data_18717 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 18717 _Entry.Title ; Structure of C-terminal domain of Ska1 ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2012-09-14 _Entry.Accession_date 2012-09-14 _Entry.Last_release_date . _Entry.Original_release_date . _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 'NMR, 20 STRUCTURES' _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 Andras Boeszoermenyi . . . 18717 2 Jens Schmidt . C. . 18717 3 Michelle Markus . . . 18717 4 Monika Oberer . . . 18717 5 Iain Cheeseman . M. . 18717 6 Gerhard Wagner . . . 18717 7 Haribabu Arthanari . . . 18717 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' . 18717 stop_ loop_ _Struct_keywords.Keywords _Struct_keywords.Text _Struct_keywords.Entry_ID kinetochore . 18717 microtubule . 18717 Ska1 . 18717 Ska1-MTBD . 18717 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 18717 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 1072 18717 '15N chemical shifts' 236 18717 '1H chemical shifts' 1532 18717 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 4 . . 2014-12-02 2012-09-14 update BMRB 'update chemical shifts' 18717 3 . . 2013-06-12 2012-09-14 update author 'update author sequence' 18717 2 . . 2013-02-18 2012-09-14 update BMRB 'update entry citation' 18717 1 . . 2012-10-22 2012-09-14 original author 'original release' 18717 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 2LYC 'BMRB Entry Tracking System' 18717 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 18717 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 23085020 _Citation.Full_citation . _Citation.Title 'The kinetochore-bound Ska1 complex tracks depolymerizing microtubules and binds to curved protofilaments.' _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'Dev. Cell' _Citation.Journal_name_full 'Developmental cell' _Citation.Journal_volume 23 _Citation.Journal_issue 5 _Citation.Journal_ASTM . _Citation.Journal_ISSN . _Citation.Journal_CSD . _Citation.Book_title . _Citation.Book_chapter_title . _Citation.Book_volume . _Citation.Book_series . _Citation.Book_publisher . _Citation.Book_publisher_city . _Citation.Book_ISBN . _Citation.Conference_title . _Citation.Conference_site . _Citation.Conference_state_province . _Citation.Conference_country . _Citation.Conference_start_date . _Citation.Conference_end_date . _Citation.Conference_abstract_number . _Citation.Thesis_institution . _Citation.Thesis_institution_city . _Citation.Thesis_institution_country . _Citation.WWW_URL . _Citation.Page_first 968 _Citation.Page_last 980 _Citation.Year 2012 _Citation.Details . loop_ _Citation_author.Ordinal _Citation_author.Given_name _Citation_author.Family_name _Citation_author.First_initial _Citation_author.Middle_initials _Citation_author.Family_title _Citation_author.Entry_ID _Citation_author.Citation_ID 1 Jens Schmidt . C. . 18717 1 2 Haribabu Arthanari . . . 18717 1 3 Andras Boeszoermenyi . . . 18717 1 4 Natalia Dashkevich . M. . 18717 1 5 Elizabeth Wilson-Kubalek . M. . 18717 1 6 Nilah Monnier . . . 18717 1 7 Michelle Markus . . . 18717 1 8 Monika Oberer . . . 18717 1 9 Ron Milligan . A. . 18717 1 10 Mark Bathe . . . 18717 1 11 Gerhard Wagner . . . 18717 1 12 Ekaterina Grishchuk . L. . 18717 1 13 Iain Cheeseman . M. . 18717 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 18717 _Assembly.ID 1 _Assembly.Name Ska1-MTBD _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 Ska1-MTBD 1 $Ska1-MTBD A . yes native no no . . . 18717 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_Ska1-MTBD _Entity.Sf_category entity _Entity.Sf_framecode Ska1-MTBD _Entity.Entry_ID 18717 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name Ska1-MTBD _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 ; MNDIRIVPQITDEEFKTIPK YQLGRLTLEMMNEIVSKMDD FLMKKSKILGKTNKQLTRSD REVLDNWRELEMKARKRLPT TLFFIETDIRPMLQDRLRPS FAKAIPCLRHIRRIREERCG PLTFYYPGSS ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states no _Entity.Ambiguous_chem_comp_sites no _Entity.Nstd_monomer no _Entity.Nstd_chirality no _Entity.Nstd_linkage no _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 130 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'all free' _Entity.Src_method man _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 15576.451 _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 PDB 2LYC . "Structure Of C-Terminal Domain Of Ska1" . . . . . 100.00 130 100.00 100.00 1.60e-88 . . . . 18717 1 2 no EMBL CAA21578 . "Spindle and kinetochore-associated protein 1 [Caenorhabditis elegans]" . . . . . 96.92 243 100.00 100.00 4.90e-85 . . . . 18717 1 3 no REF NP_492739 . "Spindle and kinetochore-associated protein 1 [Caenorhabditis elegans]" . . . . . 96.92 243 100.00 100.00 4.90e-85 . . . . 18717 1 4 no SP Q9XWS0 . "RecName: Full=Spindle and kinetochore-associated protein 1" . . . . . 96.92 243 100.00 100.00 4.90e-85 . . . . 18717 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 1 117 MET . 18717 1 2 118 ASN . 18717 1 3 119 ASP . 18717 1 4 120 ILE . 18717 1 5 121 ARG . 18717 1 6 122 ILE . 18717 1 7 123 VAL . 18717 1 8 124 PRO . 18717 1 9 125 GLN . 18717 1 10 126 ILE . 18717 1 11 127 THR . 18717 1 12 128 ASP . 18717 1 13 129 GLU . 18717 1 14 130 GLU . 18717 1 15 131 PHE . 18717 1 16 132 LYS . 18717 1 17 133 THR . 18717 1 18 134 ILE . 18717 1 19 135 PRO . 18717 1 20 136 LYS . 18717 1 21 137 TYR . 18717 1 22 138 GLN . 18717 1 23 139 LEU . 18717 1 24 140 GLY . 18717 1 25 141 ARG . 18717 1 26 142 LEU . 18717 1 27 143 THR . 18717 1 28 144 LEU . 18717 1 29 145 GLU . 18717 1 30 146 MET . 18717 1 31 147 MET . 18717 1 32 148 ASN . 18717 1 33 149 GLU . 18717 1 34 150 ILE . 18717 1 35 151 VAL . 18717 1 36 152 SER . 18717 1 37 153 LYS . 18717 1 38 154 MET . 18717 1 39 155 ASP . 18717 1 40 156 ASP . 18717 1 41 157 PHE . 18717 1 42 158 LEU . 18717 1 43 159 MET . 18717 1 44 160 LYS . 18717 1 45 161 LYS . 18717 1 46 162 SER . 18717 1 47 163 LYS . 18717 1 48 164 ILE . 18717 1 49 165 LEU . 18717 1 50 166 GLY . 18717 1 51 167 LYS . 18717 1 52 168 THR . 18717 1 53 169 ASN . 18717 1 54 170 LYS . 18717 1 55 171 GLN . 18717 1 56 172 LEU . 18717 1 57 173 THR . 18717 1 58 174 ARG . 18717 1 59 175 SER . 18717 1 60 176 ASP . 18717 1 61 177 ARG . 18717 1 62 178 GLU . 18717 1 63 179 VAL . 18717 1 64 180 LEU . 18717 1 65 181 ASP . 18717 1 66 182 ASN . 18717 1 67 183 TRP . 18717 1 68 184 ARG . 18717 1 69 185 GLU . 18717 1 70 186 LEU . 18717 1 71 187 GLU . 18717 1 72 188 MET . 18717 1 73 189 LYS . 18717 1 74 190 ALA . 18717 1 75 191 ARG . 18717 1 76 192 LYS . 18717 1 77 193 ARG . 18717 1 78 194 LEU . 18717 1 79 195 PRO . 18717 1 80 196 THR . 18717 1 81 197 THR . 18717 1 82 198 LEU . 18717 1 83 199 PHE . 18717 1 84 200 PHE . 18717 1 85 201 ILE . 18717 1 86 202 GLU . 18717 1 87 203 THR . 18717 1 88 204 ASP . 18717 1 89 205 ILE . 18717 1 90 206 ARG . 18717 1 91 207 PRO . 18717 1 92 208 MET . 18717 1 93 209 LEU . 18717 1 94 210 GLN . 18717 1 95 211 ASP . 18717 1 96 212 ARG . 18717 1 97 213 LEU . 18717 1 98 214 ARG . 18717 1 99 215 PRO . 18717 1 100 216 SER . 18717 1 101 217 PHE . 18717 1 102 218 ALA . 18717 1 103 219 LYS . 18717 1 104 220 ALA . 18717 1 105 221 ILE . 18717 1 106 222 PRO . 18717 1 107 223 CYS . 18717 1 108 224 LEU . 18717 1 109 225 ARG . 18717 1 110 226 HIS . 18717 1 111 227 ILE . 18717 1 112 228 ARG . 18717 1 113 229 ARG . 18717 1 114 230 ILE . 18717 1 115 231 ARG . 18717 1 116 232 GLU . 18717 1 117 233 GLU . 18717 1 118 234 ARG . 18717 1 119 235 CYS . 18717 1 120 236 GLY . 18717 1 121 237 PRO . 18717 1 122 238 LEU . 18717 1 123 239 THR . 18717 1 124 240 PHE . 18717 1 125 241 TYR . 18717 1 126 242 TYR . 18717 1 127 243 PRO . 18717 1 128 244 GLY . 18717 1 129 245 SER . 18717 1 130 246 SER . 18717 1 stop_ loop_ _Entity_poly_seq.Hetero _Entity_poly_seq.Mon_ID _Entity_poly_seq.Num _Entity_poly_seq.Comp_index_ID _Entity_poly_seq.Entry_ID _Entity_poly_seq.Entity_ID . MET 1 1 18717 1 . ASN 2 2 18717 1 . ASP 3 3 18717 1 . ILE 4 4 18717 1 . ARG 5 5 18717 1 . ILE 6 6 18717 1 . VAL 7 7 18717 1 . PRO 8 8 18717 1 . GLN 9 9 18717 1 . ILE 10 10 18717 1 . THR 11 11 18717 1 . ASP 12 12 18717 1 . GLU 13 13 18717 1 . GLU 14 14 18717 1 . PHE 15 15 18717 1 . LYS 16 16 18717 1 . THR 17 17 18717 1 . ILE 18 18 18717 1 . PRO 19 19 18717 1 . LYS 20 20 18717 1 . TYR 21 21 18717 1 . GLN 22 22 18717 1 . LEU 23 23 18717 1 . GLY 24 24 18717 1 . ARG 25 25 18717 1 . LEU 26 26 18717 1 . THR 27 27 18717 1 . LEU 28 28 18717 1 . GLU 29 29 18717 1 . MET 30 30 18717 1 . MET 31 31 18717 1 . ASN 32 32 18717 1 . GLU 33 33 18717 1 . ILE 34 34 18717 1 . VAL 35 35 18717 1 . SER 36 36 18717 1 . LYS 37 37 18717 1 . MET 38 38 18717 1 . ASP 39 39 18717 1 . ASP 40 40 18717 1 . PHE 41 41 18717 1 . LEU 42 42 18717 1 . MET 43 43 18717 1 . LYS 44 44 18717 1 . LYS 45 45 18717 1 . SER 46 46 18717 1 . LYS 47 47 18717 1 . ILE 48 48 18717 1 . LEU 49 49 18717 1 . GLY 50 50 18717 1 . LYS 51 51 18717 1 . THR 52 52 18717 1 . ASN 53 53 18717 1 . LYS 54 54 18717 1 . GLN 55 55 18717 1 . LEU 56 56 18717 1 . THR 57 57 18717 1 . ARG 58 58 18717 1 . SER 59 59 18717 1 . ASP 60 60 18717 1 . ARG 61 61 18717 1 . GLU 62 62 18717 1 . VAL 63 63 18717 1 . LEU 64 64 18717 1 . ASP 65 65 18717 1 . ASN 66 66 18717 1 . TRP 67 67 18717 1 . ARG 68 68 18717 1 . GLU 69 69 18717 1 . LEU 70 70 18717 1 . GLU 71 71 18717 1 . MET 72 72 18717 1 . LYS 73 73 18717 1 . ALA 74 74 18717 1 . ARG 75 75 18717 1 . LYS 76 76 18717 1 . ARG 77 77 18717 1 . LEU 78 78 18717 1 . PRO 79 79 18717 1 . THR 80 80 18717 1 . THR 81 81 18717 1 . LEU 82 82 18717 1 . PHE 83 83 18717 1 . PHE 84 84 18717 1 . ILE 85 85 18717 1 . GLU 86 86 18717 1 . THR 87 87 18717 1 . ASP 88 88 18717 1 . ILE 89 89 18717 1 . ARG 90 90 18717 1 . PRO 91 91 18717 1 . MET 92 92 18717 1 . LEU 93 93 18717 1 . GLN 94 94 18717 1 . ASP 95 95 18717 1 . ARG 96 96 18717 1 . LEU 97 97 18717 1 . ARG 98 98 18717 1 . PRO 99 99 18717 1 . SER 100 100 18717 1 . PHE 101 101 18717 1 . ALA 102 102 18717 1 . LYS 103 103 18717 1 . ALA 104 104 18717 1 . ILE 105 105 18717 1 . PRO 106 106 18717 1 . CYS 107 107 18717 1 . LEU 108 108 18717 1 . ARG 109 109 18717 1 . HIS 110 110 18717 1 . ILE 111 111 18717 1 . ARG 112 112 18717 1 . ARG 113 113 18717 1 . ILE 114 114 18717 1 . ARG 115 115 18717 1 . GLU 116 116 18717 1 . GLU 117 117 18717 1 . ARG 118 118 18717 1 . CYS 119 119 18717 1 . GLY 120 120 18717 1 . PRO 121 121 18717 1 . LEU 122 122 18717 1 . THR 123 123 18717 1 . PHE 124 124 18717 1 . TYR 125 125 18717 1 . TYR 126 126 18717 1 . PRO 127 127 18717 1 . GLY 128 128 18717 1 . SER 129 129 18717 1 . SER 130 130 18717 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 18717 _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 $Ska1-MTBD . 6239 organism . 'Caenorhabditis elegans' Nematodes . . Eukaryota Metazoa Caenorhabditis elegans . . . . . . . . . . . . . . . . . . . . . 18717 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 18717 _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 $Ska1-MTBD . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli . . . . . . . . . . . . . . . . pET3aTr . . . . . . 18717 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_3 _Sample.Sf_category sample _Sample.Sf_framecode sample_3 _Sample.Entry_ID 18717 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '100% 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 Ska1-MTBD '[U-100% 15N ILV-Methyl 13C]' . . 1 $Ska1-MTBD . . 0.800 . . mM . . . . 18717 1 2 'potassium phosphate' 'natural abundance' . . . . . . 20 . . mM . . . . 18717 1 3 NaCl 'natural abundance' . . . . . . 150 . . mM . . . . 18717 1 4 DTT 'natural abundance' . . . . . . 1.5 . . mM . . . . 18717 1 5 H2O 'natural abundance' . . . . . . 55 . . mM . . . . 18717 1 6 'sodium azide' 'natural abundance' . . . . . . 0.0001 . . mM . . . . 18717 1 7 D2O 'natural abundance' . . . . . . 100 . . % . . . . 18717 1 stop_ save_ save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 18717 _Sample.ID 2 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '95% H2O/5% 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 Ska1-MTBD '[U-100% 13C; U-100% 15N]' . . 1 $Ska1-MTBD . . 0.800 . . mM . . . . 18717 2 2 'potassium phosphate' 'natural abundance' . . . . . . 20 . . mM . . . . 18717 2 3 NaCl 'natural abundance' . . . . . . 150 . . mM . . . . 18717 2 4 DTT 'natural abundance' . . . . . . 1.5 . . mM . . . . 18717 2 5 H2O 'natural abundance' . . . . . . 55 . . mM . . . . 18717 2 6 'sodium azide' 'natural abundance' . . . . . . 0.00001 . . mM . . . . 18717 2 7 H2O 'natural abundance' . . . . . . 95 . . % . . . . 18717 2 8 D2O 'natural abundance' . . . . . . 5 . . % . . . . 18717 2 stop_ save_ save_sample_2 _Sample.Sf_category sample _Sample.Sf_framecode sample_2 _Sample.Entry_ID 18717 _Sample.ID 3 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '95% H2O/5% 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 Ska1-MTBD '[U-100% 15N; ILV-Methyl 13C]' . . 1 $Ska1-MTBD . . 0.800 . . mM . . . . 18717 3 2 'potassium phosphate' 'natural abundance' . . . . . . 20 . . mM . . . . 18717 3 3 NaCl 'natural abundance' . . . . . . 150 . . mM . . . . 18717 3 4 DTT 'natural abundance' . . . . . . 1.5 . . mM . . . . 18717 3 5 H2O 'natural abundance' . . . . . . 55 . . mM . . . . 18717 3 6 'sodium azide' 'natural abundance' . . . . . . 0.00001 . . mM . . . . 18717 3 7 H2O 'natural abundance' . . . . . . 95 . . % . . . . 18717 3 8 D2O 'natural abundance' . . . . . . 5 . . % . . . . 18717 3 stop_ save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode sample_conditions_1 _Sample_condition_list.Entry_ID 18717 _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' 0.150 . M 18717 1 pH 6.5 . pH 18717 1 pressure 1 . atm 18717 1 temperature 298 . K 18717 1 stop_ save_ ############################ # Computer software used # ############################ save_CYANA _Software.Sf_category software _Software.Sf_framecode CYANA _Software.Entry_ID 18717 _Software.ID 1 _Software.Name CYANA _Software.Version 3.0 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Guntert, Mumenthaler and Wuthrich' . . 18717 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID refinement 18717 1 stop_ save_ save_NMRPipe _Software.Sf_category software _Software.Sf_framecode NMRPipe _Software.Entry_ID 18717 _Software.ID 2 _Software.Name NMRPipe _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax' . . 18717 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID processing 18717 2 stop_ save_ save_CCPNMR _Software.Sf_category software _Software.Sf_framecode CCPNMR _Software.Entry_ID 18717 _Software.ID 3 _Software.Name CcpNMR _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID CCPN . . 18717 3 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' 18717 3 stop_ save_ save_ProcheckNMR _Software.Sf_category software _Software.Sf_framecode ProcheckNMR _Software.Entry_ID 18717 _Software.ID 4 _Software.Name ProcheckNMR _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Laskowski and MacArthur' . . 18717 4 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID validation 18717 4 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 18717 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Varian _NMR_spectrometer.Model INOVA _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 500 save_ save_spectrometer_2 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_2 _NMR_spectrometer.Entry_ID 18717 _NMR_spectrometer.ID 2 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Varian _NMR_spectrometer.Model INOVA _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ save_spectrometer_3 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_3 _NMR_spectrometer.Entry_ID 18717 _NMR_spectrometer.ID 3 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 750 save_ save_spectrometer_4 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_4 _NMR_spectrometer.Entry_ID 18717 _NMR_spectrometer.ID 4 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 900 save_ save_NMR_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode NMR_spectrometer_list _NMR_spectrometer_list.Entry_ID 18717 _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 Varian INOVA . 500 . . . 18717 1 2 spectrometer_2 Varian INOVA . 600 . . . 18717 1 3 spectrometer_3 Bruker Avance . 750 . . . 18717 1 4 spectrometer_4 Bruker Avance . 900 . . . 18717 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 18717 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NMR_spec_expt_ID _Experiment.NMR_spec_expt_label _Experiment.MS_expt_ID _Experiment.MS_expt_label _Experiment.SAXS_expt_ID _Experiment.SAXS_expt_label _Experiment.FRET_expt_ID _Experiment.FRET_expt_label _Experiment.EMR_expt_ID _Experiment.EMR_expt_label _Experiment.Sample_ID _Experiment.Sample_label _Experiment.Sample_state _Experiment.Sample_volume _Experiment.Sample_volume_units _Experiment.Sample_condition_list_ID _Experiment.Sample_condition_list_label _Experiment.Sample_spinning_rate _Experiment.Sample_angle _Experiment.NMR_tube_type _Experiment.NMR_spectrometer_ID _Experiment.NMR_spectrometer_label _Experiment.NMR_spectrometer_probe_ID _Experiment.NMR_spectrometer_probe_label _Experiment.NMR_spectral_processing_ID _Experiment.NMR_spectral_processing_label _Experiment.Mass_spectrometer_ID _Experiment.Mass_spectrometer_label _Experiment.Xray_instrument_ID _Experiment.Xray_instrument_label _Experiment.Fluorescence_instrument_ID _Experiment.Fluorescence_instrument_label _Experiment.EMR_instrument_ID _Experiment.EMR_instrument_label _Experiment.Chromatographic_system_ID _Experiment.Chromatographic_system_label _Experiment.Chromatographic_column_ID _Experiment.Chromatographic_column_label _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 '2D 1H-15N HSQC' no . . . . . . . . . . 2 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 18717 1 2 '2D 1H-13C HSQC' no . . . . . . . . . . 2 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 18717 1 3 '3D HNCO' no . . . . . . . . . . 2 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 18717 1 4 '3D HNCA' no . . . . . . . . . . 2 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 18717 1 5 '3D HNCACB' no . . . . . . . . . . 2 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 18717 1 6 '3D HN(CO)CA' no . . . . . . . . . . 2 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 18717 1 7 '3D HCACO' no . . . . . . . . . . 2 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 18717 1 8 '3D 1H-15N NOESY' no . . . . . . . . . . 2 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 18717 1 9 '3D time shared 13C-15N NOESY' no . . . . . . . . . . 3 $sample_2 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 18717 1 10 '4D HMQC-NOESY-HMQC' no . . . . . . . . . . 1 $sample_3 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 18717 1 11 2D-HBCBCGCDHD no . . . . . . . . . . 2 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 18717 1 12 2D-HBCBCGCDCEHE no . . . . . . . . . . 2 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 18717 1 13 '3D C(CO)NH' no . . . . . . . . . . 2 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 18717 1 14 '3D H(CCO)NH' no . . . . . . . . . . 2 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 18717 1 15 '3D HCCH-TOCSY' no . . . . . . . . . . 2 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 18717 1 stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference_1 _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chemical_shift_reference_1 _Chem_shift_reference.Entry_ID 18717 _Chem_shift_reference.ID 1 _Chem_shift_reference.Details . loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Indirect_shift_ratio_cit_ID _Chem_shift_ref.Indirect_shift_ratio_cit_label _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Correction_val_cit_ID _Chem_shift_ref.Correction_val_cit_label _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C 13 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.251449530 . . . . . . . . . 18717 1 H 1 DSS 'methyl protons' . . . . ppm 0.00 internal direct 1.000000000 . . . . . . . . . 18717 1 N 15 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.101329118 . . . . . . . . . 18717 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 18717 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 1 '2D 1H-15N HSQC' . . . 18717 1 2 '2D 1H-13C HSQC' . . . 18717 1 3 '3D HNCO' . . . 18717 1 4 '3D HNCA' . . . 18717 1 5 '3D HNCACB' . . . 18717 1 6 '3D HN(CO)CA' . . . 18717 1 7 '3D HCACO' . . . 18717 1 11 2D-HBCBCGCDHD . . . 18717 1 13 '3D C(CO)NH' . . . 18717 1 14 '3D H(CCO)NH' . . . 18717 1 15 '3D HCCH-TOCSY' . . . 18717 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 1 2 2 ASN C C 13 174.295 0.000 . 1 . . . A 118 ASN C . 18717 1 2 . 1 1 2 2 ASN CA C 13 53.038 0.000 . 1 . . . A 118 ASN CA . 18717 1 3 . 1 1 2 2 ASN CB C 13 38.651 0.000 . 1 . . . A 118 ASN CB . 18717 1 4 . 1 1 3 3 ASP H H 1 8.330 0.004 . 1 . . . A 119 ASP H . 18717 1 5 . 1 1 3 3 ASP HA H 1 4.487 0.000 . 1 . . . A 119 ASP HA . 18717 1 6 . 1 1 3 3 ASP HB2 H 1 2.446 0.000 . 2 . . . A 119 ASP HB2 . 18717 1 7 . 1 1 3 3 ASP HB3 H 1 2.564 0.000 . 2 . . . A 119 ASP HB3 . 18717 1 8 . 1 1 3 3 ASP C C 13 175.666 0.002 . 1 . . . A 119 ASP C . 18717 1 9 . 1 1 3 3 ASP CA C 13 54.131 0.020 . 1 . . . A 119 ASP CA . 18717 1 10 . 1 1 3 3 ASP CB C 13 40.887 0.062 . 1 . . . A 119 ASP CB . 18717 1 11 . 1 1 3 3 ASP N N 15 120.758 0.002 . 1 . . . A 119 ASP N . 18717 1 12 . 1 1 4 4 ILE H H 1 7.973 0.003 . 1 . . . A 120 ILE H . 18717 1 13 . 1 1 4 4 ILE HA H 1 4.048 0.002 . 1 . . . A 120 ILE HA . 18717 1 14 . 1 1 4 4 ILE HB H 1 1.728 0.004 . 1 . . . A 120 ILE HB . 18717 1 15 . 1 1 4 4 ILE HG12 H 1 1.328 0.000 . 2 . . . A 120 ILE HG12 . 18717 1 16 . 1 1 4 4 ILE HG13 H 1 1.038 0.004 . 2 . . . A 120 ILE HG13 . 18717 1 17 . 1 1 4 4 ILE HG21 H 1 0.761 0.001 . 1 . . . A 120 ILE HG21 . 18717 1 18 . 1 1 4 4 ILE HG22 H 1 0.761 0.001 . 1 . . . A 120 ILE HG22 . 18717 1 19 . 1 1 4 4 ILE HG23 H 1 0.761 0.001 . 1 . . . A 120 ILE HG23 . 18717 1 20 . 1 1 4 4 ILE HD11 H 1 0.698 0.006 . 1 . . . A 120 ILE HD11 . 18717 1 21 . 1 1 4 4 ILE HD12 H 1 0.698 0.006 . 1 . . . A 120 ILE HD12 . 18717 1 22 . 1 1 4 4 ILE HD13 H 1 0.698 0.006 . 1 . . . A 120 ILE HD13 . 18717 1 23 . 1 1 4 4 ILE C C 13 175.667 0.001 . 1 . . . A 120 ILE C . 18717 1 24 . 1 1 4 4 ILE CA C 13 60.723 0.000 . 1 . . . A 120 ILE CA . 18717 1 25 . 1 1 4 4 ILE CB C 13 38.460 0.019 . 1 . . . A 120 ILE CB . 18717 1 26 . 1 1 4 4 ILE CG1 C 13 26.760 0.000 . 1 . . . A 120 ILE CG1 . 18717 1 27 . 1 1 4 4 ILE CG2 C 13 17.197 0.000 . 1 . . . A 120 ILE CG2 . 18717 1 28 . 1 1 4 4 ILE CD1 C 13 12.537 0.121 . 1 . . . A 120 ILE CD1 . 18717 1 29 . 1 1 4 4 ILE N N 15 121.146 0.004 . 1 . . . A 120 ILE N . 18717 1 30 . 1 1 5 5 ARG H H 1 8.074 0.008 . 1 . . . A 121 ARG H . 18717 1 31 . 1 1 5 5 ARG HA H 1 4.471 0.004 . 1 . . . A 121 ARG HA . 18717 1 32 . 1 1 5 5 ARG HB2 H 1 1.715 0.000 . 2 . . . A 121 ARG HB2 . 18717 1 33 . 1 1 5 5 ARG HB3 H 1 1.719 0.000 . 2 . . . A 121 ARG HB3 . 18717 1 34 . 1 1 5 5 ARG HG2 H 1 1.593 0.000 . 2 . . . A 121 ARG HG2 . 18717 1 35 . 1 1 5 5 ARG HG3 H 1 1.431 0.007 . 2 . . . A 121 ARG HG3 . 18717 1 36 . 1 1 5 5 ARG HD2 H 1 3.162 0.000 . 2 . . . A 121 ARG HD2 . 18717 1 37 . 1 1 5 5 ARG HD3 H 1 3.068 0.001 . 2 . . . A 121 ARG HD3 . 18717 1 38 . 1 1 5 5 ARG C C 13 175.716 0.000 . 1 . . . A 121 ARG C . 18717 1 39 . 1 1 5 5 ARG CA C 13 54.419 0.004 . 1 . . . A 121 ARG CA . 18717 1 40 . 1 1 5 5 ARG CB C 13 30.142 0.000 . 1 . . . A 121 ARG CB . 18717 1 41 . 1 1 5 5 ARG CG C 13 26.209 0.000 . 1 . . . A 121 ARG CG . 18717 1 42 . 1 1 5 5 ARG CD C 13 42.246 0.000 . 1 . . . A 121 ARG CD . 18717 1 43 . 1 1 5 5 ARG N N 15 123.642 0.051 . 1 . . . A 121 ARG N . 18717 1 44 . 1 1 6 6 ILE H H 1 9.079 0.006 . 1 . . . A 122 ILE H . 18717 1 45 . 1 1 6 6 ILE HA H 1 3.799 0.012 . 1 . . . A 122 ILE HA . 18717 1 46 . 1 1 6 6 ILE HB H 1 1.748 0.007 . 1 . . . A 122 ILE HB . 18717 1 47 . 1 1 6 6 ILE HG12 H 1 1.498 0.000 . 2 . . . A 122 ILE HG12 . 18717 1 48 . 1 1 6 6 ILE HG13 H 1 1.497 0.000 . 2 . . . A 122 ILE HG13 . 18717 1 49 . 1 1 6 6 ILE HG21 H 1 0.834 0.000 . 1 . . . A 122 ILE HG21 . 18717 1 50 . 1 1 6 6 ILE HG22 H 1 0.834 0.000 . 1 . . . A 122 ILE HG22 . 18717 1 51 . 1 1 6 6 ILE HG23 H 1 0.834 0.000 . 1 . . . A 122 ILE HG23 . 18717 1 52 . 1 1 6 6 ILE HD11 H 1 0.610 0.009 . 1 . . . A 122 ILE HD11 . 18717 1 53 . 1 1 6 6 ILE HD12 H 1 0.610 0.009 . 1 . . . A 122 ILE HD12 . 18717 1 54 . 1 1 6 6 ILE HD13 H 1 0.610 0.009 . 1 . . . A 122 ILE HD13 . 18717 1 55 . 1 1 6 6 ILE C C 13 177.295 0.000 . 1 . . . A 122 ILE C . 18717 1 56 . 1 1 6 6 ILE CA C 13 63.441 0.018 . 1 . . . A 122 ILE CA . 18717 1 57 . 1 1 6 6 ILE CB C 13 38.184 0.015 . 1 . . . A 122 ILE CB . 18717 1 58 . 1 1 6 6 ILE CG1 C 13 28.208 0.000 . 1 . . . A 122 ILE CG1 . 18717 1 59 . 1 1 6 6 ILE CG2 C 13 18.942 0.000 . 1 . . . A 122 ILE CG2 . 18717 1 60 . 1 1 6 6 ILE CD1 C 13 12.899 0.094 . 1 . . . A 122 ILE CD1 . 18717 1 61 . 1 1 6 6 ILE N N 15 124.879 0.023 . 1 . . . A 122 ILE N . 18717 1 62 . 1 1 7 7 VAL H H 1 9.077 0.013 . 1 . . . A 123 VAL H . 18717 1 63 . 1 1 7 7 VAL HA H 1 4.091 0.000 . 1 . . . A 123 VAL HA . 18717 1 64 . 1 1 7 7 VAL HB H 1 2.138 0.000 . 1 . . . A 123 VAL HB . 18717 1 65 . 1 1 7 7 VAL HG11 H 1 0.837 0.000 . 1 . . . A 123 VAL HG11 . 18717 1 66 . 1 1 7 7 VAL HG12 H 1 0.837 0.000 . 1 . . . A 123 VAL HG12 . 18717 1 67 . 1 1 7 7 VAL HG13 H 1 0.837 0.000 . 1 . . . A 123 VAL HG13 . 18717 1 68 . 1 1 7 7 VAL HG21 H 1 0.767 0.008 . 1 . . . A 123 VAL HG21 . 18717 1 69 . 1 1 7 7 VAL HG22 H 1 0.767 0.008 . 1 . . . A 123 VAL HG22 . 18717 1 70 . 1 1 7 7 VAL HG23 H 1 0.767 0.008 . 1 . . . A 123 VAL HG23 . 18717 1 71 . 1 1 7 7 VAL C C 13 171.889 0.000 . 1 . . . A 123 VAL C . 18717 1 72 . 1 1 7 7 VAL CA C 13 58.665 0.021 . 1 . . . A 123 VAL CA . 18717 1 73 . 1 1 7 7 VAL CB C 13 31.692 0.000 . 1 . . . A 123 VAL CB . 18717 1 74 . 1 1 7 7 VAL CG2 C 13 20.453 0.024 . 1 . . . A 123 VAL CG2 . 18717 1 75 . 1 1 7 7 VAL N N 15 120.500 0.053 . 1 . . . A 123 VAL N . 18717 1 76 . 1 1 8 8 PRO HA H 1 4.050 0.001 . 1 . . . A 124 PRO HA . 18717 1 77 . 1 1 8 8 PRO HB3 H 1 2.239 0.000 . 1 . . . A 124 PRO HB3 . 18717 1 78 . 1 1 8 8 PRO HG2 H 1 1.775 0.000 . 2 . . . A 124 PRO HG2 . 18717 1 79 . 1 1 8 8 PRO HG3 H 1 1.694 0.000 . 2 . . . A 124 PRO HG3 . 18717 1 80 . 1 1 8 8 PRO HD2 H 1 2.878 0.000 . 2 . . . A 124 PRO HD2 . 18717 1 81 . 1 1 8 8 PRO HD3 H 1 2.951 0.000 . 2 . . . A 124 PRO HD3 . 18717 1 82 . 1 1 8 8 PRO C C 13 176.526 0.000 . 1 . . . A 124 PRO C . 18717 1 83 . 1 1 8 8 PRO CA C 13 62.509 0.000 . 1 . . . A 124 PRO CA . 18717 1 84 . 1 1 8 8 PRO CB C 13 32.637 0.000 . 1 . . . A 124 PRO CB . 18717 1 85 . 1 1 8 8 PRO CG C 13 26.934 0.000 . 1 . . . A 124 PRO CG . 18717 1 86 . 1 1 8 8 PRO CD C 13 50.695 0.000 . 1 . . . A 124 PRO CD . 18717 1 87 . 1 1 9 9 GLN H H 1 8.306 0.003 . 1 . . . A 125 GLN H . 18717 1 88 . 1 1 9 9 GLN HA H 1 3.860 0.002 . 1 . . . A 125 GLN HA . 18717 1 89 . 1 1 9 9 GLN HB2 H 1 1.797 0.000 . 2 . . . A 125 GLN HB2 . 18717 1 90 . 1 1 9 9 GLN HB3 H 1 1.699 0.000 . 2 . . . A 125 GLN HB3 . 18717 1 91 . 1 1 9 9 GLN HG2 H 1 2.340 0.000 . 2 . . . A 125 GLN HG2 . 18717 1 92 . 1 1 9 9 GLN HG3 H 1 2.135 0.000 . 2 . . . A 125 GLN HG3 . 18717 1 93 . 1 1 9 9 GLN C C 13 175.808 0.000 . 1 . . . A 125 GLN C . 18717 1 94 . 1 1 9 9 GLN CA C 13 55.899 0.002 . 1 . . . A 125 GLN CA . 18717 1 95 . 1 1 9 9 GLN CB C 13 29.822 0.000 . 1 . . . A 125 GLN CB . 18717 1 96 . 1 1 9 9 GLN CG C 13 33.641 0.000 . 1 . . . A 125 GLN CG . 18717 1 97 . 1 1 9 9 GLN N N 15 120.443 0.074 . 1 . . . A 125 GLN N . 18717 1 98 . 1 1 10 10 ILE H H 1 10.050 0.010 . 1 . . . A 126 ILE H . 18717 1 99 . 1 1 10 10 ILE HA H 1 4.050 0.000 . 1 . . . A 126 ILE HA . 18717 1 100 . 1 1 10 10 ILE HB H 1 1.980 0.000 . 1 . . . A 126 ILE HB . 18717 1 101 . 1 1 10 10 ILE HG12 H 1 1.750 0.000 . 2 . . . A 126 ILE HG12 . 18717 1 102 . 1 1 10 10 ILE HG13 H 1 1.465 0.002 . 2 . . . A 126 ILE HG13 . 18717 1 103 . 1 1 10 10 ILE HG21 H 1 0.768 0.001 . 1 . . . A 126 ILE HG21 . 18717 1 104 . 1 1 10 10 ILE HG22 H 1 0.768 0.001 . 1 . . . A 126 ILE HG22 . 18717 1 105 . 1 1 10 10 ILE HG23 H 1 0.768 0.001 . 1 . . . A 126 ILE HG23 . 18717 1 106 . 1 1 10 10 ILE HD11 H 1 0.647 0.008 . 1 . . . A 126 ILE HD11 . 18717 1 107 . 1 1 10 10 ILE HD12 H 1 0.647 0.008 . 1 . . . A 126 ILE HD12 . 18717 1 108 . 1 1 10 10 ILE HD13 H 1 0.647 0.008 . 1 . . . A 126 ILE HD13 . 18717 1 109 . 1 1 10 10 ILE C C 13 177.397 0.000 . 1 . . . A 126 ILE C . 18717 1 110 . 1 1 10 10 ILE CA C 13 60.287 0.059 . 1 . . . A 126 ILE CA . 18717 1 111 . 1 1 10 10 ILE CB C 13 37.150 0.000 . 1 . . . A 126 ILE CB . 18717 1 112 . 1 1 10 10 ILE CG1 C 13 27.367 0.000 . 1 . . . A 126 ILE CG1 . 18717 1 113 . 1 1 10 10 ILE CG2 C 13 18.001 0.000 . 1 . . . A 126 ILE CG2 . 18717 1 114 . 1 1 10 10 ILE CD1 C 13 13.355 0.076 . 1 . . . A 126 ILE CD1 . 18717 1 115 . 1 1 10 10 ILE N N 15 125.713 0.053 . 1 . . . A 126 ILE N . 18717 1 116 . 1 1 11 11 THR H H 1 8.674 0.014 . 1 . . . A 127 THR H . 18717 1 117 . 1 1 11 11 THR HA H 1 4.458 0.001 . 1 . . . A 127 THR HA . 18717 1 118 . 1 1 11 11 THR HB H 1 4.672 0.003 . 1 . . . A 127 THR HB . 18717 1 119 . 1 1 11 11 THR HG21 H 1 1.200 0.002 . 1 . . . A 127 THR HG21 . 18717 1 120 . 1 1 11 11 THR HG22 H 1 1.200 0.002 . 1 . . . A 127 THR HG22 . 18717 1 121 . 1 1 11 11 THR HG23 H 1 1.200 0.002 . 1 . . . A 127 THR HG23 . 18717 1 122 . 1 1 11 11 THR C C 13 175.359 0.002 . 1 . . . A 127 THR C . 18717 1 123 . 1 1 11 11 THR CA C 13 60.124 0.033 . 1 . . . A 127 THR CA . 18717 1 124 . 1 1 11 11 THR CB C 13 71.036 0.000 . 1 . . . A 127 THR CB . 18717 1 125 . 1 1 11 11 THR CG2 C 13 21.550 0.000 . 1 . . . A 127 THR CG2 . 18717 1 126 . 1 1 11 11 THR N N 15 118.976 0.001 . 1 . . . A 127 THR N . 18717 1 127 . 1 1 12 12 ASP H H 1 8.890 0.003 . 1 . . . A 128 ASP H . 18717 1 128 . 1 1 12 12 ASP HA H 1 4.233 0.000 . 1 . . . A 128 ASP HA . 18717 1 129 . 1 1 12 12 ASP HB3 H 1 2.536 0.001 . 1 . . . A 128 ASP HB3 . 18717 1 130 . 1 1 12 12 ASP C C 13 178.241 0.000 . 1 . . . A 128 ASP C . 18717 1 131 . 1 1 12 12 ASP CA C 13 57.791 0.000 . 1 . . . A 128 ASP CA . 18717 1 132 . 1 1 12 12 ASP CB C 13 40.845 0.000 . 1 . . . A 128 ASP CB . 18717 1 133 . 1 1 12 12 ASP N N 15 121.587 0.103 . 1 . . . A 128 ASP N . 18717 1 134 . 1 1 13 13 GLU H H 1 8.421 0.001 . 1 . . . A 129 GLU H . 18717 1 135 . 1 1 13 13 GLU HA H 1 3.848 0.002 . 1 . . . A 129 GLU HA . 18717 1 136 . 1 1 13 13 GLU HB2 H 1 1.963 0.000 . 2 . . . A 129 GLU HB2 . 18717 1 137 . 1 1 13 13 GLU HB3 H 1 1.882 0.001 . 2 . . . A 129 GLU HB3 . 18717 1 138 . 1 1 13 13 GLU HG3 H 1 2.250 0.000 . 1 . . . A 129 GLU HG3 . 18717 1 139 . 1 1 13 13 GLU C C 13 179.434 0.002 . 1 . . . A 129 GLU C . 18717 1 140 . 1 1 13 13 GLU CA C 13 59.683 0.000 . 1 . . . A 129 GLU CA . 18717 1 141 . 1 1 13 13 GLU CB C 13 29.155 0.000 . 1 . . . A 129 GLU CB . 18717 1 142 . 1 1 13 13 GLU CG C 13 36.271 0.000 . 1 . . . A 129 GLU CG . 18717 1 143 . 1 1 13 13 GLU N N 15 117.150 0.083 . 1 . . . A 129 GLU N . 18717 1 144 . 1 1 14 14 GLU H H 1 7.653 0.007 . 1 . . . A 130 GLU H . 18717 1 145 . 1 1 14 14 GLU HA H 1 3.977 0.000 . 1 . . . A 130 GLU HA . 18717 1 146 . 1 1 14 14 GLU HB3 H 1 1.736 0.000 . 1 . . . A 130 GLU HB3 . 18717 1 147 . 1 1 14 14 GLU HG2 H 1 2.387 0.002 . 2 . . . A 130 GLU HG2 . 18717 1 148 . 1 1 14 14 GLU HG3 H 1 2.147 0.000 . 2 . . . A 130 GLU HG3 . 18717 1 149 . 1 1 14 14 GLU C C 13 180.305 0.010 . 1 . . . A 130 GLU C . 18717 1 150 . 1 1 14 14 GLU CA C 13 58.493 0.004 . 1 . . . A 130 GLU CA . 18717 1 151 . 1 1 14 14 GLU CB C 13 31.415 0.000 . 1 . . . A 130 GLU CB . 18717 1 152 . 1 1 14 14 GLU CG C 13 37.008 0.000 . 1 . . . A 130 GLU CG . 18717 1 153 . 1 1 14 14 GLU N N 15 118.527 0.083 . 1 . . . A 130 GLU N . 18717 1 154 . 1 1 15 15 PHE H H 1 8.826 0.004 . 1 . . . A 131 PHE H . 18717 1 155 . 1 1 15 15 PHE HA H 1 3.844 0.002 . 1 . . . A 131 PHE HA . 18717 1 156 . 1 1 15 15 PHE HB2 H 1 3.250 0.007 . 2 . . . A 131 PHE HB2 . 18717 1 157 . 1 1 15 15 PHE HB3 H 1 3.105 0.006 . 2 . . . A 131 PHE HB3 . 18717 1 158 . 1 1 15 15 PHE HD1 H 1 6.971 0.008 . 3 . . . A 131 PHE HD1 . 18717 1 159 . 1 1 15 15 PHE HD2 H 1 6.971 0.008 . 3 . . . A 131 PHE HD2 . 18717 1 160 . 1 1 15 15 PHE HE1 H 1 7.032 0.005 . 3 . . . A 131 PHE HE1 . 18717 1 161 . 1 1 15 15 PHE HE2 H 1 7.032 0.005 . 3 . . . A 131 PHE HE2 . 18717 1 162 . 1 1 15 15 PHE C C 13 177.510 0.000 . 1 . . . A 131 PHE C . 18717 1 163 . 1 1 15 15 PHE CA C 13 61.006 0.001 . 1 . . . A 131 PHE CA . 18717 1 164 . 1 1 15 15 PHE CB C 13 40.101 0.004 . 1 . . . A 131 PHE CB . 18717 1 165 . 1 1 15 15 PHE CD1 C 13 132.695 0.000 . 3 . . . A 131 PHE CD1 . 18717 1 166 . 1 1 15 15 PHE CD2 C 13 132.695 0.000 . 3 . . . A 131 PHE CD2 . 18717 1 167 . 1 1 15 15 PHE N N 15 122.818 0.080 . 1 . . . A 131 PHE N . 18717 1 168 . 1 1 16 16 LYS H H 1 7.749 0.008 . 1 . . . A 132 LYS H . 18717 1 169 . 1 1 16 16 LYS HA H 1 3.963 0.000 . 1 . . . A 132 LYS HA . 18717 1 170 . 1 1 16 16 LYS HB2 H 1 1.902 0.000 . 2 . . . A 132 LYS HB2 . 18717 1 171 . 1 1 16 16 LYS HB3 H 1 1.827 0.000 . 2 . . . A 132 LYS HB3 . 18717 1 172 . 1 1 16 16 LYS HG2 H 1 1.669 0.002 . 2 . . . A 132 LYS HG2 . 18717 1 173 . 1 1 16 16 LYS HG3 H 1 1.535 0.001 . 2 . . . A 132 LYS HG3 . 18717 1 174 . 1 1 16 16 LYS HE3 H 1 2.923 0.000 . 1 . . . A 132 LYS HE3 . 18717 1 175 . 1 1 16 16 LYS C C 13 176.988 0.003 . 1 . . . A 132 LYS C . 18717 1 176 . 1 1 16 16 LYS CA C 13 58.086 0.015 . 1 . . . A 132 LYS CA . 18717 1 177 . 1 1 16 16 LYS CB C 13 32.608 0.000 . 1 . . . A 132 LYS CB . 18717 1 178 . 1 1 16 16 LYS CG C 13 25.611 0.000 . 1 . . . A 132 LYS CG . 18717 1 179 . 1 1 16 16 LYS CE C 13 41.833 0.000 . 1 . . . A 132 LYS CE . 18717 1 180 . 1 1 16 16 LYS N N 15 115.158 0.049 . 1 . . . A 132 LYS N . 18717 1 181 . 1 1 17 17 THR H H 1 7.520 0.002 . 1 . . . A 133 THR H . 18717 1 182 . 1 1 17 17 THR HA H 1 4.271 0.003 . 1 . . . A 133 THR HA . 18717 1 183 . 1 1 17 17 THR HB H 1 4.406 0.004 . 1 . . . A 133 THR HB . 18717 1 184 . 1 1 17 17 THR HG21 H 1 1.306 0.003 . 1 . . . A 133 THR HG21 . 18717 1 185 . 1 1 17 17 THR HG22 H 1 1.306 0.003 . 1 . . . A 133 THR HG22 . 18717 1 186 . 1 1 17 17 THR HG23 H 1 1.306 0.003 . 1 . . . A 133 THR HG23 . 18717 1 187 . 1 1 17 17 THR C C 13 174.741 0.000 . 1 . . . A 133 THR C . 18717 1 188 . 1 1 17 17 THR CA C 13 61.767 0.006 . 1 . . . A 133 THR CA . 18717 1 189 . 1 1 17 17 THR CB C 13 69.956 0.001 . 1 . . . A 133 THR CB . 18717 1 190 . 1 1 17 17 THR CG2 C 13 21.323 0.000 . 1 . . . A 133 THR CG2 . 18717 1 191 . 1 1 17 17 THR N N 15 108.693 0.017 . 1 . . . A 133 THR N . 18717 1 192 . 1 1 18 18 ILE H H 1 7.069 0.007 . 1 . . . A 134 ILE H . 18717 1 193 . 1 1 18 18 ILE HA H 1 3.621 0.000 . 1 . . . A 134 ILE HA . 18717 1 194 . 1 1 18 18 ILE HB H 1 1.321 0.002 . 1 . . . A 134 ILE HB . 18717 1 195 . 1 1 18 18 ILE HG21 H 1 0.647 0.001 . 1 . . . A 134 ILE HG21 . 18717 1 196 . 1 1 18 18 ILE HG22 H 1 0.647 0.001 . 1 . . . A 134 ILE HG22 . 18717 1 197 . 1 1 18 18 ILE HG23 H 1 0.647 0.001 . 1 . . . A 134 ILE HG23 . 18717 1 198 . 1 1 18 18 ILE HD11 H 1 0.636 0.007 . 1 . . . A 134 ILE HD11 . 18717 1 199 . 1 1 18 18 ILE HD12 H 1 0.636 0.007 . 1 . . . A 134 ILE HD12 . 18717 1 200 . 1 1 18 18 ILE HD13 H 1 0.636 0.007 . 1 . . . A 134 ILE HD13 . 18717 1 201 . 1 1 18 18 ILE C C 13 173.734 0.000 . 1 . . . A 134 ILE C . 18717 1 202 . 1 1 18 18 ILE CA C 13 59.401 0.086 . 1 . . . A 134 ILE CA . 18717 1 203 . 1 1 18 18 ILE CB C 13 38.283 0.024 . 1 . . . A 134 ILE CB . 18717 1 204 . 1 1 18 18 ILE CD1 C 13 14.153 0.116 . 1 . . . A 134 ILE CD1 . 18717 1 205 . 1 1 18 18 ILE N N 15 124.684 0.038 . 1 . . . A 134 ILE N . 18717 1 206 . 1 1 19 19 PRO HA H 1 4.089 0.000 . 1 . . . A 135 PRO HA . 18717 1 207 . 1 1 19 19 PRO C C 13 178.325 0.000 . 1 . . . A 135 PRO C . 18717 1 208 . 1 1 19 19 PRO CA C 13 62.565 0.000 . 1 . . . A 135 PRO CA . 18717 1 209 . 1 1 19 19 PRO CB C 13 32.687 0.000 . 1 . . . A 135 PRO CB . 18717 1 210 . 1 1 19 19 PRO CG C 13 27.490 0.000 . 1 . . . A 135 PRO CG . 18717 1 211 . 1 1 19 19 PRO CD C 13 49.763 0.000 . 1 . . . A 135 PRO CD . 18717 1 212 . 1 1 20 20 LYS H H 1 8.638 0.001 . 1 . . . A 136 LYS H . 18717 1 213 . 1 1 20 20 LYS HA H 1 3.707 0.002 . 1 . . . A 136 LYS HA . 18717 1 214 . 1 1 20 20 LYS HB2 H 1 1.764 0.000 . 2 . . . A 136 LYS HB2 . 18717 1 215 . 1 1 20 20 LYS HB3 H 1 1.812 0.000 . 2 . . . A 136 LYS HB3 . 18717 1 216 . 1 1 20 20 LYS HG2 H 1 1.400 0.001 . 2 . . . A 136 LYS HG2 . 18717 1 217 . 1 1 20 20 LYS HG3 H 1 1.468 0.000 . 2 . . . A 136 LYS HG3 . 18717 1 218 . 1 1 20 20 LYS HD2 H 1 1.648 0.000 . 1 . . . A 136 LYS HD2 . 18717 1 219 . 1 1 20 20 LYS HD3 H 1 1.648 0.000 . 1 . . . A 136 LYS HD3 . 18717 1 220 . 1 1 20 20 LYS C C 13 179.479 0.000 . 1 . . . A 136 LYS C . 18717 1 221 . 1 1 20 20 LYS CA C 13 59.180 0.025 . 1 . . . A 136 LYS CA . 18717 1 222 . 1 1 20 20 LYS CB C 13 31.439 0.019 . 1 . . . A 136 LYS CB . 18717 1 223 . 1 1 20 20 LYS CG C 13 24.768 0.000 . 1 . . . A 136 LYS CG . 18717 1 224 . 1 1 20 20 LYS CD C 13 28.401 0.000 . 1 . . . A 136 LYS CD . 18717 1 225 . 1 1 20 20 LYS N N 15 124.588 0.088 . 1 . . . A 136 LYS N . 18717 1 226 . 1 1 21 21 TYR H H 1 7.900 0.004 . 1 . . . A 137 TYR H . 18717 1 227 . 1 1 21 21 TYR HA H 1 4.314 0.000 . 1 . . . A 137 TYR HA . 18717 1 228 . 1 1 21 21 TYR HB2 H 1 2.879 0.000 . 2 . . . A 137 TYR HB2 . 18717 1 229 . 1 1 21 21 TYR HB3 H 1 3.117 0.001 . 2 . . . A 137 TYR HB3 . 18717 1 230 . 1 1 21 21 TYR HD1 H 1 7.010 0.005 . 3 . . . A 137 TYR HD1 . 18717 1 231 . 1 1 21 21 TYR HD2 H 1 7.010 0.005 . 3 . . . A 137 TYR HD2 . 18717 1 232 . 1 1 21 21 TYR HE1 H 1 6.754 0.007 . 3 . . . A 137 TYR HE1 . 18717 1 233 . 1 1 21 21 TYR HE2 H 1 6.754 0.007 . 3 . . . A 137 TYR HE2 . 18717 1 234 . 1 1 21 21 TYR C C 13 176.892 0.005 . 1 . . . A 137 TYR C . 18717 1 235 . 1 1 21 21 TYR CA C 13 58.914 0.000 . 1 . . . A 137 TYR CA . 18717 1 236 . 1 1 21 21 TYR CB C 13 36.332 0.020 . 1 . . . A 137 TYR CB . 18717 1 237 . 1 1 21 21 TYR CD1 C 13 133.550 0.000 . 3 . . . A 137 TYR CD1 . 18717 1 238 . 1 1 21 21 TYR CD2 C 13 133.550 0.000 . 3 . . . A 137 TYR CD2 . 18717 1 239 . 1 1 21 21 TYR CE1 C 13 118.657 0.000 . 3 . . . A 137 TYR CE1 . 18717 1 240 . 1 1 21 21 TYR CE2 C 13 118.657 0.000 . 3 . . . A 137 TYR CE2 . 18717 1 241 . 1 1 21 21 TYR N N 15 115.083 0.080 . 1 . . . A 137 TYR N . 18717 1 242 . 1 1 22 22 GLN H H 1 6.761 0.002 . 1 . . . A 138 GLN H . 18717 1 243 . 1 1 22 22 GLN HA H 1 3.926 0.002 . 1 . . . A 138 GLN HA . 18717 1 244 . 1 1 22 22 GLN HB3 H 1 1.468 0.000 . 1 . . . A 138 GLN HB3 . 18717 1 245 . 1 1 22 22 GLN HG2 H 1 1.860 0.000 . 2 . . . A 138 GLN HG2 . 18717 1 246 . 1 1 22 22 GLN HG3 H 1 1.602 0.000 . 2 . . . A 138 GLN HG3 . 18717 1 247 . 1 1 22 22 GLN C C 13 176.508 0.005 . 1 . . . A 138 GLN C . 18717 1 248 . 1 1 22 22 GLN CA C 13 56.606 0.000 . 1 . . . A 138 GLN CA . 18717 1 249 . 1 1 22 22 GLN CB C 13 29.465 0.000 . 1 . . . A 138 GLN CB . 18717 1 250 . 1 1 22 22 GLN CG C 13 33.962 0.000 . 1 . . . A 138 GLN CG . 18717 1 251 . 1 1 22 22 GLN N N 15 119.714 0.057 . 1 . . . A 138 GLN N . 18717 1 252 . 1 1 23 23 LEU H H 1 7.119 0.005 . 1 . . . A 139 LEU H . 18717 1 253 . 1 1 23 23 LEU HA H 1 3.852 0.000 . 1 . . . A 139 LEU HA . 18717 1 254 . 1 1 23 23 LEU HB2 H 1 1.452 0.000 . 2 . . . A 139 LEU HB2 . 18717 1 255 . 1 1 23 23 LEU HB3 H 1 1.386 0.003 . 2 . . . A 139 LEU HB3 . 18717 1 256 . 1 1 23 23 LEU HG H 1 1.335 0.002 . 1 . . . A 139 LEU HG . 18717 1 257 . 1 1 23 23 LEU HD11 H 1 0.485 0.001 . 1 . . . A 139 LEU HD11 . 18717 1 258 . 1 1 23 23 LEU HD12 H 1 0.485 0.001 . 1 . . . A 139 LEU HD12 . 18717 1 259 . 1 1 23 23 LEU HD13 H 1 0.485 0.001 . 1 . . . A 139 LEU HD13 . 18717 1 260 . 1 1 23 23 LEU HD21 H 1 0.602 0.006 . 1 . . . A 139 LEU HD21 . 18717 1 261 . 1 1 23 23 LEU HD22 H 1 0.602 0.006 . 1 . . . A 139 LEU HD22 . 18717 1 262 . 1 1 23 23 LEU HD23 H 1 0.602 0.006 . 1 . . . A 139 LEU HD23 . 18717 1 263 . 1 1 23 23 LEU C C 13 178.702 0.006 . 1 . . . A 139 LEU C . 18717 1 264 . 1 1 23 23 LEU CA C 13 56.569 0.013 . 1 . . . A 139 LEU CA . 18717 1 265 . 1 1 23 23 LEU CB C 13 43.590 0.014 . 1 . . . A 139 LEU CB . 18717 1 266 . 1 1 23 23 LEU CG C 13 26.142 0.017 . 1 . . . A 139 LEU CG . 18717 1 267 . 1 1 23 23 LEU CD1 C 13 25.426 0.000 . 1 . . . A 139 LEU CD1 . 18717 1 268 . 1 1 23 23 LEU CD2 C 13 24.830 0.048 . 1 . . . A 139 LEU CD2 . 18717 1 269 . 1 1 23 23 LEU N N 15 118.585 0.061 . 1 . . . A 139 LEU N . 18717 1 270 . 1 1 24 24 GLY H H 1 7.543 0.002 . 1 . . . A 140 GLY H . 18717 1 271 . 1 1 24 24 GLY HA2 H 1 3.749 0.001 . 2 . . . A 140 GLY HA2 . 18717 1 272 . 1 1 24 24 GLY HA3 H 1 3.616 0.001 . 2 . . . A 140 GLY HA3 . 18717 1 273 . 1 1 24 24 GLY C C 13 175.762 0.005 . 1 . . . A 140 GLY C . 18717 1 274 . 1 1 24 24 GLY CA C 13 46.923 0.012 . 1 . . . A 140 GLY CA . 18717 1 275 . 1 1 24 24 GLY N N 15 103.579 0.066 . 1 . . . A 140 GLY N . 18717 1 276 . 1 1 25 25 ARG H H 1 8.850 0.003 . 1 . . . A 141 ARG H . 18717 1 277 . 1 1 25 25 ARG HA H 1 4.280 0.000 . 1 . . . A 141 ARG HA . 18717 1 278 . 1 1 25 25 ARG C C 13 175.767 0.000 . 1 . . . A 141 ARG C . 18717 1 279 . 1 1 25 25 ARG CA C 13 55.373 0.000 . 1 . . . A 141 ARG CA . 18717 1 280 . 1 1 25 25 ARG CB C 13 29.946 0.000 . 1 . . . A 141 ARG CB . 18717 1 281 . 1 1 25 25 ARG CG C 13 26.756 0.000 . 1 . . . A 141 ARG CG . 18717 1 282 . 1 1 25 25 ARG CD C 13 42.943 0.000 . 1 . . . A 141 ARG CD . 18717 1 283 . 1 1 25 25 ARG N N 15 126.030 0.000 . 1 . . . A 141 ARG N . 18717 1 284 . 1 1 26 26 LEU H H 1 8.021 0.005 . 1 . . . A 142 LEU H . 18717 1 285 . 1 1 26 26 LEU HA H 1 4.258 0.005 . 1 . . . A 142 LEU HA . 18717 1 286 . 1 1 26 26 LEU HB2 H 1 1.811 0.000 . 2 . . . A 142 LEU HB2 . 18717 1 287 . 1 1 26 26 LEU HB3 H 1 2.052 0.001 . 2 . . . A 142 LEU HB3 . 18717 1 288 . 1 1 26 26 LEU HG H 1 1.308 0.000 . 1 . . . A 142 LEU HG . 18717 1 289 . 1 1 26 26 LEU HD11 H 1 0.843 0.006 . 1 . . . A 142 LEU HD11 . 18717 1 290 . 1 1 26 26 LEU HD12 H 1 0.843 0.006 . 1 . . . A 142 LEU HD12 . 18717 1 291 . 1 1 26 26 LEU HD13 H 1 0.843 0.006 . 1 . . . A 142 LEU HD13 . 18717 1 292 . 1 1 26 26 LEU HD21 H 1 0.840 0.006 . 1 . . . A 142 LEU HD21 . 18717 1 293 . 1 1 26 26 LEU HD22 H 1 0.840 0.006 . 1 . . . A 142 LEU HD22 . 18717 1 294 . 1 1 26 26 LEU HD23 H 1 0.840 0.006 . 1 . . . A 142 LEU HD23 . 18717 1 295 . 1 1 26 26 LEU C C 13 176.524 0.000 . 1 . . . A 142 LEU C . 18717 1 296 . 1 1 26 26 LEU CA C 13 56.596 0.014 . 1 . . . A 142 LEU CA . 18717 1 297 . 1 1 26 26 LEU CB C 13 42.745 0.033 . 1 . . . A 142 LEU CB . 18717 1 298 . 1 1 26 26 LEU CG C 13 26.961 0.000 . 1 . . . A 142 LEU CG . 18717 1 299 . 1 1 26 26 LEU CD1 C 13 24.415 0.028 . 1 . . . A 142 LEU CD1 . 18717 1 300 . 1 1 26 26 LEU CD2 C 13 24.408 0.018 . 1 . . . A 142 LEU CD2 . 18717 1 301 . 1 1 26 26 LEU N N 15 121.262 0.042 . 1 . . . A 142 LEU N . 18717 1 302 . 1 1 27 27 THR H H 1 7.138 0.010 . 1 . . . A 143 THR H . 18717 1 303 . 1 1 27 27 THR HA H 1 4.635 0.002 . 1 . . . A 143 THR HA . 18717 1 304 . 1 1 27 27 THR HB H 1 4.575 0.002 . 1 . . . A 143 THR HB . 18717 1 305 . 1 1 27 27 THR HG21 H 1 1.256 0.003 . 1 . . . A 143 THR HG21 . 18717 1 306 . 1 1 27 27 THR HG22 H 1 1.256 0.003 . 1 . . . A 143 THR HG22 . 18717 1 307 . 1 1 27 27 THR HG23 H 1 1.256 0.003 . 1 . . . A 143 THR HG23 . 18717 1 308 . 1 1 27 27 THR C C 13 174.974 0.000 . 1 . . . A 143 THR C . 18717 1 309 . 1 1 27 27 THR CA C 13 58.272 0.013 . 1 . . . A 143 THR CA . 18717 1 310 . 1 1 27 27 THR CG2 C 13 21.735 0.000 . 1 . . . A 143 THR CG2 . 18717 1 311 . 1 1 27 27 THR N N 15 110.948 0.009 . 1 . . . A 143 THR N . 18717 1 312 . 1 1 28 28 LEU H H 1 8.402 0.002 . 1 . . . A 144 LEU H . 18717 1 313 . 1 1 28 28 LEU HA H 1 3.225 0.004 . 1 . . . A 144 LEU HA . 18717 1 314 . 1 1 28 28 LEU HB2 H 1 -0.185 0.004 . 2 . . . A 144 LEU HB2 . 18717 1 315 . 1 1 28 28 LEU HB3 H 1 1.179 0.005 . 2 . . . A 144 LEU HB3 . 18717 1 316 . 1 1 28 28 LEU HD11 H 1 0.434 0.004 . 1 . . . A 144 LEU HD11 . 18717 1 317 . 1 1 28 28 LEU HD12 H 1 0.434 0.004 . 1 . . . A 144 LEU HD12 . 18717 1 318 . 1 1 28 28 LEU HD13 H 1 0.434 0.004 . 1 . . . A 144 LEU HD13 . 18717 1 319 . 1 1 28 28 LEU HD21 H 1 0.507 0.005 . 1 . . . A 144 LEU HD21 . 18717 1 320 . 1 1 28 28 LEU HD22 H 1 0.507 0.005 . 1 . . . A 144 LEU HD22 . 18717 1 321 . 1 1 28 28 LEU HD23 H 1 0.507 0.005 . 1 . . . A 144 LEU HD23 . 18717 1 322 . 1 1 28 28 LEU C C 13 177.901 0.005 . 1 . . . A 144 LEU C . 18717 1 323 . 1 1 28 28 LEU CA C 13 57.834 0.000 . 1 . . . A 144 LEU CA . 18717 1 324 . 1 1 28 28 LEU CB C 13 39.929 0.000 . 1 . . . A 144 LEU CB . 18717 1 325 . 1 1 28 28 LEU CD1 C 13 22.781 0.000 . 1 . . . A 144 LEU CD1 . 18717 1 326 . 1 1 28 28 LEU CD2 C 13 25.349 0.022 . 1 . . . A 144 LEU CD2 . 18717 1 327 . 1 1 28 28 LEU N N 15 124.515 0.106 . 1 . . . A 144 LEU N . 18717 1 328 . 1 1 29 29 GLU H H 1 8.359 0.003 . 1 . . . A 145 GLU H . 18717 1 329 . 1 1 29 29 GLU HA H 1 3.886 0.002 . 1 . . . A 145 GLU HA . 18717 1 330 . 1 1 29 29 GLU HB2 H 1 1.957 0.006 . 2 . . . A 145 GLU HB2 . 18717 1 331 . 1 1 29 29 GLU HB3 H 1 1.814 0.000 . 2 . . . A 145 GLU HB3 . 18717 1 332 . 1 1 29 29 GLU HG2 H 1 2.230 0.000 . 2 . . . A 145 GLU HG2 . 18717 1 333 . 1 1 29 29 GLU HG3 H 1 2.176 0.004 . 2 . . . A 145 GLU HG3 . 18717 1 334 . 1 1 29 29 GLU C C 13 180.121 0.000 . 1 . . . A 145 GLU C . 18717 1 335 . 1 1 29 29 GLU CA C 13 59.967 0.000 . 1 . . . A 145 GLU CA . 18717 1 336 . 1 1 29 29 GLU CB C 13 28.813 0.013 . 1 . . . A 145 GLU CB . 18717 1 337 . 1 1 29 29 GLU CG C 13 36.334 0.000 . 1 . . . A 145 GLU CG . 18717 1 338 . 1 1 29 29 GLU N N 15 117.001 0.041 . 1 . . . A 145 GLU N . 18717 1 339 . 1 1 30 30 MET H H 1 7.544 0.010 . 1 . . . A 146 MET H . 18717 1 340 . 1 1 30 30 MET HA H 1 3.999 0.001 . 1 . . . A 146 MET HA . 18717 1 341 . 1 1 30 30 MET HB2 H 1 2.407 0.000 . 1 . . . A 146 MET HB2 . 18717 1 342 . 1 1 30 30 MET HB3 H 1 2.407 0.003 . 1 . . . A 146 MET HB3 . 18717 1 343 . 1 1 30 30 MET HG2 H 1 2.755 0.000 . 2 . . . A 146 MET HG2 . 18717 1 344 . 1 1 30 30 MET HG3 H 1 2.602 0.000 . 2 . . . A 146 MET HG3 . 18717 1 345 . 1 1 30 30 MET C C 13 178.239 0.000 . 1 . . . A 146 MET C . 18717 1 346 . 1 1 30 30 MET CA C 13 58.946 0.000 . 1 . . . A 146 MET CA . 18717 1 347 . 1 1 30 30 MET CB C 13 31.941 0.000 . 1 . . . A 146 MET CB . 18717 1 348 . 1 1 30 30 MET CG C 13 31.826 0.042 . 1 . . . A 146 MET CG . 18717 1 349 . 1 1 30 30 MET N N 15 119.099 0.095 . 1 . . . A 146 MET N . 18717 1 350 . 1 1 31 31 MET H H 1 8.314 0.005 . 1 . . . A 147 MET H . 18717 1 351 . 1 1 31 31 MET HA H 1 3.825 0.003 . 1 . . . A 147 MET HA . 18717 1 352 . 1 1 31 31 MET HB2 H 1 2.120 0.004 . 2 . . . A 147 MET HB2 . 18717 1 353 . 1 1 31 31 MET HB3 H 1 1.956 0.002 . 2 . . . A 147 MET HB3 . 18717 1 354 . 1 1 31 31 MET HG2 H 1 2.431 0.000 . 2 . . . A 147 MET HG2 . 18717 1 355 . 1 1 31 31 MET HG3 H 1 2.286 0.002 . 2 . . . A 147 MET HG3 . 18717 1 356 . 1 1 31 31 MET C C 13 178.015 0.010 . 1 . . . A 147 MET C . 18717 1 357 . 1 1 31 31 MET CA C 13 58.966 0.011 . 1 . . . A 147 MET CA . 18717 1 358 . 1 1 31 31 MET CB C 13 32.253 0.020 . 1 . . . A 147 MET CB . 18717 1 359 . 1 1 31 31 MET CG C 13 33.108 0.000 . 1 . . . A 147 MET CG . 18717 1 360 . 1 1 31 31 MET N N 15 117.280 0.085 . 1 . . . A 147 MET N . 18717 1 361 . 1 1 32 32 ASN H H 1 8.733 0.007 . 1 . . . A 148 ASN H . 18717 1 362 . 1 1 32 32 ASN HA H 1 4.960 0.003 . 1 . . . A 148 ASN HA . 18717 1 363 . 1 1 32 32 ASN HB2 H 1 2.940 0.000 . 2 . . . A 148 ASN HB2 . 18717 1 364 . 1 1 32 32 ASN HB3 H 1 2.681 0.001 . 2 . . . A 148 ASN HB3 . 18717 1 365 . 1 1 32 32 ASN C C 13 179.074 0.000 . 1 . . . A 148 ASN C . 18717 1 366 . 1 1 32 32 ASN CA C 13 54.275 0.016 . 1 . . . A 148 ASN CA . 18717 1 367 . 1 1 32 32 ASN CB C 13 36.915 0.000 . 1 . . . A 148 ASN CB . 18717 1 368 . 1 1 32 32 ASN N N 15 116.584 0.086 . 1 . . . A 148 ASN N . 18717 1 369 . 1 1 33 33 GLU H H 1 7.921 0.004 . 1 . . . A 149 GLU H . 18717 1 370 . 1 1 33 33 GLU HA H 1 4.186 0.000 . 1 . . . A 149 GLU HA . 18717 1 371 . 1 1 33 33 GLU HG2 H 1 2.206 0.002 . 2 . . . A 149 GLU HG2 . 18717 1 372 . 1 1 33 33 GLU HG3 H 1 2.135 0.001 . 2 . . . A 149 GLU HG3 . 18717 1 373 . 1 1 33 33 GLU C C 13 179.007 0.000 . 1 . . . A 149 GLU C . 18717 1 374 . 1 1 33 33 GLU CA C 13 59.511 0.000 . 1 . . . A 149 GLU CA . 18717 1 375 . 1 1 33 33 GLU CB C 13 29.228 0.000 . 1 . . . A 149 GLU CB . 18717 1 376 . 1 1 33 33 GLU CG C 13 35.968 0.000 . 1 . . . A 149 GLU CG . 18717 1 377 . 1 1 33 33 GLU N N 15 125.286 0.071 . 1 . . . A 149 GLU N . 18717 1 378 . 1 1 34 34 ILE H H 1 7.578 0.002 . 1 . . . A 150 ILE H . 18717 1 379 . 1 1 34 34 ILE HA H 1 3.471 0.002 . 1 . . . A 150 ILE HA . 18717 1 380 . 1 1 34 34 ILE HB H 1 1.987 0.011 . 1 . . . A 150 ILE HB . 18717 1 381 . 1 1 34 34 ILE HG12 H 1 1.742 0.000 . 2 . . . A 150 ILE HG12 . 18717 1 382 . 1 1 34 34 ILE HG13 H 1 1.459 0.000 . 2 . . . A 150 ILE HG13 . 18717 1 383 . 1 1 34 34 ILE HG21 H 1 0.831 0.000 . 1 . . . A 150 ILE HG21 . 18717 1 384 . 1 1 34 34 ILE HG22 H 1 0.831 0.000 . 1 . . . A 150 ILE HG22 . 18717 1 385 . 1 1 34 34 ILE HG23 H 1 0.831 0.000 . 1 . . . A 150 ILE HG23 . 18717 1 386 . 1 1 34 34 ILE HD11 H 1 0.646 0.006 . 1 . . . A 150 ILE HD11 . 18717 1 387 . 1 1 34 34 ILE HD12 H 1 0.646 0.006 . 1 . . . A 150 ILE HD12 . 18717 1 388 . 1 1 34 34 ILE HD13 H 1 0.646 0.006 . 1 . . . A 150 ILE HD13 . 18717 1 389 . 1 1 34 34 ILE C C 13 178.052 0.000 . 1 . . . A 150 ILE C . 18717 1 390 . 1 1 34 34 ILE CA C 13 65.794 0.000 . 1 . . . A 150 ILE CA . 18717 1 391 . 1 1 34 34 ILE CB C 13 37.922 0.000 . 1 . . . A 150 ILE CB . 18717 1 392 . 1 1 34 34 ILE CG1 C 13 27.332 0.000 . 1 . . . A 150 ILE CG1 . 18717 1 393 . 1 1 34 34 ILE CG2 C 13 17.801 0.000 . 1 . . . A 150 ILE CG2 . 18717 1 394 . 1 1 34 34 ILE CD1 C 13 13.149 0.087 . 1 . . . A 150 ILE CD1 . 18717 1 395 . 1 1 34 34 ILE N N 15 119.887 0.109 . 1 . . . A 150 ILE N . 18717 1 396 . 1 1 35 35 VAL H H 1 8.665 0.009 . 1 . . . A 151 VAL H . 18717 1 397 . 1 1 35 35 VAL HA H 1 3.578 0.003 . 1 . . . A 151 VAL HA . 18717 1 398 . 1 1 35 35 VAL HB H 1 2.111 0.002 . 1 . . . A 151 VAL HB . 18717 1 399 . 1 1 35 35 VAL HG11 H 1 0.806 0.044 . 1 . . . A 151 VAL HG11 . 18717 1 400 . 1 1 35 35 VAL HG12 H 1 0.806 0.044 . 1 . . . A 151 VAL HG12 . 18717 1 401 . 1 1 35 35 VAL HG13 H 1 0.806 0.044 . 1 . . . A 151 VAL HG13 . 18717 1 402 . 1 1 35 35 VAL HG21 H 1 0.949 0.007 . 1 . . . A 151 VAL HG21 . 18717 1 403 . 1 1 35 35 VAL HG22 H 1 0.949 0.007 . 1 . . . A 151 VAL HG22 . 18717 1 404 . 1 1 35 35 VAL HG23 H 1 0.949 0.007 . 1 . . . A 151 VAL HG23 . 18717 1 405 . 1 1 35 35 VAL C C 13 177.649 0.010 . 1 . . . A 151 VAL C . 18717 1 406 . 1 1 35 35 VAL CA C 13 66.145 0.000 . 1 . . . A 151 VAL CA . 18717 1 407 . 1 1 35 35 VAL CB C 13 31.499 0.000 . 1 . . . A 151 VAL CB . 18717 1 408 . 1 1 35 35 VAL CG1 C 13 21.978 0.000 . 1 . . . A 151 VAL CG1 . 18717 1 409 . 1 1 35 35 VAL CG2 C 13 24.489 0.074 . 1 . . . A 151 VAL CG2 . 18717 1 410 . 1 1 35 35 VAL N N 15 118.969 0.070 . 1 . . . A 151 VAL N . 18717 1 411 . 1 1 36 36 SER H H 1 8.174 0.001 . 1 . . . A 152 SER H . 18717 1 412 . 1 1 36 36 SER HA H 1 4.169 0.003 . 1 . . . A 152 SER HA . 18717 1 413 . 1 1 36 36 SER HB2 H 1 4.021 0.000 . 2 . . . A 152 SER HB2 . 18717 1 414 . 1 1 36 36 SER HB3 H 1 4.013 0.001 . 2 . . . A 152 SER HB3 . 18717 1 415 . 1 1 36 36 SER C C 13 176.433 0.000 . 1 . . . A 152 SER C . 18717 1 416 . 1 1 36 36 SER CA C 13 61.604 0.000 . 1 . . . A 152 SER CA . 18717 1 417 . 1 1 36 36 SER CB C 13 62.415 0.014 . 1 . . . A 152 SER CB . 18717 1 418 . 1 1 36 36 SER N N 15 114.910 0.101 . 1 . . . A 152 SER N . 18717 1 419 . 1 1 37 37 LYS H H 1 7.288 0.005 . 1 . . . A 153 LYS H . 18717 1 420 . 1 1 37 37 LYS HA H 1 4.177 0.001 . 1 . . . A 153 LYS HA . 18717 1 421 . 1 1 37 37 LYS HB3 H 1 1.892 0.002 . 1 . . . A 153 LYS HB3 . 18717 1 422 . 1 1 37 37 LYS HG3 H 1 1.707 0.000 . 1 . . . A 153 LYS HG3 . 18717 1 423 . 1 1 37 37 LYS HD3 H 1 1.803 0.001 . 1 . . . A 153 LYS HD3 . 18717 1 424 . 1 1 37 37 LYS C C 13 178.884 0.000 . 1 . . . A 153 LYS C . 18717 1 425 . 1 1 37 37 LYS CA C 13 57.155 0.000 . 1 . . . A 153 LYS CA . 18717 1 426 . 1 1 37 37 LYS CB C 13 30.380 0.000 . 1 . . . A 153 LYS CB . 18717 1 427 . 1 1 37 37 LYS CG C 13 24.595 0.000 . 1 . . . A 153 LYS CG . 18717 1 428 . 1 1 37 37 LYS CD C 13 26.978 0.000 . 1 . . . A 153 LYS CD . 18717 1 429 . 1 1 37 37 LYS N N 15 118.939 0.079 . 1 . . . A 153 LYS N . 18717 1 430 . 1 1 38 38 MET H H 1 7.743 0.004 . 1 . . . A 154 MET H . 18717 1 431 . 1 1 38 38 MET HA H 1 3.433 0.003 . 1 . . . A 154 MET HA . 18717 1 432 . 1 1 38 38 MET C C 13 177.059 0.003 . 1 . . . A 154 MET C . 18717 1 433 . 1 1 38 38 MET CA C 13 59.676 0.000 . 1 . . . A 154 MET CA . 18717 1 434 . 1 1 38 38 MET CB C 13 31.961 0.000 . 1 . . . A 154 MET CB . 18717 1 435 . 1 1 38 38 MET N N 15 119.010 0.091 . 1 . . . A 154 MET N . 18717 1 436 . 1 1 39 39 ASP H H 1 8.605 0.003 . 1 . . . A 155 ASP H . 18717 1 437 . 1 1 39 39 ASP HA H 1 4.089 0.001 . 1 . . . A 155 ASP HA . 18717 1 438 . 1 1 39 39 ASP HB2 H 1 2.856 0.001 . 2 . . . A 155 ASP HB2 . 18717 1 439 . 1 1 39 39 ASP HB3 H 1 2.675 0.000 . 2 . . . A 155 ASP HB3 . 18717 1 440 . 1 1 39 39 ASP C C 13 177.348 0.000 . 1 . . . A 155 ASP C . 18717 1 441 . 1 1 39 39 ASP CA C 13 58.773 0.000 . 1 . . . A 155 ASP CA . 18717 1 442 . 1 1 39 39 ASP CB C 13 43.142 0.000 . 1 . . . A 155 ASP CB . 18717 1 443 . 1 1 39 39 ASP N N 15 118.369 0.104 . 1 . . . A 155 ASP N . 18717 1 444 . 1 1 40 40 ASP H H 1 8.395 0.006 . 1 . . . A 156 ASP H . 18717 1 445 . 1 1 40 40 ASP HA H 1 4.189 0.000 . 1 . . . A 156 ASP HA . 18717 1 446 . 1 1 40 40 ASP HB2 H 1 2.826 0.000 . 2 . . . A 156 ASP HB2 . 18717 1 447 . 1 1 40 40 ASP HB3 H 1 2.571 0.001 . 2 . . . A 156 ASP HB3 . 18717 1 448 . 1 1 40 40 ASP C C 13 179.247 0.013 . 1 . . . A 156 ASP C . 18717 1 449 . 1 1 40 40 ASP CA C 13 57.327 0.000 . 1 . . . A 156 ASP CA . 18717 1 450 . 1 1 40 40 ASP CB C 13 41.041 0.000 . 1 . . . A 156 ASP CB . 18717 1 451 . 1 1 40 40 ASP N N 15 117.392 0.113 . 1 . . . A 156 ASP N . 18717 1 452 . 1 1 41 41 PHE H H 1 8.254 0.006 . 1 . . . A 157 PHE H . 18717 1 453 . 1 1 41 41 PHE HA H 1 3.971 0.000 . 1 . . . A 157 PHE HA . 18717 1 454 . 1 1 41 41 PHE HB2 H 1 3.068 0.004 . 2 . . . A 157 PHE HB2 . 18717 1 455 . 1 1 41 41 PHE HB3 H 1 2.652 0.004 . 2 . . . A 157 PHE HB3 . 18717 1 456 . 1 1 41 41 PHE HD1 H 1 7.012 0.007 . 3 . . . A 157 PHE HD1 . 18717 1 457 . 1 1 41 41 PHE HD2 H 1 7.012 0.007 . 3 . . . A 157 PHE HD2 . 18717 1 458 . 1 1 41 41 PHE C C 13 177.361 0.000 . 1 . . . A 157 PHE C . 18717 1 459 . 1 1 41 41 PHE CA C 13 62.162 0.000 . 1 . . . A 157 PHE CA . 18717 1 460 . 1 1 41 41 PHE CB C 13 39.698 0.005 . 1 . . . A 157 PHE CB . 18717 1 461 . 1 1 41 41 PHE N N 15 119.440 0.081 . 1 . . . A 157 PHE N . 18717 1 462 . 1 1 42 42 LEU H H 1 8.211 0.008 . 1 . . . A 158 LEU H . 18717 1 463 . 1 1 42 42 LEU HA H 1 3.725 0.000 . 1 . . . A 158 LEU HA . 18717 1 464 . 1 1 42 42 LEU HB2 H 1 1.891 0.000 . 2 . . . A 158 LEU HB2 . 18717 1 465 . 1 1 42 42 LEU HB3 H 1 1.188 0.002 . 2 . . . A 158 LEU HB3 . 18717 1 466 . 1 1 42 42 LEU HD11 H 1 0.849 0.000 . 1 . . . A 158 LEU HD11 . 18717 1 467 . 1 1 42 42 LEU HD12 H 1 0.849 0.000 . 1 . . . A 158 LEU HD12 . 18717 1 468 . 1 1 42 42 LEU HD13 H 1 0.849 0.000 . 1 . . . A 158 LEU HD13 . 18717 1 469 . 1 1 42 42 LEU HD21 H 1 0.754 0.007 . 1 . . . A 158 LEU HD21 . 18717 1 470 . 1 1 42 42 LEU HD22 H 1 0.754 0.007 . 1 . . . A 158 LEU HD22 . 18717 1 471 . 1 1 42 42 LEU HD23 H 1 0.754 0.007 . 1 . . . A 158 LEU HD23 . 18717 1 472 . 1 1 42 42 LEU C C 13 178.874 0.000 . 1 . . . A 158 LEU C . 18717 1 473 . 1 1 42 42 LEU CA C 13 57.168 0.000 . 1 . . . A 158 LEU CA . 18717 1 474 . 1 1 42 42 LEU CB C 13 41.649 0.000 . 1 . . . A 158 LEU CB . 18717 1 475 . 1 1 42 42 LEU CD1 C 13 25.963 0.000 . 1 . . . A 158 LEU CD1 . 18717 1 476 . 1 1 42 42 LEU CD2 C 13 22.840 0.025 . 1 . . . A 158 LEU CD2 . 18717 1 477 . 1 1 42 42 LEU N N 15 118.004 0.095 . 1 . . . A 158 LEU N . 18717 1 478 . 1 1 43 43 MET H H 1 9.074 0.002 . 1 . . . A 159 MET H . 18717 1 479 . 1 1 43 43 MET HA H 1 4.070 0.003 . 1 . . . A 159 MET HA . 18717 1 480 . 1 1 43 43 MET HB2 H 1 2.201 0.001 . 2 . . . A 159 MET HB2 . 18717 1 481 . 1 1 43 43 MET HB3 H 1 1.944 0.003 . 2 . . . A 159 MET HB3 . 18717 1 482 . 1 1 43 43 MET HG3 H 1 2.522 0.003 . 1 . . . A 159 MET HG3 . 18717 1 483 . 1 1 43 43 MET C C 13 179.283 0.010 . 1 . . . A 159 MET C . 18717 1 484 . 1 1 43 43 MET CA C 13 57.664 0.013 . 1 . . . A 159 MET CA . 18717 1 485 . 1 1 43 43 MET CB C 13 30.833 0.034 . 1 . . . A 159 MET CB . 18717 1 486 . 1 1 43 43 MET CG C 13 32.203 0.000 . 1 . . . A 159 MET CG . 18717 1 487 . 1 1 43 43 MET N N 15 121.822 0.079 . 1 . . . A 159 MET N . 18717 1 488 . 1 1 44 44 LYS H H 1 7.680 0.003 . 1 . . . A 160 LYS H . 18717 1 489 . 1 1 44 44 LYS HA H 1 3.865 0.000 . 1 . . . A 160 LYS HA . 18717 1 490 . 1 1 44 44 LYS HB2 H 1 1.810 0.005 . 2 . . . A 160 LYS HB2 . 18717 1 491 . 1 1 44 44 LYS HB3 H 1 1.765 0.000 . 2 . . . A 160 LYS HB3 . 18717 1 492 . 1 1 44 44 LYS HD2 H 1 1.646 0.000 . 2 . . . A 160 LYS HD2 . 18717 1 493 . 1 1 44 44 LYS HD3 H 1 1.522 0.000 . 2 . . . A 160 LYS HD3 . 18717 1 494 . 1 1 44 44 LYS C C 13 178.949 0.000 . 1 . . . A 160 LYS C . 18717 1 495 . 1 1 44 44 LYS CA C 13 59.484 0.000 . 1 . . . A 160 LYS CA . 18717 1 496 . 1 1 44 44 LYS CB C 13 31.525 0.000 . 1 . . . A 160 LYS CB . 18717 1 497 . 1 1 44 44 LYS N N 15 122.214 0.108 . 1 . . . A 160 LYS N . 18717 1 498 . 1 1 45 45 LYS H H 1 7.973 0.000 . 1 . . . A 161 LYS H . 18717 1 499 . 1 1 45 45 LYS CA C 13 59.502 0.000 . 1 . . . A 161 LYS CA . 18717 1 500 . 1 1 45 45 LYS CB C 13 30.935 0.000 . 1 . . . A 161 LYS CB . 18717 1 501 . 1 1 45 45 LYS CG C 13 24.866 0.000 . 1 . . . A 161 LYS CG . 18717 1 502 . 1 1 45 45 LYS CD C 13 27.853 0.000 . 1 . . . A 161 LYS CD . 18717 1 503 . 1 1 45 45 LYS CE C 13 41.105 0.000 . 1 . . . A 161 LYS CE . 18717 1 504 . 1 1 46 46 SER H H 1 8.467 0.001 . 1 . . . A 162 SER H . 18717 1 505 . 1 1 46 46 SER HA H 1 3.747 0.003 . 1 . . . A 162 SER HA . 18717 1 506 . 1 1 46 46 SER HB2 H 1 3.918 0.005 . 2 . . . A 162 SER HB2 . 18717 1 507 . 1 1 46 46 SER HB3 H 1 3.859 0.007 . 2 . . . A 162 SER HB3 . 18717 1 508 . 1 1 46 46 SER C C 13 177.383 0.002 . 1 . . . A 162 SER C . 18717 1 509 . 1 1 46 46 SER CA C 13 61.358 0.000 . 1 . . . A 162 SER CA . 18717 1 510 . 1 1 46 46 SER CB C 13 62.674 0.000 . 1 . . . A 162 SER CB . 18717 1 511 . 1 1 46 46 SER N N 15 113.452 0.086 . 1 . . . A 162 SER N . 18717 1 512 . 1 1 47 47 LYS H H 1 7.659 0.001 . 1 . . . A 163 LYS H . 18717 1 513 . 1 1 47 47 LYS HA H 1 3.955 0.000 . 1 . . . A 163 LYS HA . 18717 1 514 . 1 1 47 47 LYS HB2 H 1 1.909 0.000 . 2 . . . A 163 LYS HB2 . 18717 1 515 . 1 1 47 47 LYS HB3 H 1 1.864 0.000 . 2 . . . A 163 LYS HB3 . 18717 1 516 . 1 1 47 47 LYS HG2 H 1 1.494 0.000 . 2 . . . A 163 LYS HG2 . 18717 1 517 . 1 1 47 47 LYS HG3 H 1 1.313 0.003 . 2 . . . A 163 LYS HG3 . 18717 1 518 . 1 1 47 47 LYS C C 13 179.580 0.007 . 1 . . . A 163 LYS C . 18717 1 519 . 1 1 47 47 LYS CA C 13 58.814 0.000 . 1 . . . A 163 LYS CA . 18717 1 520 . 1 1 47 47 LYS CB C 13 32.013 0.000 . 1 . . . A 163 LYS CB . 18717 1 521 . 1 1 47 47 LYS CG C 13 25.015 0.000 . 1 . . . A 163 LYS CG . 18717 1 522 . 1 1 47 47 LYS N N 15 120.209 0.045 . 1 . . . A 163 LYS N . 18717 1 523 . 1 1 48 48 ILE H H 1 7.802 0.002 . 1 . . . A 164 ILE H . 18717 1 524 . 1 1 48 48 ILE HA H 1 3.463 0.003 . 1 . . . A 164 ILE HA . 18717 1 525 . 1 1 48 48 ILE HB H 1 2.017 0.001 . 1 . . . A 164 ILE HB . 18717 1 526 . 1 1 48 48 ILE HD11 H 1 0.846 0.008 . 1 . . . A 164 ILE HD11 . 18717 1 527 . 1 1 48 48 ILE HD12 H 1 0.846 0.008 . 1 . . . A 164 ILE HD12 . 18717 1 528 . 1 1 48 48 ILE HD13 H 1 0.846 0.008 . 1 . . . A 164 ILE HD13 . 18717 1 529 . 1 1 48 48 ILE C C 13 178.589 0.005 . 1 . . . A 164 ILE C . 18717 1 530 . 1 1 48 48 ILE CA C 13 66.092 0.000 . 1 . . . A 164 ILE CA . 18717 1 531 . 1 1 48 48 ILE CB C 13 37.947 0.015 . 1 . . . A 164 ILE CB . 18717 1 532 . 1 1 48 48 ILE CD1 C 13 13.804 0.191 . 1 . . . A 164 ILE CD1 . 18717 1 533 . 1 1 48 48 ILE N N 15 120.645 0.077 . 1 . . . A 164 ILE N . 18717 1 534 . 1 1 49 49 LEU H H 1 8.669 0.002 . 1 . . . A 165 LEU H . 18717 1 535 . 1 1 49 49 LEU HA H 1 4.065 0.001 . 1 . . . A 165 LEU HA . 18717 1 536 . 1 1 49 49 LEU HB2 H 1 1.700 0.000 . 2 . . . A 165 LEU HB2 . 18717 1 537 . 1 1 49 49 LEU HB3 H 1 1.333 0.000 . 2 . . . A 165 LEU HB3 . 18717 1 538 . 1 1 49 49 LEU HG H 1 1.798 0.001 . 1 . . . A 165 LEU HG . 18717 1 539 . 1 1 49 49 LEU HD11 H 1 0.553 0.008 . 1 . . . A 165 LEU HD11 . 18717 1 540 . 1 1 49 49 LEU HD12 H 1 0.553 0.008 . 1 . . . A 165 LEU HD12 . 18717 1 541 . 1 1 49 49 LEU HD13 H 1 0.553 0.008 . 1 . . . A 165 LEU HD13 . 18717 1 542 . 1 1 49 49 LEU HD21 H 1 0.934 0.008 . 1 . . . A 165 LEU HD21 . 18717 1 543 . 1 1 49 49 LEU HD22 H 1 0.934 0.008 . 1 . . . A 165 LEU HD22 . 18717 1 544 . 1 1 49 49 LEU HD23 H 1 0.934 0.008 . 1 . . . A 165 LEU HD23 . 18717 1 545 . 1 1 49 49 LEU C C 13 178.248 0.003 . 1 . . . A 165 LEU C . 18717 1 546 . 1 1 49 49 LEU CA C 13 57.114 0.000 . 1 . . . A 165 LEU CA . 18717 1 547 . 1 1 49 49 LEU CB C 13 41.593 0.000 . 1 . . . A 165 LEU CB . 18717 1 548 . 1 1 49 49 LEU CG C 13 26.378 0.000 . 1 . . . A 165 LEU CG . 18717 1 549 . 1 1 49 49 LEU CD1 C 13 22.158 0.123 . 1 . . . A 165 LEU CD1 . 18717 1 550 . 1 1 49 49 LEU CD2 C 13 22.249 0.091 . 1 . . . A 165 LEU CD2 . 18717 1 551 . 1 1 49 49 LEU N N 15 118.682 0.058 . 1 . . . A 165 LEU N . 18717 1 552 . 1 1 50 50 GLY H H 1 7.425 0.006 . 1 . . . A 166 GLY H . 18717 1 553 . 1 1 50 50 GLY HA2 H 1 4.129 0.000 . 2 . . . A 166 GLY HA2 . 18717 1 554 . 1 1 50 50 GLY HA3 H 1 3.632 0.000 . 2 . . . A 166 GLY HA3 . 18717 1 555 . 1 1 50 50 GLY C C 13 174.636 0.000 . 1 . . . A 166 GLY C . 18717 1 556 . 1 1 50 50 GLY CA C 13 44.546 0.023 . 1 . . . A 166 GLY CA . 18717 1 557 . 1 1 50 50 GLY N N 15 103.246 0.038 . 1 . . . A 166 GLY N . 18717 1 558 . 1 1 51 51 LYS H H 1 7.232 0.006 . 1 . . . A 167 LYS H . 18717 1 559 . 1 1 51 51 LYS HA H 1 4.268 0.001 . 1 . . . A 167 LYS HA . 18717 1 560 . 1 1 51 51 LYS HB3 H 1 1.765 0.000 . 1 . . . A 167 LYS HB3 . 18717 1 561 . 1 1 51 51 LYS HG2 H 1 1.333 0.000 . 2 . . . A 167 LYS HG2 . 18717 1 562 . 1 1 51 51 LYS HG3 H 1 1.195 0.000 . 2 . . . A 167 LYS HG3 . 18717 1 563 . 1 1 51 51 LYS HD2 H 1 1.332 0.000 . 2 . . . A 167 LYS HD2 . 18717 1 564 . 1 1 51 51 LYS HD3 H 1 1.333 0.000 . 2 . . . A 167 LYS HD3 . 18717 1 565 . 1 1 51 51 LYS C C 13 177.873 0.000 . 1 . . . A 167 LYS C . 18717 1 566 . 1 1 51 51 LYS CA C 13 57.328 0.000 . 1 . . . A 167 LYS CA . 18717 1 567 . 1 1 51 51 LYS CB C 13 34.176 0.000 . 1 . . . A 167 LYS CB . 18717 1 568 . 1 1 51 51 LYS CG C 13 26.272 0.000 . 1 . . . A 167 LYS CG . 18717 1 569 . 1 1 51 51 LYS CD C 13 30.265 0.000 . 1 . . . A 167 LYS CD . 18717 1 570 . 1 1 51 51 LYS N N 15 121.571 0.089 . 1 . . . A 167 LYS N . 18717 1 571 . 1 1 52 52 THR H H 1 8.305 0.009 . 1 . . . A 168 THR H . 18717 1 572 . 1 1 52 52 THR HA H 1 4.367 0.003 . 1 . . . A 168 THR HA . 18717 1 573 . 1 1 52 52 THR HB H 1 4.506 0.008 . 1 . . . A 168 THR HB . 18717 1 574 . 1 1 52 52 THR HG21 H 1 1.219 0.003 . 1 . . . A 168 THR HG21 . 18717 1 575 . 1 1 52 52 THR HG22 H 1 1.219 0.003 . 1 . . . A 168 THR HG22 . 18717 1 576 . 1 1 52 52 THR HG23 H 1 1.219 0.003 . 1 . . . A 168 THR HG23 . 18717 1 577 . 1 1 52 52 THR C C 13 175.993 0.000 . 1 . . . A 168 THR C . 18717 1 578 . 1 1 52 52 THR CA C 13 60.280 0.013 . 1 . . . A 168 THR CA . 18717 1 579 . 1 1 52 52 THR CB C 13 69.989 0.000 . 1 . . . A 168 THR CB . 18717 1 580 . 1 1 52 52 THR CG2 C 13 21.539 0.000 . 1 . . . A 168 THR CG2 . 18717 1 581 . 1 1 52 52 THR N N 15 112.447 0.056 . 1 . . . A 168 THR N . 18717 1 582 . 1 1 53 53 ASN H H 1 8.739 0.000 . 1 . . . A 169 ASN H . 18717 1 583 . 1 1 53 53 ASN HA H 1 4.263 0.000 . 1 . . . A 169 ASN HA . 18717 1 584 . 1 1 53 53 ASN HB2 H 1 2.804 0.000 . 2 . . . A 169 ASN HB2 . 18717 1 585 . 1 1 53 53 ASN HB3 H 1 2.719 0.000 . 2 . . . A 169 ASN HB3 . 18717 1 586 . 1 1 53 53 ASN C C 13 177.636 0.000 . 1 . . . A 169 ASN C . 18717 1 587 . 1 1 53 53 ASN CA C 13 56.566 0.000 . 1 . . . A 169 ASN CA . 18717 1 588 . 1 1 53 53 ASN CB C 13 38.190 0.000 . 1 . . . A 169 ASN CB . 18717 1 589 . 1 1 53 53 ASN N N 15 118.660 0.000 . 1 . . . A 169 ASN N . 18717 1 590 . 1 1 54 54 LYS H H 1 7.954 0.011 . 1 . . . A 170 LYS H . 18717 1 591 . 1 1 54 54 LYS HA H 1 4.084 0.000 . 1 . . . A 170 LYS HA . 18717 1 592 . 1 1 54 54 LYS HB2 H 1 1.752 0.000 . 2 . . . A 170 LYS HB2 . 18717 1 593 . 1 1 54 54 LYS HB3 H 1 1.710 0.000 . 2 . . . A 170 LYS HB3 . 18717 1 594 . 1 1 54 54 LYS HG3 H 1 1.406 0.000 . 1 . . . A 170 LYS HG3 . 18717 1 595 . 1 1 54 54 LYS C C 13 177.333 0.000 . 1 . . . A 170 LYS C . 18717 1 596 . 1 1 54 54 LYS CA C 13 57.551 0.000 . 1 . . . A 170 LYS CA . 18717 1 597 . 1 1 54 54 LYS CB C 13 32.378 0.000 . 1 . . . A 170 LYS CB . 18717 1 598 . 1 1 54 54 LYS CG C 13 24.838 0.000 . 1 . . . A 170 LYS CG . 18717 1 599 . 1 1 54 54 LYS N N 15 116.227 0.039 . 1 . . . A 170 LYS N . 18717 1 600 . 1 1 55 55 GLN H H 1 7.496 0.007 . 1 . . . A 171 GLN H . 18717 1 601 . 1 1 55 55 GLN HA H 1 4.183 0.000 . 1 . . . A 171 GLN HA . 18717 1 602 . 1 1 55 55 GLN C C 13 176.690 0.002 . 1 . . . A 171 GLN C . 18717 1 603 . 1 1 55 55 GLN CA C 13 55.621 0.006 . 1 . . . A 171 GLN CA . 18717 1 604 . 1 1 55 55 GLN CB C 13 30.523 0.000 . 1 . . . A 171 GLN CB . 18717 1 605 . 1 1 55 55 GLN N N 15 116.351 0.075 . 1 . . . A 171 GLN N . 18717 1 606 . 1 1 56 56 LEU H H 1 7.142 0.007 . 1 . . . A 172 LEU H . 18717 1 607 . 1 1 56 56 LEU HA H 1 4.447 0.002 . 1 . . . A 172 LEU HA . 18717 1 608 . 1 1 56 56 LEU HB3 H 1 1.820 0.000 . 1 . . . A 172 LEU HB3 . 18717 1 609 . 1 1 56 56 LEU HG H 1 1.243 0.001 . 1 . . . A 172 LEU HG . 18717 1 610 . 1 1 56 56 LEU HD11 H 1 0.794 0.000 . 1 . . . A 172 LEU HD11 . 18717 1 611 . 1 1 56 56 LEU HD12 H 1 0.794 0.000 . 1 . . . A 172 LEU HD12 . 18717 1 612 . 1 1 56 56 LEU HD13 H 1 0.794 0.000 . 1 . . . A 172 LEU HD13 . 18717 1 613 . 1 1 56 56 LEU HD21 H 1 0.819 0.007 . 1 . . . A 172 LEU HD21 . 18717 1 614 . 1 1 56 56 LEU HD22 H 1 0.819 0.007 . 1 . . . A 172 LEU HD22 . 18717 1 615 . 1 1 56 56 LEU HD23 H 1 0.819 0.007 . 1 . . . A 172 LEU HD23 . 18717 1 616 . 1 1 56 56 LEU C C 13 178.069 0.003 . 1 . . . A 172 LEU C . 18717 1 617 . 1 1 56 56 LEU CA C 13 55.325 0.016 . 1 . . . A 172 LEU CA . 18717 1 618 . 1 1 56 56 LEU CB C 13 43.024 0.010 . 1 . . . A 172 LEU CB . 18717 1 619 . 1 1 56 56 LEU CG C 13 25.888 0.000 . 1 . . . A 172 LEU CG . 18717 1 620 . 1 1 56 56 LEU CD1 C 13 24.627 0.019 . 1 . . . A 172 LEU CD1 . 18717 1 621 . 1 1 56 56 LEU CD2 C 13 24.733 0.131 . 1 . . . A 172 LEU CD2 . 18717 1 622 . 1 1 56 56 LEU N N 15 119.981 0.054 . 1 . . . A 172 LEU N . 18717 1 623 . 1 1 57 57 THR H H 1 8.995 0.012 . 1 . . . A 173 THR H . 18717 1 624 . 1 1 57 57 THR HA H 1 4.498 0.004 . 1 . . . A 173 THR HA . 18717 1 625 . 1 1 57 57 THR HB H 1 4.637 0.000 . 1 . . . A 173 THR HB . 18717 1 626 . 1 1 57 57 THR HG21 H 1 1.235 0.005 . 1 . . . A 173 THR HG21 . 18717 1 627 . 1 1 57 57 THR HG22 H 1 1.235 0.005 . 1 . . . A 173 THR HG22 . 18717 1 628 . 1 1 57 57 THR HG23 H 1 1.235 0.005 . 1 . . . A 173 THR HG23 . 18717 1 629 . 1 1 57 57 THR C C 13 175.354 0.000 . 1 . . . A 173 THR C . 18717 1 630 . 1 1 57 57 THR CA C 13 59.638 0.006 . 1 . . . A 173 THR CA . 18717 1 631 . 1 1 57 57 THR CB C 13 71.233 0.000 . 1 . . . A 173 THR CB . 18717 1 632 . 1 1 57 57 THR CG2 C 13 21.546 0.000 . 1 . . . A 173 THR CG2 . 18717 1 633 . 1 1 57 57 THR N N 15 115.645 0.044 . 1 . . . A 173 THR N . 18717 1 634 . 1 1 58 58 ARG H H 1 8.784 0.002 . 1 . . . A 174 ARG H . 18717 1 635 . 1 1 58 58 ARG HA H 1 3.877 0.001 . 1 . . . A 174 ARG HA . 18717 1 636 . 1 1 58 58 ARG HB2 H 1 1.865 0.000 . 2 . . . A 174 ARG HB2 . 18717 1 637 . 1 1 58 58 ARG HB3 H 1 1.774 0.002 . 2 . . . A 174 ARG HB3 . 18717 1 638 . 1 1 58 58 ARG HG2 H 1 1.655 0.000 . 2 . . . A 174 ARG HG2 . 18717 1 639 . 1 1 58 58 ARG HG3 H 1 1.540 0.000 . 2 . . . A 174 ARG HG3 . 18717 1 640 . 1 1 58 58 ARG C C 13 179.012 0.002 . 1 . . . A 174 ARG C . 18717 1 641 . 1 1 58 58 ARG CA C 13 59.817 0.017 . 1 . . . A 174 ARG CA . 18717 1 642 . 1 1 58 58 ARG CB C 13 29.331 0.000 . 1 . . . A 174 ARG CB . 18717 1 643 . 1 1 58 58 ARG CG C 13 26.649 0.000 . 1 . . . A 174 ARG CG . 18717 1 644 . 1 1 58 58 ARG N N 15 121.160 0.045 . 1 . . . A 174 ARG N . 18717 1 645 . 1 1 59 59 SER H H 1 8.201 0.005 . 1 . . . A 175 SER H . 18717 1 646 . 1 1 59 59 SER HA H 1 4.116 0.002 . 1 . . . A 175 SER HA . 18717 1 647 . 1 1 59 59 SER HB2 H 1 3.801 0.000 . 2 . . . A 175 SER HB2 . 18717 1 648 . 1 1 59 59 SER HB3 H 1 3.740 0.000 . 2 . . . A 175 SER HB3 . 18717 1 649 . 1 1 59 59 SER C C 13 176.887 0.009 . 1 . . . A 175 SER C . 18717 1 650 . 1 1 59 59 SER CA C 13 60.988 0.012 . 1 . . . A 175 SER CA . 18717 1 651 . 1 1 59 59 SER CB C 13 62.156 0.000 . 1 . . . A 175 SER CB . 18717 1 652 . 1 1 59 59 SER N N 15 113.852 0.056 . 1 . . . A 175 SER N . 18717 1 653 . 1 1 60 60 ASP H H 1 7.630 0.010 . 1 . . . A 176 ASP H . 18717 1 654 . 1 1 60 60 ASP HA H 1 4.051 0.001 . 1 . . . A 176 ASP HA . 18717 1 655 . 1 1 60 60 ASP HB2 H 1 2.907 0.004 . 2 . . . A 176 ASP HB2 . 18717 1 656 . 1 1 60 60 ASP HB3 H 1 2.403 0.002 . 2 . . . A 176 ASP HB3 . 18717 1 657 . 1 1 60 60 ASP C C 13 177.447 0.001 . 1 . . . A 176 ASP C . 18717 1 658 . 1 1 60 60 ASP CA C 13 56.538 0.000 . 1 . . . A 176 ASP CA . 18717 1 659 . 1 1 60 60 ASP CB C 13 41.978 0.000 . 1 . . . A 176 ASP CB . 18717 1 660 . 1 1 60 60 ASP N N 15 122.734 0.076 . 1 . . . A 176 ASP N . 18717 1 661 . 1 1 61 61 ARG H H 1 7.970 0.005 . 1 . . . A 177 ARG H . 18717 1 662 . 1 1 61 61 ARG HA H 1 3.719 0.000 . 1 . . . A 177 ARG HA . 18717 1 663 . 1 1 61 61 ARG HB2 H 1 1.788 0.000 . 2 . . . A 177 ARG HB2 . 18717 1 664 . 1 1 61 61 ARG HB3 H 1 1.712 0.000 . 2 . . . A 177 ARG HB3 . 18717 1 665 . 1 1 61 61 ARG HG3 H 1 1.498 0.000 . 1 . . . A 177 ARG HG3 . 18717 1 666 . 1 1 61 61 ARG HD2 H 1 3.175 0.002 . 2 . . . A 177 ARG HD2 . 18717 1 667 . 1 1 61 61 ARG HD3 H 1 3.000 0.004 . 2 . . . A 177 ARG HD3 . 18717 1 668 . 1 1 61 61 ARG C C 13 178.226 0.002 . 1 . . . A 177 ARG C . 18717 1 669 . 1 1 61 61 ARG CA C 13 59.537 0.000 . 1 . . . A 177 ARG CA . 18717 1 670 . 1 1 61 61 ARG CB C 13 29.604 0.005 . 1 . . . A 177 ARG CB . 18717 1 671 . 1 1 61 61 ARG CG C 13 28.572 0.000 . 1 . . . A 177 ARG CG . 18717 1 672 . 1 1 61 61 ARG CD C 13 42.995 0.000 . 1 . . . A 177 ARG CD . 18717 1 673 . 1 1 61 61 ARG N N 15 117.151 0.120 . 1 . . . A 177 ARG N . 18717 1 674 . 1 1 62 62 GLU H H 1 7.558 0.003 . 1 . . . A 178 GLU H . 18717 1 675 . 1 1 62 62 GLU HA H 1 3.942 0.000 . 1 . . . A 178 GLU HA . 18717 1 676 . 1 1 62 62 GLU HB2 H 1 1.945 0.000 . 2 . . . A 178 GLU HB2 . 18717 1 677 . 1 1 62 62 GLU HB3 H 1 2.065 0.000 . 2 . . . A 178 GLU HB3 . 18717 1 678 . 1 1 62 62 GLU HG3 H 1 2.349 0.000 . 1 . . . A 178 GLU HG3 . 18717 1 679 . 1 1 62 62 GLU C C 13 179.219 0.000 . 1 . . . A 178 GLU C . 18717 1 680 . 1 1 62 62 GLU CA C 13 59.036 0.000 . 1 . . . A 178 GLU CA . 18717 1 681 . 1 1 62 62 GLU CB C 13 29.483 0.000 . 1 . . . A 178 GLU CB . 18717 1 682 . 1 1 62 62 GLU CG C 13 35.993 0.000 . 1 . . . A 178 GLU CG . 18717 1 683 . 1 1 62 62 GLU N N 15 118.317 0.070 . 1 . . . A 178 GLU N . 18717 1 684 . 1 1 63 63 VAL H H 1 7.405 0.007 . 1 . . . A 179 VAL H . 18717 1 685 . 1 1 63 63 VAL HA H 1 3.583 0.003 . 1 . . . A 179 VAL HA . 18717 1 686 . 1 1 63 63 VAL HB H 1 1.462 0.002 . 1 . . . A 179 VAL HB . 18717 1 687 . 1 1 63 63 VAL HG11 H 1 0.412 0.002 . 1 . . . A 179 VAL HG11 . 18717 1 688 . 1 1 63 63 VAL HG12 H 1 0.412 0.002 . 1 . . . A 179 VAL HG12 . 18717 1 689 . 1 1 63 63 VAL HG13 H 1 0.412 0.002 . 1 . . . A 179 VAL HG13 . 18717 1 690 . 1 1 63 63 VAL HG21 H 1 0.580 0.006 . 1 . . . A 179 VAL HG21 . 18717 1 691 . 1 1 63 63 VAL HG22 H 1 0.580 0.006 . 1 . . . A 179 VAL HG22 . 18717 1 692 . 1 1 63 63 VAL HG23 H 1 0.580 0.006 . 1 . . . A 179 VAL HG23 . 18717 1 693 . 1 1 63 63 VAL C C 13 176.852 0.003 . 1 . . . A 179 VAL C . 18717 1 694 . 1 1 63 63 VAL CA C 13 64.617 0.000 . 1 . . . A 179 VAL CA . 18717 1 695 . 1 1 63 63 VAL CB C 13 30.281 0.020 . 1 . . . A 179 VAL CB . 18717 1 696 . 1 1 63 63 VAL CG2 C 13 21.195 0.017 . 1 . . . A 179 VAL CG2 . 18717 1 697 . 1 1 63 63 VAL N N 15 116.641 0.014 . 1 . . . A 179 VAL N . 18717 1 698 . 1 1 64 64 LEU H H 1 7.889 0.001 . 1 . . . A 180 LEU H . 18717 1 699 . 1 1 64 64 LEU HA H 1 3.707 0.003 . 1 . . . A 180 LEU HA . 18717 1 700 . 1 1 64 64 LEU HB2 H 1 1.600 0.000 . 2 . . . A 180 LEU HB2 . 18717 1 701 . 1 1 64 64 LEU HB3 H 1 1.411 0.000 . 2 . . . A 180 LEU HB3 . 18717 1 702 . 1 1 64 64 LEU HG H 1 1.475 0.000 . 1 . . . A 180 LEU HG . 18717 1 703 . 1 1 64 64 LEU HD11 H 1 0.830 0.000 . 1 . . . A 180 LEU HD11 . 18717 1 704 . 1 1 64 64 LEU HD12 H 1 0.830 0.000 . 1 . . . A 180 LEU HD12 . 18717 1 705 . 1 1 64 64 LEU HD13 H 1 0.830 0.000 . 1 . . . A 180 LEU HD13 . 18717 1 706 . 1 1 64 64 LEU HD21 H 1 0.953 0.008 . 1 . . . A 180 LEU HD21 . 18717 1 707 . 1 1 64 64 LEU HD22 H 1 0.953 0.008 . 1 . . . A 180 LEU HD22 . 18717 1 708 . 1 1 64 64 LEU HD23 H 1 0.953 0.008 . 1 . . . A 180 LEU HD23 . 18717 1 709 . 1 1 64 64 LEU C C 13 180.161 0.000 . 1 . . . A 180 LEU C . 18717 1 710 . 1 1 64 64 LEU CA C 13 57.867 0.014 . 1 . . . A 180 LEU CA . 18717 1 711 . 1 1 64 64 LEU CB C 13 41.936 0.029 . 1 . . . A 180 LEU CB . 18717 1 712 . 1 1 64 64 LEU CG C 13 26.701 0.000 . 1 . . . A 180 LEU CG . 18717 1 713 . 1 1 64 64 LEU CD1 C 13 24.818 0.024 . 1 . . . A 180 LEU CD1 . 18717 1 714 . 1 1 64 64 LEU CD2 C 13 24.806 0.002 . 1 . . . A 180 LEU CD2 . 18717 1 715 . 1 1 64 64 LEU N N 15 121.421 0.098 . 1 . . . A 180 LEU N . 18717 1 716 . 1 1 65 65 ASP H H 1 7.850 0.005 . 1 . . . A 181 ASP H . 18717 1 717 . 1 1 65 65 ASP HA H 1 4.392 0.002 . 1 . . . A 181 ASP HA . 18717 1 718 . 1 1 65 65 ASP HB2 H 1 2.729 0.003 . 2 . . . A 181 ASP HB2 . 18717 1 719 . 1 1 65 65 ASP HB3 H 1 2.593 0.000 . 2 . . . A 181 ASP HB3 . 18717 1 720 . 1 1 65 65 ASP C C 13 179.074 0.000 . 1 . . . A 181 ASP C . 18717 1 721 . 1 1 65 65 ASP CA C 13 57.262 0.000 . 1 . . . A 181 ASP CA . 18717 1 722 . 1 1 65 65 ASP CB C 13 39.725 0.000 . 1 . . . A 181 ASP CB . 18717 1 723 . 1 1 65 65 ASP N N 15 119.139 0.103 . 1 . . . A 181 ASP N . 18717 1 724 . 1 1 66 66 ASN H H 1 7.486 0.007 . 1 . . . A 182 ASN H . 18717 1 725 . 1 1 66 66 ASN HA H 1 4.503 0.000 . 1 . . . A 182 ASN HA . 18717 1 726 . 1 1 66 66 ASN HB2 H 1 2.935 0.000 . 2 . . . A 182 ASN HB2 . 18717 1 727 . 1 1 66 66 ASN HB3 H 1 2.839 0.004 . 2 . . . A 182 ASN HB3 . 18717 1 728 . 1 1 66 66 ASN C C 13 178.621 0.009 . 1 . . . A 182 ASN C . 18717 1 729 . 1 1 66 66 ASN CA C 13 56.090 0.000 . 1 . . . A 182 ASN CA . 18717 1 730 . 1 1 66 66 ASN CB C 13 38.019 0.018 . 1 . . . A 182 ASN CB . 18717 1 731 . 1 1 66 66 ASN N N 15 120.173 0.149 . 1 . . . A 182 ASN N . 18717 1 732 . 1 1 67 67 TRP H H 1 8.731 0.001 . 1 . . . A 183 TRP H . 18717 1 733 . 1 1 67 67 TRP HA H 1 4.499 0.002 . 1 . . . A 183 TRP HA . 18717 1 734 . 1 1 67 67 TRP HB2 H 1 3.532 0.000 . 2 . . . A 183 TRP HB2 . 18717 1 735 . 1 1 67 67 TRP HB3 H 1 3.382 0.000 . 2 . . . A 183 TRP HB3 . 18717 1 736 . 1 1 67 67 TRP HD1 H 1 7.207 0.000 . 1 . . . A 183 TRP HD1 . 18717 1 737 . 1 1 67 67 TRP HE1 H 1 10.480 0.000 . 1 . . . A 183 TRP HE1 . 18717 1 738 . 1 1 67 67 TRP C C 13 179.359 0.000 . 1 . . . A 183 TRP C . 18717 1 739 . 1 1 67 67 TRP CA C 13 58.287 0.003 . 1 . . . A 183 TRP CA . 18717 1 740 . 1 1 67 67 TRP CB C 13 28.099 0.001 . 1 . . . A 183 TRP CB . 18717 1 741 . 1 1 67 67 TRP N N 15 122.775 0.093 . 1 . . . A 183 TRP N . 18717 1 742 . 1 1 68 68 ARG H H 1 7.976 0.001 . 1 . . . A 184 ARG H . 18717 1 743 . 1 1 68 68 ARG HA H 1 4.844 0.000 . 1 . . . A 184 ARG HA . 18717 1 744 . 1 1 68 68 ARG HD2 H 1 3.527 0.004 . 2 . . . A 184 ARG HD2 . 18717 1 745 . 1 1 68 68 ARG HD3 H 1 3.376 0.000 . 2 . . . A 184 ARG HD3 . 18717 1 746 . 1 1 68 68 ARG C C 13 179.433 0.000 . 1 . . . A 184 ARG C . 18717 1 747 . 1 1 68 68 ARG CA C 13 58.177 0.024 . 1 . . . A 184 ARG CA . 18717 1 748 . 1 1 68 68 ARG CB C 13 28.306 0.000 . 1 . . . A 184 ARG CB . 18717 1 749 . 1 1 68 68 ARG CD C 13 42.815 0.000 . 1 . . . A 184 ARG CD . 18717 1 750 . 1 1 68 68 ARG N N 15 120.275 0.000 . 1 . . . A 184 ARG N . 18717 1 751 . 1 1 69 69 GLU H H 1 8.674 0.003 . 1 . . . A 185 GLU H . 18717 1 752 . 1 1 69 69 GLU HA H 1 4.282 0.000 . 1 . . . A 185 GLU HA . 18717 1 753 . 1 1 69 69 GLU HG2 H 1 2.399 0.000 . 2 . . . A 185 GLU HG2 . 18717 1 754 . 1 1 69 69 GLU HG3 H 1 2.237 0.003 . 2 . . . A 185 GLU HG3 . 18717 1 755 . 1 1 69 69 GLU C C 13 179.099 0.009 . 1 . . . A 185 GLU C . 18717 1 756 . 1 1 69 69 GLU CA C 13 59.305 0.000 . 1 . . . A 185 GLU CA . 18717 1 757 . 1 1 69 69 GLU CB C 13 29.982 0.000 . 1 . . . A 185 GLU CB . 18717 1 758 . 1 1 69 69 GLU CG C 13 36.162 0.000 . 1 . . . A 185 GLU CG . 18717 1 759 . 1 1 69 69 GLU N N 15 121.625 0.067 . 1 . . . A 185 GLU N . 18717 1 760 . 1 1 70 70 LEU H H 1 7.967 0.004 . 1 . . . A 186 LEU H . 18717 1 761 . 1 1 70 70 LEU HA H 1 4.135 0.000 . 1 . . . A 186 LEU HA . 18717 1 762 . 1 1 70 70 LEU HB2 H 1 2.395 0.005 . 2 . . . A 186 LEU HB2 . 18717 1 763 . 1 1 70 70 LEU HB3 H 1 1.782 0.000 . 2 . . . A 186 LEU HB3 . 18717 1 764 . 1 1 70 70 LEU HG H 1 2.058 0.001 . 1 . . . A 186 LEU HG . 18717 1 765 . 1 1 70 70 LEU HD11 H 1 1.237 0.004 . 1 . . . A 186 LEU HD11 . 18717 1 766 . 1 1 70 70 LEU HD12 H 1 1.237 0.004 . 1 . . . A 186 LEU HD12 . 18717 1 767 . 1 1 70 70 LEU HD13 H 1 1.237 0.004 . 1 . . . A 186 LEU HD13 . 18717 1 768 . 1 1 70 70 LEU HD21 H 1 1.035 0.007 . 1 . . . A 186 LEU HD21 . 18717 1 769 . 1 1 70 70 LEU HD22 H 1 1.035 0.007 . 1 . . . A 186 LEU HD22 . 18717 1 770 . 1 1 70 70 LEU HD23 H 1 1.035 0.007 . 1 . . . A 186 LEU HD23 . 18717 1 771 . 1 1 70 70 LEU C C 13 178.653 0.009 . 1 . . . A 186 LEU C . 18717 1 772 . 1 1 70 70 LEU CA C 13 58.001 0.000 . 1 . . . A 186 LEU CA . 18717 1 773 . 1 1 70 70 LEU CB C 13 42.370 0.000 . 1 . . . A 186 LEU CB . 18717 1 774 . 1 1 70 70 LEU CG C 13 26.858 0.000 . 1 . . . A 186 LEU CG . 18717 1 775 . 1 1 70 70 LEU CD1 C 13 25.928 0.000 . 1 . . . A 186 LEU CD1 . 18717 1 776 . 1 1 70 70 LEU CD2 C 13 24.058 0.020 . 1 . . . A 186 LEU CD2 . 18717 1 777 . 1 1 70 70 LEU N N 15 120.019 0.093 . 1 . . . A 186 LEU N . 18717 1 778 . 1 1 71 71 GLU H H 1 8.277 0.001 . 1 . . . A 187 GLU H . 18717 1 779 . 1 1 71 71 GLU HA H 1 3.568 0.003 . 1 . . . A 187 GLU HA . 18717 1 780 . 1 1 71 71 GLU HB2 H 1 2.112 0.006 . 1 . . . A 187 GLU HB2 . 18717 1 781 . 1 1 71 71 GLU HG3 H 1 2.371 0.001 . 1 . . . A 187 GLU HG3 . 18717 1 782 . 1 1 71 71 GLU C C 13 179.810 0.000 . 1 . . . A 187 GLU C . 18717 1 783 . 1 1 71 71 GLU CA C 13 59.318 0.001 . 1 . . . A 187 GLU CA . 18717 1 784 . 1 1 71 71 GLU CB C 13 30.170 0.000 . 1 . . . A 187 GLU CB . 18717 1 785 . 1 1 71 71 GLU CG C 13 36.392 0.000 . 1 . . . A 187 GLU CG . 18717 1 786 . 1 1 71 71 GLU N N 15 118.314 0.045 . 1 . . . A 187 GLU N . 18717 1 787 . 1 1 72 72 MET H H 1 7.969 0.004 . 1 . . . A 188 MET H . 18717 1 788 . 1 1 72 72 MET HA H 1 4.163 0.000 . 1 . . . A 188 MET HA . 18717 1 789 . 1 1 72 72 MET HB2 H 1 2.748 0.000 . 2 . . . A 188 MET HB2 . 18717 1 790 . 1 1 72 72 MET HB3 H 1 2.609 0.000 . 2 . . . A 188 MET HB3 . 18717 1 791 . 1 1 72 72 MET HG2 H 1 2.247 0.000 . 2 . . . A 188 MET HG2 . 18717 1 792 . 1 1 72 72 MET HG3 H 1 2.147 0.000 . 2 . . . A 188 MET HG3 . 18717 1 793 . 1 1 72 72 MET C C 13 179.407 0.010 . 1 . . . A 188 MET C . 18717 1 794 . 1 1 72 72 MET CA C 13 57.906 0.004 . 1 . . . A 188 MET CA . 18717 1 795 . 1 1 72 72 MET CB C 13 32.006 0.000 . 1 . . . A 188 MET CB . 18717 1 796 . 1 1 72 72 MET N N 15 117.886 0.058 . 1 . . . A 188 MET N . 18717 1 797 . 1 1 73 73 LYS H H 1 7.960 0.003 . 1 . . . A 189 LYS H . 18717 1 798 . 1 1 73 73 LYS HA H 1 4.057 0.000 . 1 . . . A 189 LYS HA . 18717 1 799 . 1 1 73 73 LYS HB2 H 1 2.102 0.001 . 2 . . . A 189 LYS HB2 . 18717 1 800 . 1 1 73 73 LYS HB3 H 1 1.927 0.000 . 2 . . . A 189 LYS HB3 . 18717 1 801 . 1 1 73 73 LYS HG2 H 1 1.720 0.000 . 2 . . . A 189 LYS HG2 . 18717 1 802 . 1 1 73 73 LYS HG3 H 1 1.491 0.000 . 2 . . . A 189 LYS HG3 . 18717 1 803 . 1 1 73 73 LYS C C 13 177.449 0.006 . 1 . . . A 189 LYS C . 18717 1 804 . 1 1 73 73 LYS CA C 13 58.117 0.000 . 1 . . . A 189 LYS CA . 18717 1 805 . 1 1 73 73 LYS CB C 13 32.393 0.025 . 1 . . . A 189 LYS CB . 18717 1 806 . 1 1 73 73 LYS CG C 13 25.725 0.000 . 1 . . . A 189 LYS CG . 18717 1 807 . 1 1 73 73 LYS N N 15 119.827 0.055 . 1 . . . A 189 LYS N . 18717 1 808 . 1 1 74 74 ALA H H 1 7.509 0.006 . 1 . . . A 190 ALA H . 18717 1 809 . 1 1 74 74 ALA HA H 1 4.017 0.000 . 1 . . . A 190 ALA HA . 18717 1 810 . 1 1 74 74 ALA HB1 H 1 0.936 0.001 . 1 . . . A 190 ALA HB1 . 18717 1 811 . 1 1 74 74 ALA HB2 H 1 0.936 0.001 . 1 . . . A 190 ALA HB2 . 18717 1 812 . 1 1 74 74 ALA HB3 H 1 0.936 0.001 . 1 . . . A 190 ALA HB3 . 18717 1 813 . 1 1 74 74 ALA C C 13 177.516 0.000 . 1 . . . A 190 ALA C . 18717 1 814 . 1 1 74 74 ALA CA C 13 53.110 0.000 . 1 . . . A 190 ALA CA . 18717 1 815 . 1 1 74 74 ALA CB C 13 18.496 0.000 . 1 . . . A 190 ALA CB . 18717 1 816 . 1 1 74 74 ALA N N 15 120.564 0.059 . 1 . . . A 190 ALA N . 18717 1 817 . 1 1 75 75 ARG H H 1 7.555 0.005 . 1 . . . A 191 ARG H . 18717 1 818 . 1 1 75 75 ARG HA H 1 3.805 0.001 . 1 . . . A 191 ARG HA . 18717 1 819 . 1 1 75 75 ARG C C 13 175.141 0.000 . 1 . . . A 191 ARG C . 18717 1 820 . 1 1 75 75 ARG CA C 13 57.373 0.000 . 1 . . . A 191 ARG CA . 18717 1 821 . 1 1 75 75 ARG CB C 13 27.396 0.000 . 1 . . . A 191 ARG CB . 18717 1 822 . 1 1 75 75 ARG N N 15 111.864 0.059 . 1 . . . A 191 ARG N . 18717 1 823 . 1 1 76 76 LYS H H 1 7.810 0.001 . 1 . . . A 192 LYS H . 18717 1 824 . 1 1 76 76 LYS HA H 1 4.114 0.001 . 1 . . . A 192 LYS HA . 18717 1 825 . 1 1 76 76 LYS HB2 H 1 1.748 0.000 . 2 . . . A 192 LYS HB2 . 18717 1 826 . 1 1 76 76 LYS HB3 H 1 1.644 0.008 . 2 . . . A 192 LYS HB3 . 18717 1 827 . 1 1 76 76 LYS HD2 H 1 1.182 0.000 . 2 . . . A 192 LYS HD2 . 18717 1 828 . 1 1 76 76 LYS HD3 H 1 1.047 0.000 . 2 . . . A 192 LYS HD3 . 18717 1 829 . 1 1 76 76 LYS C C 13 175.474 0.000 . 1 . . . A 192 LYS C . 18717 1 830 . 1 1 76 76 LYS CA C 13 55.502 0.000 . 1 . . . A 192 LYS CA . 18717 1 831 . 1 1 76 76 LYS CB C 13 32.276 0.000 . 1 . . . A 192 LYS CB . 18717 1 832 . 1 1 76 76 LYS N N 15 114.590 0.015 . 1 . . . A 192 LYS N . 18717 1 833 . 1 1 77 77 ARG H H 1 7.919 0.006 . 1 . . . A 193 ARG H . 18717 1 834 . 1 1 77 77 ARG HA H 1 4.048 0.000 . 1 . . . A 193 ARG HA . 18717 1 835 . 1 1 77 77 ARG HG2 H 1 1.524 0.000 . 2 . . . A 193 ARG HG2 . 18717 1 836 . 1 1 77 77 ARG HG3 H 1 1.451 0.000 . 2 . . . A 193 ARG HG3 . 18717 1 837 . 1 1 77 77 ARG C C 13 176.378 0.000 . 1 . . . A 193 ARG C . 18717 1 838 . 1 1 77 77 ARG CA C 13 55.690 0.000 . 1 . . . A 193 ARG CA . 18717 1 839 . 1 1 77 77 ARG CB C 13 30.476 0.000 . 1 . . . A 193 ARG CB . 18717 1 840 . 1 1 77 77 ARG N N 15 119.199 0.001 . 1 . . . A 193 ARG N . 18717 1 841 . 1 1 78 78 LEU HA H 1 4.164 0.001 . 1 . . . A 194 LEU HA . 18717 1 842 . 1 1 78 78 LEU HB2 H 1 1.095 0.001 . 2 . . . A 194 LEU HB2 . 18717 1 843 . 1 1 78 78 LEU HB3 H 1 0.910 0.001 . 2 . . . A 194 LEU HB3 . 18717 1 844 . 1 1 78 78 LEU HG H 1 1.397 0.004 . 1 . . . A 194 LEU HG . 18717 1 845 . 1 1 78 78 LEU HD11 H 1 -0.215 0.004 . 1 . . . A 194 LEU HD11 . 18717 1 846 . 1 1 78 78 LEU HD12 H 1 -0.215 0.004 . 1 . . . A 194 LEU HD12 . 18717 1 847 . 1 1 78 78 LEU HD13 H 1 -0.215 0.004 . 1 . . . A 194 LEU HD13 . 18717 1 848 . 1 1 78 78 LEU HD21 H 1 0.126 0.005 . 1 . . . A 194 LEU HD21 . 18717 1 849 . 1 1 78 78 LEU HD22 H 1 0.126 0.005 . 1 . . . A 194 LEU HD22 . 18717 1 850 . 1 1 78 78 LEU HD23 H 1 0.126 0.005 . 1 . . . A 194 LEU HD23 . 18717 1 851 . 1 1 78 78 LEU CD1 C 13 24.981 0.015 . 1 . . . A 194 LEU CD1 . 18717 1 852 . 1 1 78 78 LEU CD2 C 13 21.896 0.025 . 1 . . . A 194 LEU CD2 . 18717 1 853 . 1 1 79 79 PRO HA H 1 4.201 0.000 . 1 . . . A 195 PRO HA . 18717 1 854 . 1 1 79 79 PRO C C 13 174.852 0.000 . 1 . . . A 195 PRO C . 18717 1 855 . 1 1 80 80 THR H H 1 6.538 0.011 . 1 . . . A 196 THR H . 18717 1 856 . 1 1 80 80 THR HA H 1 4.534 0.007 . 1 . . . A 196 THR HA . 18717 1 857 . 1 1 80 80 THR HB H 1 4.005 0.013 . 1 . . . A 196 THR HB . 18717 1 858 . 1 1 80 80 THR HG21 H 1 0.697 0.008 . 1 . . . A 196 THR HG21 . 18717 1 859 . 1 1 80 80 THR HG22 H 1 0.697 0.008 . 1 . . . A 196 THR HG22 . 18717 1 860 . 1 1 80 80 THR HG23 H 1 0.697 0.008 . 1 . . . A 196 THR HG23 . 18717 1 861 . 1 1 80 80 THR C C 13 171.630 0.019 . 1 . . . A 196 THR C . 18717 1 862 . 1 1 80 80 THR CA C 13 58.081 0.000 . 1 . . . A 196 THR CA . 18717 1 863 . 1 1 80 80 THR CB C 13 67.980 0.000 . 1 . . . A 196 THR CB . 18717 1 864 . 1 1 80 80 THR CG2 C 13 19.086 0.000 . 1 . . . A 196 THR CG2 . 18717 1 865 . 1 1 80 80 THR N N 15 110.203 0.045 . 1 . . . A 196 THR N . 18717 1 866 . 1 1 81 81 THR H H 1 7.680 0.007 . 1 . . . A 197 THR H . 18717 1 867 . 1 1 81 81 THR HA H 1 4.264 0.004 . 1 . . . A 197 THR HA . 18717 1 868 . 1 1 81 81 THR HB H 1 4.167 0.006 . 1 . . . A 197 THR HB . 18717 1 869 . 1 1 81 81 THR HG21 H 1 1.217 0.002 . 1 . . . A 197 THR HG21 . 18717 1 870 . 1 1 81 81 THR HG22 H 1 1.217 0.002 . 1 . . . A 197 THR HG22 . 18717 1 871 . 1 1 81 81 THR HG23 H 1 1.217 0.002 . 1 . . . A 197 THR HG23 . 18717 1 872 . 1 1 81 81 THR C C 13 174.701 0.004 . 1 . . . A 197 THR C . 18717 1 873 . 1 1 81 81 THR CA C 13 61.767 0.000 . 1 . . . A 197 THR CA . 18717 1 874 . 1 1 81 81 THR CB C 13 68.383 0.001 . 1 . . . A 197 THR CB . 18717 1 875 . 1 1 81 81 THR CG2 C 13 23.072 0.000 . 1 . . . A 197 THR CG2 . 18717 1 876 . 1 1 81 81 THR N N 15 114.561 0.015 . 1 . . . A 197 THR N . 18717 1 877 . 1 1 82 82 LEU H H 1 8.468 0.004 . 1 . . . A 198 LEU H . 18717 1 878 . 1 1 82 82 LEU HA H 1 3.998 0.008 . 1 . . . A 198 LEU HA . 18717 1 879 . 1 1 82 82 LEU HB2 H 1 1.581 0.004 . 2 . . . A 198 LEU HB2 . 18717 1 880 . 1 1 82 82 LEU HB3 H 1 1.579 0.000 . 2 . . . A 198 LEU HB3 . 18717 1 881 . 1 1 82 82 LEU HG H 1 1.435 0.006 . 1 . . . A 198 LEU HG . 18717 1 882 . 1 1 82 82 LEU HD11 H 1 0.714 0.000 . 1 . . . A 198 LEU HD11 . 18717 1 883 . 1 1 82 82 LEU HD12 H 1 0.714 0.000 . 1 . . . A 198 LEU HD12 . 18717 1 884 . 1 1 82 82 LEU HD13 H 1 0.714 0.000 . 1 . . . A 198 LEU HD13 . 18717 1 885 . 1 1 82 82 LEU HD21 H 1 0.632 0.007 . 1 . . . A 198 LEU HD21 . 18717 1 886 . 1 1 82 82 LEU HD22 H 1 0.632 0.007 . 1 . . . A 198 LEU HD22 . 18717 1 887 . 1 1 82 82 LEU HD23 H 1 0.632 0.007 . 1 . . . A 198 LEU HD23 . 18717 1 888 . 1 1 82 82 LEU C C 13 172.201 0.000 . 1 . . . A 198 LEU C . 18717 1 889 . 1 1 82 82 LEU CA C 13 52.714 0.001 . 1 . . . A 198 LEU CA . 18717 1 890 . 1 1 82 82 LEU CB C 13 39.378 0.022 . 1 . . . A 198 LEU CB . 18717 1 891 . 1 1 82 82 LEU CG C 13 26.324 0.000 . 1 . . . A 198 LEU CG . 18717 1 892 . 1 1 82 82 LEU CD1 C 13 23.984 0.028 . 1 . . . A 198 LEU CD1 . 18717 1 893 . 1 1 82 82 LEU CD2 C 13 23.997 0.117 . 1 . . . A 198 LEU CD2 . 18717 1 894 . 1 1 82 82 LEU N N 15 127.098 0.097 . 1 . . . A 198 LEU N . 18717 1 895 . 1 1 83 83 PHE H H 1 6.377 0.006 . 1 . . . A 199 PHE H . 18717 1 896 . 1 1 83 83 PHE HA H 1 5.918 0.007 . 1 . . . A 199 PHE HA . 18717 1 897 . 1 1 83 83 PHE HB2 H 1 2.526 0.006 . 2 . . . A 199 PHE HB2 . 18717 1 898 . 1 1 83 83 PHE HB3 H 1 3.251 0.005 . 2 . . . A 199 PHE HB3 . 18717 1 899 . 1 1 83 83 PHE HD1 H 1 6.968 0.006 . 3 . . . A 199 PHE HD1 . 18717 1 900 . 1 1 83 83 PHE HD2 H 1 6.968 0.006 . 3 . . . A 199 PHE HD2 . 18717 1 901 . 1 1 83 83 PHE HE1 H 1 7.312 0.009 . 3 . . . A 199 PHE HE1 . 18717 1 902 . 1 1 83 83 PHE HE2 H 1 7.312 0.009 . 3 . . . A 199 PHE HE2 . 18717 1 903 . 1 1 83 83 PHE C C 13 175.290 0.002 . 1 . . . A 199 PHE C . 18717 1 904 . 1 1 83 83 PHE CA C 13 53.664 0.000 . 1 . . . A 199 PHE CA . 18717 1 905 . 1 1 83 83 PHE CB C 13 43.093 0.001 . 1 . . . A 199 PHE CB . 18717 1 906 . 1 1 83 83 PHE CE1 C 13 130.372 0.000 . 3 . . . A 199 PHE CE1 . 18717 1 907 . 1 1 83 83 PHE CE2 C 13 130.372 0.000 . 3 . . . A 199 PHE CE2 . 18717 1 908 . 1 1 83 83 PHE N N 15 113.536 0.022 . 1 . . . A 199 PHE N . 18717 1 909 . 1 1 84 84 PHE H H 1 9.580 0.003 . 1 . . . A 200 PHE H . 18717 1 910 . 1 1 84 84 PHE HA H 1 5.271 0.005 . 1 . . . A 200 PHE HA . 18717 1 911 . 1 1 84 84 PHE HB2 H 1 3.296 0.002 . 2 . . . A 200 PHE HB2 . 18717 1 912 . 1 1 84 84 PHE HB3 H 1 3.084 0.003 . 2 . . . A 200 PHE HB3 . 18717 1 913 . 1 1 84 84 PHE HD1 H 1 7.070 0.008 . 3 . . . A 200 PHE HD1 . 18717 1 914 . 1 1 84 84 PHE HD2 H 1 7.070 0.008 . 3 . . . A 200 PHE HD2 . 18717 1 915 . 1 1 84 84 PHE HE1 H 1 7.385 0.013 . 3 . . . A 200 PHE HE1 . 18717 1 916 . 1 1 84 84 PHE HE2 H 1 7.385 0.013 . 3 . . . A 200 PHE HE2 . 18717 1 917 . 1 1 84 84 PHE C C 13 172.737 0.000 . 1 . . . A 200 PHE C . 18717 1 918 . 1 1 84 84 PHE CA C 13 55.351 0.000 . 1 . . . A 200 PHE CA . 18717 1 919 . 1 1 84 84 PHE CB C 13 43.155 0.005 . 1 . . . A 200 PHE CB . 18717 1 920 . 1 1 84 84 PHE CD1 C 13 130.731 0.000 . 3 . . . A 200 PHE CD1 . 18717 1 921 . 1 1 84 84 PHE CD2 C 13 130.731 0.000 . 3 . . . A 200 PHE CD2 . 18717 1 922 . 1 1 84 84 PHE CE1 C 13 131.851 0.000 . 3 . . . A 200 PHE CE1 . 18717 1 923 . 1 1 84 84 PHE CE2 C 13 131.851 0.000 . 3 . . . A 200 PHE CE2 . 18717 1 924 . 1 1 84 84 PHE N N 15 116.599 0.037 . 1 . . . A 200 PHE N . 18717 1 925 . 1 1 85 85 ILE H H 1 9.420 0.012 . 1 . . . A 201 ILE H . 18717 1 926 . 1 1 85 85 ILE HA H 1 5.143 0.002 . 1 . . . A 201 ILE HA . 18717 1 927 . 1 1 85 85 ILE HB H 1 2.059 0.004 . 1 . . . A 201 ILE HB . 18717 1 928 . 1 1 85 85 ILE HG12 H 1 1.251 0.000 . 2 . . . A 201 ILE HG12 . 18717 1 929 . 1 1 85 85 ILE HG13 H 1 0.974 0.007 . 2 . . . A 201 ILE HG13 . 18717 1 930 . 1 1 85 85 ILE HG21 H 1 0.629 0.003 . 1 . . . A 201 ILE HG21 . 18717 1 931 . 1 1 85 85 ILE HG22 H 1 0.629 0.003 . 1 . . . A 201 ILE HG22 . 18717 1 932 . 1 1 85 85 ILE HG23 H 1 0.629 0.003 . 1 . . . A 201 ILE HG23 . 18717 1 933 . 1 1 85 85 ILE HD11 H 1 0.792 0.006 . 1 . . . A 201 ILE HD11 . 18717 1 934 . 1 1 85 85 ILE HD12 H 1 0.792 0.006 . 1 . . . A 201 ILE HD12 . 18717 1 935 . 1 1 85 85 ILE HD13 H 1 0.792 0.006 . 1 . . . A 201 ILE HD13 . 18717 1 936 . 1 1 85 85 ILE C C 13 178.704 0.000 . 1 . . . A 201 ILE C . 18717 1 937 . 1 1 85 85 ILE CA C 13 59.286 0.000 . 1 . . . A 201 ILE CA . 18717 1 938 . 1 1 85 85 ILE CB C 13 41.287 0.000 . 1 . . . A 201 ILE CB . 18717 1 939 . 1 1 85 85 ILE CG1 C 13 25.788 0.000 . 1 . . . A 201 ILE CG1 . 18717 1 940 . 1 1 85 85 ILE CG2 C 13 17.712 0.000 . 1 . . . A 201 ILE CG2 . 18717 1 941 . 1 1 85 85 ILE CD1 C 13 14.719 0.014 . 1 . . . A 201 ILE CD1 . 18717 1 942 . 1 1 85 85 ILE N N 15 113.837 0.007 . 1 . . . A 201 ILE N . 18717 1 943 . 1 1 86 86 GLU H H 1 9.958 0.005 . 1 . . . A 202 GLU H . 18717 1 944 . 1 1 86 86 GLU HA H 1 3.624 0.002 . 1 . . . A 202 GLU HA . 18717 1 945 . 1 1 86 86 GLU HB2 H 1 2.174 0.003 . 2 . . . A 202 GLU HB2 . 18717 1 946 . 1 1 86 86 GLU HB3 H 1 2.065 0.004 . 2 . . . A 202 GLU HB3 . 18717 1 947 . 1 1 86 86 GLU HG2 H 1 1.725 0.002 . 2 . . . A 202 GLU HG2 . 18717 1 948 . 1 1 86 86 GLU HG3 H 1 1.474 0.004 . 2 . . . A 202 GLU HG3 . 18717 1 949 . 1 1 86 86 GLU C C 13 178.536 0.000 . 1 . . . A 202 GLU C . 18717 1 950 . 1 1 86 86 GLU CA C 13 60.716 0.000 . 1 . . . A 202 GLU CA . 18717 1 951 . 1 1 86 86 GLU CB C 13 29.010 0.000 . 1 . . . A 202 GLU CB . 18717 1 952 . 1 1 86 86 GLU CG C 13 35.188 0.000 . 1 . . . A 202 GLU CG . 18717 1 953 . 1 1 86 86 GLU N N 15 124.694 0.054 . 1 . . . A 202 GLU N . 18717 1 954 . 1 1 87 87 THR H H 1 7.664 0.009 . 1 . . . A 203 THR H . 18717 1 955 . 1 1 87 87 THR HA H 1 3.695 0.000 . 1 . . . A 203 THR HA . 18717 1 956 . 1 1 87 87 THR HB H 1 4.325 0.002 . 1 . . . A 203 THR HB . 18717 1 957 . 1 1 87 87 THR HG21 H 1 1.180 0.000 . 1 . . . A 203 THR HG21 . 18717 1 958 . 1 1 87 87 THR HG22 H 1 1.180 0.000 . 1 . . . A 203 THR HG22 . 18717 1 959 . 1 1 87 87 THR HG23 H 1 1.180 0.000 . 1 . . . A 203 THR HG23 . 18717 1 960 . 1 1 87 87 THR C C 13 175.123 0.000 . 1 . . . A 203 THR C . 18717 1 961 . 1 1 87 87 THR CA C 13 63.680 0.000 . 1 . . . A 203 THR CA . 18717 1 962 . 1 1 87 87 THR CB C 13 67.530 0.000 . 1 . . . A 203 THR CB . 18717 1 963 . 1 1 87 87 THR N N 15 106.316 0.030 . 1 . . . A 203 THR N . 18717 1 964 . 1 1 88 88 ASP H H 1 7.612 0.008 . 1 . . . A 204 ASP H . 18717 1 965 . 1 1 88 88 ASP HA H 1 4.213 0.002 . 1 . . . A 204 ASP HA . 18717 1 966 . 1 1 88 88 ASP HB2 H 1 2.490 0.004 . 2 . . . A 204 ASP HB2 . 18717 1 967 . 1 1 88 88 ASP HB3 H 1 0.974 0.007 . 2 . . . A 204 ASP HB3 . 18717 1 968 . 1 1 88 88 ASP C C 13 175.812 0.002 . 1 . . . A 204 ASP C . 18717 1 969 . 1 1 88 88 ASP CA C 13 56.498 0.000 . 1 . . . A 204 ASP CA . 18717 1 970 . 1 1 88 88 ASP CB C 13 41.081 0.000 . 1 . . . A 204 ASP CB . 18717 1 971 . 1 1 88 88 ASP N N 15 119.798 0.023 . 1 . . . A 204 ASP N . 18717 1 972 . 1 1 89 89 ILE H H 1 6.539 0.001 . 1 . . . A 205 ILE H . 18717 1 973 . 1 1 89 89 ILE HA H 1 3.812 0.004 . 1 . . . A 205 ILE HA . 18717 1 974 . 1 1 89 89 ILE HB H 1 1.624 0.009 . 1 . . . A 205 ILE HB . 18717 1 975 . 1 1 89 89 ILE HG12 H 1 1.403 0.000 . 2 . . . A 205 ILE HG12 . 18717 1 976 . 1 1 89 89 ILE HG13 H 1 1.367 0.009 . 2 . . . A 205 ILE HG13 . 18717 1 977 . 1 1 89 89 ILE HG21 H 1 0.996 1.639 . 1 . . . A 205 ILE HG21 . 18717 1 978 . 1 1 89 89 ILE HG22 H 1 0.996 1.639 . 1 . . . A 205 ILE HG22 . 18717 1 979 . 1 1 89 89 ILE HG23 H 1 0.996 1.639 . 1 . . . A 205 ILE HG23 . 18717 1 980 . 1 1 89 89 ILE HD11 H 1 -0.084 0.006 . 1 . . . A 205 ILE HD11 . 18717 1 981 . 1 1 89 89 ILE HD12 H 1 -0.084 0.006 . 1 . . . A 205 ILE HD12 . 18717 1 982 . 1 1 89 89 ILE HD13 H 1 -0.084 0.006 . 1 . . . A 205 ILE HD13 . 18717 1 983 . 1 1 89 89 ILE C C 13 176.999 0.009 . 1 . . . A 205 ILE C . 18717 1 984 . 1 1 89 89 ILE CA C 13 58.507 0.000 . 1 . . . A 205 ILE CA . 18717 1 985 . 1 1 89 89 ILE CB C 13 36.800 0.000 . 1 . . . A 205 ILE CB . 18717 1 986 . 1 1 89 89 ILE CG1 C 13 28.083 0.000 . 1 . . . A 205 ILE CG1 . 18717 1 987 . 1 1 89 89 ILE CG2 C 13 17.373 0.000 . 1 . . . A 205 ILE CG2 . 18717 1 988 . 1 1 89 89 ILE CD1 C 13 11.105 5.682 . 1 . . . A 205 ILE CD1 . 18717 1 989 . 1 1 89 89 ILE N N 15 113.176 0.102 . 1 . . . A 205 ILE N . 18717 1 990 . 1 1 90 90 ARG H H 1 7.724 0.004 . 1 . . . A 206 ARG H . 18717 1 991 . 1 1 90 90 ARG HA H 1 3.626 0.005 . 1 . . . A 206 ARG HA . 18717 1 992 . 1 1 90 90 ARG C C 13 174.088 0.000 . 1 . . . A 206 ARG C . 18717 1 993 . 1 1 90 90 ARG CA C 13 62.065 0.005 . 1 . . . A 206 ARG CA . 18717 1 994 . 1 1 90 90 ARG CB C 13 28.893 0.000 . 1 . . . A 206 ARG CB . 18717 1 995 . 1 1 90 90 ARG N N 15 119.478 0.040 . 1 . . . A 206 ARG N . 18717 1 996 . 1 1 91 91 PRO C C 13 177.511 0.000 . 1 . . . A 207 PRO C . 18717 1 997 . 1 1 91 91 PRO CA C 13 65.046 0.000 . 1 . . . A 207 PRO CA . 18717 1 998 . 1 1 91 91 PRO CB C 13 31.016 0.000 . 1 . . . A 207 PRO CB . 18717 1 999 . 1 1 91 91 PRO CG C 13 27.753 0.000 . 1 . . . A 207 PRO CG . 18717 1 1000 . 1 1 91 91 PRO CD C 13 50.442 0.000 . 1 . . . A 207 PRO CD . 18717 1 1001 . 1 1 92 92 MET H H 1 7.550 0.002 . 1 . . . A 208 MET H . 18717 1 1002 . 1 1 92 92 MET HA H 1 4.175 0.000 . 1 . . . A 208 MET HA . 18717 1 1003 . 1 1 92 92 MET HB2 H 1 2.069 0.000 . 2 . . . A 208 MET HB2 . 18717 1 1004 . 1 1 92 92 MET HB3 H 1 2.066 0.000 . 2 . . . A 208 MET HB3 . 18717 1 1005 . 1 1 92 92 MET HG2 H 1 2.578 0.000 . 2 . . . A 208 MET HG2 . 18717 1 1006 . 1 1 92 92 MET HG3 H 1 2.478 0.000 . 2 . . . A 208 MET HG3 . 18717 1 1007 . 1 1 92 92 MET C C 13 176.484 0.013 . 1 . . . A 208 MET C . 18717 1 1008 . 1 1 92 92 MET CA C 13 55.799 0.015 . 1 . . . A 208 MET CA . 18717 1 1009 . 1 1 92 92 MET CB C 13 33.950 0.000 . 1 . . . A 208 MET CB . 18717 1 1010 . 1 1 92 92 MET CG C 13 31.722 0.000 . 1 . . . A 208 MET CG . 18717 1 1011 . 1 1 92 92 MET N N 15 113.478 0.031 . 1 . . . A 208 MET N . 18717 1 1012 . 1 1 93 93 LEU H H 1 7.302 0.007 . 1 . . . A 209 LEU H . 18717 1 1013 . 1 1 93 93 LEU HA H 1 4.434 0.000 . 1 . . . A 209 LEU HA . 18717 1 1014 . 1 1 93 93 LEU HB2 H 1 1.804 0.003 . 2 . . . A 209 LEU HB2 . 18717 1 1015 . 1 1 93 93 LEU HB3 H 1 1.255 0.001 . 2 . . . A 209 LEU HB3 . 18717 1 1016 . 1 1 93 93 LEU HG H 1 1.497 0.000 . 1 . . . A 209 LEU HG . 18717 1 1017 . 1 1 93 93 LEU HD11 H 1 0.755 0.010 . 1 . . . A 209 LEU HD11 . 18717 1 1018 . 1 1 93 93 LEU HD12 H 1 0.755 0.010 . 1 . . . A 209 LEU HD12 . 18717 1 1019 . 1 1 93 93 LEU HD13 H 1 0.755 0.010 . 1 . . . A 209 LEU HD13 . 18717 1 1020 . 1 1 93 93 LEU HD21 H 1 0.735 0.008 . 1 . . . A 209 LEU HD21 . 18717 1 1021 . 1 1 93 93 LEU HD22 H 1 0.735 0.008 . 1 . . . A 209 LEU HD22 . 18717 1 1022 . 1 1 93 93 LEU HD23 H 1 0.735 0.008 . 1 . . . A 209 LEU HD23 . 18717 1 1023 . 1 1 93 93 LEU C C 13 176.935 0.008 . 1 . . . A 209 LEU C . 18717 1 1024 . 1 1 93 93 LEU CA C 13 52.855 0.000 . 1 . . . A 209 LEU CA . 18717 1 1025 . 1 1 93 93 LEU CB C 13 42.859 0.000 . 1 . . . A 209 LEU CB . 18717 1 1026 . 1 1 93 93 LEU CG C 13 26.079 0.000 . 1 . . . A 209 LEU CG . 18717 1 1027 . 1 1 93 93 LEU CD1 C 13 23.172 0.031 . 1 . . . A 209 LEU CD1 . 18717 1 1028 . 1 1 93 93 LEU CD2 C 13 23.209 0.029 . 1 . . . A 209 LEU CD2 . 18717 1 1029 . 1 1 93 93 LEU N N 15 117.902 0.054 . 1 . . . A 209 LEU N . 18717 1 1030 . 1 1 94 94 GLN H H 1 8.676 0.002 . 1 . . . A 210 GLN H . 18717 1 1031 . 1 1 94 94 GLN HA H 1 4.167 0.000 . 1 . . . A 210 GLN HA . 18717 1 1032 . 1 1 94 94 GLN HB2 H 1 2.167 0.000 . 2 . . . A 210 GLN HB2 . 18717 1 1033 . 1 1 94 94 GLN HB3 H 1 1.913 0.000 . 2 . . . A 210 GLN HB3 . 18717 1 1034 . 1 1 94 94 GLN HG2 H 1 2.504 0.000 . 2 . . . A 210 GLN HG2 . 18717 1 1035 . 1 1 94 94 GLN HG3 H 1 2.438 0.000 . 2 . . . A 210 GLN HG3 . 18717 1 1036 . 1 1 94 94 GLN C C 13 177.564 0.001 . 1 . . . A 210 GLN C . 18717 1 1037 . 1 1 94 94 GLN CA C 13 56.091 0.013 . 1 . . . A 210 GLN CA . 18717 1 1038 . 1 1 94 94 GLN CB C 13 29.163 0.000 . 1 . . . A 210 GLN CB . 18717 1 1039 . 1 1 94 94 GLN CG C 13 33.899 0.000 . 1 . . . A 210 GLN CG . 18717 1 1040 . 1 1 94 94 GLN N N 15 121.452 0.152 . 1 . . . A 210 GLN N . 18717 1 1041 . 1 1 95 95 ASP H H 1 8.804 0.000 . 1 . . . A 211 ASP H . 18717 1 1042 . 1 1 95 95 ASP HA H 1 3.884 0.000 . 1 . . . A 211 ASP HA . 18717 1 1043 . 1 1 95 95 ASP HB2 H 1 2.619 0.000 . 2 . . . A 211 ASP HB2 . 18717 1 1044 . 1 1 95 95 ASP HB3 H 1 2.583 0.000 . 2 . . . A 211 ASP HB3 . 18717 1 1045 . 1 1 95 95 ASP C C 13 178.989 0.000 . 1 . . . A 211 ASP C . 18717 1 1046 . 1 1 95 95 ASP CA C 13 58.493 0.000 . 1 . . . A 211 ASP CA . 18717 1 1047 . 1 1 95 95 ASP CB C 13 40.180 0.018 . 1 . . . A 211 ASP CB . 18717 1 1048 . 1 1 95 95 ASP N N 15 123.372 0.000 . 1 . . . A 211 ASP N . 18717 1 1049 . 1 1 96 96 ARG H H 1 8.653 0.002 . 1 . . . A 212 ARG H . 18717 1 1050 . 1 1 96 96 ARG HA H 1 4.089 0.000 . 1 . . . A 212 ARG HA . 18717 1 1051 . 1 1 96 96 ARG HB2 H 1 1.836 0.000 . 2 . . . A 212 ARG HB2 . 18717 1 1052 . 1 1 96 96 ARG HB3 H 1 1.750 0.000 . 2 . . . A 212 ARG HB3 . 18717 1 1053 . 1 1 96 96 ARG HG2 H 1 1.512 0.000 . 2 . . . A 212 ARG HG2 . 18717 1 1054 . 1 1 96 96 ARG HG3 H 1 1.478 0.000 . 2 . . . A 212 ARG HG3 . 18717 1 1055 . 1 1 96 96 ARG HD3 H 1 3.122 0.000 . 1 . . . A 212 ARG HD3 . 18717 1 1056 . 1 1 96 96 ARG C C 13 176.852 0.000 . 1 . . . A 212 ARG C . 18717 1 1057 . 1 1 96 96 ARG CA C 13 57.807 0.000 . 1 . . . A 212 ARG CA . 18717 1 1058 . 1 1 96 96 ARG CB C 13 29.431 0.000 . 1 . . . A 212 ARG CB . 18717 1 1059 . 1 1 96 96 ARG CG C 13 26.722 0.000 . 1 . . . A 212 ARG CG . 18717 1 1060 . 1 1 96 96 ARG CD C 13 42.918 0.000 . 1 . . . A 212 ARG CD . 18717 1 1061 . 1 1 96 96 ARG N N 15 115.305 0.074 . 1 . . . A 212 ARG N . 18717 1 1062 . 1 1 97 97 LEU H H 1 7.778 0.002 . 1 . . . A 213 LEU H . 18717 1 1063 . 1 1 97 97 LEU HA H 1 4.390 0.000 . 1 . . . A 213 LEU HA . 18717 1 1064 . 1 1 97 97 LEU HB2 H 1 1.690 0.000 . 2 . . . A 213 LEU HB2 . 18717 1 1065 . 1 1 97 97 LEU HB3 H 1 1.575 0.000 . 2 . . . A 213 LEU HB3 . 18717 1 1066 . 1 1 97 97 LEU HG H 1 1.571 0.001 . 1 . . . A 213 LEU HG . 18717 1 1067 . 1 1 97 97 LEU HD11 H 1 0.936 0.000 . 1 . . . A 213 LEU HD11 . 18717 1 1068 . 1 1 97 97 LEU HD12 H 1 0.936 0.000 . 1 . . . A 213 LEU HD12 . 18717 1 1069 . 1 1 97 97 LEU HD13 H 1 0.936 0.000 . 1 . . . A 213 LEU HD13 . 18717 1 1070 . 1 1 97 97 LEU HD21 H 1 0.876 0.008 . 1 . . . A 213 LEU HD21 . 18717 1 1071 . 1 1 97 97 LEU HD22 H 1 0.876 0.008 . 1 . . . A 213 LEU HD22 . 18717 1 1072 . 1 1 97 97 LEU HD23 H 1 0.876 0.008 . 1 . . . A 213 LEU HD23 . 18717 1 1073 . 1 1 97 97 LEU C C 13 177.465 0.012 . 1 . . . A 213 LEU C . 18717 1 1074 . 1 1 97 97 LEU CA C 13 54.411 0.000 . 1 . . . A 213 LEU CA . 18717 1 1075 . 1 1 97 97 LEU CB C 13 44.094 0.012 . 1 . . . A 213 LEU CB . 18717 1 1076 . 1 1 97 97 LEU CG C 13 27.323 0.000 . 1 . . . A 213 LEU CG . 18717 1 1077 . 1 1 97 97 LEU CD1 C 13 24.068 0.030 . 1 . . . A 213 LEU CD1 . 18717 1 1078 . 1 1 97 97 LEU CD2 C 13 24.079 0.016 . 1 . . . A 213 LEU CD2 . 18717 1 1079 . 1 1 97 97 LEU N N 15 118.479 0.020 . 1 . . . A 213 LEU N . 18717 1 1080 . 1 1 98 98 ARG H H 1 7.553 0.001 . 1 . . . A 214 ARG H . 18717 1 1081 . 1 1 98 98 ARG HA H 1 3.909 0.000 . 1 . . . A 214 ARG HA . 18717 1 1082 . 1 1 98 98 ARG C C 13 176.002 0.000 . 1 . . . A 214 ARG C . 18717 1 1083 . 1 1 98 98 ARG CA C 13 62.291 0.001 . 1 . . . A 214 ARG CA . 18717 1 1084 . 1 1 98 98 ARG CB C 13 27.825 0.000 . 1 . . . A 214 ARG CB . 18717 1 1085 . 1 1 98 98 ARG N N 15 119.863 0.000 . 1 . . . A 214 ARG N . 18717 1 1086 . 1 1 99 99 PRO C C 13 177.791 0.000 . 1 . . . A 215 PRO C . 18717 1 1087 . 1 1 99 99 PRO CA C 13 64.875 0.000 . 1 . . . A 215 PRO CA . 18717 1 1088 . 1 1 99 99 PRO CB C 13 31.223 0.000 . 1 . . . A 215 PRO CB . 18717 1 1089 . 1 1 99 99 PRO CG C 13 27.870 0.000 . 1 . . . A 215 PRO CG . 18717 1 1090 . 1 1 99 99 PRO CD C 13 50.786 0.000 . 1 . . . A 215 PRO CD . 18717 1 1091 . 1 1 100 100 SER H H 1 7.626 0.013 . 1 . . . A 216 SER H . 18717 1 1092 . 1 1 100 100 SER HA H 1 4.360 0.000 . 1 . . . A 216 SER HA . 18717 1 1093 . 1 1 100 100 SER HB2 H 1 3.942 0.001 . 2 . . . A 216 SER HB2 . 18717 1 1094 . 1 1 100 100 SER HB3 H 1 3.859 0.000 . 2 . . . A 216 SER HB3 . 18717 1 1095 . 1 1 100 100 SER C C 13 174.384 0.014 . 1 . . . A 216 SER C . 18717 1 1096 . 1 1 100 100 SER CA C 13 59.923 0.000 . 1 . . . A 216 SER CA . 18717 1 1097 . 1 1 100 100 SER CB C 13 63.304 0.012 . 1 . . . A 216 SER CB . 18717 1 1098 . 1 1 100 100 SER N N 15 111.360 0.052 . 1 . . . A 216 SER N . 18717 1 1099 . 1 1 101 101 PHE H H 1 7.725 0.004 . 1 . . . A 217 PHE H . 18717 1 1100 . 1 1 101 101 PHE HA H 1 3.707 0.002 . 1 . . . A 217 PHE HA . 18717 1 1101 . 1 1 101 101 PHE HB2 H 1 2.822 0.005 . 2 . . . A 217 PHE HB2 . 18717 1 1102 . 1 1 101 101 PHE HB3 H 1 3.290 0.004 . 2 . . . A 217 PHE HB3 . 18717 1 1103 . 1 1 101 101 PHE HD1 H 1 6.934 0.006 . 3 . . . A 217 PHE HD1 . 18717 1 1104 . 1 1 101 101 PHE HD2 H 1 6.934 0.006 . 3 . . . A 217 PHE HD2 . 18717 1 1105 . 1 1 101 101 PHE HE1 H 1 7.011 0.009 . 3 . . . A 217 PHE HE1 . 18717 1 1106 . 1 1 101 101 PHE HE2 H 1 7.011 0.009 . 3 . . . A 217 PHE HE2 . 18717 1 1107 . 1 1 101 101 PHE C C 13 175.633 0.000 . 1 . . . A 217 PHE C . 18717 1 1108 . 1 1 101 101 PHE CA C 13 62.716 0.000 . 1 . . . A 217 PHE CA . 18717 1 1109 . 1 1 101 101 PHE CB C 13 38.798 0.002 . 1 . . . A 217 PHE CB . 18717 1 1110 . 1 1 101 101 PHE CE1 C 13 130.731 0.000 . 3 . . . A 217 PHE CE1 . 18717 1 1111 . 1 1 101 101 PHE CE2 C 13 130.731 0.000 . 3 . . . A 217 PHE CE2 . 18717 1 1112 . 1 1 101 101 PHE N N 15 123.321 0.072 . 1 . . . A 217 PHE N . 18717 1 1113 . 1 1 102 102 ALA H H 1 8.527 0.003 . 1 . . . A 218 ALA H . 18717 1 1114 . 1 1 102 102 ALA HA H 1 3.877 0.002 . 1 . . . A 218 ALA HA . 18717 1 1115 . 1 1 102 102 ALA HB1 H 1 1.455 0.004 . 1 . . . A 218 ALA HB1 . 18717 1 1116 . 1 1 102 102 ALA HB2 H 1 1.455 0.004 . 1 . . . A 218 ALA HB2 . 18717 1 1117 . 1 1 102 102 ALA HB3 H 1 1.455 0.004 . 1 . . . A 218 ALA HB3 . 18717 1 1118 . 1 1 102 102 ALA C C 13 180.479 0.000 . 1 . . . A 218 ALA C . 18717 1 1119 . 1 1 102 102 ALA CA C 13 54.538 0.010 . 1 . . . A 218 ALA CA . 18717 1 1120 . 1 1 102 102 ALA CB C 13 18.130 0.001 . 1 . . . A 218 ALA CB . 18717 1 1121 . 1 1 102 102 ALA N N 15 117.406 0.095 . 1 . . . A 218 ALA N . 18717 1 1122 . 1 1 103 103 LYS H H 1 7.010 0.013 . 1 . . . A 219 LYS H . 18717 1 1123 . 1 1 103 103 LYS HA H 1 4.074 0.005 . 1 . . . A 219 LYS HA . 18717 1 1124 . 1 1 103 103 LYS HB2 H 1 2.029 0.000 . 2 . . . A 219 LYS HB2 . 18717 1 1125 . 1 1 103 103 LYS HB3 H 1 1.801 0.000 . 2 . . . A 219 LYS HB3 . 18717 1 1126 . 1 1 103 103 LYS HD2 H 1 1.621 0.000 . 2 . . . A 219 LYS HD2 . 18717 1 1127 . 1 1 103 103 LYS HD3 H 1 1.523 0.000 . 2 . . . A 219 LYS HD3 . 18717 1 1128 . 1 1 103 103 LYS C C 13 177.982 0.000 . 1 . . . A 219 LYS C . 18717 1 1129 . 1 1 103 103 LYS CA C 13 56.736 0.000 . 1 . . . A 219 LYS CA . 18717 1 1130 . 1 1 103 103 LYS CB C 13 32.047 0.000 . 1 . . . A 219 LYS CB . 18717 1 1131 . 1 1 103 103 LYS CD C 13 28.370 0.000 . 1 . . . A 219 LYS CD . 18717 1 1132 . 1 1 103 103 LYS N N 15 115.057 0.033 . 1 . . . A 219 LYS N . 18717 1 1133 . 1 1 104 104 ALA H H 1 7.955 0.001 . 1 . . . A 220 ALA H . 18717 1 1134 . 1 1 104 104 ALA HA H 1 3.809 0.001 . 1 . . . A 220 ALA HA . 18717 1 1135 . 1 1 104 104 ALA HB1 H 1 1.195 0.002 . 1 . . . A 220 ALA HB1 . 18717 1 1136 . 1 1 104 104 ALA HB2 H 1 1.195 0.002 . 1 . . . A 220 ALA HB2 . 18717 1 1137 . 1 1 104 104 ALA HB3 H 1 1.195 0.002 . 1 . . . A 220 ALA HB3 . 18717 1 1138 . 1 1 104 104 ALA C C 13 179.254 0.002 . 1 . . . A 220 ALA C . 18717 1 1139 . 1 1 104 104 ALA CA C 13 53.999 0.000 . 1 . . . A 220 ALA CA . 18717 1 1140 . 1 1 104 104 ALA CB C 13 17.915 0.000 . 1 . . . A 220 ALA CB . 18717 1 1141 . 1 1 104 104 ALA N N 15 119.918 0.073 . 1 . . . A 220 ALA N . 18717 1 1142 . 1 1 105 105 ILE H H 1 7.033 0.005 . 1 . . . A 221 ILE H . 18717 1 1143 . 1 1 105 105 ILE HA H 1 3.449 0.001 . 1 . . . A 221 ILE HA . 18717 1 1144 . 1 1 105 105 ILE HB H 1 2.072 0.005 . 1 . . . A 221 ILE HB . 18717 1 1145 . 1 1 105 105 ILE HG12 H 1 0.884 0.000 . 2 . . . A 221 ILE HG12 . 18717 1 1146 . 1 1 105 105 ILE HG13 H 1 0.820 0.000 . 2 . . . A 221 ILE HG13 . 18717 1 1147 . 1 1 105 105 ILE HG21 H 1 0.713 0.000 . 1 . . . A 221 ILE HG21 . 18717 1 1148 . 1 1 105 105 ILE HG22 H 1 0.713 0.000 . 1 . . . A 221 ILE HG22 . 18717 1 1149 . 1 1 105 105 ILE HG23 H 1 0.713 0.000 . 1 . . . A 221 ILE HG23 . 18717 1 1150 . 1 1 105 105 ILE HD11 H 1 -0.376 0.006 . 1 . . . A 221 ILE HD11 . 18717 1 1151 . 1 1 105 105 ILE HD12 H 1 -0.376 0.006 . 1 . . . A 221 ILE HD12 . 18717 1 1152 . 1 1 105 105 ILE HD13 H 1 -0.376 0.006 . 1 . . . A 221 ILE HD13 . 18717 1 1153 . 1 1 105 105 ILE C C 13 175.141 0.000 . 1 . . . A 221 ILE C . 18717 1 1154 . 1 1 105 105 ILE CA C 13 64.199 0.000 . 1 . . . A 221 ILE CA . 18717 1 1155 . 1 1 105 105 ILE CB C 13 32.997 0.000 . 1 . . . A 221 ILE CB . 18717 1 1156 . 1 1 105 105 ILE CD1 C 13 7.774 0.155 . 1 . . . A 221 ILE CD1 . 18717 1 1157 . 1 1 105 105 ILE N N 15 115.966 0.074 . 1 . . . A 221 ILE N . 18717 1 1158 . 1 1 106 106 PRO HA H 1 4.033 0.002 . 1 . . . A 222 PRO HA . 18717 1 1159 . 1 1 106 106 PRO HB2 H 1 2.294 0.010 . 2 . . . A 222 PRO HB2 . 18717 1 1160 . 1 1 106 106 PRO HB3 H 1 1.770 0.001 . 2 . . . A 222 PRO HB3 . 18717 1 1161 . 1 1 106 106 PRO C C 13 179.530 0.000 . 1 . . . A 222 PRO C . 18717 1 1162 . 1 1 106 106 PRO CA C 13 65.922 0.075 . 1 . . . A 222 PRO CA . 18717 1 1163 . 1 1 106 106 PRO CB C 13 30.963 0.010 . 1 . . . A 222 PRO CB . 18717 1 1164 . 1 1 106 106 PRO CG C 13 28.071 0.000 . 1 . . . A 222 PRO CG . 18717 1 1165 . 1 1 106 106 PRO CD C 13 49.326 0.000 . 1 . . . A 222 PRO CD . 18717 1 1166 . 1 1 107 107 CYS H H 1 6.563 0.008 . 1 . . . A 223 CYS H . 18717 1 1167 . 1 1 107 107 CYS HA H 1 3.874 0.001 . 1 . . . A 223 CYS HA . 18717 1 1168 . 1 1 107 107 CYS HB2 H 1 3.139 0.001 . 2 . . . A 223 CYS HB2 . 18717 1 1169 . 1 1 107 107 CYS HB3 H 1 2.432 0.005 . 2 . . . A 223 CYS HB3 . 18717 1 1170 . 1 1 107 107 CYS C C 13 175.998 0.009 . 1 . . . A 223 CYS C . 18717 1 1171 . 1 1 107 107 CYS CA C 13 61.937 0.000 . 1 . . . A 223 CYS CA . 18717 1 1172 . 1 1 107 107 CYS CB C 13 26.904 0.091 . 1 . . . A 223 CYS CB . 18717 1 1173 . 1 1 107 107 CYS N N 15 115.518 0.064 . 1 . . . A 223 CYS N . 18717 1 1174 . 1 1 108 108 LEU H H 1 7.955 0.004 . 1 . . . A 224 LEU H . 18717 1 1175 . 1 1 108 108 LEU HA H 1 3.854 0.001 . 1 . . . A 224 LEU HA . 18717 1 1176 . 1 1 108 108 LEU HB2 H 1 1.811 0.000 . 1 . . . A 224 LEU HB2 . 18717 1 1177 . 1 1 108 108 LEU HB3 H 1 1.864 0.000 . 1 . . . A 224 LEU HB3 . 18717 1 1178 . 1 1 108 108 LEU HG H 1 1.616 0.000 . 1 . . . A 224 LEU HG . 18717 1 1179 . 1 1 108 108 LEU HD11 H 1 0.497 0.002 . 1 . . . A 224 LEU HD11 . 18717 1 1180 . 1 1 108 108 LEU HD12 H 1 0.497 0.002 . 1 . . . A 224 LEU HD12 . 18717 1 1181 . 1 1 108 108 LEU HD13 H 1 0.497 0.002 . 1 . . . A 224 LEU HD13 . 18717 1 1182 . 1 1 108 108 LEU HD21 H 1 0.568 0.009 . 1 . . . A 224 LEU HD21 . 18717 1 1183 . 1 1 108 108 LEU HD22 H 1 0.568 0.009 . 1 . . . A 224 LEU HD22 . 18717 1 1184 . 1 1 108 108 LEU HD23 H 1 0.568 0.009 . 1 . . . A 224 LEU HD23 . 18717 1 1185 . 1 1 108 108 LEU C C 13 179.633 0.000 . 1 . . . A 224 LEU C . 18717 1 1186 . 1 1 108 108 LEU CA C 13 56.572 0.036 . 1 . . . A 224 LEU CA . 18717 1 1187 . 1 1 108 108 LEU CB C 13 41.977 0.133 . 1 . . . A 224 LEU CB . 18717 1 1188 . 1 1 108 108 LEU CD1 C 13 25.732 0.006 . 1 . . . A 224 LEU CD1 . 18717 1 1189 . 1 1 108 108 LEU CD2 C 13 23.493 0.021 . 1 . . . A 224 LEU CD2 . 18717 1 1190 . 1 1 108 108 LEU N N 15 117.929 0.162 . 1 . . . A 224 LEU N . 18717 1 1191 . 1 1 109 109 ARG H H 1 8.508 0.004 . 1 . . . A 225 ARG H . 18717 1 1192 . 1 1 109 109 ARG HA H 1 4.394 0.000 . 1 . . . A 225 ARG HA . 18717 1 1193 . 1 1 109 109 ARG HB2 H 1 1.774 0.000 . 2 . . . A 225 ARG HB2 . 18717 1 1194 . 1 1 109 109 ARG HB3 H 1 1.960 0.000 . 2 . . . A 225 ARG HB3 . 18717 1 1195 . 1 1 109 109 ARG HG2 H 1 1.701 0.000 . 2 . . . A 225 ARG HG2 . 18717 1 1196 . 1 1 109 109 ARG HG3 H 1 1.435 0.000 . 2 . . . A 225 ARG HG3 . 18717 1 1197 . 1 1 109 109 ARG HD2 H 1 3.210 0.000 . 2 . . . A 225 ARG HD2 . 18717 1 1198 . 1 1 109 109 ARG HD3 H 1 3.085 0.000 . 2 . . . A 225 ARG HD3 . 18717 1 1199 . 1 1 109 109 ARG C C 13 180.726 0.010 . 1 . . . A 225 ARG C . 18717 1 1200 . 1 1 109 109 ARG CA C 13 58.461 0.006 . 1 . . . A 225 ARG CA . 18717 1 1201 . 1 1 109 109 ARG CB C 13 30.267 0.000 . 1 . . . A 225 ARG CB . 18717 1 1202 . 1 1 109 109 ARG CG C 13 27.271 0.000 . 1 . . . A 225 ARG CG . 18717 1 1203 . 1 1 109 109 ARG CD C 13 43.593 0.000 . 1 . . . A 225 ARG CD . 18717 1 1204 . 1 1 109 109 ARG N N 15 120.546 0.064 . 1 . . . A 225 ARG N . 18717 1 1205 . 1 1 110 110 HIS H H 1 8.001 0.004 . 1 . . . A 226 HIS H . 18717 1 1206 . 1 1 110 110 HIS HA H 1 4.086 0.000 . 1 . . . A 226 HIS HA . 18717 1 1207 . 1 1 110 110 HIS HB3 H 1 3.278 0.003 . 1 . . . A 226 HIS HB3 . 18717 1 1208 . 1 1 110 110 HIS C C 13 177.228 0.000 . 1 . . . A 226 HIS C . 18717 1 1209 . 1 1 110 110 HIS CA C 13 60.758 0.000 . 1 . . . A 226 HIS CA . 18717 1 1210 . 1 1 110 110 HIS CB C 13 30.895 0.000 . 1 . . . A 226 HIS CB . 18717 1 1211 . 1 1 110 110 HIS N N 15 122.190 0.043 . 1 . . . A 226 HIS N . 18717 1 1212 . 1 1 111 111 ILE H H 1 6.910 0.007 . 1 . . . A 227 ILE H . 18717 1 1213 . 1 1 111 111 ILE HA H 1 4.337 0.005 . 1 . . . A 227 ILE HA . 18717 1 1214 . 1 1 111 111 ILE HB H 1 2.181 0.001 . 1 . . . A 227 ILE HB . 18717 1 1215 . 1 1 111 111 ILE HG21 H 1 0.864 0.001 . 1 . . . A 227 ILE HG21 . 18717 1 1216 . 1 1 111 111 ILE HG22 H 1 0.864 0.001 . 1 . . . A 227 ILE HG22 . 18717 1 1217 . 1 1 111 111 ILE HG23 H 1 0.864 0.001 . 1 . . . A 227 ILE HG23 . 18717 1 1218 . 1 1 111 111 ILE HD11 H 1 0.728 0.009 . 1 . . . A 227 ILE HD11 . 18717 1 1219 . 1 1 111 111 ILE HD12 H 1 0.728 0.009 . 1 . . . A 227 ILE HD12 . 18717 1 1220 . 1 1 111 111 ILE HD13 H 1 0.728 0.009 . 1 . . . A 227 ILE HD13 . 18717 1 1221 . 1 1 111 111 ILE C C 13 174.501 0.000 . 1 . . . A 227 ILE C . 18717 1 1222 . 1 1 111 111 ILE CA C 13 60.593 0.000 . 1 . . . A 227 ILE CA . 18717 1 1223 . 1 1 111 111 ILE CB C 13 36.950 0.000 . 1 . . . A 227 ILE CB . 18717 1 1224 . 1 1 111 111 ILE CG2 C 13 18.451 0.020 . 1 . . . A 227 ILE CG2 . 18717 1 1225 . 1 1 111 111 ILE CD1 C 13 15.209 0.026 . 1 . . . A 227 ILE CD1 . 18717 1 1226 . 1 1 111 111 ILE N N 15 105.612 0.001 . 1 . . . A 227 ILE N . 18717 1 1227 . 1 1 112 112 ARG H H 1 7.664 0.005 . 1 . . . A 228 ARG H . 18717 1 1228 . 1 1 112 112 ARG HA H 1 3.901 0.001 . 1 . . . A 228 ARG HA . 18717 1 1229 . 1 1 112 112 ARG HD2 H 1 3.048 0.000 . 2 . . . A 228 ARG HD2 . 18717 1 1230 . 1 1 112 112 ARG HD3 H 1 3.124 0.000 . 2 . . . A 228 ARG HD3 . 18717 1 1231 . 1 1 112 112 ARG C C 13 175.834 0.000 . 1 . . . A 228 ARG C . 18717 1 1232 . 1 1 112 112 ARG CA C 13 57.315 0.015 . 1 . . . A 228 ARG CA . 18717 1 1233 . 1 1 112 112 ARG CB C 13 26.043 0.004 . 1 . . . A 228 ARG CB . 18717 1 1234 . 1 1 112 112 ARG CD C 13 42.991 0.000 . 1 . . . A 228 ARG CD . 18717 1 1235 . 1 1 112 112 ARG N N 15 114.779 0.007 . 1 . . . A 228 ARG N . 18717 1 1236 . 1 1 113 113 ARG H H 1 8.154 0.006 . 1 . . . A 229 ARG H . 18717 1 1237 . 1 1 113 113 ARG HA H 1 4.250 0.000 . 1 . . . A 229 ARG HA . 18717 1 1238 . 1 1 113 113 ARG HG2 H 1 1.769 0.000 . 2 . . . A 229 ARG HG2 . 18717 1 1239 . 1 1 113 113 ARG HG3 H 1 1.678 0.000 . 2 . . . A 229 ARG HG3 . 18717 1 1240 . 1 1 113 113 ARG C C 13 177.454 0.000 . 1 . . . A 229 ARG C . 18717 1 1241 . 1 1 113 113 ARG CA C 13 55.654 0.007 . 1 . . . A 229 ARG CA . 18717 1 1242 . 1 1 113 113 ARG CB C 13 33.122 0.000 . 1 . . . A 229 ARG CB . 18717 1 1243 . 1 1 113 113 ARG CG C 13 26.848 0.000 . 1 . . . A 229 ARG CG . 18717 1 1244 . 1 1 113 113 ARG N N 15 114.992 0.000 . 1 . . . A 229 ARG N . 18717 1 1245 . 1 1 114 114 ILE H H 1 6.814 0.005 . 1 . . . A 230 ILE H . 18717 1 1246 . 1 1 114 114 ILE HA H 1 4.871 0.004 . 1 . . . A 230 ILE HA . 18717 1 1247 . 1 1 114 114 ILE HB H 1 1.572 0.002 . 1 . . . A 230 ILE HB . 18717 1 1248 . 1 1 114 114 ILE HG12 H 1 1.076 0.003 . 2 . . . A 230 ILE HG12 . 18717 1 1249 . 1 1 114 114 ILE HG13 H 1 1.073 0.000 . 2 . . . A 230 ILE HG13 . 18717 1 1250 . 1 1 114 114 ILE HD11 H 1 0.729 0.006 . 1 . . . A 230 ILE HD11 . 18717 1 1251 . 1 1 114 114 ILE HD12 H 1 0.729 0.006 . 1 . . . A 230 ILE HD12 . 18717 1 1252 . 1 1 114 114 ILE HD13 H 1 0.729 0.006 . 1 . . . A 230 ILE HD13 . 18717 1 1253 . 1 1 114 114 ILE C C 13 173.553 0.000 . 1 . . . A 230 ILE C . 18717 1 1254 . 1 1 114 114 ILE CA C 13 56.602 0.000 . 1 . . . A 230 ILE CA . 18717 1 1255 . 1 1 114 114 ILE CB C 13 42.400 0.024 . 1 . . . A 230 ILE CB . 18717 1 1256 . 1 1 114 114 ILE CG1 C 13 26.575 0.000 . 1 . . . A 230 ILE CG1 . 18717 1 1257 . 1 1 114 114 ILE CD1 C 13 12.422 0.020 . 1 . . . A 230 ILE CD1 . 18717 1 1258 . 1 1 114 114 ILE N N 15 112.026 0.022 . 1 . . . A 230 ILE N . 18717 1 1259 . 1 1 115 115 ARG H H 1 8.809 0.009 . 1 . . . A 231 ARG H . 18717 1 1260 . 1 1 115 115 ARG HA H 1 4.359 0.003 . 1 . . . A 231 ARG HA . 18717 1 1261 . 1 1 115 115 ARG HB2 H 1 0.630 0.000 . 2 . . . A 231 ARG HB2 . 18717 1 1262 . 1 1 115 115 ARG HB3 H 1 0.577 0.001 . 2 . . . A 231 ARG HB3 . 18717 1 1263 . 1 1 115 115 ARG HG2 H 1 1.450 0.000 . 2 . . . A 231 ARG HG2 . 18717 1 1264 . 1 1 115 115 ARG HG3 H 1 1.257 0.000 . 2 . . . A 231 ARG HG3 . 18717 1 1265 . 1 1 115 115 ARG C C 13 173.312 0.000 . 1 . . . A 231 ARG C . 18717 1 1266 . 1 1 115 115 ARG CA C 13 54.112 0.000 . 1 . . . A 231 ARG CA . 18717 1 1267 . 1 1 115 115 ARG CB C 13 32.961 0.065 . 1 . . . A 231 ARG CB . 18717 1 1268 . 1 1 115 115 ARG CG C 13 27.301 0.005 . 1 . . . A 231 ARG CG . 18717 1 1269 . 1 1 115 115 ARG N N 15 122.922 0.047 . 1 . . . A 231 ARG N . 18717 1 1270 . 1 1 116 116 GLU H H 1 8.332 0.005 . 1 . . . A 232 GLU H . 18717 1 1271 . 1 1 116 116 GLU HA H 1 5.315 0.000 . 1 . . . A 232 GLU HA . 18717 1 1272 . 1 1 116 116 GLU HB2 H 1 1.711 0.001 . 2 . . . A 232 GLU HB2 . 18717 1 1273 . 1 1 116 116 GLU HB3 H 1 1.559 0.004 . 2 . . . A 232 GLU HB3 . 18717 1 1274 . 1 1 116 116 GLU C C 13 175.332 0.000 . 1 . . . A 232 GLU C . 18717 1 1275 . 1 1 116 116 GLU CA C 13 53.102 0.002 . 1 . . . A 232 GLU CA . 18717 1 1276 . 1 1 116 116 GLU CB C 13 34.934 0.051 . 1 . . . A 232 GLU CB . 18717 1 1277 . 1 1 116 116 GLU N N 15 118.952 0.038 . 1 . . . A 232 GLU N . 18717 1 1278 . 1 1 117 117 GLU H H 1 9.031 0.007 . 1 . . . A 233 GLU H . 18717 1 1279 . 1 1 117 117 GLU HA H 1 4.531 0.000 . 1 . . . A 233 GLU HA . 18717 1 1280 . 1 1 117 117 GLU HB2 H 1 1.828 0.000 . 1 . . . A 233 GLU HB2 . 18717 1 1281 . 1 1 117 117 GLU HG2 H 1 2.034 0.000 . 2 . . . A 233 GLU HG2 . 18717 1 1282 . 1 1 117 117 GLU HG3 H 1 1.973 0.000 . 2 . . . A 233 GLU HG3 . 18717 1 1283 . 1 1 117 117 GLU C C 13 174.512 0.002 . 1 . . . A 233 GLU C . 18717 1 1284 . 1 1 117 117 GLU CA C 13 55.112 0.000 . 1 . . . A 233 GLU CA . 18717 1 1285 . 1 1 117 117 GLU CB C 13 33.333 0.000 . 1 . . . A 233 GLU CB . 18717 1 1286 . 1 1 117 117 GLU CG C 13 35.487 0.000 . 1 . . . A 233 GLU CG . 18717 1 1287 . 1 1 117 117 GLU N N 15 124.548 0.118 . 1 . . . A 233 GLU N . 18717 1 1288 . 1 1 118 118 ARG H H 1 8.952 0.001 . 1 . . . A 234 ARG H . 18717 1 1289 . 1 1 118 118 ARG HA H 1 4.611 0.001 . 1 . . . A 234 ARG HA . 18717 1 1290 . 1 1 118 118 ARG HB2 H 1 1.790 0.009 . 2 . . . A 234 ARG HB2 . 18717 1 1291 . 1 1 118 118 ARG HB3 H 1 1.677 0.005 . 2 . . . A 234 ARG HB3 . 18717 1 1292 . 1 1 118 118 ARG HG3 H 1 1.496 0.001 . 1 . . . A 234 ARG HG3 . 18717 1 1293 . 1 1 118 118 ARG HD3 H 1 3.057 0.004 . 1 . . . A 234 ARG HD3 . 18717 1 1294 . 1 1 118 118 ARG C C 13 176.108 0.000 . 1 . . . A 234 ARG C . 18717 1 1295 . 1 1 118 118 ARG CA C 13 55.793 0.001 . 1 . . . A 234 ARG CA . 18717 1 1296 . 1 1 118 118 ARG CB C 13 30.141 0.000 . 1 . . . A 234 ARG CB . 18717 1 1297 . 1 1 118 118 ARG CG C 13 27.102 0.000 . 1 . . . A 234 ARG CG . 18717 1 1298 . 1 1 118 118 ARG CD C 13 42.988 0.000 . 1 . . . A 234 ARG CD . 18717 1 1299 . 1 1 118 118 ARG N N 15 127.826 0.142 . 1 . . . A 234 ARG N . 18717 1 1300 . 1 1 119 119 CYS H H 1 8.835 0.006 . 1 . . . A 235 CYS H . 18717 1 1301 . 1 1 119 119 CYS HA H 1 4.660 0.004 . 1 . . . A 235 CYS HA . 18717 1 1302 . 1 1 119 119 CYS HB2 H 1 2.939 0.003 . 2 . . . A 235 CYS HB2 . 18717 1 1303 . 1 1 119 119 CYS HB3 H 1 2.767 0.002 . 2 . . . A 235 CYS HB3 . 18717 1 1304 . 1 1 119 119 CYS C C 13 174.829 0.000 . 1 . . . A 235 CYS C . 18717 1 1305 . 1 1 119 119 CYS CA C 13 56.448 0.001 . 1 . . . A 235 CYS CA . 18717 1 1306 . 1 1 119 119 CYS CB C 13 28.192 0.096 . 1 . . . A 235 CYS CB . 18717 1 1307 . 1 1 119 119 CYS N N 15 126.748 0.069 . 1 . . . A 235 CYS N . 18717 1 1308 . 1 1 120 120 GLY H H 1 8.873 0.000 . 1 . . . A 236 GLY H . 18717 1 1309 . 1 1 120 120 GLY HA2 H 1 4.201 0.004 . 2 . . . A 236 GLY HA2 . 18717 1 1310 . 1 1 120 120 GLY HA3 H 1 3.504 0.006 . 2 . . . A 236 GLY HA3 . 18717 1 1311 . 1 1 120 120 GLY C C 13 173.404 0.000 . 1 . . . A 236 GLY C . 18717 1 1312 . 1 1 120 120 GLY CA C 13 44.512 0.001 . 1 . . . A 236 GLY CA . 18717 1 1313 . 1 1 120 120 GLY N N 15 117.456 0.000 . 1 . . . A 236 GLY N . 18717 1 1314 . 1 1 121 121 PRO C C 13 175.713 0.000 . 1 . . . A 237 PRO C . 18717 1 1315 . 1 1 121 121 PRO CA C 13 63.283 0.000 . 1 . . . A 237 PRO CA . 18717 1 1316 . 1 1 121 121 PRO CB C 13 32.263 0.000 . 1 . . . A 237 PRO CB . 18717 1 1317 . 1 1 121 121 PRO CG C 13 26.083 0.000 . 1 . . . A 237 PRO CG . 18717 1 1318 . 1 1 121 121 PRO CD C 13 50.437 0.000 . 1 . . . A 237 PRO CD . 18717 1 1319 . 1 1 122 122 LEU H H 1 7.275 0.008 . 1 . . . A 238 LEU H . 18717 1 1320 . 1 1 122 122 LEU HA H 1 4.440 0.004 . 1 . . . A 238 LEU HA . 18717 1 1321 . 1 1 122 122 LEU HB2 H 1 1.494 0.003 . 2 . . . A 238 LEU HB2 . 18717 1 1322 . 1 1 122 122 LEU HB3 H 1 0.908 0.004 . 2 . . . A 238 LEU HB3 . 18717 1 1323 . 1 1 122 122 LEU HG H 1 1.237 0.005 . 1 . . . A 238 LEU HG . 18717 1 1324 . 1 1 122 122 LEU HD11 H 1 0.786 0.001 . 1 . . . A 238 LEU HD11 . 18717 1 1325 . 1 1 122 122 LEU HD12 H 1 0.786 0.001 . 1 . . . A 238 LEU HD12 . 18717 1 1326 . 1 1 122 122 LEU HD13 H 1 0.786 0.001 . 1 . . . A 238 LEU HD13 . 18717 1 1327 . 1 1 122 122 LEU HD21 H 1 0.663 0.008 . 1 . . . A 238 LEU HD21 . 18717 1 1328 . 1 1 122 122 LEU HD22 H 1 0.663 0.008 . 1 . . . A 238 LEU HD22 . 18717 1 1329 . 1 1 122 122 LEU HD23 H 1 0.663 0.008 . 1 . . . A 238 LEU HD23 . 18717 1 1330 . 1 1 122 122 LEU C C 13 175.067 0.014 . 1 . . . A 238 LEU C . 18717 1 1331 . 1 1 122 122 LEU CA C 13 53.609 0.000 . 1 . . . A 238 LEU CA . 18717 1 1332 . 1 1 122 122 LEU CB C 13 44.979 0.022 . 1 . . . A 238 LEU CB . 18717 1 1333 . 1 1 122 122 LEU CG C 13 26.878 0.000 . 1 . . . A 238 LEU CG . 18717 1 1334 . 1 1 122 122 LEU CD1 C 13 25.434 0.000 . 1 . . . A 238 LEU CD1 . 18717 1 1335 . 1 1 122 122 LEU CD2 C 13 24.051 0.091 . 1 . . . A 238 LEU CD2 . 18717 1 1336 . 1 1 122 122 LEU N N 15 121.755 0.048 . 1 . . . A 238 LEU N . 18717 1 1337 . 1 1 123 123 THR H H 1 7.649 0.000 . 1 . . . A 239 THR H . 18717 1 1338 . 1 1 123 123 THR HA H 1 4.407 0.000 . 1 . . . A 239 THR HA . 18717 1 1339 . 1 1 123 123 THR HB H 1 3.556 0.006 . 1 . . . A 239 THR HB . 18717 1 1340 . 1 1 123 123 THR HG21 H 1 0.488 0.003 . 1 . . . A 239 THR HG21 . 18717 1 1341 . 1 1 123 123 THR HG22 H 1 0.488 0.003 . 1 . . . A 239 THR HG22 . 18717 1 1342 . 1 1 123 123 THR HG23 H 1 0.488 0.003 . 1 . . . A 239 THR HG23 . 18717 1 1343 . 1 1 123 123 THR C C 13 172.077 0.000 . 1 . . . A 239 THR C . 18717 1 1344 . 1 1 123 123 THR CA C 13 61.769 0.003 . 1 . . . A 239 THR CA . 18717 1 1345 . 1 1 123 123 THR CB C 13 69.263 0.000 . 1 . . . A 239 THR CB . 18717 1 1346 . 1 1 123 123 THR CG2 C 13 22.163 0.000 . 1 . . . A 239 THR CG2 . 18717 1 1347 . 1 1 123 123 THR N N 15 118.682 0.000 . 1 . . . A 239 THR N . 18717 1 1348 . 1 1 124 124 PHE H H 1 8.563 0.010 . 1 . . . A 240 PHE H . 18717 1 1349 . 1 1 124 124 PHE HA H 1 4.272 0.002 . 1 . . . A 240 PHE HA . 18717 1 1350 . 1 1 124 124 PHE HB2 H 1 2.678 0.002 . 2 . . . A 240 PHE HB2 . 18717 1 1351 . 1 1 124 124 PHE HB3 H 1 2.327 0.002 . 2 . . . A 240 PHE HB3 . 18717 1 1352 . 1 1 124 124 PHE HD1 H 1 6.558 0.006 . 3 . . . A 240 PHE HD1 . 18717 1 1353 . 1 1 124 124 PHE HD2 H 1 6.558 0.006 . 3 . . . A 240 PHE HD2 . 18717 1 1354 . 1 1 124 124 PHE HE1 H 1 6.634 0.007 . 3 . . . A 240 PHE HE1 . 18717 1 1355 . 1 1 124 124 PHE HE2 H 1 6.634 0.007 . 3 . . . A 240 PHE HE2 . 18717 1 1356 . 1 1 124 124 PHE C C 13 173.544 0.000 . 1 . . . A 240 PHE C . 18717 1 1357 . 1 1 124 124 PHE CA C 13 56.587 0.000 . 1 . . . A 240 PHE CA . 18717 1 1358 . 1 1 124 124 PHE CB C 13 42.202 0.004 . 1 . . . A 240 PHE CB . 18717 1 1359 . 1 1 124 124 PHE CD1 C 13 131.756 0.000 . 3 . . . A 240 PHE CD1 . 18717 1 1360 . 1 1 124 124 PHE CD2 C 13 131.756 0.000 . 3 . . . A 240 PHE CD2 . 18717 1 1361 . 1 1 124 124 PHE N N 15 125.193 0.081 . 1 . . . A 240 PHE N . 18717 1 1362 . 1 1 125 125 TYR H H 1 8.619 0.004 . 1 . . . A 241 TYR H . 18717 1 1363 . 1 1 125 125 TYR HA H 1 5.283 0.005 . 1 . . . A 241 TYR HA . 18717 1 1364 . 1 1 125 125 TYR HB2 H 1 1.995 0.004 . 2 . . . A 241 TYR HB2 . 18717 1 1365 . 1 1 125 125 TYR HB3 H 1 0.781 0.000 . 2 . . . A 241 TYR HB3 . 18717 1 1366 . 1 1 125 125 TYR HD1 H 1 6.642 0.013 . 3 . . . A 241 TYR HD1 . 18717 1 1367 . 1 1 125 125 TYR HD2 H 1 6.642 0.013 . 3 . . . A 241 TYR HD2 . 18717 1 1368 . 1 1 125 125 TYR HE1 H 1 6.746 0.009 . 3 . . . A 241 TYR HE1 . 18717 1 1369 . 1 1 125 125 TYR HE2 H 1 6.746 0.009 . 3 . . . A 241 TYR HE2 . 18717 1 1370 . 1 1 125 125 TYR C C 13 174.710 0.000 . 1 . . . A 241 TYR C . 18717 1 1371 . 1 1 125 125 TYR CA C 13 55.750 0.004 . 1 . . . A 241 TYR CA . 18717 1 1372 . 1 1 125 125 TYR CB C 13 40.013 0.006 . 1 . . . A 241 TYR CB . 18717 1 1373 . 1 1 125 125 TYR CD1 C 13 133.175 0.000 . 3 . . . A 241 TYR CD1 . 18717 1 1374 . 1 1 125 125 TYR CD2 C 13 133.175 0.000 . 3 . . . A 241 TYR CD2 . 18717 1 1375 . 1 1 125 125 TYR CE1 C 13 117.736 0.000 . 3 . . . A 241 TYR CE1 . 18717 1 1376 . 1 1 125 125 TYR CE2 C 13 117.736 0.000 . 3 . . . A 241 TYR CE2 . 18717 1 1377 . 1 1 125 125 TYR N N 15 118.495 0.059 . 1 . . . A 241 TYR N . 18717 1 1378 . 1 1 126 126 TYR H H 1 8.360 0.005 . 1 . . . A 242 TYR H . 18717 1 1379 . 1 1 126 126 TYR HA H 1 5.270 0.015 . 1 . . . A 242 TYR HA . 18717 1 1380 . 1 1 126 126 TYR HB2 H 1 2.931 0.007 . 2 . . . A 242 TYR HB2 . 18717 1 1381 . 1 1 126 126 TYR HB3 H 1 2.834 0.002 . 2 . . . A 242 TYR HB3 . 18717 1 1382 . 1 1 126 126 TYR HD1 H 1 6.725 0.003 . 3 . . . A 242 TYR HD1 . 18717 1 1383 . 1 1 126 126 TYR HD2 H 1 6.725 0.003 . 3 . . . A 242 TYR HD2 . 18717 1 1384 . 1 1 126 126 TYR HE1 H 1 6.410 0.002 . 3 . . . A 242 TYR HE1 . 18717 1 1385 . 1 1 126 126 TYR HE2 H 1 6.410 0.002 . 3 . . . A 242 TYR HE2 . 18717 1 1386 . 1 1 126 126 TYR C C 13 172.392 0.000 . 1 . . . A 242 TYR C . 18717 1 1387 . 1 1 126 126 TYR CA C 13 53.928 0.000 . 1 . . . A 242 TYR CA . 18717 1 1388 . 1 1 126 126 TYR CB C 13 38.082 0.002 . 1 . . . A 242 TYR CB . 18717 1 1389 . 1 1 126 126 TYR CD1 C 13 133.992 0.000 . 3 . . . A 242 TYR CD1 . 18717 1 1390 . 1 1 126 126 TYR CD2 C 13 133.992 0.000 . 3 . . . A 242 TYR CD2 . 18717 1 1391 . 1 1 126 126 TYR CE1 C 13 117.660 0.000 . 3 . . . A 242 TYR CE1 . 18717 1 1392 . 1 1 126 126 TYR CE2 C 13 117.660 0.000 . 3 . . . A 242 TYR CE2 . 18717 1 1393 . 1 1 126 126 TYR N N 15 115.841 0.017 . 1 . . . A 242 TYR N . 18717 1 1394 . 1 1 127 127 PRO HA H 1 4.622 0.003 . 1 . . . A 243 PRO HA . 18717 1 1395 . 1 1 127 127 PRO HB2 H 1 2.146 0.003 . 2 . . . A 243 PRO HB2 . 18717 1 1396 . 1 1 127 127 PRO HB3 H 1 2.297 0.008 . 2 . . . A 243 PRO HB3 . 18717 1 1397 . 1 1 127 127 PRO HG2 H 1 1.674 0.016 . 1 . . . A 243 PRO HG2 . 18717 1 1398 . 1 1 127 127 PRO CA C 13 62.929 0.000 . 1 . . . A 243 PRO CA . 18717 1 1399 . 1 1 127 127 PRO CB C 13 32.453 0.000 . 1 . . . A 243 PRO CB . 18717 1 1400 . 1 1 127 127 PRO CG C 13 28.462 0.000 . 1 . . . A 243 PRO CG . 18717 1 1401 . 1 1 127 127 PRO CD C 13 51.038 0.000 . 1 . . . A 243 PRO CD . 18717 1 1402 . 1 1 128 128 GLY H H 1 7.733 0.004 . 1 . . . A 244 GLY H . 18717 1 1403 . 1 1 128 128 GLY HA2 H 1 3.816 0.009 . 2 . . . A 244 GLY HA2 . 18717 1 1404 . 1 1 128 128 GLY HA3 H 1 3.641 0.007 . 2 . . . A 244 GLY HA3 . 18717 1 1405 . 1 1 128 128 GLY C C 13 173.605 0.003 . 1 . . . A 244 GLY C . 18717 1 1406 . 1 1 128 128 GLY CA C 13 44.707 0.001 . 1 . . . A 244 GLY CA . 18717 1 1407 . 1 1 128 128 GLY N N 15 107.997 0.090 . 1 . . . A 244 GLY N . 18717 1 1408 . 1 1 129 129 SER H H 1 8.105 0.004 . 1 . . . A 245 SER H . 18717 1 1409 . 1 1 129 129 SER HA H 1 4.443 0.007 . 1 . . . A 245 SER HA . 18717 1 1410 . 1 1 129 129 SER HB2 H 1 3.863 0.006 . 2 . . . A 245 SER HB2 . 18717 1 1411 . 1 1 129 129 SER HB3 H 1 3.786 0.002 . 2 . . . A 245 SER HB3 . 18717 1 1412 . 1 1 129 129 SER C C 13 174.743 0.005 . 1 . . . A 245 SER C . 18717 1 1413 . 1 1 129 129 SER CA C 13 57.566 0.003 . 1 . . . A 245 SER CA . 18717 1 1414 . 1 1 129 129 SER CB C 13 63.772 0.000 . 1 . . . A 245 SER CB . 18717 1 1415 . 1 1 129 129 SER N N 15 114.218 0.019 . 1 . . . A 245 SER N . 18717 1 1416 . 1 1 130 130 SER H H 1 8.396 0.013 . 1 . . . A 246 SER H . 18717 1 1417 . 1 1 130 130 SER C C 13 174.350 0.000 . 1 . . . A 246 SER C . 18717 1 1418 . 1 1 130 130 SER CA C 13 58.909 0.000 . 1 . . . A 246 SER CA . 18717 1 1419 . 1 1 130 130 SER CB C 13 63.810 0.000 . 1 . . . A 246 SER CB . 18717 1 1420 . 1 1 130 130 SER N N 15 117.850 0.116 . 1 . . . A 246 SER N . 18717 1 stop_ save_