data_5814 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 5814 _Entry.Title ; The C-terminal domain of Viral IAP associated factor (cVIAF) is a structural homolog of phosducin: Resonance assignments and secondary structure of the C-terminal domain of VIAF ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2003-06-03 _Entry.Accession_date 2003-06-03 _Entry.Last_release_date 2004-02-11 _Entry.Original_release_date 2004-02-11 _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version 2.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype . _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 Jaison Jacob . . . 5814 2 John Louis . M. . 5814 3 Bettina Richter . 'W. M.' . 5814 4 Colin Duckett . S. . 5814 5 Dennis Torchia . A. . 5814 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 5814 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 584 5814 '15N chemical shifts' 130 5814 '1H chemical shifts' 836 5814 stop_ loop_ _Release.Release_number _Release.Format_type _Release.Format_version _Release.Date _Release.Submission_date _Release.Type _Release.Author _Release.Detail _Release.Entry_ID 1 . . 2004-02-11 2003-06-03 original author . 5814 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 5814 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 14755167 _Citation.Full_citation . _Citation.Title ; Letter to the Editor: The C-terminal domain of Viral IAP associated factor (cVIAF) is a structural homologue of phosducin: Resonance assignments and secondary structure of the C-terminal domain of VIAF ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'J. Biomol. NMR' _Citation.Journal_name_full . _Citation.Journal_volume 28 _Citation.Journal_issue 2 _Citation.Journal_ASTM . _Citation.Journal_ISSN . _Citation.Journal_CSD . _Citation.Book_title . _Citation.Book_chapter_title . _Citation.Book_volume . _Citation.Book_series . _Citation.Book_publisher . _Citation.Book_publisher_city . _Citation.Book_ISBN . _Citation.Conference_title . _Citation.Conference_site . _Citation.Conference_state_province . _Citation.Conference_country . _Citation.Conference_start_date . _Citation.Conference_end_date . _Citation.Conference_abstract_number . _Citation.Thesis_institution . _Citation.Thesis_institution_city . _Citation.Thesis_institution_country . _Citation.WWW_URL . _Citation.Page_first 197 _Citation.Page_last 198 _Citation.Year 2004 _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 Jaison Jacob . . . 5814 1 2 John Louis . M. . 5814 1 3 Bettina Richter . 'W. M.' . 5814 1 4 Colin Duckett . S. . 5814 1 5 Dennis Torchia . A. . 5814 1 stop_ loop_ _Citation_keyword.Keyword _Citation_keyword.Entry_ID _Citation_keyword.Citation_ID apoptosis 5814 1 IAP 5814 1 'NMR assignments' 5814 1 phosducin 5814 1 VIAF 5814 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_system_cVIAF _Assembly.Sf_category assembly _Assembly.Sf_framecode system_cVIAF _Assembly.Entry_ID 5814 _Assembly.ID 1 _Assembly.Name 'C terminal domain of human VIAF' _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 'all free' _Assembly.Molecular_mass . _Assembly.Enzyme_commission_number . _Assembly.Details . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Assembly_type.Type _Assembly_type.Entry_ID _Assembly_type.Assembly_ID monomer 5814 1 stop_ 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 'cVIAF monomer' 1 $cVIAF_monomer . . . native . . . . . 5814 1 stop_ loop_ _Assembly_common_name.Name _Assembly_common_name.Type _Assembly_common_name.Entry_ID _Assembly_common_name.Assembly_ID 'C terminal domain of human VIAF' system 5814 1 cVIAF abbreviation 5814 1 stop_ loop_ _Assembly_bio_function.Biological_function _Assembly_bio_function.Entry_ID _Assembly_bio_function.Assembly_ID 'Regulator of Apoptosis' 5814 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_cVIAF_monomer _Entity.Sf_category entity _Entity.Sf_framecode cVIAF_monomer _Entity.Entry_ID 5814 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name 'viral IAP associated factor' _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 ; KNKFGEVLEISGKDYVQEVT KAGEGLWVILHLYKQGIPLC ALINQHLSGLARKFPDVKFI KAISTTCIPNYPDRNLPTIF VYLEGDIKAQFIGPLVFGGM NLTRDELEWKLSESGAIMTD LEENPKKPIEDVLLSSVRRS VLMKRDSDSEGD ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states . _Entity.Ambiguous_chem_comp_sites . _Entity.Nstd_monomer . _Entity.Nstd_chirality . _Entity.Nstd_linkage . _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 152 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic . _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 2015-01-28 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 BAG36697 . "unnamed protein product [Homo sapiens]" . . . . . 100.00 239 100.00 100.00 4.73e-106 . . . . 5814 1 2 no DBJ BAH13356 . "unnamed protein product [Homo sapiens]" . . . . . 100.00 217 100.00 100.00 7.72e-106 . . . . 5814 1 3 no EMBL CAH90983 . "hypothetical protein [Pongo abelii]" . . . . . 100.00 239 99.34 99.34 1.87e-105 . . . . 5814 1 4 no GB AAG21887 . "IAP-associated factor VIAF1 [Homo sapiens]" . . . . . 100.00 239 100.00 100.00 4.73e-106 . . . . 5814 1 5 no GB AAG44722 . "HTPHLP [Homo sapiens]" . . . . . 100.00 239 100.00 100.00 4.73e-106 . . . . 5814 1 6 no GB AAH01021 . "Phosducin-like 3 [Homo sapiens]" . . . . . 100.00 239 100.00 100.00 4.73e-106 . . . . 5814 1 7 no GB AAX93227 . "unknown [Homo sapiens]" . . . . . 100.00 239 100.00 100.00 4.73e-106 . . . . 5814 1 8 no GB ADQ33173 . "phosducin-like 3 [synthetic construct]" . . . . . 100.00 239 100.00 100.00 4.73e-106 . . . . 5814 1 9 no REF NP_001125567 . "phosducin-like protein 3 [Pongo abelii]" . . . . . 100.00 239 99.34 99.34 1.87e-105 . . . . 5814 1 10 no REF NP_076970 . "phosducin-like protein 3 [Homo sapiens]" . . . . . 100.00 239 100.00 100.00 4.73e-106 . . . . 5814 1 11 no REF XP_003274901 . "PREDICTED: phosducin-like protein 3 [Nomascus leucogenys]" . . . . . 100.00 239 98.68 99.34 9.93e-105 . . . . 5814 1 12 no REF XP_003815816 . "PREDICTED: phosducin-like protein 3 [Pan paniscus]" . . . . . 100.00 239 100.00 100.00 4.84e-106 . . . . 5814 1 13 no REF XP_525834 . "PREDICTED: phosducin-like protein 3 [Pan troglodytes]" . . . . . 100.00 239 100.00 100.00 4.84e-106 . . . . 5814 1 14 no SP Q5RB77 . "RecName: Full=Phosducin-like protein 3 [Pongo abelii]" . . . . . 100.00 239 99.34 99.34 1.87e-105 . . . . 5814 1 15 no SP Q9H2J4 . "RecName: Full=Phosducin-like protein 3; AltName: Full=HTPHLP; AltName: Full=PhPL3; AltName: Full=Viral IAP-associated factor 1;" . . . . . 100.00 239 100.00 100.00 4.73e-106 . . . . 5814 1 stop_ loop_ _Entity_common_name.Name _Entity_common_name.Type _Entity_common_name.Entry_ID _Entity_common_name.Entity_ID VIAF abbreviation 5814 1 'viral IAP associated factor' common 5814 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 88 LYS . 5814 1 2 89 ASN . 5814 1 3 90 LYS . 5814 1 4 91 PHE . 5814 1 5 92 GLY . 5814 1 6 93 GLU . 5814 1 7 94 VAL . 5814 1 8 95 LEU . 5814 1 9 96 GLU . 5814 1 10 97 ILE . 5814 1 11 98 SER . 5814 1 12 99 GLY . 5814 1 13 100 LYS . 5814 1 14 101 ASP . 5814 1 15 102 TYR . 5814 1 16 103 VAL . 5814 1 17 104 GLN . 5814 1 18 105 GLU . 5814 1 19 106 VAL . 5814 1 20 107 THR . 5814 1 21 108 LYS . 5814 1 22 109 ALA . 5814 1 23 110 GLY . 5814 1 24 111 GLU . 5814 1 25 112 GLY . 5814 1 26 113 LEU . 5814 1 27 114 TRP . 5814 1 28 115 VAL . 5814 1 29 116 ILE . 5814 1 30 117 LEU . 5814 1 31 118 HIS . 5814 1 32 119 LEU . 5814 1 33 120 TYR . 5814 1 34 121 LYS . 5814 1 35 122 GLN . 5814 1 36 123 GLY . 5814 1 37 124 ILE . 5814 1 38 125 PRO . 5814 1 39 126 LEU . 5814 1 40 127 CYS . 5814 1 41 128 ALA . 5814 1 42 129 LEU . 5814 1 43 130 ILE . 5814 1 44 131 ASN . 5814 1 45 132 GLN . 5814 1 46 133 HIS . 5814 1 47 134 LEU . 5814 1 48 135 SER . 5814 1 49 136 GLY . 5814 1 50 137 LEU . 5814 1 51 138 ALA . 5814 1 52 139 ARG . 5814 1 53 140 LYS . 5814 1 54 141 PHE . 5814 1 55 142 PRO . 5814 1 56 143 ASP . 5814 1 57 144 VAL . 5814 1 58 145 LYS . 5814 1 59 146 PHE . 5814 1 60 147 ILE . 5814 1 61 148 LYS . 5814 1 62 149 ALA . 5814 1 63 150 ILE . 5814 1 64 151 SER . 5814 1 65 152 THR . 5814 1 66 153 THR . 5814 1 67 154 CYS . 5814 1 68 155 ILE . 5814 1 69 156 PRO . 5814 1 70 157 ASN . 5814 1 71 158 TYR . 5814 1 72 159 PRO . 5814 1 73 160 ASP . 5814 1 74 161 ARG . 5814 1 75 162 ASN . 5814 1 76 163 LEU . 5814 1 77 164 PRO . 5814 1 78 165 THR . 5814 1 79 166 ILE . 5814 1 80 167 PHE . 5814 1 81 168 VAL . 5814 1 82 169 TYR . 5814 1 83 170 LEU . 5814 1 84 171 GLU . 5814 1 85 172 GLY . 5814 1 86 173 ASP . 5814 1 87 174 ILE . 5814 1 88 175 LYS . 5814 1 89 176 ALA . 5814 1 90 177 GLN . 5814 1 91 178 PHE . 5814 1 92 179 ILE . 5814 1 93 180 GLY . 5814 1 94 181 PRO . 5814 1 95 182 LEU . 5814 1 96 183 VAL . 5814 1 97 184 PHE . 5814 1 98 185 GLY . 5814 1 99 186 GLY . 5814 1 100 187 MET . 5814 1 101 188 ASN . 5814 1 102 189 LEU . 5814 1 103 190 THR . 5814 1 104 191 ARG . 5814 1 105 192 ASP . 5814 1 106 193 GLU . 5814 1 107 194 LEU . 5814 1 108 195 GLU . 5814 1 109 196 TRP . 5814 1 110 197 LYS . 5814 1 111 198 LEU . 5814 1 112 199 SER . 5814 1 113 200 GLU . 5814 1 114 201 SER . 5814 1 115 202 GLY . 5814 1 116 203 ALA . 5814 1 117 204 ILE . 5814 1 118 205 MET . 5814 1 119 206 THR . 5814 1 120 207 ASP . 5814 1 121 208 LEU . 5814 1 122 209 GLU . 5814 1 123 210 GLU . 5814 1 124 211 ASN . 5814 1 125 212 PRO . 5814 1 126 213 LYS . 5814 1 127 214 LYS . 5814 1 128 215 PRO . 5814 1 129 216 ILE . 5814 1 130 217 GLU . 5814 1 131 218 ASP . 5814 1 132 219 VAL . 5814 1 133 220 LEU . 5814 1 134 221 LEU . 5814 1 135 222 SER . 5814 1 136 223 SER . 5814 1 137 224 VAL . 5814 1 138 225 ARG . 5814 1 139 226 ARG . 5814 1 140 227 SER . 5814 1 141 228 VAL . 5814 1 142 229 LEU . 5814 1 143 230 MET . 5814 1 144 231 LYS . 5814 1 145 232 ARG . 5814 1 146 233 ASP . 5814 1 147 234 SER . 5814 1 148 235 ASP . 5814 1 149 236 SER . 5814 1 150 237 GLU . 5814 1 151 238 GLY . 5814 1 152 239 ASP . 5814 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 . LYS 1 1 5814 1 . ASN 2 2 5814 1 . LYS 3 3 5814 1 . PHE 4 4 5814 1 . GLY 5 5 5814 1 . GLU 6 6 5814 1 . VAL 7 7 5814 1 . LEU 8 8 5814 1 . GLU 9 9 5814 1 . ILE 10 10 5814 1 . SER 11 11 5814 1 . GLY 12 12 5814 1 . LYS 13 13 5814 1 . ASP 14 14 5814 1 . TYR 15 15 5814 1 . VAL 16 16 5814 1 . GLN 17 17 5814 1 . GLU 18 18 5814 1 . VAL 19 19 5814 1 . THR 20 20 5814 1 . LYS 21 21 5814 1 . ALA 22 22 5814 1 . GLY 23 23 5814 1 . GLU 24 24 5814 1 . GLY 25 25 5814 1 . LEU 26 26 5814 1 . TRP 27 27 5814 1 . VAL 28 28 5814 1 . ILE 29 29 5814 1 . LEU 30 30 5814 1 . HIS 31 31 5814 1 . LEU 32 32 5814 1 . TYR 33 33 5814 1 . LYS 34 34 5814 1 . GLN 35 35 5814 1 . GLY 36 36 5814 1 . ILE 37 37 5814 1 . PRO 38 38 5814 1 . LEU 39 39 5814 1 . CYS 40 40 5814 1 . ALA 41 41 5814 1 . LEU 42 42 5814 1 . ILE 43 43 5814 1 . ASN 44 44 5814 1 . GLN 45 45 5814 1 . HIS 46 46 5814 1 . LEU 47 47 5814 1 . SER 48 48 5814 1 . GLY 49 49 5814 1 . LEU 50 50 5814 1 . ALA 51 51 5814 1 . ARG 52 52 5814 1 . LYS 53 53 5814 1 . PHE 54 54 5814 1 . PRO 55 55 5814 1 . ASP 56 56 5814 1 . VAL 57 57 5814 1 . LYS 58 58 5814 1 . PHE 59 59 5814 1 . ILE 60 60 5814 1 . LYS 61 61 5814 1 . ALA 62 62 5814 1 . ILE 63 63 5814 1 . SER 64 64 5814 1 . THR 65 65 5814 1 . THR 66 66 5814 1 . CYS 67 67 5814 1 . ILE 68 68 5814 1 . PRO 69 69 5814 1 . ASN 70 70 5814 1 . TYR 71 71 5814 1 . PRO 72 72 5814 1 . ASP 73 73 5814 1 . ARG 74 74 5814 1 . ASN 75 75 5814 1 . LEU 76 76 5814 1 . PRO 77 77 5814 1 . THR 78 78 5814 1 . ILE 79 79 5814 1 . PHE 80 80 5814 1 . VAL 81 81 5814 1 . TYR 82 82 5814 1 . LEU 83 83 5814 1 . GLU 84 84 5814 1 . GLY 85 85 5814 1 . ASP 86 86 5814 1 . ILE 87 87 5814 1 . LYS 88 88 5814 1 . ALA 89 89 5814 1 . GLN 90 90 5814 1 . PHE 91 91 5814 1 . ILE 92 92 5814 1 . GLY 93 93 5814 1 . PRO 94 94 5814 1 . LEU 95 95 5814 1 . VAL 96 96 5814 1 . PHE 97 97 5814 1 . GLY 98 98 5814 1 . GLY 99 99 5814 1 . MET 100 100 5814 1 . ASN 101 101 5814 1 . LEU 102 102 5814 1 . THR 103 103 5814 1 . ARG 104 104 5814 1 . ASP 105 105 5814 1 . GLU 106 106 5814 1 . LEU 107 107 5814 1 . GLU 108 108 5814 1 . TRP 109 109 5814 1 . LYS 110 110 5814 1 . LEU 111 111 5814 1 . SER 112 112 5814 1 . GLU 113 113 5814 1 . SER 114 114 5814 1 . GLY 115 115 5814 1 . ALA 116 116 5814 1 . ILE 117 117 5814 1 . MET 118 118 5814 1 . THR 119 119 5814 1 . ASP 120 120 5814 1 . LEU 121 121 5814 1 . GLU 122 122 5814 1 . GLU 123 123 5814 1 . ASN 124 124 5814 1 . PRO 125 125 5814 1 . LYS 126 126 5814 1 . LYS 127 127 5814 1 . PRO 128 128 5814 1 . ILE 129 129 5814 1 . GLU 130 130 5814 1 . ASP 131 131 5814 1 . VAL 132 132 5814 1 . LEU 133 133 5814 1 . LEU 134 134 5814 1 . SER 135 135 5814 1 . SER 136 136 5814 1 . VAL 137 137 5814 1 . ARG 138 138 5814 1 . ARG 139 139 5814 1 . SER 140 140 5814 1 . VAL 141 141 5814 1 . LEU 142 142 5814 1 . MET 143 143 5814 1 . LYS 144 144 5814 1 . ARG 145 145 5814 1 . ASP 146 146 5814 1 . SER 147 147 5814 1 . ASP 148 148 5814 1 . SER 149 149 5814 1 . GLU 150 150 5814 1 . GLY 151 151 5814 1 . ASP 152 152 5814 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 5814 _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 $cVIAF_monomer . 9606 . . 'Homo sapiens' Human . . Eukaryota Metazoa Homo sapiens . . . . . . . . . . . . . . . . . . . . . 5814 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 5814 _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 $cVIAF_monomer . 'recombinant technology' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 5814 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 5814 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system . _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 'viral IAP associated factor' '[U-90% 15N]' . . 1 $cVIAF_monomer . . 1.1 . . mM . . . . 5814 1 2 'sodium phosphate' . . . . . . . 20 . . mM . . . . 5814 1 3 DTT [U-2H] . . . . . . 2 . . mM . . . . 5814 1 stop_ save_ save_sample_2 _Sample.Sf_category sample _Sample.Sf_framecode sample_2 _Sample.Entry_ID 5814 _Sample.ID 2 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system . _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 'viral IAP associated factor' '[U-95% 13C; U-90% 15N]' . . 1 $cVIAF_monomer . . 1 . . mM . . . . 5814 2 stop_ save_ save_sample_3 _Sample.Sf_category sample _Sample.Sf_framecode sample_3 _Sample.Entry_ID 5814 _Sample.ID 3 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system . _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 'viral IAP associated factor' '[U-10% 13C; U-90% 15N]' . . 1 $cVIAF_monomer . . 0.8 . . mM . . . . 5814 3 stop_ save_ ####################### # Sample conditions # ####################### save_cond-1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode cond-1 _Sample_condition_list.Entry_ID 5814 _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' 0.03 . M 5814 1 pH 7.2 0.1 n/a 5814 1 temperature 308 0.5 K 5814 1 stop_ save_ ############################ # Computer software used # ############################ save_nmrPipe _Software.Sf_category software _Software.Sf_framecode nmrPipe _Software.Entry_ID 5814 _Software.ID 1 _Software.Name NMRPipe _Software.Version . _Software.Details . loop_ _Task.Task _Task.Entry_ID _Task.Software_ID procesing 5814 1 stop_ save_ save_PIPP _Software.Sf_category software _Software.Sf_framecode PIPP _Software.Entry_ID 5814 _Software.ID 2 _Software.Name PIPP _Software.Version . _Software.Details . loop_ _Task.Task _Task.Entry_ID _Task.Software_ID analysis 5814 2 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_NMR_spectrometer_1 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer_1 _NMR_spectrometer.Entry_ID 5814 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model DMX _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 500 save_ save_NMR_spectrometer_2 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer_2 _NMR_spectrometer.Entry_ID 5814 _NMR_spectrometer.ID 2 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model DMX _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 750 save_ save_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode spectrometer_list _NMR_spectrometer_list.Entry_ID 5814 _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 NMR_spectrometer_1 Bruker DMX . 500 . . . 5814 1 2 NMR_spectrometer_2 Bruker DMX . 750 . . . 5814 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 5814 _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 '1H-15N HSQC' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 5814 1 2 HNCA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 5814 1 3 HNCO . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 5814 1 4 CBCACONH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 5814 1 5 HNCACB . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 5814 1 6 HCACO . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 5814 1 7 HCCH-TOCSY . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 5814 1 8 HCCONH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 5814 1 9 CCONH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 5814 1 10 '3D - HCCH NOESY' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 5814 1 11 '3D - 1H-15N NOESY' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 5814 1 12 '13C-1H CT-HSQC' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 5814 1 stop_ save_ save_NMR_spec_expt__0_1 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_1 _NMR_spec_expt.Entry_ID 5814 _NMR_spec_expt.ID 1 _NMR_spec_expt.Name '1H-15N HSQC' _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_2 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_2 _NMR_spec_expt.Entry_ID 5814 _NMR_spec_expt.ID 2 _NMR_spec_expt.Name HNCA _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_3 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_3 _NMR_spec_expt.Entry_ID 5814 _NMR_spec_expt.ID 3 _NMR_spec_expt.Name HNCO _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_4 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_4 _NMR_spec_expt.Entry_ID 5814 _NMR_spec_expt.ID 4 _NMR_spec_expt.Name CBCACONH _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_5 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_5 _NMR_spec_expt.Entry_ID 5814 _NMR_spec_expt.ID 5 _NMR_spec_expt.Name HNCACB _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_6 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_6 _NMR_spec_expt.Entry_ID 5814 _NMR_spec_expt.ID 6 _NMR_spec_expt.Name HCACO _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_7 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_7 _NMR_spec_expt.Entry_ID 5814 _NMR_spec_expt.ID 7 _NMR_spec_expt.Name HCCH-TOCSY _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_8 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_8 _NMR_spec_expt.Entry_ID 5814 _NMR_spec_expt.ID 8 _NMR_spec_expt.Name HCCONH _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_9 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_9 _NMR_spec_expt.Entry_ID 5814 _NMR_spec_expt.ID 9 _NMR_spec_expt.Name CCONH _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_10 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_10 _NMR_spec_expt.Entry_ID 5814 _NMR_spec_expt.ID 10 _NMR_spec_expt.Name '3D - HCCH NOESY' _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_11 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_11 _NMR_spec_expt.Entry_ID 5814 _NMR_spec_expt.ID 11 _NMR_spec_expt.Name '3D - 1H-15N NOESY' _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_12 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_12 _NMR_spec_expt.Entry_ID 5814 _NMR_spec_expt.ID 12 _NMR_spec_expt.Name '13C-1H CT-HSQC' _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chemical_shift_reference _Chem_shift_reference.Entry_ID 5814 _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 0.0 . indirect 0.251449530 . . . . . . . . . 5814 1 H 1 DSS 'methyl protons' . . . . ppm 0.0 internal direct 1.0 . . . . . . . . . 5814 1 N 15 DSS 'methyl protons' . . . . ppm 0.0 . indirect 0.101329118 . . . . . . . . . 5814 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_shift_set_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode shift_set_1 _Assigned_chem_shift_list.Entry_ID 5814 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $cond-1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference _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 $sample_1 . 5814 1 . . 2 $sample_2 . 5814 1 . . 3 $sample_3 . 5814 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 LYS H H 1 7.96 0.03 . 1 . . . . . . . . 5814 1 2 . 1 1 1 1 LYS N N 15 121.15 0.25 . 1 . . . . . . . . 5814 1 3 . 1 1 1 1 LYS CA C 13 56.53 0.50 . 1 . . . . . . . . 5814 1 4 . 1 1 1 1 LYS HA H 1 4.30 0.03 . 1 . . . . . . . . 5814 1 5 . 1 1 1 1 LYS C C 13 176.34 0.50 . 1 . . . . . . . . 5814 1 6 . 1 1 1 1 LYS CB C 13 33.27 0.50 . 1 . . . . . . . . 5814 1 7 . 1 1 1 1 LYS HB2 H 1 1.73 0.03 . 2 . . . . . . . . 5814 1 8 . 1 1 1 1 LYS HB3 H 1 1.85 0.03 . 2 . . . . . . . . 5814 1 9 . 1 1 1 1 LYS CG C 13 24.84 0.50 . 1 . . . . . . . . 5814 1 10 . 1 1 1 1 LYS HG2 H 1 1.42 0.03 . 2 . . . . . . . . 5814 1 11 . 1 1 1 1 LYS CD C 13 29.30 0.50 . 1 . . . . . . . . 5814 1 12 . 1 1 1 1 LYS CE C 13 42.24 0.50 . 1 . . . . . . . . 5814 1 13 . 1 1 1 1 LYS HE2 H 1 3.00 0.03 . 2 . . . . . . . . 5814 1 14 . 1 1 2 2 ASN H H 1 8.38 0.03 . 1 . . . . . . . . 5814 1 15 . 1 1 2 2 ASN N N 15 119.26 0.25 . 1 . . . . . . . . 5814 1 16 . 1 1 2 2 ASN CA C 13 53.34 0.50 . 1 . . . . . . . . 5814 1 17 . 1 1 2 2 ASN HA H 1 4.54 0.03 . 1 . . . . . . . . 5814 1 18 . 1 1 2 2 ASN C C 13 174.24 0.50 . 1 . . . . . . . . 5814 1 19 . 1 1 2 2 ASN CB C 13 39.06 0.50 . 1 . . . . . . . . 5814 1 20 . 1 1 2 2 ASN HB2 H 1 2.68 0.03 . 2 . . . . . . . . 5814 1 21 . 1 1 2 2 ASN HB3 H 1 2.74 0.03 . 2 . . . . . . . . 5814 1 22 . 1 1 3 3 LYS H H 1 7.79 0.03 . 1 . . . . . . . . 5814 1 23 . 1 1 3 3 LYS N N 15 119.77 0.25 . 1 . . . . . . . . 5814 1 24 . 1 1 3 3 LYS CA C 13 56.17 0.50 . 1 . . . . . . . . 5814 1 25 . 1 1 3 3 LYS HA H 1 4.27 0.03 . 1 . . . . . . . . 5814 1 26 . 1 1 3 3 LYS C C 13 176.00 0.50 . 1 . . . . . . . . 5814 1 27 . 1 1 3 3 LYS CB C 13 34.31 0.50 . 1 . . . . . . . . 5814 1 28 . 1 1 3 3 LYS HB2 H 1 1.55 0.03 . 2 . . . . . . . . 5814 1 29 . 1 1 3 3 LYS CG C 13 24.86 0.50 . 1 . . . . . . . . 5814 1 30 . 1 1 3 3 LYS HG2 H 1 1.19 0.03 . 2 . . . . . . . . 5814 1 31 . 1 1 3 3 LYS HG3 H 1 1.28 0.03 . 2 . . . . . . . . 5814 1 32 . 1 1 3 3 LYS CD C 13 29.16 0.50 . 1 . . . . . . . . 5814 1 33 . 1 1 3 3 LYS HD2 H 1 1.64 0.03 . 2 . . . . . . . . 5814 1 34 . 1 1 3 3 LYS CE C 13 42.47 0.50 . 1 . . . . . . . . 5814 1 35 . 1 1 3 3 LYS HE2 H 1 2.96 0.03 . 2 . . . . . . . . 5814 1 36 . 1 1 4 4 PHE H H 1 8.82 0.03 . 1 . . . . . . . . 5814 1 37 . 1 1 4 4 PHE N N 15 121.41 0.25 . 1 . . . . . . . . 5814 1 38 . 1 1 4 4 PHE CA C 13 58.45 0.50 . 1 . . . . . . . . 5814 1 39 . 1 1 4 4 PHE HA H 1 4.90 0.03 . 1 . . . . . . . . 5814 1 40 . 1 1 4 4 PHE C C 13 176.82 0.50 . 1 . . . . . . . . 5814 1 41 . 1 1 4 4 PHE CB C 13 38.35 0.50 . 1 . . . . . . . . 5814 1 42 . 1 1 4 4 PHE HB2 H 1 3.22 0.03 . 2 . . . . . . . . 5814 1 43 . 1 1 4 4 PHE HB3 H 1 3.81 0.03 . 2 . . . . . . . . 5814 1 44 . 1 1 4 4 PHE CD1 C 13 132.56 0.50 . 2 . . . . . . . . 5814 1 45 . 1 1 4 4 PHE HD1 H 1 7.33 0.03 . 2 . . . . . . . . 5814 1 46 . 1 1 5 5 GLY H H 1 9.19 0.03 . 1 . . . . . . . . 5814 1 47 . 1 1 5 5 GLY N N 15 110.84 0.25 . 1 . . . . . . . . 5814 1 48 . 1 1 5 5 GLY CA C 13 44.96 0.50 . 1 . . . . . . . . 5814 1 49 . 1 1 5 5 GLY HA2 H 1 3.86 0.03 . 2 . . . . . . . . 5814 1 50 . 1 1 5 5 GLY HA3 H 1 4.50 0.03 . 2 . . . . . . . . 5814 1 51 . 1 1 5 5 GLY C C 13 172.72 0.50 . 1 . . . . . . . . 5814 1 52 . 1 1 6 6 GLU H H 1 7.75 0.03 . 1 . . . . . . . . 5814 1 53 . 1 1 6 6 GLU N N 15 116.42 0.25 . 1 . . . . . . . . 5814 1 54 . 1 1 6 6 GLU CA C 13 54.29 0.50 . 1 . . . . . . . . 5814 1 55 . 1 1 6 6 GLU HA H 1 4.67 0.03 . 1 . . . . . . . . 5814 1 56 . 1 1 6 6 GLU C C 13 175.91 0.50 . 1 . . . . . . . . 5814 1 57 . 1 1 6 6 GLU CB C 13 33.36 0.50 . 1 . . . . . . . . 5814 1 58 . 1 1 6 6 GLU HB2 H 1 1.89 0.03 . 2 . . . . . . . . 5814 1 59 . 1 1 6 6 GLU HB3 H 1 1.99 0.03 . 2 . . . . . . . . 5814 1 60 . 1 1 6 6 GLU CG C 13 36.19 0.50 . 1 . . . . . . . . 5814 1 61 . 1 1 6 6 GLU HG2 H 1 2.22 0.03 . 2 . . . . . . . . 5814 1 62 . 1 1 6 6 GLU HG3 H 1 2.26 0.03 . 2 . . . . . . . . 5814 1 63 . 1 1 7 7 VAL H H 1 8.94 0.03 . 1 . . . . . . . . 5814 1 64 . 1 1 7 7 VAL N N 15 124.94 0.25 . 1 . . . . . . . . 5814 1 65 . 1 1 7 7 VAL CA C 13 62.90 0.50 . 1 . . . . . . . . 5814 1 66 . 1 1 7 7 VAL HA H 1 4.11 0.03 . 1 . . . . . . . . 5814 1 67 . 1 1 7 7 VAL C C 13 175.72 0.50 . 1 . . . . . . . . 5814 1 68 . 1 1 7 7 VAL CB C 13 31.72 0.50 . 1 . . . . . . . . 5814 1 69 . 1 1 7 7 VAL HB H 1 1.85 0.03 . 1 . . . . . . . . 5814 1 70 . 1 1 7 7 VAL CG1 C 13 21.13 0.50 . 1 . . . . . . . . 5814 1 71 . 1 1 7 7 VAL HG11 H 1 0.78 0.03 . 1 . . . . . . . . 5814 1 72 . 1 1 7 7 VAL HG12 H 1 0.78 0.03 . 1 . . . . . . . . 5814 1 73 . 1 1 7 7 VAL HG13 H 1 0.78 0.03 . 1 . . . . . . . . 5814 1 74 . 1 1 7 7 VAL CG2 C 13 22.56 0.50 . 1 . . . . . . . . 5814 1 75 . 1 1 7 7 VAL HG21 H 1 0.76 0.03 . 1 . . . . . . . . 5814 1 76 . 1 1 7 7 VAL HG22 H 1 0.76 0.03 . 1 . . . . . . . . 5814 1 77 . 1 1 7 7 VAL HG23 H 1 0.76 0.03 . 1 . . . . . . . . 5814 1 78 . 1 1 8 8 LEU H H 1 8.82 0.03 . 1 . . . . . . . . 5814 1 79 . 1 1 8 8 LEU N N 15 131.65 0.25 . 1 . . . . . . . . 5814 1 80 . 1 1 8 8 LEU CA C 13 54.57 0.50 . 1 . . . . . . . . 5814 1 81 . 1 1 8 8 LEU HA H 1 4.57 0.03 . 1 . . . . . . . . 5814 1 82 . 1 1 8 8 LEU C C 13 175.25 0.50 . 1 . . . . . . . . 5814 1 83 . 1 1 8 8 LEU CB C 13 44.08 0.50 . 1 . . . . . . . . 5814 1 84 . 1 1 8 8 LEU HB2 H 1 1.63 0.03 . 2 . . . . . . . . 5814 1 85 . 1 1 8 8 LEU HB3 H 1 1.75 0.03 . 2 . . . . . . . . 5814 1 86 . 1 1 8 8 LEU CG C 13 27.46 0.50 . 1 . . . . . . . . 5814 1 87 . 1 1 8 8 LEU CD1 C 13 25.03 0.50 . 1 . . . . . . . . 5814 1 88 . 1 1 8 8 LEU HD11 H 1 1.04 0.03 . 1 . . . . . . . . 5814 1 89 . 1 1 8 8 LEU HD12 H 1 1.04 0.03 . 1 . . . . . . . . 5814 1 90 . 1 1 8 8 LEU HD13 H 1 1.04 0.03 . 1 . . . . . . . . 5814 1 91 . 1 1 8 8 LEU CD2 C 13 24.84 0.50 . 1 . . . . . . . . 5814 1 92 . 1 1 8 8 LEU HD21 H 1 0.90 0.03 . 1 . . . . . . . . 5814 1 93 . 1 1 8 8 LEU HD22 H 1 0.90 0.03 . 1 . . . . . . . . 5814 1 94 . 1 1 8 8 LEU HD23 H 1 0.90 0.03 . 1 . . . . . . . . 5814 1 95 . 1 1 8 8 LEU HG H 1 1.02 0.03 . 1 . . . . . . . . 5814 1 96 . 1 1 9 9 GLU H H 1 8.54 0.03 . 1 . . . . . . . . 5814 1 97 . 1 1 9 9 GLU N N 15 123.79 0.25 . 1 . . . . . . . . 5814 1 98 . 1 1 9 9 GLU CA C 13 55.11 0.50 . 1 . . . . . . . . 5814 1 99 . 1 1 9 9 GLU HA H 1 5.43 0.03 . 1 . . . . . . . . 5814 1 100 . 1 1 9 9 GLU C C 13 176.93 0.50 . 1 . . . . . . . . 5814 1 101 . 1 1 9 9 GLU CB C 13 30.82 0.50 . 1 . . . . . . . . 5814 1 102 . 1 1 9 9 GLU HB2 H 1 1.79 0.03 . 2 . . . . . . . . 5814 1 103 . 1 1 9 9 GLU HB3 H 1 2.02 0.03 . 2 . . . . . . . . 5814 1 104 . 1 1 9 9 GLU CG C 13 36.12 0.50 . 1 . . . . . . . . 5814 1 105 . 1 1 9 9 GLU HG2 H 1 2.27 0.03 . 2 . . . . . . . . 5814 1 106 . 1 1 9 9 GLU HG3 H 1 2.38 0.03 . 2 . . . . . . . . 5814 1 107 . 1 1 10 10 ILE H H 1 7.96 0.03 . 1 . . . . . . . . 5814 1 108 . 1 1 10 10 ILE N N 15 117.68 0.25 . 1 . . . . . . . . 5814 1 109 . 1 1 10 10 ILE CA C 13 59.22 0.50 . 1 . . . . . . . . 5814 1 110 . 1 1 10 10 ILE HA H 1 4.93 0.03 . 1 . . . . . . . . 5814 1 111 . 1 1 10 10 ILE C C 13 175.01 0.50 . 1 . . . . . . . . 5814 1 112 . 1 1 10 10 ILE CB C 13 41.45 0.50 . 1 . . . . . . . . 5814 1 113 . 1 1 10 10 ILE HB H 1 2.22 0.03 . 1 . . . . . . . . 5814 1 114 . 1 1 10 10 ILE CG2 C 13 16.89 0.50 . 1 . . . . . . . . 5814 1 115 . 1 1 10 10 ILE HG21 H 1 0.78 0.03 . 1 . . . . . . . . 5814 1 116 . 1 1 10 10 ILE HG22 H 1 0.78 0.03 . 1 . . . . . . . . 5814 1 117 . 1 1 10 10 ILE HG23 H 1 0.78 0.03 . 1 . . . . . . . . 5814 1 118 . 1 1 10 10 ILE CG1 C 13 25.27 0.50 . 1 . . . . . . . . 5814 1 119 . 1 1 10 10 ILE HG12 H 1 0.82 0.03 . 2 . . . . . . . . 5814 1 120 . 1 1 10 10 ILE HG13 H 1 1.16 0.03 . 2 . . . . . . . . 5814 1 121 . 1 1 10 10 ILE CD1 C 13 14.65 0.50 . 1 . . . . . . . . 5814 1 122 . 1 1 10 10 ILE HD11 H 1 0.64 0.03 . 1 . . . . . . . . 5814 1 123 . 1 1 10 10 ILE HD12 H 1 0.64 0.03 . 1 . . . . . . . . 5814 1 124 . 1 1 10 10 ILE HD13 H 1 0.64 0.03 . 1 . . . . . . . . 5814 1 125 . 1 1 11 11 SER H H 1 8.75 0.03 . 1 . . . . . . . . 5814 1 126 . 1 1 11 11 SER N N 15 115.05 0.25 . 1 . . . . . . . . 5814 1 127 . 1 1 11 11 SER CA C 13 57.34 0.50 . 1 . . . . . . . . 5814 1 128 . 1 1 11 11 SER HA H 1 4.72 0.03 . 1 . . . . . . . . 5814 1 129 . 1 1 11 11 SER C C 13 176.00 0.50 . 1 . . . . . . . . 5814 1 130 . 1 1 11 11 SER CB C 13 65.30 0.50 . 1 . . . . . . . . 5814 1 131 . 1 1 11 11 SER HB2 H 1 4.03 0.03 . 2 . . . . . . . . 5814 1 132 . 1 1 11 11 SER HB3 H 1 3.93 0.03 . 2 . . . . . . . . 5814 1 133 . 1 1 12 12 GLY H H 1 8.06 0.03 . 1 . . . . . . . . 5814 1 134 . 1 1 12 12 GLY N N 15 108.92 0.25 . 1 . . . . . . . . 5814 1 135 . 1 1 12 12 GLY CA C 13 48.37 0.50 . 1 . . . . . . . . 5814 1 136 . 1 1 12 12 GLY HA2 H 1 4.13 0.03 . 2 . . . . . . . . 5814 1 137 . 1 1 12 12 GLY HA3 H 1 4.49 0.03 . 2 . . . . . . . . 5814 1 138 . 1 1 13 13 LYS CA C 13 58.27 0.50 . 1 . . . . . . . . 5814 1 139 . 1 1 13 13 LYS HA H 1 4.29 0.03 . 1 . . . . . . . . 5814 1 140 . 1 1 13 13 LYS C C 13 177.14 0.50 . 1 . . . . . . . . 5814 1 141 . 1 1 13 13 LYS CB C 13 32.00 0.50 . 1 . . . . . . . . 5814 1 142 . 1 1 13 13 LYS HB2 H 1 1.84 0.03 . 2 . . . . . . . . 5814 1 143 . 1 1 13 13 LYS CG C 13 24.19 0.50 . 1 . . . . . . . . 5814 1 144 . 1 1 13 13 LYS HG2 H 1 1.42 0.03 . 2 . . . . . . . . 5814 1 145 . 1 1 13 13 LYS CD C 13 29.40 0.50 . 1 . . . . . . . . 5814 1 146 . 1 1 13 13 LYS HD2 H 1 1.69 0.03 . 2 . . . . . . . . 5814 1 147 . 1 1 13 13 LYS CE C 13 42.43 0.50 . 1 . . . . . . . . 5814 1 148 . 1 1 13 13 LYS HE2 H 1 3.03 0.03 . 2 . . . . . . . . 5814 1 149 . 1 1 14 14 ASP H H 1 7.90 0.03 . 1 . . . . . . . . 5814 1 150 . 1 1 14 14 ASP N N 15 117.50 0.25 . 1 . . . . . . . . 5814 1 151 . 1 1 14 14 ASP CA C 13 54.32 0.50 . 1 . . . . . . . . 5814 1 152 . 1 1 14 14 ASP HA H 1 5.00 0.03 . 1 . . . . . . . . 5814 1 153 . 1 1 14 14 ASP C C 13 175.81 0.50 . 1 . . . . . . . . 5814 1 154 . 1 1 14 14 ASP CB C 13 42.34 0.50 . 1 . . . . . . . . 5814 1 155 . 1 1 14 14 ASP HB2 H 1 2.73 0.03 . 2 . . . . . . . . 5814 1 156 . 1 1 14 14 ASP HB3 H 1 2.97 0.03 . 2 . . . . . . . . 5814 1 157 . 1 1 15 15 TYR H H 1 7.60 0.03 . 1 . . . . . . . . 5814 1 158 . 1 1 15 15 TYR N N 15 121.07 0.25 . 1 . . . . . . . . 5814 1 159 . 1 1 15 15 TYR CA C 13 62.48 0.50 . 1 . . . . . . . . 5814 1 160 . 1 1 15 15 TYR HA H 1 3.70 0.03 . 1 . . . . . . . . 5814 1 161 . 1 1 15 15 TYR C C 13 176.69 0.50 . 1 . . . . . . . . 5814 1 162 . 1 1 15 15 TYR CB C 13 39.67 0.50 . 1 . . . . . . . . 5814 1 163 . 1 1 15 15 TYR HB3 H 1 3.12 0.03 . 2 . . . . . . . . 5814 1 164 . 1 1 15 15 TYR CD1 C 13 132.86 0.50 . 2 . . . . . . . . 5814 1 165 . 1 1 15 15 TYR HD1 H 1 6.87 0.03 . 2 . . . . . . . . 5814 1 166 . 1 1 15 15 TYR CE1 C 13 117.77 0.50 . 2 . . . . . . . . 5814 1 167 . 1 1 15 15 TYR HE1 H 1 6.59 0.03 . 2 . . . . . . . . 5814 1 168 . 1 1 16 16 VAL H H 1 8.47 0.03 . 1 . . . . . . . . 5814 1 169 . 1 1 16 16 VAL N N 15 119.28 0.25 . 1 . . . . . . . . 5814 1 170 . 1 1 16 16 VAL CA C 13 66.67 0.50 . 1 . . . . . . . . 5814 1 171 . 1 1 16 16 VAL HA H 1 3.47 0.03 . 1 . . . . . . . . 5814 1 172 . 1 1 16 16 VAL C C 13 178.15 0.50 . 1 . . . . . . . . 5814 1 173 . 1 1 16 16 VAL CB C 13 31.16 0.50 . 1 . . . . . . . . 5814 1 174 . 1 1 16 16 VAL HB H 1 2.01 0.03 . 1 . . . . . . . . 5814 1 175 . 1 1 16 16 VAL CG1 C 13 21.15 0.50 . 1 . . . . . . . . 5814 1 176 . 1 1 16 16 VAL HG11 H 1 0.81 0.03 . 1 . . . . . . . . 5814 1 177 . 1 1 16 16 VAL HG12 H 1 0.81 0.03 . 1 . . . . . . . . 5814 1 178 . 1 1 16 16 VAL HG13 H 1 0.81 0.03 . 1 . . . . . . . . 5814 1 179 . 1 1 16 16 VAL CG2 C 13 23.05 0.50 . 1 . . . . . . . . 5814 1 180 . 1 1 16 16 VAL HG21 H 1 1.06 0.03 . 1 . . . . . . . . 5814 1 181 . 1 1 16 16 VAL HG22 H 1 1.06 0.03 . 1 . . . . . . . . 5814 1 182 . 1 1 16 16 VAL HG23 H 1 1.06 0.03 . 1 . . . . . . . . 5814 1 183 . 1 1 17 17 GLN H H 1 8.12 0.03 . 1 . . . . . . . . 5814 1 184 . 1 1 17 17 GLN N N 15 117.58 0.25 . 1 . . . . . . . . 5814 1 185 . 1 1 17 17 GLN CA C 13 58.92 0.50 . 1 . . . . . . . . 5814 1 186 . 1 1 17 17 GLN HA H 1 3.78 0.03 . 1 . . . . . . . . 5814 1 187 . 1 1 17 17 GLN C C 13 177.50 0.50 . 1 . . . . . . . . 5814 1 188 . 1 1 17 17 GLN CB C 13 29.37 0.50 . 1 . . . . . . . . 5814 1 189 . 1 1 17 17 GLN HB2 H 1 1.93 0.03 . 2 . . . . . . . . 5814 1 190 . 1 1 17 17 GLN HB3 H 1 2.12 0.03 . 2 . . . . . . . . 5814 1 191 . 1 1 17 17 GLN CG C 13 33.80 0.50 . 1 . . . . . . . . 5814 1 192 . 1 1 17 17 GLN HG2 H 1 2.22 0.03 . 2 . . . . . . . . 5814 1 193 . 1 1 17 17 GLN HG3 H 1 2.33 0.03 . 2 . . . . . . . . 5814 1 194 . 1 1 18 18 GLU H H 1 8.08 0.03 . 1 . . . . . . . . 5814 1 195 . 1 1 18 18 GLU N N 15 110.75 0.25 . 1 . . . . . . . . 5814 1 196 . 1 1 18 18 GLU CA C 13 56.76 0.50 . 1 . . . . . . . . 5814 1 197 . 1 1 18 18 GLU HA H 1 4.08 0.03 . 1 . . . . . . . . 5814 1 198 . 1 1 18 18 GLU C C 13 177.58 0.50 . 1 . . . . . . . . 5814 1 199 . 1 1 18 18 GLU CB C 13 30.38 0.50 . 1 . . . . . . . . 5814 1 200 . 1 1 18 18 GLU HB2 H 1 1.68 0.03 . 2 . . . . . . . . 5814 1 201 . 1 1 18 18 GLU HB3 H 1 1.80 0.03 . 2 . . . . . . . . 5814 1 202 . 1 1 18 18 GLU CG C 13 35.73 0.50 . 1 . . . . . . . . 5814 1 203 . 1 1 18 18 GLU HG2 H 1 2.25 0.03 . 2 . . . . . . . . 5814 1 204 . 1 1 18 18 GLU HG3 H 1 2.37 0.03 . 2 . . . . . . . . 5814 1 205 . 1 1 19 19 VAL H H 1 7.85 0.03 . 1 . . . . . . . . 5814 1 206 . 1 1 19 19 VAL N N 15 115.25 0.25 . 1 . . . . . . . . 5814 1 207 . 1 1 19 19 VAL CA C 13 63.92 0.50 . 1 . . . . . . . . 5814 1 208 . 1 1 19 19 VAL HA H 1 3.73 0.03 . 1 . . . . . . . . 5814 1 209 . 1 1 19 19 VAL C C 13 176.67 0.50 . 1 . . . . . . . . 5814 1 210 . 1 1 19 19 VAL CB C 13 31.29 0.50 . 1 . . . . . . . . 5814 1 211 . 1 1 19 19 VAL HB H 1 1.25 0.03 . 1 . . . . . . . . 5814 1 212 . 1 1 19 19 VAL CG1 C 13 20.16 0.50 . 1 . . . . . . . . 5814 1 213 . 1 1 19 19 VAL HG11 H 1 -0.28 0.03 . 1 . . . . . . . . 5814 1 214 . 1 1 19 19 VAL HG12 H 1 -0.28 0.03 . 1 . . . . . . . . 5814 1 215 . 1 1 19 19 VAL HG13 H 1 -0.28 0.03 . 1 . . . . . . . . 5814 1 216 . 1 1 19 19 VAL CG2 C 13 21.61 0.50 . 1 . . . . . . . . 5814 1 217 . 1 1 19 19 VAL HG21 H 1 0.36 0.03 . 1 . . . . . . . . 5814 1 218 . 1 1 19 19 VAL HG22 H 1 0.36 0.03 . 1 . . . . . . . . 5814 1 219 . 1 1 19 19 VAL HG23 H 1 0.36 0.03 . 1 . . . . . . . . 5814 1 220 . 1 1 20 20 THR H H 1 7.04 0.03 . 1 . . . . . . . . 5814 1 221 . 1 1 20 20 THR N N 15 112.04 0.25 . 1 . . . . . . . . 5814 1 222 . 1 1 20 20 THR CA C 13 66.01 0.50 . 1 . . . . . . . . 5814 1 223 . 1 1 20 20 THR HA H 1 3.63 0.03 . 1 . . . . . . . . 5814 1 224 . 1 1 20 20 THR C C 13 175.62 0.50 . 1 . . . . . . . . 5814 1 225 . 1 1 20 20 THR CB C 13 68.51 0.50 . 1 . . . . . . . . 5814 1 226 . 1 1 20 20 THR HB H 1 4.35 0.03 . 1 . . . . . . . . 5814 1 227 . 1 1 20 20 THR CG2 C 13 22.55 0.50 . 1 . . . . . . . . 5814 1 228 . 1 1 20 20 THR HG21 H 1 1.10 0.03 . 1 . . . . . . . . 5814 1 229 . 1 1 20 20 THR HG22 H 1 1.10 0.03 . 1 . . . . . . . . 5814 1 230 . 1 1 20 20 THR HG23 H 1 1.10 0.03 . 1 . . . . . . . . 5814 1 231 . 1 1 21 21 LYS H H 1 7.63 0.03 . 1 . . . . . . . . 5814 1 232 . 1 1 21 21 LYS N N 15 118.79 0.25 . 1 . . . . . . . . 5814 1 233 . 1 1 21 21 LYS CA C 13 54.44 0.50 . 1 . . . . . . . . 5814 1 234 . 1 1 21 21 LYS HA H 1 4.48 0.03 . 1 . . . . . . . . 5814 1 235 . 1 1 21 21 LYS C C 13 176.18 0.50 . 1 . . . . . . . . 5814 1 236 . 1 1 21 21 LYS CB C 13 30.71 0.50 . 1 . . . . . . . . 5814 1 237 . 1 1 21 21 LYS HB2 H 1 2.00 0.03 . 2 . . . . . . . . 5814 1 238 . 1 1 21 21 LYS HB3 H 1 1.77 0.03 . 2 . . . . . . . . 5814 1 239 . 1 1 21 21 LYS CG C 13 24.82 0.50 . 1 . . . . . . . . 5814 1 240 . 1 1 21 21 LYS HG2 H 1 1.42 0.03 . 2 . . . . . . . . 5814 1 241 . 1 1 21 21 LYS CD C 13 29.09 0.50 . 1 . . . . . . . . 5814 1 242 . 1 1 21 21 LYS HD2 H 1 1.65 0.03 . 2 . . . . . . . . 5814 1 243 . 1 1 21 21 LYS CE C 13 42.21 0.50 . 1 . . . . . . . . 5814 1 244 . 1 1 21 21 LYS HE2 H 1 2.95 0.03 . 2 . . . . . . . . 5814 1 245 . 1 1 22 22 ALA H H 1 6.59 0.03 . 1 . . . . . . . . 5814 1 246 . 1 1 22 22 ALA N N 15 120.31 0.25 . 1 . . . . . . . . 5814 1 247 . 1 1 22 22 ALA CA C 13 54.75 0.50 . 1 . . . . . . . . 5814 1 248 . 1 1 22 22 ALA HA H 1 3.88 0.03 . 1 . . . . . . . . 5814 1 249 . 1 1 22 22 ALA C C 13 178.55 0.50 . 1 . . . . . . . . 5814 1 250 . 1 1 22 22 ALA CB C 13 19.42 0.50 . 1 . . . . . . . . 5814 1 251 . 1 1 22 22 ALA HB1 H 1 1.33 0.03 . 1 . . . . . . . . 5814 1 252 . 1 1 22 22 ALA HB2 H 1 1.33 0.03 . 1 . . . . . . . . 5814 1 253 . 1 1 22 22 ALA HB3 H 1 1.33 0.03 . 1 . . . . . . . . 5814 1 254 . 1 1 23 23 GLY H H 1 8.32 0.03 . 1 . . . . . . . . 5814 1 255 . 1 1 23 23 GLY N N 15 102.75 0.25 . 1 . . . . . . . . 5814 1 256 . 1 1 23 23 GLY CA C 13 44.28 0.50 . 1 . . . . . . . . 5814 1 257 . 1 1 23 23 GLY HA2 H 1 3.62 0.03 . 2 . . . . . . . . 5814 1 258 . 1 1 23 23 GLY HA3 H 1 4.40 0.03 . 2 . . . . . . . . 5814 1 259 . 1 1 23 23 GLY C C 13 173.76 0.50 . 1 . . . . . . . . 5814 1 260 . 1 1 24 24 GLU H H 1 8.37 0.03 . 1 . . . . . . . . 5814 1 261 . 1 1 24 24 GLU N N 15 120.81 0.25 . 1 . . . . . . . . 5814 1 262 . 1 1 24 24 GLU CA C 13 57.81 0.50 . 1 . . . . . . . . 5814 1 263 . 1 1 24 24 GLU HA H 1 4.00 0.03 . 1 . . . . . . . . 5814 1 264 . 1 1 24 24 GLU C C 13 178.67 0.50 . 1 . . . . . . . . 5814 1 265 . 1 1 24 24 GLU CB C 13 29.74 0.50 . 1 . . . . . . . . 5814 1 266 . 1 1 24 24 GLU HB2 H 1 1.91 0.03 . 2 . . . . . . . . 5814 1 267 . 1 1 24 24 GLU CG C 13 36.53 0.50 . 1 . . . . . . . . 5814 1 268 . 1 1 24 24 GLU HG2 H 1 2.18 0.03 . 2 . . . . . . . . 5814 1 269 . 1 1 24 24 GLU HG3 H 1 2.27 0.03 . 2 . . . . . . . . 5814 1 270 . 1 1 25 25 GLY H H 1 10.10 0.03 . 1 . . . . . . . . 5814 1 271 . 1 1 25 25 GLY N N 15 113.28 0.25 . 1 . . . . . . . . 5814 1 272 . 1 1 25 25 GLY CA C 13 46.39 0.50 . 1 . . . . . . . . 5814 1 273 . 1 1 25 25 GLY HA2 H 1 3.56 0.03 . 2 . . . . . . . . 5814 1 274 . 1 1 25 25 GLY HA3 H 1 3.96 0.03 . 2 . . . . . . . . 5814 1 275 . 1 1 25 25 GLY C C 13 172.36 0.50 . 1 . . . . . . . . 5814 1 276 . 1 1 26 26 LEU H H 1 6.85 0.03 . 1 . . . . . . . . 5814 1 277 . 1 1 26 26 LEU N N 15 121.19 0.25 . 1 . . . . . . . . 5814 1 278 . 1 1 26 26 LEU CA C 13 53.80 0.50 . 1 . . . . . . . . 5814 1 279 . 1 1 26 26 LEU HA H 1 4.75 0.03 . 1 . . . . . . . . 5814 1 280 . 1 1 26 26 LEU C C 13 174.91 0.50 . 1 . . . . . . . . 5814 1 281 . 1 1 26 26 LEU CB C 13 43.59 0.50 . 1 . . . . . . . . 5814 1 282 . 1 1 26 26 LEU HB2 H 1 1.20 0.03 . 2 . . . . . . . . 5814 1 283 . 1 1 26 26 LEU HB3 H 1 1.56 0.03 . 2 . . . . . . . . 5814 1 284 . 1 1 26 26 LEU CD1 C 13 25.07 0.50 . 1 . . . . . . . . 5814 1 285 . 1 1 26 26 LEU HD11 H 1 1.18 0.03 . 1 . . . . . . . . 5814 1 286 . 1 1 26 26 LEU HD12 H 1 1.18 0.03 . 1 . . . . . . . . 5814 1 287 . 1 1 26 26 LEU HD13 H 1 1.18 0.03 . 1 . . . . . . . . 5814 1 288 . 1 1 26 26 LEU CD2 C 13 26.77 0.50 . 1 . . . . . . . . 5814 1 289 . 1 1 26 26 LEU HD21 H 1 0.96 0.03 . 1 . . . . . . . . 5814 1 290 . 1 1 26 26 LEU HD22 H 1 0.96 0.03 . 1 . . . . . . . . 5814 1 291 . 1 1 26 26 LEU HD23 H 1 0.96 0.03 . 1 . . . . . . . . 5814 1 292 . 1 1 27 27 TRP H H 1 8.91 0.03 . 1 . . . . . . . . 5814 1 293 . 1 1 27 27 TRP N N 15 129.93 0.25 . 1 . . . . . . . . 5814 1 294 . 1 1 27 27 TRP CA C 13 58.21 0.50 . 1 . . . . . . . . 5814 1 295 . 1 1 27 27 TRP HA H 1 4.82 0.03 . 1 . . . . . . . . 5814 1 296 . 1 1 27 27 TRP C C 13 175.01 0.50 . 1 . . . . . . . . 5814 1 297 . 1 1 27 27 TRP CB C 13 30.07 0.50 . 1 . . . . . . . . 5814 1 298 . 1 1 27 27 TRP HB2 H 1 2.81 0.03 . 2 . . . . . . . . 5814 1 299 . 1 1 27 27 TRP HB3 H 1 3.17 0.03 . 2 . . . . . . . . 5814 1 300 . 1 1 27 27 TRP CD1 C 13 126.99 0.50 . 1 . . . . . . . . 5814 1 301 . 1 1 27 27 TRP HD1 H 1 7.31 0.03 . 1 . . . . . . . . 5814 1 302 . 1 1 27 27 TRP NE1 N 15 128.53 0.25 . 1 . . . . . . . . 5814 1 303 . 1 1 27 27 TRP HE1 H 1 9.74 0.03 . 1 . . . . . . . . 5814 1 304 . 1 1 27 27 TRP CE3 C 13 120.22 0.50 . 1 . . . . . . . . 5814 1 305 . 1 1 27 27 TRP HE3 H 1 7.26 0.03 . 1 . . . . . . . . 5814 1 306 . 1 1 27 27 TRP CZ2 C 13 114.90 0.50 . 1 . . . . . . . . 5814 1 307 . 1 1 27 27 TRP HZ2 H 1 7.28 0.03 . 1 . . . . . . . . 5814 1 308 . 1 1 27 27 TRP CZ3 C 13 120.40 0.50 . 1 . . . . . . . . 5814 1 309 . 1 1 27 27 TRP HZ3 H 1 6.57 0.03 . 1 . . . . . . . . 5814 1 310 . 1 1 27 27 TRP CH2 C 13 123.80 0.50 . 1 . . . . . . . . 5814 1 311 . 1 1 27 27 TRP HH2 H 1 7.08 0.03 . 1 . . . . . . . . 5814 1 312 . 1 1 28 28 VAL H H 1 8.91 0.03 . 1 . . . . . . . . 5814 1 313 . 1 1 28 28 VAL N N 15 120.65 0.25 . 1 . . . . . . . . 5814 1 314 . 1 1 28 28 VAL CA C 13 60.15 0.50 . 1 . . . . . . . . 5814 1 315 . 1 1 28 28 VAL HA H 1 5.02 0.03 . 1 . . . . . . . . 5814 1 316 . 1 1 28 28 VAL C C 13 175.07 0.50 . 1 . . . . . . . . 5814 1 317 . 1 1 28 28 VAL CB C 13 35.33 0.50 . 1 . . . . . . . . 5814 1 318 . 1 1 28 28 VAL HB H 1 2.02 0.03 . 1 . . . . . . . . 5814 1 319 . 1 1 28 28 VAL CG1 C 13 22.17 0.50 . 1 . . . . . . . . 5814 1 320 . 1 1 28 28 VAL HG11 H 1 0.82 0.03 . 1 . . . . . . . . 5814 1 321 . 1 1 28 28 VAL HG12 H 1 0.82 0.03 . 1 . . . . . . . . 5814 1 322 . 1 1 28 28 VAL HG13 H 1 0.82 0.03 . 1 . . . . . . . . 5814 1 323 . 1 1 28 28 VAL CG2 C 13 21.81 0.50 . 1 . . . . . . . . 5814 1 324 . 1 1 28 28 VAL HG21 H 1 0.88 0.03 . 1 . . . . . . . . 5814 1 325 . 1 1 28 28 VAL HG22 H 1 0.88 0.03 . 1 . . . . . . . . 5814 1 326 . 1 1 28 28 VAL HG23 H 1 0.88 0.03 . 1 . . . . . . . . 5814 1 327 . 1 1 29 29 ILE H H 1 9.04 0.03 . 1 . . . . . . . . 5814 1 328 . 1 1 29 29 ILE N N 15 127.69 0.25 . 1 . . . . . . . . 5814 1 329 . 1 1 29 29 ILE CA C 13 60.17 0.50 . 1 . . . . . . . . 5814 1 330 . 1 1 29 29 ILE HA H 1 4.70 0.03 . 1 . . . . . . . . 5814 1 331 . 1 1 29 29 ILE C C 13 173.23 0.50 . 1 . . . . . . . . 5814 1 332 . 1 1 29 29 ILE CB C 13 38.78 0.50 . 1 . . . . . . . . 5814 1 333 . 1 1 29 29 ILE HB H 1 1.43 0.03 . 1 . . . . . . . . 5814 1 334 . 1 1 29 29 ILE CG2 C 13 17.94 0.50 . 1 . . . . . . . . 5814 1 335 . 1 1 29 29 ILE HG21 H 1 0.82 0.03 . 1 . . . . . . . . 5814 1 336 . 1 1 29 29 ILE HG22 H 1 0.82 0.03 . 1 . . . . . . . . 5814 1 337 . 1 1 29 29 ILE HG23 H 1 0.82 0.03 . 1 . . . . . . . . 5814 1 338 . 1 1 29 29 ILE CG1 C 13 27.82 0.50 . 1 . . . . . . . . 5814 1 339 . 1 1 29 29 ILE HG12 H 1 0.88 0.03 . 2 . . . . . . . . 5814 1 340 . 1 1 29 29 ILE HG13 H 1 1.04 0.03 . 2 . . . . . . . . 5814 1 341 . 1 1 29 29 ILE CD1 C 13 13.48 0.50 . 1 . . . . . . . . 5814 1 342 . 1 1 29 29 ILE HD11 H 1 0.36 0.03 . 1 . . . . . . . . 5814 1 343 . 1 1 29 29 ILE HD12 H 1 0.36 0.03 . 1 . . . . . . . . 5814 1 344 . 1 1 29 29 ILE HD13 H 1 0.36 0.03 . 1 . . . . . . . . 5814 1 345 . 1 1 30 30 LEU H H 1 9.35 0.03 . 1 . . . . . . . . 5814 1 346 . 1 1 30 30 LEU N N 15 128.39 0.25 . 1 . . . . . . . . 5814 1 347 . 1 1 30 30 LEU CA C 13 53.14 0.50 . 1 . . . . . . . . 5814 1 348 . 1 1 30 30 LEU HA H 1 5.49 0.03 . 1 . . . . . . . . 5814 1 349 . 1 1 30 30 LEU C C 13 174.26 0.50 . 1 . . . . . . . . 5814 1 350 . 1 1 30 30 LEU CB C 13 46.47 0.50 . 1 . . . . . . . . 5814 1 351 . 1 1 30 30 LEU HB2 H 1 1.20 0.03 . 2 . . . . . . . . 5814 1 352 . 1 1 30 30 LEU HB3 H 1 2.38 0.03 . 2 . . . . . . . . 5814 1 353 . 1 1 30 30 LEU CD1 C 13 24.81 0.50 . 1 . . . . . . . . 5814 1 354 . 1 1 30 30 LEU HD11 H 1 0.74 0.03 . 1 . . . . . . . . 5814 1 355 . 1 1 30 30 LEU HD12 H 1 0.74 0.03 . 1 . . . . . . . . 5814 1 356 . 1 1 30 30 LEU HD13 H 1 0.74 0.03 . 1 . . . . . . . . 5814 1 357 . 1 1 30 30 LEU CD2 C 13 27.50 0.50 . 1 . . . . . . . . 5814 1 358 . 1 1 30 30 LEU HD21 H 1 1.20 0.03 . 1 . . . . . . . . 5814 1 359 . 1 1 30 30 LEU HD22 H 1 1.20 0.03 . 1 . . . . . . . . 5814 1 360 . 1 1 30 30 LEU HD23 H 1 1.20 0.03 . 1 . . . . . . . . 5814 1 361 . 1 1 31 31 HIS H H 1 9.49 0.03 . 1 . . . . . . . . 5814 1 362 . 1 1 31 31 HIS N N 15 127.32 0.25 . 1 . . . . . . . . 5814 1 363 . 1 1 31 31 HIS CA C 13 52.58 0.50 . 1 . . . . . . . . 5814 1 364 . 1 1 31 31 HIS HA H 1 5.82 0.03 . 1 . . . . . . . . 5814 1 365 . 1 1 31 31 HIS C C 13 174.43 0.50 . 1 . . . . . . . . 5814 1 366 . 1 1 31 31 HIS CB C 13 32.18 0.50 . 1 . . . . . . . . 5814 1 367 . 1 1 31 31 HIS HB2 H 1 2.71 0.03 . 2 . . . . . . . . 5814 1 368 . 1 1 31 31 HIS HB3 H 1 3.19 0.03 . 2 . . . . . . . . 5814 1 369 . 1 1 31 31 HIS CD2 C 13 129.40 0.50 . 1 . . . . . . . . 5814 1 370 . 1 1 31 31 HIS HD2 H 1 6.92 0.03 . 1 . . . . . . . . 5814 1 371 . 1 1 31 31 HIS CE1 C 13 138.00 0.50 . 1 . . . . . . . . 5814 1 372 . 1 1 31 31 HIS HE1 H 1 7.60 0.03 . 1 . . . . . . . . 5814 1 373 . 1 1 32 32 LEU H H 1 9.14 0.03 . 1 . . . . . . . . 5814 1 374 . 1 1 32 32 LEU N N 15 127.89 0.25 . 1 . . . . . . . . 5814 1 375 . 1 1 32 32 LEU CA C 13 53.60 0.50 . 1 . . . . . . . . 5814 1 376 . 1 1 32 32 LEU HA H 1 5.28 0.03 . 1 . . . . . . . . 5814 1 377 . 1 1 32 32 LEU C C 13 174.33 0.50 . 1 . . . . . . . . 5814 1 378 . 1 1 32 32 LEU CB C 13 42.99 0.50 . 1 . . . . . . . . 5814 1 379 . 1 1 32 32 LEU HB2 H 1 1.56 0.03 . 1 . . . . . . . . 5814 1 380 . 1 1 32 32 LEU HB3 H 1 1.56 0.03 . 1 . . . . . . . . 5814 1 381 . 1 1 32 32 LEU CG C 13 27.30 0.50 . 1 . . . . . . . . 5814 1 382 . 1 1 32 32 LEU CD1 C 13 26.02 0.50 . 1 . . . . . . . . 5814 1 383 . 1 1 32 32 LEU HD11 H 1 0.45 0.03 . 1 . . . . . . . . 5814 1 384 . 1 1 32 32 LEU HD12 H 1 0.45 0.03 . 1 . . . . . . . . 5814 1 385 . 1 1 32 32 LEU HD13 H 1 0.45 0.03 . 1 . . . . . . . . 5814 1 386 . 1 1 32 32 LEU CD2 C 13 24.37 0.50 . 1 . . . . . . . . 5814 1 387 . 1 1 32 32 LEU HD21 H 1 0.73 0.03 . 1 . . . . . . . . 5814 1 388 . 1 1 32 32 LEU HD22 H 1 0.73 0.03 . 1 . . . . . . . . 5814 1 389 . 1 1 32 32 LEU HD23 H 1 0.73 0.03 . 1 . . . . . . . . 5814 1 390 . 1 1 32 32 LEU HG H 1 1.48 0.03 . 1 . . . . . . . . 5814 1 391 . 1 1 33 33 TYR H H 1 8.37 0.03 . 1 . . . . . . . . 5814 1 392 . 1 1 33 33 TYR N N 15 118.23 0.25 . 1 . . . . . . . . 5814 1 393 . 1 1 33 33 TYR CA C 13 54.90 0.50 . 1 . . . . . . . . 5814 1 394 . 1 1 33 33 TYR HA H 1 5.25 0.03 . 1 . . . . . . . . 5814 1 395 . 1 1 33 33 TYR C C 13 172.95 0.50 . 1 . . . . . . . . 5814 1 396 . 1 1 33 33 TYR CB C 13 44.23 0.50 . 1 . . . . . . . . 5814 1 397 . 1 1 33 33 TYR HB2 H 1 1.54 0.03 . 2 . . . . . . . . 5814 1 398 . 1 1 33 33 TYR HB3 H 1 2.75 0.03 . 2 . . . . . . . . 5814 1 399 . 1 1 33 33 TYR CD1 C 13 133.11 0.50 . 2 . . . . . . . . 5814 1 400 . 1 1 33 33 TYR HD1 H 1 6.69 0.03 . 2 . . . . . . . . 5814 1 401 . 1 1 33 33 TYR CE1 C 13 117.90 0.50 . 2 . . . . . . . . 5814 1 402 . 1 1 33 33 TYR HE1 H 1 6.48 0.03 . 2 . . . . . . . . 5814 1 403 . 1 1 34 34 LYS H H 1 6.89 0.03 . 1 . . . . . . . . 5814 1 404 . 1 1 34 34 LYS N N 15 115.98 0.25 . 1 . . . . . . . . 5814 1 405 . 1 1 34 34 LYS CA C 13 56.34 0.50 . 1 . . . . . . . . 5814 1 406 . 1 1 34 34 LYS HA H 1 4.13 0.03 . 1 . . . . . . . . 5814 1 407 . 1 1 34 34 LYS C C 13 177.08 0.50 . 1 . . . . . . . . 5814 1 408 . 1 1 34 34 LYS CB C 13 38.37 0.50 . 1 . . . . . . . . 5814 1 409 . 1 1 34 34 LYS HB2 H 1 1.51 0.03 . 2 . . . . . . . . 5814 1 410 . 1 1 34 34 LYS HB3 H 1 1.83 0.03 . 2 . . . . . . . . 5814 1 411 . 1 1 34 34 LYS CG C 13 26.71 0.50 . 1 . . . . . . . . 5814 1 412 . 1 1 34 34 LYS HG2 H 1 1.65 0.03 . 2 . . . . . . . . 5814 1 413 . 1 1 34 34 LYS CD C 13 30.40 0.50 . 1 . . . . . . . . 5814 1 414 . 1 1 34 34 LYS HD2 H 1 1.63 0.03 . 2 . . . . . . . . 5814 1 415 . 1 1 34 34 LYS HE2 H 1 2.96 0.03 . 2 . . . . . . . . 5814 1 416 . 1 1 35 35 GLN H H 1 8.88 0.03 . 1 . . . . . . . . 5814 1 417 . 1 1 35 35 GLN N N 15 121.65 0.25 . 1 . . . . . . . . 5814 1 418 . 1 1 35 35 GLN CA C 13 57.66 0.50 . 1 . . . . . . . . 5814 1 419 . 1 1 35 35 GLN CB C 13 28.57 0.50 . 1 . . . . . . . . 5814 1 420 . 1 1 36 36 GLY CA C 13 45.46 0.50 . 1 . . . . . . . . 5814 1 421 . 1 1 36 36 GLY HA2 H 1 3.81 0.03 . 2 . . . . . . . . 5814 1 422 . 1 1 36 36 GLY HA3 H 1 4.07 0.03 . 2 . . . . . . . . 5814 1 423 . 1 1 36 36 GLY C C 13 173.86 0.50 . 1 . . . . . . . . 5814 1 424 . 1 1 37 37 ILE H H 1 6.92 0.03 . 1 . . . . . . . . 5814 1 425 . 1 1 37 37 ILE N N 15 119.57 0.25 . 1 . . . . . . . . 5814 1 426 . 1 1 37 37 ILE CA C 13 58.16 0.50 . 1 . . . . . . . . 5814 1 427 . 1 1 37 37 ILE HA H 1 4.68 0.03 . 1 . . . . . . . . 5814 1 428 . 1 1 37 37 ILE CB C 13 39.15 0.50 . 1 . . . . . . . . 5814 1 429 . 1 1 37 37 ILE HB H 1 1.86 0.03 . 1 . . . . . . . . 5814 1 430 . 1 1 37 37 ILE CG2 C 13 17.35 0.50 . 1 . . . . . . . . 5814 1 431 . 1 1 37 37 ILE HG21 H 1 1.06 0.03 . 1 . . . . . . . . 5814 1 432 . 1 1 37 37 ILE HG22 H 1 1.06 0.03 . 1 . . . . . . . . 5814 1 433 . 1 1 37 37 ILE HG23 H 1 1.06 0.03 . 1 . . . . . . . . 5814 1 434 . 1 1 37 37 ILE HG12 H 1 1.16 0.03 . 2 . . . . . . . . 5814 1 435 . 1 1 37 37 ILE HG13 H 1 1.48 0.03 . 2 . . . . . . . . 5814 1 436 . 1 1 37 37 ILE CD1 C 13 14.39 0.50 . 1 . . . . . . . . 5814 1 437 . 1 1 37 37 ILE HD11 H 1 0.96 0.03 . 1 . . . . . . . . 5814 1 438 . 1 1 37 37 ILE HD12 H 1 0.96 0.03 . 1 . . . . . . . . 5814 1 439 . 1 1 37 37 ILE HD13 H 1 0.96 0.03 . 1 . . . . . . . . 5814 1 440 . 1 1 38 38 PRO CD C 13 50.12 0.50 . 1 . . . . . . . . 5814 1 441 . 1 1 38 38 PRO HD2 H 1 4.03 0.03 . 2 . . . . . . . . 5814 1 442 . 1 1 38 38 PRO HD3 H 1 4.27 0.03 . 2 . . . . . . . . 5814 1 443 . 1 1 39 39 LEU CA C 13 57.99 0.50 . 1 . . . . . . . . 5814 1 444 . 1 1 39 39 LEU HA H 1 4.18 0.03 . 1 . . . . . . . . 5814 1 445 . 1 1 39 39 LEU C C 13 179.44 0.50 . 1 . . . . . . . . 5814 1 446 . 1 1 39 39 LEU CB C 13 42.16 0.50 . 1 . . . . . . . . 5814 1 447 . 1 1 39 39 LEU HB2 H 1 1.52 0.03 . 2 . . . . . . . . 5814 1 448 . 1 1 39 39 LEU CD1 C 13 23.94 0.50 . 1 . . . . . . . . 5814 1 449 . 1 1 39 39 LEU HD11 H 1 0.91 0.03 . 1 . . . . . . . . 5814 1 450 . 1 1 39 39 LEU HD12 H 1 0.91 0.03 . 1 . . . . . . . . 5814 1 451 . 1 1 39 39 LEU HD13 H 1 0.91 0.03 . 1 . . . . . . . . 5814 1 452 . 1 1 39 39 LEU CD2 C 13 26.68 0.50 . 1 . . . . . . . . 5814 1 453 . 1 1 39 39 LEU HD21 H 1 0.98 0.03 . 1 . . . . . . . . 5814 1 454 . 1 1 39 39 LEU HD22 H 1 0.98 0.03 . 1 . . . . . . . . 5814 1 455 . 1 1 39 39 LEU HD23 H 1 0.98 0.03 . 1 . . . . . . . . 5814 1 456 . 1 1 40 40 CYS H H 1 7.44 0.03 . 1 . . . . . . . . 5814 1 457 . 1 1 40 40 CYS N N 15 114.33 0.25 . 1 . . . . . . . . 5814 1 458 . 1 1 40 40 CYS CA C 13 63.87 0.50 . 1 . . . . . . . . 5814 1 459 . 1 1 40 40 CYS HA H 1 4.21 0.03 . 1 . . . . . . . . 5814 1 460 . 1 1 40 40 CYS C C 13 176.52 0.50 . 1 . . . . . . . . 5814 1 461 . 1 1 40 40 CYS CB C 13 29.91 0.50 . 1 . . . . . . . . 5814 1 462 . 1 1 40 40 CYS HB2 H 1 3.25 0.03 . 2 . . . . . . . . 5814 1 463 . 1 1 40 40 CYS HB3 H 1 3.58 0.03 . 2 . . . . . . . . 5814 1 464 . 1 1 41 41 ALA H H 1 7.46 0.03 . 1 . . . . . . . . 5814 1 465 . 1 1 41 41 ALA N N 15 122.91 0.25 . 1 . . . . . . . . 5814 1 466 . 1 1 41 41 ALA CA C 13 55.26 0.50 . 1 . . . . . . . . 5814 1 467 . 1 1 41 41 ALA HA H 1 4.19 0.03 . 1 . . . . . . . . 5814 1 468 . 1 1 41 41 ALA C C 13 180.31 0.50 . 1 . . . . . . . . 5814 1 469 . 1 1 41 41 ALA CB C 13 17.54 0.50 . 1 . . . . . . . . 5814 1 470 . 1 1 41 41 ALA HB1 H 1 1.51 0.03 . 1 . . . . . . . . 5814 1 471 . 1 1 41 41 ALA HB2 H 1 1.51 0.03 . 1 . . . . . . . . 5814 1 472 . 1 1 41 41 ALA HB3 H 1 1.51 0.03 . 1 . . . . . . . . 5814 1 473 . 1 1 42 42 LEU H H 1 7.76 0.03 . 1 . . . . . . . . 5814 1 474 . 1 1 42 42 LEU N N 15 121.04 0.25 . 1 . . . . . . . . 5814 1 475 . 1 1 42 42 LEU CA C 13 57.80 0.50 . 1 . . . . . . . . 5814 1 476 . 1 1 42 42 LEU HA H 1 3.90 0.03 . 1 . . . . . . . . 5814 1 477 . 1 1 42 42 LEU C C 13 177.97 0.50 . 1 . . . . . . . . 5814 1 478 . 1 1 42 42 LEU CB C 13 42.42 0.50 . 1 . . . . . . . . 5814 1 479 . 1 1 42 42 LEU HB2 H 1 1.39 0.03 . 2 . . . . . . . . 5814 1 480 . 1 1 42 42 LEU HB3 H 1 1.89 0.03 . 2 . . . . . . . . 5814 1 481 . 1 1 42 42 LEU CG C 13 27.20 0.50 . 1 . . . . . . . . 5814 1 482 . 1 1 42 42 LEU CD1 C 13 23.35 0.50 . 1 . . . . . . . . 5814 1 483 . 1 1 42 42 LEU HD11 H 1 0.73 0.03 . 1 . . . . . . . . 5814 1 484 . 1 1 42 42 LEU HD12 H 1 0.73 0.03 . 1 . . . . . . . . 5814 1 485 . 1 1 42 42 LEU HD13 H 1 0.73 0.03 . 1 . . . . . . . . 5814 1 486 . 1 1 42 42 LEU CD2 C 13 26.65 0.50 . 1 . . . . . . . . 5814 1 487 . 1 1 42 42 LEU HD21 H 1 1.09 0.03 . 1 . . . . . . . . 5814 1 488 . 1 1 42 42 LEU HD22 H 1 1.09 0.03 . 1 . . . . . . . . 5814 1 489 . 1 1 42 42 LEU HD23 H 1 1.09 0.03 . 1 . . . . . . . . 5814 1 490 . 1 1 42 42 LEU HG H 1 0.95 0.03 . 1 . . . . . . . . 5814 1 491 . 1 1 43 43 ILE H H 1 8.10 0.03 . 1 . . . . . . . . 5814 1 492 . 1 1 43 43 ILE N N 15 117.80 0.25 . 1 . . . . . . . . 5814 1 493 . 1 1 43 43 ILE CA C 13 66.49 0.50 . 1 . . . . . . . . 5814 1 494 . 1 1 43 43 ILE HA H 1 3.11 0.03 . 1 . . . . . . . . 5814 1 495 . 1 1 43 43 ILE C C 13 177.70 0.50 . 1 . . . . . . . . 5814 1 496 . 1 1 43 43 ILE CB C 13 37.44 0.50 . 1 . . . . . . . . 5814 1 497 . 1 1 43 43 ILE HB H 1 1.45 0.03 . 1 . . . . . . . . 5814 1 498 . 1 1 43 43 ILE CG2 C 13 16.06 0.50 . 1 . . . . . . . . 5814 1 499 . 1 1 43 43 ILE HG21 H 1 -0.14 0.03 . 1 . . . . . . . . 5814 1 500 . 1 1 43 43 ILE HG22 H 1 -0.14 0.03 . 1 . . . . . . . . 5814 1 501 . 1 1 43 43 ILE HG23 H 1 -0.14 0.03 . 1 . . . . . . . . 5814 1 502 . 1 1 43 43 ILE CG1 C 13 31.60 0.50 . 1 . . . . . . . . 5814 1 503 . 1 1 43 43 ILE HG12 H 1 1.42 0.03 . 2 . . . . . . . . 5814 1 504 . 1 1 43 43 ILE HG13 H 1 0.36 0.03 . 2 . . . . . . . . 5814 1 505 . 1 1 43 43 ILE CD1 C 13 13.49 0.50 . 1 . . . . . . . . 5814 1 506 . 1 1 43 43 ILE HD11 H 1 -0.22 0.03 . 1 . . . . . . . . 5814 1 507 . 1 1 43 43 ILE HD12 H 1 -0.22 0.03 . 1 . . . . . . . . 5814 1 508 . 1 1 43 43 ILE HD13 H 1 -0.22 0.03 . 1 . . . . . . . . 5814 1 509 . 1 1 44 44 ASN H H 1 8.09 0.03 . 1 . . . . . . . . 5814 1 510 . 1 1 44 44 ASN N N 15 117.06 0.25 . 1 . . . . . . . . 5814 1 511 . 1 1 44 44 ASN CA C 13 56.22 0.50 . 1 . . . . . . . . 5814 1 512 . 1 1 44 44 ASN HA H 1 4.55 0.03 . 1 . . . . . . . . 5814 1 513 . 1 1 44 44 ASN C C 13 178.68 0.50 . 1 . . . . . . . . 5814 1 514 . 1 1 44 44 ASN CB C 13 37.04 0.50 . 1 . . . . . . . . 5814 1 515 . 1 1 44 44 ASN HB2 H 1 2.50 0.03 . 2 . . . . . . . . 5814 1 516 . 1 1 44 44 ASN HB3 H 1 2.73 0.03 . 2 . . . . . . . . 5814 1 517 . 1 1 45 45 GLN H H 1 7.65 0.03 . 1 . . . . . . . . 5814 1 518 . 1 1 45 45 GLN N N 15 122.38 0.25 . 1 . . . . . . . . 5814 1 519 . 1 1 45 45 GLN CA C 13 59.32 0.50 . 1 . . . . . . . . 5814 1 520 . 1 1 45 45 GLN HA H 1 4.12 0.03 . 1 . . . . . . . . 5814 1 521 . 1 1 45 45 GLN C C 13 179.50 0.50 . 1 . . . . . . . . 5814 1 522 . 1 1 45 45 GLN CB C 13 28.23 0.50 . 1 . . . . . . . . 5814 1 523 . 1 1 45 45 GLN HB2 H 1 2.21 0.03 . 2 . . . . . . . . 5814 1 524 . 1 1 45 45 GLN HB3 H 1 2.13 0.03 . 2 . . . . . . . . 5814 1 525 . 1 1 45 45 GLN CG C 13 33.78 0.50 . 1 . . . . . . . . 5814 1 526 . 1 1 45 45 GLN HG2 H 1 2.33 0.03 . 2 . . . . . . . . 5814 1 527 . 1 1 45 45 GLN HG3 H 1 2.42 0.03 . 2 . . . . . . . . 5814 1 528 . 1 1 46 46 HIS H H 1 8.34 0.03 . 1 . . . . . . . . 5814 1 529 . 1 1 46 46 HIS N N 15 120.92 0.25 . 1 . . . . . . . . 5814 1 530 . 1 1 46 46 HIS CA C 13 57.51 0.50 . 1 . . . . . . . . 5814 1 531 . 1 1 46 46 HIS HA H 1 4.72 0.03 . 1 . . . . . . . . 5814 1 532 . 1 1 46 46 HIS C C 13 179.46 0.50 . 1 . . . . . . . . 5814 1 533 . 1 1 46 46 HIS CB C 13 31.97 0.50 . 1 . . . . . . . . 5814 1 534 . 1 1 46 46 HIS HB2 H 1 2.85 0.03 . 2 . . . . . . . . 5814 1 535 . 1 1 46 46 HIS HB3 H 1 3.32 0.03 . 2 . . . . . . . . 5814 1 536 . 1 1 46 46 HIS CD2 C 13 114.40 0.50 . 1 . . . . . . . . 5814 1 537 . 1 1 46 46 HIS HD2 H 1 6.19 0.03 . 1 . . . . . . . . 5814 1 538 . 1 1 46 46 HIS CE1 C 13 138.90 0.50 . 1 . . . . . . . . 5814 1 539 . 1 1 46 46 HIS HE1 H 1 7.73 0.03 . 1 . . . . . . . . 5814 1 540 . 1 1 47 47 LEU H H 1 9.46 0.03 . 1 . . . . . . . . 5814 1 541 . 1 1 47 47 LEU N N 15 118.32 0.25 . 1 . . . . . . . . 5814 1 542 . 1 1 47 47 LEU CA C 13 57.99 0.50 . 1 . . . . . . . . 5814 1 543 . 1 1 47 47 LEU HA H 1 3.73 0.03 . 1 . . . . . . . . 5814 1 544 . 1 1 47 47 LEU C C 13 177.88 0.50 . 1 . . . . . . . . 5814 1 545 . 1 1 47 47 LEU CB C 13 41.53 0.50 . 1 . . . . . . . . 5814 1 546 . 1 1 47 47 LEU HB2 H 1 1.99 0.03 . 2 . . . . . . . . 5814 1 547 . 1 1 47 47 LEU HB3 H 1 1.30 0.03 . 2 . . . . . . . . 5814 1 548 . 1 1 47 47 LEU CD1 C 13 26.26 0.50 . 1 . . . . . . . . 5814 1 549 . 1 1 47 47 LEU HD11 H 1 0.86 0.03 . 1 . . . . . . . . 5814 1 550 . 1 1 47 47 LEU HD12 H 1 0.86 0.03 . 1 . . . . . . . . 5814 1 551 . 1 1 47 47 LEU HD13 H 1 0.86 0.03 . 1 . . . . . . . . 5814 1 552 . 1 1 47 47 LEU CD2 C 13 22.61 0.50 . 1 . . . . . . . . 5814 1 553 . 1 1 47 47 LEU HD21 H 1 0.87 0.03 . 1 . . . . . . . . 5814 1 554 . 1 1 47 47 LEU HD22 H 1 0.87 0.03 . 1 . . . . . . . . 5814 1 555 . 1 1 47 47 LEU HD23 H 1 0.87 0.03 . 1 . . . . . . . . 5814 1 556 . 1 1 48 48 SER H H 1 7.58 0.03 . 1 . . . . . . . . 5814 1 557 . 1 1 48 48 SER N N 15 113.80 0.25 . 1 . . . . . . . . 5814 1 558 . 1 1 48 48 SER CA C 13 62.69 0.50 . 1 . . . . . . . . 5814 1 559 . 1 1 48 48 SER HA H 1 3.99 0.03 . 1 . . . . . . . . 5814 1 560 . 1 1 48 48 SER C C 13 177.17 0.50 . 1 . . . . . . . . 5814 1 561 . 1 1 48 48 SER CB C 13 62.49 0.50 . 1 . . . . . . . . 5814 1 562 . 1 1 48 48 SER HB2 H 1 4.10 0.03 . 2 . . . . . . . . 5814 1 563 . 1 1 49 49 GLY H H 1 7.35 0.03 . 1 . . . . . . . . 5814 1 564 . 1 1 49 49 GLY N N 15 107.23 0.25 . 1 . . . . . . . . 5814 1 565 . 1 1 49 49 GLY CA C 13 47.22 0.50 . 1 . . . . . . . . 5814 1 566 . 1 1 49 49 GLY HA2 H 1 3.84 0.03 . 2 . . . . . . . . 5814 1 567 . 1 1 49 49 GLY HA3 H 1 3.90 0.03 . 2 . . . . . . . . 5814 1 568 . 1 1 49 49 GLY C C 13 176.98 0.50 . 1 . . . . . . . . 5814 1 569 . 1 1 50 50 LEU H H 1 8.32 0.03 . 1 . . . . . . . . 5814 1 570 . 1 1 50 50 LEU N N 15 122.61 0.25 . 1 . . . . . . . . 5814 1 571 . 1 1 50 50 LEU CA C 13 57.63 0.50 . 1 . . . . . . . . 5814 1 572 . 1 1 50 50 LEU HA H 1 4.05 0.03 . 1 . . . . . . . . 5814 1 573 . 1 1 50 50 LEU C C 13 177.27 0.50 . 1 . . . . . . . . 5814 1 574 . 1 1 50 50 LEU CB C 13 41.82 0.50 . 1 . . . . . . . . 5814 1 575 . 1 1 50 50 LEU HB2 H 1 1.57 0.03 . 2 . . . . . . . . 5814 1 576 . 1 1 50 50 LEU HB3 H 1 1.30 0.03 . 2 . . . . . . . . 5814 1 577 . 1 1 50 50 LEU CD1 C 13 25.74 0.50 . 1 . . . . . . . . 5814 1 578 . 1 1 50 50 LEU HD11 H 1 0.79 0.03 . 1 . . . . . . . . 5814 1 579 . 1 1 50 50 LEU HD12 H 1 0.79 0.03 . 1 . . . . . . . . 5814 1 580 . 1 1 50 50 LEU HD13 H 1 0.79 0.03 . 1 . . . . . . . . 5814 1 581 . 1 1 50 50 LEU CD2 C 13 23.58 0.50 . 1 . . . . . . . . 5814 1 582 . 1 1 50 50 LEU HD21 H 1 1.03 0.03 . 1 . . . . . . . . 5814 1 583 . 1 1 50 50 LEU HD22 H 1 1.03 0.03 . 1 . . . . . . . . 5814 1 584 . 1 1 50 50 LEU HD23 H 1 1.03 0.03 . 1 . . . . . . . . 5814 1 585 . 1 1 51 51 ALA H H 1 8.27 0.03 . 1 . . . . . . . . 5814 1 586 . 1 1 51 51 ALA N N 15 120.58 0.25 . 1 . . . . . . . . 5814 1 587 . 1 1 51 51 ALA CA C 13 54.46 0.50 . 1 . . . . . . . . 5814 1 588 . 1 1 51 51 ALA HA H 1 3.69 0.03 . 1 . . . . . . . . 5814 1 589 . 1 1 51 51 ALA C C 13 179.55 0.50 . 1 . . . . . . . . 5814 1 590 . 1 1 51 51 ALA CB C 13 17.79 0.50 . 1 . . . . . . . . 5814 1 591 . 1 1 51 51 ALA HB1 H 1 0.86 0.03 . 1 . . . . . . . . 5814 1 592 . 1 1 51 51 ALA HB2 H 1 0.86 0.03 . 1 . . . . . . . . 5814 1 593 . 1 1 51 51 ALA HB3 H 1 0.86 0.03 . 1 . . . . . . . . 5814 1 594 . 1 1 52 52 ARG H H 1 6.54 0.03 . 1 . . . . . . . . 5814 1 595 . 1 1 52 52 ARG N N 15 113.28 0.25 . 1 . . . . . . . . 5814 1 596 . 1 1 52 52 ARG CA C 13 57.49 0.50 . 1 . . . . . . . . 5814 1 597 . 1 1 52 52 ARG HA H 1 4.12 0.03 . 1 . . . . . . . . 5814 1 598 . 1 1 52 52 ARG C C 13 177.49 0.50 . 1 . . . . . . . . 5814 1 599 . 1 1 52 52 ARG CB C 13 30.53 0.50 . 1 . . . . . . . . 5814 1 600 . 1 1 52 52 ARG HB2 H 1 1.77 0.03 . 2 . . . . . . . . 5814 1 601 . 1 1 52 52 ARG HB3 H 1 1.84 0.03 . 2 . . . . . . . . 5814 1 602 . 1 1 52 52 ARG CG C 13 27.38 0.50 . 1 . . . . . . . . 5814 1 603 . 1 1 52 52 ARG HG2 H 1 1.83 0.03 . 2 . . . . . . . . 5814 1 604 . 1 1 52 52 ARG HG3 H 1 1.75 0.03 . 2 . . . . . . . . 5814 1 605 . 1 1 52 52 ARG CD C 13 43.47 0.50 . 1 . . . . . . . . 5814 1 606 . 1 1 52 52 ARG HD2 H 1 3.20 0.03 . 2 . . . . . . . . 5814 1 607 . 1 1 52 52 ARG HD3 H 1 3.28 0.03 . 2 . . . . . . . . 5814 1 608 . 1 1 53 53 LYS H H 1 7.13 0.03 . 1 . . . . . . . . 5814 1 609 . 1 1 53 53 LYS N N 15 120.03 0.25 . 1 . . . . . . . . 5814 1 610 . 1 1 53 53 LYS CA C 13 58.60 0.50 . 1 . . . . . . . . 5814 1 611 . 1 1 53 53 LYS HA H 1 3.79 0.03 . 1 . . . . . . . . 5814 1 612 . 1 1 53 53 LYS C C 13 175.66 0.50 . 1 . . . . . . . . 5814 1 613 . 1 1 53 53 LYS CB C 13 34.15 0.50 . 1 . . . . . . . . 5814 1 614 . 1 1 53 53 LYS HB2 H 1 1.48 0.03 . 2 . . . . . . . . 5814 1 615 . 1 1 53 53 LYS CG C 13 25.26 0.50 . 1 . . . . . . . . 5814 1 616 . 1 1 53 53 LYS CD C 13 30.40 0.50 . 1 . . . . . . . . 5814 1 617 . 1 1 53 53 LYS CE C 13 45.36 0.50 . 1 . . . . . . . . 5814 1 618 . 1 1 54 54 PHE H H 1 7.88 0.03 . 1 . . . . . . . . 5814 1 619 . 1 1 54 54 PHE N N 15 115.76 0.25 . 1 . . . . . . . . 5814 1 620 . 1 1 54 54 PHE CA C 13 55.59 0.50 . 1 . . . . . . . . 5814 1 621 . 1 1 54 54 PHE HA H 1 5.22 0.03 . 1 . . . . . . . . 5814 1 622 . 1 1 54 54 PHE CB C 13 38.99 0.50 . 1 . . . . . . . . 5814 1 623 . 1 1 54 54 PHE HB2 H 1 3.13 0.03 . 2 . . . . . . . . 5814 1 624 . 1 1 54 54 PHE HB3 H 1 3.26 0.03 . 2 . . . . . . . . 5814 1 625 . 1 1 54 54 PHE CD1 C 13 132.78 0.50 . 2 . . . . . . . . 5814 1 626 . 1 1 54 54 PHE HD1 H 1 7.50 0.03 . 2 . . . . . . . . 5814 1 627 . 1 1 54 54 PHE CE1 C 13 131.20 0.50 . 2 . . . . . . . . 5814 1 628 . 1 1 54 54 PHE HE1 H 1 7.29 0.03 . 2 . . . . . . . . 5814 1 629 . 1 1 54 54 PHE HZ H 1 7.20 0.03 . 1 . . . . . . . . 5814 1 630 . 1 1 55 55 PRO CA C 13 64.70 0.50 . 1 . . . . . . . . 5814 1 631 . 1 1 55 55 PRO HA H 1 4.98 0.03 . 1 . . . . . . . . 5814 1 632 . 1 1 55 55 PRO C C 13 175.66 0.50 . 1 . . . . . . . . 5814 1 633 . 1 1 55 55 PRO CB C 13 32.02 0.50 . 1 . . . . . . . . 5814 1 634 . 1 1 55 55 PRO HB2 H 1 2.05 0.03 . 2 . . . . . . . . 5814 1 635 . 1 1 55 55 PRO HB3 H 1 2.16 0.03 . 2 . . . . . . . . 5814 1 636 . 1 1 55 55 PRO CG C 13 27.48 0.50 . 1 . . . . . . . . 5814 1 637 . 1 1 55 55 PRO CD C 13 50.53 0.50 . 1 . . . . . . . . 5814 1 638 . 1 1 55 55 PRO HD2 H 1 3.41 0.03 . 2 . . . . . . . . 5814 1 639 . 1 1 55 55 PRO HD3 H 1 3.73 0.03 . 2 . . . . . . . . 5814 1 640 . 1 1 56 56 ASP H H 1 8.78 0.03 . 1 . . . . . . . . 5814 1 641 . 1 1 56 56 ASP N N 15 116.36 0.25 . 1 . . . . . . . . 5814 1 642 . 1 1 56 56 ASP CA C 13 54.31 0.50 . 1 . . . . . . . . 5814 1 643 . 1 1 56 56 ASP HA H 1 5.05 0.03 . 1 . . . . . . . . 5814 1 644 . 1 1 56 56 ASP C C 13 175.40 0.50 . 1 . . . . . . . . 5814 1 645 . 1 1 56 56 ASP CB C 13 41.14 0.50 . 1 . . . . . . . . 5814 1 646 . 1 1 56 56 ASP HB2 H 1 2.89 0.03 . 2 . . . . . . . . 5814 1 647 . 1 1 56 56 ASP HB3 H 1 2.98 0.03 . 2 . . . . . . . . 5814 1 648 . 1 1 57 57 VAL H H 1 8.06 0.03 . 1 . . . . . . . . 5814 1 649 . 1 1 57 57 VAL N N 15 123.16 0.25 . 1 . . . . . . . . 5814 1 650 . 1 1 57 57 VAL CA C 13 62.21 0.50 . 1 . . . . . . . . 5814 1 651 . 1 1 57 57 VAL HA H 1 4.14 0.03 . 1 . . . . . . . . 5814 1 652 . 1 1 57 57 VAL C C 13 172.57 0.50 . 1 . . . . . . . . 5814 1 653 . 1 1 57 57 VAL CB C 13 33.86 0.50 . 1 . . . . . . . . 5814 1 654 . 1 1 57 57 VAL HB H 1 2.15 0.03 . 1 . . . . . . . . 5814 1 655 . 1 1 57 57 VAL CG1 C 13 21.41 0.50 . 1 . . . . . . . . 5814 1 656 . 1 1 57 57 VAL HG11 H 1 0.19 0.03 . 1 . . . . . . . . 5814 1 657 . 1 1 57 57 VAL HG12 H 1 0.19 0.03 . 1 . . . . . . . . 5814 1 658 . 1 1 57 57 VAL HG13 H 1 0.19 0.03 . 1 . . . . . . . . 5814 1 659 . 1 1 57 57 VAL CG2 C 13 22.99 0.50 . 1 . . . . . . . . 5814 1 660 . 1 1 57 57 VAL HG21 H 1 0.95 0.03 . 1 . . . . . . . . 5814 1 661 . 1 1 57 57 VAL HG22 H 1 0.95 0.03 . 1 . . . . . . . . 5814 1 662 . 1 1 57 57 VAL HG23 H 1 0.95 0.03 . 1 . . . . . . . . 5814 1 663 . 1 1 58 58 LYS H H 1 7.83 0.03 . 1 . . . . . . . . 5814 1 664 . 1 1 58 58 LYS N N 15 127.52 0.25 . 1 . . . . . . . . 5814 1 665 . 1 1 58 58 LYS CA C 13 55.70 0.50 . 1 . . . . . . . . 5814 1 666 . 1 1 58 58 LYS HA H 1 3.94 0.03 . 1 . . . . . . . . 5814 1 667 . 1 1 58 58 LYS C C 13 173.70 0.50 . 1 . . . . . . . . 5814 1 668 . 1 1 58 58 LYS CB C 13 34.90 0.50 . 1 . . . . . . . . 5814 1 669 . 1 1 58 58 LYS CG C 13 24.96 0.50 . 1 . . . . . . . . 5814 1 670 . 1 1 59 59 PHE H H 1 9.99 0.03 . 1 . . . . . . . . 5814 1 671 . 1 1 59 59 PHE N N 15 127.49 0.25 . 1 . . . . . . . . 5814 1 672 . 1 1 59 59 PHE CA C 13 57.30 0.50 . 1 . . . . . . . . 5814 1 673 . 1 1 59 59 PHE HA H 1 5.19 0.03 . 1 . . . . . . . . 5814 1 674 . 1 1 59 59 PHE C C 13 175.14 0.50 . 1 . . . . . . . . 5814 1 675 . 1 1 59 59 PHE CB C 13 41.45 0.50 . 1 . . . . . . . . 5814 1 676 . 1 1 59 59 PHE HB2 H 1 2.59 0.03 . 2 . . . . . . . . 5814 1 677 . 1 1 59 59 PHE HB3 H 1 3.25 0.03 . 2 . . . . . . . . 5814 1 678 . 1 1 59 59 PHE CD1 C 13 132.76 0.50 . 2 . . . . . . . . 5814 1 679 . 1 1 59 59 PHE HD1 H 1 7.33 0.03 . 2 . . . . . . . . 5814 1 680 . 1 1 60 60 ILE H H 1 9.52 0.03 . 1 . . . . . . . . 5814 1 681 . 1 1 60 60 ILE N N 15 121.32 0.25 . 1 . . . . . . . . 5814 1 682 . 1 1 60 60 ILE CA C 13 59.09 0.50 . 1 . . . . . . . . 5814 1 683 . 1 1 60 60 ILE HA H 1 5.32 0.03 . 1 . . . . . . . . 5814 1 684 . 1 1 60 60 ILE C C 13 174.11 0.50 . 1 . . . . . . . . 5814 1 685 . 1 1 60 60 ILE CB C 13 42.88 0.50 . 1 . . . . . . . . 5814 1 686 . 1 1 60 60 ILE HB H 1 1.57 0.03 . 1 . . . . . . . . 5814 1 687 . 1 1 60 60 ILE CG2 C 13 19.89 0.50 . 1 . . . . . . . . 5814 1 688 . 1 1 60 60 ILE HG21 H 1 0.80 0.03 . 1 . . . . . . . . 5814 1 689 . 1 1 60 60 ILE HG22 H 1 0.80 0.03 . 1 . . . . . . . . 5814 1 690 . 1 1 60 60 ILE HG23 H 1 0.80 0.03 . 1 . . . . . . . . 5814 1 691 . 1 1 60 60 ILE CG1 C 13 27.09 0.50 . 1 . . . . . . . . 5814 1 692 . 1 1 60 60 ILE HG12 H 1 1.56 0.03 . 2 . . . . . . . . 5814 1 693 . 1 1 60 60 ILE HG13 H 1 0.90 0.03 . 2 . . . . . . . . 5814 1 694 . 1 1 60 60 ILE CD1 C 13 16.04 0.50 . 1 . . . . . . . . 5814 1 695 . 1 1 60 60 ILE HD11 H 1 0.59 0.03 . 1 . . . . . . . . 5814 1 696 . 1 1 60 60 ILE HD12 H 1 0.59 0.03 . 1 . . . . . . . . 5814 1 697 . 1 1 60 60 ILE HD13 H 1 0.59 0.03 . 1 . . . . . . . . 5814 1 698 . 1 1 61 61 LYS H H 1 9.24 0.03 . 1 . . . . . . . . 5814 1 699 . 1 1 61 61 LYS N N 15 123.19 0.25 . 1 . . . . . . . . 5814 1 700 . 1 1 61 61 LYS CA C 13 53.42 0.50 . 1 . . . . . . . . 5814 1 701 . 1 1 61 61 LYS HA H 1 5.85 0.03 . 1 . . . . . . . . 5814 1 702 . 1 1 61 61 LYS C C 13 173.86 0.50 . 1 . . . . . . . . 5814 1 703 . 1 1 61 61 LYS CB C 13 36.35 0.50 . 1 . . . . . . . . 5814 1 704 . 1 1 61 61 LYS HB2 H 1 1.96 0.03 . 2 . . . . . . . . 5814 1 705 . 1 1 61 61 LYS HB3 H 1 1.50 0.03 . 2 . . . . . . . . 5814 1 706 . 1 1 61 61 LYS CD C 13 29.98 0.50 . 1 . . . . . . . . 5814 1 707 . 1 1 62 62 ALA H H 1 8.88 0.03 . 1 . . . . . . . . 5814 1 708 . 1 1 62 62 ALA N N 15 120.52 0.25 . 1 . . . . . . . . 5814 1 709 . 1 1 62 62 ALA CA C 13 51.40 0.50 . 1 . . . . . . . . 5814 1 710 . 1 1 62 62 ALA HA H 1 4.92 0.03 . 1 . . . . . . . . 5814 1 711 . 1 1 62 62 ALA C C 13 175.81 0.50 . 1 . . . . . . . . 5814 1 712 . 1 1 62 62 ALA CB C 13 24.28 0.50 . 1 . . . . . . . . 5814 1 713 . 1 1 62 62 ALA HB1 H 1 1.12 0.03 . 1 . . . . . . . . 5814 1 714 . 1 1 62 62 ALA HB2 H 1 1.12 0.03 . 1 . . . . . . . . 5814 1 715 . 1 1 62 62 ALA HB3 H 1 1.12 0.03 . 1 . . . . . . . . 5814 1 716 . 1 1 63 63 ILE H H 1 8.79 0.03 . 1 . . . . . . . . 5814 1 717 . 1 1 63 63 ILE N N 15 124.44 0.25 . 1 . . . . . . . . 5814 1 718 . 1 1 63 63 ILE CA C 13 59.49 0.50 . 1 . . . . . . . . 5814 1 719 . 1 1 63 63 ILE HA H 1 3.98 0.03 . 1 . . . . . . . . 5814 1 720 . 1 1 63 63 ILE C C 13 181.79 0.50 . 1 . . . . . . . . 5814 1 721 . 1 1 63 63 ILE CB C 13 35.79 0.50 . 1 . . . . . . . . 5814 1 722 . 1 1 63 63 ILE HB H 1 1.83 0.03 . 1 . . . . . . . . 5814 1 723 . 1 1 63 63 ILE CG2 C 13 17.12 0.50 . 1 . . . . . . . . 5814 1 724 . 1 1 63 63 ILE HG21 H 1 0.94 0.03 . 1 . . . . . . . . 5814 1 725 . 1 1 63 63 ILE HG22 H 1 0.94 0.03 . 1 . . . . . . . . 5814 1 726 . 1 1 63 63 ILE HG23 H 1 0.94 0.03 . 1 . . . . . . . . 5814 1 727 . 1 1 63 63 ILE CG1 C 13 27.41 0.50 . 1 . . . . . . . . 5814 1 728 . 1 1 63 63 ILE HG12 H 1 1.38 0.03 . 2 . . . . . . . . 5814 1 729 . 1 1 63 63 ILE HG13 H 1 1.03 0.03 . 2 . . . . . . . . 5814 1 730 . 1 1 63 63 ILE CD1 C 13 10.66 0.50 . 1 . . . . . . . . 5814 1 731 . 1 1 63 63 ILE HD11 H 1 0.42 0.03 . 1 . . . . . . . . 5814 1 732 . 1 1 63 63 ILE HD12 H 1 0.42 0.03 . 1 . . . . . . . . 5814 1 733 . 1 1 63 63 ILE HD13 H 1 0.42 0.03 . 1 . . . . . . . . 5814 1 734 . 1 1 64 64 SER H H 1 9.00 0.03 . 1 . . . . . . . . 5814 1 735 . 1 1 64 64 SER N N 15 127.23 0.25 . 1 . . . . . . . . 5814 1 736 . 1 1 64 64 SER CA C 13 62.14 0.50 . 1 . . . . . . . . 5814 1 737 . 1 1 64 64 SER HA H 1 3.72 0.03 . 1 . . . . . . . . 5814 1 738 . 1 1 64 64 SER C C 13 176.58 0.50 . 1 . . . . . . . . 5814 1 739 . 1 1 64 64 SER HB2 H 1 3.12 0.03 . 2 . . . . . . . . 5814 1 740 . 1 1 65 65 THR H H 1 7.33 0.03 . 1 . . . . . . . . 5814 1 741 . 1 1 65 65 THR N N 15 111.00 0.25 . 1 . . . . . . . . 5814 1 742 . 1 1 65 65 THR CA C 13 63.20 0.50 . 1 . . . . . . . . 5814 1 743 . 1 1 65 65 THR HA H 1 4.46 0.03 . 1 . . . . . . . . 5814 1 744 . 1 1 65 65 THR C C 13 175.92 0.50 . 1 . . . . . . . . 5814 1 745 . 1 1 65 65 THR CB C 13 68.39 0.50 . 1 . . . . . . . . 5814 1 746 . 1 1 65 65 THR HB H 1 4.49 0.03 . 1 . . . . . . . . 5814 1 747 . 1 1 65 65 THR CG2 C 13 23.33 0.50 . 1 . . . . . . . . 5814 1 748 . 1 1 65 65 THR HG21 H 1 1.43 0.03 . 1 . . . . . . . . 5814 1 749 . 1 1 65 65 THR HG22 H 1 1.43 0.03 . 1 . . . . . . . . 5814 1 750 . 1 1 65 65 THR HG23 H 1 1.43 0.03 . 1 . . . . . . . . 5814 1 751 . 1 1 66 66 THR H H 1 7.73 0.03 . 1 . . . . . . . . 5814 1 752 . 1 1 66 66 THR N N 15 111.02 0.25 . 1 . . . . . . . . 5814 1 753 . 1 1 66 66 THR CA C 13 63.48 0.50 . 1 . . . . . . . . 5814 1 754 . 1 1 66 66 THR HA H 1 4.41 0.03 . 1 . . . . . . . . 5814 1 755 . 1 1 66 66 THR C C 13 175.18 0.50 . 1 . . . . . . . . 5814 1 756 . 1 1 66 66 THR CB C 13 69.56 0.50 . 1 . . . . . . . . 5814 1 757 . 1 1 66 66 THR HB H 1 4.41 0.03 . 1 . . . . . . . . 5814 1 758 . 1 1 66 66 THR CG2 C 13 22.10 0.50 . 1 . . . . . . . . 5814 1 759 . 1 1 66 66 THR HG21 H 1 1.32 0.03 . 1 . . . . . . . . 5814 1 760 . 1 1 66 66 THR HG22 H 1 1.32 0.03 . 1 . . . . . . . . 5814 1 761 . 1 1 66 66 THR HG23 H 1 1.32 0.03 . 1 . . . . . . . . 5814 1 762 . 1 1 67 67 CYS H H 1 7.19 0.03 . 1 . . . . . . . . 5814 1 763 . 1 1 67 67 CYS N N 15 117.94 0.25 . 1 . . . . . . . . 5814 1 764 . 1 1 67 67 CYS CA C 13 61.09 0.50 . 1 . . . . . . . . 5814 1 765 . 1 1 67 67 CYS HA H 1 4.39 0.03 . 1 . . . . . . . . 5814 1 766 . 1 1 67 67 CYS C C 13 174.00 0.50 . 1 . . . . . . . . 5814 1 767 . 1 1 67 67 CYS CB C 13 29.01 0.50 . 1 . . . . . . . . 5814 1 768 . 1 1 67 67 CYS HB2 H 1 2.33 0.03 . 2 . . . . . . . . 5814 1 769 . 1 1 67 67 CYS HB3 H 1 2.61 0.03 . 2 . . . . . . . . 5814 1 770 . 1 1 68 68 ILE H H 1 7.92 0.03 . 1 . . . . . . . . 5814 1 771 . 1 1 68 68 ILE N N 15 118.55 0.25 . 1 . . . . . . . . 5814 1 772 . 1 1 68 68 ILE CA C 13 58.38 0.50 . 1 . . . . . . . . 5814 1 773 . 1 1 68 68 ILE HA H 1 4.43 0.03 . 1 . . . . . . . . 5814 1 774 . 1 1 68 68 ILE CB C 13 40.24 0.50 . 1 . . . . . . . . 5814 1 775 . 1 1 68 68 ILE HB H 1 1.62 0.03 . 1 . . . . . . . . 5814 1 776 . 1 1 68 68 ILE CG2 C 13 17.70 0.50 . 1 . . . . . . . . 5814 1 777 . 1 1 68 68 ILE HG21 H 1 0.98 0.03 . 1 . . . . . . . . 5814 1 778 . 1 1 68 68 ILE HG22 H 1 0.98 0.03 . 1 . . . . . . . . 5814 1 779 . 1 1 68 68 ILE HG23 H 1 0.98 0.03 . 1 . . . . . . . . 5814 1 780 . 1 1 68 68 ILE CG1 C 13 26.80 0.50 . 1 . . . . . . . . 5814 1 781 . 1 1 68 68 ILE HG12 H 1 0.94 0.03 . 2 . . . . . . . . 5814 1 782 . 1 1 68 68 ILE HG13 H 1 1.28 0.03 . 2 . . . . . . . . 5814 1 783 . 1 1 68 68 ILE CD1 C 13 13.64 0.50 . 1 . . . . . . . . 5814 1 784 . 1 1 68 68 ILE HD11 H 1 0.69 0.03 . 1 . . . . . . . . 5814 1 785 . 1 1 68 68 ILE HD12 H 1 0.69 0.03 . 1 . . . . . . . . 5814 1 786 . 1 1 68 68 ILE HD13 H 1 0.69 0.03 . 1 . . . . . . . . 5814 1 787 . 1 1 69 69 PRO CA C 13 64.53 0.50 . 1 . . . . . . . . 5814 1 788 . 1 1 69 69 PRO HA H 1 4.39 0.03 . 1 . . . . . . . . 5814 1 789 . 1 1 69 69 PRO C C 13 177.29 0.50 . 1 . . . . . . . . 5814 1 790 . 1 1 69 69 PRO CB C 13 31.93 0.50 . 1 . . . . . . . . 5814 1 791 . 1 1 69 69 PRO HB2 H 1 1.85 0.03 . 2 . . . . . . . . 5814 1 792 . 1 1 69 69 PRO HB3 H 1 2.33 0.03 . 2 . . . . . . . . 5814 1 793 . 1 1 69 69 PRO CG C 13 27.53 0.50 . 1 . . . . . . . . 5814 1 794 . 1 1 69 69 PRO HG2 H 1 1.96 0.03 . 2 . . . . . . . . 5814 1 795 . 1 1 69 69 PRO HG3 H 1 2.06 0.03 . 2 . . . . . . . . 5814 1 796 . 1 1 69 69 PRO CD C 13 51.38 0.50 . 1 . . . . . . . . 5814 1 797 . 1 1 69 69 PRO HD2 H 1 3.51 0.03 . 2 . . . . . . . . 5814 1 798 . 1 1 69 69 PRO HD3 H 1 3.73 0.03 . 2 . . . . . . . . 5814 1 799 . 1 1 70 70 ASN H H 1 8.62 0.03 . 1 . . . . . . . . 5814 1 800 . 1 1 70 70 ASN N N 15 113.93 0.25 . 1 . . . . . . . . 5814 1 801 . 1 1 70 70 ASN CA C 13 53.36 0.50 . 1 . . . . . . . . 5814 1 802 . 1 1 70 70 ASN HA H 1 4.48 0.03 . 1 . . . . . . . . 5814 1 803 . 1 1 70 70 ASN C C 13 174.81 0.50 . 1 . . . . . . . . 5814 1 804 . 1 1 70 70 ASN CB C 13 37.76 0.50 . 1 . . . . . . . . 5814 1 805 . 1 1 70 70 ASN HB2 H 1 2.90 0.03 . 2 . . . . . . . . 5814 1 806 . 1 1 71 71 TYR H H 1 7.79 0.03 . 1 . . . . . . . . 5814 1 807 . 1 1 71 71 TYR N N 15 123.69 0.25 . 1 . . . . . . . . 5814 1 808 . 1 1 71 71 TYR CA C 13 58.26 0.50 . 1 . . . . . . . . 5814 1 809 . 1 1 71 71 TYR HA H 1 4.44 0.03 . 1 . . . . . . . . 5814 1 810 . 1 1 71 71 TYR CB C 13 38.70 0.50 . 1 . . . . . . . . 5814 1 811 . 1 1 71 71 TYR HB2 H 1 2.56 0.03 . 2 . . . . . . . . 5814 1 812 . 1 1 71 71 TYR HB3 H 1 3.28 0.03 . 2 . . . . . . . . 5814 1 813 . 1 1 71 71 TYR CD1 C 13 133.50 0.50 . 2 . . . . . . . . 5814 1 814 . 1 1 71 71 TYR HD1 H 1 7.06 0.03 . 2 . . . . . . . . 5814 1 815 . 1 1 71 71 TYR CE1 C 13 118.40 0.50 . 2 . . . . . . . . 5814 1 816 . 1 1 71 71 TYR HE1 H 1 6.75 0.03 . 2 . . . . . . . . 5814 1 817 . 1 1 72 72 PRO CA C 13 63.15 0.50 . 1 . . . . . . . . 5814 1 818 . 1 1 72 72 PRO HA H 1 4.35 0.03 . 1 . . . . . . . . 5814 1 819 . 1 1 72 72 PRO C C 13 177.65 0.50 . 1 . . . . . . . . 5814 1 820 . 1 1 72 72 PRO CB C 13 32.42 0.50 . 1 . . . . . . . . 5814 1 821 . 1 1 72 72 PRO HB2 H 1 1.61 0.03 . 2 . . . . . . . . 5814 1 822 . 1 1 72 72 PRO CG C 13 27.52 0.50 . 1 . . . . . . . . 5814 1 823 . 1 1 72 72 PRO CD C 13 50.46 0.50 . 1 . . . . . . . . 5814 1 824 . 1 1 73 73 ASP H H 1 8.65 0.03 . 1 . . . . . . . . 5814 1 825 . 1 1 73 73 ASP N N 15 125.43 0.25 . 1 . . . . . . . . 5814 1 826 . 1 1 73 73 ASP CA C 13 57.10 0.50 . 1 . . . . . . . . 5814 1 827 . 1 1 73 73 ASP HA H 1 4.31 0.03 . 1 . . . . . . . . 5814 1 828 . 1 1 73 73 ASP CB C 13 39.69 0.50 . 1 . . . . . . . . 5814 1 829 . 1 1 73 73 ASP HB2 H 1 2.61 0.03 . 2 . . . . . . . . 5814 1 830 . 1 1 74 74 ARG CA C 13 57.41 0.50 . 1 . . . . . . . . 5814 1 831 . 1 1 74 74 ARG C C 13 176.06 0.50 . 1 . . . . . . . . 5814 1 832 . 1 1 74 74 ARG CB C 13 29.25 0.50 . 1 . . . . . . . . 5814 1 833 . 1 1 74 74 ARG CG C 13 26.70 0.50 . 1 . . . . . . . . 5814 1 834 . 1 1 74 74 ARG CD C 13 43.44 0.50 . 1 . . . . . . . . 5814 1 835 . 1 1 75 75 ASN H H 1 7.62 0.03 . 1 . . . . . . . . 5814 1 836 . 1 1 75 75 ASN N N 15 116.91 0.25 . 1 . . . . . . . . 5814 1 837 . 1 1 75 75 ASN CA C 13 51.84 0.50 . 1 . . . . . . . . 5814 1 838 . 1 1 75 75 ASN HA H 1 4.76 0.03 . 1 . . . . . . . . 5814 1 839 . 1 1 75 75 ASN C C 13 173.76 0.50 . 1 . . . . . . . . 5814 1 840 . 1 1 75 75 ASN CB C 13 37.57 0.50 . 1 . . . . . . . . 5814 1 841 . 1 1 75 75 ASN HB2 H 1 2.50 0.03 . 2 . . . . . . . . 5814 1 842 . 1 1 75 75 ASN HB3 H 1 3.12 0.03 . 2 . . . . . . . . 5814 1 843 . 1 1 76 76 LEU H H 1 7.78 0.03 . 1 . . . . . . . . 5814 1 844 . 1 1 76 76 LEU N N 15 120.33 0.25 . 1 . . . . . . . . 5814 1 845 . 1 1 76 76 LEU CA C 13 52.69 0.50 . 1 . . . . . . . . 5814 1 846 . 1 1 76 76 LEU HA H 1 4.61 0.03 . 1 . . . . . . . . 5814 1 847 . 1 1 76 76 LEU CB C 13 42.19 0.50 . 1 . . . . . . . . 5814 1 848 . 1 1 76 76 LEU HB2 H 1 1.14 0.03 . 2 . . . . . . . . 5814 1 849 . 1 1 76 76 LEU HB3 H 1 2.19 0.03 . 2 . . . . . . . . 5814 1 850 . 1 1 76 76 LEU HD11 H 1 0.97 0.03 . 1 . . . . . . . . 5814 1 851 . 1 1 76 76 LEU HD12 H 1 0.97 0.03 . 1 . . . . . . . . 5814 1 852 . 1 1 76 76 LEU HD13 H 1 0.97 0.03 . 1 . . . . . . . . 5814 1 853 . 1 1 76 76 LEU HD21 H 1 0.97 0.03 . 1 . . . . . . . . 5814 1 854 . 1 1 76 76 LEU HD22 H 1 0.97 0.03 . 1 . . . . . . . . 5814 1 855 . 1 1 76 76 LEU HD23 H 1 0.97 0.03 . 1 . . . . . . . . 5814 1 856 . 1 1 77 77 PRO CA C 13 62.39 0.50 . 1 . . . . . . . . 5814 1 857 . 1 1 77 77 PRO HA H 1 4.37 0.03 . 1 . . . . . . . . 5814 1 858 . 1 1 77 77 PRO C C 13 175.99 0.50 . 1 . . . . . . . . 5814 1 859 . 1 1 77 77 PRO CB C 13 35.36 0.50 . 1 . . . . . . . . 5814 1 860 . 1 1 77 77 PRO HB2 H 1 1.72 0.03 . 2 . . . . . . . . 5814 1 861 . 1 1 77 77 PRO CG C 13 26.25 0.50 . 1 . . . . . . . . 5814 1 862 . 1 1 77 77 PRO HG2 H 1 1.55 0.03 . 2 . . . . . . . . 5814 1 863 . 1 1 77 77 PRO HG3 H 1 1.76 0.03 . 2 . . . . . . . . 5814 1 864 . 1 1 77 77 PRO CD C 13 50.39 0.50 . 1 . . . . . . . . 5814 1 865 . 1 1 77 77 PRO HD2 H 1 3.28 0.03 . 2 . . . . . . . . 5814 1 866 . 1 1 77 77 PRO HD3 H 1 3.61 0.03 . 2 . . . . . . . . 5814 1 867 . 1 1 78 78 THR H H 1 7.94 0.03 . 1 . . . . . . . . 5814 1 868 . 1 1 78 78 THR N N 15 116.30 0.25 . 1 . . . . . . . . 5814 1 869 . 1 1 78 78 THR CA C 13 62.12 0.50 . 1 . . . . . . . . 5814 1 870 . 1 1 78 78 THR HA H 1 5.88 0.03 . 1 . . . . . . . . 5814 1 871 . 1 1 78 78 THR C C 13 173.33 0.50 . 1 . . . . . . . . 5814 1 872 . 1 1 78 78 THR CB C 13 74.94 0.50 . 1 . . . . . . . . 5814 1 873 . 1 1 78 78 THR HB H 1 3.91 0.03 . 1 . . . . . . . . 5814 1 874 . 1 1 78 78 THR CG2 C 13 21.15 0.50 . 1 . . . . . . . . 5814 1 875 . 1 1 78 78 THR HG21 H 1 0.53 0.03 . 1 . . . . . . . . 5814 1 876 . 1 1 78 78 THR HG22 H 1 0.53 0.03 . 1 . . . . . . . . 5814 1 877 . 1 1 78 78 THR HG23 H 1 0.53 0.03 . 1 . . . . . . . . 5814 1 878 . 1 1 79 79 ILE H H 1 9.54 0.03 . 1 . . . . . . . . 5814 1 879 . 1 1 79 79 ILE N N 15 126.14 0.25 . 1 . . . . . . . . 5814 1 880 . 1 1 79 79 ILE CA C 13 59.89 0.50 . 1 . . . . . . . . 5814 1 881 . 1 1 79 79 ILE HA H 1 5.74 0.03 . 1 . . . . . . . . 5814 1 882 . 1 1 79 79 ILE C C 13 175.10 0.50 . 1 . . . . . . . . 5814 1 883 . 1 1 79 79 ILE CB C 13 42.09 0.50 . 1 . . . . . . . . 5814 1 884 . 1 1 79 79 ILE HB H 1 1.96 0.03 . 1 . . . . . . . . 5814 1 885 . 1 1 79 79 ILE CG2 C 13 17.77 0.50 . 1 . . . . . . . . 5814 1 886 . 1 1 79 79 ILE HG21 H 1 0.91 0.03 . 1 . . . . . . . . 5814 1 887 . 1 1 79 79 ILE HG22 H 1 0.91 0.03 . 1 . . . . . . . . 5814 1 888 . 1 1 79 79 ILE HG23 H 1 0.91 0.03 . 1 . . . . . . . . 5814 1 889 . 1 1 79 79 ILE CG1 C 13 28.45 0.50 . 1 . . . . . . . . 5814 1 890 . 1 1 79 79 ILE HG12 H 1 1.87 0.03 . 2 . . . . . . . . 5814 1 891 . 1 1 79 79 ILE HG13 H 1 1.14 0.03 . 2 . . . . . . . . 5814 1 892 . 1 1 79 79 ILE CD1 C 13 14.14 0.50 . 1 . . . . . . . . 5814 1 893 . 1 1 79 79 ILE HD11 H 1 0.75 0.03 . 1 . . . . . . . . 5814 1 894 . 1 1 79 79 ILE HD12 H 1 0.75 0.03 . 1 . . . . . . . . 5814 1 895 . 1 1 79 79 ILE HD13 H 1 0.75 0.03 . 1 . . . . . . . . 5814 1 896 . 1 1 80 80 PHE H H 1 9.45 0.03 . 1 . . . . . . . . 5814 1 897 . 1 1 80 80 PHE N N 15 125.97 0.25 . 1 . . . . . . . . 5814 1 898 . 1 1 80 80 PHE CA C 13 54.89 0.50 . 1 . . . . . . . . 5814 1 899 . 1 1 80 80 PHE HA H 1 5.50 0.03 . 1 . . . . . . . . 5814 1 900 . 1 1 80 80 PHE C C 13 174.37 0.50 . 1 . . . . . . . . 5814 1 901 . 1 1 80 80 PHE CB C 13 44.00 0.50 . 1 . . . . . . . . 5814 1 902 . 1 1 80 80 PHE HB2 H 1 2.92 0.03 . 2 . . . . . . . . 5814 1 903 . 1 1 80 80 PHE HB3 H 1 3.05 0.03 . 2 . . . . . . . . 5814 1 904 . 1 1 80 80 PHE CD1 C 13 131.00 0.50 . 2 . . . . . . . . 5814 1 905 . 1 1 80 80 PHE HD1 H 1 6.95 0.03 . 2 . . . . . . . . 5814 1 906 . 1 1 80 80 PHE HE1 H 1 7.10 0.03 . 2 . . . . . . . . 5814 1 907 . 1 1 80 80 PHE CZ C 13 131.00 0.50 . 1 . . . . . . . . 5814 1 908 . 1 1 80 80 PHE HZ H 1 7.10 0.03 . 1 . . . . . . . . 5814 1 909 . 1 1 81 81 VAL H H 1 8.43 0.03 . 1 . . . . . . . . 5814 1 910 . 1 1 81 81 VAL N N 15 121.35 0.25 . 1 . . . . . . . . 5814 1 911 . 1 1 81 81 VAL CA C 13 61.57 0.50 . 1 . . . . . . . . 5814 1 912 . 1 1 81 81 VAL HA H 1 5.16 0.03 . 1 . . . . . . . . 5814 1 913 . 1 1 81 81 VAL C C 13 174.91 0.50 . 1 . . . . . . . . 5814 1 914 . 1 1 81 81 VAL CB C 13 33.44 0.50 . 1 . . . . . . . . 5814 1 915 . 1 1 81 81 VAL HB H 1 2.10 0.03 . 1 . . . . . . . . 5814 1 916 . 1 1 81 81 VAL CG1 C 13 21.96 0.50 . 1 . . . . . . . . 5814 1 917 . 1 1 81 81 VAL HG11 H 1 1.22 0.03 . 1 . . . . . . . . 5814 1 918 . 1 1 81 81 VAL HG12 H 1 1.22 0.03 . 1 . . . . . . . . 5814 1 919 . 1 1 81 81 VAL HG13 H 1 1.22 0.03 . 1 . . . . . . . . 5814 1 920 . 1 1 81 81 VAL CG2 C 13 20.66 0.50 . 1 . . . . . . . . 5814 1 921 . 1 1 81 81 VAL HG21 H 1 1.02 0.03 . 1 . . . . . . . . 5814 1 922 . 1 1 81 81 VAL HG22 H 1 1.02 0.03 . 1 . . . . . . . . 5814 1 923 . 1 1 81 81 VAL HG23 H 1 1.02 0.03 . 1 . . . . . . . . 5814 1 924 . 1 1 82 82 TYR H H 1 10.20 0.03 . 1 . . . . . . . . 5814 1 925 . 1 1 82 82 TYR N N 15 128.05 0.25 . 1 . . . . . . . . 5814 1 926 . 1 1 82 82 TYR CA C 13 56.99 0.50 . 1 . . . . . . . . 5814 1 927 . 1 1 82 82 TYR HA H 1 5.35 0.03 . 1 . . . . . . . . 5814 1 928 . 1 1 82 82 TYR C C 13 174.83 0.50 . 1 . . . . . . . . 5814 1 929 . 1 1 82 82 TYR CB C 13 44.06 0.50 . 1 . . . . . . . . 5814 1 930 . 1 1 82 82 TYR HB2 H 1 2.80 0.03 . 2 . . . . . . . . 5814 1 931 . 1 1 82 82 TYR CD1 C 13 132.40 0.50 . 2 . . . . . . . . 5814 1 932 . 1 1 82 82 TYR HD1 H 1 6.55 0.03 . 2 . . . . . . . . 5814 1 933 . 1 1 82 82 TYR CE1 C 13 118.80 0.50 . 2 . . . . . . . . 5814 1 934 . 1 1 82 82 TYR HE1 H 1 6.55 0.03 . 2 . . . . . . . . 5814 1 935 . 1 1 83 83 LEU H H 1 8.13 0.03 . 1 . . . . . . . . 5814 1 936 . 1 1 83 83 LEU N N 15 116.45 0.25 . 1 . . . . . . . . 5814 1 937 . 1 1 83 83 LEU CA C 13 55.78 0.50 . 1 . . . . . . . . 5814 1 938 . 1 1 83 83 LEU HA H 1 4.21 0.03 . 1 . . . . . . . . 5814 1 939 . 1 1 83 83 LEU C C 13 176.51 0.50 . 1 . . . . . . . . 5814 1 940 . 1 1 83 83 LEU CB C 13 44.42 0.50 . 1 . . . . . . . . 5814 1 941 . 1 1 83 83 LEU HB2 H 1 0.08 0.03 . 2 . . . . . . . . 5814 1 942 . 1 1 83 83 LEU HB3 H 1 0.93 0.03 . 2 . . . . . . . . 5814 1 943 . 1 1 83 83 LEU CG C 13 26.98 0.50 . 1 . . . . . . . . 5814 1 944 . 1 1 83 83 LEU CD1 C 13 20.61 0.50 . 1 . . . . . . . . 5814 1 945 . 1 1 83 83 LEU HD11 H 1 -0.25 0.03 . 1 . . . . . . . . 5814 1 946 . 1 1 83 83 LEU HD12 H 1 -0.25 0.03 . 1 . . . . . . . . 5814 1 947 . 1 1 83 83 LEU HD13 H 1 -0.25 0.03 . 1 . . . . . . . . 5814 1 948 . 1 1 83 83 LEU CD2 C 13 25.35 0.50 . 1 . . . . . . . . 5814 1 949 . 1 1 83 83 LEU HD21 H 1 0.15 0.03 . 1 . . . . . . . . 5814 1 950 . 1 1 83 83 LEU HD22 H 1 0.15 0.03 . 1 . . . . . . . . 5814 1 951 . 1 1 83 83 LEU HD23 H 1 0.15 0.03 . 1 . . . . . . . . 5814 1 952 . 1 1 83 83 LEU HG H 1 0.78 0.03 . 1 . . . . . . . . 5814 1 953 . 1 1 84 84 GLU H H 1 9.51 0.03 . 1 . . . . . . . . 5814 1 954 . 1 1 84 84 GLU N N 15 128.74 0.25 . 1 . . . . . . . . 5814 1 955 . 1 1 84 84 GLU CA C 13 56.73 0.50 . 1 . . . . . . . . 5814 1 956 . 1 1 84 84 GLU HA H 1 3.89 0.03 . 1 . . . . . . . . 5814 1 957 . 1 1 84 84 GLU C C 13 176.90 0.50 . 1 . . . . . . . . 5814 1 958 . 1 1 84 84 GLU CB C 13 27.24 0.50 . 1 . . . . . . . . 5814 1 959 . 1 1 84 84 GLU HB2 H 1 1.83 0.03 . 2 . . . . . . . . 5814 1 960 . 1 1 84 84 GLU HB3 H 1 2.17 0.03 . 2 . . . . . . . . 5814 1 961 . 1 1 84 84 GLU CG C 13 37.47 0.50 . 1 . . . . . . . . 5814 1 962 . 1 1 84 84 GLU HG2 H 1 2.09 0.03 . 2 . . . . . . . . 5814 1 963 . 1 1 84 84 GLU HG3 H 1 2.33 0.03 . 2 . . . . . . . . 5814 1 964 . 1 1 85 85 GLY H H 1 9.40 0.03 . 1 . . . . . . . . 5814 1 965 . 1 1 85 85 GLY N N 15 103.98 0.25 . 1 . . . . . . . . 5814 1 966 . 1 1 85 85 GLY CA C 13 46.46 0.50 . 1 . . . . . . . . 5814 1 967 . 1 1 85 85 GLY HA2 H 1 3.44 0.03 . 2 . . . . . . . . 5814 1 968 . 1 1 85 85 GLY HA3 H 1 4.30 0.03 . 2 . . . . . . . . 5814 1 969 . 1 1 85 85 GLY C C 13 172.79 0.50 . 1 . . . . . . . . 5814 1 970 . 1 1 86 86 ASP H H 1 7.84 0.03 . 1 . . . . . . . . 5814 1 971 . 1 1 86 86 ASP N N 15 121.07 0.25 . 1 . . . . . . . . 5814 1 972 . 1 1 86 86 ASP CA C 13 52.85 0.50 . 1 . . . . . . . . 5814 1 973 . 1 1 86 86 ASP HA H 1 5.00 0.03 . 1 . . . . . . . . 5814 1 974 . 1 1 86 86 ASP C C 13 175.24 0.50 . 1 . . . . . . . . 5814 1 975 . 1 1 86 86 ASP CB C 13 43.67 0.50 . 1 . . . . . . . . 5814 1 976 . 1 1 86 86 ASP HB2 H 1 2.52 0.03 . 2 . . . . . . . . 5814 1 977 . 1 1 86 86 ASP HB3 H 1 2.57 0.03 . 2 . . . . . . . . 5814 1 978 . 1 1 87 87 ILE H H 1 8.20 0.03 . 1 . . . . . . . . 5814 1 979 . 1 1 87 87 ILE N N 15 123.46 0.25 . 1 . . . . . . . . 5814 1 980 . 1 1 87 87 ILE CA C 13 62.19 0.50 . 1 . . . . . . . . 5814 1 981 . 1 1 87 87 ILE HA H 1 3.63 0.03 . 1 . . . . . . . . 5814 1 982 . 1 1 87 87 ILE C C 13 176.44 0.50 . 1 . . . . . . . . 5814 1 983 . 1 1 87 87 ILE CB C 13 37.96 0.50 . 1 . . . . . . . . 5814 1 984 . 1 1 87 87 ILE HB H 1 1.46 0.03 . 1 . . . . . . . . 5814 1 985 . 1 1 87 87 ILE CG2 C 13 17.90 0.50 . 1 . . . . . . . . 5814 1 986 . 1 1 87 87 ILE HG21 H 1 0.63 0.03 . 1 . . . . . . . . 5814 1 987 . 1 1 87 87 ILE HG22 H 1 0.63 0.03 . 1 . . . . . . . . 5814 1 988 . 1 1 87 87 ILE HG23 H 1 0.63 0.03 . 1 . . . . . . . . 5814 1 989 . 1 1 87 87 ILE CG1 C 13 29.18 0.50 . 1 . . . . . . . . 5814 1 990 . 1 1 87 87 ILE HG12 H 1 -0.07 0.03 . 2 . . . . . . . . 5814 1 991 . 1 1 87 87 ILE HG13 H 1 1.17 0.03 . 2 . . . . . . . . 5814 1 992 . 1 1 87 87 ILE CD1 C 13 13.09 0.50 . 1 . . . . . . . . 5814 1 993 . 1 1 87 87 ILE HD11 H 1 0.28 0.03 . 1 . . . . . . . . 5814 1 994 . 1 1 87 87 ILE HD12 H 1 0.28 0.03 . 1 . . . . . . . . 5814 1 995 . 1 1 87 87 ILE HD13 H 1 0.28 0.03 . 1 . . . . . . . . 5814 1 996 . 1 1 88 88 LYS H H 1 9.48 0.03 . 1 . . . . . . . . 5814 1 997 . 1 1 88 88 LYS N N 15 127.56 0.25 . 1 . . . . . . . . 5814 1 998 . 1 1 88 88 LYS CA C 13 54.28 0.50 . 1 . . . . . . . . 5814 1 999 . 1 1 88 88 LYS HA H 1 4.44 0.03 . 1 . . . . . . . . 5814 1 1000 . 1 1 88 88 LYS C C 13 177.01 0.50 . 1 . . . . . . . . 5814 1 1001 . 1 1 88 88 LYS CB C 13 33.12 0.50 . 1 . . . . . . . . 5814 1 1002 . 1 1 88 88 LYS HB2 H 1 1.68 0.03 . 2 . . . . . . . . 5814 1 1003 . 1 1 88 88 LYS HB3 H 1 2.22 0.03 . 2 . . . . . . . . 5814 1 1004 . 1 1 88 88 LYS CG C 13 24.01 0.50 . 1 . . . . . . . . 5814 1 1005 . 1 1 88 88 LYS CD C 13 27.30 0.50 . 1 . . . . . . . . 5814 1 1006 . 1 1 88 88 LYS HD2 H 1 1.61 0.03 . 2 . . . . . . . . 5814 1 1007 . 1 1 88 88 LYS CE C 13 42.60 0.50 . 1 . . . . . . . . 5814 1 1008 . 1 1 88 88 LYS HE2 H 1 2.84 0.03 . 2 . . . . . . . . 5814 1 1009 . 1 1 88 88 LYS HE3 H 1 3.00 0.03 . 2 . . . . . . . . 5814 1 1010 . 1 1 89 89 ALA H H 1 7.77 0.03 . 1 . . . . . . . . 5814 1 1011 . 1 1 89 89 ALA N N 15 118.41 0.25 . 1 . . . . . . . . 5814 1 1012 . 1 1 89 89 ALA CA C 13 51.97 0.50 . 1 . . . . . . . . 5814 1 1013 . 1 1 89 89 ALA HA H 1 4.42 0.03 . 1 . . . . . . . . 5814 1 1014 . 1 1 89 89 ALA C C 13 174.40 0.50 . 1 . . . . . . . . 5814 1 1015 . 1 1 89 89 ALA CB C 13 22.43 0.50 . 1 . . . . . . . . 5814 1 1016 . 1 1 89 89 ALA HB1 H 1 1.22 0.03 . 1 . . . . . . . . 5814 1 1017 . 1 1 89 89 ALA HB2 H 1 1.22 0.03 . 1 . . . . . . . . 5814 1 1018 . 1 1 89 89 ALA HB3 H 1 1.22 0.03 . 1 . . . . . . . . 5814 1 1019 . 1 1 90 90 GLN H H 1 8.10 0.03 . 1 . . . . . . . . 5814 1 1020 . 1 1 90 90 GLN N N 15 115.41 0.25 . 1 . . . . . . . . 5814 1 1021 . 1 1 90 90 GLN CA C 13 54.26 0.50 . 1 . . . . . . . . 5814 1 1022 . 1 1 90 90 GLN HA H 1 5.25 0.03 . 1 . . . . . . . . 5814 1 1023 . 1 1 90 90 GLN C C 13 173.30 0.50 . 1 . . . . . . . . 5814 1 1024 . 1 1 90 90 GLN CB C 13 32.63 0.50 . 1 . . . . . . . . 5814 1 1025 . 1 1 90 90 GLN HB2 H 1 1.89 0.03 . 2 . . . . . . . . 5814 1 1026 . 1 1 90 90 GLN HB3 H 1 2.18 0.03 . 2 . . . . . . . . 5814 1 1027 . 1 1 90 90 GLN CG C 13 32.63 0.50 . 1 . . . . . . . . 5814 1 1028 . 1 1 90 90 GLN HG2 H 1 1.89 0.03 . 2 . . . . . . . . 5814 1 1029 . 1 1 90 90 GLN HG3 H 1 2.18 0.03 . 2 . . . . . . . . 5814 1 1030 . 1 1 91 91 PHE H H 1 9.13 0.03 . 1 . . . . . . . . 5814 1 1031 . 1 1 91 91 PHE N N 15 122.35 0.25 . 1 . . . . . . . . 5814 1 1032 . 1 1 91 91 PHE CA C 13 56.49 0.50 . 1 . . . . . . . . 5814 1 1033 . 1 1 91 91 PHE HA H 1 4.68 0.03 . 1 . . . . . . . . 5814 1 1034 . 1 1 91 91 PHE C C 13 173.99 0.50 . 1 . . . . . . . . 5814 1 1035 . 1 1 91 91 PHE CB C 13 41.14 0.50 . 1 . . . . . . . . 5814 1 1036 . 1 1 91 91 PHE HB2 H 1 2.59 0.03 . 2 . . . . . . . . 5814 1 1037 . 1 1 91 91 PHE HB3 H 1 3.08 0.03 . 2 . . . . . . . . 5814 1 1038 . 1 1 91 91 PHE CD1 C 13 131.52 0.50 . 2 . . . . . . . . 5814 1 1039 . 1 1 91 91 PHE HD1 H 1 6.95 0.03 . 2 . . . . . . . . 5814 1 1040 . 1 1 91 91 PHE CE1 C 13 130.83 0.50 . 2 . . . . . . . . 5814 1 1041 . 1 1 91 91 PHE HE1 H 1 7.27 0.03 . 2 . . . . . . . . 5814 1 1042 . 1 1 91 91 PHE HZ H 1 7.10 0.03 . 1 . . . . . . . . 5814 1 1043 . 1 1 92 92 ILE H H 1 8.72 0.03 . 1 . . . . . . . . 5814 1 1044 . 1 1 92 92 ILE N N 15 124.57 0.25 . 1 . . . . . . . . 5814 1 1045 . 1 1 92 92 ILE CA C 13 61.21 0.50 . 1 . . . . . . . . 5814 1 1046 . 1 1 92 92 ILE HA H 1 4.74 0.03 . 1 . . . . . . . . 5814 1 1047 . 1 1 92 92 ILE C C 13 176.12 0.50 . 1 . . . . . . . . 5814 1 1048 . 1 1 92 92 ILE CB C 13 40.22 0.50 . 1 . . . . . . . . 5814 1 1049 . 1 1 92 92 ILE HB H 1 1.85 0.03 . 1 . . . . . . . . 5814 1 1050 . 1 1 92 92 ILE CG2 C 13 17.70 0.50 . 1 . . . . . . . . 5814 1 1051 . 1 1 92 92 ILE HG21 H 1 0.96 0.03 . 1 . . . . . . . . 5814 1 1052 . 1 1 92 92 ILE HG22 H 1 0.96 0.03 . 1 . . . . . . . . 5814 1 1053 . 1 1 92 92 ILE HG23 H 1 0.96 0.03 . 1 . . . . . . . . 5814 1 1054 . 1 1 92 92 ILE CG1 C 13 27.25 0.50 . 1 . . . . . . . . 5814 1 1055 . 1 1 92 92 ILE HG12 H 1 1.25 0.03 . 2 . . . . . . . . 5814 1 1056 . 1 1 92 92 ILE HG13 H 1 1.46 0.03 . 2 . . . . . . . . 5814 1 1057 . 1 1 92 92 ILE CD1 C 13 13.59 0.50 . 1 . . . . . . . . 5814 1 1058 . 1 1 92 92 ILE HD11 H 1 0.95 0.03 . 1 . . . . . . . . 5814 1 1059 . 1 1 92 92 ILE HD12 H 1 0.95 0.03 . 1 . . . . . . . . 5814 1 1060 . 1 1 92 92 ILE HD13 H 1 0.95 0.03 . 1 . . . . . . . . 5814 1 1061 . 1 1 93 93 GLY H H 1 8.51 0.03 . 1 . . . . . . . . 5814 1 1062 . 1 1 93 93 GLY N N 15 117.45 0.25 . 1 . . . . . . . . 5814 1 1063 . 1 1 93 93 GLY CA C 13 44.66 0.50 . 1 . . . . . . . . 5814 1 1064 . 1 1 93 93 GLY HA2 H 1 3.50 0.03 . 2 . . . . . . . . 5814 1 1065 . 1 1 93 93 GLY HA3 H 1 4.48 0.03 . 2 . . . . . . . . 5814 1 1066 . 1 1 94 94 PRO CA C 13 65.61 0.50 . 1 . . . . . . . . 5814 1 1067 . 1 1 94 94 PRO HA H 1 4.33 0.03 . 1 . . . . . . . . 5814 1 1068 . 1 1 94 94 PRO C C 13 179.68 0.50 . 1 . . . . . . . . 5814 1 1069 . 1 1 94 94 PRO CB C 13 32.80 0.50 . 1 . . . . . . . . 5814 1 1070 . 1 1 94 94 PRO HB2 H 1 2.08 0.03 . 2 . . . . . . . . 5814 1 1071 . 1 1 94 94 PRO HB3 H 1 2.37 0.03 . 2 . . . . . . . . 5814 1 1072 . 1 1 94 94 PRO CG C 13 28.01 0.50 . 1 . . . . . . . . 5814 1 1073 . 1 1 94 94 PRO HG2 H 1 2.23 0.03 . 2 . . . . . . . . 5814 1 1074 . 1 1 94 94 PRO HG3 H 1 2.18 0.03 . 2 . . . . . . . . 5814 1 1075 . 1 1 94 94 PRO CD C 13 49.52 0.50 . 1 . . . . . . . . 5814 1 1076 . 1 1 94 94 PRO HD2 H 1 3.84 0.03 . 2 . . . . . . . . 5814 1 1077 . 1 1 94 94 PRO HD3 H 1 3.92 0.03 . 2 . . . . . . . . 5814 1 1078 . 1 1 95 95 LEU H H 1 7.91 0.03 . 1 . . . . . . . . 5814 1 1079 . 1 1 95 95 LEU N N 15 118.09 0.25 . 1 . . . . . . . . 5814 1 1080 . 1 1 95 95 LEU CA C 13 58.14 0.50 . 1 . . . . . . . . 5814 1 1081 . 1 1 95 95 LEU HA H 1 4.16 0.03 . 1 . . . . . . . . 5814 1 1082 . 1 1 95 95 LEU C C 13 181.07 0.50 . 1 . . . . . . . . 5814 1 1083 . 1 1 95 95 LEU CB C 13 41.18 0.50 . 1 . . . . . . . . 5814 1 1084 . 1 1 95 95 LEU HB2 H 1 1.63 0.03 . 1 . . . . . . . . 5814 1 1085 . 1 1 95 95 LEU HB3 H 1 1.81 0.03 . 1 . . . . . . . . 5814 1 1086 . 1 1 95 95 LEU CG C 13 27.64 0.50 . 1 . . . . . . . . 5814 1 1087 . 1 1 95 95 LEU CD1 C 13 24.84 0.50 . 1 . . . . . . . . 5814 1 1088 . 1 1 95 95 LEU HD11 H 1 0.99 0.03 . 1 . . . . . . . . 5814 1 1089 . 1 1 95 95 LEU HD12 H 1 0.99 0.03 . 1 . . . . . . . . 5814 1 1090 . 1 1 95 95 LEU HD13 H 1 0.99 0.03 . 1 . . . . . . . . 5814 1 1091 . 1 1 95 95 LEU CD2 C 13 23.45 0.50 . 1 . . . . . . . . 5814 1 1092 . 1 1 95 95 LEU HD21 H 1 0.92 0.03 . 1 . . . . . . . . 5814 1 1093 . 1 1 95 95 LEU HD22 H 1 0.92 0.03 . 1 . . . . . . . . 5814 1 1094 . 1 1 95 95 LEU HD23 H 1 0.92 0.03 . 1 . . . . . . . . 5814 1 1095 . 1 1 95 95 LEU HG H 1 1.73 0.03 . 1 . . . . . . . . 5814 1 1096 . 1 1 96 96 VAL H H 1 7.78 0.03 . 1 . . . . . . . . 5814 1 1097 . 1 1 96 96 VAL N N 15 116.74 0.25 . 1 . . . . . . . . 5814 1 1098 . 1 1 96 96 VAL CA C 13 63.85 0.50 . 1 . . . . . . . . 5814 1 1099 . 1 1 96 96 VAL HA H 1 3.92 0.03 . 1 . . . . . . . . 5814 1 1100 . 1 1 96 96 VAL C C 13 175.65 0.50 . 1 . . . . . . . . 5814 1 1101 . 1 1 96 96 VAL CB C 13 31.48 0.50 . 1 . . . . . . . . 5814 1 1102 . 1 1 96 96 VAL HB H 1 1.96 0.03 . 1 . . . . . . . . 5814 1 1103 . 1 1 96 96 VAL CG1 C 13 20.79 0.50 . 1 . . . . . . . . 5814 1 1104 . 1 1 96 96 VAL HG11 H 1 0.57 0.03 . 1 . . . . . . . . 5814 1 1105 . 1 1 96 96 VAL HG12 H 1 0.57 0.03 . 1 . . . . . . . . 5814 1 1106 . 1 1 96 96 VAL HG13 H 1 0.57 0.03 . 1 . . . . . . . . 5814 1 1107 . 1 1 96 96 VAL CG2 C 13 21.72 0.50 . 1 . . . . . . . . 5814 1 1108 . 1 1 96 96 VAL HG21 H 1 0.79 0.03 . 1 . . . . . . . . 5814 1 1109 . 1 1 96 96 VAL HG22 H 1 0.79 0.03 . 1 . . . . . . . . 5814 1 1110 . 1 1 96 96 VAL HG23 H 1 0.79 0.03 . 1 . . . . . . . . 5814 1 1111 . 1 1 97 97 PHE H H 1 6.95 0.03 . 1 . . . . . . . . 5814 1 1112 . 1 1 97 97 PHE N N 15 115.42 0.25 . 1 . . . . . . . . 5814 1 1113 . 1 1 97 97 PHE CA C 13 59.28 0.50 . 1 . . . . . . . . 5814 1 1114 . 1 1 97 97 PHE HA H 1 4.35 0.03 . 1 . . . . . . . . 5814 1 1115 . 1 1 97 97 PHE C C 13 175.59 0.50 . 1 . . . . . . . . 5814 1 1116 . 1 1 97 97 PHE CB C 13 40.76 0.50 . 1 . . . . . . . . 5814 1 1117 . 1 1 97 97 PHE HB2 H 1 2.83 0.03 . 2 . . . . . . . . 5814 1 1118 . 1 1 97 97 PHE HB3 H 1 3.48 0.03 . 2 . . . . . . . . 5814 1 1119 . 1 1 97 97 PHE CD1 C 13 132.11 0.50 . 2 . . . . . . . . 5814 1 1120 . 1 1 97 97 PHE HD1 H 1 7.23 0.03 . 2 . . . . . . . . 5814 1 1121 . 1 1 97 97 PHE HE1 H 1 6.98 0.03 . 2 . . . . . . . . 5814 1 1122 . 1 1 97 97 PHE HZ H 1 6.91 0.03 . 1 . . . . . . . . 5814 1 1123 . 1 1 98 98 GLY H H 1 7.89 0.03 . 1 . . . . . . . . 5814 1 1124 . 1 1 98 98 GLY N N 15 106.25 0.25 . 1 . . . . . . . . 5814 1 1125 . 1 1 98 98 GLY CA C 13 46.15 0.50 . 1 . . . . . . . . 5814 1 1126 . 1 1 98 98 GLY HA2 H 1 3.74 0.03 . 2 . . . . . . . . 5814 1 1127 . 1 1 98 98 GLY HA3 H 1 4.30 0.03 . 2 . . . . . . . . 5814 1 1128 . 1 1 98 98 GLY C C 13 174.97 0.50 . 1 . . . . . . . . 5814 1 1129 . 1 1 99 99 GLY H H 1 7.78 0.03 . 1 . . . . . . . . 5814 1 1130 . 1 1 99 99 GLY N N 15 107.36 0.25 . 1 . . . . . . . . 5814 1 1131 . 1 1 99 99 GLY CA C 13 45.74 0.50 . 1 . . . . . . . . 5814 1 1132 . 1 1 99 99 GLY HA2 H 1 3.76 0.03 . 2 . . . . . . . . 5814 1 1133 . 1 1 99 99 GLY HA3 H 1 4.22 0.03 . 2 . . . . . . . . 5814 1 1134 . 1 1 99 99 GLY C C 13 172.93 0.50 . 1 . . . . . . . . 5814 1 1135 . 1 1 100 100 MET H H 1 8.28 0.03 . 1 . . . . . . . . 5814 1 1136 . 1 1 100 100 MET N N 15 115.46 0.25 . 1 . . . . . . . . 5814 1 1137 . 1 1 100 100 MET CA C 13 54.71 0.50 . 1 . . . . . . . . 5814 1 1138 . 1 1 100 100 MET HA H 1 4.49 0.03 . 1 . . . . . . . . 5814 1 1139 . 1 1 100 100 MET C C 13 176.17 0.50 . 1 . . . . . . . . 5814 1 1140 . 1 1 100 100 MET CB C 13 29.88 0.50 . 1 . . . . . . . . 5814 1 1141 . 1 1 100 100 MET HB2 H 1 1.94 0.03 . 2 . . . . . . . . 5814 1 1142 . 1 1 100 100 MET HB3 H 1 2.25 0.03 . 2 . . . . . . . . 5814 1 1143 . 1 1 100 100 MET CG C 13 31.71 0.50 . 1 . . . . . . . . 5814 1 1144 . 1 1 100 100 MET HG2 H 1 2.85 0.03 . 2 . . . . . . . . 5814 1 1145 . 1 1 100 100 MET HG3 H 1 2.53 0.03 . 2 . . . . . . . . 5814 1 1146 . 1 1 100 100 MET CE C 13 16.10 0.50 . 1 . . . . . . . . 5814 1 1147 . 1 1 100 100 MET HE1 H 1 2.00 0.03 . 1 . . . . . . . . 5814 1 1148 . 1 1 100 100 MET HE2 H 1 2.00 0.03 . 1 . . . . . . . . 5814 1 1149 . 1 1 100 100 MET HE3 H 1 2.00 0.03 . 1 . . . . . . . . 5814 1 1150 . 1 1 101 101 ASN H H 1 7.96 0.03 . 1 . . . . . . . . 5814 1 1151 . 1 1 101 101 ASN N N 15 115.55 0.25 . 1 . . . . . . . . 5814 1 1152 . 1 1 101 101 ASN CA C 13 53.26 0.50 . 1 . . . . . . . . 5814 1 1153 . 1 1 101 101 ASN HA H 1 4.71 0.03 . 1 . . . . . . . . 5814 1 1154 . 1 1 101 101 ASN C C 13 175.02 0.50 . 1 . . . . . . . . 5814 1 1155 . 1 1 101 101 ASN CB C 13 38.38 0.50 . 1 . . . . . . . . 5814 1 1156 . 1 1 101 101 ASN HB2 H 1 2.89 0.03 . 2 . . . . . . . . 5814 1 1157 . 1 1 102 102 LEU H H 1 7.34 0.03 . 1 . . . . . . . . 5814 1 1158 . 1 1 102 102 LEU N N 15 121.78 0.25 . 1 . . . . . . . . 5814 1 1159 . 1 1 102 102 LEU CA C 13 56.64 0.50 . 1 . . . . . . . . 5814 1 1160 . 1 1 102 102 LEU HA H 1 4.69 0.03 . 1 . . . . . . . . 5814 1 1161 . 1 1 102 102 LEU C C 13 178.09 0.50 . 1 . . . . . . . . 5814 1 1162 . 1 1 102 102 LEU CB C 13 42.29 0.50 . 1 . . . . . . . . 5814 1 1163 . 1 1 102 102 LEU HB2 H 1 1.82 0.03 . 2 . . . . . . . . 5814 1 1164 . 1 1 102 102 LEU HB3 H 1 2.22 0.03 . 2 . . . . . . . . 5814 1 1165 . 1 1 102 102 LEU CG C 13 26.60 0.50 . 1 . . . . . . . . 5814 1 1166 . 1 1 102 102 LEU CD1 C 13 23.55 0.50 . 1 . . . . . . . . 5814 1 1167 . 1 1 102 102 LEU HD11 H 1 1.24 0.03 . 1 . . . . . . . . 5814 1 1168 . 1 1 102 102 LEU HD12 H 1 1.24 0.03 . 1 . . . . . . . . 5814 1 1169 . 1 1 102 102 LEU HD13 H 1 1.24 0.03 . 1 . . . . . . . . 5814 1 1170 . 1 1 102 102 LEU CD2 C 13 28.43 0.50 . 1 . . . . . . . . 5814 1 1171 . 1 1 102 102 LEU HD21 H 1 0.94 0.03 . 1 . . . . . . . . 5814 1 1172 . 1 1 102 102 LEU HD22 H 1 0.94 0.03 . 1 . . . . . . . . 5814 1 1173 . 1 1 102 102 LEU HD23 H 1 0.94 0.03 . 1 . . . . . . . . 5814 1 1174 . 1 1 102 102 LEU HG H 1 1.67 0.03 . 1 . . . . . . . . 5814 1 1175 . 1 1 103 103 THR H H 1 8.59 0.03 . 1 . . . . . . . . 5814 1 1176 . 1 1 103 103 THR N N 15 122.65 0.25 . 1 . . . . . . . . 5814 1 1177 . 1 1 103 103 THR CA C 13 59.96 0.50 . 1 . . . . . . . . 5814 1 1178 . 1 1 103 103 THR HA H 1 4.66 0.03 . 1 . . . . . . . . 5814 1 1179 . 1 1 103 103 THR C C 13 174.73 0.50 . 1 . . . . . . . . 5814 1 1180 . 1 1 103 103 THR CB C 13 71.70 0.50 . 1 . . . . . . . . 5814 1 1181 . 1 1 103 103 THR HB H 1 4.62 0.03 . 1 . . . . . . . . 5814 1 1182 . 1 1 103 103 THR CG2 C 13 22.07 0.50 . 1 . . . . . . . . 5814 1 1183 . 1 1 103 103 THR HG21 H 1 1.35 0.03 . 1 . . . . . . . . 5814 1 1184 . 1 1 103 103 THR HG22 H 1 1.35 0.03 . 1 . . . . . . . . 5814 1 1185 . 1 1 103 103 THR HG23 H 1 1.35 0.03 . 1 . . . . . . . . 5814 1 1186 . 1 1 104 104 ARG H H 1 8.47 0.03 . 1 . . . . . . . . 5814 1 1187 . 1 1 104 104 ARG N N 15 122.72 0.25 . 1 . . . . . . . . 5814 1 1188 . 1 1 104 104 ARG CA C 13 60.34 0.50 . 1 . . . . . . . . 5814 1 1189 . 1 1 104 104 ARG C C 13 178.22 0.50 . 1 . . . . . . . . 5814 1 1190 . 1 1 104 104 ARG CB C 13 30.38 0.50 . 1 . . . . . . . . 5814 1 1191 . 1 1 104 104 ARG CG C 13 27.20 0.50 . 1 . . . . . . . . 5814 1 1192 . 1 1 104 104 ARG CD C 13 43.96 0.50 . 1 . . . . . . . . 5814 1 1193 . 1 1 105 105 ASP H H 1 8.17 0.03 . 1 . . . . . . . . 5814 1 1194 . 1 1 105 105 ASP N N 15 116.52 0.25 . 1 . . . . . . . . 5814 1 1195 . 1 1 105 105 ASP CA C 13 57.05 0.50 . 1 . . . . . . . . 5814 1 1196 . 1 1 105 105 ASP HA H 1 4.29 0.03 . 1 . . . . . . . . 5814 1 1197 . 1 1 105 105 ASP C C 13 178.27 0.50 . 1 . . . . . . . . 5814 1 1198 . 1 1 105 105 ASP CB C 13 40.25 0.50 . 1 . . . . . . . . 5814 1 1199 . 1 1 105 105 ASP HB2 H 1 2.49 0.03 . 2 . . . . . . . . 5814 1 1200 . 1 1 106 106 GLU H H 1 7.72 0.03 . 1 . . . . . . . . 5814 1 1201 . 1 1 106 106 GLU N N 15 119.46 0.25 . 1 . . . . . . . . 5814 1 1202 . 1 1 106 106 GLU CA C 13 59.59 0.50 . 1 . . . . . . . . 5814 1 1203 . 1 1 106 106 GLU HA H 1 3.89 0.03 . 1 . . . . . . . . 5814 1 1204 . 1 1 106 106 GLU C C 13 179.73 0.50 . 1 . . . . . . . . 5814 1 1205 . 1 1 106 106 GLU CB C 13 30.55 0.50 . 1 . . . . . . . . 5814 1 1206 . 1 1 106 106 GLU HB2 H 1 1.95 0.03 . 2 . . . . . . . . 5814 1 1207 . 1 1 106 106 GLU HB3 H 1 2.34 0.03 . 2 . . . . . . . . 5814 1 1208 . 1 1 106 106 GLU CG C 13 37.63 0.50 . 1 . . . . . . . . 5814 1 1209 . 1 1 106 106 GLU HG2 H 1 2.15 0.03 . 2 . . . . . . . . 5814 1 1210 . 1 1 106 106 GLU HG3 H 1 2.32 0.03 . 2 . . . . . . . . 5814 1 1211 . 1 1 107 107 LEU H H 1 7.87 0.03 . 1 . . . . . . . . 5814 1 1212 . 1 1 107 107 LEU N N 15 120.32 0.25 . 1 . . . . . . . . 5814 1 1213 . 1 1 107 107 LEU CA C 13 57.91 0.50 . 1 . . . . . . . . 5814 1 1214 . 1 1 107 107 LEU HA H 1 4.06 0.03 . 1 . . . . . . . . 5814 1 1215 . 1 1 107 107 LEU C C 13 177.43 0.50 . 1 . . . . . . . . 5814 1 1216 . 1 1 107 107 LEU CB C 13 41.41 0.50 . 1 . . . . . . . . 5814 1 1217 . 1 1 107 107 LEU HB2 H 1 2.02 0.03 . 2 . . . . . . . . 5814 1 1218 . 1 1 107 107 LEU HB3 H 1 1.32 0.03 . 2 . . . . . . . . 5814 1 1219 . 1 1 107 107 LEU CG C 13 27.83 0.50 . 1 . . . . . . . . 5814 1 1220 . 1 1 107 107 LEU CD1 C 13 22.62 0.50 . 1 . . . . . . . . 5814 1 1221 . 1 1 107 107 LEU HD11 H 1 0.90 0.03 . 1 . . . . . . . . 5814 1 1222 . 1 1 107 107 LEU HD12 H 1 0.90 0.03 . 1 . . . . . . . . 5814 1 1223 . 1 1 107 107 LEU HD13 H 1 0.90 0.03 . 1 . . . . . . . . 5814 1 1224 . 1 1 107 107 LEU CD2 C 13 27.89 0.50 . 1 . . . . . . . . 5814 1 1225 . 1 1 107 107 LEU HD21 H 1 0.87 0.03 . 1 . . . . . . . . 5814 1 1226 . 1 1 107 107 LEU HD22 H 1 0.87 0.03 . 1 . . . . . . . . 5814 1 1227 . 1 1 107 107 LEU HD23 H 1 0.87 0.03 . 1 . . . . . . . . 5814 1 1228 . 1 1 108 108 GLU H H 1 8.96 0.03 . 1 . . . . . . . . 5814 1 1229 . 1 1 108 108 GLU N N 15 121.04 0.25 . 1 . . . . . . . . 5814 1 1230 . 1 1 108 108 GLU CA C 13 60.64 0.50 . 1 . . . . . . . . 5814 1 1231 . 1 1 108 108 GLU HA H 1 3.54 0.03 . 1 . . . . . . . . 5814 1 1232 . 1 1 108 108 GLU C C 13 178.18 0.50 . 1 . . . . . . . . 5814 1 1233 . 1 1 108 108 GLU CB C 13 29.56 0.50 . 1 . . . . . . . . 5814 1 1234 . 1 1 108 108 GLU HB2 H 1 1.98 0.03 . 2 . . . . . . . . 5814 1 1235 . 1 1 108 108 GLU CG C 13 37.07 0.50 . 1 . . . . . . . . 5814 1 1236 . 1 1 109 109 TRP H H 1 8.57 0.03 . 1 . . . . . . . . 5814 1 1237 . 1 1 109 109 TRP N N 15 118.44 0.25 . 1 . . . . . . . . 5814 1 1238 . 1 1 109 109 TRP CA C 13 60.91 0.50 . 1 . . . . . . . . 5814 1 1239 . 1 1 109 109 TRP HA H 1 4.04 0.03 . 1 . . . . . . . . 5814 1 1240 . 1 1 109 109 TRP C C 13 179.62 0.50 . 1 . . . . . . . . 5814 1 1241 . 1 1 109 109 TRP CB C 13 29.23 0.50 . 1 . . . . . . . . 5814 1 1242 . 1 1 109 109 TRP HB2 H 1 3.26 0.03 . 2 . . . . . . . . 5814 1 1243 . 1 1 109 109 TRP HB3 H 1 3.36 0.03 . 2 . . . . . . . . 5814 1 1244 . 1 1 109 109 TRP CD1 C 13 127.08 0.50 . 1 . . . . . . . . 5814 1 1245 . 1 1 109 109 TRP HD1 H 1 7.05 0.03 . 1 . . . . . . . . 5814 1 1246 . 1 1 109 109 TRP NE1 N 15 129.52 0.25 . 1 . . . . . . . . 5814 1 1247 . 1 1 109 109 TRP HE1 H 1 9.95 0.03 . 1 . . . . . . . . 5814 1 1248 . 1 1 109 109 TRP CE3 C 13 120.45 0.50 . 1 . . . . . . . . 5814 1 1249 . 1 1 109 109 TRP HE3 H 1 7.40 0.03 . 1 . . . . . . . . 5814 1 1250 . 1 1 109 109 TRP CZ2 C 13 114.61 0.50 . 1 . . . . . . . . 5814 1 1251 . 1 1 109 109 TRP HZ2 H 1 7.40 0.03 . 1 . . . . . . . . 5814 1 1252 . 1 1 109 109 TRP CZ3 C 13 122.09 0.50 . 1 . . . . . . . . 5814 1 1253 . 1 1 109 109 TRP HZ3 H 1 6.86 0.03 . 1 . . . . . . . . 5814 1 1254 . 1 1 109 109 TRP CH2 C 13 124.50 0.50 . 1 . . . . . . . . 5814 1 1255 . 1 1 109 109 TRP HH2 H 1 7.07 0.03 . 1 . . . . . . . . 5814 1 1256 . 1 1 110 110 LYS H H 1 8.13 0.03 . 1 . . . . . . . . 5814 1 1257 . 1 1 110 110 LYS N N 15 118.76 0.25 . 1 . . . . . . . . 5814 1 1258 . 1 1 110 110 LYS CA C 13 59.61 0.50 . 1 . . . . . . . . 5814 1 1259 . 1 1 110 110 LYS HA H 1 4.04 0.03 . 1 . . . . . . . . 5814 1 1260 . 1 1 110 110 LYS C C 13 179.41 0.50 . 1 . . . . . . . . 5814 1 1261 . 1 1 110 110 LYS CB C 13 32.14 0.50 . 1 . . . . . . . . 5814 1 1262 . 1 1 110 110 LYS HB2 H 1 1.56 0.03 . 2 . . . . . . . . 5814 1 1263 . 1 1 110 110 LYS HB3 H 1 1.80 0.03 . 2 . . . . . . . . 5814 1 1264 . 1 1 110 110 LYS CG C 13 24.88 0.50 . 1 . . . . . . . . 5814 1 1265 . 1 1 110 110 LYS HG2 H 1 1.41 0.03 . 2 . . . . . . . . 5814 1 1266 . 1 1 110 110 LYS CD C 13 28.58 0.50 . 1 . . . . . . . . 5814 1 1267 . 1 1 110 110 LYS HD2 H 1 1.30 0.03 . 2 . . . . . . . . 5814 1 1268 . 1 1 110 110 LYS HD3 H 1 1.41 0.03 . 2 . . . . . . . . 5814 1 1269 . 1 1 110 110 LYS HE2 H 1 2.78 0.03 . 2 . . . . . . . . 5814 1 1270 . 1 1 110 110 LYS HE3 H 1 2.88 0.03 . 2 . . . . . . . . 5814 1 1271 . 1 1 111 111 LEU H H 1 8.31 0.03 . 1 . . . . . . . . 5814 1 1272 . 1 1 111 111 LEU N N 15 115.57 0.25 . 1 . . . . . . . . 5814 1 1273 . 1 1 111 111 LEU CA C 13 57.38 0.50 . 1 . . . . . . . . 5814 1 1274 . 1 1 111 111 LEU HA H 1 3.91 0.03 . 1 . . . . . . . . 5814 1 1275 . 1 1 111 111 LEU C C 13 180.06 0.50 . 1 . . . . . . . . 5814 1 1276 . 1 1 111 111 LEU CB C 13 41.47 0.50 . 1 . . . . . . . . 5814 1 1277 . 1 1 111 111 LEU HB2 H 1 0.96 0.03 . 1 . . . . . . . . 5814 1 1278 . 1 1 111 111 LEU HB3 H 1 1.85 0.03 . 1 . . . . . . . . 5814 1 1279 . 1 1 111 111 LEU CG C 13 29.58 0.50 . 1 . . . . . . . . 5814 1 1280 . 1 1 111 111 LEU CD1 C 13 25.84 0.50 . 1 . . . . . . . . 5814 1 1281 . 1 1 111 111 LEU HD11 H 1 0.73 0.03 . 1 . . . . . . . . 5814 1 1282 . 1 1 111 111 LEU HD12 H 1 0.73 0.03 . 1 . . . . . . . . 5814 1 1283 . 1 1 111 111 LEU HD13 H 1 0.73 0.03 . 1 . . . . . . . . 5814 1 1284 . 1 1 111 111 LEU CD2 C 13 22.02 0.50 . 1 . . . . . . . . 5814 1 1285 . 1 1 111 111 LEU HD21 H 1 0.61 0.03 . 1 . . . . . . . . 5814 1 1286 . 1 1 111 111 LEU HD22 H 1 0.61 0.03 . 1 . . . . . . . . 5814 1 1287 . 1 1 111 111 LEU HD23 H 1 0.61 0.03 . 1 . . . . . . . . 5814 1 1288 . 1 1 112 112 SER H H 1 8.47 0.03 . 1 . . . . . . . . 5814 1 1289 . 1 1 112 112 SER N N 15 118.54 0.25 . 1 . . . . . . . . 5814 1 1290 . 1 1 112 112 SER CA C 13 61.29 0.50 . 1 . . . . . . . . 5814 1 1291 . 1 1 112 112 SER HA H 1 4.21 0.03 . 1 . . . . . . . . 5814 1 1292 . 1 1 112 112 SER C C 13 177.30 0.50 . 1 . . . . . . . . 5814 1 1293 . 1 1 112 112 SER CB C 13 62.60 0.50 . 1 . . . . . . . . 5814 1 1294 . 1 1 112 112 SER HB2 H 1 3.67 0.03 . 2 . . . . . . . . 5814 1 1295 . 1 1 112 112 SER HB3 H 1 3.75 0.03 . 2 . . . . . . . . 5814 1 1296 . 1 1 113 113 GLU H H 1 7.46 0.03 . 1 . . . . . . . . 5814 1 1297 . 1 1 113 113 GLU N N 15 122.72 0.25 . 1 . . . . . . . . 5814 1 1298 . 1 1 113 113 GLU CA C 13 59.15 0.50 . 1 . . . . . . . . 5814 1 1299 . 1 1 113 113 GLU HA H 1 3.90 0.03 . 1 . . . . . . . . 5814 1 1300 . 1 1 113 113 GLU C C 13 178.09 0.50 . 1 . . . . . . . . 5814 1 1301 . 1 1 113 113 GLU CB C 13 29.74 0.50 . 1 . . . . . . . . 5814 1 1302 . 1 1 113 113 GLU HB2 H 1 2.02 0.03 . 2 . . . . . . . . 5814 1 1303 . 1 1 113 113 GLU HB3 H 1 2.21 0.03 . 2 . . . . . . . . 5814 1 1304 . 1 1 113 113 GLU CG C 13 37.03 0.50 . 1 . . . . . . . . 5814 1 1305 . 1 1 113 113 GLU HG2 H 1 2.29 0.03 . 2 . . . . . . . . 5814 1 1306 . 1 1 113 113 GLU HG3 H 1 2.00 0.03 . 2 . . . . . . . . 5814 1 1307 . 1 1 114 114 SER H H 1 7.53 0.03 . 1 . . . . . . . . 5814 1 1308 . 1 1 114 114 SER N N 15 110.94 0.25 . 1 . . . . . . . . 5814 1 1309 . 1 1 114 114 SER CA C 13 60.15 0.50 . 1 . . . . . . . . 5814 1 1310 . 1 1 114 114 SER HA H 1 4.24 0.03 . 1 . . . . . . . . 5814 1 1311 . 1 1 114 114 SER C C 13 173.79 0.50 . 1 . . . . . . . . 5814 1 1312 . 1 1 114 114 SER CB C 13 65.77 0.50 . 1 . . . . . . . . 5814 1 1313 . 1 1 114 114 SER HB2 H 1 3.84 0.03 . 2 . . . . . . . . 5814 1 1314 . 1 1 115 115 GLY H H 1 7.27 0.03 . 1 . . . . . . . . 5814 1 1315 . 1 1 115 115 GLY N N 15 107.07 0.25 . 1 . . . . . . . . 5814 1 1316 . 1 1 115 115 GLY CA C 13 44.40 0.50 . 1 . . . . . . . . 5814 1 1317 . 1 1 115 115 GLY HA2 H 1 3.39 0.03 . 2 . . . . . . . . 5814 1 1318 . 1 1 115 115 GLY HA3 H 1 4.13 0.03 . 2 . . . . . . . . 5814 1 1319 . 1 1 115 115 GLY C C 13 173.71 0.50 . 1 . . . . . . . . 5814 1 1320 . 1 1 116 116 ALA H H 1 6.63 0.03 . 1 . . . . . . . . 5814 1 1321 . 1 1 116 116 ALA N N 15 119.26 0.25 . 1 . . . . . . . . 5814 1 1322 . 1 1 116 116 ALA CA C 13 53.40 0.50 . 1 . . . . . . . . 5814 1 1323 . 1 1 116 116 ALA HA H 1 1.50 0.03 . 1 . . . . . . . . 5814 1 1324 . 1 1 116 116 ALA C C 13 175.15 0.50 . 1 . . . . . . . . 5814 1 1325 . 1 1 116 116 ALA CB C 13 20.56 0.50 . 1 . . . . . . . . 5814 1 1326 . 1 1 116 116 ALA HB1 H 1 0.62 0.03 . 1 . . . . . . . . 5814 1 1327 . 1 1 116 116 ALA HB2 H 1 0.62 0.03 . 1 . . . . . . . . 5814 1 1328 . 1 1 116 116 ALA HB3 H 1 0.62 0.03 . 1 . . . . . . . . 5814 1 1329 . 1 1 117 117 ILE H H 1 5.86 0.03 . 1 . . . . . . . . 5814 1 1330 . 1 1 117 117 ILE N N 15 102.78 0.25 . 1 . . . . . . . . 5814 1 1331 . 1 1 117 117 ILE CA C 13 57.27 0.50 . 1 . . . . . . . . 5814 1 1332 . 1 1 117 117 ILE HA H 1 3.91 0.03 . 1 . . . . . . . . 5814 1 1333 . 1 1 117 117 ILE C C 13 174.62 0.50 . 1 . . . . . . . . 5814 1 1334 . 1 1 117 117 ILE CB C 13 41.42 0.50 . 1 . . . . . . . . 5814 1 1335 . 1 1 117 117 ILE HB H 1 0.55 0.03 . 1 . . . . . . . . 5814 1 1336 . 1 1 117 117 ILE CG2 C 13 18.53 0.50 . 1 . . . . . . . . 5814 1 1337 . 1 1 117 117 ILE HG21 H 1 0.02 0.03 . 1 . . . . . . . . 5814 1 1338 . 1 1 117 117 ILE HG22 H 1 0.02 0.03 . 1 . . . . . . . . 5814 1 1339 . 1 1 117 117 ILE HG23 H 1 0.02 0.03 . 1 . . . . . . . . 5814 1 1340 . 1 1 117 117 ILE CG1 C 13 25.60 0.50 . 1 . . . . . . . . 5814 1 1341 . 1 1 117 117 ILE HG12 H 1 0.17 0.03 . 2 . . . . . . . . 5814 1 1342 . 1 1 117 117 ILE HG13 H 1 0.64 0.03 . 2 . . . . . . . . 5814 1 1343 . 1 1 117 117 ILE CD1 C 13 14.07 0.50 . 1 . . . . . . . . 5814 1 1344 . 1 1 117 117 ILE HD11 H 1 0.37 0.03 . 1 . . . . . . . . 5814 1 1345 . 1 1 117 117 ILE HD12 H 1 0.37 0.03 . 1 . . . . . . . . 5814 1 1346 . 1 1 117 117 ILE HD13 H 1 0.37 0.03 . 1 . . . . . . . . 5814 1 1347 . 1 1 118 118 MET H H 1 8.18 0.03 . 1 . . . . . . . . 5814 1 1348 . 1 1 118 118 MET N N 15 123.69 0.25 . 1 . . . . . . . . 5814 1 1349 . 1 1 118 118 MET CA C 13 53.77 0.50 . 1 . . . . . . . . 5814 1 1350 . 1 1 118 118 MET HA H 1 4.54 0.03 . 1 . . . . . . . . 5814 1 1351 . 1 1 118 118 MET C C 13 174.94 0.50 . 1 . . . . . . . . 5814 1 1352 . 1 1 118 118 MET CB C 13 31.89 0.50 . 1 . . . . . . . . 5814 1 1353 . 1 1 118 118 MET HB2 H 1 2.39 0.03 . 2 . . . . . . . . 5814 1 1354 . 1 1 118 118 MET HB3 H 1 2.51 0.03 . 2 . . . . . . . . 5814 1 1355 . 1 1 118 118 MET HG2 H 1 1.91 0.03 . 2 . . . . . . . . 5814 1 1356 . 1 1 118 118 MET HG3 H 1 2.00 0.03 . 2 . . . . . . . . 5814 1 1357 . 1 1 119 119 THR H H 1 7.63 0.03 . 1 . . . . . . . . 5814 1 1358 . 1 1 119 119 THR N N 15 117.02 0.25 . 1 . . . . . . . . 5814 1 1359 . 1 1 119 119 THR CA C 13 61.27 0.50 . 1 . . . . . . . . 5814 1 1360 . 1 1 119 119 THR HA H 1 4.55 0.03 . 1 . . . . . . . . 5814 1 1361 . 1 1 119 119 THR C C 13 173.21 0.50 . 1 . . . . . . . . 5814 1 1362 . 1 1 119 119 THR CB C 13 69.80 0.50 . 1 . . . . . . . . 5814 1 1363 . 1 1 119 119 THR HB H 1 3.89 0.03 . 1 . . . . . . . . 5814 1 1364 . 1 1 119 119 THR CG2 C 13 19.79 0.50 . 1 . . . . . . . . 5814 1 1365 . 1 1 119 119 THR HG21 H 1 1.08 0.03 . 1 . . . . . . . . 5814 1 1366 . 1 1 119 119 THR HG22 H 1 1.08 0.03 . 1 . . . . . . . . 5814 1 1367 . 1 1 119 119 THR HG23 H 1 1.08 0.03 . 1 . . . . . . . . 5814 1 1368 . 1 1 120 120 ASP H H 1 8.29 0.03 . 1 . . . . . . . . 5814 1 1369 . 1 1 120 120 ASP N N 15 124.60 0.25 . 1 . . . . . . . . 5814 1 1370 . 1 1 120 120 ASP CA C 13 53.55 0.50 . 1 . . . . . . . . 5814 1 1371 . 1 1 120 120 ASP HA H 1 4.73 0.03 . 1 . . . . . . . . 5814 1 1372 . 1 1 120 120 ASP C C 13 177.17 0.50 . 1 . . . . . . . . 5814 1 1373 . 1 1 120 120 ASP CB C 13 40.64 0.50 . 1 . . . . . . . . 5814 1 1374 . 1 1 120 120 ASP HB2 H 1 2.66 0.03 . 2 . . . . . . . . 5814 1 1375 . 1 1 120 120 ASP HB3 H 1 2.87 0.03 . 2 . . . . . . . . 5814 1 1376 . 1 1 121 121 LEU H H 1 8.61 0.03 . 1 . . . . . . . . 5814 1 1377 . 1 1 121 121 LEU N N 15 124.03 0.25 . 1 . . . . . . . . 5814 1 1378 . 1 1 121 121 LEU CA C 13 55.98 0.50 . 1 . . . . . . . . 5814 1 1379 . 1 1 121 121 LEU HA H 1 4.22 0.03 . 1 . . . . . . . . 5814 1 1380 . 1 1 121 121 LEU C C 13 177.59 0.50 . 1 . . . . . . . . 5814 1 1381 . 1 1 121 121 LEU CB C 13 42.82 0.50 . 1 . . . . . . . . 5814 1 1382 . 1 1 121 121 LEU HB2 H 1 1.48 0.03 . 2 . . . . . . . . 5814 1 1383 . 1 1 121 121 LEU HB3 H 1 1.96 0.03 . 2 . . . . . . . . 5814 1 1384 . 1 1 121 121 LEU CD1 C 13 26.91 0.50 . 1 . . . . . . . . 5814 1 1385 . 1 1 121 121 LEU HD11 H 1 0.97 0.03 . 1 . . . . . . . . 5814 1 1386 . 1 1 121 121 LEU HD12 H 1 0.97 0.03 . 1 . . . . . . . . 5814 1 1387 . 1 1 121 121 LEU HD13 H 1 0.97 0.03 . 1 . . . . . . . . 5814 1 1388 . 1 1 121 121 LEU CD2 C 13 23.03 0.50 . 1 . . . . . . . . 5814 1 1389 . 1 1 121 121 LEU HD21 H 1 0.86 0.03 . 1 . . . . . . . . 5814 1 1390 . 1 1 121 121 LEU HD22 H 1 0.86 0.03 . 1 . . . . . . . . 5814 1 1391 . 1 1 121 121 LEU HD23 H 1 0.86 0.03 . 1 . . . . . . . . 5814 1 1392 . 1 1 122 122 GLU H H 1 8.52 0.03 . 1 . . . . . . . . 5814 1 1393 . 1 1 122 122 GLU N N 15 119.54 0.25 . 1 . . . . . . . . 5814 1 1394 . 1 1 122 122 GLU CA C 13 57.29 0.50 . 1 . . . . . . . . 5814 1 1395 . 1 1 122 122 GLU HA H 1 4.26 0.03 . 1 . . . . . . . . 5814 1 1396 . 1 1 122 122 GLU C C 13 176.26 0.50 . 1 . . . . . . . . 5814 1 1397 . 1 1 122 122 GLU CB C 13 31.29 0.50 . 1 . . . . . . . . 5814 1 1398 . 1 1 122 122 GLU HB2 H 1 1.93 0.03 . 2 . . . . . . . . 5814 1 1399 . 1 1 122 122 GLU HB3 H 1 2.09 0.03 . 2 . . . . . . . . 5814 1 1400 . 1 1 122 122 GLU CG C 13 36.87 0.50 . 1 . . . . . . . . 5814 1 1401 . 1 1 123 123 GLU H H 1 7.63 0.03 . 1 . . . . . . . . 5814 1 1402 . 1 1 123 123 GLU N N 15 116.71 0.25 . 1 . . . . . . . . 5814 1 1403 . 1 1 123 123 GLU CA C 13 54.78 0.50 . 1 . . . . . . . . 5814 1 1404 . 1 1 123 123 GLU HA H 1 4.03 0.03 . 1 . . . . . . . . 5814 1 1405 . 1 1 123 123 GLU C C 13 174.33 0.50 . 1 . . . . . . . . 5814 1 1406 . 1 1 123 123 GLU CB C 13 31.75 0.50 . 1 . . . . . . . . 5814 1 1407 . 1 1 123 123 GLU HB2 H 1 1.69 0.03 . 2 . . . . . . . . 5814 1 1408 . 1 1 123 123 GLU HB3 H 1 1.84 0.03 . 2 . . . . . . . . 5814 1 1409 . 1 1 123 123 GLU CG C 13 35.53 0.50 . 1 . . . . . . . . 5814 1 1410 . 1 1 123 123 GLU HG2 H 1 1.91 0.03 . 2 . . . . . . . . 5814 1 1411 . 1 1 123 123 GLU HG3 H 1 1.98 0.03 . 2 . . . . . . . . 5814 1 1412 . 1 1 124 124 ASN H H 1 7.93 0.03 . 1 . . . . . . . . 5814 1 1413 . 1 1 124 124 ASN N N 15 121.08 0.25 . 1 . . . . . . . . 5814 1 1414 . 1 1 124 124 ASN CA C 13 50.72 0.50 . 1 . . . . . . . . 5814 1 1415 . 1 1 124 124 ASN CB C 13 38.78 0.50 . 1 . . . . . . . . 5814 1 1416 . 1 1 125 125 PRO CA C 13 63.33 0.50 . 1 . . . . . . . . 5814 1 1417 . 1 1 125 125 PRO HA H 1 4.27 0.03 . 1 . . . . . . . . 5814 1 1418 . 1 1 125 125 PRO C C 13 176.73 0.50 . 1 . . . . . . . . 5814 1 1419 . 1 1 125 125 PRO CB C 13 32.22 0.50 . 1 . . . . . . . . 5814 1 1420 . 1 1 125 125 PRO HB2 H 1 1.90 0.03 . 1 . . . . . . . . 5814 1 1421 . 1 1 125 125 PRO HB3 H 1 2.23 0.03 . 1 . . . . . . . . 5814 1 1422 . 1 1 125 125 PRO CG C 13 27.26 0.50 . 1 . . . . . . . . 5814 1 1423 . 1 1 125 125 PRO CD C 13 50.63 0.50 . 1 . . . . . . . . 5814 1 1424 . 1 1 126 126 LYS H H 1 7.90 0.03 . 1 . . . . . . . . 5814 1 1425 . 1 1 126 126 LYS N N 15 120.61 0.25 . 1 . . . . . . . . 5814 1 1426 . 1 1 126 126 LYS CA C 13 55.81 0.50 . 1 . . . . . . . . 5814 1 1427 . 1 1 126 126 LYS HA H 1 4.23 0.03 . 1 . . . . . . . . 5814 1 1428 . 1 1 126 126 LYS C C 13 175.83 0.50 . 1 . . . . . . . . 5814 1 1429 . 1 1 126 126 LYS CB C 13 32.78 0.50 . 1 . . . . . . . . 5814 1 1430 . 1 1 126 126 LYS HB3 H 1 1.65 0.03 . 2 . . . . . . . . 5814 1 1431 . 1 1 126 126 LYS CG C 13 24.75 0.50 . 1 . . . . . . . . 5814 1 1432 . 1 1 126 126 LYS CD C 13 29.06 0.50 . 1 . . . . . . . . 5814 1 1433 . 1 1 126 126 LYS CE C 13 42.45 0.50 . 1 . . . . . . . . 5814 1 1434 . 1 1 127 127 LYS H H 1 8.07 0.03 . 1 . . . . . . . . 5814 1 1435 . 1 1 127 127 LYS N N 15 124.65 0.25 . 1 . . . . . . . . 5814 1 1436 . 1 1 127 127 LYS CA C 13 54.42 0.50 . 1 . . . . . . . . 5814 1 1437 . 1 1 127 127 LYS HA H 1 4.49 0.03 . 1 . . . . . . . . 5814 1 1438 . 1 1 127 127 LYS CB C 13 32.68 0.50 . 1 . . . . . . . . 5814 1 1439 . 1 1 128 128 PRO CA C 13 63.26 0.50 . 1 . . . . . . . . 5814 1 1440 . 1 1 128 128 PRO C C 13 177.00 0.50 . 1 . . . . . . . . 5814 1 1441 . 1 1 128 128 PRO CB C 13 32.14 0.50 . 1 . . . . . . . . 5814 1 1442 . 1 1 128 128 PRO HB3 H 1 2.85 0.03 . 2 . . . . . . . . 5814 1 1443 . 1 1 128 128 PRO CG C 13 27.58 0.50 . 1 . . . . . . . . 5814 1 1444 . 1 1 128 128 PRO CD C 13 50.77 0.50 . 1 . . . . . . . . 5814 1 1445 . 1 1 129 129 ILE H H 1 8.09 0.03 . 1 . . . . . . . . 5814 1 1446 . 1 1 129 129 ILE N N 15 120.47 0.25 . 1 . . . . . . . . 5814 1 1447 . 1 1 129 129 ILE CA C 13 61.42 0.50 . 1 . . . . . . . . 5814 1 1448 . 1 1 129 129 ILE HA H 1 4.10 0.03 . 1 . . . . . . . . 5814 1 1449 . 1 1 129 129 ILE C C 13 176.42 0.50 . 1 . . . . . . . . 5814 1 1450 . 1 1 129 129 ILE CB C 13 38.89 0.50 . 1 . . . . . . . . 5814 1 1451 . 1 1 129 129 ILE HB H 1 1.84 0.03 . 1 . . . . . . . . 5814 1 1452 . 1 1 129 129 ILE CG2 C 13 17.75 0.50 . 1 . . . . . . . . 5814 1 1453 . 1 1 129 129 ILE HG21 H 1 0.91 0.03 . 1 . . . . . . . . 5814 1 1454 . 1 1 129 129 ILE HG22 H 1 0.91 0.03 . 1 . . . . . . . . 5814 1 1455 . 1 1 129 129 ILE HG23 H 1 0.91 0.03 . 1 . . . . . . . . 5814 1 1456 . 1 1 129 129 ILE CG1 C 13 27.58 0.50 . 1 . . . . . . . . 5814 1 1457 . 1 1 129 129 ILE HG12 H 1 1.48 0.03 . 2 . . . . . . . . 5814 1 1458 . 1 1 129 129 ILE HG13 H 1 1.23 0.03 . 2 . . . . . . . . 5814 1 1459 . 1 1 129 129 ILE CD1 C 13 13.20 0.50 . 1 . . . . . . . . 5814 1 1460 . 1 1 129 129 ILE HD11 H 1 0.86 0.03 . 1 . . . . . . . . 5814 1 1461 . 1 1 129 129 ILE HD12 H 1 0.86 0.03 . 1 . . . . . . . . 5814 1 1462 . 1 1 129 129 ILE HD13 H 1 0.86 0.03 . 1 . . . . . . . . 5814 1 1463 . 1 1 130 130 GLU H H 1 8.42 0.03 . 1 . . . . . . . . 5814 1 1464 . 1 1 130 130 GLU N N 15 123.94 0.25 . 1 . . . . . . . . 5814 1 1465 . 1 1 130 130 GLU CA C 13 57.01 0.50 . 1 . . . . . . . . 5814 1 1466 . 1 1 130 130 GLU HA H 1 4.25 0.03 . 1 . . . . . . . . 5814 1 1467 . 1 1 130 130 GLU C C 13 176.32 0.50 . 1 . . . . . . . . 5814 1 1468 . 1 1 130 130 GLU CB C 13 30.57 0.50 . 1 . . . . . . . . 5814 1 1469 . 1 1 130 130 GLU HB2 H 1 1.97 0.03 . 2 . . . . . . . . 5814 1 1470 . 1 1 130 130 GLU CG C 13 36.53 0.50 . 1 . . . . . . . . 5814 1 1471 . 1 1 131 131 ASP H H 1 8.23 0.03 . 1 . . . . . . . . 5814 1 1472 . 1 1 131 131 ASP N N 15 121.46 0.25 . 1 . . . . . . . . 5814 1 1473 . 1 1 131 131 ASP CA C 13 54.85 0.50 . 1 . . . . . . . . 5814 1 1474 . 1 1 131 131 ASP HA H 1 4.57 0.03 . 1 . . . . . . . . 5814 1 1475 . 1 1 131 131 ASP C C 13 177.01 0.50 . 1 . . . . . . . . 5814 1 1476 . 1 1 131 131 ASP CB C 13 41.49 0.50 . 1 . . . . . . . . 5814 1 1477 . 1 1 131 131 ASP HB2 H 1 2.64 0.03 . 2 . . . . . . . . 5814 1 1478 . 1 1 132 132 VAL H H 1 8.00 0.03 . 1 . . . . . . . . 5814 1 1479 . 1 1 132 132 VAL N N 15 120.17 0.25 . 1 . . . . . . . . 5814 1 1480 . 1 1 132 132 VAL CA C 13 63.32 0.50 . 1 . . . . . . . . 5814 1 1481 . 1 1 132 132 VAL HA H 1 4.04 0.03 . 1 . . . . . . . . 5814 1 1482 . 1 1 132 132 VAL C C 13 176.75 0.50 . 1 . . . . . . . . 5814 1 1483 . 1 1 132 132 VAL CB C 13 32.46 0.50 . 1 . . . . . . . . 5814 1 1484 . 1 1 132 132 VAL HB H 1 2.19 0.03 . 1 . . . . . . . . 5814 1 1485 . 1 1 132 132 VAL CG1 C 13 21.07 0.50 . 1 . . . . . . . . 5814 1 1486 . 1 1 132 132 VAL HG11 H 1 0.94 0.03 . 1 . . . . . . . . 5814 1 1487 . 1 1 132 132 VAL HG12 H 1 0.94 0.03 . 1 . . . . . . . . 5814 1 1488 . 1 1 132 132 VAL HG13 H 1 0.94 0.03 . 1 . . . . . . . . 5814 1 1489 . 1 1 132 132 VAL CG2 C 13 21.10 0.50 . 1 . . . . . . . . 5814 1 1490 . 1 1 132 132 VAL HG21 H 1 0.94 0.03 . 1 . . . . . . . . 5814 1 1491 . 1 1 132 132 VAL HG22 H 1 0.94 0.03 . 1 . . . . . . . . 5814 1 1492 . 1 1 132 132 VAL HG23 H 1 0.94 0.03 . 1 . . . . . . . . 5814 1 1493 . 1 1 133 133 LEU H H 1 8.17 0.03 . 1 . . . . . . . . 5814 1 1494 . 1 1 133 133 LEU N N 15 123.34 0.25 . 1 . . . . . . . . 5814 1 1495 . 1 1 133 133 LEU CA C 13 56.02 0.50 . 1 . . . . . . . . 5814 1 1496 . 1 1 133 133 LEU HA H 1 4.29 0.03 . 1 . . . . . . . . 5814 1 1497 . 1 1 133 133 LEU C C 13 178.07 0.50 . 1 . . . . . . . . 5814 1 1498 . 1 1 133 133 LEU CB C 13 42.05 0.50 . 1 . . . . . . . . 5814 1 1499 . 1 1 133 133 LEU HB2 H 1 1.64 0.03 . 2 . . . . . . . . 5814 1 1500 . 1 1 133 133 LEU CG C 13 27.21 0.50 . 1 . . . . . . . . 5814 1 1501 . 1 1 133 133 LEU CD1 C 13 23.57 0.50 . 1 . . . . . . . . 5814 1 1502 . 1 1 133 133 LEU CD2 C 13 24.93 0.50 . 1 . . . . . . . . 5814 1 1503 . 1 1 134 134 LEU H H 1 8.02 0.03 . 1 . . . . . . . . 5814 1 1504 . 1 1 134 134 LEU N N 15 121.36 0.25 . 1 . . . . . . . . 5814 1 1505 . 1 1 134 134 LEU HA H 1 4.30 0.03 . 1 . . . . . . . . 5814 1 1506 . 1 1 135 135 SER C C 13 175.11 0.50 . 1 . . . . . . . . 5814 1 1507 . 1 1 135 135 SER CA C 13 59.35 0.50 . 1 . . . . . . . . 5814 1 1508 . 1 1 135 135 SER CB C 13 63.80 0.50 . 1 . . . . . . . . 5814 1 1509 . 1 1 135 135 SER HA H 1 4.42 0.03 . 1 . . . . . . . . 5814 1 1510 . 1 1 135 135 SER HB2 H 1 3.93 0.03 . 1 . . . . . . . . 5814 1 1511 . 1 1 137 137 VAL HA H 1 4.42 0.03 . 1 . . . . . . . . 5814 1 1512 . 1 1 137 137 VAL H H 1 7.87 0.03 . 1 . . . . . . . . 5814 1 1513 . 1 1 137 137 VAL N N 15 120.86 0.25 . 1 . . . . . . . . 5814 1 1514 . 1 1 147 147 SER C C 13 174.55 0.50 . 1 . . . . . . . . 5814 1 1515 . 1 1 147 147 SER CA C 13 58.78 0.50 . 1 . . . . . . . . 5814 1 1516 . 1 1 147 147 SER CB C 13 64.01 0.50 . 1 . . . . . . . . 5814 1 1517 . 1 1 147 147 SER HB2 H 1 4.15 0.03 . 1 . . . . . . . . 5814 1 1518 . 1 1 148 148 ASP C C 13 176.44 0.50 . 1 . . . . . . . . 5814 1 1519 . 1 1 148 148 ASP CA C 13 54.83 0.50 . 1 . . . . . . . . 5814 1 1520 . 1 1 148 148 ASP CB C 13 41.40 0.50 . 1 . . . . . . . . 5814 1 1521 . 1 1 148 148 ASP HA H 1 4.67 0.03 . 1 . . . . . . . . 5814 1 1522 . 1 1 148 148 ASP HB2 H 1 2.71 0.03 . 1 . . . . . . . . 5814 1 1523 . 1 1 148 148 ASP H H 1 8.26 0.03 . 1 . . . . . . . . 5814 1 1524 . 1 1 148 148 ASP N N 15 121.69 0.25 . 1 . . . . . . . . 5814 1 1525 . 1 1 149 149 SER C C 13 174.65 0.50 . 1 . . . . . . . . 5814 1 1526 . 1 1 149 149 SER CA C 13 58.59 0.50 . 1 . . . . . . . . 5814 1 1527 . 1 1 149 149 SER CB C 13 64.22 0.50 . 1 . . . . . . . . 5814 1 1528 . 1 1 149 149 SER HA H 1 4.48 0.03 . 1 . . . . . . . . 5814 1 1529 . 1 1 149 149 SER HB2 H 1 3.87 0.03 . 1 . . . . . . . . 5814 1 1530 . 1 1 149 149 SER H H 1 8.12 0.03 . 1 . . . . . . . . 5814 1 1531 . 1 1 149 149 SER N N 15 115.05 0.25 . 1 . . . . . . . . 5814 1 1532 . 1 1 150 150 GLU C C 13 176.82 0.50 . 1 . . . . . . . . 5814 1 1533 . 1 1 150 150 GLU CA C 13 56.91 0.50 . 1 . . . . . . . . 5814 1 1534 . 1 1 150 150 GLU CB C 13 30.59 0.50 . 1 . . . . . . . . 5814 1 1535 . 1 1 150 150 GLU CG C 13 36.52 0.50 . 1 . . . . . . . . 5814 1 1536 . 1 1 150 150 GLU HA H 1 4.34 0.03 . 1 . . . . . . . . 5814 1 1537 . 1 1 150 150 GLU HB2 H 1 2.03 0.03 . 1 . . . . . . . . 5814 1 1538 . 1 1 150 150 GLU H H 1 8.38 0.03 . 1 . . . . . . . . 5814 1 1539 . 1 1 150 150 GLU N N 15 122.40 0.25 . 1 . . . . . . . . 5814 1 1540 . 1 1 151 151 GLY C C 13 173.03 0.50 . 1 . . . . . . . . 5814 1 1541 . 1 1 151 151 GLY CA C 13 45.38 0.50 . 1 . . . . . . . . 5814 1 1542 . 1 1 151 151 GLY HA2 H 1 3.97 0.03 . 1 . . . . . . . . 5814 1 1543 . 1 1 151 151 GLY HA3 H 1 3.97 0.03 . 1 . . . . . . . . 5814 1 1544 . 1 1 151 151 GLY H H 1 8.26 0.03 . 1 . . . . . . . . 5814 1 1545 . 1 1 151 151 GLY N N 15 109.74 0.25 . 1 . . . . . . . . 5814 1 1546 . 1 1 152 152 ASP CA C 13 56.08 0.50 . 1 . . . . . . . . 5814 1 1547 . 1 1 152 152 ASP CB C 13 42.58 0.50 . 1 . . . . . . . . 5814 1 1548 . 1 1 152 152 ASP HA H 1 4.42 0.03 . 1 . . . . . . . . 5814 1 1549 . 1 1 152 152 ASP H H 1 7.88 0.03 . 1 . . . . . . . . 5814 1 1550 . 1 1 152 152 ASP N N 15 125.78 0.25 . 1 . . . . . . . . 5814 1 stop_ save_