data_18849 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 18849 _Entry.Title ; Chemical shift assignments and secondary structure prediction of the C-terminal domain of the response regulator BfmR from Acinetobacter baumannii ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2012-11-20 _Entry.Accession_date 2012-11-20 _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 solution _Entry.Details . _Entry.BMRB_internal_directory_name . loop_ _Entry_author.Ordinal _Entry_author.Given_name _Entry_author.Family_name _Entry_author.First_initial _Entry_author.Middle_initials _Entry_author.Family_title _Entry_author.Entry_ID 1 Andrew Olson . L. . 18849 2 Richele Thompson . J. . 18849 3 Christian Melander . . . 18849 4 John Cavanagh . . . 18849 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 18849 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 420 18849 '15N chemical shifts' 96 18849 '1H chemical shifts' 686 18849 stop_ loop_ _Release.Release_number _Release.Format_type _Release.Format_version _Release.Date _Release.Submission_date _Release.Type _Release.Author _Release.Detail _Release.Entry_ID 2 . . 2014-02-17 2012-11-20 update BMRB 'update entry citation' 18849 1 . . 2012-11-26 2012-11-20 original author 'original release' 18849 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 18849 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 23264007 _Citation.Full_citation . _Citation.Title 'Chemical shift assignments and secondary structure prediction of the C-terminal domain of the response regulator BfmR from Acinetobacter baumannii.' _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'Biomol. NMR Assignments' _Citation.Journal_name_full 'Biomolecular NMR assignments' _Citation.Journal_volume . _Citation.Journal_issue . _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 . _Citation.Page_last . _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 Andrew Olson . L. . 18849 1 2 Richele Thompson . J. . 18849 1 3 Christian Melander . . . 18849 1 4 John Cavanagh . . . 18849 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 18849 _Assembly.ID 1 _Assembly.Name BfmrC _Assembly.BMRB_code . _Assembly.Number_of_components . _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 BfmrC 1 $BfmrC A . yes native no no . . . 18849 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_BfmrC _Entity.Sf_category entity _Entity.Sf_framecode BfmrC _Entity.Entry_ID 18849 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name BfmrC _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID . _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; EDEVAQRIEFDDLVIDNGGR SVTLNGELVDFTSAEYDLLW LLASNAGRILSREDIFERLR GIEYDGQDRSIDVRISRIRP KIGDDPENPKRIKTVRSKGY LFVKETNGLLEHHHHHH ; _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 117 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'all free' _Entity.Src_method . _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight . _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date 2015-11-25 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 DBJ BAN88679 . "two-component regulatory system response regulator [Acinetobacter baumannii NCGM 237]" . . . . . 93.16 238 100.00 100.00 3.35e-69 . . . . 18849 1 2 no DBJ BAP35785 . "putative two-component response regulator [Acinetobacter guillouiae]" . . . . . 90.60 237 100.00 100.00 1.18e-66 . . . . 18849 1 3 no DBJ BAP67858 . "two-component regulatory system response regulator [Acinetobacter baumannii]" . . . . . 93.16 238 100.00 100.00 3.35e-69 . . . . 18849 1 4 no DBJ GAB01456 . "transcriptional regulatory protein CpxR [Acinetobacter sp. NBRC 100985]" . . . . . 93.16 238 98.17 100.00 2.52e-68 . . . . 18849 1 5 no DBJ GAB75315 . "putative two-component response regulator [Acinetobacter radioresistens DSM 6976 = NBRC 102413 = CIP 103788]" . . . . . 93.16 238 100.00 100.00 3.65e-69 . . . . 18849 1 6 no EMBL CAG67634 . "putative response regulator (activator) in two-component regulatory system (OmpR family) [Acinetobacter sp. ADP1]" . . . . . 93.16 238 100.00 100.00 3.35e-69 . . . . 18849 1 7 no EMBL CAM87883 . "putative response regulator (activator) in two-component regulatory system (OmpR family) [Acinetobacter baumannii AYE]" . . . . . 93.16 238 100.00 100.00 3.35e-69 . . . . 18849 1 8 no EMBL CAP02024 . "putative response regulator (activator) in two-component regulatory system (OmpR family) [Acinetobacter baumannii SDF]" . . . . . 93.16 238 100.00 100.00 3.35e-69 . . . . 18849 1 9 no EMBL CDG76603 . "putative response regulator (activator) in two-component regulatory system (OmpR family) protein [Acinetobacter nosocomialis 28" . . . . . 93.16 238 100.00 100.00 3.35e-69 . . . . 18849 1 10 no EMBL CDG77731 . "putative response regulator (activator) in two-component regulatory system (OmpR family) protein [Acinetobacter baumannii 107m]" . . . . . 93.16 238 100.00 100.00 3.35e-69 . . . . 18849 1 11 no GB AAX40744 . "BfmR [Acinetobacter baumannii]" . . . . . 93.16 238 100.00 100.00 3.35e-69 . . . . 18849 1 12 no GB ABO11188 . "two-component regulatory activator (OmpR family) [Acinetobacter baumannii ATCC 17978]" . . . . . 93.16 238 100.00 100.00 3.35e-69 . . . . 18849 1 13 no GB ACC56017 . "Response regulator consisting of a CheY-like receiver domain and a winged-helix DNA-binding domain [Acinetobacter baumannii ACI" . . . . . 93.16 238 100.00 100.00 3.35e-69 . . . . 18849 1 14 no GB ACJ40594 . "two-component system response regulator protein [Acinetobacter baumannii AB0057]" . . . . . 93.16 238 100.00 100.00 3.35e-69 . . . . 18849 1 15 no GB ACJ59134 . "Transcriptional regulatory protein rstA [Acinetobacter baumannii AB307-0294]" . . . . . 93.16 238 100.00 100.00 3.35e-69 . . . . 18849 1 16 no REF WP_000076438 . "DNA-binding response regulator [Acinetobacter baumannii]" . . . . . 93.16 238 100.00 100.00 3.28e-69 . . . . 18849 1 17 no REF WP_000076439 . "DNA-binding response regulator [Acinetobacter baumannii]" . . . . . 93.16 238 98.17 99.08 5.63e-68 . . . . 18849 1 18 no REF WP_000076440 . "MULTISPECIES: DNA-binding response regulator [Acinetobacter]" . . . . . 93.16 238 100.00 100.00 3.35e-69 . . . . 18849 1 19 no REF WP_000076441 . "DNA-binding response regulator [Acinetobacter baumannii]" . . . . . 93.16 238 99.08 100.00 1.51e-68 . . . . 18849 1 20 no REF WP_000076442 . "DNA-binding response regulator [Acinetobacter baumannii]" . . . . . 93.16 238 100.00 100.00 2.88e-69 . . . . 18849 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 1 129 GLU . 18849 1 2 130 ASP . 18849 1 3 131 GLU . 18849 1 4 132 VAL . 18849 1 5 133 ALA . 18849 1 6 134 GLN . 18849 1 7 135 ARG . 18849 1 8 136 ILE . 18849 1 9 137 GLU . 18849 1 10 138 PHE . 18849 1 11 139 ASP . 18849 1 12 140 ASP . 18849 1 13 141 LEU . 18849 1 14 142 VAL . 18849 1 15 143 ILE . 18849 1 16 144 ASP . 18849 1 17 145 ASN . 18849 1 18 146 GLY . 18849 1 19 147 GLY . 18849 1 20 148 ARG . 18849 1 21 149 SER . 18849 1 22 150 VAL . 18849 1 23 151 THR . 18849 1 24 152 LEU . 18849 1 25 153 ASN . 18849 1 26 154 GLY . 18849 1 27 155 GLU . 18849 1 28 156 LEU . 18849 1 29 157 VAL . 18849 1 30 158 ASP . 18849 1 31 159 PHE . 18849 1 32 160 THR . 18849 1 33 161 SER . 18849 1 34 162 ALA . 18849 1 35 163 GLU . 18849 1 36 164 TYR . 18849 1 37 165 ASP . 18849 1 38 166 LEU . 18849 1 39 167 LEU . 18849 1 40 168 TRP . 18849 1 41 169 LEU . 18849 1 42 170 LEU . 18849 1 43 171 ALA . 18849 1 44 172 SER . 18849 1 45 173 ASN . 18849 1 46 174 ALA . 18849 1 47 175 GLY . 18849 1 48 176 ARG . 18849 1 49 177 ILE . 18849 1 50 178 LEU . 18849 1 51 179 SER . 18849 1 52 180 ARG . 18849 1 53 181 GLU . 18849 1 54 182 ASP . 18849 1 55 183 ILE . 18849 1 56 184 PHE . 18849 1 57 185 GLU . 18849 1 58 186 ARG . 18849 1 59 187 LEU . 18849 1 60 188 ARG . 18849 1 61 189 GLY . 18849 1 62 190 ILE . 18849 1 63 191 GLU . 18849 1 64 192 TYR . 18849 1 65 193 ASP . 18849 1 66 194 GLY . 18849 1 67 195 GLN . 18849 1 68 196 ASP . 18849 1 69 197 ARG . 18849 1 70 198 SER . 18849 1 71 199 ILE . 18849 1 72 200 ASP . 18849 1 73 201 VAL . 18849 1 74 202 ARG . 18849 1 75 203 ILE . 18849 1 76 204 SER . 18849 1 77 205 ARG . 18849 1 78 206 ILE . 18849 1 79 207 ARG . 18849 1 80 208 PRO . 18849 1 81 209 LYS . 18849 1 82 210 ILE . 18849 1 83 211 GLY . 18849 1 84 212 ASP . 18849 1 85 213 ASP . 18849 1 86 214 PRO . 18849 1 87 215 GLU . 18849 1 88 216 ASN . 18849 1 89 217 PRO . 18849 1 90 218 LYS . 18849 1 91 219 ARG . 18849 1 92 220 ILE . 18849 1 93 221 LYS . 18849 1 94 222 THR . 18849 1 95 223 VAL . 18849 1 96 224 ARG . 18849 1 97 225 SER . 18849 1 98 226 LYS . 18849 1 99 227 GLY . 18849 1 100 228 TYR . 18849 1 101 229 LEU . 18849 1 102 230 PHE . 18849 1 103 231 VAL . 18849 1 104 232 LYS . 18849 1 105 233 GLU . 18849 1 106 234 THR . 18849 1 107 235 ASN . 18849 1 108 236 GLY . 18849 1 109 237 LEU . 18849 1 110 238 LEU . 18849 1 111 239 GLU . 18849 1 112 240 HIS . 18849 1 113 241 HIS . 18849 1 114 242 HIS . 18849 1 115 243 HIS . 18849 1 116 244 HIS . 18849 1 117 245 HIS . 18849 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 . GLU 1 1 18849 1 . ASP 2 2 18849 1 . GLU 3 3 18849 1 . VAL 4 4 18849 1 . ALA 5 5 18849 1 . GLN 6 6 18849 1 . ARG 7 7 18849 1 . ILE 8 8 18849 1 . GLU 9 9 18849 1 . PHE 10 10 18849 1 . ASP 11 11 18849 1 . ASP 12 12 18849 1 . LEU 13 13 18849 1 . VAL 14 14 18849 1 . ILE 15 15 18849 1 . ASP 16 16 18849 1 . ASN 17 17 18849 1 . GLY 18 18 18849 1 . GLY 19 19 18849 1 . ARG 20 20 18849 1 . SER 21 21 18849 1 . VAL 22 22 18849 1 . THR 23 23 18849 1 . LEU 24 24 18849 1 . ASN 25 25 18849 1 . GLY 26 26 18849 1 . GLU 27 27 18849 1 . LEU 28 28 18849 1 . VAL 29 29 18849 1 . ASP 30 30 18849 1 . PHE 31 31 18849 1 . THR 32 32 18849 1 . SER 33 33 18849 1 . ALA 34 34 18849 1 . GLU 35 35 18849 1 . TYR 36 36 18849 1 . ASP 37 37 18849 1 . LEU 38 38 18849 1 . LEU 39 39 18849 1 . TRP 40 40 18849 1 . LEU 41 41 18849 1 . LEU 42 42 18849 1 . ALA 43 43 18849 1 . SER 44 44 18849 1 . ASN 45 45 18849 1 . ALA 46 46 18849 1 . GLY 47 47 18849 1 . ARG 48 48 18849 1 . ILE 49 49 18849 1 . LEU 50 50 18849 1 . SER 51 51 18849 1 . ARG 52 52 18849 1 . GLU 53 53 18849 1 . ASP 54 54 18849 1 . ILE 55 55 18849 1 . PHE 56 56 18849 1 . GLU 57 57 18849 1 . ARG 58 58 18849 1 . LEU 59 59 18849 1 . ARG 60 60 18849 1 . GLY 61 61 18849 1 . ILE 62 62 18849 1 . GLU 63 63 18849 1 . TYR 64 64 18849 1 . ASP 65 65 18849 1 . GLY 66 66 18849 1 . GLN 67 67 18849 1 . ASP 68 68 18849 1 . ARG 69 69 18849 1 . SER 70 70 18849 1 . ILE 71 71 18849 1 . ASP 72 72 18849 1 . VAL 73 73 18849 1 . ARG 74 74 18849 1 . ILE 75 75 18849 1 . SER 76 76 18849 1 . ARG 77 77 18849 1 . ILE 78 78 18849 1 . ARG 79 79 18849 1 . PRO 80 80 18849 1 . LYS 81 81 18849 1 . ILE 82 82 18849 1 . GLY 83 83 18849 1 . ASP 84 84 18849 1 . ASP 85 85 18849 1 . PRO 86 86 18849 1 . GLU 87 87 18849 1 . ASN 88 88 18849 1 . PRO 89 89 18849 1 . LYS 90 90 18849 1 . ARG 91 91 18849 1 . ILE 92 92 18849 1 . LYS 93 93 18849 1 . THR 94 94 18849 1 . VAL 95 95 18849 1 . ARG 96 96 18849 1 . SER 97 97 18849 1 . LYS 98 98 18849 1 . GLY 99 99 18849 1 . TYR 100 100 18849 1 . LEU 101 101 18849 1 . PHE 102 102 18849 1 . VAL 103 103 18849 1 . LYS 104 104 18849 1 . GLU 105 105 18849 1 . THR 106 106 18849 1 . ASN 107 107 18849 1 . GLY 108 108 18849 1 . LEU 109 109 18849 1 . LEU 110 110 18849 1 . GLU 111 111 18849 1 . HIS 112 112 18849 1 . HIS 113 113 18849 1 . HIS 114 114 18849 1 . HIS 115 115 18849 1 . HIS 116 116 18849 1 . HIS 117 117 18849 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 18849 _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 $BfmrC . 470 organism . 'Acinetobacter baumannii' 'Acinetobacter baumannii' . . Bacteria . Acinetobacter baumannii . . . . . . . . . . . . . . . . . . . . . 18849 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 18849 _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 $BfmrC . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli . . . . . . . . . . . . . . . . pET-16b . . . . . . 18849 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 18849 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '90% H2O/10% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 BfmrC '[U-100% 13C; U-100% 15N]' . . 1 $BfmrC . . 1 . . mM . . . . 18849 1 2 Tris-HCl 'natural abundance' . . . . . . 0.025 . . M . . . . 18849 1 3 KCl 'natural abundance' . . . . . . 0.05 . . M . . . . 18849 1 stop_ save_ save_sample_2 _Sample.Sf_category sample _Sample.Sf_framecode sample_2 _Sample.Entry_ID 18849 _Sample.ID 2 _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 BfmrC '[U-100% 13C]' . . 1 $BfmrC . . 1 . . mM . . . . 18849 2 2 Tris-HCl 'natural abundance' . . . . . . 0.025 . . M . . . . 18849 2 3 KCl 'natural abundance' . . . . . . 0.05 . . M . . . . 18849 2 stop_ save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode sample_conditions_1 _Sample_condition_list.Entry_ID 18849 _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' 0.05 . M 18849 1 pH 6.5 . pH 18849 1 pressure 1 . atm 18849 1 temperature 273 . K 18849 1 stop_ save_ ############################ # Computer software used # ############################ save_NMRPipe _Software.Sf_category software _Software.Sf_framecode NMRPipe _Software.Entry_ID 18849 _Software.ID 1 _Software.Name NMRPipe _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax' . . 18849 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 18849 1 stop_ save_ save_SPARKY _Software.Sf_category software _Software.Sf_framecode SPARKY _Software.Entry_ID 18849 _Software.ID 2 _Software.Name SPARKY _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID Goddard . . 18849 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' 18849 2 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 18849 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 700 save_ save_spectrometer_2 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_2 _NMR_spectrometer.Entry_ID 18849 _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_NMR_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode NMR_spectrometer_list _NMR_spectrometer_list.Entry_ID 18849 _NMR_spectrometer_list.ID 1 loop_ _NMR_spectrometer_view.ID _NMR_spectrometer_view.Name _NMR_spectrometer_view.Manufacturer _NMR_spectrometer_view.Model _NMR_spectrometer_view.Serial_number _NMR_spectrometer_view.Field_strength _NMR_spectrometer_view.Details _NMR_spectrometer_view.Citation_ID _NMR_spectrometer_view.Citation_label _NMR_spectrometer_view.Entry_ID _NMR_spectrometer_view.NMR_spectrometer_list_ID 1 spectrometer_1 Bruker Avance . 700 . . . 18849 1 2 spectrometer_2 Varian INOVA . 600 . . . 18849 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 18849 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NMR_spec_expt_ID _Experiment.NMR_spec_expt_label _Experiment.MS_expt_ID _Experiment.MS_expt_label _Experiment.SAXS_expt_ID _Experiment.SAXS_expt_label _Experiment.FRET_expt_ID _Experiment.FRET_expt_label _Experiment.EMR_expt_ID _Experiment.EMR_expt_label _Experiment.Sample_ID _Experiment.Sample_label _Experiment.Sample_state _Experiment.Sample_volume _Experiment.Sample_volume_units _Experiment.Sample_condition_list_ID _Experiment.Sample_condition_list_label _Experiment.Sample_spinning_rate _Experiment.Sample_angle _Experiment.NMR_tube_type _Experiment.NMR_spectrometer_ID _Experiment.NMR_spectrometer_label _Experiment.NMR_spectrometer_probe_ID _Experiment.NMR_spectrometer_probe_label _Experiment.NMR_spectral_processing_ID _Experiment.NMR_spectral_processing_label _Experiment.Mass_spectrometer_ID _Experiment.Mass_spectrometer_label _Experiment.Xray_instrument_ID _Experiment.Xray_instrument_label _Experiment.Fluorescence_instrument_ID _Experiment.Fluorescence_instrument_label _Experiment.EMR_instrument_ID _Experiment.EMR_instrument_label _Experiment.Chromatographic_system_ID _Experiment.Chromatographic_system_label _Experiment.Chromatographic_column_ID _Experiment.Chromatographic_column_label _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 '2D 1H-15N HSQC' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 18849 1 2 '3D HNCO' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 18849 1 3 '3D HNCACB' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 18849 1 4 '3D C(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 18849 1 5 '3D CBCA(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 18849 1 6 '3D HCCH-TOCSY' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 18849 1 7 '3D H(CCO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 18849 1 8 '3D HBHA(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 18849 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 18849 _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 . . . . . . . . . 18849 1 H 1 DSS 'methyl protons' . . . . ppm 0.00 internal direct 1.000000000 . . . . . . . . . 18849 1 N 15 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.101329118 . . . . . . . . . 18849 1 P 31 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.404808636 . . . . . . . . . 18849 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 18849 _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' . . . 18849 1 2 '3D HNCO' . . . 18849 1 3 '3D HNCACB' . . . 18849 1 4 '3D C(CO)NH' . . . 18849 1 5 '3D CBCA(CO)NH' . . . 18849 1 6 '3D HCCH-TOCSY' . . . 18849 1 7 '3D H(CCO)NH' . . . 18849 1 8 '3D HBHA(CO)NH' . . . 18849 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 1 1 GLU HA H 1 4.354 0.001 . 1 . . . . 130 GLU HA . 18849 1 2 . 1 1 1 1 GLU HB2 H 1 1.949 0.001 . 2 . . . . 130 GLU HB2 . 18849 1 3 . 1 1 1 1 GLU HB3 H 1 2.087 0.001 . 2 . . . . 130 GLU HB3 . 18849 1 4 . 1 1 1 1 GLU HG2 H 1 2.308 0.000 . 2 . . . . 130 GLU HG2 . 18849 1 5 . 1 1 1 1 GLU HG3 H 1 2.308 0.000 . 2 . . . . 130 GLU HG3 . 18849 1 6 . 1 1 1 1 GLU C C 13 176.076 0.020 . 1 . . . . 130 GLU C . 18849 1 7 . 1 1 1 1 GLU CA C 13 56.567 0.000 . 1 . . . . 130 GLU CA . 18849 1 8 . 1 1 1 1 GLU CB C 13 30.322 0.016 . 1 . . . . 130 GLU CB . 18849 1 9 . 1 1 1 1 GLU CG C 13 36.250 0.000 . 1 . . . . 130 GLU CG . 18849 1 10 . 1 1 2 2 ASP H H 1 8.483 0.004 . 1 . . . . 131 ASP H . 18849 1 11 . 1 1 2 2 ASP HA H 1 4.570 0.002 . 1 . . . . 131 ASP HA . 18849 1 12 . 1 1 2 2 ASP HB2 H 1 2.520 0.000 . 2 . . . . 131 ASP HB2 . 18849 1 13 . 1 1 2 2 ASP HB3 H 1 2.680 0.000 . 2 . . . . 131 ASP HB3 . 18849 1 14 . 1 1 2 2 ASP C C 13 176.209 0.000 . 1 . . . . 131 ASP C . 18849 1 15 . 1 1 2 2 ASP CA C 13 54.463 0.000 . 1 . . . . 131 ASP CA . 18849 1 16 . 1 1 2 2 ASP CB C 13 41.280 0.000 . 1 . . . . 131 ASP CB . 18849 1 17 . 1 1 2 2 ASP N N 15 122.755 0.038 . 1 . . . . 131 ASP N . 18849 1 18 . 1 1 3 3 GLU H H 1 8.395 0.003 . 1 . . . . 132 GLU H . 18849 1 19 . 1 1 3 3 GLU HA H 1 4.341 0.000 . 1 . . . . 132 GLU HA . 18849 1 20 . 1 1 3 3 GLU HB2 H 1 2.001 0.000 . 2 . . . . 132 GLU HB2 . 18849 1 21 . 1 1 3 3 GLU HB3 H 1 2.001 0.000 . 2 . . . . 132 GLU HB3 . 18849 1 22 . 1 1 3 3 GLU HG2 H 1 2.288 0.000 . 2 . . . . 132 GLU HG2 . 18849 1 23 . 1 1 3 3 GLU HG3 H 1 2.288 0.000 . 2 . . . . 132 GLU HG3 . 18849 1 24 . 1 1 3 3 GLU C C 13 176.508 0.000 . 1 . . . . 132 GLU C . 18849 1 25 . 1 1 3 3 GLU CA C 13 56.584 0.000 . 1 . . . . 132 GLU CA . 18849 1 26 . 1 1 3 3 GLU CB C 13 30.438 0.000 . 1 . . . . 132 GLU CB . 18849 1 27 . 1 1 3 3 GLU CG C 13 36.364 0.000 . 1 . . . . 132 GLU CG . 18849 1 28 . 1 1 3 3 GLU N N 15 122.910 0.128 . 1 . . . . 132 GLU N . 18849 1 29 . 1 1 4 4 VAL H H 1 8.206 0.008 . 1 . . . . 133 VAL H . 18849 1 30 . 1 1 4 4 VAL HA H 1 4.144 0.008 . 1 . . . . 133 VAL HA . 18849 1 31 . 1 1 4 4 VAL HB H 1 2.124 0.001 . 1 . . . . 133 VAL HB . 18849 1 32 . 1 1 4 4 VAL HG11 H 1 0.999 0.007 . 2 . . . . 133 VAL QG1 . 18849 1 33 . 1 1 4 4 VAL HG12 H 1 0.999 0.007 . 2 . . . . 133 VAL QG1 . 18849 1 34 . 1 1 4 4 VAL HG13 H 1 0.999 0.007 . 2 . . . . 133 VAL QG1 . 18849 1 35 . 1 1 4 4 VAL C C 13 176.075 0.000 . 1 . . . . 133 VAL C . 18849 1 36 . 1 1 4 4 VAL CA C 13 62.071 0.136 . 1 . . . . 133 VAL CA . 18849 1 37 . 1 1 4 4 VAL CB C 13 32.976 0.000 . 1 . . . . 133 VAL CB . 18849 1 38 . 1 1 4 4 VAL CG1 C 13 21.102 0.030 . 1 . . . . 133 VAL CG1 . 18849 1 39 . 1 1 4 4 VAL CG2 C 13 23.182 0.000 . 1 . . . . 133 VAL CG2 . 18849 1 40 . 1 1 4 4 VAL N N 15 118.385 0.105 . 1 . . . . 133 VAL N . 18849 1 41 . 1 1 5 5 ALA H H 1 8.446 0.003 . 1 . . . . 134 ALA H . 18849 1 42 . 1 1 5 5 ALA HA H 1 4.373 0.011 . 1 . . . . 134 ALA HA . 18849 1 43 . 1 1 5 5 ALA HB1 H 1 1.458 0.006 . 1 . . . . 134 ALA QB . 18849 1 44 . 1 1 5 5 ALA HB2 H 1 1.458 0.006 . 1 . . . . 134 ALA QB . 18849 1 45 . 1 1 5 5 ALA HB3 H 1 1.458 0.006 . 1 . . . . 134 ALA QB . 18849 1 46 . 1 1 5 5 ALA C C 13 177.439 0.000 . 1 . . . . 134 ALA C . 18849 1 47 . 1 1 5 5 ALA CA C 13 53.028 0.182 . 1 . . . . 134 ALA CA . 18849 1 48 . 1 1 5 5 ALA CB C 13 19.166 0.031 . 1 . . . . 134 ALA CB . 18849 1 49 . 1 1 5 5 ALA N N 15 130.078 0.029 . 1 . . . . 134 ALA N . 18849 1 50 . 1 1 6 6 GLN H H 1 8.414 0.005 . 1 . . . . 135 GLN H . 18849 1 51 . 1 1 6 6 GLN HA H 1 4.508 0.018 . 1 . . . . 135 GLN HA . 18849 1 52 . 1 1 6 6 GLN HB2 H 1 1.966 0.000 . 2 . . . . 135 GLN HB2 . 18849 1 53 . 1 1 6 6 GLN HB3 H 1 2.012 0.058 . 2 . . . . 135 GLN HB3 . 18849 1 54 . 1 1 6 6 GLN HG2 H 1 2.397 0.000 . 2 . . . . 135 GLN HG2 . 18849 1 55 . 1 1 6 6 GLN HG3 H 1 2.442 0.000 . 2 . . . . 135 GLN HG3 . 18849 1 56 . 1 1 6 6 GLN C C 13 173.985 0.000 . 1 . . . . 135 GLN C . 18849 1 57 . 1 1 6 6 GLN CA C 13 56.191 0.000 . 1 . . . . 135 GLN CA . 18849 1 58 . 1 1 6 6 GLN CB C 13 30.246 0.047 . 1 . . . . 135 GLN CB . 18849 1 59 . 1 1 6 6 GLN CG C 13 33.990 0.061 . 1 . . . . 135 GLN CG . 18849 1 60 . 1 1 6 6 GLN N N 15 119.446 0.060 . 1 . . . . 135 GLN N . 18849 1 61 . 1 1 7 7 ARG H H 1 7.746 0.002 . 1 . . . . 136 ARG H . 18849 1 62 . 1 1 7 7 ARG HA H 1 5.498 0.002 . 1 . . . . 136 ARG HA . 18849 1 63 . 1 1 7 7 ARG HB2 H 1 1.682 0.000 . 2 . . . . 136 ARG HB2 . 18849 1 64 . 1 1 7 7 ARG HB3 H 1 1.682 0.000 . 2 . . . . 136 ARG HB3 . 18849 1 65 . 1 1 7 7 ARG HG2 H 1 1.328 0.000 . 2 . . . . 136 ARG HG2 . 18849 1 66 . 1 1 7 7 ARG HG3 H 1 1.398 0.000 . 2 . . . . 136 ARG HG3 . 18849 1 67 . 1 1 7 7 ARG HD2 H 1 3.086 0.001 . 2 . . . . 136 ARG HD2 . 18849 1 68 . 1 1 7 7 ARG HD3 H 1 3.086 0.001 . 2 . . . . 136 ARG HD3 . 18849 1 69 . 1 1 7 7 ARG C C 13 175.135 0.000 . 1 . . . . 136 ARG C . 18849 1 70 . 1 1 7 7 ARG CA C 13 54.751 0.000 . 1 . . . . 136 ARG CA . 18849 1 71 . 1 1 7 7 ARG CB C 13 32.713 0.000 . 1 . . . . 136 ARG CB . 18849 1 72 . 1 1 7 7 ARG CG C 13 28.136 0.005 . 1 . . . . 136 ARG CG . 18849 1 73 . 1 1 7 7 ARG CD C 13 43.520 0.031 . 1 . . . . 136 ARG CD . 18849 1 74 . 1 1 7 7 ARG N N 15 121.502 0.023 . 1 . . . . 136 ARG N . 18849 1 75 . 1 1 8 8 ILE H H 1 9.245 0.005 . 1 . . . . 137 ILE H . 18849 1 76 . 1 1 8 8 ILE HA H 1 4.409 0.013 . 1 . . . . 137 ILE HA . 18849 1 77 . 1 1 8 8 ILE HB H 1 1.612 0.009 . 1 . . . . 137 ILE HB . 18849 1 78 . 1 1 8 8 ILE HG12 H 1 1.100 0.000 . 2 . . . . 137 ILE HG12 . 18849 1 79 . 1 1 8 8 ILE HG13 H 1 1.540 0.000 . 2 . . . . 137 ILE HG13 . 18849 1 80 . 1 1 8 8 ILE HG21 H 1 0.624 0.008 . 1 . . . . 137 ILE QG2 . 18849 1 81 . 1 1 8 8 ILE HG22 H 1 0.624 0.008 . 1 . . . . 137 ILE QG2 . 18849 1 82 . 1 1 8 8 ILE HG23 H 1 0.624 0.008 . 1 . . . . 137 ILE QG2 . 18849 1 83 . 1 1 8 8 ILE HD11 H 1 0.435 0.009 . 1 . . . . 137 ILE QD1 . 18849 1 84 . 1 1 8 8 ILE HD12 H 1 0.435 0.009 . 1 . . . . 137 ILE QD1 . 18849 1 85 . 1 1 8 8 ILE HD13 H 1 0.435 0.009 . 1 . . . . 137 ILE QD1 . 18849 1 86 . 1 1 8 8 ILE C C 13 173.336 0.000 . 1 . . . . 137 ILE C . 18849 1 87 . 1 1 8 8 ILE CA C 13 60.663 0.130 . 1 . . . . 137 ILE CA . 18849 1 88 . 1 1 8 8 ILE CB C 13 41.150 0.000 . 1 . . . . 137 ILE CB . 18849 1 89 . 1 1 8 8 ILE CG1 C 13 26.428 0.072 . 1 . . . . 137 ILE CG1 . 18849 1 90 . 1 1 8 8 ILE CG2 C 13 18.598 0.000 . 1 . . . . 137 ILE CG2 . 18849 1 91 . 1 1 8 8 ILE CD1 C 13 14.111 0.000 . 1 . . . . 137 ILE CD1 . 18849 1 92 . 1 1 8 8 ILE N N 15 126.515 0.077 . 1 . . . . 137 ILE N . 18849 1 93 . 1 1 9 9 GLU H H 1 8.215 0.002 . 1 . . . . 138 GLU H . 18849 1 94 . 1 1 9 9 GLU HA H 1 5.112 0.007 . 1 . . . . 138 GLU HA . 18849 1 95 . 1 1 9 9 GLU HB2 H 1 1.857 0.006 . 2 . . . . 138 GLU HB2 . 18849 1 96 . 1 1 9 9 GLU HB3 H 1 1.942 0.009 . 2 . . . . 138 GLU HB3 . 18849 1 97 . 1 1 9 9 GLU HG2 H 1 2.147 0.009 . 2 . . . . 138 GLU HG2 . 18849 1 98 . 1 1 9 9 GLU HG3 H 1 2.147 0.009 . 2 . . . . 138 GLU HG3 . 18849 1 99 . 1 1 9 9 GLU C C 13 174.806 0.000 . 1 . . . . 138 GLU C . 18849 1 100 . 1 1 9 9 GLU CA C 13 54.847 0.226 . 1 . . . . 138 GLU CA . 18849 1 101 . 1 1 9 9 GLU CB C 13 32.551 0.008 . 1 . . . . 138 GLU CB . 18849 1 102 . 1 1 9 9 GLU CG C 13 36.098 0.000 . 1 . . . . 138 GLU CG . 18849 1 103 . 1 1 9 9 GLU N N 15 125.172 0.105 . 1 . . . . 138 GLU N . 18849 1 104 . 1 1 10 10 PHE H H 1 9.208 0.004 . 1 . . . . 139 PHE H . 18849 1 105 . 1 1 10 10 PHE HA H 1 4.853 0.009 . 1 . . . . 139 PHE HA . 18849 1 106 . 1 1 10 10 PHE HB2 H 1 3.068 0.011 . 2 . . . . 139 PHE HB2 . 18849 1 107 . 1 1 10 10 PHE HB3 H 1 3.344 0.006 . 2 . . . . 139 PHE HB3 . 18849 1 108 . 1 1 10 10 PHE HD1 H 1 7.271 0.002 . 1 . . . . 139 PHE HD1 . 18849 1 109 . 1 1 10 10 PHE HD2 H 1 7.271 0.002 . 1 . . . . 139 PHE HD2 . 18849 1 110 . 1 1 10 10 PHE HE1 H 1 7.067 0.000 . 1 . . . . 139 PHE HE1 . 18849 1 111 . 1 1 10 10 PHE HE2 H 1 7.067 0.000 . 1 . . . . 139 PHE HE2 . 18849 1 112 . 1 1 10 10 PHE C C 13 175.439 0.000 . 1 . . . . 139 PHE C . 18849 1 113 . 1 1 10 10 PHE CA C 13 56.105 0.149 . 1 . . . . 139 PHE CA . 18849 1 114 . 1 1 10 10 PHE CB C 13 40.502 0.163 . 1 . . . . 139 PHE CB . 18849 1 115 . 1 1 10 10 PHE CD1 C 13 132.180 0.109 . 1 . . . . 139 PHE CD1 . 18849 1 116 . 1 1 10 10 PHE N N 15 125.269 0.031 . 1 . . . . 139 PHE N . 18849 1 117 . 1 1 11 11 ASP H H 1 9.136 0.006 . 1 . . . . 140 ASP H . 18849 1 118 . 1 1 11 11 ASP HA H 1 4.153 0.010 . 1 . . . . 140 ASP HA . 18849 1 119 . 1 1 11 11 ASP HB2 H 1 2.892 0.008 . 2 . . . . 140 ASP HB2 . 18849 1 120 . 1 1 11 11 ASP HB3 H 1 2.892 0.008 . 2 . . . . 140 ASP HB3 . 18849 1 121 . 1 1 11 11 ASP C C 13 175.113 0.000 . 1 . . . . 140 ASP C . 18849 1 122 . 1 1 11 11 ASP CA C 13 57.561 0.012 . 1 . . . . 140 ASP CA . 18849 1 123 . 1 1 11 11 ASP CB C 13 40.199 0.133 . 1 . . . . 140 ASP CB . 18849 1 124 . 1 1 11 11 ASP N N 15 123.686 0.015 . 1 . . . . 140 ASP N . 18849 1 125 . 1 1 12 12 ASP H H 1 8.904 0.002 . 1 . . . . 141 ASP H . 18849 1 126 . 1 1 12 12 ASP HA H 1 4.614 0.010 . 1 . . . . 141 ASP HA . 18849 1 127 . 1 1 12 12 ASP HB2 H 1 2.807 0.013 . 2 . . . . 141 ASP HB2 . 18849 1 128 . 1 1 12 12 ASP HB3 H 1 2.807 0.013 . 2 . . . . 141 ASP HB3 . 18849 1 129 . 1 1 12 12 ASP C C 13 175.190 0.003 . 1 . . . . 141 ASP C . 18849 1 130 . 1 1 12 12 ASP CA C 13 54.618 0.000 . 1 . . . . 141 ASP CA . 18849 1 131 . 1 1 12 12 ASP CB C 13 40.833 0.217 . 1 . . . . 141 ASP CB . 18849 1 132 . 1 1 12 12 ASP N N 15 122.106 0.031 . 1 . . . . 141 ASP N . 18849 1 133 . 1 1 13 13 LEU H H 1 8.258 0.003 . 1 . . . . 142 LEU H . 18849 1 134 . 1 1 13 13 LEU HA H 1 5.422 0.010 . 1 . . . . 142 LEU HA . 18849 1 135 . 1 1 13 13 LEU HB2 H 1 1.552 0.011 . 2 . . . . 142 LEU HB2 . 18849 1 136 . 1 1 13 13 LEU HB3 H 1 2.328 0.012 . 2 . . . . 142 LEU HB3 . 18849 1 137 . 1 1 13 13 LEU HG H 1 1.656 0.006 . 1 . . . . 142 LEU HG . 18849 1 138 . 1 1 13 13 LEU HD11 H 1 1.064 0.007 . 2 . . . . 142 LEU QD1 . 18849 1 139 . 1 1 13 13 LEU HD12 H 1 1.064 0.007 . 2 . . . . 142 LEU QD1 . 18849 1 140 . 1 1 13 13 LEU HD13 H 1 1.064 0.007 . 2 . . . . 142 LEU QD1 . 18849 1 141 . 1 1 13 13 LEU HD21 H 1 1.129 0.009 . 2 . . . . 142 LEU QD2 . 18849 1 142 . 1 1 13 13 LEU HD22 H 1 1.129 0.009 . 2 . . . . 142 LEU QD2 . 18849 1 143 . 1 1 13 13 LEU HD23 H 1 1.129 0.009 . 2 . . . . 142 LEU QD2 . 18849 1 144 . 1 1 13 13 LEU C C 13 174.576 0.000 . 1 . . . . 142 LEU C . 18849 1 145 . 1 1 13 13 LEU CA C 13 54.480 0.142 . 1 . . . . 142 LEU CA . 18849 1 146 . 1 1 13 13 LEU CB C 13 45.155 0.229 . 1 . . . . 142 LEU CB . 18849 1 147 . 1 1 13 13 LEU CG C 13 28.087 0.130 . 1 . . . . 142 LEU CG . 18849 1 148 . 1 1 13 13 LEU CD1 C 13 24.618 0.110 . 1 . . . . 142 LEU CD1 . 18849 1 149 . 1 1 13 13 LEU CD2 C 13 27.018 0.157 . 1 . . . . 142 LEU CD2 . 18849 1 150 . 1 1 13 13 LEU N N 15 128.520 0.036 . 1 . . . . 142 LEU N . 18849 1 151 . 1 1 14 14 VAL H H 1 9.072 0.005 . 1 . . . . 143 VAL H . 18849 1 152 . 1 1 14 14 VAL HA H 1 4.844 0.006 . 1 . . . . 143 VAL HA . 18849 1 153 . 1 1 14 14 VAL HB H 1 2.135 0.003 . 1 . . . . 143 VAL HB . 18849 1 154 . 1 1 14 14 VAL HG11 H 1 0.843 0.015 . 2 . . . . 143 VAL QG1 . 18849 1 155 . 1 1 14 14 VAL HG12 H 1 0.843 0.015 . 2 . . . . 143 VAL QG1 . 18849 1 156 . 1 1 14 14 VAL HG13 H 1 0.843 0.015 . 2 . . . . 143 VAL QG1 . 18849 1 157 . 1 1 14 14 VAL HG21 H 1 0.879 0.011 . 2 . . . . 143 VAL QG2 . 18849 1 158 . 1 1 14 14 VAL HG22 H 1 0.879 0.011 . 2 . . . . 143 VAL QG2 . 18849 1 159 . 1 1 14 14 VAL HG23 H 1 0.879 0.011 . 2 . . . . 143 VAL QG2 . 18849 1 160 . 1 1 14 14 VAL C C 13 175.384 0.000 . 1 . . . . 143 VAL C . 18849 1 161 . 1 1 14 14 VAL CA C 13 61.911 0.126 . 1 . . . . 143 VAL CA . 18849 1 162 . 1 1 14 14 VAL CB C 13 34.414 0.000 . 1 . . . . 143 VAL CB . 18849 1 163 . 1 1 14 14 VAL CG1 C 13 21.180 0.106 . 1 . . . . 143 VAL CG1 . 18849 1 164 . 1 1 14 14 VAL CG2 C 13 21.237 0.160 . 1 . . . . 143 VAL CG2 . 18849 1 165 . 1 1 14 14 VAL N N 15 127.686 0.020 . 1 . . . . 143 VAL N . 18849 1 166 . 1 1 15 15 ILE H H 1 9.189 0.004 . 1 . . . . 144 ILE H . 18849 1 167 . 1 1 15 15 ILE HA H 1 4.878 0.009 . 1 . . . . 144 ILE HA . 18849 1 168 . 1 1 15 15 ILE HB H 1 1.955 0.004 . 1 . . . . 144 ILE HB . 18849 1 169 . 1 1 15 15 ILE HG12 H 1 1.747 0.000 . 2 . . . . 144 ILE HG12 . 18849 1 170 . 1 1 15 15 ILE HG13 H 1 1.747 0.000 . 2 . . . . 144 ILE HG13 . 18849 1 171 . 1 1 15 15 ILE HG21 H 1 1.186 0.007 . 1 . . . . 144 ILE QG2 . 18849 1 172 . 1 1 15 15 ILE HG22 H 1 1.186 0.007 . 1 . . . . 144 ILE QG2 . 18849 1 173 . 1 1 15 15 ILE HG23 H 1 1.186 0.007 . 1 . . . . 144 ILE QG2 . 18849 1 174 . 1 1 15 15 ILE HD11 H 1 0.758 0.009 . 1 . . . . 144 ILE QD1 . 18849 1 175 . 1 1 15 15 ILE HD12 H 1 0.758 0.009 . 1 . . . . 144 ILE QD1 . 18849 1 176 . 1 1 15 15 ILE HD13 H 1 0.758 0.009 . 1 . . . . 144 ILE QD1 . 18849 1 177 . 1 1 15 15 ILE C C 13 173.617 0.000 . 1 . . . . 144 ILE C . 18849 1 178 . 1 1 15 15 ILE CA C 13 60.900 0.163 . 1 . . . . 144 ILE CA . 18849 1 179 . 1 1 15 15 ILE CB C 13 40.947 0.144 . 1 . . . . 144 ILE CB . 18849 1 180 . 1 1 15 15 ILE CG1 C 13 27.561 0.087 . 1 . . . . 144 ILE CG1 . 18849 1 181 . 1 1 15 15 ILE CG2 C 13 14.594 0.000 . 1 . . . . 144 ILE CG2 . 18849 1 182 . 1 1 15 15 ILE CD1 C 13 15.029 0.117 . 1 . . . . 144 ILE CD1 . 18849 1 183 . 1 1 15 15 ILE N N 15 129.514 0.019 . 1 . . . . 144 ILE N . 18849 1 184 . 1 1 16 16 ASP H H 1 9.108 0.002 . 1 . . . . 145 ASP H . 18849 1 185 . 1 1 16 16 ASP HA H 1 5.207 0.008 . 1 . . . . 145 ASP HA . 18849 1 186 . 1 1 16 16 ASP HB2 H 1 2.240 0.006 . 2 . . . . 145 ASP HB2 . 18849 1 187 . 1 1 16 16 ASP HB3 H 1 3.224 0.010 . 2 . . . . 145 ASP HB3 . 18849 1 188 . 1 1 16 16 ASP C C 13 175.987 0.000 . 1 . . . . 145 ASP C . 18849 1 189 . 1 1 16 16 ASP CA C 13 52.508 0.163 . 1 . . . . 145 ASP CA . 18849 1 190 . 1 1 16 16 ASP CB C 13 42.668 0.138 . 1 . . . . 145 ASP CB . 18849 1 191 . 1 1 16 16 ASP N N 15 127.904 0.031 . 1 . . . . 145 ASP N . 18849 1 192 . 1 1 17 17 ASN H H 1 9.089 0.003 . 1 . . . . 146 ASN H . 18849 1 193 . 1 1 17 17 ASN HA H 1 4.517 0.009 . 1 . . . . 146 ASN HA . 18849 1 194 . 1 1 17 17 ASN HB2 H 1 0.707 0.010 . 2 . . . . 146 ASN HB2 . 18849 1 195 . 1 1 17 17 ASN HB3 H 1 2.077 0.012 . 2 . . . . 146 ASN HB3 . 18849 1 196 . 1 1 17 17 ASN C C 13 176.794 0.000 . 1 . . . . 146 ASN C . 18849 1 197 . 1 1 17 17 ASN CA C 13 54.319 0.000 . 1 . . . . 146 ASN CA . 18849 1 198 . 1 1 17 17 ASN CB C 13 38.261 0.163 . 1 . . . . 146 ASN CB . 18849 1 199 . 1 1 17 17 ASN N N 15 125.808 0.037 . 1 . . . . 146 ASN N . 18849 1 200 . 1 1 18 18 GLY H H 1 8.627 0.003 . 1 . . . . 147 GLY H . 18849 1 201 . 1 1 18 18 GLY HA2 H 1 3.738 0.008 . 2 . . . . 147 GLY HA2 . 18849 1 202 . 1 1 18 18 GLY HA3 H 1 3.828 0.006 . 2 . . . . 147 GLY HA3 . 18849 1 203 . 1 1 18 18 GLY C C 13 175.375 0.000 . 1 . . . . 147 GLY C . 18849 1 204 . 1 1 18 18 GLY CA C 13 46.750 0.119 . 1 . . . . 147 GLY CA . 18849 1 205 . 1 1 18 18 GLY N N 15 109.608 0.030 . 1 . . . . 147 GLY N . 18849 1 206 . 1 1 19 19 GLY H H 1 7.142 0.008 . 1 . . . . 148 GLY H . 18849 1 207 . 1 1 19 19 GLY HA2 H 1 3.393 0.009 . 2 . . . . 148 GLY HA2 . 18849 1 208 . 1 1 19 19 GLY HA3 H 1 4.204 0.013 . 2 . . . . 148 GLY HA3 . 18849 1 209 . 1 1 19 19 GLY C C 13 173.514 0.000 . 1 . . . . 148 GLY C . 18849 1 210 . 1 1 19 19 GLY CA C 13 44.677 0.164 . 1 . . . . 148 GLY CA . 18849 1 211 . 1 1 19 19 GLY N N 15 107.751 0.030 . 1 . . . . 148 GLY N . 18849 1 212 . 1 1 20 20 ARG H H 1 7.494 0.002 . 1 . . . . 149 ARG H . 18849 1 213 . 1 1 20 20 ARG HA H 1 3.283 0.012 . 1 . . . . 149 ARG HA . 18849 1 214 . 1 1 20 20 ARG HB2 H 1 0.780 0.143 . 2 . . . . 149 ARG HB2 . 18849 1 215 . 1 1 20 20 ARG HB3 H 1 1.378 0.007 . 2 . . . . 149 ARG HB3 . 18849 1 216 . 1 1 20 20 ARG HG2 H 1 0.639 0.000 . 2 . . . . 149 ARG HG2 . 18849 1 217 . 1 1 20 20 ARG HG3 H 1 1.036 0.000 . 2 . . . . 149 ARG HG3 . 18849 1 218 . 1 1 20 20 ARG HD2 H 1 2.792 0.011 . 2 . . . . 149 ARG HD2 . 18849 1 219 . 1 1 20 20 ARG HD3 H 1 2.792 0.011 . 2 . . . . 149 ARG HD3 . 18849 1 220 . 1 1 20 20 ARG C C 13 174.435 0.000 . 1 . . . . 149 ARG C . 18849 1 221 . 1 1 20 20 ARG CA C 13 57.321 0.135 . 1 . . . . 149 ARG CA . 18849 1 222 . 1 1 20 20 ARG CB C 13 27.171 0.011 . 1 . . . . 149 ARG CB . 18849 1 223 . 1 1 20 20 ARG CD C 13 43.489 0.170 . 1 . . . . 149 ARG CD . 18849 1 224 . 1 1 20 20 ARG N N 15 120.802 0.036 . 1 . . . . 149 ARG N . 18849 1 225 . 1 1 21 21 SER H H 1 8.352 0.002 . 1 . . . . 150 SER H . 18849 1 226 . 1 1 21 21 SER HA H 1 4.340 0.627 . 1 . . . . 150 SER HA . 18849 1 227 . 1 1 21 21 SER HB2 H 1 4.221 0.676 . 2 . . . . 150 SER HB2 . 18849 1 228 . 1 1 21 21 SER HB3 H 1 4.502 0.560 . 2 . . . . 150 SER HB3 . 18849 1 229 . 1 1 21 21 SER C C 13 172.912 0.000 . 1 . . . . 150 SER C . 18849 1 230 . 1 1 21 21 SER CA C 13 56.148 0.159 . 1 . . . . 150 SER CA . 18849 1 231 . 1 1 21 21 SER CB C 13 67.105 0.202 . 1 . . . . 150 SER CB . 18849 1 232 . 1 1 21 21 SER N N 15 114.173 0.021 . 1 . . . . 150 SER N . 18849 1 233 . 1 1 22 22 VAL H H 1 9.236 0.006 . 1 . . . . 151 VAL H . 18849 1 234 . 1 1 22 22 VAL HA H 1 5.090 0.007 . 1 . . . . 151 VAL HA . 18849 1 235 . 1 1 22 22 VAL HB H 1 2.205 0.007 . 1 . . . . 151 VAL HB . 18849 1 236 . 1 1 22 22 VAL HG11 H 1 0.883 0.024 . 2 . . . . 151 VAL QG1 . 18849 1 237 . 1 1 22 22 VAL HG12 H 1 0.883 0.024 . 2 . . . . 151 VAL QG1 . 18849 1 238 . 1 1 22 22 VAL HG13 H 1 0.883 0.024 . 2 . . . . 151 VAL QG1 . 18849 1 239 . 1 1 22 22 VAL HG21 H 1 0.931 0.012 . 2 . . . . 151 VAL QG2 . 18849 1 240 . 1 1 22 22 VAL HG22 H 1 0.931 0.012 . 2 . . . . 151 VAL QG2 . 18849 1 241 . 1 1 22 22 VAL HG23 H 1 0.931 0.012 . 2 . . . . 151 VAL QG2 . 18849 1 242 . 1 1 22 22 VAL C C 13 174.803 0.000 . 1 . . . . 151 VAL C . 18849 1 243 . 1 1 22 22 VAL CA C 13 61.270 0.078 . 1 . . . . 151 VAL CA . 18849 1 244 . 1 1 22 22 VAL CB C 13 35.182 0.183 . 1 . . . . 151 VAL CB . 18849 1 245 . 1 1 22 22 VAL CG1 C 13 21.822 0.094 . 1 . . . . 151 VAL CG1 . 18849 1 246 . 1 1 22 22 VAL CG2 C 13 21.822 0.094 . 1 . . . . 151 VAL CG2 . 18849 1 247 . 1 1 22 22 VAL N N 15 126.825 0.027 . 1 . . . . 151 VAL N . 18849 1 248 . 1 1 23 23 THR H H 1 9.158 0.004 . 1 . . . . 152 THR H . 18849 1 249 . 1 1 23 23 THR HA H 1 5.311 0.014 . 1 . . . . 152 THR HA . 18849 1 250 . 1 1 23 23 THR HB H 1 3.706 0.010 . 1 . . . . 152 THR HB . 18849 1 251 . 1 1 23 23 THR HG21 H 1 1.002 0.010 . 1 . . . . 152 THR QG2 . 18849 1 252 . 1 1 23 23 THR HG22 H 1 1.002 0.010 . 1 . . . . 152 THR QG2 . 18849 1 253 . 1 1 23 23 THR HG23 H 1 1.002 0.010 . 1 . . . . 152 THR QG2 . 18849 1 254 . 1 1 23 23 THR C C 13 173.226 0.000 . 1 . . . . 152 THR C . 18849 1 255 . 1 1 23 23 THR CA C 13 59.444 0.137 . 1 . . . . 152 THR CA . 18849 1 256 . 1 1 23 23 THR CB C 13 71.588 0.003 . 1 . . . . 152 THR CB . 18849 1 257 . 1 1 23 23 THR CG2 C 13 20.965 0.105 . 1 . . . . 152 THR CG2 . 18849 1 258 . 1 1 23 23 THR N N 15 118.726 0.022 . 1 . . . . 152 THR N . 18849 1 259 . 1 1 24 24 LEU H H 1 8.993 0.003 . 1 . . . . 153 LEU H . 18849 1 260 . 1 1 24 24 LEU HA H 1 5.307 0.009 . 1 . . . . 153 LEU HA . 18849 1 261 . 1 1 24 24 LEU HB2 H 1 1.154 0.011 . 2 . . . . 153 LEU HB2 . 18849 1 262 . 1 1 24 24 LEU HB3 H 1 1.890 0.009 . 2 . . . . 153 LEU HB3 . 18849 1 263 . 1 1 24 24 LEU HG H 1 1.417 0.004 . 1 . . . . 153 LEU HG . 18849 1 264 . 1 1 24 24 LEU HD11 H 1 0.851 0.009 . 2 . . . . 153 LEU QD1 . 18849 1 265 . 1 1 24 24 LEU HD12 H 1 0.851 0.009 . 2 . . . . 153 LEU QD1 . 18849 1 266 . 1 1 24 24 LEU HD13 H 1 0.851 0.009 . 2 . . . . 153 LEU QD1 . 18849 1 267 . 1 1 24 24 LEU HD21 H 1 0.841 0.009 . 2 . . . . 153 LEU QD2 . 18849 1 268 . 1 1 24 24 LEU HD22 H 1 0.841 0.009 . 2 . . . . 153 LEU QD2 . 18849 1 269 . 1 1 24 24 LEU HD23 H 1 0.841 0.009 . 2 . . . . 153 LEU QD2 . 18849 1 270 . 1 1 24 24 LEU C C 13 177.674 0.000 . 1 . . . . 153 LEU C . 18849 1 271 . 1 1 24 24 LEU CA C 13 53.440 0.187 . 1 . . . . 153 LEU CA . 18849 1 272 . 1 1 24 24 LEU CB C 13 45.205 0.169 . 1 . . . . 153 LEU CB . 18849 1 273 . 1 1 24 24 LEU CG C 13 27.802 0.155 . 1 . . . . 153 LEU CG . 18849 1 274 . 1 1 24 24 LEU CD1 C 13 23.960 0.119 . 1 . . . . 153 LEU CD1 . 18849 1 275 . 1 1 24 24 LEU CD2 C 13 25.779 0.124 . 1 . . . . 153 LEU CD2 . 18849 1 276 . 1 1 24 24 LEU N N 15 126.050 0.034 . 1 . . . . 153 LEU N . 18849 1 277 . 1 1 25 25 ASN H H 1 9.723 0.002 . 1 . . . . 154 ASN H . 18849 1 278 . 1 1 25 25 ASN HA H 1 4.547 0.008 . 1 . . . . 154 ASN HA . 18849 1 279 . 1 1 25 25 ASN HB2 H 1 2.822 0.006 . 2 . . . . 154 ASN HB2 . 18849 1 280 . 1 1 25 25 ASN HB3 H 1 3.164 0.009 . 2 . . . . 154 ASN HB3 . 18849 1 281 . 1 1 25 25 ASN CA C 13 54.674 0.074 . 1 . . . . 154 ASN CA . 18849 1 282 . 1 1 25 25 ASN CB C 13 38.021 0.138 . 1 . . . . 154 ASN CB . 18849 1 283 . 1 1 25 25 ASN N N 15 128.707 0.018 . 1 . . . . 154 ASN N . 18849 1 284 . 1 1 26 26 GLY H H 1 8.840 0.002 . 1 . . . . 155 GLY H . 18849 1 285 . 1 1 26 26 GLY HA2 H 1 3.511 0.009 . 2 . . . . 155 GLY HA2 . 18849 1 286 . 1 1 26 26 GLY HA3 H 1 4.273 0.006 . 2 . . . . 155 GLY HA3 . 18849 1 287 . 1 1 26 26 GLY C C 13 173.491 0.000 . 1 . . . . 155 GLY C . 18849 1 288 . 1 1 26 26 GLY CA C 13 45.448 0.158 . 1 . . . . 155 GLY CA . 18849 1 289 . 1 1 26 26 GLY N N 15 103.710 0.026 . 1 . . . . 155 GLY N . 18849 1 290 . 1 1 27 27 GLU H H 1 7.656 0.002 . 1 . . . . 156 GLU H . 18849 1 291 . 1 1 27 27 GLU HA H 1 4.658 0.009 . 1 . . . . 156 GLU HA . 18849 1 292 . 1 1 27 27 GLU HB2 H 1 2.006 0.007 . 2 . . . . 156 GLU HB2 . 18849 1 293 . 1 1 27 27 GLU HB3 H 1 2.105 0.009 . 2 . . . . 156 GLU HB3 . 18849 1 294 . 1 1 27 27 GLU HG2 H 1 2.225 0.010 . 2 . . . . 156 GLU HG2 . 18849 1 295 . 1 1 27 27 GLU HG3 H 1 2.345 0.000 . 2 . . . . 156 GLU HG3 . 18849 1 296 . 1 1 27 27 GLU C C 13 175.388 0.000 . 1 . . . . 156 GLU C . 18849 1 297 . 1 1 27 27 GLU CA C 13 54.740 0.286 . 1 . . . . 156 GLU CA . 18849 1 298 . 1 1 27 27 GLU CB C 13 31.673 0.140 . 1 . . . . 156 GLU CB . 18849 1 299 . 1 1 27 27 GLU CG C 13 36.029 0.187 . 1 . . . . 156 GLU CG . 18849 1 300 . 1 1 27 27 GLU N N 15 122.468 0.040 . 1 . . . . 156 GLU N . 18849 1 301 . 1 1 28 28 LEU H H 1 8.640 0.002 . 1 . . . . 157 LEU H . 18849 1 302 . 1 1 28 28 LEU HA H 1 4.557 0.010 . 1 . . . . 157 LEU HA . 18849 1 303 . 1 1 28 28 LEU HB2 H 1 1.582 0.000 . 2 . . . . 157 LEU HB2 . 18849 1 304 . 1 1 28 28 LEU HB3 H 1 1.630 0.000 . 2 . . . . 157 LEU HB3 . 18849 1 305 . 1 1 28 28 LEU HG H 1 1.637 0.005 . 1 . . . . 157 LEU HG . 18849 1 306 . 1 1 28 28 LEU HD11 H 1 0.940 0.017 . 2 . . . . 157 LEU QD1 . 18849 1 307 . 1 1 28 28 LEU HD12 H 1 0.940 0.017 . 2 . . . . 157 LEU QD1 . 18849 1 308 . 1 1 28 28 LEU HD13 H 1 0.940 0.017 . 2 . . . . 157 LEU QD1 . 18849 1 309 . 1 1 28 28 LEU HD21 H 1 0.970 0.012 . 2 . . . . 157 LEU QD2 . 18849 1 310 . 1 1 28 28 LEU HD22 H 1 0.970 0.012 . 2 . . . . 157 LEU QD2 . 18849 1 311 . 1 1 28 28 LEU HD23 H 1 0.970 0.012 . 2 . . . . 157 LEU QD2 . 18849 1 312 . 1 1 28 28 LEU C C 13 177.343 0.000 . 1 . . . . 157 LEU C . 18849 1 313 . 1 1 28 28 LEU CA C 13 56.194 0.145 . 1 . . . . 157 LEU CA . 18849 1 314 . 1 1 28 28 LEU CB C 13 42.959 0.008 . 1 . . . . 157 LEU CB . 18849 1 315 . 1 1 28 28 LEU CG C 13 27.398 0.158 . 1 . . . . 157 LEU CG . 18849 1 316 . 1 1 28 28 LEU CD1 C 13 24.801 0.175 . 1 . . . . 157 LEU CD1 . 18849 1 317 . 1 1 28 28 LEU CD2 C 13 24.914 0.061 . 1 . . . . 157 LEU CD2 . 18849 1 318 . 1 1 28 28 LEU N N 15 127.573 0.025 . 1 . . . . 157 LEU N . 18849 1 319 . 1 1 29 29 VAL H H 1 8.798 0.005 . 1 . . . . 158 VAL H . 18849 1 320 . 1 1 29 29 VAL HA H 1 4.105 0.007 . 1 . . . . 158 VAL HA . 18849 1 321 . 1 1 29 29 VAL HB H 1 1.850 0.010 . 1 . . . . 158 VAL HB . 18849 1 322 . 1 1 29 29 VAL HG11 H 1 0.804 0.190 . 2 . . . . 158 VAL QG1 . 18849 1 323 . 1 1 29 29 VAL HG12 H 1 0.804 0.190 . 2 . . . . 158 VAL QG1 . 18849 1 324 . 1 1 29 29 VAL HG13 H 1 0.804 0.190 . 2 . . . . 158 VAL QG1 . 18849 1 325 . 1 1 29 29 VAL HG21 H 1 0.865 0.188 . 2 . . . . 158 VAL QG2 . 18849 1 326 . 1 1 29 29 VAL HG22 H 1 0.865 0.188 . 2 . . . . 158 VAL QG2 . 18849 1 327 . 1 1 29 29 VAL HG23 H 1 0.865 0.188 . 2 . . . . 158 VAL QG2 . 18849 1 328 . 1 1 29 29 VAL C C 13 175.090 0.000 . 1 . . . . 158 VAL C . 18849 1 329 . 1 1 29 29 VAL CA C 13 61.751 0.167 . 1 . . . . 158 VAL CA . 18849 1 330 . 1 1 29 29 VAL CB C 13 34.181 0.184 . 1 . . . . 158 VAL CB . 18849 1 331 . 1 1 29 29 VAL CG1 C 13 22.484 0.291 . 1 . . . . 158 VAL CG1 . 18849 1 332 . 1 1 29 29 VAL CG2 C 13 22.969 0.000 . 1 . . . . 158 VAL CG2 . 18849 1 333 . 1 1 29 29 VAL N N 15 128.458 0.020 . 1 . . . . 158 VAL N . 18849 1 334 . 1 1 30 30 ASP H H 1 8.537 0.003 . 1 . . . . 159 ASP H . 18849 1 335 . 1 1 30 30 ASP HA H 1 4.730 0.010 . 1 . . . . 159 ASP HA . 18849 1 336 . 1 1 30 30 ASP HB2 H 1 2.532 0.010 . 2 . . . . 159 ASP HB2 . 18849 1 337 . 1 1 30 30 ASP HB3 H 1 2.628 0.005 . 2 . . . . 159 ASP HB3 . 18849 1 338 . 1 1 30 30 ASP C C 13 175.064 0.000 . 1 . . . . 159 ASP C . 18849 1 339 . 1 1 30 30 ASP CA C 13 54.949 0.149 . 1 . . . . 159 ASP CA . 18849 1 340 . 1 1 30 30 ASP CB C 13 41.556 0.134 . 1 . . . . 159 ASP CB . 18849 1 341 . 1 1 30 30 ASP N N 15 128.392 0.024 . 1 . . . . 159 ASP N . 18849 1 342 . 1 1 31 31 PHE H H 1 8.420 0.002 . 1 . . . . 160 PHE H . 18849 1 343 . 1 1 31 31 PHE HA H 1 4.851 0.008 . 1 . . . . 160 PHE HA . 18849 1 344 . 1 1 31 31 PHE HB2 H 1 3.106 0.006 . 2 . . . . 160 PHE HB2 . 18849 1 345 . 1 1 31 31 PHE HB3 H 1 3.511 0.007 . 2 . . . . 160 PHE HB3 . 18849 1 346 . 1 1 31 31 PHE HD1 H 1 7.456 0.003 . 1 . . . . 160 PHE HD1 . 18849 1 347 . 1 1 31 31 PHE HD2 H 1 7.456 0.003 . 1 . . . . 160 PHE HD2 . 18849 1 348 . 1 1 31 31 PHE HE1 H 1 7.065 0.003 . 1 . . . . 160 PHE HE1 . 18849 1 349 . 1 1 31 31 PHE HE2 H 1 7.065 0.003 . 1 . . . . 160 PHE HE2 . 18849 1 350 . 1 1 31 31 PHE HZ H 1 7.030 0.004 . 1 . . . . 160 PHE HZ . 18849 1 351 . 1 1 31 31 PHE C C 13 177.414 0.000 . 1 . . . . 160 PHE C . 18849 1 352 . 1 1 31 31 PHE CA C 13 57.660 0.138 . 1 . . . . 160 PHE CA . 18849 1 353 . 1 1 31 31 PHE CB C 13 43.395 0.186 . 1 . . . . 160 PHE CB . 18849 1 354 . 1 1 31 31 PHE CD1 C 13 131.258 0.065 . 1 . . . . 160 PHE CD1 . 18849 1 355 . 1 1 31 31 PHE CE1 C 13 130.963 0.059 . 1 . . . . 160 PHE CE1 . 18849 1 356 . 1 1 31 31 PHE CZ C 13 128.949 0.000 . 1 . . . . 160 PHE CZ . 18849 1 357 . 1 1 31 31 PHE N N 15 126.428 0.038 . 1 . . . . 160 PHE N . 18849 1 358 . 1 1 32 32 THR H H 1 8.815 0.003 . 1 . . . . 161 THR H . 18849 1 359 . 1 1 32 32 THR HA H 1 4.617 0.009 . 1 . . . . 161 THR HA . 18849 1 360 . 1 1 32 32 THR HB H 1 4.737 0.009 . 1 . . . . 161 THR HB . 18849 1 361 . 1 1 32 32 THR HG21 H 1 1.322 0.009 . 1 . . . . 161 THR QG2 . 18849 1 362 . 1 1 32 32 THR HG22 H 1 1.322 0.009 . 1 . . . . 161 THR QG2 . 18849 1 363 . 1 1 32 32 THR HG23 H 1 1.322 0.009 . 1 . . . . 161 THR QG2 . 18849 1 364 . 1 1 32 32 THR C C 13 175.777 0.000 . 1 . . . . 161 THR C . 18849 1 365 . 1 1 32 32 THR CA C 13 61.228 0.092 . 1 . . . . 161 THR CA . 18849 1 366 . 1 1 32 32 THR CB C 13 70.304 0.114 . 1 . . . . 161 THR CB . 18849 1 367 . 1 1 32 32 THR CG2 C 13 21.879 0.080 . 1 . . . . 161 THR CG2 . 18849 1 368 . 1 1 32 32 THR N N 15 115.132 0.023 . 1 . . . . 161 THR N . 18849 1 369 . 1 1 33 33 SER H H 1 9.082 0.000 . 1 . . . . 162 SER H . 18849 1 370 . 1 1 33 33 SER HA H 1 3.993 0.000 . 1 . . . . 162 SER HA . 18849 1 371 . 1 1 33 33 SER HB2 H 1 4.272 0.002 . 2 . . . . 162 SER HB2 . 18849 1 372 . 1 1 33 33 SER HB3 H 1 4.272 0.002 . 2 . . . . 162 SER HB3 . 18849 1 373 . 1 1 33 33 SER C C 13 176.055 0.000 . 1 . . . . 162 SER C . 18849 1 374 . 1 1 33 33 SER CA C 13 62.382 0.000 . 1 . . . . 162 SER CA . 18849 1 375 . 1 1 33 33 SER CB C 13 62.159 0.000 . 1 . . . . 162 SER CB . 18849 1 376 . 1 1 33 33 SER N N 15 119.175 0.029 . 1 . . . . 162 SER N . 18849 1 377 . 1 1 34 34 ALA H H 1 8.257 0.009 . 1 . . . . 163 ALA H . 18849 1 378 . 1 1 34 34 ALA HA H 1 4.223 0.008 . 1 . . . . 163 ALA HA . 18849 1 379 . 1 1 34 34 ALA HB1 H 1 1.257 0.007 . 1 . . . . 163 ALA QB . 18849 1 380 . 1 1 34 34 ALA HB2 H 1 1.257 0.007 . 1 . . . . 163 ALA QB . 18849 1 381 . 1 1 34 34 ALA HB3 H 1 1.257 0.007 . 1 . . . . 163 ALA QB . 18849 1 382 . 1 1 34 34 ALA C C 13 182.058 0.000 . 1 . . . . 163 ALA C . 18849 1 383 . 1 1 34 34 ALA CA C 13 54.873 0.171 . 1 . . . . 163 ALA CA . 18849 1 384 . 1 1 34 34 ALA CB C 13 18.525 0.130 . 1 . . . . 163 ALA CB . 18849 1 385 . 1 1 34 34 ALA N N 15 122.442 0.344 . 1 . . . . 163 ALA N . 18849 1 386 . 1 1 35 35 GLU H H 1 7.762 0.002 . 1 . . . . 164 GLU H . 18849 1 387 . 1 1 35 35 GLU HA H 1 3.734 0.012 . 1 . . . . 164 GLU HA . 18849 1 388 . 1 1 35 35 GLU HB2 H 1 1.939 0.006 . 2 . . . . 164 GLU HB2 . 18849 1 389 . 1 1 35 35 GLU HB3 H 1 2.626 0.000 . 2 . . . . 164 GLU HB3 . 18849 1 390 . 1 1 35 35 GLU HG2 H 1 2.118 0.007 . 2 . . . . 164 GLU HG2 . 18849 1 391 . 1 1 35 35 GLU HG3 H 1 2.383 0.008 . 2 . . . . 164 GLU HG3 . 18849 1 392 . 1 1 35 35 GLU C C 13 177.870 0.000 . 1 . . . . 164 GLU C . 18849 1 393 . 1 1 35 35 GLU CA C 13 59.518 0.128 . 1 . . . . 164 GLU CA . 18849 1 394 . 1 1 35 35 GLU CB C 13 30.705 0.006 . 1 . . . . 164 GLU CB . 18849 1 395 . 1 1 35 35 GLU CG C 13 37.411 0.197 . 1 . . . . 164 GLU CG . 18849 1 396 . 1 1 35 35 GLU N N 15 120.191 0.009 . 1 . . . . 164 GLU N . 18849 1 397 . 1 1 36 36 TYR H H 1 8.822 0.002 . 1 . . . . 165 TYR H . 18849 1 398 . 1 1 36 36 TYR HA H 1 3.395 0.011 . 1 . . . . 165 TYR HA . 18849 1 399 . 1 1 36 36 TYR HB2 H 1 2.946 0.007 . 2 . . . . 165 TYR HB2 . 18849 1 400 . 1 1 36 36 TYR HB3 H 1 3.126 0.007 . 2 . . . . 165 TYR HB3 . 18849 1 401 . 1 1 36 36 TYR HD1 H 1 6.814 0.011 . 1 . . . . 165 TYR HD1 . 18849 1 402 . 1 1 36 36 TYR HD2 H 1 6.814 0.011 . 1 . . . . 165 TYR HD2 . 18849 1 403 . 1 1 36 36 TYR HE1 H 1 6.402 0.201 . 1 . . . . 165 TYR HE1 . 18849 1 404 . 1 1 36 36 TYR HE2 H 1 6.402 0.201 . 1 . . . . 165 TYR HE2 . 18849 1 405 . 1 1 36 36 TYR C C 13 176.765 0.000 . 1 . . . . 165 TYR C . 18849 1 406 . 1 1 36 36 TYR CA C 13 63.433 0.256 . 1 . . . . 165 TYR CA . 18849 1 407 . 1 1 36 36 TYR CB C 13 38.219 0.126 . 1 . . . . 165 TYR CB . 18849 1 408 . 1 1 36 36 TYR CD1 C 13 132.944 0.000 . 1 . . . . 165 TYR CD1 . 18849 1 409 . 1 1 36 36 TYR CE1 C 13 116.621 0.000 . 1 . . . . 165 TYR CE1 . 18849 1 410 . 1 1 36 36 TYR N N 15 120.999 0.030 . 1 . . . . 165 TYR N . 18849 1 411 . 1 1 37 37 ASP H H 1 8.594 0.003 . 1 . . . . 166 ASP H . 18849 1 412 . 1 1 37 37 ASP HA H 1 4.351 0.008 . 1 . . . . 166 ASP HA . 18849 1 413 . 1 1 37 37 ASP HB2 H 1 2.651 0.003 . 2 . . . . 166 ASP HB2 . 18849 1 414 . 1 1 37 37 ASP HB3 H 1 2.755 0.027 . 2 . . . . 166 ASP HB3 . 18849 1 415 . 1 1 37 37 ASP C C 13 179.390 0.000 . 1 . . . . 166 ASP C . 18849 1 416 . 1 1 37 37 ASP CA C 13 57.783 0.016 . 1 . . . . 166 ASP CA . 18849 1 417 . 1 1 37 37 ASP CB C 13 40.737 0.117 . 1 . . . . 166 ASP CB . 18849 1 418 . 1 1 37 37 ASP N N 15 119.496 0.034 . 1 . . . . 166 ASP N . 18849 1 419 . 1 1 38 38 LEU H H 1 7.272 0.005 . 1 . . . . 167 LEU H . 18849 1 420 . 1 1 38 38 LEU HA H 1 4.051 0.011 . 1 . . . . 167 LEU HA . 18849 1 421 . 1 1 38 38 LEU HB2 H 1 1.503 0.020 . 2 . . . . 167 LEU HB2 . 18849 1 422 . 1 1 38 38 LEU HB3 H 1 1.793 0.011 . 2 . . . . 167 LEU HB3 . 18849 1 423 . 1 1 38 38 LEU HG H 1 1.333 0.008 . 1 . . . . 167 LEU HG . 18849 1 424 . 1 1 38 38 LEU HD11 H 1 0.757 0.008 . 2 . . . . 167 LEU QD1 . 18849 1 425 . 1 1 38 38 LEU HD12 H 1 0.757 0.008 . 2 . . . . 167 LEU QD1 . 18849 1 426 . 1 1 38 38 LEU HD13 H 1 0.757 0.008 . 2 . . . . 167 LEU QD1 . 18849 1 427 . 1 1 38 38 LEU HD21 H 1 0.793 0.006 . 2 . . . . 167 LEU QD2 . 18849 1 428 . 1 1 38 38 LEU HD22 H 1 0.793 0.006 . 2 . . . . 167 LEU QD2 . 18849 1 429 . 1 1 38 38 LEU HD23 H 1 0.793 0.006 . 2 . . . . 167 LEU QD2 . 18849 1 430 . 1 1 38 38 LEU C C 13 176.775 0.000 . 1 . . . . 167 LEU C . 18849 1 431 . 1 1 38 38 LEU CA C 13 57.757 0.107 . 1 . . . . 167 LEU CA . 18849 1 432 . 1 1 38 38 LEU CB C 13 41.727 0.141 . 1 . . . . 167 LEU CB . 18849 1 433 . 1 1 38 38 LEU CG C 13 27.405 0.116 . 1 . . . . 167 LEU CG . 18849 1 434 . 1 1 38 38 LEU CD1 C 13 27.480 0.000 . 1 . . . . 167 LEU CD1 . 18849 1 435 . 1 1 38 38 LEU CD2 C 13 23.831 0.146 . 1 . . . . 167 LEU CD2 . 18849 1 436 . 1 1 38 38 LEU N N 15 121.639 0.025 . 1 . . . . 167 LEU N . 18849 1 437 . 1 1 39 39 LEU H H 1 8.139 0.004 . 1 . . . . 168 LEU H . 18849 1 438 . 1 1 39 39 LEU HA H 1 3.770 0.010 . 1 . . . . 168 LEU HA . 18849 1 439 . 1 1 39 39 LEU HB2 H 1 1.141 0.013 . 2 . . . . 168 LEU HB2 . 18849 1 440 . 1 1 39 39 LEU HB3 H 1 1.676 0.012 . 2 . . . . 168 LEU HB3 . 18849 1 441 . 1 1 39 39 LEU HG H 1 1.278 0.012 . 1 . . . . 168 LEU HG . 18849 1 442 . 1 1 39 39 LEU HD11 H 1 0.567 0.009 . 2 . . . . 168 LEU QD1 . 18849 1 443 . 1 1 39 39 LEU HD12 H 1 0.567 0.009 . 2 . . . . 168 LEU QD1 . 18849 1 444 . 1 1 39 39 LEU HD13 H 1 0.567 0.009 . 2 . . . . 168 LEU QD1 . 18849 1 445 . 1 1 39 39 LEU HD21 H 1 0.905 0.010 . 2 . . . . 168 LEU QD2 . 18849 1 446 . 1 1 39 39 LEU HD22 H 1 0.905 0.010 . 2 . . . . 168 LEU QD2 . 18849 1 447 . 1 1 39 39 LEU HD23 H 1 0.905 0.010 . 2 . . . . 168 LEU QD2 . 18849 1 448 . 1 1 39 39 LEU C C 13 177.575 0.000 . 1 . . . . 168 LEU C . 18849 1 449 . 1 1 39 39 LEU CA C 13 58.469 0.146 . 1 . . . . 168 LEU CA . 18849 1 450 . 1 1 39 39 LEU CB C 13 41.347 0.213 . 1 . . . . 168 LEU CB . 18849 1 451 . 1 1 39 39 LEU CG C 13 27.429 0.086 . 1 . . . . 168 LEU CG . 18849 1 452 . 1 1 39 39 LEU CD1 C 13 27.677 0.000 . 1 . . . . 168 LEU CD1 . 18849 1 453 . 1 1 39 39 LEU CD2 C 13 23.731 0.000 . 1 . . . . 168 LEU CD2 . 18849 1 454 . 1 1 39 39 LEU N N 15 121.746 0.032 . 1 . . . . 168 LEU N . 18849 1 455 . 1 1 40 40 TRP H H 1 9.185 0.004 . 1 . . . . 169 TRP H . 18849 1 456 . 1 1 40 40 TRP HA H 1 4.017 0.011 . 1 . . . . 169 TRP HA . 18849 1 457 . 1 1 40 40 TRP HB2 H 1 2.655 0.002 . 2 . . . . 169 TRP HB2 . 18849 1 458 . 1 1 40 40 TRP HB3 H 1 2.805 0.006 . 2 . . . . 169 TRP HB3 . 18849 1 459 . 1 1 40 40 TRP HD1 H 1 7.165 0.002 . 1 . . . . 169 TRP HD1 . 18849 1 460 . 1 1 40 40 TRP HZ2 H 1 7.329 0.004 . 1 . . . . 169 TRP HZ2 . 18849 1 461 . 1 1 40 40 TRP HZ3 H 1 6.730 0.004 . 1 . . . . 169 TRP HZ3 . 18849 1 462 . 1 1 40 40 TRP HH2 H 1 7.068 0.002 . 1 . . . . 169 TRP HH2 . 18849 1 463 . 1 1 40 40 TRP C C 13 178.800 0.000 . 1 . . . . 169 TRP C . 18849 1 464 . 1 1 40 40 TRP CA C 13 59.693 0.157 . 1 . . . . 169 TRP CA . 18849 1 465 . 1 1 40 40 TRP CB C 13 29.397 0.142 . 1 . . . . 169 TRP CB . 18849 1 466 . 1 1 40 40 TRP CD1 C 13 126.725 0.000 . 1 . . . . 169 TRP CD1 . 18849 1 467 . 1 1 40 40 TRP CZ2 C 13 114.541 0.000 . 1 . . . . 169 TRP CZ2 . 18849 1 468 . 1 1 40 40 TRP CZ3 C 13 120.522 0.000 . 1 . . . . 169 TRP CZ3 . 18849 1 469 . 1 1 40 40 TRP CH2 C 13 124.450 0.001 . 1 . . . . 169 TRP CH2 . 18849 1 470 . 1 1 40 40 TRP N N 15 119.212 0.073 . 1 . . . . 169 TRP N . 18849 1 471 . 1 1 41 41 LEU H H 1 7.715 0.005 . 1 . . . . 170 LEU H . 18849 1 472 . 1 1 41 41 LEU HA H 1 3.590 0.009 . 1 . . . . 170 LEU HA . 18849 1 473 . 1 1 41 41 LEU HB2 H 1 1.638 0.016 . 2 . . . . 170 LEU HB2 . 18849 1 474 . 1 1 41 41 LEU HB3 H 1 1.937 0.009 . 2 . . . . 170 LEU HB3 . 18849 1 475 . 1 1 41 41 LEU HG H 1 1.372 0.009 . 1 . . . . 170 LEU HG . 18849 1 476 . 1 1 41 41 LEU HD11 H 1 0.798 0.024 . 2 . . . . 170 LEU QD1 . 18849 1 477 . 1 1 41 41 LEU HD12 H 1 0.798 0.024 . 2 . . . . 170 LEU QD1 . 18849 1 478 . 1 1 41 41 LEU HD13 H 1 0.798 0.024 . 2 . . . . 170 LEU QD1 . 18849 1 479 . 1 1 41 41 LEU HD21 H 1 0.798 0.024 . 2 . . . . 170 LEU QD2 . 18849 1 480 . 1 1 41 41 LEU HD22 H 1 0.798 0.024 . 2 . . . . 170 LEU QD2 . 18849 1 481 . 1 1 41 41 LEU HD23 H 1 0.798 0.024 . 2 . . . . 170 LEU QD2 . 18849 1 482 . 1 1 41 41 LEU C C 13 177.966 0.000 . 1 . . . . 170 LEU C . 18849 1 483 . 1 1 41 41 LEU CA C 13 58.668 0.130 . 1 . . . . 170 LEU CA . 18849 1 484 . 1 1 41 41 LEU CB C 13 41.578 0.160 . 1 . . . . 170 LEU CB . 18849 1 485 . 1 1 41 41 LEU CG C 13 27.654 0.000 . 1 . . . . 170 LEU CG . 18849 1 486 . 1 1 41 41 LEU CD1 C 13 23.747 0.000 . 1 . . . . 170 LEU CD1 . 18849 1 487 . 1 1 41 41 LEU CD2 C 13 27.033 0.170 . 1 . . . . 170 LEU CD2 . 18849 1 488 . 1 1 41 41 LEU N N 15 122.642 0.091 . 1 . . . . 170 LEU N . 18849 1 489 . 1 1 42 42 LEU H H 1 7.760 0.005 . 1 . . . . 171 LEU H . 18849 1 490 . 1 1 42 42 LEU HA H 1 3.829 0.014 . 1 . . . . 171 LEU HA . 18849 1 491 . 1 1 42 42 LEU HB2 H 1 1.411 0.005 . 2 . . . . 171 LEU HB2 . 18849 1 492 . 1 1 42 42 LEU HB3 H 1 1.820 0.011 . 2 . . . . 171 LEU HB3 . 18849 1 493 . 1 1 42 42 LEU HG H 1 1.679 0.051 . 1 . . . . 171 LEU HG . 18849 1 494 . 1 1 42 42 LEU HD11 H 1 0.679 0.000 . 2 . . . . 171 LEU QD1 . 18849 1 495 . 1 1 42 42 LEU HD12 H 1 0.679 0.000 . 2 . . . . 171 LEU QD1 . 18849 1 496 . 1 1 42 42 LEU HD13 H 1 0.679 0.000 . 2 . . . . 171 LEU QD1 . 18849 1 497 . 1 1 42 42 LEU HD21 H 1 0.777 0.013 . 2 . . . . 171 LEU QD2 . 18849 1 498 . 1 1 42 42 LEU HD22 H 1 0.777 0.013 . 2 . . . . 171 LEU QD2 . 18849 1 499 . 1 1 42 42 LEU HD23 H 1 0.777 0.013 . 2 . . . . 171 LEU QD2 . 18849 1 500 . 1 1 42 42 LEU C C 13 178.664 0.000 . 1 . . . . 171 LEU C . 18849 1 501 . 1 1 42 42 LEU CA C 13 58.370 0.046 . 1 . . . . 171 LEU CA . 18849 1 502 . 1 1 42 42 LEU CB C 13 42.683 0.163 . 1 . . . . 171 LEU CB . 18849 1 503 . 1 1 42 42 LEU CG C 13 27.331 0.162 . 1 . . . . 171 LEU CG . 18849 1 504 . 1 1 42 42 LEU CD1 C 13 26.396 0.259 . 1 . . . . 171 LEU CD1 . 18849 1 505 . 1 1 42 42 LEU CD2 C 13 23.416 0.085 . 1 . . . . 171 LEU CD2 . 18849 1 506 . 1 1 42 42 LEU N N 15 118.175 0.042 . 1 . . . . 171 LEU N . 18849 1 507 . 1 1 43 43 ALA H H 1 8.686 0.003 . 1 . . . . 172 ALA H . 18849 1 508 . 1 1 43 43 ALA HA H 1 2.678 0.011 . 1 . . . . 172 ALA HA . 18849 1 509 . 1 1 43 43 ALA HB1 H 1 0.475 0.000 . 1 . . . . 172 ALA QB . 18849 1 510 . 1 1 43 43 ALA HB2 H 1 0.475 0.000 . 1 . . . . 172 ALA QB . 18849 1 511 . 1 1 43 43 ALA HB3 H 1 0.475 0.000 . 1 . . . . 172 ALA QB . 18849 1 512 . 1 1 43 43 ALA C C 13 180.321 0.000 . 1 . . . . 172 ALA C . 18849 1 513 . 1 1 43 43 ALA CA C 13 54.817 0.075 . 1 . . . . 172 ALA CA . 18849 1 514 . 1 1 43 43 ALA CB C 13 18.337 0.000 . 1 . . . . 172 ALA CB . 18849 1 515 . 1 1 43 43 ALA N N 15 122.010 0.020 . 1 . . . . 172 ALA N . 18849 1 516 . 1 1 44 44 SER H H 1 8.116 0.004 . 1 . . . . 173 SER H . 18849 1 517 . 1 1 44 44 SER HA H 1 3.540 0.011 . 1 . . . . 173 SER HA . 18849 1 518 . 1 1 44 44 SER HB2 H 1 2.120 0.011 . 2 . . . . 173 SER HB2 . 18849 1 519 . 1 1 44 44 SER HB3 H 1 3.312 0.008 . 2 . . . . 173 SER HB3 . 18849 1 520 . 1 1 44 44 SER CA C 13 60.727 0.205 . 1 . . . . 173 SER CA . 18849 1 521 . 1 1 44 44 SER CB C 13 62.166 0.177 . 1 . . . . 173 SER CB . 18849 1 522 . 1 1 44 44 SER N N 15 114.197 0.038 . 1 . . . . 173 SER N . 18849 1 523 . 1 1 45 45 ASN H H 1 6.802 0.010 . 1 . . . . 174 ASN H . 18849 1 524 . 1 1 45 45 ASN HA H 1 4.809 0.008 . 1 . . . . 174 ASN HA . 18849 1 525 . 1 1 45 45 ASN HB2 H 1 2.523 0.014 . 2 . . . . 174 ASN HB2 . 18849 1 526 . 1 1 45 45 ASN HB3 H 1 2.889 0.007 . 2 . . . . 174 ASN HB3 . 18849 1 527 . 1 1 45 45 ASN C C 13 173.299 0.000 . 1 . . . . 174 ASN C . 18849 1 528 . 1 1 45 45 ASN CA C 13 53.120 0.183 . 1 . . . . 174 ASN CA . 18849 1 529 . 1 1 45 45 ASN CB C 13 40.451 0.175 . 1 . . . . 174 ASN CB . 18849 1 530 . 1 1 45 45 ASN N N 15 121.745 0.010 . 1 . . . . 174 ASN N . 18849 1 531 . 1 1 46 46 ALA H H 1 6.810 0.003 . 1 . . . . 175 ALA H . 18849 1 532 . 1 1 46 46 ALA HA H 1 4.576 0.020 . 1 . . . . 175 ALA HA . 18849 1 533 . 1 1 46 46 ALA HB1 H 1 1.534 0.008 . 1 . . . . 175 ALA QB . 18849 1 534 . 1 1 46 46 ALA HB2 H 1 1.534 0.008 . 1 . . . . 175 ALA QB . 18849 1 535 . 1 1 46 46 ALA HB3 H 1 1.534 0.008 . 1 . . . . 175 ALA QB . 18849 1 536 . 1 1 46 46 ALA C C 13 179.076 0.000 . 1 . . . . 175 ALA C . 18849 1 537 . 1 1 46 46 ALA CA C 13 54.573 0.166 . 1 . . . . 175 ALA CA . 18849 1 538 . 1 1 46 46 ALA CB C 13 18.966 0.149 . 1 . . . . 175 ALA CB . 18849 1 539 . 1 1 46 46 ALA N N 15 121.741 0.029 . 1 . . . . 175 ALA N . 18849 1 540 . 1 1 47 47 GLY H H 1 9.155 0.004 . 1 . . . . 176 GLY H . 18849 1 541 . 1 1 47 47 GLY HA2 H 1 3.789 0.010 . 2 . . . . 176 GLY HA2 . 18849 1 542 . 1 1 47 47 GLY HA3 H 1 4.396 0.008 . 2 . . . . 176 GLY HA3 . 18849 1 543 . 1 1 47 47 GLY C C 13 173.002 0.000 . 1 . . . . 176 GLY C . 18849 1 544 . 1 1 47 47 GLY CA C 13 45.488 0.130 . 1 . . . . 176 GLY CA . 18849 1 545 . 1 1 47 47 GLY N N 15 110.733 0.039 . 1 . . . . 176 GLY N . 18849 1 546 . 1 1 48 48 ARG H H 1 8.393 0.002 . 1 . . . . 177 ARG H . 18849 1 547 . 1 1 48 48 ARG HA H 1 4.610 0.008 . 1 . . . . 177 ARG HA . 18849 1 548 . 1 1 48 48 ARG HB2 H 1 1.826 0.011 . 2 . . . . 177 ARG HB2 . 18849 1 549 . 1 1 48 48 ARG HB3 H 1 1.870 0.012 . 2 . . . . 177 ARG HB3 . 18849 1 550 . 1 1 48 48 ARG HG2 H 1 1.537 0.009 . 2 . . . . 177 ARG HG2 . 18849 1 551 . 1 1 48 48 ARG HG3 H 1 1.537 0.009 . 2 . . . . 177 ARG HG3 . 18849 1 552 . 1 1 48 48 ARG HD2 H 1 3.157 0.008 . 2 . . . . 177 ARG HD2 . 18849 1 553 . 1 1 48 48 ARG HD3 H 1 3.157 0.008 . 2 . . . . 177 ARG HD3 . 18849 1 554 . 1 1 48 48 ARG C C 13 173.959 0.000 . 1 . . . . 177 ARG C . 18849 1 555 . 1 1 48 48 ARG CA C 13 54.596 0.200 . 1 . . . . 177 ARG CA . 18849 1 556 . 1 1 48 48 ARG CB C 13 32.065 0.070 . 1 . . . . 177 ARG CB . 18849 1 557 . 1 1 48 48 ARG CG C 13 27.457 0.127 . 1 . . . . 177 ARG CG . 18849 1 558 . 1 1 48 48 ARG CD C 13 43.814 0.210 . 1 . . . . 177 ARG CD . 18849 1 559 . 1 1 48 48 ARG N N 15 123.697 0.031 . 1 . . . . 177 ARG N . 18849 1 560 . 1 1 49 49 ILE H H 1 8.431 0.002 . 1 . . . . 178 ILE H . 18849 1 561 . 1 1 49 49 ILE HA H 1 4.091 0.009 . 1 . . . . 178 ILE HA . 18849 1 562 . 1 1 49 49 ILE HB H 1 1.609 0.008 . 1 . . . . 178 ILE HB . 18849 1 563 . 1 1 49 49 ILE HG12 H 1 0.716 0.009 . 2 . . . . 178 ILE HG12 . 18849 1 564 . 1 1 49 49 ILE HG13 H 1 0.716 0.009 . 2 . . . . 178 ILE HG13 . 18849 1 565 . 1 1 49 49 ILE HG21 H 1 0.515 0.007 . 1 . . . . 178 ILE QG2 . 18849 1 566 . 1 1 49 49 ILE HG22 H 1 0.515 0.007 . 1 . . . . 178 ILE QG2 . 18849 1 567 . 1 1 49 49 ILE HG23 H 1 0.515 0.007 . 1 . . . . 178 ILE QG2 . 18849 1 568 . 1 1 49 49 ILE HD11 H 1 0.818 0.010 . 1 . . . . 178 ILE QD1 . 18849 1 569 . 1 1 49 49 ILE HD12 H 1 0.818 0.010 . 1 . . . . 178 ILE QD1 . 18849 1 570 . 1 1 49 49 ILE HD13 H 1 0.818 0.010 . 1 . . . . 178 ILE QD1 . 18849 1 571 . 1 1 49 49 ILE C C 13 176.492 0.000 . 1 . . . . 178 ILE C . 18849 1 572 . 1 1 49 49 ILE CA C 13 61.514 0.096 . 1 . . . . 178 ILE CA . 18849 1 573 . 1 1 49 49 ILE CB C 13 38.590 0.182 . 1 . . . . 178 ILE CB . 18849 1 574 . 1 1 49 49 ILE CG1 C 13 29.652 0.095 . 1 . . . . 178 ILE CG1 . 18849 1 575 . 1 1 49 49 ILE CG2 C 13 17.509 0.027 . 1 . . . . 178 ILE CG2 . 18849 1 576 . 1 1 49 49 ILE CD1 C 13 14.294 0.042 . 1 . . . . 178 ILE CD1 . 18849 1 577 . 1 1 49 49 ILE N N 15 124.941 0.021 . 1 . . . . 178 ILE N . 18849 1 578 . 1 1 50 50 LEU H H 1 9.143 0.004 . 1 . . . . 179 LEU H . 18849 1 579 . 1 1 50 50 LEU HA H 1 4.956 0.009 . 1 . . . . 179 LEU HA . 18849 1 580 . 1 1 50 50 LEU HB2 H 1 1.413 0.007 . 2 . . . . 179 LEU HB2 . 18849 1 581 . 1 1 50 50 LEU HB3 H 1 1.719 0.006 . 2 . . . . 179 LEU HB3 . 18849 1 582 . 1 1 50 50 LEU HG H 1 1.742 0.009 . 1 . . . . 179 LEU HG . 18849 1 583 . 1 1 50 50 LEU HD11 H 1 0.723 0.009 . 2 . . . . 179 LEU QD1 . 18849 1 584 . 1 1 50 50 LEU HD12 H 1 0.723 0.009 . 2 . . . . 179 LEU QD1 . 18849 1 585 . 1 1 50 50 LEU HD13 H 1 0.723 0.009 . 2 . . . . 179 LEU QD1 . 18849 1 586 . 1 1 50 50 LEU HD21 H 1 0.770 0.009 . 2 . . . . 179 LEU QD2 . 18849 1 587 . 1 1 50 50 LEU HD22 H 1 0.770 0.009 . 2 . . . . 179 LEU QD2 . 18849 1 588 . 1 1 50 50 LEU HD23 H 1 0.770 0.009 . 2 . . . . 179 LEU QD2 . 18849 1 589 . 1 1 50 50 LEU C C 13 176.052 0.000 . 1 . . . . 179 LEU C . 18849 1 590 . 1 1 50 50 LEU CA C 13 53.184 0.000 . 1 . . . . 179 LEU CA . 18849 1 591 . 1 1 50 50 LEU CB C 13 43.612 0.191 . 1 . . . . 179 LEU CB . 18849 1 592 . 1 1 50 50 LEU CG C 13 27.653 0.000 . 1 . . . . 179 LEU CG . 18849 1 593 . 1 1 50 50 LEU CD1 C 13 24.035 0.105 . 1 . . . . 179 LEU CD1 . 18849 1 594 . 1 1 50 50 LEU CD2 C 13 26.282 0.129 . 1 . . . . 179 LEU CD2 . 18849 1 595 . 1 1 50 50 LEU N N 15 132.569 0.027 . 1 . . . . 179 LEU N . 18849 1 596 . 1 1 51 51 SER H H 1 9.361 0.002 . 1 . . . . 180 SER H . 18849 1 597 . 1 1 51 51 SER HA H 1 4.888 0.011 . 1 . . . . 180 SER HA . 18849 1 598 . 1 1 51 51 SER HB2 H 1 4.107 0.007 . 2 . . . . 180 SER HB2 . 18849 1 599 . 1 1 51 51 SER HB3 H 1 4.457 0.005 . 2 . . . . 180 SER HB3 . 18849 1 600 . 1 1 51 51 SER C C 13 175.365 0.000 . 1 . . . . 180 SER C . 18849 1 601 . 1 1 51 51 SER CA C 13 56.953 0.121 . 1 . . . . 180 SER CA . 18849 1 602 . 1 1 51 51 SER CB C 13 65.935 0.235 . 1 . . . . 180 SER CB . 18849 1 603 . 1 1 51 51 SER N N 15 121.482 0.020 . 1 . . . . 180 SER N . 18849 1 604 . 1 1 52 52 ARG H H 1 9.070 0.003 . 1 . . . . 181 ARG H . 18849 1 605 . 1 1 52 52 ARG HA H 1 3.840 0.016 . 1 . . . . 181 ARG HA . 18849 1 606 . 1 1 52 52 ARG HB2 H 1 1.812 0.009 . 2 . . . . 181 ARG HB2 . 18849 1 607 . 1 1 52 52 ARG HB3 H 1 1.812 0.009 . 2 . . . . 181 ARG HB3 . 18849 1 608 . 1 1 52 52 ARG HG2 H 1 1.539 0.006 . 2 . . . . 181 ARG HG2 . 18849 1 609 . 1 1 52 52 ARG HG3 H 1 1.539 0.006 . 2 . . . . 181 ARG HG3 . 18849 1 610 . 1 1 52 52 ARG HD2 H 1 3.192 0.012 . 2 . . . . 181 ARG HD2 . 18849 1 611 . 1 1 52 52 ARG HD3 H 1 3.192 0.012 . 2 . . . . 181 ARG HD3 . 18849 1 612 . 1 1 52 52 ARG C C 13 177.559 0.000 . 1 . . . . 181 ARG C . 18849 1 613 . 1 1 52 52 ARG CA C 13 60.771 0.101 . 1 . . . . 181 ARG CA . 18849 1 614 . 1 1 52 52 ARG CB C 13 29.606 0.150 . 1 . . . . 181 ARG CB . 18849 1 615 . 1 1 52 52 ARG CG C 13 28.830 0.000 . 1 . . . . 181 ARG CG . 18849 1 616 . 1 1 52 52 ARG CD C 13 43.347 0.183 . 1 . . . . 181 ARG CD . 18849 1 617 . 1 1 52 52 ARG N N 15 121.300 0.033 . 1 . . . . 181 ARG N . 18849 1 618 . 1 1 53 53 GLU H H 1 8.684 0.003 . 1 . . . . 182 GLU H . 18849 1 619 . 1 1 53 53 GLU HA H 1 3.996 0.017 . 1 . . . . 182 GLU HA . 18849 1 620 . 1 1 53 53 GLU HB2 H 1 2.002 0.000 . 2 . . . . 182 GLU HB2 . 18849 1 621 . 1 1 53 53 GLU HB3 H 1 2.077 0.000 . 2 . . . . 182 GLU HB3 . 18849 1 622 . 1 1 53 53 GLU HG2 H 1 2.261 0.000 . 2 . . . . 182 GLU HG2 . 18849 1 623 . 1 1 53 53 GLU HG3 H 1 2.532 0.000 . 2 . . . . 182 GLU HG3 . 18849 1 624 . 1 1 53 53 GLU C C 13 178.872 0.000 . 1 . . . . 182 GLU C . 18849 1 625 . 1 1 53 53 GLU CA C 13 60.904 0.068 . 1 . . . . 182 GLU CA . 18849 1 626 . 1 1 53 53 GLU CB C 13 28.578 0.019 . 1 . . . . 182 GLU CB . 18849 1 627 . 1 1 53 53 GLU CG C 13 37.604 0.082 . 1 . . . . 182 GLU CG . 18849 1 628 . 1 1 53 53 GLU N N 15 119.246 0.087 . 1 . . . . 182 GLU N . 18849 1 629 . 1 1 54 54 ASP H H 1 8.151 0.003 . 1 . . . . 183 ASP H . 18849 1 630 . 1 1 54 54 ASP HA H 1 4.362 0.007 . 1 . . . . 183 ASP HA . 18849 1 631 . 1 1 54 54 ASP HB2 H 1 2.575 0.010 . 2 . . . . 183 ASP HB2 . 18849 1 632 . 1 1 54 54 ASP HB3 H 1 3.123 0.009 . 2 . . . . 183 ASP HB3 . 18849 1 633 . 1 1 54 54 ASP C C 13 178.882 0.000 . 1 . . . . 183 ASP C . 18849 1 634 . 1 1 54 54 ASP CA C 13 57.638 0.000 . 1 . . . . 183 ASP CA . 18849 1 635 . 1 1 54 54 ASP CB C 13 41.455 0.161 . 1 . . . . 183 ASP CB . 18849 1 636 . 1 1 54 54 ASP N N 15 122.886 0.019 . 1 . . . . 183 ASP N . 18849 1 637 . 1 1 55 55 ILE H H 1 8.113 0.008 . 1 . . . . 184 ILE H . 18849 1 638 . 1 1 55 55 ILE HA H 1 3.395 0.008 . 1 . . . . 184 ILE HA . 18849 1 639 . 1 1 55 55 ILE HB H 1 1.820 0.000 . 1 . . . . 184 ILE HB . 18849 1 640 . 1 1 55 55 ILE HG21 H 1 0.647 0.009 . 1 . . . . 184 ILE QG2 . 18849 1 641 . 1 1 55 55 ILE HG22 H 1 0.647 0.009 . 1 . . . . 184 ILE QG2 . 18849 1 642 . 1 1 55 55 ILE HG23 H 1 0.647 0.009 . 1 . . . . 184 ILE QG2 . 18849 1 643 . 1 1 55 55 ILE HD11 H 1 0.739 0.008 . 1 . . . . 184 ILE QD1 . 18849 1 644 . 1 1 55 55 ILE HD12 H 1 0.739 0.008 . 1 . . . . 184 ILE QD1 . 18849 1 645 . 1 1 55 55 ILE HD13 H 1 0.739 0.008 . 1 . . . . 184 ILE QD1 . 18849 1 646 . 1 1 55 55 ILE C C 13 177.322 0.000 . 1 . . . . 184 ILE C . 18849 1 647 . 1 1 55 55 ILE CA C 13 66.090 0.240 . 1 . . . . 184 ILE CA . 18849 1 648 . 1 1 55 55 ILE CB C 13 38.056 0.000 . 1 . . . . 184 ILE CB . 18849 1 649 . 1 1 55 55 ILE CG2 C 13 18.273 0.035 . 1 . . . . 184 ILE CG2 . 18849 1 650 . 1 1 55 55 ILE CD1 C 13 14.247 0.015 . 1 . . . . 184 ILE CD1 . 18849 1 651 . 1 1 55 55 ILE N N 15 121.128 0.020 . 1 . . . . 184 ILE N . 18849 1 652 . 1 1 56 56 PHE H H 1 8.507 0.003 . 1 . . . . 185 PHE H . 18849 1 653 . 1 1 56 56 PHE HA H 1 4.212 0.010 . 1 . . . . 185 PHE HA . 18849 1 654 . 1 1 56 56 PHE HB2 H 1 3.183 0.019 . 2 . . . . 185 PHE HB2 . 18849 1 655 . 1 1 56 56 PHE HB3 H 1 3.240 0.017 . 2 . . . . 185 PHE HB3 . 18849 1 656 . 1 1 56 56 PHE HD1 H 1 7.303 0.014 . 1 . . . . 185 PHE HD1 . 18849 1 657 . 1 1 56 56 PHE HD2 H 1 7.303 0.014 . 1 . . . . 185 PHE HD2 . 18849 1 658 . 1 1 56 56 PHE HE1 H 1 7.261 0.010 . 1 . . . . 185 PHE HE1 . 18849 1 659 . 1 1 56 56 PHE HE2 H 1 7.261 0.010 . 1 . . . . 185 PHE HE2 . 18849 1 660 . 1 1 56 56 PHE C C 13 178.299 0.000 . 1 . . . . 185 PHE C . 18849 1 661 . 1 1 56 56 PHE CA C 13 60.796 0.020 . 1 . . . . 185 PHE CA . 18849 1 662 . 1 1 56 56 PHE CB C 13 38.874 0.178 . 1 . . . . 185 PHE CB . 18849 1 663 . 1 1 56 56 PHE CD1 C 13 131.423 0.000 . 1 . . . . 185 PHE CD1 . 18849 1 664 . 1 1 56 56 PHE CE1 C 13 131.478 0.000 . 1 . . . . 185 PHE CE1 . 18849 1 665 . 1 1 56 56 PHE N N 15 119.771 0.025 . 1 . . . . 185 PHE N . 18849 1 666 . 1 1 57 57 GLU H H 1 8.154 0.002 . 1 . . . . 186 GLU H . 18849 1 667 . 1 1 57 57 GLU HA H 1 4.071 0.009 . 1 . . . . 186 GLU HA . 18849 1 668 . 1 1 57 57 GLU HB2 H 1 2.183 0.025 . 2 . . . . 186 GLU HB2 . 18849 1 669 . 1 1 57 57 GLU HB3 H 1 2.248 0.005 . 2 . . . . 186 GLU HB3 . 18849 1 670 . 1 1 57 57 GLU HG2 H 1 2.409 0.003 . 2 . . . . 186 GLU HG2 . 18849 1 671 . 1 1 57 57 GLU HG3 H 1 2.409 0.003 . 2 . . . . 186 GLU HG3 . 18849 1 672 . 1 1 57 57 GLU C C 13 179.012 0.000 . 1 . . . . 186 GLU C . 18849 1 673 . 1 1 57 57 GLU CA C 13 59.067 0.081 . 1 . . . . 186 GLU CA . 18849 1 674 . 1 1 57 57 GLU CB C 13 29.915 0.185 . 1 . . . . 186 GLU CB . 18849 1 675 . 1 1 57 57 GLU CG C 13 36.391 0.173 . 1 . . . . 186 GLU CG . 18849 1 676 . 1 1 57 57 GLU N N 15 118.732 0.024 . 1 . . . . 186 GLU N . 18849 1 677 . 1 1 58 58 ARG H H 1 7.831 0.006 . 1 . . . . 187 ARG H . 18849 1 678 . 1 1 58 58 ARG HA H 1 4.252 0.019 . 1 . . . . 187 ARG HA . 18849 1 679 . 1 1 58 58 ARG HB2 H 1 1.877 0.000 . 2 . . . . 187 ARG HB2 . 18849 1 680 . 1 1 58 58 ARG HB3 H 1 1.877 0.000 . 2 . . . . 187 ARG HB3 . 18849 1 681 . 1 1 58 58 ARG HG2 H 1 1.784 0.045 . 2 . . . . 187 ARG HG2 . 18849 1 682 . 1 1 58 58 ARG HG3 H 1 1.784 0.045 . 2 . . . . 187 ARG HG3 . 18849 1 683 . 1 1 58 58 ARG C C 13 177.915 0.000 . 1 . . . . 187 ARG C . 18849 1 684 . 1 1 58 58 ARG CA C 13 57.357 0.000 . 1 . . . . 187 ARG CA . 18849 1 685 . 1 1 58 58 ARG CB C 13 30.901 0.028 . 1 . . . . 187 ARG CB . 18849 1 686 . 1 1 58 58 ARG CG C 13 27.711 0.000 . 1 . . . . 187 ARG CG . 18849 1 687 . 1 1 58 58 ARG CD C 13 43.011 0.000 . 1 . . . . 187 ARG CD . 18849 1 688 . 1 1 58 58 ARG N N 15 118.346 0.024 . 1 . . . . 187 ARG N . 18849 1 689 . 1 1 59 59 LEU H H 1 7.997 0.004 . 1 . . . . 188 LEU H . 18849 1 690 . 1 1 59 59 LEU HA H 1 4.553 0.014 . 1 . . . . 188 LEU HA . 18849 1 691 . 1 1 59 59 LEU HB2 H 1 1.599 0.002 . 2 . . . . 188 LEU HB2 . 18849 1 692 . 1 1 59 59 LEU HB3 H 1 1.599 0.002 . 2 . . . . 188 LEU HB3 . 18849 1 693 . 1 1 59 59 LEU HG H 1 1.692 0.000 . 1 . . . . 188 LEU HG . 18849 1 694 . 1 1 59 59 LEU HD11 H 1 0.709 0.008 . 2 . . . . 188 LEU QD1 . 18849 1 695 . 1 1 59 59 LEU HD12 H 1 0.709 0.008 . 2 . . . . 188 LEU QD1 . 18849 1 696 . 1 1 59 59 LEU HD13 H 1 0.709 0.008 . 2 . . . . 188 LEU QD1 . 18849 1 697 . 1 1 59 59 LEU HD21 H 1 0.809 0.011 . 2 . . . . 188 LEU QD2 . 18849 1 698 . 1 1 59 59 LEU HD22 H 1 0.809 0.011 . 2 . . . . 188 LEU QD2 . 18849 1 699 . 1 1 59 59 LEU HD23 H 1 0.809 0.011 . 2 . . . . 188 LEU QD2 . 18849 1 700 . 1 1 59 59 LEU C C 13 176.967 0.000 . 1 . . . . 188 LEU C . 18849 1 701 . 1 1 59 59 LEU CA C 13 54.393 0.158 . 1 . . . . 188 LEU CA . 18849 1 702 . 1 1 59 59 LEU CB C 13 41.400 0.045 . 1 . . . . 188 LEU CB . 18849 1 703 . 1 1 59 59 LEU CG C 13 26.323 0.000 . 1 . . . . 188 LEU CG . 18849 1 704 . 1 1 59 59 LEU CD1 C 13 26.272 0.133 . 1 . . . . 188 LEU CD1 . 18849 1 705 . 1 1 59 59 LEU CD2 C 13 22.816 0.130 . 1 . . . . 188 LEU CD2 . 18849 1 706 . 1 1 59 59 LEU N N 15 119.931 0.024 . 1 . . . . 188 LEU N . 18849 1 707 . 1 1 60 60 ARG H H 1 7.782 0.004 . 1 . . . . 189 ARG H . 18849 1 708 . 1 1 60 60 ARG HA H 1 4.336 0.015 . 1 . . . . 189 ARG HA . 18849 1 709 . 1 1 60 60 ARG HB2 H 1 1.800 0.034 . 2 . . . . 189 ARG HB2 . 18849 1 710 . 1 1 60 60 ARG HB3 H 1 1.800 0.034 . 2 . . . . 189 ARG HB3 . 18849 1 711 . 1 1 60 60 ARG HG2 H 1 1.566 0.008 . 2 . . . . 189 ARG HG2 . 18849 1 712 . 1 1 60 60 ARG HG3 H 1 1.566 0.008 . 2 . . . . 189 ARG HG3 . 18849 1 713 . 1 1 60 60 ARG HD2 H 1 3.162 0.008 . 2 . . . . 189 ARG HD2 . 18849 1 714 . 1 1 60 60 ARG HD3 H 1 3.162 0.008 . 2 . . . . 189 ARG HD3 . 18849 1 715 . 1 1 60 60 ARG C C 13 177.223 0.000 . 1 . . . . 189 ARG C . 18849 1 716 . 1 1 60 60 ARG CA C 13 56.993 0.079 . 1 . . . . 189 ARG CA . 18849 1 717 . 1 1 60 60 ARG CB C 13 30.061 0.054 . 1 . . . . 189 ARG CB . 18849 1 718 . 1 1 60 60 ARG CG C 13 26.539 0.524 . 1 . . . . 189 ARG CG . 18849 1 719 . 1 1 60 60 ARG CD C 13 43.260 0.024 . 1 . . . . 189 ARG CD . 18849 1 720 . 1 1 60 60 ARG N N 15 120.794 0.029 . 1 . . . . 189 ARG N . 18849 1 721 . 1 1 61 61 GLY H H 1 8.479 0.005 . 1 . . . . 190 GLY H . 18849 1 722 . 1 1 61 61 GLY HA2 H 1 3.942 0.010 . 2 . . . . 190 GLY HA2 . 18849 1 723 . 1 1 61 61 GLY HA3 H 1 3.942 0.010 . 2 . . . . 190 GLY HA3 . 18849 1 724 . 1 1 61 61 GLY C C 13 174.332 0.000 . 1 . . . . 190 GLY C . 18849 1 725 . 1 1 61 61 GLY CA C 13 45.627 0.155 . 1 . . . . 190 GLY CA . 18849 1 726 . 1 1 61 61 GLY N N 15 111.250 0.036 . 1 . . . . 190 GLY N . 18849 1 727 . 1 1 62 62 ILE H H 1 7.685 0.006 . 1 . . . . 191 ILE H . 18849 1 728 . 1 1 62 62 ILE HA H 1 4.133 0.008 . 1 . . . . 191 ILE HA . 18849 1 729 . 1 1 62 62 ILE HB H 1 1.848 0.009 . 1 . . . . 191 ILE HB . 18849 1 730 . 1 1 62 62 ILE HG12 H 1 1.430 0.007 . 2 . . . . 191 ILE HG12 . 18849 1 731 . 1 1 62 62 ILE HG13 H 1 1.099 0.007 . 2 . . . . 191 ILE HG13 . 18849 1 732 . 1 1 62 62 ILE HG21 H 1 0.788 0.008 . 1 . . . . 191 ILE QG2 . 18849 1 733 . 1 1 62 62 ILE HG22 H 1 0.788 0.008 . 1 . . . . 191 ILE QG2 . 18849 1 734 . 1 1 62 62 ILE HG23 H 1 0.788 0.008 . 1 . . . . 191 ILE QG2 . 18849 1 735 . 1 1 62 62 ILE HD11 H 1 0.877 0.008 . 1 . . . . 191 ILE QD1 . 18849 1 736 . 1 1 62 62 ILE HD12 H 1 0.877 0.008 . 1 . . . . 191 ILE QD1 . 18849 1 737 . 1 1 62 62 ILE HD13 H 1 0.877 0.008 . 1 . . . . 191 ILE QD1 . 18849 1 738 . 1 1 62 62 ILE CA C 13 61.787 0.101 . 1 . . . . 191 ILE CA . 18849 1 739 . 1 1 62 62 ILE CB C 13 39.076 0.162 . 1 . . . . 191 ILE CB . 18849 1 740 . 1 1 62 62 ILE CG1 C 13 27.597 0.185 . 1 . . . . 191 ILE CG1 . 18849 1 741 . 1 1 62 62 ILE CG2 C 13 17.698 0.050 . 1 . . . . 191 ILE CG2 . 18849 1 742 . 1 1 62 62 ILE CD1 C 13 13.615 0.055 . 1 . . . . 191 ILE CD1 . 18849 1 743 . 1 1 62 62 ILE N N 15 120.618 0.011 . 1 . . . . 191 ILE N . 18849 1 744 . 1 1 63 63 GLU H H 1 8.391 0.005 . 1 . . . . 192 GLU H . 18849 1 745 . 1 1 63 63 GLU HA H 1 4.183 0.007 . 1 . . . . 192 GLU HA . 18849 1 746 . 1 1 63 63 GLU HB2 H 1 1.865 0.018 . 2 . . . . 192 GLU HB2 . 18849 1 747 . 1 1 63 63 GLU HB3 H 1 1.865 0.018 . 2 . . . . 192 GLU HB3 . 18849 1 748 . 1 1 63 63 GLU HG2 H 1 2.119 0.008 . 2 . . . . 192 GLU HG2 . 18849 1 749 . 1 1 63 63 GLU HG3 H 1 2.173 0.008 . 2 . . . . 192 GLU HG3 . 18849 1 750 . 1 1 63 63 GLU CA C 13 56.793 0.122 . 1 . . . . 192 GLU CA . 18849 1 751 . 1 1 63 63 GLU CB C 13 30.411 0.234 . 1 . . . . 192 GLU CB . 18849 1 752 . 1 1 63 63 GLU CG C 13 36.760 0.427 . 1 . . . . 192 GLU CG . 18849 1 753 . 1 1 63 63 GLU N N 15 124.013 0.013 . 1 . . . . 192 GLU N . 18849 1 754 . 1 1 66 66 GLY H H 1 8.398 0.002 . 1 . . . . 195 GLY H . 18849 1 755 . 1 1 66 66 GLY HA2 H 1 3.937 0.009 . 2 . . . . 195 GLY HA2 . 18849 1 756 . 1 1 66 66 GLY HA3 H 1 3.937 0.009 . 2 . . . . 195 GLY HA3 . 18849 1 757 . 1 1 66 66 GLY CA C 13 45.594 0.007 . 1 . . . . 195 GLY CA . 18849 1 758 . 1 1 66 66 GLY N N 15 110.773 0.035 . 1 . . . . 195 GLY N . 18849 1 759 . 1 1 69 69 ARG HB2 H 1 1.967 0.000 . 2 . . . . 198 ARG HB2 . 18849 1 760 . 1 1 69 69 ARG HB3 H 1 1.967 0.000 . 2 . . . . 198 ARG HB3 . 18849 1 761 . 1 1 69 69 ARG CB C 13 35.990 0.000 . 1 . . . . 198 ARG CB . 18849 1 762 . 1 1 71 71 ILE HA H 1 3.669 0.009 . 1 . . . . 200 ILE HA . 18849 1 763 . 1 1 71 71 ILE HB H 1 1.885 0.008 . 1 . . . . 200 ILE HB . 18849 1 764 . 1 1 71 71 ILE HG12 H 1 1.074 0.000 . 2 . . . . 200 ILE HG12 . 18849 1 765 . 1 1 71 71 ILE HG13 H 1 1.621 0.000 . 2 . . . . 200 ILE HG13 . 18849 1 766 . 1 1 71 71 ILE HG21 H 1 0.694 0.009 . 1 . . . . 200 ILE QG2 . 18849 1 767 . 1 1 71 71 ILE HG22 H 1 0.694 0.009 . 1 . . . . 200 ILE QG2 . 18849 1 768 . 1 1 71 71 ILE HG23 H 1 0.694 0.009 . 1 . . . . 200 ILE QG2 . 18849 1 769 . 1 1 71 71 ILE HD11 H 1 0.706 0.000 . 1 . . . . 200 ILE QD1 . 18849 1 770 . 1 1 71 71 ILE HD12 H 1 0.706 0.000 . 1 . . . . 200 ILE QD1 . 18849 1 771 . 1 1 71 71 ILE HD13 H 1 0.706 0.000 . 1 . . . . 200 ILE QD1 . 18849 1 772 . 1 1 71 71 ILE C C 13 176.885 0.000 . 1 . . . . 200 ILE C . 18849 1 773 . 1 1 71 71 ILE CA C 13 64.594 0.196 . 1 . . . . 200 ILE CA . 18849 1 774 . 1 1 71 71 ILE CB C 13 38.100 0.216 . 1 . . . . 200 ILE CB . 18849 1 775 . 1 1 71 71 ILE CG1 C 13 29.137 0.153 . 1 . . . . 200 ILE CG1 . 18849 1 776 . 1 1 71 71 ILE CG2 C 13 18.234 0.051 . 1 . . . . 200 ILE CG2 . 18849 1 777 . 1 1 71 71 ILE CD1 C 13 14.027 0.000 . 1 . . . . 200 ILE CD1 . 18849 1 778 . 1 1 72 72 ASP H H 1 8.076 0.004 . 1 . . . . 201 ASP H . 18849 1 779 . 1 1 72 72 ASP HA H 1 4.233 0.007 . 1 . . . . 201 ASP HA . 18849 1 780 . 1 1 72 72 ASP HB2 H 1 2.666 0.011 . 2 . . . . 201 ASP HB2 . 18849 1 781 . 1 1 72 72 ASP HB3 H 1 2.738 0.007 . 2 . . . . 201 ASP HB3 . 18849 1 782 . 1 1 72 72 ASP C C 13 179.282 0.000 . 1 . . . . 201 ASP C . 18849 1 783 . 1 1 72 72 ASP CA C 13 58.266 0.018 . 1 . . . . 201 ASP CA . 18849 1 784 . 1 1 72 72 ASP CB C 13 41.019 0.139 . 1 . . . . 201 ASP CB . 18849 1 785 . 1 1 72 72 ASP N N 15 120.452 0.048 . 1 . . . . 201 ASP N . 18849 1 786 . 1 1 73 73 VAL H H 1 7.987 0.007 . 1 . . . . 202 VAL H . 18849 1 787 . 1 1 73 73 VAL HA H 1 3.750 0.008 . 1 . . . . 202 VAL HA . 18849 1 788 . 1 1 73 73 VAL HB H 1 2.076 0.007 . 1 . . . . 202 VAL HB . 18849 1 789 . 1 1 73 73 VAL HG11 H 1 0.932 0.008 . 2 . . . . 202 VAL QG1 . 18849 1 790 . 1 1 73 73 VAL HG12 H 1 0.932 0.008 . 2 . . . . 202 VAL QG1 . 18849 1 791 . 1 1 73 73 VAL HG13 H 1 0.932 0.008 . 2 . . . . 202 VAL QG1 . 18849 1 792 . 1 1 73 73 VAL HG21 H 1 1.075 0.010 . 2 . . . . 202 VAL QG2 . 18849 1 793 . 1 1 73 73 VAL HG22 H 1 1.075 0.010 . 2 . . . . 202 VAL QG2 . 18849 1 794 . 1 1 73 73 VAL HG23 H 1 1.075 0.010 . 2 . . . . 202 VAL QG2 . 18849 1 795 . 1 1 73 73 VAL C C 13 179.009 0.000 . 1 . . . . 202 VAL C . 18849 1 796 . 1 1 73 73 VAL CA C 13 66.020 0.258 . 1 . . . . 202 VAL CA . 18849 1 797 . 1 1 73 73 VAL CB C 13 31.954 0.180 . 1 . . . . 202 VAL CB . 18849 1 798 . 1 1 73 73 VAL CG1 C 13 21.066 0.108 . 1 . . . . 202 VAL CG1 . 18849 1 799 . 1 1 73 73 VAL CG2 C 13 22.713 0.136 . 1 . . . . 202 VAL CG2 . 18849 1 800 . 1 1 73 73 VAL N N 15 121.575 0.032 . 1 . . . . 202 VAL N . 18849 1 801 . 1 1 74 74 ARG H H 1 7.801 0.003 . 1 . . . . 203 ARG H . 18849 1 802 . 1 1 74 74 ARG HA H 1 4.025 0.012 . 1 . . . . 203 ARG HA . 18849 1 803 . 1 1 74 74 ARG HB2 H 1 1.659 0.000 . 2 . . . . 203 ARG HB2 . 18849 1 804 . 1 1 74 74 ARG HB3 H 1 1.659 0.000 . 2 . . . . 203 ARG HB3 . 18849 1 805 . 1 1 74 74 ARG HG2 H 1 1.679 0.008 . 2 . . . . 203 ARG HG2 . 18849 1 806 . 1 1 74 74 ARG HG3 H 1 1.788 0.091 . 2 . . . . 203 ARG HG3 . 18849 1 807 . 1 1 74 74 ARG HD2 H 1 2.920 0.029 . 2 . . . . 203 ARG HD2 . 18849 1 808 . 1 1 74 74 ARG HD3 H 1 2.979 0.062 . 2 . . . . 203 ARG HD3 . 18849 1 809 . 1 1 74 74 ARG C C 13 179.364 0.000 . 1 . . . . 203 ARG C . 18849 1 810 . 1 1 74 74 ARG CA C 13 60.627 0.144 . 1 . . . . 203 ARG CA . 18849 1 811 . 1 1 74 74 ARG CB C 13 30.518 0.000 . 1 . . . . 203 ARG CB . 18849 1 812 . 1 1 74 74 ARG CG C 13 28.742 0.030 . 1 . . . . 203 ARG CG . 18849 1 813 . 1 1 74 74 ARG CD C 13 44.109 0.108 . 1 . . . . 203 ARG CD . 18849 1 814 . 1 1 74 74 ARG N N 15 122.405 0.011 . 1 . . . . 203 ARG N . 18849 1 815 . 1 1 75 75 ILE H H 1 8.470 0.004 . 1 . . . . 204 ILE H . 18849 1 816 . 1 1 75 75 ILE HA H 1 3.542 0.009 . 1 . . . . 204 ILE HA . 18849 1 817 . 1 1 75 75 ILE HB H 1 1.958 0.014 . 1 . . . . 204 ILE HB . 18849 1 818 . 1 1 75 75 ILE HG12 H 1 0.883 0.003 . 2 . . . . 204 ILE HG12 . 18849 1 819 . 1 1 75 75 ILE HG13 H 1 1.016 0.009 . 2 . . . . 204 ILE HG13 . 18849 1 820 . 1 1 75 75 ILE HG21 H 1 0.622 0.008 . 1 . . . . 204 ILE QG2 . 18849 1 821 . 1 1 75 75 ILE HG22 H 1 0.622 0.008 . 1 . . . . 204 ILE QG2 . 18849 1 822 . 1 1 75 75 ILE HG23 H 1 0.622 0.008 . 1 . . . . 204 ILE QG2 . 18849 1 823 . 1 1 75 75 ILE HD11 H 1 0.092 0.009 . 1 . . . . 204 ILE QD1 . 18849 1 824 . 1 1 75 75 ILE HD12 H 1 0.092 0.009 . 1 . . . . 204 ILE QD1 . 18849 1 825 . 1 1 75 75 ILE HD13 H 1 0.092 0.009 . 1 . . . . 204 ILE QD1 . 18849 1 826 . 1 1 75 75 ILE C C 13 177.800 0.000 . 1 . . . . 204 ILE C . 18849 1 827 . 1 1 75 75 ILE CA C 13 64.174 0.263 . 1 . . . . 204 ILE CA . 18849 1 828 . 1 1 75 75 ILE CB C 13 35.910 0.080 . 1 . . . . 204 ILE CB . 18849 1 829 . 1 1 75 75 ILE CG1 C 13 27.999 0.075 . 1 . . . . 204 ILE CG1 . 18849 1 830 . 1 1 75 75 ILE CG2 C 13 16.572 0.108 . 1 . . . . 204 ILE CG2 . 18849 1 831 . 1 1 75 75 ILE CD1 C 13 11.183 0.125 . 1 . . . . 204 ILE CD1 . 18849 1 832 . 1 1 75 75 ILE N N 15 121.025 0.027 . 1 . . . . 204 ILE N . 18849 1 833 . 1 1 76 76 SER H H 1 7.905 0.004 . 1 . . . . 205 SER H . 18849 1 834 . 1 1 76 76 SER HA H 1 4.302 0.000 . 1 . . . . 205 SER HA . 18849 1 835 . 1 1 76 76 SER HB2 H 1 4.007 0.010 . 2 . . . . 205 SER HB2 . 18849 1 836 . 1 1 76 76 SER HB3 H 1 4.106 0.004 . 2 . . . . 205 SER HB3 . 18849 1 837 . 1 1 76 76 SER C C 13 176.059 0.000 . 1 . . . . 205 SER C . 18849 1 838 . 1 1 76 76 SER CA C 13 61.743 0.000 . 1 . . . . 205 SER CA . 18849 1 839 . 1 1 76 76 SER CB C 13 62.810 0.003 . 1 . . . . 205 SER CB . 18849 1 840 . 1 1 76 76 SER N N 15 117.163 0.032 . 1 . . . . 205 SER N . 18849 1 841 . 1 1 77 77 ARG H H 1 7.629 0.003 . 1 . . . . 206 ARG H . 18849 1 842 . 1 1 77 77 ARG HA H 1 4.274 0.019 . 1 . . . . 206 ARG HA . 18849 1 843 . 1 1 77 77 ARG HB2 H 1 1.994 0.014 . 2 . . . . 206 ARG HB2 . 18849 1 844 . 1 1 77 77 ARG HB3 H 1 1.994 0.014 . 2 . . . . 206 ARG HB3 . 18849 1 845 . 1 1 77 77 ARG HG2 H 1 1.823 0.011 . 2 . . . . 206 ARG HG2 . 18849 1 846 . 1 1 77 77 ARG HG3 H 1 1.823 0.011 . 2 . . . . 206 ARG HG3 . 18849 1 847 . 1 1 77 77 ARG HD2 H 1 3.146 0.064 . 2 . . . . 206 ARG HD2 . 18849 1 848 . 1 1 77 77 ARG HD3 H 1 3.146 0.064 . 2 . . . . 206 ARG HD3 . 18849 1 849 . 1 1 77 77 ARG C C 13 178.999 0.000 . 1 . . . . 206 ARG C . 18849 1 850 . 1 1 77 77 ARG CA C 13 57.867 0.050 . 1 . . . . 206 ARG CA . 18849 1 851 . 1 1 77 77 ARG CB C 13 30.775 0.132 . 1 . . . . 206 ARG CB . 18849 1 852 . 1 1 77 77 ARG CG C 13 27.766 0.123 . 1 . . . . 206 ARG CG . 18849 1 853 . 1 1 77 77 ARG CD C 13 43.294 0.140 . 1 . . . . 206 ARG CD . 18849 1 854 . 1 1 77 77 ARG N N 15 121.255 0.027 . 1 . . . . 206 ARG N . 18849 1 855 . 1 1 78 78 ILE H H 1 8.124 0.004 . 1 . . . . 207 ILE H . 18849 1 856 . 1 1 78 78 ILE HA H 1 3.847 0.012 . 1 . . . . 207 ILE HA . 18849 1 857 . 1 1 78 78 ILE HB H 1 1.919 0.002 . 1 . . . . 207 ILE HB . 18849 1 858 . 1 1 78 78 ILE HG12 H 1 1.091 0.000 . 2 . . . . 207 ILE HG12 . 18849 1 859 . 1 1 78 78 ILE HG13 H 1 1.091 0.000 . 2 . . . . 207 ILE HG13 . 18849 1 860 . 1 1 78 78 ILE HG21 H 1 0.984 0.007 . 1 . . . . 207 ILE QG2 . 18849 1 861 . 1 1 78 78 ILE HG22 H 1 0.984 0.007 . 1 . . . . 207 ILE QG2 . 18849 1 862 . 1 1 78 78 ILE HG23 H 1 0.984 0.007 . 1 . . . . 207 ILE QG2 . 18849 1 863 . 1 1 78 78 ILE HD11 H 1 0.823 0.010 . 1 . . . . 207 ILE QD1 . 18849 1 864 . 1 1 78 78 ILE HD12 H 1 0.823 0.010 . 1 . . . . 207 ILE QD1 . 18849 1 865 . 1 1 78 78 ILE HD13 H 1 0.823 0.010 . 1 . . . . 207 ILE QD1 . 18849 1 866 . 1 1 78 78 ILE C C 13 177.614 0.000 . 1 . . . . 207 ILE C . 18849 1 867 . 1 1 78 78 ILE CA C 13 65.213 0.175 . 1 . . . . 207 ILE CA . 18849 1 868 . 1 1 78 78 ILE CB C 13 39.492 0.108 . 1 . . . . 207 ILE CB . 18849 1 869 . 1 1 78 78 ILE CG1 C 13 28.824 0.000 . 1 . . . . 207 ILE CG1 . 18849 1 870 . 1 1 78 78 ILE CG2 C 13 18.739 0.055 . 1 . . . . 207 ILE CG2 . 18849 1 871 . 1 1 78 78 ILE CD1 C 13 15.055 0.053 . 1 . . . . 207 ILE CD1 . 18849 1 872 . 1 1 78 78 ILE N N 15 119.669 0.034 . 1 . . . . 207 ILE N . 18849 1 873 . 1 1 79 79 ARG H H 1 7.879 0.005 . 1 . . . . 208 ARG H . 18849 1 874 . 1 1 79 79 ARG N N 15 117.149 0.006 . 1 . . . . 208 ARG N . 18849 1 875 . 1 1 80 80 PRO HA H 1 4.652 0.007 . 1 . . . . 209 PRO HA . 18849 1 876 . 1 1 80 80 PRO HB2 H 1 1.977 0.007 . 2 . . . . 209 PRO HB2 . 18849 1 877 . 1 1 80 80 PRO HB3 H 1 2.298 0.007 . 2 . . . . 209 PRO HB3 . 18849 1 878 . 1 1 80 80 PRO HG2 H 1 2.072 0.012 . 2 . . . . 209 PRO HG2 . 18849 1 879 . 1 1 80 80 PRO HG3 H 1 2.111 0.006 . 2 . . . . 209 PRO HG3 . 18849 1 880 . 1 1 80 80 PRO HD2 H 1 3.522 0.003 . 2 . . . . 209 PRO HD2 . 18849 1 881 . 1 1 80 80 PRO HD3 H 1 3.903 0.008 . 2 . . . . 209 PRO HD3 . 18849 1 882 . 1 1 80 80 PRO C C 13 180.113 0.000 . 1 . . . . 209 PRO C . 18849 1 883 . 1 1 80 80 PRO CA C 13 65.957 0.222 . 1 . . . . 209 PRO CA . 18849 1 884 . 1 1 80 80 PRO CB C 13 30.682 0.000 . 1 . . . . 209 PRO CB . 18849 1 885 . 1 1 80 80 PRO CG C 13 28.477 0.164 . 1 . . . . 209 PRO CG . 18849 1 886 . 1 1 80 80 PRO CD C 13 50.381 0.158 . 1 . . . . 209 PRO CD . 18849 1 887 . 1 1 81 81 LYS H H 1 6.956 0.003 . 1 . . . . 210 LYS H . 18849 1 888 . 1 1 81 81 LYS HA H 1 4.114 0.011 . 1 . . . . 210 LYS HA . 18849 1 889 . 1 1 81 81 LYS HB2 H 1 1.671 0.007 . 2 . . . . 210 LYS HB2 . 18849 1 890 . 1 1 81 81 LYS HB3 H 1 2.088 0.013 . 2 . . . . 210 LYS HB3 . 18849 1 891 . 1 1 81 81 LYS HG2 H 1 1.189 0.000 . 2 . . . . 210 LYS HG2 . 18849 1 892 . 1 1 81 81 LYS HG3 H 1 1.292 0.000 . 2 . . . . 210 LYS HG3 . 18849 1 893 . 1 1 81 81 LYS HD2 H 1 1.164 0.000 . 2 . . . . 210 LYS HD2 . 18849 1 894 . 1 1 81 81 LYS HD3 H 1 1.280 0.000 . 2 . . . . 210 LYS HD3 . 18849 1 895 . 1 1 81 81 LYS HE2 H 1 2.767 0.007 . 2 . . . . 210 LYS HE2 . 18849 1 896 . 1 1 81 81 LYS HE3 H 1 2.767 0.007 . 2 . . . . 210 LYS HE3 . 18849 1 897 . 1 1 81 81 LYS C C 13 177.351 0.000 . 1 . . . . 210 LYS C . 18849 1 898 . 1 1 81 81 LYS CA C 13 59.548 0.162 . 1 . . . . 210 LYS CA . 18849 1 899 . 1 1 81 81 LYS CB C 13 33.471 0.174 . 1 . . . . 210 LYS CB . 18849 1 900 . 1 1 81 81 LYS CG C 13 27.320 0.000 . 1 . . . . 210 LYS CG . 18849 1 901 . 1 1 81 81 LYS CD C 13 29.924 0.000 . 1 . . . . 210 LYS CD . 18849 1 902 . 1 1 81 81 LYS CE C 13 41.965 0.212 . 1 . . . . 210 LYS CE . 18849 1 903 . 1 1 81 81 LYS N N 15 118.521 0.032 . 1 . . . . 210 LYS N . 18849 1 904 . 1 1 82 82 ILE H H 1 7.383 0.004 . 1 . . . . 211 ILE H . 18849 1 905 . 1 1 82 82 ILE HA H 1 4.778 0.009 . 1 . . . . 211 ILE HA . 18849 1 906 . 1 1 82 82 ILE HB H 1 2.502 0.008 . 1 . . . . 211 ILE HB . 18849 1 907 . 1 1 82 82 ILE HG12 H 1 1.504 0.014 . 2 . . . . 211 ILE HG12 . 18849 1 908 . 1 1 82 82 ILE HG13 H 1 1.504 0.014 . 2 . . . . 211 ILE HG13 . 18849 1 909 . 1 1 82 82 ILE HG21 H 1 1.101 0.006 . 1 . . . . 211 ILE QG2 . 18849 1 910 . 1 1 82 82 ILE HG22 H 1 1.101 0.006 . 1 . . . . 211 ILE QG2 . 18849 1 911 . 1 1 82 82 ILE HG23 H 1 1.101 0.006 . 1 . . . . 211 ILE QG2 . 18849 1 912 . 1 1 82 82 ILE HD11 H 1 0.845 0.013 . 1 . . . . 211 ILE QD1 . 18849 1 913 . 1 1 82 82 ILE HD12 H 1 0.845 0.013 . 1 . . . . 211 ILE QD1 . 18849 1 914 . 1 1 82 82 ILE HD13 H 1 0.845 0.013 . 1 . . . . 211 ILE QD1 . 18849 1 915 . 1 1 82 82 ILE C C 13 175.293 0.000 . 1 . . . . 211 ILE C . 18849 1 916 . 1 1 82 82 ILE CA C 13 60.404 0.000 . 1 . . . . 211 ILE CA . 18849 1 917 . 1 1 82 82 ILE CB C 13 38.233 0.112 . 1 . . . . 211 ILE CB . 18849 1 918 . 1 1 82 82 ILE CG1 C 13 27.117 0.130 . 1 . . . . 211 ILE CG1 . 18849 1 919 . 1 1 82 82 ILE CG2 C 13 19.126 0.066 . 1 . . . . 211 ILE CG2 . 18849 1 920 . 1 1 82 82 ILE CD1 C 13 15.457 0.063 . 1 . . . . 211 ILE CD1 . 18849 1 921 . 1 1 82 82 ILE N N 15 107.649 0.026 . 1 . . . . 211 ILE N . 18849 1 922 . 1 1 83 83 GLY H H 1 7.590 0.002 . 1 . . . . 212 GLY H . 18849 1 923 . 1 1 83 83 GLY HA2 H 1 3.756 0.000 . 2 . . . . 212 GLY HA2 . 18849 1 924 . 1 1 83 83 GLY HA3 H 1 4.166 0.002 . 2 . . . . 212 GLY HA3 . 18849 1 925 . 1 1 83 83 GLY C C 13 174.551 0.000 . 1 . . . . 212 GLY C . 18849 1 926 . 1 1 83 83 GLY CA C 13 45.625 0.047 . 1 . . . . 212 GLY CA . 18849 1 927 . 1 1 83 83 GLY N N 15 109.467 0.035 . 1 . . . . 212 GLY N . 18849 1 928 . 1 1 84 84 ASP H H 1 8.327 0.007 . 1 . . . . 213 ASP H . 18849 1 929 . 1 1 84 84 ASP HA H 1 4.959 0.009 . 1 . . . . 213 ASP HA . 18849 1 930 . 1 1 84 84 ASP HB2 H 1 2.220 0.009 . 2 . . . . 213 ASP HB2 . 18849 1 931 . 1 1 84 84 ASP HB3 H 1 2.374 0.009 . 2 . . . . 213 ASP HB3 . 18849 1 932 . 1 1 84 84 ASP C C 13 175.741 0.000 . 1 . . . . 213 ASP C . 18849 1 933 . 1 1 84 84 ASP CA C 13 53.112 0.210 . 1 . . . . 213 ASP CA . 18849 1 934 . 1 1 84 84 ASP CB C 13 43.312 0.000 . 1 . . . . 213 ASP CB . 18849 1 935 . 1 1 84 84 ASP N N 15 123.091 0.049 . 1 . . . . 213 ASP N . 18849 1 936 . 1 1 85 85 ASP H H 1 8.842 0.001 . 1 . . . . 214 ASP H . 18849 1 937 . 1 1 85 85 ASP HA H 1 4.752 0.008 . 1 . . . . 214 ASP HA . 18849 1 938 . 1 1 85 85 ASP HB2 H 1 2.622 0.008 . 2 . . . . 214 ASP HB2 . 18849 1 939 . 1 1 85 85 ASP HB3 H 1 2.752 0.006 . 2 . . . . 214 ASP HB3 . 18849 1 940 . 1 1 85 85 ASP C C 13 175.747 0.000 . 1 . . . . 214 ASP C . 18849 1 941 . 1 1 85 85 ASP CA C 13 51.371 0.000 . 1 . . . . 214 ASP CA . 18849 1 942 . 1 1 85 85 ASP CB C 13 42.757 0.150 . 1 . . . . 214 ASP CB . 18849 1 943 . 1 1 85 85 ASP N N 15 126.609 0.030 . 1 . . . . 214 ASP N . 18849 1 944 . 1 1 86 86 PRO HA H 1 4.063 0.013 . 1 . . . . 215 PRO HA . 18849 1 945 . 1 1 86 86 PRO HB2 H 1 2.080 0.011 . 2 . . . . 215 PRO HB2 . 18849 1 946 . 1 1 86 86 PRO HB3 H 1 2.369 0.011 . 2 . . . . 215 PRO HB3 . 18849 1 947 . 1 1 86 86 PRO HG2 H 1 1.966 0.007 . 2 . . . . 215 PRO HG2 . 18849 1 948 . 1 1 86 86 PRO HG3 H 1 2.162 0.010 . 2 . . . . 215 PRO HG3 . 18849 1 949 . 1 1 86 86 PRO HD2 H 1 3.940 0.008 . 2 . . . . 215 PRO HD2 . 18849 1 950 . 1 1 86 86 PRO HD3 H 1 3.940 0.008 . 2 . . . . 215 PRO HD3 . 18849 1 951 . 1 1 86 86 PRO C C 13 177.837 0.000 . 1 . . . . 215 PRO C . 18849 1 952 . 1 1 86 86 PRO CA C 13 64.995 0.232 . 1 . . . . 215 PRO CA . 18849 1 953 . 1 1 86 86 PRO CB C 13 32.874 0.135 . 1 . . . . 215 PRO CB . 18849 1 954 . 1 1 86 86 PRO CG C 13 27.960 0.159 . 1 . . . . 215 PRO CG . 18849 1 955 . 1 1 86 86 PRO CD C 13 50.985 0.191 . 1 . . . . 215 PRO CD . 18849 1 956 . 1 1 87 87 GLU H H 1 8.133 0.001 . 1 . . . . 216 GLU H . 18849 1 957 . 1 1 87 87 GLU HA H 1 4.326 0.009 . 1 . . . . 216 GLU HA . 18849 1 958 . 1 1 87 87 GLU HB2 H 1 2.024 0.019 . 2 . . . . 216 GLU HB2 . 18849 1 959 . 1 1 87 87 GLU HB3 H 1 2.072 0.003 . 2 . . . . 216 GLU HB3 . 18849 1 960 . 1 1 87 87 GLU HG2 H 1 2.284 0.008 . 2 . . . . 216 GLU HG2 . 18849 1 961 . 1 1 87 87 GLU HG3 H 1 2.284 0.008 . 2 . . . . 216 GLU HG3 . 18849 1 962 . 1 1 87 87 GLU C C 13 176.740 0.000 . 1 . . . . 216 GLU C . 18849 1 963 . 1 1 87 87 GLU CA C 13 56.639 0.212 . 1 . . . . 216 GLU CA . 18849 1 964 . 1 1 87 87 GLU CB C 13 30.692 0.138 . 1 . . . . 216 GLU CB . 18849 1 965 . 1 1 87 87 GLU CG C 13 36.590 0.139 . 1 . . . . 216 GLU CG . 18849 1 966 . 1 1 87 87 GLU N N 15 116.755 0.024 . 1 . . . . 216 GLU N . 18849 1 967 . 1 1 88 88 ASN H H 1 7.721 0.002 . 1 . . . . 217 ASN H . 18849 1 968 . 1 1 88 88 ASN HA H 1 4.942 0.008 . 1 . . . . 217 ASN HA . 18849 1 969 . 1 1 88 88 ASN HB2 H 1 2.556 0.014 . 2 . . . . 217 ASN HB2 . 18849 1 970 . 1 1 88 88 ASN HB3 H 1 2.619 0.001 . 2 . . . . 217 ASN HB3 . 18849 1 971 . 1 1 88 88 ASN C C 13 170.525 0.000 . 1 . . . . 217 ASN C . 18849 1 972 . 1 1 88 88 ASN CA C 13 51.431 0.170 . 1 . . . . 217 ASN CA . 18849 1 973 . 1 1 88 88 ASN CB C 13 38.842 0.034 . 1 . . . . 217 ASN CB . 18849 1 974 . 1 1 88 88 ASN N N 15 117.451 0.023 . 1 . . . . 217 ASN N . 18849 1 975 . 1 1 89 89 PRO HA H 1 4.403 0.013 . 1 . . . . 218 PRO HA . 18849 1 976 . 1 1 89 89 PRO HB2 H 1 1.938 0.009 . 2 . . . . 218 PRO HB2 . 18849 1 977 . 1 1 89 89 PRO HB3 H 1 2.155 0.009 . 2 . . . . 218 PRO HB3 . 18849 1 978 . 1 1 89 89 PRO HG2 H 1 1.839 0.010 . 2 . . . . 218 PRO HG2 . 18849 1 979 . 1 1 89 89 PRO HG3 H 1 1.997 0.009 . 2 . . . . 218 PRO HG3 . 18849 1 980 . 1 1 89 89 PRO HD2 H 1 3.361 0.010 . 2 . . . . 218 PRO HD2 . 18849 1 981 . 1 1 89 89 PRO HD3 H 1 3.524 0.007 . 2 . . . . 218 PRO HD3 . 18849 1 982 . 1 1 89 89 PRO C C 13 176.875 0.000 . 1 . . . . 218 PRO C . 18849 1 983 . 1 1 89 89 PRO CA C 13 64.578 0.272 . 1 . . . . 218 PRO CA . 18849 1 984 . 1 1 89 89 PRO CB C 13 33.501 0.188 . 1 . . . . 218 PRO CB . 18849 1 985 . 1 1 89 89 PRO CG C 13 27.930 0.133 . 1 . . . . 218 PRO CG . 18849 1 986 . 1 1 89 89 PRO CD C 13 50.471 0.188 . 1 . . . . 218 PRO CD . 18849 1 987 . 1 1 90 90 LYS H H 1 9.605 0.002 . 1 . . . . 219 LYS H . 18849 1 988 . 1 1 90 90 LYS HA H 1 4.358 0.008 . 1 . . . . 219 LYS HA . 18849 1 989 . 1 1 90 90 LYS HB2 H 1 1.802 0.008 . 2 . . . . 219 LYS HB2 . 18849 1 990 . 1 1 90 90 LYS HB3 H 1 1.802 0.008 . 2 . . . . 219 LYS HB3 . 18849 1 991 . 1 1 90 90 LYS HG2 H 1 1.542 0.125 . 2 . . . . 219 LYS HG2 . 18849 1 992 . 1 1 90 90 LYS HG3 H 1 1.542 0.125 . 2 . . . . 219 LYS HG3 . 18849 1 993 . 1 1 90 90 LYS HD2 H 1 1.695 0.000 . 2 . . . . 219 LYS HD2 . 18849 1 994 . 1 1 90 90 LYS HD3 H 1 1.695 0.000 . 2 . . . . 219 LYS HD3 . 18849 1 995 . 1 1 90 90 LYS HE2 H 1 2.889 0.000 . 2 . . . . 219 LYS HE2 . 18849 1 996 . 1 1 90 90 LYS HE3 H 1 3.023 0.000 . 2 . . . . 219 LYS HE3 . 18849 1 997 . 1 1 90 90 LYS C C 13 176.192 0.000 . 1 . . . . 219 LYS C . 18849 1 998 . 1 1 90 90 LYS CB C 13 35.458 0.157 . 1 . . . . 219 LYS CB . 18849 1 999 . 1 1 90 90 LYS CG C 13 25.129 0.000 . 1 . . . . 219 LYS CG . 18849 1 1000 . 1 1 90 90 LYS CD C 13 29.333 0.000 . 1 . . . . 219 LYS CD . 18849 1 1001 . 1 1 90 90 LYS CE C 13 42.012 0.270 . 1 . . . . 219 LYS CE . 18849 1 1002 . 1 1 90 90 LYS N N 15 124.459 0.017 . 1 . . . . 219 LYS N . 18849 1 1003 . 1 1 91 91 ARG H H 1 9.945 0.003 . 1 . . . . 220 ARG H . 18849 1 1004 . 1 1 91 91 ARG HA H 1 4.231 0.012 . 1 . . . . 220 ARG HA . 18849 1 1005 . 1 1 91 91 ARG HB2 H 1 1.246 0.015 . 2 . . . . 220 ARG HB2 . 18849 1 1006 . 1 1 91 91 ARG HB3 H 1 1.587 0.010 . 2 . . . . 220 ARG HB3 . 18849 1 1007 . 1 1 91 91 ARG HG2 H 1 1.046 0.004 . 2 . . . . 220 ARG HG2 . 18849 1 1008 . 1 1 91 91 ARG HG3 H 1 1.184 0.007 . 2 . . . . 220 ARG HG3 . 18849 1 1009 . 1 1 91 91 ARG HD2 H 1 2.611 0.015 . 2 . . . . 220 ARG HD2 . 18849 1 1010 . 1 1 91 91 ARG HD3 H 1 2.816 0.008 . 2 . . . . 220 ARG HD3 . 18849 1 1011 . 1 1 91 91 ARG C C 13 175.289 0.000 . 1 . . . . 220 ARG C . 18849 1 1012 . 1 1 91 91 ARG CA C 13 56.742 0.016 . 1 . . . . 220 ARG CA . 18849 1 1013 . 1 1 91 91 ARG CB C 13 30.883 0.207 . 1 . . . . 220 ARG CB . 18849 1 1014 . 1 1 91 91 ARG CG C 13 26.912 0.222 . 1 . . . . 220 ARG CG . 18849 1 1015 . 1 1 91 91 ARG CD C 13 42.756 0.166 . 1 . . . . 220 ARG CD . 18849 1 1016 . 1 1 91 91 ARG N N 15 123.572 0.011 . 1 . . . . 220 ARG N . 18849 1 1017 . 1 1 92 92 ILE H H 1 8.633 0.002 . 1 . . . . 221 ILE H . 18849 1 1018 . 1 1 92 92 ILE HA H 1 4.742 0.006 . 1 . . . . 221 ILE HA . 18849 1 1019 . 1 1 92 92 ILE HB H 1 1.592 0.004 . 1 . . . . 221 ILE HB . 18849 1 1020 . 1 1 92 92 ILE HG12 H 1 1.412 0.000 . 2 . . . . 221 ILE HG12 . 18849 1 1021 . 1 1 92 92 ILE HG13 H 1 1.412 0.000 . 2 . . . . 221 ILE HG13 . 18849 1 1022 . 1 1 92 92 ILE HG21 H 1 0.697 0.009 . 1 . . . . 221 ILE QG2 . 18849 1 1023 . 1 1 92 92 ILE HG22 H 1 0.697 0.009 . 1 . . . . 221 ILE QG2 . 18849 1 1024 . 1 1 92 92 ILE HG23 H 1 0.697 0.009 . 1 . . . . 221 ILE QG2 . 18849 1 1025 . 1 1 92 92 ILE HD11 H 1 0.798 0.006 . 1 . . . . 221 ILE QD1 . 18849 1 1026 . 1 1 92 92 ILE HD12 H 1 0.798 0.006 . 1 . . . . 221 ILE QD1 . 18849 1 1027 . 1 1 92 92 ILE HD13 H 1 0.798 0.006 . 1 . . . . 221 ILE QD1 . 18849 1 1028 . 1 1 92 92 ILE C C 13 176.219 0.000 . 1 . . . . 221 ILE C . 18849 1 1029 . 1 1 92 92 ILE CA C 13 60.086 0.000 . 1 . . . . 221 ILE CA . 18849 1 1030 . 1 1 92 92 ILE CB C 13 38.752 0.238 . 1 . . . . 221 ILE CB . 18849 1 1031 . 1 1 92 92 ILE CG1 C 13 28.069 0.000 . 1 . . . . 221 ILE CG1 . 18849 1 1032 . 1 1 92 92 ILE CG2 C 13 17.948 0.055 . 1 . . . . 221 ILE CG2 . 18849 1 1033 . 1 1 92 92 ILE CD1 C 13 14.431 0.050 . 1 . . . . 221 ILE CD1 . 18849 1 1034 . 1 1 92 92 ILE N N 15 117.958 0.056 . 1 . . . . 221 ILE N . 18849 1 1035 . 1 1 93 93 LYS H H 1 9.469 0.002 . 1 . . . . 222 LYS H . 18849 1 1036 . 1 1 93 93 LYS HA H 1 4.480 0.015 . 1 . . . . 222 LYS HA . 18849 1 1037 . 1 1 93 93 LYS HB2 H 1 1.485 0.000 . 2 . . . . 222 LYS HB2 . 18849 1 1038 . 1 1 93 93 LYS HB3 H 1 1.663 0.000 . 2 . . . . 222 LYS HB3 . 18849 1 1039 . 1 1 93 93 LYS HG2 H 1 1.090 0.000 . 2 . . . . 222 LYS HG2 . 18849 1 1040 . 1 1 93 93 LYS HG3 H 1 1.146 0.000 . 2 . . . . 222 LYS HG3 . 18849 1 1041 . 1 1 93 93 LYS HD2 H 1 1.472 0.014 . 2 . . . . 222 LYS HD2 . 18849 1 1042 . 1 1 93 93 LYS HD3 H 1 1.472 0.014 . 2 . . . . 222 LYS HD3 . 18849 1 1043 . 1 1 93 93 LYS HE2 H 1 2.902 0.005 . 2 . . . . 222 LYS HE2 . 18849 1 1044 . 1 1 93 93 LYS HE3 H 1 2.902 0.005 . 2 . . . . 222 LYS HE3 . 18849 1 1045 . 1 1 93 93 LYS C C 13 176.219 0.000 . 1 . . . . 222 LYS C . 18849 1 1046 . 1 1 93 93 LYS CA C 13 55.207 0.145 . 1 . . . . 222 LYS CA . 18849 1 1047 . 1 1 93 93 LYS CB C 13 34.705 0.196 . 1 . . . . 222 LYS CB . 18849 1 1048 . 1 1 93 93 LYS CG C 13 25.516 0.148 . 1 . . . . 222 LYS CG . 18849 1 1049 . 1 1 93 93 LYS CD C 13 29.128 0.130 . 1 . . . . 222 LYS CD . 18849 1 1050 . 1 1 93 93 LYS CE C 13 41.820 0.058 . 1 . . . . 222 LYS CE . 18849 1 1051 . 1 1 93 93 LYS N N 15 129.519 0.026 . 1 . . . . 222 LYS N . 18849 1 1052 . 1 1 94 94 THR H H 1 9.182 0.006 . 1 . . . . 223 THR H . 18849 1 1053 . 1 1 94 94 THR HA H 1 4.286 0.009 . 1 . . . . 223 THR HA . 18849 1 1054 . 1 1 94 94 THR HB H 1 4.092 0.008 . 1 . . . . 223 THR HB . 18849 1 1055 . 1 1 94 94 THR HG21 H 1 1.012 0.008 . 1 . . . . 223 THR QG2 . 18849 1 1056 . 1 1 94 94 THR HG22 H 1 1.012 0.008 . 1 . . . . 223 THR QG2 . 18849 1 1057 . 1 1 94 94 THR HG23 H 1 1.012 0.008 . 1 . . . . 223 THR QG2 . 18849 1 1058 . 1 1 94 94 THR C C 13 174.159 0.000 . 1 . . . . 223 THR C . 18849 1 1059 . 1 1 94 94 THR CA C 13 62.213 0.082 . 1 . . . . 223 THR CA . 18849 1 1060 . 1 1 94 94 THR CB C 13 69.267 0.151 . 1 . . . . 223 THR CB . 18849 1 1061 . 1 1 94 94 THR CG2 C 13 22.603 0.140 . 1 . . . . 223 THR CG2 . 18849 1 1062 . 1 1 94 94 THR N N 15 121.507 0.016 . 1 . . . . 223 THR N . 18849 1 1063 . 1 1 95 95 VAL H H 1 8.593 0.004 . 1 . . . . 224 VAL H . 18849 1 1064 . 1 1 95 95 VAL HA H 1 4.086 0.008 . 1 . . . . 224 VAL HA . 18849 1 1065 . 1 1 95 95 VAL HB H 1 1.595 0.006 . 1 . . . . 224 VAL HB . 18849 1 1066 . 1 1 95 95 VAL HG11 H 1 0.628 0.009 . 2 . . . . 224 VAL QG1 . 18849 1 1067 . 1 1 95 95 VAL HG12 H 1 0.628 0.009 . 2 . . . . 224 VAL QG1 . 18849 1 1068 . 1 1 95 95 VAL HG13 H 1 0.628 0.009 . 2 . . . . 224 VAL QG1 . 18849 1 1069 . 1 1 95 95 VAL HG21 H 1 0.796 0.011 . 2 . . . . 224 VAL QG2 . 18849 1 1070 . 1 1 95 95 VAL HG22 H 1 0.796 0.011 . 2 . . . . 224 VAL QG2 . 18849 1 1071 . 1 1 95 95 VAL HG23 H 1 0.796 0.011 . 2 . . . . 224 VAL QG2 . 18849 1 1072 . 1 1 95 95 VAL C C 13 175.262 0.000 . 1 . . . . 224 VAL C . 18849 1 1073 . 1 1 95 95 VAL CA C 13 61.455 0.037 . 1 . . . . 224 VAL CA . 18849 1 1074 . 1 1 95 95 VAL CB C 13 31.320 0.182 . 1 . . . . 224 VAL CB . 18849 1 1075 . 1 1 95 95 VAL CG1 C 13 20.389 0.089 . 1 . . . . 224 VAL CG1 . 18849 1 1076 . 1 1 95 95 VAL CG2 C 13 21.687 0.107 . 1 . . . . 224 VAL CG2 . 18849 1 1077 . 1 1 95 95 VAL N N 15 130.665 0.025 . 1 . . . . 224 VAL N . 18849 1 1078 . 1 1 97 97 SER C C 13 173.867 0.000 . 1 . . . . 226 SER C . 18849 1 1079 . 1 1 98 98 LYS H H 1 8.235 0.005 . 1 . . . . 227 LYS H . 18849 1 1080 . 1 1 98 98 LYS HA H 1 4.518 0.013 . 1 . . . . 227 LYS HA . 18849 1 1081 . 1 1 98 98 LYS HB2 H 1 1.494 0.009 . 2 . . . . 227 LYS HB2 . 18849 1 1082 . 1 1 98 98 LYS HB3 H 1 1.714 0.008 . 2 . . . . 227 LYS HB3 . 18849 1 1083 . 1 1 98 98 LYS HG2 H 1 1.304 0.014 . 2 . . . . 227 LYS HG2 . 18849 1 1084 . 1 1 98 98 LYS HG3 H 1 1.381 0.002 . 2 . . . . 227 LYS HG3 . 18849 1 1085 . 1 1 98 98 LYS HD2 H 1 1.566 0.000 . 2 . . . . 227 LYS HD2 . 18849 1 1086 . 1 1 98 98 LYS HD3 H 1 1.623 0.000 . 2 . . . . 227 LYS HD3 . 18849 1 1087 . 1 1 98 98 LYS HE2 H 1 2.937 0.026 . 2 . . . . 227 LYS HE2 . 18849 1 1088 . 1 1 98 98 LYS HE3 H 1 2.937 0.026 . 2 . . . . 227 LYS HE3 . 18849 1 1089 . 1 1 98 98 LYS C C 13 176.026 0.000 . 1 . . . . 227 LYS C . 18849 1 1090 . 1 1 98 98 LYS CA C 13 56.554 0.121 . 1 . . . . 227 LYS CA . 18849 1 1091 . 1 1 98 98 LYS CB C 13 35.118 0.143 . 1 . . . . 227 LYS CB . 18849 1 1092 . 1 1 98 98 LYS CG C 13 24.887 0.003 . 1 . . . . 227 LYS CG . 18849 1 1093 . 1 1 98 98 LYS CD C 13 28.778 0.163 . 1 . . . . 227 LYS CD . 18849 1 1094 . 1 1 98 98 LYS CE C 13 42.203 0.008 . 1 . . . . 227 LYS CE . 18849 1 1095 . 1 1 98 98 LYS N N 15 120.696 0.011 . 1 . . . . 227 LYS N . 18849 1 1096 . 1 1 99 99 GLY H H 1 7.716 0.000 . 1 . . . . 228 GLY H . 18849 1 1097 . 1 1 99 99 GLY HA2 H 1 3.416 0.008 . 2 . . . . 228 GLY HA2 . 18849 1 1098 . 1 1 99 99 GLY HA3 H 1 4.469 0.012 . 2 . . . . 228 GLY HA3 . 18849 1 1099 . 1 1 99 99 GLY C C 13 171.054 0.000 . 1 . . . . 228 GLY C . 18849 1 1100 . 1 1 99 99 GLY CA C 13 45.494 0.139 . 1 . . . . 228 GLY CA . 18849 1 1101 . 1 1 99 99 GLY N N 15 106.938 0.019 . 1 . . . . 228 GLY N . 18849 1 1102 . 1 1 100 100 TYR H H 1 8.860 0.003 . 1 . . . . 229 TYR H . 18849 1 1103 . 1 1 100 100 TYR HA H 1 5.202 0.008 . 1 . . . . 229 TYR HA . 18849 1 1104 . 1 1 100 100 TYR HB2 H 1 2.419 0.009 . 2 . . . . 229 TYR HB2 . 18849 1 1105 . 1 1 100 100 TYR HB3 H 1 2.723 0.007 . 2 . . . . 229 TYR HB3 . 18849 1 1106 . 1 1 100 100 TYR HD1 H 1 6.776 0.003 . 1 . . . . 229 TYR HD1 . 18849 1 1107 . 1 1 100 100 TYR HD2 H 1 6.776 0.003 . 1 . . . . 229 TYR HD2 . 18849 1 1108 . 1 1 100 100 TYR HE1 H 1 6.631 0.005 . 1 . . . . 229 TYR HE1 . 18849 1 1109 . 1 1 100 100 TYR HE2 H 1 6.631 0.005 . 1 . . . . 229 TYR HE2 . 18849 1 1110 . 1 1 100 100 TYR C C 13 172.746 0.000 . 1 . . . . 229 TYR C . 18849 1 1111 . 1 1 100 100 TYR CA C 13 57.422 0.170 . 1 . . . . 229 TYR CA . 18849 1 1112 . 1 1 100 100 TYR CB C 13 43.576 0.198 . 1 . . . . 229 TYR CB . 18849 1 1113 . 1 1 100 100 TYR CD1 C 13 132.829 0.000 . 1 . . . . 229 TYR CD1 . 18849 1 1114 . 1 1 100 100 TYR CE1 C 13 117.963 0.000 . 1 . . . . 229 TYR CE1 . 18849 1 1115 . 1 1 100 100 TYR N N 15 123.781 0.027 . 1 . . . . 229 TYR N . 18849 1 1116 . 1 1 101 101 LEU H H 1 8.634 0.003 . 1 . . . . 230 LEU H . 18849 1 1117 . 1 1 101 101 LEU HA H 1 4.748 0.007 . 1 . . . . 230 LEU HA . 18849 1 1118 . 1 1 101 101 LEU HB2 H 1 1.198 0.011 . 2 . . . . 230 LEU HB2 . 18849 1 1119 . 1 1 101 101 LEU HB3 H 1 1.387 0.012 . 2 . . . . 230 LEU HB3 . 18849 1 1120 . 1 1 101 101 LEU HD11 H 1 0.586 0.007 . 2 . . . . 230 LEU QD1 . 18849 1 1121 . 1 1 101 101 LEU HD12 H 1 0.586 0.007 . 2 . . . . 230 LEU QD1 . 18849 1 1122 . 1 1 101 101 LEU HD13 H 1 0.586 0.007 . 2 . . . . 230 LEU QD1 . 18849 1 1123 . 1 1 101 101 LEU HD21 H 1 0.649 0.010 . 2 . . . . 230 LEU QD2 . 18849 1 1124 . 1 1 101 101 LEU HD22 H 1 0.649 0.010 . 2 . . . . 230 LEU QD2 . 18849 1 1125 . 1 1 101 101 LEU HD23 H 1 0.649 0.010 . 2 . . . . 230 LEU QD2 . 18849 1 1126 . 1 1 101 101 LEU C C 13 173.239 0.000 . 1 . . . . 230 LEU C . 18849 1 1127 . 1 1 101 101 LEU CA C 13 53.651 0.119 . 1 . . . . 230 LEU CA . 18849 1 1128 . 1 1 101 101 LEU CB C 13 47.897 0.160 . 1 . . . . 230 LEU CB . 18849 1 1129 . 1 1 101 101 LEU CD1 C 13 23.434 0.103 . 1 . . . . 230 LEU CD1 . 18849 1 1130 . 1 1 101 101 LEU CD2 C 13 26.416 0.142 . 1 . . . . 230 LEU CD2 . 18849 1 1131 . 1 1 101 101 LEU N N 15 123.426 0.011 . 1 . . . . 230 LEU N . 18849 1 1132 . 1 1 102 102 PHE H H 1 9.722 0.004 . 1 . . . . 231 PHE H . 18849 1 1133 . 1 1 102 102 PHE HA H 1 5.096 0.009 . 1 . . . . 231 PHE HA . 18849 1 1134 . 1 1 102 102 PHE HB2 H 1 2.234 0.011 . 2 . . . . 231 PHE HB2 . 18849 1 1135 . 1 1 102 102 PHE HB3 H 1 3.114 0.009 . 2 . . . . 231 PHE HB3 . 18849 1 1136 . 1 1 102 102 PHE HD1 H 1 6.629 0.001 . 1 . . . . 231 PHE HD1 . 18849 1 1137 . 1 1 102 102 PHE HD2 H 1 6.629 0.001 . 1 . . . . 231 PHE HD2 . 18849 1 1138 . 1 1 102 102 PHE HE1 H 1 6.303 0.000 . 1 . . . . 231 PHE HE1 . 18849 1 1139 . 1 1 102 102 PHE HE2 H 1 6.303 0.000 . 1 . . . . 231 PHE HE2 . 18849 1 1140 . 1 1 102 102 PHE HZ H 1 6.510 0.002 . 1 . . . . 231 PHE HZ . 18849 1 1141 . 1 1 102 102 PHE C C 13 174.797 0.000 . 1 . . . . 231 PHE C . 18849 1 1142 . 1 1 102 102 PHE CA C 13 56.067 0.182 . 1 . . . . 231 PHE CA . 18849 1 1143 . 1 1 102 102 PHE CB C 13 40.811 0.157 . 1 . . . . 231 PHE CB . 18849 1 1144 . 1 1 102 102 PHE CD1 C 13 131.072 0.000 . 1 . . . . 231 PHE CD1 . 18849 1 1145 . 1 1 102 102 PHE CE1 C 13 130.574 0.000 . 1 . . . . 231 PHE CE1 . 18849 1 1146 . 1 1 102 102 PHE CZ C 13 128.151 0.000 . 1 . . . . 231 PHE CZ . 18849 1 1147 . 1 1 102 102 PHE N N 15 132.383 0.016 . 1 . . . . 231 PHE N . 18849 1 1148 . 1 1 103 103 VAL H H 1 8.666 0.003 . 1 . . . . 232 VAL H . 18849 1 1149 . 1 1 103 103 VAL HA H 1 3.706 0.009 . 1 . . . . 232 VAL HA . 18849 1 1150 . 1 1 103 103 VAL HB H 1 2.001 0.007 . 1 . . . . 232 VAL HB . 18849 1 1151 . 1 1 103 103 VAL HG11 H 1 0.807 0.000 . 2 . . . . 232 VAL QG1 . 18849 1 1152 . 1 1 103 103 VAL HG12 H 1 0.807 0.000 . 2 . . . . 232 VAL QG1 . 18849 1 1153 . 1 1 103 103 VAL HG13 H 1 0.807 0.000 . 2 . . . . 232 VAL QG1 . 18849 1 1154 . 1 1 103 103 VAL HG21 H 1 0.868 0.012 . 2 . . . . 232 VAL QG2 . 18849 1 1155 . 1 1 103 103 VAL HG22 H 1 0.868 0.012 . 2 . . . . 232 VAL QG2 . 18849 1 1156 . 1 1 103 103 VAL HG23 H 1 0.868 0.012 . 2 . . . . 232 VAL QG2 . 18849 1 1157 . 1 1 103 103 VAL C C 13 175.125 0.000 . 1 . . . . 232 VAL C . 18849 1 1158 . 1 1 103 103 VAL CA C 13 63.734 0.257 . 1 . . . . 232 VAL CA . 18849 1 1159 . 1 1 103 103 VAL CB C 13 32.753 0.000 . 1 . . . . 232 VAL CB . 18849 1 1160 . 1 1 103 103 VAL CG1 C 13 21.974 0.000 . 1 . . . . 232 VAL CG1 . 18849 1 1161 . 1 1 103 103 VAL CG2 C 13 21.700 0.194 . 1 . . . . 232 VAL CG2 . 18849 1 1162 . 1 1 103 103 VAL N N 15 130.856 0.047 . 1 . . . . 232 VAL N . 18849 1 1163 . 1 1 104 104 LYS H H 1 8.485 0.004 . 1 . . . . 233 LYS H . 18849 1 1164 . 1 1 104 104 LYS N N 15 126.222 0.017 . 1 . . . . 233 LYS N . 18849 1 1165 . 1 1 105 105 GLU H H 1 8.235 0.005 . 1 . . . . 234 GLU H . 18849 1 1166 . 1 1 105 105 GLU HA H 1 4.515 0.000 . 1 . . . . 234 GLU HA . 18849 1 1167 . 1 1 105 105 GLU HB2 H 1 1.975 0.005 . 2 . . . . 234 GLU HB2 . 18849 1 1168 . 1 1 105 105 GLU HB3 H 1 2.086 0.000 . 2 . . . . 234 GLU HB3 . 18849 1 1169 . 1 1 105 105 GLU HG2 H 1 2.307 0.000 . 2 . . . . 234 GLU HG2 . 18849 1 1170 . 1 1 105 105 GLU HG3 H 1 2.307 0.000 . 2 . . . . 234 GLU HG3 . 18849 1 1171 . 1 1 105 105 GLU C C 13 176.082 0.000 . 1 . . . . 234 GLU C . 18849 1 1172 . 1 1 105 105 GLU CB C 13 30.672 0.084 . 1 . . . . 234 GLU CB . 18849 1 1173 . 1 1 105 105 GLU CG C 13 36.616 0.000 . 1 . . . . 234 GLU CG . 18849 1 1174 . 1 1 105 105 GLU N N 15 120.696 0.011 . 1 . . . . 234 GLU N . 18849 1 1175 . 1 1 106 106 THR H H 1 8.350 0.005 . 1 . . . . 235 THR H . 18849 1 1176 . 1 1 106 106 THR HA H 1 4.405 0.010 . 1 . . . . 235 THR HA . 18849 1 1177 . 1 1 106 106 THR HB H 1 4.288 0.006 . 1 . . . . 235 THR HB . 18849 1 1178 . 1 1 106 106 THR HG21 H 1 1.195 0.009 . 1 . . . . 235 THR QG2 . 18849 1 1179 . 1 1 106 106 THR HG22 H 1 1.195 0.009 . 1 . . . . 235 THR QG2 . 18849 1 1180 . 1 1 106 106 THR HG23 H 1 1.195 0.009 . 1 . . . . 235 THR QG2 . 18849 1 1181 . 1 1 106 106 THR C C 13 173.693 0.000 . 1 . . . . 235 THR C . 18849 1 1182 . 1 1 106 106 THR CA C 13 61.761 0.189 . 1 . . . . 235 THR CA . 18849 1 1183 . 1 1 106 106 THR CB C 13 69.762 0.058 . 1 . . . . 235 THR CB . 18849 1 1184 . 1 1 106 106 THR CG2 C 13 21.711 0.104 . 1 . . . . 235 THR CG2 . 18849 1 1185 . 1 1 106 106 THR N N 15 116.154 0.011 . 1 . . . . 235 THR N . 18849 1 1186 . 1 1 107 107 ASN H H 1 8.213 0.002 . 1 . . . . 236 ASN H . 18849 1 1187 . 1 1 107 107 ASN HA H 1 4.533 0.022 . 1 . . . . 236 ASN HA . 18849 1 1188 . 1 1 107 107 ASN HB2 H 1 2.788 0.008 . 2 . . . . 236 ASN HB2 . 18849 1 1189 . 1 1 107 107 ASN HB3 H 1 2.788 0.008 . 2 . . . . 236 ASN HB3 . 18849 1 1190 . 1 1 107 107 ASN C C 13 176.399 0.000 . 1 . . . . 236 ASN C . 18849 1 1191 . 1 1 107 107 ASN CA C 13 55.171 0.010 . 1 . . . . 236 ASN CA . 18849 1 1192 . 1 1 107 107 ASN CB C 13 41.029 0.022 . 1 . . . . 236 ASN CB . 18849 1 1193 . 1 1 107 107 ASN N N 15 127.414 0.028 . 1 . . . . 236 ASN N . 18849 1 1194 . 1 1 108 108 GLY H H 1 8.373 0.005 . 1 . . . . 237 GLY H . 18849 1 1195 . 1 1 108 108 GLY HA2 H 1 3.889 0.007 . 2 . . . . 237 GLY HA2 . 18849 1 1196 . 1 1 108 108 GLY HA3 H 1 3.933 0.026 . 2 . . . . 237 GLY HA3 . 18849 1 1197 . 1 1 108 108 GLY C C 13 177.616 0.000 . 1 . . . . 237 GLY C . 18849 1 1198 . 1 1 108 108 GLY CA C 13 45.916 0.027 . 1 . . . . 237 GLY CA . 18849 1 1199 . 1 1 108 108 GLY N N 15 115.728 0.079 . 1 . . . . 237 GLY N . 18849 1 1200 . 1 1 109 109 LEU H H 1 8.321 0.001 . 1 . . . . 238 LEU H . 18849 1 1201 . 1 1 109 109 LEU C C 13 177.402 0.000 . 1 . . . . 238 LEU C . 18849 1 1202 . 1 1 109 109 LEU N N 15 124.042 0.025 . 1 . . . . 238 LEU N . 18849 1 stop_ save_