1 1 63 63 GLU HG3 H 1 2.215 0.02 . 2 . . . . 190 GLU HG3 . 17599 1 726 . 1 1 63 63 GLU C C 13 175.293 0.1 . 1 . . . A 190 GLU C . 17599 1 727 . 1 1 63 63 GLU CA C 13 55.717 0.1 . 1 . . . A 190 GLU CA . 17599 1 728 . 1 1 63 63 GLU CB C 13 33.129 0.1 . 1 . . . A 190 GLU CB . 17599 1 729 . 1 1 63 63 GLU CG C 13 36.688 0.1 . 1 . . . A 190 GLU CG . 17599 1 730 . 1 1 63 63 GLU N N 15 124.591 0.1 . 1 . . . A 190 GLU N . 17599 1 731 . 1 1 64 64 LYS H H 1 8.627 0.02 . 1 . . . . 191 LYS H . 17599 1 732 . 1 1 64 64 LYS HA H 1 5.072 0.02 . 1 . . . A 191 LYS HA . 17599 1 733 . 1 1 64 64 LYS HB2 H 1 1.868 0.02 . 2 . . . . 191 LYS HB2 . 17599 1 734 . 1 1 64 64 LYS HB3 H 1 1.675 0.02 . 2 . . . . 191 LYS HB3 . 17599 1 735 . 1 1 64 64 LYS HG2 H 1 1.388 0.02 . 1 . . . . 191 LYS HG2 . 17599 1 736 . 1 1 64 64 LYS HG3 H 1 1.388 0.02 . 1 . . . . 191 LYS HG3 . 17599 1 737 . 1 1 64 64 LYS HE2 H 1 3.035 0.02 . 2 . . . . 191 LYS HE2 . 17599 1 738 . 1 1 64 64 LYS HE3 H 1 2.959 0.02 . 2 . . . . 191 LYS HE3 . 17599 1 739 . 1 1 64 64 LYS C C 13 176.448 0.1 . 1 . . . A 191 LYS C . 17599 1 740 . 1 1 64 64 LYS CA C 13 56.796 0.1 . 1 . . . A 191 LYS CA . 17599 1 741 . 1 1 64 64 LYS CB C 13 34.004 0.1 . 1 . . . A 191 LYS CB . 17599 1 742 . 1 1 64 64 LYS CG C 13 25.020 0.1 . 1 . . . A 191 LYS CG . 17599 1 743 . 1 1 64 64 LYS CE C 13 42.191 0.1 . 1 . . . A 191 LYS CE . 17599 1 744 . 1 1 64 64 LYS N N 15 124.269 0.1 . 1 . . . A 191 LYS N . 17599 1 745 . 1 1 65 65 GLN H H 1 8.786 0.02 . 1 . . . . 192 GLN H . 17599 1 746 . 1 1 65 65 GLN HA H 1 4.999 0.02 . 1 . . . A 192 GLN HA . 17599 1 747 . 1 1 65 65 GLN HB2 H 1 2.156 0.02 . 2 . . . . 192 GLN HB2 . 17599 1 748 . 1 1 65 65 GLN HB3 H 1 1.903 0.02 . 2 . . . . 192 GLN HB3 . 17599 1 749 . 1 1 65 65 GLN HG2 H 1 2.377 0.02 . 1 . . . . 192 GLN HG2 . 17599 1 750 . 1 1 65 65 GLN HG3 H 1 2.377 0.02 . 1 . . . . 192 GLN HG3 . 17599 1 751 . 1 1 65 65 GLN HE21 H 1 7.583 0.02 . 2 . . . . 192 GLN HE21 . 17599 1 752 . 1 1 65 65 GLN HE22 H 1 6.764 0.02 . 2 . . . . 192 GLN HE22 . 17599 1 753 . 1 1 65 65 GLN C C 13 175.905 0.1 . 1 . . . A 192 GLN C . 17599 1 754 . 1 1 65 65 GLN CA C 13 53.197 0.1 . 1 . . . A 192 GLN CA . 17599 1 755 . 1 1 65 65 GLN CB C 13 31.185 0.1 . 1 . . . A 192 GLN CB . 17599 1 756 . 1 1 65 65 GLN CG C 13 36.077 0.1 . 1 . . . A 192 GLN CG . 17599 1 757 . 1 1 65 65 GLN N N 15 122.747 0.1 . 1 . . . A 192 GLN N . 17599 1 758 . 1 1 65 65 GLN NE2 N 15 111.932 0.1 . 1 . . . A 192 GLN NE2 . 17599 1 759 . 1 1 66 66 PRO HA H 1 4.987 0.02 . 1 . . . A 193 PRO HA . 17599 1 760 . 1 1 66 66 PRO HB2 H 1 2.511 0.02 . 2 . . . . 193 PRO HB2 . 17599 1 761 . 1 1 66 66 PRO HB3 H 1 2.062 0.02 . 2 . . . . 193 PRO HB3 . 17599 1 762 . 1 1 66 66 PRO HG2 H 1 2.166 0.02 . 1 . . . . 193 PRO HG2 . 17599 1 763 . 1 1 66 66 PRO HG3 H 1 2.166 0.02 . 1 . . . . 193 PRO HG3 . 17599 1 764 . 1 1 66 66 PRO HD2 H 1 3.879 0.02 . 2 . . . . 193 PRO HD2 . 17599 1 765 . 1 1 66 66 PRO HD3 H 1 3.779 0.02 . 2 . . . . 193 PRO HD3 . 17599 1 766 . 1 1 66 66 PRO CA C 13 63.200 0.1 . 1 . . . A 193 PRO CA . 17599 1 767 . 1 1 66 66 PRO CB C 13 32.858 0.1 . 1 . . . A 193 PRO CB . 17599 1 768 . 1 1 66 66 PRO CG C 13 27.989 0.1 . 1 . . . A 193 PRO CG . 17599 1 769 . 1 1 66 66 PRO CD C 13 50.931 0.1 . 1 . . . A 193 PRO CD . 17599 1 770 . 1 1 67 67 GLY H H 1 8.488 0.02 . 1 . . . . 194 GLY H . 17599 1 771 . 1 1 67 67 GLY HA2 H 1 4.397 0.02 . 2 . . . . 194 GLY HA2 . 17599 1 772 . 1 1 67 67 GLY HA3 H 1 3.606 0.02 . 2 . . . . 194 GLY HA3 . 17599 1 773 . 1 1 67 67 GLY C C 13 171.397 0.1 . 1 . . . A 194 GLY C . 17599 1 774 . 1 1 67 67 GLY CA C 13 45.240 0.1 . 1 . . . A 194 GLY CA . 17599 1 775 . 1 1 67 67 GLY N N 15 108.926 0.1 . 1 . . . A 194 GLY N . 17599 1 776 . 1 1 68 68 ILE H H 1 8.583 0.02 . 1 . . . . 195 ILE H . 17599 1 777 . 1 1 68 68 ILE HA H 1 4.925 0.02 . 1 . . . A 195 ILE HA . 17599 1 778 . 1 1 68 68 ILE HB H 1 1.733 0.02 . 1 . . . A 195 ILE HB . 17599 1 779 . 1 1 68 68 ILE HG12 H 1 1.340 0.02 . 2 . . . . 195 ILE HG12 . 17599 1 780 . 1 1 68 68 ILE HG13 H 1 1.413 0.02 . 2 . . . . 195 ILE HG13 . 17599 1 781 . 1 1 68 68 ILE HG21 H 1 0.788 0.02 . 1 . . . . 195 ILE QG2 . 17599 1 782 . 1 1 68 68 ILE HG22 H 1 0.788 0.02 . 1 . . . . 195 ILE QG2 . 17599 1 783 . 1 1 68 68 ILE HG23 H 1 0.788 0.02 . 1 . . . . 195 ILE QG2 . 17599 1 784 . 1 1 68 68 ILE HD11 H 1 0.777 0.02 . 1 . . . . 195 ILE QD1 . 17599 1 785 . 1 1 68 68 ILE HD12 H 1 0.777 0.02 . 1 . . . . 195 ILE QD1 . 17599 1 786 . 1 1 68 68 ILE HD13 H 1 0.777 0.02 . 1 . . . . 195 ILE QD1 . 17599 1 787 . 1 1 68 68 ILE C C 13 174.472 0.1 . 1 . . . A 195 ILE C . 17599 1 788 . 1 1 68 68 ILE CA C 13 59.139 0.1 . 1 . . . A 195 ILE CA . 17599 1 789 . 1 1 68 68 ILE CB C 13 39.249 0.1 . 1 . . . A 195 ILE CB . 17599 1 790 . 1 1 68 68 ILE CG1 C 13 27.293 0.1 . 1 . . . A 195 ILE CG1 . 17599 1 791 . 1 1 68 68 ILE CG2 C 13 18.572 0.1 . 1 . . . A 195 ILE CG2 . 17599 1 792 . 1 1 68 68 ILE CD1 C 13 11.408 0.1 . 1 . . . A 195 ILE CD1 . 17599 1 793 . 1 1 68 68 ILE N N 15 122.241 0.1 . 1 . . . A 195 ILE N . 17599 1 794 . 1 1 69 69 PHE H H 1 9.076 0.02 . 1 . . . . 196 PHE H . 17599 1 795 . 1 1 69 69 PHE HA H 1 5.412 0.02 . 1 . . . A 196 PHE HA . 17599 1 796 . 1 1 69 69 PHE HB2 H 1 2.450 0.02 . 2 . . . . 196 PHE HB2 . 17599 1 797 . 1 1 69 69 PHE HB3 H 1 2.764 0.02 . 2 . . . . 196 PHE HB3 . 17599 1 798 . 1 1 69 69 PHE HD1 H 1 6.971 0.02 . 1 . . . . 196 PHE HD1 . 17599 1 799 . 1 1 69 69 PHE HD2 H 1 6.971 0.02 . 1 . . . . 196 PHE HD2 . 17599 1 800 . 1 1 69 69 PHE HE1 H 1 7.036 0.02 . 1 . . . . 196 PHE HE1 . 17599 1 801 . 1 1 69 69 PHE HE2 H 1 7.036 0.02 . 1 . . . . 196 PHE HE2 . 17599 1 802 . 1 1 69 69 PHE C C 13 175.984 0.1 . 1 . . . A 196 PHE C . 17599 1 803 . 1 1 69 69 PHE CA C 13 55.800 0.1 . 1 . . . A 196 PHE CA . 17599 1 804 . 1 1 69 69 PHE CB C 13 43.800 0.1 . 1 . . . A 196 PHE CB . 17599 1 805 . 1 1 69 69 PHE CD2 C 13 132.050 0.1 . 1 . . . A 196 PHE CD2 . 17599 1 806 . 1 1 69 69 PHE CE2 C 13 130.496 0.1 . 1 . . . A 196 PHE CE2 . 17599 1 807 . 1 1 69 69 PHE N N 15 123.200 0.1 . 1 . . . A 196 PHE N . 17599 1 808 . 1 1 70 70 ILE H H 1 8.979 0.02 . 1 . . . . 197 ILE H . 17599 1 809 . 1 1 70 70 ILE HA H 1 4.503 0.02 . 1 . . . A 197 ILE HA . 17599 1 810 . 1 1 70 70 ILE HB H 1 2.396 0.02 . 1 . . . A 197 ILE HB . 17599 1 811 . 1 1 70 70 ILE HG12 H 1 1.491 0.02 . 2 . . . . 197 ILE HG12 . 17599 1 812 . 1 1 70 70 ILE HG13 H 1 1.203 0.02 . 2 . . . . 197 ILE HG13 . 17599 1 813 . 1 1 70 70 ILE HG21 H 1 0.790 0.02 . 1 . . . . 197 ILE QG2 . 17599 1 814 . 1 1 70 70 ILE HG22 H 1 0.790 0.02 . 1 . . . . 197 ILE QG2 . 17599 1 815 . 1 1 70 70 ILE HG23 H 1 0.790 0.02 . 1 . . . . 197 ILE QG2 . 17599 1 816 . 1 1 70 70 ILE HD11 H 1 0.420 0.02 . 1 . . . . 197 ILE QD1 . 17599 1 817 . 1 1 70 70 ILE HD12 H 1 0.420 0.02 . 1 . . . . 197 ILE QD1 . 17599 1 818 . 1 1 70 70 ILE HD13 H 1 0.420 0.02 . 1 . . . . 197 ILE QD1 . 17599 1 819 . 1 1 70 70 ILE C C 13 177.083 0.1 . 1 . . . A 197 ILE C . 17599 1 820 . 1 1 70 70 ILE CA C 13 62.115 0.1 . 1 . . . A 197 ILE CA . 17599 1 821 . 1 1 70 70 ILE CB C 13 36.213 0.1 . 1 . . . A 197 ILE CB . 17599 1 822 . 1 1 70 70 ILE CG1 C 13 27.560 0.1 . 1 . . . A 197 ILE CG1 . 17599 1 823 . 1 1 70 70 ILE CG2 C 13 17.378 0.1 . 1 . . . A 197 ILE CG2 . 17599 1 824 . 1 1 70 70 ILE CD1 C 13 12.410 0.1 . 1 . . . A 197 ILE CD1 . 17599 1 825 . 1 1 70 70 ILE N N 15 121.185 0.1 . 1 . . . A 197 ILE N . 17599 1 826 . 1 1 71 71 SER H H 1 9.644 0.02 . 1 . . . . 198 SER H . 17599 1 827 . 1 1 71 71 SER HA H 1 4.757 0.02 . 1 . . . A 198 SER HA . 17599 1 828 . 1 1 71 71 SER HB2 H 1 3.956 0.02 . 2 . . . . 198 SER HB2 . 17599 1 829 . 1 1 71 71 SER HB3 H 1 3.499 0.02 . 2 . . . . 198 SER HB3 . 17599 1 830 . 1 1 71 71 SER C C 13 175.072 0.1 . 1 . . . A 198 SER C . 17599 1 831 . 1 1 71 71 SER CA C 13 58.727 0.1 . 1 . . . A 198 SER CA . 17599 1 832 . 1 1 71 71 SER CB C 13 64.850 0.1 . 1 . . . A 198 SER CB . 17599 1 833 . 1 1 71 71 SER N N 15 125.791 0.1 . 1 . . . A 198 SER N . 17599 1 834 . 1 1 72 72 ARG H H 1 7.272 0.02 . 1 . . . . 199 ARG H . 17599 1 835 . 1 1 72 72 ARG HA H 1 4.463 0.02 . 1 . . . A 199 ARG HA . 17599 1 836 . 1 1 72 72 ARG HB2 H 1 1.727 0.02 . 2 . . . . 199 ARG HB2 . 17599 1 837 . 1 1 72 72 ARG HB3 H 1 1.973 0.02 . 2 . . . . 199 ARG HB3 . 17599 1 838 . 1 1 72 72 ARG HG2 H 1 1.595 0.02 . 2 . . . . 199 ARG HG2 . 17599 1 839 . 1 1 72 72 ARG HG3 H 1 1.482 0.02 . 2 . . . . 199 ARG HG3 . 17599 1 840 . 1 1 72 72 ARG HD2 H 1 3.017 0.02 . 1 . . . . 199 ARG HD2 . 17599 1 841 . 1 1 72 72 ARG HD3 H 1 3.017 0.02 . 1 . . . . 199 ARG HD3 . 17599 1 842 . 1 1 72 72 ARG C C 13 173.712 0.1 . 1 . . . A 199 ARG C . 17599 1 843 . 1 1 72 72 ARG CA C 13 56.610 0.1 . 1 . . . A 199 ARG CA . 17599 1 844 . 1 1 72 72 ARG CB C 13 33.650 0.1 . 1 . . . A 199 ARG CB . 17599 1 845 . 1 1 72 72 ARG CG C 13 27.624 0.1 . 1 . . . A 199 ARG CG . 17599 1 846 . 1 1 72 72 ARG CD C 13 43.886 0.1 . 1 . . . A 199 ARG CD . 17599 1 847 . 1 1 72 72 ARG N N 15 119.386 0.1 . 1 . . . A 199 ARG N . 17599 1 848 . 1 1 73 73 LEU H H 1 8.995 0.02 . 1 . . . . 200 LEU H . 17599 1 849 . 1 1 73 73 LEU HA H 1 4.991 0.02 . 1 . . . A 200 LEU HA . 17599 1 850 . 1 1 73 73 LEU HB2 H 1 1.398 0.02 . 2 . . . . 200 LEU HB2 . 17599 1 851 . 1 1 73 73 LEU HB3 H 1 1.810 0.02 . 2 . . . . 200 LEU HB3 . 17599 1 852 . 1 1 73 73 LEU HG H 1 1.587 0.02 . 1 . . . A 200 LEU HG . 17599 1 853 . 1 1 73 73 LEU HD11 H 1 0.906 0.02 . 2 . . . . 200 LEU QD1 . 17599 1 854 . 1 1 73 73 LEU HD12 H 1 0.906 0.02 . 2 . . . . 200 LEU QD1 . 17599 1 855 . 1 1 73 73 LEU HD13 H 1 0.906 0.02 . 2 . . . . 200 LEU QD1 . 17599 1 856 . 1 1 73 73 LEU HD21 H 1 0.706 0.02 . 2 . . . . 200 LEU QD2 . 17599 1 857 . 1 1 73 73 LEU HD22 H 1 0.706 0.02 . 2 . . . . 200 LEU QD2 . 17599 1 858 . 1 1 73 73 LEU HD23 H 1 0.706 0.02 . 2 . . . . 200 LEU QD2 . 17599 1 859 . 1 1 73 73 LEU C C 13 176.385 0.1 . 1 . . . A 200 LEU C . 17599 1 860 . 1 1 73 73 LEU CA C 13 53.563 0.1 . 1 . . . A 200 LEU CA . 17599 1 861 . 1 1 73 73 LEU CB C 13 43.820 0.1 . 1 . . . A 200 LEU CB . 17599 1 862 . 1 1 73 73 LEU CG C 13 28.145 0.1 . 1 . . . A 200 LEU CG . 17599 1 863 . 1 1 73 73 LEU CD1 C 13 24.304 0.1 . 1 . . . A 200 LEU CD1 . 17599 1 864 . 1 1 73 73 LEU N N 15 124.269 0.1 . 1 . . . A 200 LEU N . 17599 1 865 . 1 1 74 74 VAL H H 1 7.918 0.02 . 1 . . . . 201 VAL H . 17599 1 866 . 1 1 74 74 VAL HA H 1 4.238 0.02 . 1 . . . A 201 VAL HA . 17599 1 867 . 1 1 74 74 VAL HB H 1 1.805 0.02 . 1 . . . A 201 VAL HB . 17599 1 868 . 1 1 74 74 VAL HG11 H 1 1.014 0.02 . 2 . . . . 201 VAL QG1 . 17599 1 869 . 1 1 74 74 VAL HG12 H 1 1.014 0.02 . 2 . . . . 201 VAL QG1 . 17599 1 870 . 1 1 74 74 VAL HG13 H 1 1.014 0.02 . 2 . . . . 201 VAL QG1 . 17599 1 871 . 1 1 74 74 VAL HG21 H 1 0.908 0.02 . 2 . . . . 201 VAL QG2 . 17599 1 872 . 1 1 74 74 VAL HG22 H 1 0.908 0.02 . 2 . . . . 201 VAL QG2 . 17599 1 873 . 1 1 74 74 VAL HG23 H 1 0.908 0.02 . 2 . . . . 201 VAL QG2 . 17599 1 874 . 1 1 74 74 VAL C C 13 174.825 0.1 . 1 . . . A 201 VAL C . 17599 1 875 . 1 1 74 74 VAL CA C 13 60.642 0.1 . 1 . . . A 201 VAL CA . 17599 1 876 . 1 1 74 74 VAL CB C 13 33.775 0.1 . 1 . . . A 201 VAL CB . 17599 1 877 . 1 1 74 74 VAL CG1 C 13 20.179 0.1 . 1 . . . A 201 VAL CG1 . 17599 1 878 . 1 1 74 74 VAL CG2 C 13 22.121 0.1 . 1 . . . A 201 VAL CG2 . 17599 1 879 . 1 1 74 74 VAL N N 15 123.832 0.1 . 1 . . . A 201 VAL N . 17599 1 880 . 1 1 75 75 PRO HA H 1 4.522 0.02 . 1 . . . A 202 PRO HA . 17599 1 881 . 1 1 75 75 PRO HB2 H 1 2.401 0.02 . 2 . . . . 202 PRO HB2 . 17599 1 882 . 1 1 75 75 PRO HB3 H 1 1.962 0.02 . 2 . . . . 202 PRO HB3 . 17599 1 883 . 1 1 75 75 PRO HG2 H 1 2.199 0.02 . 2 . . . . 202 PRO HG2 . 17599 1 884 . 1 1 75 75 PRO HG3 H 1 2.057 0.02 . 2 . . . . 202 PRO HG3 . 17599 1 885 . 1 1 75 75 PRO HD2 H 1 4.185 0.02 . 2 . . . . 202 PRO HD2 . 17599 1 886 . 1 1 75 75 PRO HD3 H 1 3.746 0.02 . 2 . . . . 202 PRO HD3 . 17599 1 887 . 1 1 75 75 PRO C C 13 178.207 0.1 . 1 . . . A 202 PRO C . 17599 1 888 . 1 1 75 75 PRO CA C 13 64.035 0.1 . 1 . . . A 202 PRO CA . 17599 1 889 . 1 1 75 75 PRO CB C 13 31.709 0.1 . 1 . . . A 202 PRO CB . 17599 1 890 . 1 1 75 75 PRO CG C 13 27.925 0.1 . 1 . . . A 202 PRO CG . 17599 1 891 . 1 1 75 75 PRO CD C 13 52.225 0.1 . 1 . . . A 202 PRO CD . 17599 1 892 . 1 1 76 76 GLY H H 1 9.508 0.02 . 1 . . . . 203 GLY H . 17599 1 893 . 1 1 76 76 GLY HA2 H 1 4.222 0.02 . 2 . . . . 203 GLY HA2 . 17599 1 894 . 1 1 76 76 GLY HA3 H 1 3.746 0.02 . 2 . . . . 203 GLY HA3 . 17599 1 895 . 1 1 76 76 GLY C C 13 175.312 0.1 . 1 . . . A 203 GLY C . 17599 1 896 . 1 1 76 76 GLY CA C 13 45.658 0.1 . 1 . . . A 203 GLY CA . 17599 1 897 . 1 1 76 76 GLY N N 15 114.760 0.1 . 1 . . . A 203 GLY N . 17599 1 898 . 1 1 77 77 GLY H H 1 8.040 0.02 . 1 . . . . 204 GLY H . 17599 1 899 . 1 1 77 77 GLY HA2 H 1 4.292 0.02 . 2 . . . . 204 GLY HA2 . 17599 1 900 . 1 1 77 77 GLY HA3 H 1 3.885 0.02 . 2 . . . . 204 GLY HA3 . 17599 1 901 . 1 1 77 77 GLY C C 13 174.141 0.1 . 1 . . . A 204 GLY C . 17599 1 902 . 1 1 77 77 GLY CA C 13 44.780 0.1 . 1 . . . A 204 GLY CA . 17599 1 903 . 1 1 77 77 GLY N N 15 106.059 0.1 . 1 . . . A 204 GLY N . 17599 1 904 . 1 1 78 78 LEU H H 1 8.888 0.02 . 1 . . . . 205 LEU H . 17599 1 905 . 1 1 78 78 LEU HA H 1 4.137 0.02 . 1 . . . A 205 LEU HA . 17599 1 906 . 1 1 78 78 LEU HB2 H 1 1.771 0.02 . 2 . . . . 205 LEU HB2 . 17599 1 907 . 1 1 78 78 LEU HB3 H 1 1.720 0.02 . 2 . . . . 205 LEU HB3 . 17599 1 908 . 1 1 78 78 LEU HG H 1 1.600 0.02 . 1 . . . A 205 LEU HG . 17599 1 909 . 1 1 78 78 LEU HD11 H 1 0.884 0.02 . 2 . . . . 205 LEU QD1 . 17599 1 910 . 1 1 78 78 LEU HD12 H 1 0.884 0.02 . 2 . . . . 205 LEU QD1 . 17599 1 911 . 1 1 78 78 LEU HD13 H 1 0.884 0.02 . 2 . . . . 205 LEU QD1 . 17599 1 912 . 1 1 78 78 LEU HD21 H 1 0.831 0.02 . 2 . . . . 205 LEU QD2 . 17599 1 913 . 1 1 78 78 LEU HD22 H 1 0.831 0.02 . 2 . . . . 205 LEU QD2 . 17599 1 914 . 1 1 78 78 LEU HD23 H 1 0.831 0.02 . 2 . . . . 205 LEU QD2 . 17599 1 915 . 1 1 78 78 LEU C C 13 180.131 0.1 . 1 . . . A 205 LEU C . 17599 1 916 . 1 1 78 78 LEU CA C 13 58.378 0.1 . 1 . . . A 205 LEU CA . 17599 1 917 . 1 1 78 78 LEU CB C 13 42.838 0.1 . 1 . . . A 205 LEU CB . 17599 1 918 . 1 1 78 78 LEU CG C 13 27.624 0.1 . 1 . . . A 205 LEU CG . 17599 1 919 . 1 1 78 78 LEU CD1 C 13 25.283 0.1 . 1 . . . A 205 LEU CD1 . 17599 1 920 . 1 1 78 78 LEU CD2 C 13 22.714 0.1 . 1 . . . A 205 LEU CD2 . 17599 1 921 . 1 1 78 78 LEU N N 15 120.671 0.1 . 1 . . . A 205 LEU N . 17599 1 922 . 1 1 79 79 ALA H H 1 8.298 0.02 . 1 . . . . 206 ALA H . 17599 1 923 . 1 1 79 79 ALA HA H 1 3.848 0.02 . 1 . . . A 206 ALA HA . 17599 1 924 . 1 1 79 79 ALA HB1 H 1 1.394 0.02 . 1 . . . . 206 ALA QB . 17599 1 925 . 1 1 79 79 ALA HB2 H 1 1.394 0.02 . 1 . . . . 206 ALA QB . 17599 1 926 . 1 1 79 79 ALA HB3 H 1 1.394 0.02 . 1 . . . . 206 ALA QB . 17599 1 927 . 1 1 79 79 ALA C C 13 179.103 0.1 . 1 . . . A 206 ALA C . 17599 1 928 . 1 1 79 79 ALA CA C 13 56.414 0.1 . 1 . . . A 206 ALA CA . 17599 1 929 . 1 1 79 79 ALA CB C 13 19.193 0.1 . 1 . . . A 206 ALA CB . 17599 1 930 . 1 1 79 79 ALA N N 15 120.805 0.1 . 1 . . . A 206 ALA N . 17599 1 931 . 1 1 80 80 GLU H H 1 9.268 0.02 . 1 . . . . 207 GLU H . 17599 1 932 . 1 1 80 80 GLU HA H 1 3.959 0.02 . 1 . . . A 207 GLU HA . 17599 1 933 . 1 1 80 80 GLU HB2 H 1 2.039 0.02 . 2 . . . . 207 GLU HB2 . 17599 1 934 . 1 1 80 80 GLU HB3 H 1 2.210 0.02 . 2 . . . . 207 GLU HB3 . 17599 1 935 . 1 1 80 80 GLU HG2 H 1 2.235 0.02 . 1 . . . . 207 GLU HG2 . 17599 1 936 . 1 1 80 80 GLU HG3 H 1 2.235 0.02 . 1 . . . . 207 GLU HG3 . 17599 1 937 . 1 1 80 80 GLU C C 13 178.932 0.1 . 1 . . . A 207 GLU C . 17599 1 938 . 1 1 80 80 GLU CA C 13 59.899 0.1 . 1 . . . A 207 GLU CA . 17599 1 939 . 1 1 80 80 GLU CB C 13 30.420 0.1 . 1 . . . A 207 GLU CB . 17599 1 940 . 1 1 80 80 GLU CG C 13 37.012 0.1 . 1 . . . A 207 GLU CG . 17599 1 941 . 1 1 80 80 GLU N N 15 119.192 0.1 . 1 . . . A 207 GLU N . 17599 1 942 . 1 1 81 81 SER H H 1 8.557 0.02 . 1 . . . . 208 SER H . 17599 1 943 . 1 1 81 81 SER HA H 1 4.218 0.02 . 1 . . . A 208 SER HA . 17599 1 944 . 1 1 81 81 SER HB2 H 1 4.017 0.02 . 1 . . . . 208 SER HB2 . 17599 1 945 . 1 1 81 81 SER HB3 H 1 4.017 0.02 . 1 . . . . 208 SER HB3 . 17599 1 946 . 1 1 81 81 SER C C 13 176.654 0.1 . 1 . . . A 208 SER C . 17599 1 947 . 1 1 81 81 SER CA C 13 62.053 0.1 . 1 . . . A 208 SER CA . 17599 1 948 . 1 1 81 81 SER CB C 13 63.502 0.1 . 1 . . . A 208 SER CB . 17599 1 949 . 1 1 81 81 SER N N 15 114.408 0.1 . 1 . . . A 208 SER N . 17599 1 950 . 1 1 82 82 THR H H 1 7.836 0.02 . 1 . . . . 209 THR H . 17599 1 951 . 1 1 82 82 THR HA H 1 4.327 0.02 . 1 . . . A 209 THR HA . 17599 1 952 . 1 1 82 82 THR HB H 1 4.157 0.02 . 1 . . . A 209 THR HB . 17599 1 953 . 1 1 82 82 THR HG21 H 1 1.439 0.02 . 1 . . . . 209 THR QG2 . 17599 1 954 . 1 1 82 82 THR HG22 H 1 1.439 0.02 . 1 . . . . 209 THR QG2 . 17599 1 955 . 1 1 82 82 THR HG23 H 1 1.439 0.02 . 1 . . . . 209 THR QG2 . 17599 1 956 . 1 1 82 82 THR C C 13 176.859 0.1 . 1 . . . A 209 THR C . 17599 1 957 . 1 1 82 82 THR CA C 13 63.231 0.1 . 1 . . . A 209 THR CA . 17599 1 958 . 1 1 82 82 THR CB C 13 71.324 0.1 . 1 . . . A 209 THR CB . 17599 1 959 . 1 1 82 82 THR CG2 C 13 22.154 0.1 . 1 . . . A 209 THR CG2 . 17599 1 960 . 1 1 82 82 THR N N 15 108.924 0.1 . 1 . . . A 209 THR N . 17599 1 961 . 1 1 83 83 GLY H H 1 7.607 0.02 . 1 . . . . 210 GLY H . 17599 1 962 . 1 1 83 83 GLY HA2 H 1 4.057 0.02 . 1 . . . . 210 GLY HA2 . 17599 1 963 . 1 1 83 83 GLY HA3 H 1 4.057 0.02 . 1 . . . . 210 GLY HA3 . 17599 1 964 . 1 1 83 83 GLY C C 13 175.661 0.1 . 1 . . . A 210 GLY C . 17599 1 965 . 1 1 83 83 GLY CA C 13 46.658 0.1 . 1 . . . A 210 GLY CA . 17599 1 966 . 1 1 83 83 GLY N N 15 110.187 0.1 . 1 . . . A 210 GLY N . 17599 1 967 . 1 1 84 84 LEU H H 1 7.692 0.02 . 1 . . . . 211 LEU H . 17599 1 968 . 1 1 84 84 LEU HA H 1 4.115 0.02 . 1 . . . A 211 LEU HA . 17599 1 969 . 1 1 84 84 LEU HB2 H 1 1.433 0.02 . 1 . . . . 211 LEU HB2 . 17599 1 970 . 1 1 84 84 LEU HB3 H 1 1.433 0.02 . 1 . . . . 211 LEU HB3 . 17599 1 971 . 1 1 84 84 LEU HD11 H 1 0.735 0.02 . 2 . . . . 211 LEU QD1 . 17599 1 972 . 1 1 84 84 LEU HD12 H 1 0.735 0.02 . 2 . . . . 211 LEU QD1 . 17599 1 973 . 1 1 84 84 LEU HD13 H 1 0.735 0.02 . 2 . . . . 211 LEU QD1 . 17599 1 974 . 1 1 84 84 LEU HD21 H 1 0.824 0.02 . 2 . . . . 211 LEU QD2 . 17599 1 975 . 1 1 84 84 LEU HD22 H 1 0.824 0.02 . 2 . . . . 211 LEU QD2 . 17599 1 976 . 1 1 84 84 LEU HD23 H 1 0.824 0.02 . 2 . . . . 211 LEU QD2 . 17599 1 977 . 1 1 84 84 LEU C C 13 175.965 0.1 . 1 . . . A 211 LEU C . 17599 1 978 . 1 1 84 84 LEU CA C 13 56.541 0.1 . 1 . . . A 211 LEU CA . 17599 1 979 . 1 1 84 84 LEU CB C 13 43.616 0.1 . 1 . . . A 211 LEU CB . 17599 1 980 . 1 1 84 84 LEU CD1 C 13 26.006 0.1 . 1 . . . A 211 LEU CD1 . 17599 1 981 . 1 1 84 84 LEU CD2 C 13 22.666 0.1 . 1 . . . A 211 LEU CD2 . 17599 1 982 . 1 1 84 84 LEU N N 15 117.505 0.1 . 1 . . . A 211 LEU N . 17599 1 983 . 1 1 85 85 LEU H H 1 7.171 0.02 . 1 . . . . 212 LEU H . 17599 1 984 . 1 1 85 85 LEU HA H 1 4.486 0.02 . 1 . . . A 212 LEU HA . 17599 1 985 . 1 1 85 85 LEU HB2 H 1 1.042 0.02 . 1 . . . . 212 LEU HB2 . 17599 1 986 . 1 1 85 85 LEU HB3 H 1 1.042 0.02 . 1 . . . . 212 LEU HB3 . 17599 1 987 . 1 1 85 85 LEU HG H 1 1.156 0.02 . 1 . . . A 212 LEU HG . 17599 1 988 . 1 1 85 85 LEU HD11 H 1 0.108 0.02 . 2 . . . . 212 LEU QD1 . 17599 1 989 . 1 1 85 85 LEU HD12 H 1 0.108 0.02 . 2 . . . . 212 LEU QD1 . 17599 1 990 . 1 1 85 85 LEU HD13 H 1 0.108 0.02 . 2 . . . . 212 LEU QD1 . 17599 1 991 . 1 1 85 85 LEU HD21 H 1 0.623 0.02 . 2 . . . . 212 LEU QD2 . 17599 1 992 . 1 1 85 85 LEU HD22 H 1 0.623 0.02 . 2 . . . . 212 LEU QD2 . 17599 1 993 . 1 1 85 85 LEU HD23 H 1 0.623 0.02 . 2 . . . . 212 LEU QD2 . 17599 1 994 . 1 1 85 85 LEU C C 13 174.025 0.1 . 1 . . . A 212 LEU C . 17599 1 995 . 1 1 85 85 LEU CA C 13 53.024 0.1 . 1 . . . A 212 LEU CA . 17599 1 996 . 1 1 85 85 LEU CB C 13 47.532 0.1 . 1 . . . A 212 LEU CB . 17599 1 997 . 1 1 85 85 LEU CG C 13 26.653 0.1 . 1 . . . A 212 LEU CG . 17599 1 998 . 1 1 85 85 LEU CD1 C 13 26.006 0.1 . 1 . . . A 212 LEU CD1 . 17599 1 999 . 1 1 85 85 LEU CD2 C 13 23.468 0.1 . 1 . . . A 212 LEU CD2 . 17599 1 1000 . 1 1 85 85 LEU N N 15 115.016 0.1 . 1 . . . A 212 LEU N . 17599 1 1001 . 1 1 86 86 ALA H H 1 8.846 0.02 . 1 . . . . 213 ALA H . 17599 1 1002 . 1 1 86 86 ALA HA H 1 4.602 0.02 . 1 . . . A 213 ALA HA . 17599 1 1003 . 1 1 86 86 ALA HB1 H 1 1.350 0.02 . 1 . . . . 213 ALA QB . 17599 1 1004 . 1 1 86 86 ALA HB2 H 1 1.350 0.02 . 1 . . . . 213 ALA QB . 17599 1 1005 . 1 1 86 86 ALA HB3 H 1 1.350 0.02 . 1 . . . . 213 ALA QB . 17599 1 1006 . 1 1 86 86 ALA C C 13 176.279 0.1 . 1 . . . A 213 ALA C . 17599 1 1007 . 1 1 86 86 ALA CA C 13 50.520 0.1 . 1 . . . A 213 ALA CA . 17599 1 1008 . 1 1 86 86 ALA CB C 13 22.794 0.1 . 1 . . . A 213 ALA CB . 17599 1 1009 . 1 1 86 86 ALA N N 15 124.526 0.1 . 1 . . . A 213 ALA N . 17599 1 1010 . 1 1 87 87 VAL H H 1 8.162 0.02 . 1 . . . . 214 VAL H . 17599 1 1011 . 1 1 87 87 VAL HA H 1 3.214 0.02 . 1 . . . A 214 VAL HA . 17599 1 1012 . 1 1 87 87 VAL HB H 1 1.828 0.02 . 1 . . . A 214 VAL HB . 17599 1 1013 . 1 1 87 87 VAL HG11 H 1 0.961 0.02 . 2 . . . . 214 VAL QG1 . 17599 1 1014 . 1 1 87 87 VAL HG12 H 1 0.961 0.02 . 2 . . . . 214 VAL QG1 . 17599 1 1015 . 1 1 87 87 VAL HG13 H 1 0.961 0.02 . 2 . . . . 214 VAL QG1 . 17599 1 1016 . 1 1 87 87 VAL HG21 H 1 0.932 0.02 . 2 . . . . 214 VAL QG2 . 17599 1 1017 . 1 1 87 87 VAL HG22 H 1 0.932 0.02 . 2 . . . . 214 VAL QG2 . 17599 1 1018 . 1 1 87 87 VAL HG23 H 1 0.932 0.02 . 2 . . . . 214 VAL QG2 . 17599 1 1019 . 1 1 87 87 VAL C C 13 176.654 0.1 . 1 . . . A 214 VAL C . 17599 1 1020 . 1 1 87 87 VAL CA C 13 65.474 0.1 . 1 . . . A 214 VAL CA . 17599 1 1021 . 1 1 87 87 VAL CB C 13 31.470 0.1 . 1 . . . A 214 VAL CB . 17599 1 1022 . 1 1 87 87 VAL CG1 C 13 23.229 0.1 . 1 . . . A 214 VAL CG1 . 17599 1 1023 . 1 1 87 87 VAL CG2 C 13 21.474 0.1 . 1 . . . A 214 VAL CG2 . 17599 1 1024 . 1 1 87 87 VAL N N 15 118.800 0.1 . 1 . . . A 214 VAL N . 17599 1 1025 . 1 1 88 88 ASN H H 1 9.088 0.02 . 1 . . . . 215 ASN H . 17599 1 1026 . 1 1 88 88 ASN HA H 1 4.286 0.02 . 1 . . . A 215 ASN HA . 17599 1 1027 . 1 1 88 88 ASN HB2 H 1 3.488 0.02 . 2 . . . . 215 ASN HB2 . 17599 1 1028 . 1 1 88 88 ASN HB3 H 1 3.028 0.02 . 2 . . . . 215 ASN HB3 . 17599 1 1029 . 1 1 88 88 ASN HD21 H 1 7.642 0.02 . 2 . . . . 215 ASN HD21 . 17599 1 1030 . 1 1 88 88 ASN HD22 H 1 6.956 0.02 . 2 . . . . 215 ASN HD22 . 17599 1 1031 . 1 1 88 88 ASN C C 13 175.393 0.1 . 1 . . . A 215 ASN C . 17599 1 1032 . 1 1 88 88 ASN CA C 13 56.805 0.1 . 1 . . . A 215 ASN CA . 17599 1 1033 . 1 1 88 88 ASN CB C 13 37.095 0.1 . 1 . . . A 215 ASN CB . 17599 1 1034 . 1 1 88 88 ASN N N 15 116.783 0.1 . 1 . . . A 215 ASN N . 17599 1 1035 . 1 1 88 88 ASN ND2 N 15 114.759 0.1 . 1 . . . A 215 ASN ND2 . 17599 1 1036 . 1 1 89 89 ASP H H 1 8.202 0.02 . 1 . . . . 216 ASP H . 17599 1 1037 . 1 1 89 89 ASP HA H 1 4.545 0.02 . 1 . . . A 216 ASP HA . 17599 1 1038 . 1 1 89 89 ASP HB2 H 1 2.845 0.02 . 2 . . . . 216 ASP HB2 . 17599 1 1039 . 1 1 89 89 ASP HB3 H 1 2.125 0.02 . 2 . . . . 216 ASP HB3 . 17599 1 1040 . 1 1 89 89 ASP C C 13 175.688 0.1 . 1 . . . A 216 ASP C . 17599 1 1041 . 1 1 89 89 ASP CA C 13 56.794 0.1 . 1 . . . A 216 ASP CA . 17599 1 1042 . 1 1 89 89 ASP CB C 13 40.863 0.1 . 1 . . . A 216 ASP CB . 17599 1 1043 . 1 1 89 89 ASP N N 15 123.149 0.1 . 1 . . . A 216 ASP N . 17599 1 1044 . 1 1 90 90 GLU H H 1 8.242 0.02 . 1 . . . . 217 GLU H . 17599 1 1045 . 1 1 90 90 GLU HA H 1 4.301 0.02 . 1 . . . A 217 GLU HA . 17599 1 1046 . 1 1 90 90 GLU HB2 H 1 1.859 0.02 . 2 . . . . 217 GLU HB2 . 17599 1 1047 . 1 1 90 90 GLU HB3 H 1 1.744 0.02 . 2 . . . . 217 GLU HB3 . 17599 1 1048 . 1 1 90 90 GLU C C 13 176.591 0.1 . 1 . . . A 217 GLU C . 17599 1 1049 . 1 1 90 90 GLU CA C 13 54.756 0.1 . 1 . . . A 217 GLU CA . 17599 1 1050 . 1 1 90 90 GLU CB C 13 31.509 0.1 . 1 . . . A 217 GLU CB . 17599 1 1051 . 1 1 90 90 GLU N N 15 123.621 0.1 . 1 . . . A 217 GLU N . 17599 1 1052 . 1 1 91 91 VAL H H 1 8.998 0.02 . 1 . . . . 218 VAL H . 17599 1 1053 . 1 1 91 91 VAL HA H 1 3.677 0.02 . 1 . . . A 218 VAL HA . 17599 1 1054 . 1 1 91 91 VAL HB H 1 1.712 0.02 . 1 . . . A 218 VAL HB . 17599 1 1055 . 1 1 91 91 VAL HG11 H 1 0.690 0.02 . 2 . . . . 218 VAL QG1 . 17599 1 1056 . 1 1 91 91 VAL HG12 H 1 0.690 0.02 . 2 . . . . 218 VAL QG1 . 17599 1 1057 . 1 1 91 91 VAL HG13 H 1 0.690 0.02 . 2 . . . . 218 VAL QG1 . 17599 1 1058 . 1 1 91 91 VAL HG21 H 1 0.700 0.02 . 2 . . . . 218 VAL QG2 . 17599 1 1059 . 1 1 91 91 VAL HG22 H 1 0.700 0.02 . 2 . . . . 218 VAL QG2 . 17599 1 1060 . 1 1 91 91 VAL HG23 H 1 0.700 0.02 . 2 . . . . 218 VAL QG2 . 17599 1 1061 . 1 1 91 91 VAL C C 13 173.837 0.1 . 1 . . . A 218 VAL C . 17599 1 1062 . 1 1 91 91 VAL CA C 13 63.953 0.1 . 1 . . . A 218 VAL CA . 17599 1 1063 . 1 1 91 91 VAL CB C 13 32.156 0.1 . 1 . . . A 218 VAL CB . 17599 1 1064 . 1 1 91 91 VAL CG1 C 13 22.154 0.1 . 1 . . . A 218 VAL CG1 . 17599 1 1065 . 1 1 91 91 VAL CG2 C 13 21.474 0.1 . 1 . . . A 218 VAL CG2 . 17599 1 1066 . 1 1 91 91 VAL N N 15 128.318 0.1 . 1 . . . A 218 VAL N . 17599 1 1067 . 1 1 92 92 ILE H H 1 9.033 0.02 . 1 . . . . 219 ILE H . 17599 1 1068 . 1 1 92 92 ILE HA H 1 4.427 0.02 . 1 . . . A 219 ILE HA . 17599 1 1069 . 1 1 92 92 ILE HB H 1 1.679 0.02 . 1 . . . A 219 ILE HB . 17599 1 1070 . 1 1 92 92 ILE HG12 H 1 0.886 0.02 . 2 . . . . 219 ILE HG12 . 17599 1 1071 . 1 1 92 92 ILE HG13 H 1 0.836 0.02 . 2 . . . . 219 ILE HG13 . 17599 1 1072 . 1 1 92 92 ILE HG21 H 1 0.916 0.02 . 1 . . . . 219 ILE QG2 . 17599 1 1073 . 1 1 92 92 ILE HG22 H 1 0.916 0.02 . 1 . . . . 219 ILE QG2 . 17599 1 1074 . 1 1 92 92 ILE HG23 H 1 0.916 0.02 . 1 . . . . 219 ILE QG2 . 17599 1 1075 . 1 1 92 92 ILE HD11 H 1 0.411 0.02 . 1 . . . . 219 ILE QD1 . 17599 1 1076 . 1 1 92 92 ILE HD12 H 1 0.411 0.02 . 1 . . . . 219 ILE QD1 . 17599 1 1077 . 1 1 92 92 ILE HD13 H 1 0.411 0.02 . 1 . . . . 219 ILE QD1 . 17599 1 1078 . 1 1 92 92 ILE C C 13 177.923 0.1 . 1 . . . A 219 ILE C . 17599 1 1079 . 1 1 92 92 ILE CA C 13 60.560 0.1 . 1 . . . A 219 ILE CA . 17599 1 1080 . 1 1 92 92 ILE CB C 13 38.702 0.1 . 1 . . . A 219 ILE CB . 17599 1 1081 . 1 1 92 92 ILE CG1 C 13 26.329 0.1 . 1 . . . A 219 ILE CG1 . 17599 1 1082 . 1 1 92 92 ILE CG2 C 13 17.824 0.1 . 1 . . . A 219 ILE CG2 . 17599 1 1083 . 1 1 92 92 ILE CD1 C 13 9.820 0.1 . 1 . . . A 219 ILE CD1 . 17599 1 1084 . 1 1 92 92 ILE N N 15 123.755 0.1 . 1 . . . A 219 ILE N . 17599 1 1085 . 1 1 93 93 GLU H H 1 7.872 0.02 . 1 . . . . 220 GLU H . 17599 1 1086 . 1 1 93 93 GLU HA H 1 5.179 0.02 . 1 . . . A 220 GLU HA . 17599 1 1087 . 1 1 93 93 GLU HB2 H 1 1.877 0.02 . 2 . . . . 220 GLU HB2 . 17599 1 1088 . 1 1 93 93 GLU HB3 H 1 1.691 0.02 . 2 . . . . 220 GLU HB3 . 17599 1 1089 . 1 1 93 93 GLU HG2 H 1 1.962 0.02 . 1 . . . . 220 GLU HG2 . 17599 1 1090 . 1 1 93 93 GLU HG3 H 1 1.962 0.02 . 1 . . . . 220 GLU HG3 . 17599 1 1091 . 1 1 93 93 GLU C C 13 174.830 0.1 . 1 . . . A 220 GLU C . 17599 1 1092 . 1 1 93 93 GLU CA C 13 55.331 0.1 . 1 . . . A 220 GLU CA . 17599 1 1093 . 1 1 93 93 GLU CB C 13 35.837 0.1 . 1 . . . A 220 GLU CB . 17599 1 1094 . 1 1 93 93 GLU CG C 13 36.364 0.1 . 1 . . . A 220 GLU CG . 17599 1 1095 . 1 1 93 93 GLU N N 15 119.703 0.1 . 1 . . . A 220 GLU N . 17599 1 1096 . 1 1 94 94 VAL H H 1 8.750 0.02 . 1 . . . . 221 VAL H . 17599 1 1097 . 1 1 94 94 VAL HA H 1 4.606 0.02 . 1 . . . A 221 VAL HA . 17599 1 1098 . 1 1 94 94 VAL HB H 1 1.943 0.02 . 1 . . . A 221 VAL HB . 17599 1 1099 . 1 1 94 94 VAL HG11 H 1 0.794 0.02 . 2 . . . . 221 VAL QG1 . 17599 1 1100 . 1 1 94 94 VAL HG12 H 1 0.794 0.02 . 2 . . . . 221 VAL QG1 . 17599 1 1101 . 1 1 94 94 VAL HG13 H 1 0.794 0.02 . 2 . . . . 221 VAL QG1 . 17599 1 1102 . 1 1 94 94 VAL HG21 H 1 0.766 0.02 . 2 . . . . 221 VAL QG2 . 17599 1 1103 . 1 1 94 94 VAL HG22 H 1 0.766 0.02 . 2 . . . . 221 VAL QG2 . 17599 1 1104 . 1 1 94 94 VAL HG23 H 1 0.766 0.02 . 2 . . . . 221 VAL QG2 . 17599 1 1105 . 1 1 94 94 VAL C C 13 175.438 0.1 . 1 . . . A 221 VAL C . 17599 1 1106 . 1 1 94 94 VAL CA C 13 61.863 0.1 . 1 . . . A 221 VAL CA . 17599 1 1107 . 1 1 94 94 VAL CB C 13 35.208 0.1 . 1 . . . A 221 VAL CB . 17599 1 1108 . 1 1 94 94 VAL CG1 C 13 22.035 0.1 . 1 . . . A 221 VAL CG1 . 17599 1 1109 . 1 1 94 94 VAL CG2 C 13 22.632 0.1 . 1 . . . A 221 VAL CG2 . 17599 1 1110 . 1 1 94 94 VAL N N 15 121.582 0.1 . 1 . . . A 221 VAL N . 17599 1 1111 . 1 1 95 95 ASN H H 1 10.183 0.02 . 1 . . . . 222 ASN H . 17599 1 1112 . 1 1 95 95 ASN HA H 1 4.157 0.02 . 1 . . . A 222 ASN HA . 17599 1 1113 . 1 1 95 95 ASN HB2 H 1 3.010 0.02 . 2 . . . . 222 ASN HB2 . 17599 1 1114 . 1 1 95 95 ASN HB3 H 1 2.661 0.02 . 2 . . . . 222 ASN HB3 . 17599 1 1115 . 1 1 95 95 ASN HD21 H 1 7.598 0.02 . 2 . . . . 222 ASN HD21 . 17599 1 1116 . 1 1 95 95 ASN HD22 H 1 7.319 0.02 . 2 . . . . 222 ASN HD22 . 17599 1 1117 . 1 1 95 95 ASN C C 13 174.821 0.1 . 1 . . . A 222 ASN C . 17599 1 1118 . 1 1 95 95 ASN CA C 13 55.139 0.1 . 1 . . . A 222 ASN CA . 17599 1 1119 . 1 1 95 95 ASN CB C 13 37.751 0.1 . 1 . . . A 222 ASN CB . 17599 1 1120 . 1 1 95 95 ASN N N 15 126.463 0.1 . 1 . . . A 222 ASN N . 17599 1 1121 . 1 1 96 96 GLY H H 1 8.246 0.02 . 1 . . . . 223 GLY H . 17599 1 1122 . 1 1 96 96 GLY HA2 H 1 4.083 0.02 . 2 . . . . 223 GLY HA2 . 17599 1 1123 . 1 1 96 96 GLY HA3 H 1 3.625 0.02 . 2 . . . . 223 GLY HA3 . 17599 1 1124 . 1 1 96 96 GLY C C 13 173.686 0.1 . 1 . . . A 223 GLY C . 17599 1 1125 . 1 1 96 96 GLY CA C 13 45.750 0.1 . 1 . . . A 223 GLY CA . 17599 1 1126 . 1 1 96 96 GLY N N 15 102.310 0.1 . 1 . . . A 223 GLY N . 17599 1 1127 . 1 1 97 97 ILE H H 1 7.970 0.02 . 1 . . . . 224 ILE H . 17599 1 1128 . 1 1 97 97 ILE HA H 1 4.285 0.02 . 1 . . . A 224 ILE HA . 17599 1 1129 . 1 1 97 97 ILE HB H 1 2.090 0.02 . 1 . . . A 224 ILE HB . 17599 1 1130 . 1 1 97 97 ILE HG12 H 1 1.490 0.02 . 2 . . . . 224 ILE HG12 . 17599 1 1131 . 1 1 97 97 ILE HG13 H 1 1.192 0.02 . 2 . . . . 224 ILE HG13 . 17599 1 1132 . 1 1 97 97 ILE HG21 H 1 0.940 0.02 . 1 . . . . 224 ILE QG2 . 17599 1 1133 . 1 1 97 97 ILE HG22 H 1 0.940 0.02 . 1 . . . . 224 ILE QG2 . 17599 1 1134 . 1 1 97 97 ILE HG23 H 1 0.940 0.02 . 1 . . . . 224 ILE QG2 . 17599 1 1135 . 1 1 97 97 ILE HD11 H 1 0.854 0.02 . 1 . . . . 224 ILE QD1 . 17599 1 1136 . 1 1 97 97 ILE HD12 H 1 0.854 0.02 . 1 . . . . 224 ILE QD1 . 17599 1 1137 . 1 1 97 97 ILE HD13 H 1 0.854 0.02 . 1 . . . . 224 ILE QD1 . 17599 1 1138 . 1 1 97 97 ILE C C 13 175.929 0.1 . 1 . . . A 224 ILE C . 17599 1 1139 . 1 1 97 97 ILE CA C 13 59.645 0.1 . 1 . . . A 224 ILE CA . 17599 1 1140 . 1 1 97 97 ILE CB C 13 38.306 0.1 . 1 . . . A 224 ILE CB . 17599 1 1141 . 1 1 97 97 ILE CG1 C 13 26.998 0.1 . 1 . . . A 224 ILE CG1 . 17599 1 1142 . 1 1 97 97 ILE CG2 C 13 17.736 0.1 . 1 . . . A 224 ILE CG2 . 17599 1 1143 . 1 1 97 97 ILE CD1 C 13 11.763 0.1 . 1 . . . A 224 ILE CD1 . 17599 1 1144 . 1 1 97 97 ILE N N 15 122.600 0.1 . 1 . . . A 224 ILE N . 17599 1 1145 . 1 1 98 98 GLU H H 1 8.888 0.02 . 1 . . . . 225 GLU H . 17599 1 1146 . 1 1 98 98 GLU HA H 1 4.497 0.02 . 1 . . . A 225 GLU HA . 17599 1 1147 . 1 1 98 98 GLU HB2 H 1 2.236 0.02 . 2 . . . . 225 GLU HB2 . 17599 1 1148 . 1 1 98 98 GLU HB3 H 1 2.143 0.02 . 2 . . . . 225 GLU HB3 . 17599 1 1149 . 1 1 98 98 GLU HG2 H 1 2.318 0.02 . 2 . . . . 225 GLU HG2 . 17599 1 1150 . 1 1 98 98 GLU HG3 H 1 2.498 0.02 . 2 . . . . 225 GLU HG3 . 17599 1 1151 . 1 1 98 98 GLU C C 13 177.377 0.1 . 1 . . . A 225 GLU C . 17599 1 1152 . 1 1 98 98 GLU CA C 13 57.688 0.1 . 1 . . . A 225 GLU CA . 17599 1 1153 . 1 1 98 98 GLU CB C 13 30.350 0.1 . 1 . . . A 225 GLU CB . 17599 1 1154 . 1 1 98 98 GLU CG C 13 37.335 0.1 . 1 . . . A 225 GLU CG . 17599 1 1155 . 1 1 98 98 GLU N N 15 127.113 0.1 . 1 . . . A 225 GLU N . 17599 1 1156 . 1 1 99 99 VAL H H 1 7.456 0.02 . 1 . . . . 226 VAL H . 17599 1 1157 . 1 1 99 99 VAL HA H 1 4.027 0.02 . 1 . . . A 226 VAL HA . 17599 1 1158 . 1 1 99 99 VAL HB H 1 2.262 0.02 . 1 . . . A 226 VAL HB . 17599 1 1159 . 1 1 99 99 VAL HG11 H 1 0.765 0.02 . 2 . . . . 226 VAL QG1 . 17599 1 1160 . 1 1 99 99 VAL HG12 H 1 0.765 0.02 . 2 . . . . 226 VAL QG1 . 17599 1 1161 . 1 1 99 99 VAL HG13 H 1 0.765 0.02 . 2 . . . . 226 VAL QG1 . 17599 1 1162 . 1 1 99 99 VAL HG21 H 1 0.701 0.02 . 2 . . . . 226 VAL QG2 . 17599 1 1163 . 1 1 99 99 VAL HG22 H 1 0.701 0.02 . 2 . . . . 226 VAL QG2 . 17599 1 1164 . 1 1 99 99 VAL HG23 H 1 0.701 0.02 . 2 . . . . 226 VAL QG2 . 17599 1 1165 . 1 1 99 99 VAL C C 13 175.545 0.1 . 1 . . . A 226 VAL C . 17599 1 1166 . 1 1 99 99 VAL CA C 13 62.180 0.1 . 1 . . . A 226 VAL CA . 17599 1 1167 . 1 1 99 99 VAL CB C 13 31.230 0.1 . 1 . . . A 226 VAL CB . 17599 1 1168 . 1 1 99 99 VAL CG1 C 13 22.632 0.1 . 1 . . . A 226 VAL CG1 . 17599 1 1169 . 1 1 99 99 VAL CG2 C 13 19.855 0.1 . 1 . . . A 226 VAL CG2 . 17599 1 1170 . 1 1 99 99 VAL N N 15 113.546 0.1 . 1 . . . A 226 VAL N . 17599 1 1171 . 1 1 100 100 ALA H H 1 7.635 0.02 . 1 . . . . 227 ALA H . 17599 1 1172 . 1 1 100 100 ALA HA H 1 4.187 0.02 . 1 . . . A 227 ALA HA . 17599 1 1173 . 1 1 100 100 ALA HB1 H 1 1.372 0.02 . 1 . . . . 227 ALA QB . 17599 1 1174 . 1 1 100 100 ALA HB2 H 1 1.372 0.02 . 1 . . . . 227 ALA QB . 17599 1 1175 . 1 1 100 100 ALA HB3 H 1 1.372 0.02 . 1 . . . . 227 ALA QB . 17599 1 1176 . 1 1 100 100 ALA C C 13 178.620 0.1 . 1 . . . A 227 ALA C . 17599 1 1177 . 1 1 100 100 ALA CA C 13 54.070 0.1 . 1 . . . A 227 ALA CA . 17599 1 1178 . 1 1 100 100 ALA CB C 13 18.308 0.1 . 1 . . . A 227 ALA CB . 17599 1 1179 . 1 1 100 100 ALA N N 15 125.006 0.1 . 1 . . . A 227 ALA N . 17599 1 1180 . 1 1 101 101 GLY H H 1 8.851 0.02 . 1 . . . . 228 GLY H . 17599 1 1181 . 1 1 101 101 GLY HA2 H 1 4.206 0.02 . 2 . . . . 228 GLY HA2 . 17599 1 1182 . 1 1 101 101 GLY HA3 H 1 3.730 0.02 . 2 . . . . 228 GLY HA3 . 17599 1 1183 . 1 1 101 101 GLY C C 13 174.696 0.1 . 1 . . . A 228 GLY C . 17599 1 1184 . 1 1 101 101 GLY CA C 13 45.659 0.1 . 1 . . . A 228 GLY CA . 17599 1 1185 . 1 1 101 101 GLY N N 15 111.697 0.1 . 1 . . . A 228 GLY N . 17599 1 1186 . 1 1 102 102 LYS H H 1 8.048 0.02 . 1 . . . . 229 LYS H . 17599 1 1187 . 1 1 102 102 LYS HA H 1 4.746 0.02 . 1 . . . A 229 LYS HA . 17599 1 1188 . 1 1 102 102 LYS HB2 H 1 1.965 0.02 . 2 . . . . 229 LYS HB2 . 17599 1 1189 . 1 1 102 102 LYS HB3 H 1 1.833 0.02 . 2 . . . . 229 LYS HB3 . 17599 1 1190 . 1 1 102 102 LYS HG2 H 1 1.305 0.02 . 1 . . . . 229 LYS HG2 . 17599 1 1191 . 1 1 102 102 LYS HG3 H 1 1.305 0.02 . 1 . . . . 229 LYS HG3 . 17599 1 1192 . 1 1 102 102 LYS HD2 H 1 1.586 0.02 . 2 . . . . 229 LYS HD2 . 17599 1 1193 . 1 1 102 102 LYS HD3 H 1 1.459 0.02 . 2 . . . . 229 LYS HD3 . 17599 1 1194 . 1 1 102 102 LYS HE2 H 1 2.978 0.02 . 1 . . . . 229 LYS HE2 . 17599 1 1195 . 1 1 102 102 LYS HE3 H 1 2.978 0.02 . 1 . . . . 229 LYS HE3 . 17599 1 1196 . 1 1 102 102 LYS C C 13 176.841 0.1 . 1 . . . A 229 LYS C . 17599 1 1197 . 1 1 102 102 LYS CA C 13 55.189 0.1 . 1 . . . A 229 LYS CA . 17599 1 1198 . 1 1 102 102 LYS CB C 13 34.283 0.1 . 1 . . . A 229 LYS CB . 17599 1 1199 . 1 1 102 102 LYS CG C 13 26.453 0.1 . 1 . . . A 229 LYS CG . 17599 1 1200 . 1 1 102 102 LYS CD C 13 29.566 0.1 . 1 . . . A 229 LYS CD . 17599 1 1201 . 1 1 102 102 LYS CE C 13 42.838 0.1 . 1 . . . A 229 LYS CE . 17599 1 1202 . 1 1 102 102 LYS N N 15 120.368 0.1 . 1 . . . A 229 LYS N . 17599 1 1203 . 1 1 103 103 THR H H 1 8.588 0.02 . 1 . . . . 230 THR H . 17599 1 1204 . 1 1 103 103 THR HA H 1 4.514 0.02 . 1 . . . A 230 THR HA . 17599 1 1205 . 1 1 103 103 THR HB H 1 4.764 0.02 . 1 . . . A 230 THR HB . 17599 1 1206 . 1 1 103 103 THR HG21 H 1 1.338 0.02 . 1 . . . . 230 THR QG2 . 17599 1 1207 . 1 1 103 103 THR HG22 H 1 1.338 0.02 . 1 . . . . 230 THR QG2 . 17599 1 1208 . 1 1 103 103 THR HG23 H 1 1.338 0.02 . 1 . . . . 230 THR QG2 . 17599 1 1209 . 1 1 103 103 THR C C 13 175.902 0.1 . 1 . . . A 230 THR C . 17599 1 1210 . 1 1 103 103 THR CA C 13 60.659 0.1 . 1 . . . A 230 THR CA . 17599 1 1211 . 1 1 103 103 THR CB C 13 71.559 0.1 . 1 . . . A 230 THR CB . 17599 1 1212 . 1 1 103 103 THR CG2 C 13 22.393 0.1 . 1 . . . A 230 THR CG2 . 17599 1 1213 . 1 1 103 103 THR N N 15 111.136 0.1 . 1 . . . A 230 THR N . 17599 1 1214 . 1 1 104 104 LEU H H 1 8.972 0.02 . 1 . . . . 231 LEU H . 17599 1 1215 . 1 1 104 104 LEU HA H 1 3.893 0.02 . 1 . . . A 231 LEU HA . 17599 1 1216 . 1 1 104 104 LEU HB2 H 1 1.729 0.02 . 2 . . . . 231 LEU HB2 . 17599 1 1217 . 1 1 104 104 LEU HB3 H 1 1.823 0.02 . 2 . . . . 231 LEU HB3 . 17599 1 1218 . 1 1 104 104 LEU HG H 1 1.746 0.02 . 1 . . . A 231 LEU HG . 17599 1 1219 . 1 1 104 104 LEU HD11 H 1 0.913 0.02 . 2 . . . . 231 LEU QD1 . 17599 1 1220 . 1 1 104 104 LEU HD12 H 1 0.913 0.02 . 2 . . . . 231 LEU QD1 . 17599 1 1221 . 1 1 104 104 LEU HD13 H 1 0.913 0.02 . 2 . . . . 231 LEU QD1 . 17599 1 1222 . 1 1 104 104 LEU HD21 H 1 0.930 0.02 . 2 . . . . 231 LEU QD2 . 17599 1 1223 . 1 1 104 104 LEU HD22 H 1 0.930 0.02 . 2 . . . . 231 LEU QD2 . 17599 1 1224 . 1 1 104 104 LEU HD23 H 1 0.930 0.02 . 2 . . . . 231 LEU QD2 . 17599 1 1225 . 1 1 104 104 LEU C C 13 179.988 0.1 . 1 . . . A 231 LEU C . 17599 1 1226 . 1 1 104 104 LEU CA C 13 59.075 0.1 . 1 . . . A 231 LEU CA . 17599 1 1227 . 1 1 104 104 LEU CB C 13 41.906 0.1 . 1 . . . A 231 LEU CB . 17599 1 1228 . 1 1 104 104 LEU CG C 13 26.977 0.1 . 1 . . . A 231 LEU CG . 17599 1 1229 . 1 1 104 104 LEU CD1 C 13 24.781 0.1 . 1 . . . A 231 LEU CD1 . 17599 1 1230 . 1 1 104 104 LEU CD2 C 13 25.035 0.1 . 1 . . . A 231 LEU CD2 . 17599 1 1231 . 1 1 104 104 LEU N N 15 121.185 0.1 . 1 . . . A 231 LEU N . 17599 1 1232 . 1 1 105 105 ASP H H 1 8.434 0.02 . 1 . . . . 232 ASP H . 17599 1 1233 . 1 1 105 105 ASP HA H 1 4.365 0.02 . 1 . . . A 232 ASP HA . 17599 1 1234 . 1 1 105 105 ASP HB2 H 1 2.739 0.02 . 2 . . . . 232 ASP HB2 . 17599 1 1235 . 1 1 105 105 ASP HB3 H 1 2.526 0.02 . 2 . . . . 232 ASP HB3 . 17599 1 1236 . 1 1 105 105 ASP C C 13 178.414 0.1 . 1 . . . A 232 ASP C . 17599 1 1237 . 1 1 105 105 ASP CA C 13 57.618 0.1 . 1 . . . A 232 ASP CA . 17599 1 1238 . 1 1 105 105 ASP CB C 13 40.443 0.1 . 1 . . . A 232 ASP CB . 17599 1 1239 . 1 1 105 105 ASP N N 15 117.795 0.1 . 1 . . . A 232 ASP N . 17599 1 1240 . 1 1 106 106 GLN H H 1 7.715 0.02 . 1 . . . . 233 GLN H . 17599 1 1241 . 1 1 106 106 GLN HA H 1 4.123 0.02 . 1 . . . A 233 GLN HA . 17599 1 1242 . 1 1 106 106 GLN HB2 H 1 2.540 0.02 . 2 . . . . 233 GLN HB2 . 17599 1 1243 . 1 1 106 106 GLN HB3 H 1 1.912 0.02 . 2 . . . . 233 GLN HB3 . 17599 1 1244 . 1 1 106 106 GLN HG2 H 1 2.536 0.02 . 2 . . . . 233 GLN HG2 . 17599 1 1245 . 1 1 106 106 GLN HG3 H 1 2.480 0.02 . 2 . . . . 233 GLN HG3 . 17599 1 1246 . 1 1 106 106 GLN C C 13 179.943 0.1 . 1 . . . A 233 GLN C . 17599 1 1247 . 1 1 106 106 GLN CA C 13 59.075 0.1 . 1 . . . A 233 GLN CA . 17599 1 1248 . 1 1 106 106 GLN CB C 13 29.316 0.1 . 1 . . . A 233 GLN CB . 17599 1 1249 . 1 1 106 106 GLN CG C 13 35.069 0.1 . 1 . . . A 233 GLN CG . 17599 1 1250 . 1 1 106 106 GLN N N 15 119.409 0.1 . 1 . . . A 233 GLN N . 17599 1 1251 . 1 1 107 107 VAL H H 1 8.432 0.02 . 1 . . . . 234 VAL H . 17599 1 1252 . 1 1 107 107 VAL HA H 1 3.777 0.02 . 1 . . . A 234 VAL HA . 17599 1 1253 . 1 1 107 107 VAL HB H 1 2.120 0.02 . 1 . . . A 234 VAL HB . 17599 1 1254 . 1 1 107 107 VAL HG11 H 1 0.902 0.02 . 2 . . . . 234 VAL QG1 . 17599 1 1255 . 1 1 107 107 VAL HG12 H 1 0.902 0.02 . 2 . . . . 234 VAL QG1 . 17599 1 1256 . 1 1 107 107 VAL HG13 H 1 0.902 0.02 . 2 . . . . 234 VAL QG1 . 17599 1 1257 . 1 1 107 107 VAL HG21 H 1 0.997 0.02 . 2 . . . . 234 VAL QG2 . 17599 1 1258 . 1 1 107 107 VAL HG22 H 1 0.997 0.02 . 2 . . . . 234 VAL QG2 . 17599 1 1259 . 1 1 107 107 VAL HG23 H 1 0.997 0.02 . 2 . . . . 234 VAL QG2 . 17599 1 1260 . 1 1 107 107 VAL C C 13 178.164 0.1 . 1 . . . A 234 VAL C . 17599 1 1261 . 1 1 107 107 VAL CA C 13 67.058 0.1 . 1 . . . A 234 VAL CA . 17599 1 1262 . 1 1 107 107 VAL CB C 13 31.350 0.1 . 1 . . . A 234 VAL CB . 17599 1 1263 . 1 1 107 107 VAL CG1 C 13 22.800 0.1 . 1 . . . A 234 VAL CG1 . 17599 1 1264 . 1 1 107 107 VAL CG2 C 13 24.000 0.1 . 1 . . . A 234 VAL CG2 . 17599 1 1265 . 1 1 107 107 VAL N N 15 121.212 0.1 . 1 . . . A 234 VAL N . 17599 1 1266 . 1 1 108 108 THR H H 1 8.752 0.02 . 1 . . . . 235 THR H . 17599 1 1267 . 1 1 108 108 THR HA H 1 4.391 0.02 . 1 . . . A 235 THR HA . 17599 1 1268 . 1 1 108 108 THR HB H 1 3.798 0.02 . 1 . . . A 235 THR HB . 17599 1 1269 . 1 1 108 108 THR HG21 H 1 1.238 0.02 . 1 . . . . 235 THR QG2 . 17599 1 1270 . 1 1 108 108 THR HG22 H 1 1.238 0.02 . 1 . . . . 235 THR QG2 . 17599 1 1271 . 1 1 108 108 THR HG23 H 1 1.238 0.02 . 1 . . . . 235 THR QG2 . 17599 1 1272 . 1 1 108 108 THR C C 13 176.663 0.1 . 1 . . . A 235 THR C . 17599 1 1273 . 1 1 108 108 THR CA C 13 68.261 0.1 . 1 . . . A 235 THR CA . 17599 1 1274 . 1 1 108 108 THR CB C 13 68.084 0.1 . 1 . . . A 235 THR CB . 17599 1 1275 . 1 1 108 108 THR CG2 C 13 21.916 0.1 . 1 . . . A 235 THR CG2 . 17599 1 1276 . 1 1 108 108 THR N N 15 118.486 0.1 . 1 . . . A 235 THR N . 17599 1 1277 . 1 1 109 109 ASP H H 1 7.903 0.02 . 1 . . . . 236 ASP H . 17599 1 1278 . 1 1 109 109 ASP HA H 1 4.400 0.02 . 1 . . . A 236 ASP HA . 17599 1 1279 . 1 1 109 109 ASP HB2 H 1 2.628 0.02 . 2 . . . . 236 ASP HB2 . 17599 1 1280 . 1 1 109 109 ASP HB3 H 1 2.812 0.02 . 2 . . . . 236 ASP HB3 . 17599 1 1281 . 1 1 109 109 ASP C C 13 179.318 0.1 . 1 . . . A 236 ASP C . 17599 1 1282 . 1 1 109 109 ASP CA C 13 57.891 0.1 . 1 . . . A 236 ASP CA . 17599 1 1283 . 1 1 109 109 ASP CB C 13 40.691 0.1 . 1 . . . A 236 ASP CB . 17599 1 1284 . 1 1 109 109 ASP N N 15 120.777 0.1 . 1 . . . A 236 ASP N . 17599 1 1285 . 1 1 110 110 MET H H 1 7.800 0.02 . 1 . . . . 237 MET H . 17599 1 1286 . 1 1 110 110 MET HA H 1 4.113 0.02 . 1 . . . A 237 MET HA . 17599 1 1287 . 1 1 110 110 MET HB2 H 1 2.079 0.02 . 2 . . . . 237 MET HB2 . 17599 1 1288 . 1 1 110 110 MET HB3 H 1 2.411 0.02 . 2 . . . . 237 MET HB3 . 17599 1 1289 . 1 1 110 110 MET HG2 H 1 2.867 0.02 . 2 . . . . 237 MET HG2 . 17599 1 1290 . 1 1 110 110 MET HG3 H 1 2.609 0.02 . 2 . . . . 237 MET HG3 . 17599 1 1291 . 1 1 110 110 MET HE1 H 1 1.983 0.02 . 1 . . . . 237 MET QE . 17599 1 1292 . 1 1 110 110 MET HE2 H 1 1.983 0.02 . 1 . . . . 237 MET QE . 17599 1 1293 . 1 1 110 110 MET HE3 H 1 1.983 0.02 . 1 . . . . 237 MET QE . 17599 1 1294 . 1 1 110 110 MET C C 13 178.655 0.1 . 1 . . . A 237 MET C . 17599 1 1295 . 1 1 110 110 MET CA C 13 59.569 0.1 . 1 . . . A 237 MET CA . 17599 1 1296 . 1 1 110 110 MET CB C 13 34.300 0.1 . 1 . . . A 237 MET CB . 17599 1 1297 . 1 1 110 110 MET CG C 13 31.509 0.1 . 1 . . . A 237 MET CG . 17599 1 1298 . 1 1 110 110 MET CE C 13 17.265 0.1 . 1 . . . A 237 MET CE . 17599 1 1299 . 1 1 110 110 MET N N 15 118.692 0.1 . 1 . . . A 237 MET N . 17599 1 1300 . 1 1 111 111 MET H H 1 8.014 0.02 . 1 . . . . 238 MET H . 17599 1 1301 . 1 1 111 111 MET HA H 1 4.029 0.02 . 1 . . . A 238 MET HA . 17599 1 1302 . 1 1 111 111 MET HB2 H 1 1.925 0.02 . 2 . . . . 238 MET HB2 . 17599 1 1303 . 1 1 111 111 MET HB3 H 1 2.397 0.02 . 2 . . . . 238 MET HB3 . 17599 1 1304 . 1 1 111 111 MET HG2 H 1 2.986 0.02 . 1 . . . . 238 MET HG2 . 17599 1 1305 . 1 1 111 111 MET HG3 H 1 2.986 0.02 . 1 . . . . 238 MET HG3 . 17599 1 1306 . 1 1 111 111 MET HE1 H 1 1.878 0.02 . 1 . . . . 238 MET QE . 17599 1 1307 . 1 1 111 111 MET HE2 H 1 1.878 0.02 . 1 . . . . 238 MET QE . 17599 1 1308 . 1 1 111 111 MET HE3 H 1 1.878 0.02 . 1 . . . . 238 MET QE . 17599 1 1309 . 1 1 111 111 MET C C 13 177.852 0.1 . 1 . . . A 238 MET C . 17599 1 1310 . 1 1 111 111 MET CA C 13 59.248 0.1 . 1 . . . A 238 MET CA . 17599 1 1311 . 1 1 111 111 MET CB C 13 33.222 0.1 . 1 . . . A 238 MET CB . 17599 1 1312 . 1 1 111 111 MET CG C 13 33.451 0.1 . 1 . . . A 238 MET CG . 17599 1 1313 . 1 1 111 111 MET CE C 13 17.589 0.1 . 1 . . . A 238 MET CE . 17599 1 1314 . 1 1 111 111 MET N N 15 117.479 0.1 . 1 . . . A 238 MET N . 17599 1 1315 . 1 1 112 112 VAL H H 1 8.009 0.02 . 1 . . . . 239 VAL H . 17599 1 1316 . 1 1 112 112 VAL HA H 1 3.928 0.02 . 1 . . . A 239 VAL HA . 17599 1 1317 . 1 1 112 112 VAL HB H 1 2.257 0.02 . 1 . . . A 239 VAL HB . 17599 1 1318 . 1 1 112 112 VAL HG11 H 1 0.935 0.02 . 2 . . . . 239 VAL QG1 . 17599 1 1319 . 1 1 112 112 VAL HG12 H 1 0.935 0.02 . 2 . . . . 239 VAL QG1 . 17599 1 1320 . 1 1 112 112 VAL HG13 H 1 0.935 0.02 . 2 . . . . 239 VAL QG1 . 17599 1 1321 . 1 1 112 112 VAL HG21 H 1 1.029 0.02 . 2 . . . . 239 VAL QG2 . 17599 1 1322 . 1 1 112 112 VAL HG22 H 1 1.029 0.02 . 2 . . . . 239 VAL QG2 . 17599 1 1323 . 1 1 112 112 VAL HG23 H 1 1.029 0.02 . 2 . . . . 239 VAL QG2 . 17599 1 1324 . 1 1 112 112 VAL C C 13 178.316 0.1 . 1 . . . A 239 VAL C . 17599 1 1325 . 1 1 112 112 VAL CA C 13 64.506 0.1 . 1 . . . A 239 VAL CA . 17599 1 1326 . 1 1 112 112 VAL CB C 13 31.710 0.1 . 1 . . . A 239 VAL CB . 17599 1 1327 . 1 1 112 112 VAL CG1 C 13 21.066 0.1 . 1 . . . A 239 VAL CG1 . 17599 1 1328 . 1 1 112 112 VAL CG2 C 13 21.474 0.1 . 1 . . . A 239 VAL CG2 . 17599 1 1329 . 1 1 112 112 VAL N N 15 115.601 0.1 . 1 . . . A 239 VAL N . 17599 1 1330 . 1 1 113 113 ALA H H 1 7.792 0.02 . 1 . . . . 240 ALA H . 17599 1 1331 . 1 1 113 113 ALA HA H 1 4.173 0.02 . 1 . . . A 240 ALA HA . 17599 1 1332 . 1 1 113 113 ALA HB1 H 1 1.467 0.02 . 1 . . . . 240 ALA QB . 17599 1 1333 . 1 1 113 113 ALA HB2 H 1 1.467 0.02 . 1 . . . . 240 ALA QB . 17599 1 1334 . 1 1 113 113 ALA HB3 H 1 1.467 0.02 . 1 . . . . 240 ALA QB . 17599 1 1335 . 1 1 113 113 ALA C C 13 178.227 0.1 . 1 . . . A 240 ALA C . 17599 1 1336 . 1 1 113 113 ALA CA C 13 54.672 0.1 . 1 . . . A 240 ALA CA . 17599 1 1337 . 1 1 113 113 ALA CB C 13 18.884 0.1 . 1 . . . A 240 ALA CB . 17599 1 1338 . 1 1 113 113 ALA N N 15 123.074 0.1 . 1 . . . A 240 ALA N . 17599 1 1339 . 1 1 114 114 ASN H H 1 7.642 0.02 . 1 . . . . 241 ASN H . 17599 1 1340 . 1 1 114 114 ASN HA H 1 4.912 0.02 . 1 . . . A 241 ASN HA . 17599 1 1341 . 1 1 114 114 ASN HB2 H 1 3.154 0.02 . 2 . . . . 241 ASN HB2 . 17599 1 1342 . 1 1 114 114 ASN HB3 H 1 2.580 0.02 . 2 . . . . 241 ASN HB3 . 17599 1 1343 . 1 1 114 114 ASN HD21 H 1 7.642 0.02 . 2 . . . . 241 ASN HD21 . 17599 1 1344 . 1 1 114 114 ASN HD22 H 1 6.990 0.02 . 2 . . . . 241 ASN HD22 . 17599 1 1345 . 1 1 114 114 ASN C C 13 175.563 0.1 . 1 . . . A 241 ASN C . 17599 1 1346 . 1 1 114 114 ASN CA C 13 53.844 0.1 . 1 . . . A 241 ASN CA . 17599 1 1347 . 1 1 114 114 ASN CB C 13 39.925 0.1 . 1 . . . A 241 ASN CB . 17599 1 1348 . 1 1 114 114 ASN N N 15 115.343 0.1 . 1 . . . A 241 ASN N . 17599 1 1349 . 1 1 114 114 ASN ND2 N 15 114.502 0.1 . 1 . . . A 241 ASN ND2 . 17599 1 1350 . 1 1 115 115 SER H H 1 6.992 0.02 . 1 . . . . 242 SER H . 17599 1 1351 . 1 1 115 115 SER HA H 1 4.207 0.02 . 1 . . . A 242 SER HA . 17599 1 1352 . 1 1 115 115 SER HB2 H 1 4.036 0.02 . 1 . . . . 242 SER HB2 . 17599 1 1353 . 1 1 115 115 SER HB3 H 1 4.036 0.02 . 1 . . . . 242 SER HB3 . 17599 1 1354 . 1 1 115 115 SER C C 13 174.782 0.1 . 1 . . . A 242 SER C . 17599 1 1355 . 1 1 115 115 SER CA C 13 61.033 0.1 . 1 . . . A 242 SER CA . 17599 1 1356 . 1 1 115 115 SER CB C 13 64.203 0.1 . 1 . . . A 242 SER CB . 17599 1 1357 . 1 1 115 115 SER N N 15 114.759 0.1 . 1 . . . A 242 SER N . 17599 1 1358 . 1 1 116 116 SER H H 1 8.425 0.02 . 1 . . . . 243 SER H . 17599 1 1359 . 1 1 116 116 SER HA H 1 4.484 0.02 . 1 . . . A 243 SER HA . 17599 1 1360 . 1 1 116 116 SER HB2 H 1 3.926 0.02 . 1 . . . . 243 SER HB2 . 17599 1 1361 . 1 1 116 116 SER HB3 H 1 3.926 0.02 . 1 . . . . 243 SER HB3 . 17599 1 1362 . 1 1 116 116 SER C C 13 174.463 0.1 . 1 . . . A 243 SER C . 17599 1 1363 . 1 1 116 116 SER CA C 13 60.248 0.1 . 1 . . . A 243 SER CA . 17599 1 1364 . 1 1 116 116 SER CB C 13 64.200 0.1 . 1 . . . A 243 SER CB . 17599 1 1365 . 1 1 116 116 SER N N 15 115.530 0.1 . 1 . . . A 243 SER N . 17599 1 1366 . 1 1 117 117 ASN H H 1 7.925 0.02 . 1 . . . . 244 ASN H . 17599 1 1367 . 1 1 117 117 ASN HA H 1 4.897 0.02 . 1 . . . A 244 ASN HA . 17599 1 1368 . 1 1 117 117 ASN HB2 H 1 2.761 0.02 . 2 . . . . 244 ASN HB2 . 17599 1 1369 . 1 1 117 117 ASN HB3 H 1 2.562 0.02 . 2 . . . . 244 ASN HB3 . 17599 1 1370 . 1 1 117 117 ASN HD21 H 1 7.555 0.02 . 2 . . . . 244 ASN HD21 . 17599 1 1371 . 1 1 117 117 ASN HD22 H 1 6.812 0.02 . 2 . . . . 244 ASN HD22 . 17599 1 1372 . 1 1 117 117 ASN C C 13 172.523 0.1 . 1 . . . A 244 ASN C . 17599 1 1373 . 1 1 117 117 ASN CA C 13 53.609 0.1 . 1 . . . A 244 ASN CA . 17599 1 1374 . 1 1 117 117 ASN CB C 13 39.786 0.1 . 1 . . . A 244 ASN CB . 17599 1 1375 . 1 1 117 117 ASN N N 15 118.766 0.1 . 1 . . . A 244 ASN N . 17599 1 1376 . 1 1 117 117 ASN ND2 N 15 110.904 0.1 . 1 . . . A 244 ASN ND2 . 17599 1 1377 . 1 1 118 118 LEU H H 1 8.478 0.02 . 1 . . . . 245 LEU H . 17599 1 1378 . 1 1 118 118 LEU HA H 1 4.758 0.02 . 1 . . . A 245 LEU HA . 17599 1 1379 . 1 1 118 118 LEU HB2 H 1 1.581 0.02 . 2 . . . . 245 LEU HB2 . 17599 1 1380 . 1 1 118 118 LEU HB3 H 1 1.990 0.02 . 2 . . . . 245 LEU HB3 . 17599 1 1381 . 1 1 118 118 LEU HG H 1 1.544 0.02 . 1 . . . A 245 LEU HG . 17599 1 1382 . 1 1 118 118 LEU HD11 H 1 1.113 0.02 . 2 . . . . 245 LEU QD1 . 17599 1 1383 . 1 1 118 118 LEU HD12 H 1 1.113 0.02 . 2 . . . . 245 LEU QD1 . 17599 1 1384 . 1 1 118 118 LEU HD13 H 1 1.113 0.02 . 2 . . . . 245 LEU QD1 . 17599 1 1385 . 1 1 118 118 LEU HD21 H 1 1.095 0.02 . 2 . . . . 245 LEU QD2 . 17599 1 1386 . 1 1 118 118 LEU HD22 H 1 1.095 0.02 . 2 . . . . 245 LEU QD2 . 17599 1 1387 . 1 1 118 118 LEU HD23 H 1 1.095 0.02 . 2 . . . . 245 LEU QD2 . 17599 1 1388 . 1 1 118 118 LEU C C 13 174.515 0.1 . 1 . . . A 245 LEU C . 17599 1 1389 . 1 1 118 118 LEU CA C 13 55.095 0.1 . 1 . . . A 245 LEU CA . 17599 1 1390 . 1 1 118 118 LEU CB C 13 44.513 0.1 . 1 . . . A 245 LEU CB . 17599 1 1391 . 1 1 118 118 LEU CG C 13 27.948 0.1 . 1 . . . A 245 LEU CG . 17599 1 1392 . 1 1 118 118 LEU CD1 C 13 25.130 0.1 . 1 . . . A 245 LEU CD1 . 17599 1 1393 . 1 1 118 118 LEU CD2 C 13 27.624 0.1 . 1 . . . A 245 LEU CD2 . 17599 1 1394 . 1 1 118 118 LEU N N 15 125.229 0.1 . 1 . . . A 245 LEU N . 17599 1 1395 . 1 1 119 119 ILE H H 1 7.264 0.02 . 1 . . . . 246 ILE H . 17599 1 1396 . 1 1 119 119 ILE HA H 1 5.236 0.02 . 1 . . . A 246 ILE HA . 17599 1 1397 . 1 1 119 119 ILE HB H 1 1.683 0.02 . 1 . . . A 246 ILE HB . 17599 1 1398 . 1 1 119 119 ILE HG12 H 1 1.592 0.02 . 1 . . . . 246 ILE HG12 . 17599 1 1399 . 1 1 119 119 ILE HG13 H 1 1.592 0.02 . 1 . . . . 246 ILE HG13 . 17599 1 1400 . 1 1 119 119 ILE HG21 H 1 0.787 0.02 . 1 . . . . 246 ILE QG2 . 17599 1 1401 . 1 1 119 119 ILE HG22 H 1 0.787 0.02 . 1 . . . . 246 ILE QG2 . 17599 1 1402 . 1 1 119 119 ILE HG23 H 1 0.787 0.02 . 1 . . . . 246 ILE QG2 . 17599 1 1403 . 1 1 119 119 ILE HD11 H 1 0.803 0.02 . 1 . . . . 246 ILE QD1 . 17599 1 1404 . 1 1 119 119 ILE HD12 H 1 0.803 0.02 . 1 . . . . 246 ILE QD1 . 17599 1 1405 . 1 1 119 119 ILE HD13 H 1 0.803 0.02 . 1 . . . . 246 ILE QD1 . 17599 1 1406 . 1 1 119 119 ILE C C 13 175.715 0.1 . 1 . . . A 246 ILE C . 17599 1 1407 . 1 1 119 119 ILE CA C 13 59.700 0.1 . 1 . . . A 246 ILE CA . 17599 1 1408 . 1 1 119 119 ILE CB C 13 39.546 0.1 . 1 . . . A 246 ILE CB . 17599 1 1409 . 1 1 119 119 ILE CG1 C 13 28.013 0.1 . 1 . . . A 246 ILE CG1 . 17599 1 1410 . 1 1 119 119 ILE CG2 C 13 17.913 0.1 . 1 . . . A 246 ILE CG2 . 17599 1 1411 . 1 1 119 119 ILE CD1 C 13 13.104 0.1 . 1 . . . A 246 ILE CD1 . 17599 1 1412 . 1 1 119 119 ILE N N 15 127.076 0.1 . 1 . . . A 246 ILE N . 17599 1 1413 . 1 1 120 120 ILE H H 1 9.372 0.02 . 1 . . . . 247 ILE H . 17599 1 1414 . 1 1 120 120 ILE HA H 1 5.091 0.02 . 1 . . . A 247 ILE HA . 17599 1 1415 . 1 1 120 120 ILE HB H 1 1.618 0.02 . 1 . . . A 247 ILE HB . 17599 1 1416 . 1 1 120 120 ILE HG12 H 1 1.716 0.02 . 1 . . . . 247 ILE HG12 . 17599 1 1417 . 1 1 120 120 ILE HG13 H 1 1.716 0.02 . 1 . . . . 247 ILE HG13 . 17599 1 1418 . 1 1 120 120 ILE HG21 H 1 0.916 0.02 . 1 . . . . 247 ILE QG2 . 17599 1 1419 . 1 1 120 120 ILE HG22 H 1 0.916 0.02 . 1 . . . . 247 ILE QG2 . 17599 1 1420 . 1 1 120 120 ILE HG23 H 1 0.916 0.02 . 1 . . . . 247 ILE QG2 . 17599 1 1421 . 1 1 120 120 ILE HD11 H 1 0.776 0.02 . 1 . . . . 247 ILE QD1 . 17599 1 1422 . 1 1 120 120 ILE HD12 H 1 0.776 0.02 . 1 . . . . 247 ILE QD1 . 17599 1 1423 . 1 1 120 120 ILE HD13 H 1 0.776 0.02 . 1 . . . . 247 ILE QD1 . 17599 1 1424 . 1 1 120 120 ILE C C 13 174.070 0.1 . 1 . . . A 247 ILE C . 17599 1 1425 . 1 1 120 120 ILE CA C 13 59.003 0.1 . 1 . . . A 247 ILE CA . 17599 1 1426 . 1 1 120 120 ILE CB C 13 42.514 0.1 . 1 . . . A 247 ILE CB . 17599 1 1427 . 1 1 120 120 ILE CG1 C 13 27.948 0.1 . 1 . . . A 247 ILE CG1 . 17599 1 1428 . 1 1 120 120 ILE CG2 C 13 17.842 0.1 . 1 . . . A 247 ILE CG2 . 17599 1 1429 . 1 1 120 120 ILE CD1 C 13 14.751 0.1 . 1 . . . A 247 ILE CD1 . 17599 1 1430 . 1 1 120 120 ILE N N 15 127.529 0.1 . 1 . . . A 247 ILE N . 17599 1 1431 . 1 1 121 121 THR H H 1 8.801 0.02 . 1 . . . . 248 THR H . 17599 1 1432 . 1 1 121 121 THR HA H 1 5.404 0.02 . 1 . . . A 248 THR HA . 17599 1 1433 . 1 1 121 121 THR HB H 1 3.919 0.02 . 1 . . . A 248 THR HB . 17599 1 1434 . 1 1 121 121 THR HG21 H 1 1.150 0.02 . 1 . . . . 248 THR QG2 . 17599 1 1435 . 1 1 121 121 THR HG22 H 1 1.150 0.02 . 1 . . . . 248 THR QG2 . 17599 1 1436 . 1 1 121 121 THR HG23 H 1 1.150 0.02 . 1 . . . . 248 THR QG2 . 17599 1 1437 . 1 1 121 121 THR C C 13 174.633 0.1 . 1 . . . A 248 THR C . 17599 1 1438 . 1 1 121 121 THR CA C 13 61.609 0.1 . 1 . . . A 248 THR CA . 17599 1 1439 . 1 1 121 121 THR CB C 13 69.403 0.1 . 1 . . . A 248 THR CB . 17599 1 1440 . 1 1 121 121 THR CG2 C 13 22.393 0.1 . 1 . . . A 248 THR CG2 . 17599 1 1441 . 1 1 121 121 THR N N 15 123.554 0.1 . 1 . . . A 248 THR N . 17599 1 1442 . 1 1 122 122 VAL H H 1 9.673 0.02 . 1 . . . . 249 VAL H . 17599 1 1443 . 1 1 122 122 VAL HA H 1 5.688 0.02 . 1 . . . A 249 VAL HA . 17599 1 1444 . 1 1 122 122 VAL HB H 1 1.873 0.02 . 1 . . . A 249 VAL HB . 17599 1 1445 . 1 1 122 122 VAL HG11 H 1 0.699 0.02 . 2 . . . . 249 VAL QG1 . 17599 1 1446 . 1 1 122 122 VAL HG12 H 1 0.699 0.02 . 2 . . . . 249 VAL QG1 . 17599 1 1447 . 1 1 122 122 VAL HG13 H 1 0.699 0.02 . 2 . . . . 249 VAL QG1 . 17599 1 1448 . 1 1 122 122 VAL HG21 H 1 0.779 0.02 . 2 . . . . 249 VAL QG2 . 17599 1 1449 . 1 1 122 122 VAL HG22 H 1 0.779 0.02 . 2 . . . . 249 VAL QG2 . 17599 1 1450 . 1 1 122 122 VAL HG23 H 1 0.779 0.02 . 2 . . . . 249 VAL QG2 . 17599 1 1451 . 1 1 122 122 VAL C C 13 175.188 0.1 . 1 . . . A 249 VAL C . 17599 1 1452 . 1 1 122 122 VAL CA C 13 57.994 0.1 . 1 . . . A 249 VAL CA . 17599 1 1453 . 1 1 122 122 VAL CB C 13 36.197 0.1 . 1 . . . A 249 VAL CB . 17599 1 1454 . 1 1 122 122 VAL CG1 C 13 21.796 0.1 . 1 . . . A 249 VAL CG1 . 17599 1 1455 . 1 1 122 122 VAL CG2 C 13 17.913 0.1 . 1 . . . A 249 VAL CG2 . 17599 1 1456 . 1 1 122 122 VAL N N 15 120.589 0.1 . 1 . . . A 249 VAL N . 17599 1 1457 . 1 1 123 123 LYS H H 1 9.095 0.02 . 1 . . . . 250 LYS H . 17599 1 1458 . 1 1 123 123 LYS HA H 1 5.128 0.02 . 1 . . . A 250 LYS HA . 17599 1 1459 . 1 1 123 123 LYS HB2 H 1 1.395 0.02 . 2 . . . . 250 LYS HB2 . 17599 1 1460 . 1 1 123 123 LYS HB3 H 1 1.915 0.02 . 2 . . . . 250 LYS HB3 . 17599 1 1461 . 1 1 123 123 LYS HG2 H 1 1.139 0.02 . 2 . . . . 250 LYS HG2 . 17599 1 1462 . 1 1 123 123 LYS HG3 H 1 1.244 0.02 . 2 . . . . 250 LYS HG3 . 17599 1 1463 . 1 1 123 123 LYS HD2 H 1 1.638 0.02 . 1 . . . . 250 LYS HD2 . 17599 1 1464 . 1 1 123 123 LYS HD3 H 1 1.638 0.02 . 1 . . . . 250 LYS HD3 . 17599 1 1465 . 1 1 123 123 LYS HE2 H 1 2.959 0.02 . 2 . . . . 250 LYS HE2 . 17599 1 1466 . 1 1 123 123 LYS HE3 H 1 2.901 0.02 . 2 . . . . 250 LYS HE3 . 17599 1 1467 . 1 1 123 123 LYS CA C 13 53.197 0.1 . 1 . . . A 250 LYS CA . 17599 1 1468 . 1 1 123 123 LYS CB C 13 34.098 0.1 . 1 . . . A 250 LYS CB . 17599 1 1469 . 1 1 123 123 LYS CG C 13 25.035 0.1 . 1 . . . A 250 LYS CG . 17599 1 1470 . 1 1 123 123 LYS CD C 13 29.890 0.1 . 1 . . . A 250 LYS CD . 17599 1 1471 . 1 1 123 123 LYS CE C 13 42.745 0.1 . 1 . . . A 250 LYS CE . 17599 1 1472 . 1 1 123 123 LYS N N 15 122.104 0.1 . 1 . . . A 250 LYS N . 17599 1 1473 . 1 1 124 124 PRO HA H 1 4.410 0.02 . 1 . . . A 251 PRO HA . 17599 1 1474 . 1 1 124 124 PRO HB2 H 1 1.912 0.02 . 2 . . . . 251 PRO HB2 . 17599 1 1475 . 1 1 124 124 PRO HB3 H 1 2.293 0.02 . 2 . . . . 251 PRO HB3 . 17599 1 1476 . 1 1 124 124 PRO HG2 H 1 2.005 0.02 . 2 . . . . 251 PRO HG2 . 17599 1 1477 . 1 1 124 124 PRO HG3 H 1 1.676 0.02 . 2 . . . . 251 PRO HG3 . 17599 1 1478 . 1 1 124 124 PRO HD2 H 1 3.949 0.02 . 2 . . . . 251 PRO HD2 . 17599 1 1479 . 1 1 124 124 PRO HD3 H 1 3.891 0.02 . 2 . . . . 251 PRO HD3 . 17599 1 1480 . 1 1 124 124 PRO C C 13 176.858 0.1 . 1 . . . A 251 PRO C . 17599 1 1481 . 1 1 124 124 PRO CA C 13 62.783 0.1 . 1 . . . A 251 PRO CA . 17599 1 1482 . 1 1 124 124 PRO CB C 13 33.127 0.1 . 1 . . . A 251 PRO CB . 17599 1 1483 . 1 1 124 124 PRO CG C 13 27.624 0.1 . 1 . . . A 251 PRO CG . 17599 1 1484 . 1 1 124 124 PRO CD C 13 52.200 0.1 . 1 . . . A 251 PRO CD . 17599 1 1485 . 1 1 125 125 ALA H H 1 9.487 0.02 . 1 . . . . 252 ALA H . 17599 1 1486 . 1 1 125 125 ALA HA H 1 4.236 0.02 . 1 . . . A 252 ALA HA . 17599 1 1487 . 1 1 125 125 ALA HB1 H 1 1.423 0.02 . 1 . . . . 252 ALA QB . 17599 1 1488 . 1 1 125 125 ALA HB2 H 1 1.423 0.02 . 1 . . . . 252 ALA QB . 17599 1 1489 . 1 1 125 125 ALA HB3 H 1 1.423 0.02 . 1 . . . . 252 ALA QB . 17599 1 1490 . 1 1 125 125 ALA C C 13 178.548 0.1 . 1 . . . A 252 ALA C . 17599 1 1491 . 1 1 125 125 ALA CA C 13 53.690 0.1 . 1 . . . A 252 ALA CA . 17599 1 1492 . 1 1 125 125 ALA CB C 13 19.196 0.1 . 1 . . . A 252 ALA CB . 17599 1 1493 . 1 1 125 125 ALA N N 15 126.466 0.1 . 1 . . . A 252 ALA N . 17599 1 1494 . 1 1 126 126 ASN H H 1 8.528 0.02 . 1 . . . . 253 ASN H . 17599 1 1495 . 1 1 126 126 ASN HA H 1 4.706 0.02 . 1 . . . A 253 ASN HA . 17599 1 1496 . 1 1 126 126 ASN HB2 H 1 2.803 0.02 . 1 . . . . 253 ASN HB2 . 17599 1 1497 . 1 1 126 126 ASN HB3 H 1 2.803 0.02 . 1 . . . . 253 ASN HB3 . 17599 1 1498 . 1 1 126 126 ASN HD21 H 1 7.598 0.02 . 2 . . . . 253 ASN HD21 . 17599 1 1499 . 1 1 126 126 ASN HD22 H 1 6.884 0.02 . 2 . . . . 253 ASN HD22 . 17599 1 1500 . 1 1 126 126 ASN C C 13 174.946 0.1 . 1 . . . A 253 ASN C . 17599 1 1501 . 1 1 126 126 ASN CA C 13 53.310 0.1 . 1 . . . A 253 ASN CA . 17599 1 1502 . 1 1 126 126 ASN CB C 13 38.889 0.1 . 1 . . . A 253 ASN CB . 17599 1 1503 . 1 1 126 126 ASN N N 15 116.048 0.1 . 1 . . . A 253 ASN N . 17599 1 1504 . 1 1 126 126 ASN ND2 N 15 112.960 0.1 . 1 . . . A 253 ASN ND2 . 17599 1 1505 . 1 1 127 127 GLN H H 1 8.276 0.02 . 1 . . . . 254 GLN H . 17599 1 1506 . 1 1 127 127 GLN HA H 1 4.335 0.02 . 1 . . . A 254 GLN HA . 17599 1 1507 . 1 1 127 127 GLN HB2 H 1 2.177 0.02 . 2 . . . . 254 GLN HB2 . 17599 1 1508 . 1 1 127 127 GLN HB3 H 1 1.952 0.02 . 2 . . . . 254 GLN HB3 . 17599 1 1509 . 1 1 127 127 GLN HG2 H 1 2.373 0.02 . 2 . . . . 254 GLN HG2 . 17599 1 1510 . 1 1 127 127 GLN HG3 H 1 2.191 0.02 . 2 . . . . 254 GLN HG3 . 17599 1 1511 . 1 1 127 127 GLN HE21 H 1 7.628 0.02 . 2 . . . . 254 GLN HE21 . 17599 1 1512 . 1 1 127 127 GLN HE22 H 1 6.961 0.02 . 2 . . . . 254 GLN HE22 . 17599 1 1513 . 1 1 127 127 GLN C C 13 175.089 0.1 . 1 . . . A 254 GLN C . 17599 1 1514 . 1 1 127 127 GLN CA C 13 56.270 0.1 . 1 . . . A 254 GLN CA . 17599 1 1515 . 1 1 127 127 GLN CB C 13 29.890 0.1 . 1 . . . A 254 GLN CB . 17599 1 1516 . 1 1 127 127 GLN CG C 13 34.150 0.1 . 1 . . . A 254 GLN CG . 17599 1 1517 . 1 1 127 127 GLN N N 15 120.880 0.1 . 1 . . . A 254 GLN N . 17599 1 1518 . 1 1 127 127 GLN NE2 N 15 112.960 0.1 . 1 . . . A 254 GLN NE2 . 17599 1 1519 . 1 1 128 128 ARG H H 1 7.976 0.02 . 1 . . . . 255 ARG H . 17599 1 1520 . 1 1 128 128 ARG C C 13 181.057 0.1 . 1 . . . A 255 ARG C . 17599 1 1521 . 1 1 128 128 ARG N N 15 127.618 0.1 . 1 . . . A 255 ARG N . 17599 1 stop_ save_