data_5000 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 5000 _Entry.Title ; 1H, 15N and 13C Resonance Assignments for the N-Terminal Domain of the MAPK Phosphatase PAC-1 ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2000-04-26 _Entry.Accession_date 2000-04-26 _Entry.Last_release_date 2002-05-09 _Entry.Original_release_date 2002-05-09 _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 Gaurav Chaturvedi . . . 5000 2 Lei Zheng . . . 5000 3 Ming-Ming Zhou . . . 5000 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 5000 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '1H chemical shifts' 685 5000 '13C chemical shifts' 300 5000 '15N chemical shifts' 112 5000 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 . . 2002-05-09 2001-04-26 original author . 5000 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 5000 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID . _Citation.Full_citation . _Citation.Title ; Letter to the Editor: 1H, 13C and 15N Resonance Assignments of the Catalytic Domain of the MAPK Phosphatase, PAC-1 ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'J. Biomol. NMR' _Citation.Journal_name_full 'Journal of Biomolecular NMR' _Citation.Journal_volume 25 _Citation.Journal_issue 1 _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 79 _Citation.Page_last 80 _Citation.Year 2003 _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 Gaurav Chaturvedi . . . 5000 1 2 Amjad Farooq . . . 5000 1 3 Lei Zheng . . . 5000 1 4 Ming-Ming Zhou . . . 5000 1 stop_ loop_ _Citation_keyword.Keyword _Citation_keyword.Entry_ID _Citation_keyword.Citation_ID 'MAPK Phosphatases' 5000 1 NMR 5000 1 'Resonance Assignment' 5000 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_system_PAC-1 _Assembly.Sf_category assembly _Assembly.Sf_framecode system_PAC-1 _Assembly.Entry_ID 5000 _Assembly.ID 1 _Assembly.Name 'C-Terminal Domain of PAC-1' _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 'not reported' _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 5000 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 'PAC-1 C-Terminal Domain' 1 $PAC-1 . . . native . . . . . 5000 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 PAC-1' system 5000 1 PAC-1 abbreviation 5000 1 stop_ loop_ _Assembly_bio_function.Biological_function _Assembly_bio_function.Entry_ID _Assembly_bio_function.Assembly_ID 'MAP Kinase Phosphatase' 5000 1 'Catalytic domain involved in the inactivation of the MAP kinase ERK2' 5000 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_PAC-1 _Entity.Sf_category entity _Entity.Sf_framecode PAC-1 _Entity.Entry_ID 5000 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name 'MAP Kinase Phosphatase PAC-1' _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 ; VEILPYLFLGSCSHSSDLQG LQACGITAVLNVSASCPNHF EGLFRYKSIPVEDNQMVEIS AWFQEAIGFIDWVKNSGGRV LVHSQAGISRSATICLAYLM QSRRVRLDEAFDFVKQRRGV ISPNFSFMGQLLQFETQVLC H ; _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 141 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic . _Entity.Thiol_state 'not reported' _Entity.Src_method . _Entity.Parent_entity_ID 1 _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 15100 _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 BMRB 5552 . Pac1 . . . . . 100.00 145 100.00 100.00 2.01e-98 . . . . 5000 1 2 no PDB 1M3G . "Solution Structure Of The Catalytic Domain Of Mapk Phosphatase Pac-1: Insights Into Substrate-Induced Enzymatic Activation" . . . . . 100.00 145 100.00 100.00 2.01e-98 . . . . 5000 1 3 no GB AAA50779 . "protein tyrosine phosphatase [Homo sapiens]" . . . . . 100.00 314 99.29 99.29 4.21e-96 . . . . 5000 1 4 no GB AAA86112 . "dual-specific phosphoprotein phosphatase [Homo sapiens]" . . . . . 100.00 314 99.29 99.29 4.21e-96 . . . . 5000 1 5 no GB AAH07771 . "Dual specificity phosphatase 2 [Homo sapiens]" . . . . . 100.00 314 99.29 99.29 4.21e-96 . . . . 5000 1 6 no GB AAY24222 . "unknown [Homo sapiens]" . . . . . 100.00 314 99.29 99.29 4.21e-96 . . . . 5000 1 7 no GB ACE87048 . "dual specificity phosphatase 2 protein [synthetic construct]" . . . . . 100.00 314 99.29 99.29 4.21e-96 . . . . 5000 1 8 no REF NP_004409 . "dual specificity protein phosphatase 2 [Homo sapiens]" . . . . . 100.00 314 99.29 99.29 4.21e-96 . . . . 5000 1 9 no REF XP_001111118 . "PREDICTED: dual specificity protein phosphatase 2-like, partial [Macaca mulatta]" . . . . . 76.60 251 99.07 99.07 9.28e-70 . . . . 5000 1 10 no REF XP_002757414 . "PREDICTED: dual specificity protein phosphatase 2 [Callithrix jacchus]" . . . . . 100.00 314 97.87 98.58 1.59e-94 . . . . 5000 1 11 no REF XP_002811694 . "PREDICTED: LOW QUALITY PROTEIN: dual specificity protein phosphatase 2 [Pongo abelii]" . . . . . 100.00 315 98.58 98.58 1.69e-95 . . . . 5000 1 12 no REF XP_003281084 . "PREDICTED: dual specificity protein phosphatase 2 [Nomascus leucogenys]" . . . . . 100.00 200 98.58 99.29 2.95e-96 . . . . 5000 1 13 no SP Q05923 . "RecName: Full=Dual specificity protein phosphatase 2; AltName: Full=Dual specificity protein phosphatase PAC-1 [Homo sapiens]" . . . . . 100.00 314 99.29 99.29 4.21e-96 . . . . 5000 1 stop_ loop_ _Entity_common_name.Name _Entity_common_name.Type _Entity_common_name.Entry_ID _Entity_common_name.Entity_ID 'MAP Kinase Phosphatase PAC-1' common 5000 1 PAC-1 abbreviation 5000 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 1 174 VAL . 5000 1 2 175 GLU . 5000 1 3 176 ILE . 5000 1 4 177 LEU . 5000 1 5 178 PRO . 5000 1 6 179 TYR . 5000 1 7 180 LEU . 5000 1 8 181 PHE . 5000 1 9 182 LEU . 5000 1 10 183 GLY . 5000 1 11 184 SER . 5000 1 12 185 CYS . 5000 1 13 186 SER . 5000 1 14 187 HIS . 5000 1 15 188 SER . 5000 1 16 189 SER . 5000 1 17 190 ASP . 5000 1 18 191 LEU . 5000 1 19 192 GLN . 5000 1 20 193 GLY . 5000 1 21 194 LEU . 5000 1 22 195 GLN . 5000 1 23 196 ALA . 5000 1 24 197 CYS . 5000 1 25 198 GLY . 5000 1 26 199 ILE . 5000 1 27 200 THR . 5000 1 28 201 ALA . 5000 1 29 202 VAL . 5000 1 30 203 LEU . 5000 1 31 204 ASN . 5000 1 32 205 VAL . 5000 1 33 206 SER . 5000 1 34 207 ALA . 5000 1 35 208 SER . 5000 1 36 209 CYS . 5000 1 37 210 PRO . 5000 1 38 211 ASN . 5000 1 39 212 HIS . 5000 1 40 213 PHE . 5000 1 41 214 GLU . 5000 1 42 215 GLY . 5000 1 43 216 LEU . 5000 1 44 217 PHE . 5000 1 45 218 ARG . 5000 1 46 219 TYR . 5000 1 47 220 LYS . 5000 1 48 221 SER . 5000 1 49 222 ILE . 5000 1 50 223 PRO . 5000 1 51 224 VAL . 5000 1 52 225 GLU . 5000 1 53 226 ASP . 5000 1 54 227 ASN . 5000 1 55 228 GLN . 5000 1 56 229 MET . 5000 1 57 230 VAL . 5000 1 58 231 GLU . 5000 1 59 232 ILE . 5000 1 60 233 SER . 5000 1 61 234 ALA . 5000 1 62 235 TRP . 5000 1 63 236 PHE . 5000 1 64 237 GLN . 5000 1 65 238 GLU . 5000 1 66 239 ALA . 5000 1 67 240 ILE . 5000 1 68 241 GLY . 5000 1 69 242 PHE . 5000 1 70 243 ILE . 5000 1 71 244 ASP . 5000 1 72 245 TRP . 5000 1 73 246 VAL . 5000 1 74 247 LYS . 5000 1 75 248 ASN . 5000 1 76 249 SER . 5000 1 77 250 GLY . 5000 1 78 251 GLY . 5000 1 79 252 ARG . 5000 1 80 253 VAL . 5000 1 81 254 LEU . 5000 1 82 255 VAL . 5000 1 83 256 HIS . 5000 1 84 257 SER . 5000 1 85 258 GLN . 5000 1 86 259 ALA . 5000 1 87 260 GLY . 5000 1 88 261 ILE . 5000 1 89 262 SER . 5000 1 90 263 ARG . 5000 1 91 264 SER . 5000 1 92 265 ALA . 5000 1 93 266 THR . 5000 1 94 267 ILE . 5000 1 95 268 CYS . 5000 1 96 269 LEU . 5000 1 97 270 ALA . 5000 1 98 271 TYR . 5000 1 99 272 LEU . 5000 1 100 273 MET . 5000 1 101 274 GLN . 5000 1 102 275 SER . 5000 1 103 276 ARG . 5000 1 104 277 ARG . 5000 1 105 278 VAL . 5000 1 106 279 ARG . 5000 1 107 280 LEU . 5000 1 108 281 ASP . 5000 1 109 282 GLU . 5000 1 110 283 ALA . 5000 1 111 284 PHE . 5000 1 112 285 ASP . 5000 1 113 286 PHE . 5000 1 114 287 VAL . 5000 1 115 288 LYS . 5000 1 116 289 GLN . 5000 1 117 290 ARG . 5000 1 118 291 ARG . 5000 1 119 292 GLY . 5000 1 120 293 VAL . 5000 1 121 294 ILE . 5000 1 122 295 SER . 5000 1 123 296 PRO . 5000 1 124 297 ASN . 5000 1 125 298 PHE . 5000 1 126 299 SER . 5000 1 127 300 PHE . 5000 1 128 301 MET . 5000 1 129 302 GLY . 5000 1 130 303 GLN . 5000 1 131 304 LEU . 5000 1 132 305 LEU . 5000 1 133 306 GLN . 5000 1 134 307 PHE . 5000 1 135 308 GLU . 5000 1 136 309 THR . 5000 1 137 310 GLN . 5000 1 138 311 VAL . 5000 1 139 312 LEU . 5000 1 140 313 CYS . 5000 1 141 314 HIS . 5000 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 . VAL 1 1 5000 1 . GLU 2 2 5000 1 . ILE 3 3 5000 1 . LEU 4 4 5000 1 . PRO 5 5 5000 1 . TYR 6 6 5000 1 . LEU 7 7 5000 1 . PHE 8 8 5000 1 . LEU 9 9 5000 1 . GLY 10 10 5000 1 . SER 11 11 5000 1 . CYS 12 12 5000 1 . SER 13 13 5000 1 . HIS 14 14 5000 1 . SER 15 15 5000 1 . SER 16 16 5000 1 . ASP 17 17 5000 1 . LEU 18 18 5000 1 . GLN 19 19 5000 1 . GLY 20 20 5000 1 . LEU 21 21 5000 1 . GLN 22 22 5000 1 . ALA 23 23 5000 1 . CYS 24 24 5000 1 . GLY 25 25 5000 1 . ILE 26 26 5000 1 . THR 27 27 5000 1 . ALA 28 28 5000 1 . VAL 29 29 5000 1 . LEU 30 30 5000 1 . ASN 31 31 5000 1 . VAL 32 32 5000 1 . SER 33 33 5000 1 . ALA 34 34 5000 1 . SER 35 35 5000 1 . CYS 36 36 5000 1 . PRO 37 37 5000 1 . ASN 38 38 5000 1 . HIS 39 39 5000 1 . PHE 40 40 5000 1 . GLU 41 41 5000 1 . GLY 42 42 5000 1 . LEU 43 43 5000 1 . PHE 44 44 5000 1 . ARG 45 45 5000 1 . TYR 46 46 5000 1 . LYS 47 47 5000 1 . SER 48 48 5000 1 . ILE 49 49 5000 1 . PRO 50 50 5000 1 . VAL 51 51 5000 1 . GLU 52 52 5000 1 . ASP 53 53 5000 1 . ASN 54 54 5000 1 . GLN 55 55 5000 1 . MET 56 56 5000 1 . VAL 57 57 5000 1 . GLU 58 58 5000 1 . ILE 59 59 5000 1 . SER 60 60 5000 1 . ALA 61 61 5000 1 . TRP 62 62 5000 1 . PHE 63 63 5000 1 . GLN 64 64 5000 1 . GLU 65 65 5000 1 . ALA 66 66 5000 1 . ILE 67 67 5000 1 . GLY 68 68 5000 1 . PHE 69 69 5000 1 . ILE 70 70 5000 1 . ASP 71 71 5000 1 . TRP 72 72 5000 1 . VAL 73 73 5000 1 . LYS 74 74 5000 1 . ASN 75 75 5000 1 . SER 76 76 5000 1 . GLY 77 77 5000 1 . GLY 78 78 5000 1 . ARG 79 79 5000 1 . VAL 80 80 5000 1 . LEU 81 81 5000 1 . VAL 82 82 5000 1 . HIS 83 83 5000 1 . SER 84 84 5000 1 . GLN 85 85 5000 1 . ALA 86 86 5000 1 . GLY 87 87 5000 1 . ILE 88 88 5000 1 . SER 89 89 5000 1 . ARG 90 90 5000 1 . SER 91 91 5000 1 . ALA 92 92 5000 1 . THR 93 93 5000 1 . ILE 94 94 5000 1 . CYS 95 95 5000 1 . LEU 96 96 5000 1 . ALA 97 97 5000 1 . TYR 98 98 5000 1 . LEU 99 99 5000 1 . MET 100 100 5000 1 . GLN 101 101 5000 1 . SER 102 102 5000 1 . ARG 103 103 5000 1 . ARG 104 104 5000 1 . VAL 105 105 5000 1 . ARG 106 106 5000 1 . LEU 107 107 5000 1 . ASP 108 108 5000 1 . GLU 109 109 5000 1 . ALA 110 110 5000 1 . PHE 111 111 5000 1 . ASP 112 112 5000 1 . PHE 113 113 5000 1 . VAL 114 114 5000 1 . LYS 115 115 5000 1 . GLN 116 116 5000 1 . ARG 117 117 5000 1 . ARG 118 118 5000 1 . GLY 119 119 5000 1 . VAL 120 120 5000 1 . ILE 121 121 5000 1 . SER 122 122 5000 1 . PRO 123 123 5000 1 . ASN 124 124 5000 1 . PHE 125 125 5000 1 . SER 126 126 5000 1 . PHE 127 127 5000 1 . MET 128 128 5000 1 . GLY 129 129 5000 1 . GLN 130 130 5000 1 . LEU 131 131 5000 1 . LEU 132 132 5000 1 . GLN 133 133 5000 1 . PHE 134 134 5000 1 . GLU 135 135 5000 1 . THR 136 136 5000 1 . GLN 137 137 5000 1 . VAL 138 138 5000 1 . LEU 139 139 5000 1 . CYS 140 140 5000 1 . HIS 141 141 5000 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 5000 _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 $PAC-1 . 9606 organism . 'Homo sapiens' Human . . Eukaryota Metazoa Homo sapiens . . . . . . . . . . . . . . . . . . . . . 5000 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 5000 _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 $PAC-1 . 'recombinant technology' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 5000 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 5000 _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 'MAP Kinase Phosphatase PAC-1' '[U-99% 13C; U-99% 15N]' . . 1 $PAC-1 . . . 0.4 0.6 mM . . . . 5000 1 stop_ save_ ####################### # Sample conditions # ####################### save_Ex-cond_1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode Ex-cond_1 _Sample_condition_list.Entry_ID 5000 _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 pH 8.0 0.1 n/a 5000 1 temperature 298 1 K 5000 1 'ionic strength' 0.1 0.02 M 5000 1 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_NMR_spectrometer1 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer1 _NMR_spectrometer.Entry_ID 5000 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model . _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 500 save_ save_NMR_spectrometer2 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer2 _NMR_spectrometer.Entry_ID 5000 _NMR_spectrometer.ID 2 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model . _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ save_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode spectrometer_list _NMR_spectrometer_list.Entry_ID 5000 _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_spectrometer1 Bruker . . 500 . . . 5000 1 2 NMR_spectrometer2 Bruker . . 600 . . . 5000 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 5000 _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 NOESY' . . . . . . . . . . . 1 $sample_1 . . . 1 $Ex-cond_1 . . . . . . . . . . . . . . . . . . . . . 5000 1 2 '1H-15N TOCSY' . . . . . . . . . . . 1 $sample_1 . . . 1 $Ex-cond_1 . . . . . . . . . . . . . . . . . . . . . 5000 1 3 HNCA . . . . . . . . . . . 1 $sample_1 . . . 1 $Ex-cond_1 . . . . . . . . . . . . . . . . . . . . . 5000 1 4 HN(CO)CA . . . . . . . . . . . 1 $sample_1 . . . 1 $Ex-cond_1 . . . . . . . . . . . . . . . . . . . . . 5000 1 5 HNCACB . . . . . . . . . . . 1 $sample_1 . . . 1 $Ex-cond_1 . . . . . . . . . . . . . . . . . . . . . 5000 1 6 HN(COCA)CB . . . . . . . . . . . 1 $sample_1 . . . 1 $Ex-cond_1 . . . . . . . . . . . . . . . . . . . . . 5000 1 7 HNCO . . . . . . . . . . . 1 $sample_1 . . . 1 $Ex-cond_1 . . . . . . . . . . . . . . . . . . . . . 5000 1 8 C(CO)NH . . . . . . . . . . . 1 $sample_1 . . . 1 $Ex-cond_1 . . . . . . . . . . . . . . . . . . . . . 5000 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 5000 _NMR_spec_expt.ID 1 _NMR_spec_expt.Name '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_2 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_2 _NMR_spec_expt.Entry_ID 5000 _NMR_spec_expt.ID 2 _NMR_spec_expt.Name '1H-15N 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_3 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_3 _NMR_spec_expt.Entry_ID 5000 _NMR_spec_expt.ID 3 _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_4 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_4 _NMR_spec_expt.Entry_ID 5000 _NMR_spec_expt.ID 4 _NMR_spec_expt.Name HN(CO)CA _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 5000 _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 5000 _NMR_spec_expt.ID 6 _NMR_spec_expt.Name HN(COCA)CB _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 5000 _NMR_spec_expt.ID 7 _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_8 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_8 _NMR_spec_expt.Entry_ID 5000 _NMR_spec_expt.ID 8 _NMR_spec_expt.Name C(CO)NH _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 5000 _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 H 1 DSS 'methyl protons' . . . . ppm 0.0 internal direct 1.0 . . . 1 $entry_citation . . 1 $entry_citation 5000 1 N 15 DSS 'methyl protons' . . . . ppm 0.0 . indirect 0.101329118 . . . 1 $entry_citation . . 1 $entry_citation 5000 1 C 13 DSS 'methyl protons' . . . . ppm 0.0 . indirect 0.251449530 . . . 1 $entry_citation . . 1 $entry_citation 5000 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 5000 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $Ex-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 . 5000 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 VAL H H 1 8.30 0.00 . 1 . . . . . . . . 5000 1 2 . 1 1 1 1 VAL HA H 1 4.03 0.00 . 1 . . . . . . . . 5000 1 3 . 1 1 1 1 VAL HB H 1 2.02 0.00 . 1 . . . . . . . . 5000 1 4 . 1 1 1 1 VAL HG11 H 1 1.07 0.00 . 1 . . . . . . . . 5000 1 5 . 1 1 1 1 VAL HG12 H 1 1.07 0.00 . 1 . . . . . . . . 5000 1 6 . 1 1 1 1 VAL HG13 H 1 1.07 0.00 . 1 . . . . . . . . 5000 1 7 . 1 1 1 1 VAL HG21 H 1 0.80 0.00 . 1 . . . . . . . . 5000 1 8 . 1 1 1 1 VAL HG22 H 1 0.80 0.00 . 1 . . . . . . . . 5000 1 9 . 1 1 1 1 VAL HG23 H 1 0.80 0.00 . 1 . . . . . . . . 5000 1 10 . 1 1 1 1 VAL CA C 13 61.63 0.00 . 1 . . . . . . . . 5000 1 11 . 1 1 1 1 VAL CB C 13 33.54 0.00 . 1 . . . . . . . . 5000 1 12 . 1 1 1 1 VAL CG1 C 13 21.70 0.00 . 1 . . . . . . . . 5000 1 13 . 1 1 1 1 VAL CG2 C 13 20.60 0.00 . 1 . . . . . . . . 5000 1 14 . 1 1 1 1 VAL N N 15 119.88 0.00 . 1 . . . . . . . . 5000 1 15 . 1 1 2 2 GLU H H 1 8.74 0.00 . 1 . . . . . . . . 5000 1 16 . 1 1 2 2 GLU HA H 1 4.06 0.00 . 1 . . . . . . . . 5000 1 17 . 1 1 2 2 GLU HB2 H 1 1.99 0.00 . 1 . . . . . . . . 5000 1 18 . 1 1 2 2 GLU HB3 H 1 1.63 0.00 . 1 . . . . . . . . 5000 1 19 . 1 1 2 2 GLU HG2 H 1 2.45 0.00 . 1 . . . . . . . . 5000 1 20 . 1 1 2 2 GLU HG3 H 1 2.91 0.00 . 1 . . . . . . . . 5000 1 21 . 1 1 2 2 GLU CA C 13 55.84 0.00 . 1 . . . . . . . . 5000 1 22 . 1 1 2 2 GLU N N 15 130.10 0.00 . 1 . . . . . . . . 5000 1 23 . 1 1 3 3 ILE H H 1 8.66 0.00 . 1 . . . . . . . . 5000 1 24 . 1 1 3 3 ILE HA H 1 4.03 0.00 . 1 . . . . . . . . 5000 1 25 . 1 1 3 3 ILE HB H 1 1.98 0.00 . 1 . . . . . . . . 5000 1 26 . 1 1 3 3 ILE HG13 H 1 1.62 0.00 . 1 . . . . . . . . 5000 1 27 . 1 1 3 3 ILE HG21 H 1 1.00 0.00 . 1 . . . . . . . . 5000 1 28 . 1 1 3 3 ILE HG22 H 1 1.00 0.00 . 1 . . . . . . . . 5000 1 29 . 1 1 3 3 ILE HG23 H 1 1.00 0.00 . 1 . . . . . . . . 5000 1 30 . 1 1 3 3 ILE HD11 H 1 0.66 0.00 . 1 . . . . . . . . 5000 1 31 . 1 1 3 3 ILE HD12 H 1 0.66 0.00 . 1 . . . . . . . . 5000 1 32 . 1 1 3 3 ILE HD13 H 1 0.66 0.00 . 1 . . . . . . . . 5000 1 33 . 1 1 3 3 ILE CB C 13 36.57 0.00 . 1 . . . . . . . . 5000 1 34 . 1 1 3 3 ILE CG2 C 13 18.67 0.00 . 1 . . . . . . . . 5000 1 35 . 1 1 3 3 ILE CD1 C 13 10.41 0.00 . 1 . . . . . . . . 5000 1 36 . 1 1 3 3 ILE N N 15 130.10 0.00 . 1 . . . . . . . . 5000 1 37 . 1 1 4 4 LEU H H 1 8.00 0.00 . 1 . . . . . . . . 5000 1 38 . 1 1 4 4 LEU HA H 1 4.77 0.00 . 1 . . . . . . . . 5000 1 39 . 1 1 4 4 LEU HB2 H 1 1.94 0.00 . 1 . . . . . . . . 5000 1 40 . 1 1 4 4 LEU HB3 H 1 1.95 0.00 . 1 . . . . . . . . 5000 1 41 . 1 1 4 4 LEU HG H 1 1.05 0.00 . 1 . . . . . . . . 5000 1 42 . 1 1 4 4 LEU HD11 H 1 0.52 0.00 . 1 . . . . . . . . 5000 1 43 . 1 1 4 4 LEU HD12 H 1 0.52 0.00 . 1 . . . . . . . . 5000 1 44 . 1 1 4 4 LEU HD13 H 1 0.52 0.00 . 1 . . . . . . . . 5000 1 45 . 1 1 4 4 LEU HD21 H 1 0.38 0.00 . 1 . . . . . . . . 5000 1 46 . 1 1 4 4 LEU HD22 H 1 0.38 0.00 . 1 . . . . . . . . 5000 1 47 . 1 1 4 4 LEU HD23 H 1 0.38 0.00 . 1 . . . . . . . . 5000 1 48 . 1 1 4 4 LEU CA C 13 52.81 0.00 . 1 . . . . . . . . 5000 1 49 . 1 1 4 4 LEU CB C 13 42.35 0.00 . 1 . . . . . . . . 5000 1 50 . 1 1 4 4 LEU N N 15 116.54 0.00 . 1 . . . . . . . . 5000 1 51 . 1 1 6 6 TYR H H 1 5.71 0.00 . 1 . . . . . . . . 5000 1 52 . 1 1 6 6 TYR HA H 1 5.00 0.00 . 1 . . . . . . . . 5000 1 53 . 1 1 6 6 TYR HB2 H 1 2.87 0.00 . 1 . . . . . . . . 5000 1 54 . 1 1 6 6 TYR HB3 H 1 3.04 0.00 . 1 . . . . . . . . 5000 1 55 . 1 1 6 6 TYR HE1 H 1 6.95 0.00 . 3 . . . . . . . . 5000 1 56 . 1 1 6 6 TYR CA C 13 52.54 0.00 . 1 . . . . . . . . 5000 1 57 . 1 1 6 6 TYR CB C 13 38.50 0.00 . 1 . . . . . . . . 5000 1 58 . 1 1 6 6 TYR N N 15 130.10 0.00 . 1 . . . . . . . . 5000 1 59 . 1 1 7 7 LEU H H 1 7.68 0.00 . 1 . . . . . . . . 5000 1 60 . 1 1 7 7 LEU HA H 1 5.16 0.00 . 1 . . . . . . . . 5000 1 61 . 1 1 7 7 LEU HD21 H 1 0.22 0.00 . 1 . . . . . . . . 5000 1 62 . 1 1 7 7 LEU HD22 H 1 0.22 0.00 . 1 . . . . . . . . 5000 1 63 . 1 1 7 7 LEU HD23 H 1 0.22 0.00 . 1 . . . . . . . . 5000 1 64 . 1 1 7 7 LEU CA C 13 54.74 0.00 . 1 . . . . . . . . 5000 1 65 . 1 1 7 7 LEU CD2 C 13 17.02 0.00 . 1 . . . . . . . . 5000 1 66 . 1 1 7 7 LEU N N 15 126.97 0.00 . 1 . . . . . . . . 5000 1 67 . 1 1 8 8 PHE H H 1 9.42 0.00 . 1 . . . . . . . . 5000 1 68 . 1 1 8 8 PHE HA H 1 5.39 0.00 . 1 . . . . . . . . 5000 1 69 . 1 1 8 8 PHE HB2 H 1 2.45 0.00 . 1 . . . . . . . . 5000 1 70 . 1 1 8 8 PHE HB3 H 1 2.78 0.00 . 1 . . . . . . . . 5000 1 71 . 1 1 8 8 PHE HD1 H 1 6.73 0.00 . 3 . . . . . . . . 5000 1 72 . 1 1 8 8 PHE HE1 H 1 7.27 0.00 . 3 . . . . . . . . 5000 1 73 . 1 1 8 8 PHE CA C 13 55.57 0.00 . 1 . . . . . . . . 5000 1 74 . 1 1 8 8 PHE CB C 13 42.63 0.00 . 1 . . . . . . . . 5000 1 75 . 1 1 8 8 PHE N N 15 128.01 0.00 . 1 . . . . . . . . 5000 1 76 . 1 1 9 9 LEU H H 1 9.24 0.00 . 1 . . . . . . . . 5000 1 77 . 1 1 9 9 LEU HA H 1 5.51 0.00 . 1 . . . . . . . . 5000 1 78 . 1 1 9 9 LEU HB2 H 1 1.48 0.00 . 1 . . . . . . . . 5000 1 79 . 1 1 9 9 LEU HB3 H 1 1.64 0.00 . 1 . . . . . . . . 5000 1 80 . 1 1 9 9 LEU HG H 1 1.49 0.00 . 1 . . . . . . . . 5000 1 81 . 1 1 9 9 LEU HD11 H 1 0.75 0.00 . 1 . . . . . . . . 5000 1 82 . 1 1 9 9 LEU HD12 H 1 0.75 0.00 . 1 . . . . . . . . 5000 1 83 . 1 1 9 9 LEU HD13 H 1 0.75 0.00 . 1 . . . . . . . . 5000 1 84 . 1 1 9 9 LEU HD21 H 1 0.91 0.00 . 1 . . . . . . . . 5000 1 85 . 1 1 9 9 LEU HD22 H 1 0.91 0.00 . 1 . . . . . . . . 5000 1 86 . 1 1 9 9 LEU HD23 H 1 0.91 0.00 . 1 . . . . . . . . 5000 1 87 . 1 1 9 9 LEU CA C 13 53.09 0.00 . 1 . . . . . . . . 5000 1 88 . 1 1 9 9 LEU CB C 13 46.48 0.00 . 1 . . . . . . . . 5000 1 89 . 1 1 9 9 LEU CG C 13 28.03 0.00 . 1 . . . . . . . . 5000 1 90 . 1 1 9 9 LEU CD1 C 13 26.38 0.00 . 1 . . . . . . . . 5000 1 91 . 1 1 9 9 LEU CD2 C 13 23.07 0.00 . 1 . . . . . . . . 5000 1 92 . 1 1 9 9 LEU N N 15 124.89 0.00 . 1 . . . . . . . . 5000 1 93 . 1 1 10 10 GLY H H 1 8.42 0.00 . 1 . . . . . . . . 5000 1 94 . 1 1 10 10 GLY HA2 H 1 4.21 0.00 . 1 . . . . . . . . 5000 1 95 . 1 1 10 10 GLY HA3 H 1 4.79 0.00 . 1 . . . . . . . . 5000 1 96 . 1 1 10 10 GLY CA C 13 45.93 0.00 . 1 . . . . . . . . 5000 1 97 . 1 1 10 10 GLY N N 15 111.12 0.00 . 1 . . . . . . . . 5000 1 98 . 1 1 11 11 SER H H 1 10.84 0.00 . 1 . . . . . . . . 5000 1 99 . 1 1 11 11 SER HA H 1 4.57 0.00 . 1 . . . . . . . . 5000 1 100 . 1 1 11 11 SER HB2 H 1 3.01 0.00 . 1 . . . . . . . . 5000 1 101 . 1 1 11 11 SER CA C 13 55.84 0.00 . 1 . . . . . . . . 5000 1 102 . 1 1 11 11 SER N N 15 119.67 0.00 . 1 . . . . . . . . 5000 1 103 . 1 1 14 14 HIS H H 1 6.92 0.00 . 1 . . . . . . . . 5000 1 104 . 1 1 14 14 HIS HA H 1 4.48 0.00 . 1 . . . . . . . . 5000 1 105 . 1 1 14 14 HIS HB3 H 1 3.24 0.00 . 1 . . . . . . . . 5000 1 106 . 1 1 14 14 HIS HD2 H 1 7.14 0.00 . 1 . . . . . . . . 5000 1 107 . 1 1 14 14 HIS CA C 13 59.15 0.00 . 1 . . . . . . . . 5000 1 108 . 1 1 14 14 HIS CB C 13 31.06 0.00 . 1 . . . . . . . . 5000 1 109 . 1 1 14 14 HIS N N 15 120.73 0.00 . 1 . . . . . . . . 5000 1 110 . 1 1 15 15 SER H H 1 7.33 0.00 . 1 . . . . . . . . 5000 1 111 . 1 1 15 15 SER HA H 1 3.76 0.00 . 1 . . . . . . . . 5000 1 112 . 1 1 15 15 SER HB3 H 1 4.78 0.00 . 1 . . . . . . . . 5000 1 113 . 1 1 15 15 SER CB C 13 62.45 0.00 . 1 . . . . . . . . 5000 1 114 . 1 1 15 15 SER N N 15 112.26 0.00 . 1 . . . . . . . . 5000 1 115 . 1 1 16 16 SER H H 1 7.19 0.00 . 1 . . . . . . . . 5000 1 116 . 1 1 16 16 SER HA H 1 4.29 0.00 . 1 . . . . . . . . 5000 1 117 . 1 1 16 16 SER HB2 H 1 2.95 0.00 . 1 . . . . . . . . 5000 1 118 . 1 1 16 16 SER HB3 H 1 3.60 0.00 . 1 . . . . . . . . 5000 1 119 . 1 1 16 16 SER CA C 13 57.22 0.00 . 1 . . . . . . . . 5000 1 120 . 1 1 16 16 SER CB C 13 63.55 0.00 . 1 . . . . . . . . 5000 1 121 . 1 1 16 16 SER N N 15 113.83 0.00 . 1 . . . . . . . . 5000 1 122 . 1 1 17 17 ASP H H 1 7.03 0.00 . 1 . . . . . . . . 5000 1 123 . 1 1 17 17 ASP HA H 1 4.93 0.00 . 1 . . . . . . . . 5000 1 124 . 1 1 17 17 ASP HB2 H 1 2.59 0.00 . 1 . . . . . . . . 5000 1 125 . 1 1 17 17 ASP HB3 H 1 3.15 0.00 . 1 . . . . . . . . 5000 1 126 . 1 1 17 17 ASP CA C 13 51.71 0.00 . 1 . . . . . . . . 5000 1 127 . 1 1 17 17 ASP CB C 13 40.70 0.00 . 1 . . . . . . . . 5000 1 128 . 1 1 17 17 ASP N N 15 123.87 0.00 . 1 . . . . . . . . 5000 1 129 . 1 1 18 18 LEU H H 1 8.39 0.00 . 1 . . . . . . . . 5000 1 130 . 1 1 18 18 LEU HA H 1 3.49 0.00 . 1 . . . . . . . . 5000 1 131 . 1 1 18 18 LEU HB2 H 1 1.49 0.00 . 1 . . . . . . . . 5000 1 132 . 1 1 18 18 LEU HB3 H 1 1.46 0.00 . 1 . . . . . . . . 5000 1 133 . 1 1 18 18 LEU HD11 H 1 0.56 0.00 . 1 . . . . . . . . 5000 1 134 . 1 1 18 18 LEU HD12 H 1 0.56 0.00 . 1 . . . . . . . . 5000 1 135 . 1 1 18 18 LEU HD13 H 1 0.56 0.00 . 1 . . . . . . . . 5000 1 136 . 1 1 18 18 LEU HD21 H 1 0.46 0.00 . 1 . . . . . . . . 5000 1 137 . 1 1 18 18 LEU HD22 H 1 0.46 0.00 . 1 . . . . . . . . 5000 1 138 . 1 1 18 18 LEU HD23 H 1 0.46 0.00 . 1 . . . . . . . . 5000 1 139 . 1 1 18 18 LEU CA C 13 57.77 0.00 . 1 . . . . . . . . 5000 1 140 . 1 1 18 18 LEU CB C 13 40.42 0.00 . 1 . . . . . . . . 5000 1 141 . 1 1 18 18 LEU CD1 C 13 26.10 0.00 . 1 . . . . . . . . 5000 1 142 . 1 1 18 18 LEU CD2 C 13 23.90 0.00 . 1 . . . . . . . . 5000 1 143 . 1 1 18 18 LEU N N 15 126.29 0.00 . 1 . . . . . . . . 5000 1 144 . 1 1 19 19 GLN H H 1 8.12 0.00 . 1 . . . . . . . . 5000 1 145 . 1 1 19 19 GLN HA H 1 4.00 0.00 . 1 . . . . . . . . 5000 1 146 . 1 1 19 19 GLN HB3 H 1 2.06 0.00 . 1 . . . . . . . . 5000 1 147 . 1 1 19 19 GLN HG3 H 1 2.42 0.00 . 1 . . . . . . . . 5000 1 148 . 1 1 19 19 GLN CA C 13 58.87 0.00 . 1 . . . . . . . . 5000 1 149 . 1 1 19 19 GLN CB C 13 26.10 0.00 . 1 . . . . . . . . 5000 1 150 . 1 1 19 19 GLN CG C 13 34.09 0.00 . 1 . . . . . . . . 5000 1 151 . 1 1 19 19 GLN N N 15 115.92 0.00 . 1 . . . . . . . . 5000 1 152 . 1 1 20 20 GLY H H 1 8.01 0.00 . 1 . . . . . . . . 5000 1 153 . 1 1 20 20 GLY HA2 H 1 3.75 0.00 . 1 . . . . . . . . 5000 1 154 . 1 1 20 20 GLY HA3 H 1 3.81 0.00 . 1 . . . . . . . . 5000 1 155 . 1 1 20 20 GLY CA C 13 47.58 0.00 . 1 . . . . . . . . 5000 1 156 . 1 1 20 20 GLY N N 15 109.72 0.00 . 1 . . . . . . . . 5000 1 157 . 1 1 21 21 LEU H H 1 7.95 0.00 . 1 . . . . . . . . 5000 1 158 . 1 1 21 21 LEU HA H 1 3.85 0.00 . 1 . . . . . . . . 5000 1 159 . 1 1 21 21 LEU HB2 H 1 1.84 0.00 . 1 . . . . . . . . 5000 1 160 . 1 1 21 21 LEU HB3 H 1 2.11 0.00 . 1 . . . . . . . . 5000 1 161 . 1 1 21 21 LEU HG H 1 1.22 0.00 . 1 . . . . . . . . 5000 1 162 . 1 1 21 21 LEU HD11 H 1 0.81 0.00 . 1 . . . . . . . . 5000 1 163 . 1 1 21 21 LEU HD12 H 1 0.81 0.00 . 1 . . . . . . . . 5000 1 164 . 1 1 21 21 LEU HD13 H 1 0.81 0.00 . 1 . . . . . . . . 5000 1 165 . 1 1 21 21 LEU HD21 H 1 0.15 0.00 . 1 . . . . . . . . 5000 1 166 . 1 1 21 21 LEU HD22 H 1 0.15 0.00 . 1 . . . . . . . . 5000 1 167 . 1 1 21 21 LEU HD23 H 1 0.15 0.00 . 1 . . . . . . . . 5000 1 168 . 1 1 21 21 LEU CA C 13 58.32 0.00 . 1 . . . . . . . . 5000 1 169 . 1 1 21 21 LEU CB C 13 41.25 0.00 . 1 . . . . . . . . 5000 1 170 . 1 1 21 21 LEU CG C 13 24.73 0.00 . 1 . . . . . . . . 5000 1 171 . 1 1 21 21 LEU CD1 C 13 25.00 0.00 . 1 . . . . . . . . 5000 1 172 . 1 1 21 21 LEU CD2 C 13 23.07 0.00 . 1 . . . . . . . . 5000 1 173 . 1 1 21 21 LEU N N 15 121.34 0.00 . 1 . . . . . . . . 5000 1 174 . 1 1 22 22 GLN H H 1 8.50 0.00 . 1 . . . . . . . . 5000 1 175 . 1 1 22 22 GLN HA H 1 4.24 0.00 . 1 . . . . . . . . 5000 1 176 . 1 1 22 22 GLN HB2 H 1 1.97 0.00 . 1 . . . . . . . . 5000 1 177 . 1 1 22 22 GLN HB3 H 1 2.18 0.00 . 1 . . . . . . . . 5000 1 178 . 1 1 22 22 GLN HG2 H 1 2.34 0.00 . 1 . . . . . . . . 5000 1 179 . 1 1 22 22 GLN HG3 H 1 2.64 0.00 . 1 . . . . . . . . 5000 1 180 . 1 1 22 22 GLN CA C 13 59.15 0.00 . 1 . . . . . . . . 5000 1 181 . 1 1 22 22 GLN CB C 13 27.48 0.00 . 1 . . . . . . . . 5000 1 182 . 1 1 22 22 GLN CG C 13 34.64 0.00 . 1 . . . . . . . . 5000 1 183 . 1 1 22 22 GLN N N 15 117.80 0.00 . 1 . . . . . . . . 5000 1 184 . 1 1 23 23 ALA H H 1 8.39 0.00 . 1 . . . . . . . . 5000 1 185 . 1 1 23 23 ALA HA H 1 4.13 0.00 . 1 . . . . . . . . 5000 1 186 . 1 1 23 23 ALA HB1 H 1 1.52 0.00 . 1 . . . . . . . . 5000 1 187 . 1 1 23 23 ALA HB2 H 1 1.52 0.00 . 1 . . . . . . . . 5000 1 188 . 1 1 23 23 ALA HB3 H 1 1.52 0.00 . 1 . . . . . . . . 5000 1 189 . 1 1 23 23 ALA CA C 13 53.92 0.00 . 1 . . . . . . . . 5000 1 190 . 1 1 23 23 ALA CB C 13 17.57 0.00 . 1 . . . . . . . . 5000 1 191 . 1 1 23 23 ALA N N 15 123.84 0.00 . 1 . . . . . . . . 5000 1 192 . 1 1 24 24 CYS H H 1 7.07 0.00 . 1 . . . . . . . . 5000 1 193 . 1 1 24 24 CYS HA H 1 4.28 0.00 . 1 . . . . . . . . 5000 1 194 . 1 1 24 24 CYS HB2 H 1 1.53 0.00 . 1 . . . . . . . . 5000 1 195 . 1 1 24 24 CYS HB3 H 1 2.37 0.00 . 1 . . . . . . . . 5000 1 196 . 1 1 24 24 CYS CA C 13 60.25 0.00 . 1 . . . . . . . . 5000 1 197 . 1 1 24 24 CYS CB C 13 27.48 0.00 . 1 . . . . . . . . 5000 1 198 . 1 1 24 24 CYS N N 15 112.79 0.00 . 1 . . . . . . . . 5000 1 199 . 1 1 25 25 GLY H H 1 7.66 0.00 . 1 . . . . . . . . 5000 1 200 . 1 1 25 25 GLY HA2 H 1 3.80 0.00 . 1 . . . . . . . . 5000 1 201 . 1 1 25 25 GLY HA3 H 1 4.13 0.00 . 1 . . . . . . . . 5000 1 202 . 1 1 25 25 GLY CA C 13 45.66 0.00 . 1 . . . . . . . . 5000 1 203 . 1 1 25 25 GLY N N 15 108.28 0.00 . 1 . . . . . . . . 5000 1 204 . 1 1 26 26 ILE H H 1 7.36 0.00 . 1 . . . . . . . . 5000 1 205 . 1 1 26 26 ILE HA H 1 3.48 0.00 . 1 . . . . . . . . 5000 1 206 . 1 1 26 26 ILE HB H 1 1.45 0.00 . 1 . . . . . . . . 5000 1 207 . 1 1 26 26 ILE HG12 H 1 0.83 0.00 . 1 . . . . . . . . 5000 1 208 . 1 1 26 26 ILE HG13 H 1 1.18 0.00 . 1 . . . . . . . . 5000 1 209 . 1 1 26 26 ILE HG21 H 1 0.59 0.00 . 1 . . . . . . . . 5000 1 210 . 1 1 26 26 ILE HG22 H 1 0.59 0.00 . 1 . . . . . . . . 5000 1 211 . 1 1 26 26 ILE HG23 H 1 0.59 0.00 . 1 . . . . . . . . 5000 1 212 . 1 1 26 26 ILE HD11 H 1 0.00 0.00 . 1 . . . . . . . . 5000 1 213 . 1 1 26 26 ILE HD12 H 1 0.00 0.00 . 1 . . . . . . . . 5000 1 214 . 1 1 26 26 ILE HD13 H 1 0.00 0.00 . 1 . . . . . . . . 5000 1 215 . 1 1 26 26 ILE CA C 13 60.25 0.00 . 1 . . . . . . . . 5000 1 216 . 1 1 26 26 ILE CB C 13 35.74 0.00 . 1 . . . . . . . . 5000 1 217 . 1 1 26 26 ILE CG1 C 13 26.60 0.00 . 1 . . . . . . . . 5000 1 218 . 1 1 26 26 ILE CG2 C 13 18.67 0.00 . 1 . . . . . . . . 5000 1 219 . 1 1 26 26 ILE CD1 C 13 9.85 0.00 . 1 . . . . . . . . 5000 1 220 . 1 1 26 26 ILE N N 15 118.00 0.00 . 1 . . . . . . . . 5000 1 221 . 1 1 27 27 THR H H 1 9.11 0.00 . 1 . . . . . . . . 5000 1 222 . 1 1 27 27 THR HA H 1 4.95 0.00 . 1 . . . . . . . . 5000 1 223 . 1 1 27 27 THR HB H 1 4.57 0.00 . 1 . . . . . . . . 5000 1 224 . 1 1 27 27 THR HG21 H 1 1.29 0.00 . 1 . . . . . . . . 5000 1 225 . 1 1 27 27 THR HG22 H 1 1.29 0.00 . 1 . . . . . . . . 5000 1 226 . 1 1 27 27 THR HG23 H 1 1.29 0.00 . 1 . . . . . . . . 5000 1 227 . 1 1 27 27 THR CA C 13 61.35 0.00 . 1 . . . . . . . . 5000 1 228 . 1 1 27 27 THR CB C 13 69.89 0.00 . 1 . . . . . . . . 5000 1 229 . 1 1 27 27 THR CG2 C 13 20.87 0.00 . 1 . . . . . . . . 5000 1 230 . 1 1 27 27 THR N N 15 113.62 0.00 . 1 . . . . . . . . 5000 1 231 . 1 1 28 28 ALA H H 1 8.14 0.00 . 1 . . . . . . . . 5000 1 232 . 1 1 28 28 ALA HA H 1 5.53 0.00 . 1 . . . . . . . . 5000 1 233 . 1 1 28 28 ALA HB1 H 1 1.46 0.00 . 1 . . . . . . . . 5000 1 234 . 1 1 28 28 ALA HB2 H 1 1.46 0.00 . 1 . . . . . . . . 5000 1 235 . 1 1 28 28 ALA HB3 H 1 1.46 0.00 . 1 . . . . . . . . 5000 1 236 . 1 1 28 28 ALA CA C 13 50.61 0.00 . 1 . . . . . . . . 5000 1 237 . 1 1 28 28 ALA CB C 13 23.90 0.00 . 1 . . . . . . . . 5000 1 238 . 1 1 28 28 ALA N N 15 128.22 0.00 . 1 . . . . . . . . 5000 1 239 . 1 1 29 29 VAL H H 1 9.03 0.00 . 1 . . . . . . . . 5000 1 240 . 1 1 29 29 VAL HA H 1 4.65 0.00 . 1 . . . . . . . . 5000 1 241 . 1 1 29 29 VAL HB H 1 1.14 0.00 . 1 . . . . . . . . 5000 1 242 . 1 1 29 29 VAL HG11 H 1 0.29 0.00 . 1 . . . . . . . . 5000 1 243 . 1 1 29 29 VAL HG12 H 1 0.29 0.00 . 1 . . . . . . . . 5000 1 244 . 1 1 29 29 VAL HG13 H 1 0.29 0.00 . 1 . . . . . . . . 5000 1 245 . 1 1 29 29 VAL HG21 H 1 0.60 0.00 . 1 . . . . . . . . 5000 1 246 . 1 1 29 29 VAL HG22 H 1 0.60 0.00 . 1 . . . . . . . . 5000 1 247 . 1 1 29 29 VAL HG23 H 1 0.60 0.00 . 1 . . . . . . . . 5000 1 248 . 1 1 29 29 VAL CA C 13 60.80 0.00 . 1 . . . . . . . . 5000 1 249 . 1 1 29 29 VAL CB C 13 35.47 0.00 . 1 . . . . . . . . 5000 1 250 . 1 1 29 29 VAL CG1 C 13 20.32 0.00 . 1 . . . . . . . . 5000 1 251 . 1 1 29 29 VAL CG2 C 13 18.94 0.00 . 1 . . . . . . . . 5000 1 252 . 1 1 29 29 VAL N N 15 121.76 0.00 . 1 . . . . . . . . 5000 1 253 . 1 1 30 30 LEU H H 1 9.49 0.00 . 1 . . . . . . . . 5000 1 254 . 1 1 30 30 LEU HA H 1 5.10 0.00 . 1 . . . . . . . . 5000 1 255 . 1 1 30 30 LEU HB2 H 1 2.14 0.00 . 1 . . . . . . . . 5000 1 256 . 1 1 30 30 LEU HB3 H 1 2.15 0.00 . 1 . . . . . . . . 5000 1 257 . 1 1 30 30 LEU HG H 1 0.92 0.00 . 1 . . . . . . . . 5000 1 258 . 1 1 30 30 LEU HD11 H 1 0.68 0.00 . 1 . . . . . . . . 5000 1 259 . 1 1 30 30 LEU HD12 H 1 0.68 0.00 . 1 . . . . . . . . 5000 1 260 . 1 1 30 30 LEU HD13 H 1 0.68 0.00 . 1 . . . . . . . . 5000 1 261 . 1 1 30 30 LEU HD21 H 1 1.25 0.00 . 1 . . . . . . . . 5000 1 262 . 1 1 30 30 LEU HD22 H 1 1.25 0.00 . 1 . . . . . . . . 5000 1 263 . 1 1 30 30 LEU HD23 H 1 1.25 0.00 . 1 . . . . . . . . 5000 1 264 . 1 1 30 30 LEU CA C 13 53.09 0.00 . 1 . . . . . . . . 5000 1 265 . 1 1 30 30 LEU CB C 13 43.73 0.00 . 1 . . . . . . . . 5000 1 266 . 1 1 30 30 LEU CG C 13 26.93 0.00 . 1 . . . . . . . . 5000 1 267 . 1 1 30 30 LEU CD1 C 13 24.18 0.00 . 1 . . . . . . . . 5000 1 268 . 1 1 30 30 LEU CD2 C 13 20.60 0.00 . 1 . . . . . . . . 5000 1 269 . 1 1 30 30 LEU N N 15 129.92 0.00 . 1 . . . . . . . . 5000 1 270 . 1 1 31 31 ASN H H 1 8.63 0.00 . 1 . . . . . . . . 5000 1 271 . 1 1 31 31 ASN HA H 1 3.85 0.00 . 1 . . . . . . . . 5000 1 272 . 1 1 31 31 ASN HB2 H 1 2.57 0.00 . 1 . . . . . . . . 5000 1 273 . 1 1 31 31 ASN HB3 H 1 2.59 0.00 . 1 . . . . . . . . 5000 1 274 . 1 1 31 31 ASN CA C 13 56.40 0.00 . 1 . . . . . . . . 5000 1 275 . 1 1 31 31 ASN CB C 13 37.95 0.00 . 1 . . . . . . . . 5000 1 276 . 1 1 31 31 ASN N N 15 125.72 0.00 . 1 . . . . . . . . 5000 1 277 . 1 1 32 32 VAL H H 1 8.51 0.00 . 1 . . . . . . . . 5000 1 278 . 1 1 32 32 VAL HA H 1 4.46 0.00 . 1 . . . . . . . . 5000 1 279 . 1 1 32 32 VAL HB H 1 1.94 0.00 . 1 . . . . . . . . 5000 1 280 . 1 1 32 32 VAL HG11 H 1 1.14 0.00 . 1 . . . . . . . . 5000 1 281 . 1 1 32 32 VAL HG12 H 1 1.14 0.00 . 1 . . . . . . . . 5000 1 282 . 1 1 32 32 VAL HG13 H 1 1.14 0.00 . 1 . . . . . . . . 5000 1 283 . 1 1 32 32 VAL HG21 H 1 0.66 0.00 . 1 . . . . . . . . 5000 1 284 . 1 1 32 32 VAL HG22 H 1 0.66 0.00 . 1 . . . . . . . . 5000 1 285 . 1 1 32 32 VAL HG23 H 1 0.66 0.00 . 1 . . . . . . . . 5000 1 286 . 1 1 32 32 VAL CA C 13 59.15 0.00 . 1 . . . . . . . . 5000 1 287 . 1 1 32 32 VAL CB C 13 28.58 0.00 . 1 . . . . . . . . 5000 1 288 . 1 1 32 32 VAL CG1 C 13 20.87 0.00 . 1 . . . . . . . . 5000 1 289 . 1 1 32 32 VAL CG2 C 13 23.07 0.00 . 1 . . . . . . . . 5000 1 290 . 1 1 32 32 VAL N N 15 128.64 0.00 . 1 . . . . . . . . 5000 1 291 . 1 1 33 33 SER H H 1 7.27 0.00 . 1 . . . . . . . . 5000 1 292 . 1 1 33 33 SER HA H 1 4.99 0.00 . 1 . . . . . . . . 5000 1 293 . 1 1 33 33 SER HB2 H 1 3.72 0.00 . 1 . . . . . . . . 5000 1 294 . 1 1 33 33 SER HB3 H 1 3.90 0.00 . 1 . . . . . . . . 5000 1 295 . 1 1 33 33 SER CA C 13 57.77 0.00 . 1 . . . . . . . . 5000 1 296 . 1 1 33 33 SER CB C 13 65.76 0.00 . 1 . . . . . . . . 5000 1 297 . 1 1 33 33 SER N N 15 112.36 0.00 . 1 . . . . . . . . 5000 1 298 . 1 1 34 34 ALA H H 1 7.51 0.00 . 1 . . . . . . . . 5000 1 299 . 1 1 34 34 ALA HA H 1 4.30 0.00 . 1 . . . . . . . . 5000 1 300 . 1 1 34 34 ALA HB1 H 1 1.17 0.00 . 1 . . . . . . . . 5000 1 301 . 1 1 34 34 ALA HB2 H 1 1.17 0.00 . 1 . . . . . . . . 5000 1 302 . 1 1 34 34 ALA HB3 H 1 1.17 0.00 . 1 . . . . . . . . 5000 1 303 . 1 1 34 34 ALA CA C 13 51.44 0.00 . 1 . . . . . . . . 5000 1 304 . 1 1 34 34 ALA CB C 13 18.67 0.00 . 1 . . . . . . . . 5000 1 305 . 1 1 34 34 ALA N N 15 121.34 0.00 . 1 . . . . . . . . 5000 1 306 . 1 1 37 37 PRO HA H 1 4.25 0.00 . 1 . . . . . . . . 5000 1 307 . 1 1 37 37 PRO HB3 H 1 2.32 0.00 . 1 . . . . . . . . 5000 1 308 . 1 1 37 37 PRO HG3 H 1 0.99 0.00 . 1 . . . . . . . . 5000 1 309 . 1 1 37 37 PRO CB C 13 31.61 0.00 . 1 . . . . . . . . 5000 1 310 . 1 1 37 37 PRO CG C 13 25.00 0.00 . 1 . . . . . . . . 5000 1 311 . 1 1 38 38 ASN H H 1 8.41 0.00 . 1 . . . . . . . . 5000 1 312 . 1 1 38 38 ASN N N 15 120.51 0.00 . 1 . . . . . . . . 5000 1 313 . 1 1 39 39 HIS H H 1 7.31 0.00 . 1 . . . . . . . . 5000 1 314 . 1 1 39 39 HIS HA H 1 4.74 0.00 . 1 . . . . . . . . 5000 1 315 . 1 1 39 39 HIS HB3 H 1 3.75 0.00 . 1 . . . . . . . . 5000 1 316 . 1 1 39 39 HIS CA C 13 58.32 0.00 . 1 . . . . . . . . 5000 1 317 . 1 1 39 39 HIS N N 15 120.51 0.00 . 1 . . . . . . . . 5000 1 318 . 1 1 40 40 PHE H H 1 7.91 0.00 . 1 . . . . . . . . 5000 1 319 . 1 1 40 40 PHE HA H 1 5.47 0.00 . 1 . . . . . . . . 5000 1 320 . 1 1 40 40 PHE HB3 H 1 3.47 0.00 . 1 . . . . . . . . 5000 1 321 . 1 1 40 40 PHE HD1 H 1 7.31 0.00 . 3 . . . . . . . . 5000 1 322 . 1 1 40 40 PHE HE1 H 1 7.16 0.00 . 3 . . . . . . . . 5000 1 323 . 1 1 40 40 PHE CA C 13 54.47 0.00 . 1 . . . . . . . . 5000 1 324 . 1 1 40 40 PHE CB C 13 39.60 0.00 . 1 . . . . . . . . 5000 1 325 . 1 1 40 40 PHE N N 15 116.13 0.00 . 1 . . . . . . . . 5000 1 326 . 1 1 41 41 GLU H H 1 8.13 0.00 . 1 . . . . . . . . 5000 1 327 . 1 1 41 41 GLU HA H 1 4.28 0.00 . 1 . . . . . . . . 5000 1 328 . 1 1 41 41 GLU HB2 H 1 1.89 0.00 . 1 . . . . . . . . 5000 1 329 . 1 1 41 41 GLU HB3 H 1 2.05 0.00 . 1 . . . . . . . . 5000 1 330 . 1 1 41 41 GLU HG3 H 1 2.39 0.00 . 1 . . . . . . . . 5000 1 331 . 1 1 41 41 GLU CA C 13 59.42 0.00 . 1 . . . . . . . . 5000 1 332 . 1 1 41 41 GLU CB C 13 29.13 0.00 . 1 . . . . . . . . 5000 1 333 . 1 1 41 41 GLU CG C 13 36.29 0.00 . 1 . . . . . . . . 5000 1 334 . 1 1 41 41 GLU N N 15 122.56 0.00 . 1 . . . . . . . . 5000 1 335 . 1 1 42 42 GLY H H 1 9.05 0.00 . 1 . . . . . . . . 5000 1 336 . 1 1 42 42 GLY HA2 H 1 4.28 0.00 . 1 . . . . . . . . 5000 1 337 . 1 1 42 42 GLY HA3 H 1 4.79 0.00 . 1 . . . . . . . . 5000 1 338 . 1 1 42 42 GLY CA C 13 45.38 0.00 . 1 . . . . . . . . 5000 1 339 . 1 1 42 42 GLY N N 15 111.12 0.00 . 1 . . . . . . . . 5000 1 340 . 1 1 43 43 LEU H H 1 7.97 0.00 . 1 . . . . . . . . 5000 1 341 . 1 1 43 43 LEU HA H 1 4.32 0.00 . 1 . . . . . . . . 5000 1 342 . 1 1 43 43 LEU HB2 H 1 1.45 0.00 . 1 . . . . . . . . 5000 1 343 . 1 1 43 43 LEU HB3 H 1 1.46 0.00 . 1 . . . . . . . . 5000 1 344 . 1 1 43 43 LEU HG H 1 1.36 0.00 . 1 . . . . . . . . 5000 1 345 . 1 1 43 43 LEU HD11 H 1 0.77 0.00 . 1 . . . . . . . . 5000 1 346 . 1 1 43 43 LEU HD12 H 1 0.77 0.00 . 1 . . . . . . . . 5000 1 347 . 1 1 43 43 LEU HD13 H 1 0.77 0.00 . 1 . . . . . . . . 5000 1 348 . 1 1 43 43 LEU HD21 H 1 0.65 0.00 . 1 . . . . . . . . 5000 1 349 . 1 1 43 43 LEU HD22 H 1 0.65 0.00 . 1 . . . . . . . . 5000 1 350 . 1 1 43 43 LEU HD23 H 1 0.65 0.00 . 1 . . . . . . . . 5000 1 351 . 1 1 43 43 LEU CA C 13 55.84 0.00 . 1 . . . . . . . . 5000 1 352 . 1 1 43 43 LEU CB C 13 43.18 0.00 . 1 . . . . . . . . 5000 1 353 . 1 1 43 43 LEU CG C 13 27.20 0.00 . 1 . . . . . . . . 5000 1 354 . 1 1 43 43 LEU CD1 C 13 25.00 0.00 . 1 . . . . . . . . 5000 1 355 . 1 1 43 43 LEU CD2 C 13 23.07 0.00 . 1 . . . . . . . . 5000 1 356 . 1 1 43 43 LEU N N 15 120.30 0.00 . 1 . . . . . . . . 5000 1 357 . 1 1 44 44 PHE H H 1 7.40 0.00 . 1 . . . . . . . . 5000 1 358 . 1 1 44 44 PHE HA H 1 4.88 0.00 . 1 . . . . . . . . 5000 1 359 . 1 1 44 44 PHE HB2 H 1 2.40 0.00 . 1 . . . . . . . . 5000 1 360 . 1 1 44 44 PHE HB3 H 1 2.63 0.00 . 1 . . . . . . . . 5000 1 361 . 1 1 44 44 PHE HD1 H 1 7.14 0.00 . 3 . . . . . . . . 5000 1 362 . 1 1 44 44 PHE HE1 H 1 7.30 0.00 . 3 . . . . . . . . 5000 1 363 . 1 1 44 44 PHE CA C 13 54.47 0.00 . 1 . . . . . . . . 5000 1 364 . 1 1 44 44 PHE CB C 13 42.35 0.00 . 1 . . . . . . . . 5000 1 365 . 1 1 44 44 PHE N N 15 114.25 0.00 . 1 . . . . . . . . 5000 1 366 . 1 1 45 45 ARG H H 1 7.92 0.00 . 1 . . . . . . . . 5000 1 367 . 1 1 45 45 ARG HA H 1 4.81 0.00 . 1 . . . . . . . . 5000 1 368 . 1 1 45 45 ARG HB2 H 1 2.14 0.00 . 1 . . . . . . . . 5000 1 369 . 1 1 45 45 ARG HB3 H 1 2.13 0.00 . 1 . . . . . . . . 5000 1 370 . 1 1 45 45 ARG HG2 H 1 1.91 0.00 . 1 . . . . . . . . 5000 1 371 . 1 1 45 45 ARG HG3 H 1 1.91 0.00 . 1 . . . . . . . . 5000 1 372 . 1 1 45 45 ARG HD3 H 1 3.31 0.00 . 1 . . . . . . . . 5000 1 373 . 1 1 45 45 ARG CA C 13 55.29 0.00 . 1 . . . . . . . . 5000 1 374 . 1 1 45 45 ARG CB C 13 30.23 0.00 . 1 . . . . . . . . 5000 1 375 . 1 1 45 45 ARG CG C 13 26.93 0.00 . 1 . . . . . . . . 5000 1 376 . 1 1 45 45 ARG CD C 13 42.35 0.00 . 1 . . . . . . . . 5000 1 377 . 1 1 45 45 ARG N N 15 120.92 0.00 . 1 . . . . . . . . 5000 1 378 . 1 1 46 46 TYR H H 1 9.26 0.00 . 1 . . . . . . . . 5000 1 379 . 1 1 46 46 TYR HA H 1 5.60 0.00 . 1 . . . . . . . . 5000 1 380 . 1 1 46 46 TYR HB2 H 1 2.71 0.00 . 1 . . . . . . . . 5000 1 381 . 1 1 46 46 TYR HB3 H 1 2.99 0.00 . 1 . . . . . . . . 5000 1 382 . 1 1 46 46 TYR HD1 H 1 7.19 0.00 . 3 . . . . . . . . 5000 1 383 . 1 1 46 46 TYR HE1 H 1 7.08 0.00 . 3 . . . . . . . . 5000 1 384 . 1 1 46 46 TYR CA C 13 57.77 0.00 . 1 . . . . . . . . 5000 1 385 . 1 1 46 46 TYR CB C 13 42.63 0.00 . 1 . . . . . . . . 5000 1 386 . 1 1 46 46 TYR N N 15 126.55 0.00 . 1 . . . . . . . . 5000 1 387 . 1 1 47 47 LYS H H 1 8.62 0.00 . 1 . . . . . . . . 5000 1 388 . 1 1 47 47 LYS HA H 1 4.33 0.00 . 1 . . . . . . . . 5000 1 389 . 1 1 47 47 LYS HB3 H 1 1.90 0.00 . 1 . . . . . . . . 5000 1 390 . 1 1 47 47 LYS HG2 H 1 1.44 0.00 . 1 . . . . . . . . 5000 1 391 . 1 1 47 47 LYS HG3 H 1 1.46 0.00 . 1 . . . . . . . . 5000 1 392 . 1 1 47 47 LYS HD3 H 1 1.71 0.00 . 1 . . . . . . . . 5000 1 393 . 1 1 47 47 LYS HE3 H 1 3.07 0.00 . 1 . . . . . . . . 5000 1 394 . 1 1 47 47 LYS CA C 13 55.02 0.00 . 1 . . . . . . . . 5000 1 395 . 1 1 47 47 LYS CB C 13 32.44 0.00 . 1 . . . . . . . . 5000 1 396 . 1 1 47 47 LYS CG C 13 25.28 0.00 . 1 . . . . . . . . 5000 1 397 . 1 1 47 47 LYS CD C 13 29.13 0.00 . 1 . . . . . . . . 5000 1 398 . 1 1 47 47 LYS CE C 13 41.52 0.00 . 1 . . . . . . . . 5000 1 399 . 1 1 47 47 LYS N N 15 122.17 0.00 . 1 . . . . . . . . 5000 1 400 . 1 1 48 48 SER H H 1 8.62 0.00 . 1 . . . . . . . . 5000 1 401 . 1 1 48 48 SER HA H 1 5.26 0.00 . 1 . . . . . . . . 5000 1 402 . 1 1 48 48 SER HB2 H 1 3.71 0.00 . 1 . . . . . . . . 5000 1 403 . 1 1 48 48 SER HB3 H 1 3.75 0.00 . 1 . . . . . . . . 5000 1 404 . 1 1 48 48 SER CA C 13 56.94 0.00 . 1 . . . . . . . . 5000 1 405 . 1 1 48 48 SER CB C 13 63.92 0.00 . 1 . . . . . . . . 5000 1 406 . 1 1 48 48 SER N N 15 121.97 0.00 . 1 . . . . . . . . 5000 1 407 . 1 1 49 49 ILE H H 1 8.39 0.00 . 1 . . . . . . . . 5000 1 408 . 1 1 49 49 ILE HA H 1 3.82 0.00 . 1 . . . . . . . . 5000 1 409 . 1 1 49 49 ILE HB H 1 1.69 0.00 . 1 . . . . . . . . 5000 1 410 . 1 1 49 49 ILE HG12 H 1 1.07 0.00 . 1 . . . . . . . . 5000 1 411 . 1 1 49 49 ILE HG13 H 1 1.09 0.00 . 1 . . . . . . . . 5000 1 412 . 1 1 49 49 ILE HG21 H 1 -0.05 0.00 . 1 . . . . . . . . 5000 1 413 . 1 1 49 49 ILE HG22 H 1 -0.05 0.00 . 1 . . . . . . . . 5000 1 414 . 1 1 49 49 ILE HG23 H 1 -0.05 0.00 . 1 . . . . . . . . 5000 1 415 . 1 1 49 49 ILE HD11 H 1 0.84 0.00 . 1 . . . . . . . . 5000 1 416 . 1 1 49 49 ILE HD12 H 1 0.84 0.00 . 1 . . . . . . . . 5000 1 417 . 1 1 49 49 ILE HD13 H 1 0.84 0.00 . 1 . . . . . . . . 5000 1 418 . 1 1 49 49 ILE CA C 13 56.12 0.00 . 1 . . . . . . . . 5000 1 419 . 1 1 49 49 ILE CB C 13 37.67 0.00 . 1 . . . . . . . . 5000 1 420 . 1 1 49 49 ILE CG1 C 13 26.10 0.00 . 1 . . . . . . . . 5000 1 421 . 1 1 49 49 ILE CG2 C 13 15.09 0.00 . 1 . . . . . . . . 5000 1 422 . 1 1 49 49 ILE CD1 C 13 12.06 0.00 . 1 . . . . . . . . 5000 1 423 . 1 1 49 49 ILE N N 15 125.11 0.00 . 1 . . . . . . . . 5000 1 424 . 1 1 50 50 PRO HA H 1 4.26 0.00 . 1 . . . . . . . . 5000 1 425 . 1 1 50 50 PRO HB3 H 1 2.32 0.00 . 1 . . . . . . . . 5000 1 426 . 1 1 50 50 PRO HG3 H 1 1.01 0.00 . 1 . . . . . . . . 5000 1 427 . 1 1 50 50 PRO HD3 H 1 3.69 0.00 . 1 . . . . . . . . 5000 1 428 . 1 1 50 50 PRO CA C 13 61.35 0.00 . 1 . . . . . . . . 5000 1 429 . 1 1 50 50 PRO CB C 13 30.51 0.00 . 1 . . . . . . . . 5000 1 430 . 1 1 50 50 PRO CG C 13 26.10 0.00 . 1 . . . . . . . . 5000 1 431 . 1 1 50 50 PRO CD C 13 47.03 0.00 . 1 . . . . . . . . 5000 1 432 . 1 1 51 51 VAL H H 1 7.60 0.00 . 1 . . . . . . . . 5000 1 433 . 1 1 51 51 VAL HA H 1 3.99 0.00 . 1 . . . . . . . . 5000 1 434 . 1 1 51 51 VAL HB H 1 2.18 0.00 . 1 . . . . . . . . 5000 1 435 . 1 1 51 51 VAL HG11 H 1 1.22 0.00 . 1 . . . . . . . . 5000 1 436 . 1 1 51 51 VAL HG12 H 1 1.22 0.00 . 1 . . . . . . . . 5000 1 437 . 1 1 51 51 VAL HG13 H 1 1.22 0.00 . 1 . . . . . . . . 5000 1 438 . 1 1 51 51 VAL HG21 H 1 0.41 0.00 . 1 . . . . . . . . 5000 1 439 . 1 1 51 51 VAL HG22 H 1 0.41 0.00 . 1 . . . . . . . . 5000 1 440 . 1 1 51 51 VAL HG23 H 1 0.41 0.00 . 1 . . . . . . . . 5000 1 441 . 1 1 51 51 VAL CA C 13 62.73 0.00 . 1 . . . . . . . . 5000 1 442 . 1 1 51 51 VAL CG1 C 13 22.25 0.00 . 1 . . . . . . . . 5000 1 443 . 1 1 51 51 VAL CG2 C 13 17.57 0.00 . 1 . . . . . . . . 5000 1 444 . 1 1 51 51 VAL N N 15 116.96 0.00 . 1 . . . . . . . . 5000 1 445 . 1 1 52 52 GLU H H 1 8.05 0.00 . 1 . . . . . . . . 5000 1 446 . 1 1 52 52 GLU HA H 1 4.02 0.00 . 1 . . . . . . . . 5000 1 447 . 1 1 52 52 GLU HB2 H 1 1.75 0.00 . 1 . . . . . . . . 5000 1 448 . 1 1 52 52 GLU HB3 H 1 2.02 0.00 . 1 . . . . . . . . 5000 1 449 . 1 1 52 52 GLU HG2 H 1 2.18 0.00 . 1 . . . . . . . . 5000 1 450 . 1 1 52 52 GLU HG3 H 1 2.40 0.00 . 1 . . . . . . . . 5000 1 451 . 1 1 52 52 GLU CA C 13 56.67 0.00 . 1 . . . . . . . . 5000 1 452 . 1 1 52 52 GLU CB C 13 29.41 0.00 . 1 . . . . . . . . 5000 1 453 . 1 1 52 52 GLU CG C 13 36.57 0.00 . 1 . . . . . . . . 5000 1 454 . 1 1 52 52 GLU N N 15 120.09 0.00 . 1 . . . . . . . . 5000 1 455 . 1 1 53 53 ASP H H 1 9.09 0.00 . 1 . . . . . . . . 5000 1 456 . 1 1 53 53 ASP HA H 1 4.99 0.00 . 1 . . . . . . . . 5000 1 457 . 1 1 53 53 ASP HB2 H 1 2.84 0.00 . 1 . . . . . . . . 5000 1 458 . 1 1 53 53 ASP HB3 H 1 3.07 0.00 . 1 . . . . . . . . 5000 1 459 . 1 1 53 53 ASP N N 15 120.25 0.00 . 1 . . . . . . . . 5000 1 460 . 1 1 54 54 ASN H H 1 7.15 0.00 . 1 . . . . . . . . 5000 1 461 . 1 1 54 54 ASN HA H 1 4.15 0.00 . 1 . . . . . . . . 5000 1 462 . 1 1 54 54 ASN HB2 H 1 2.71 0.00 . 1 . . . . . . . . 5000 1 463 . 1 1 54 54 ASN HB3 H 1 3.10 0.00 . 1 . . . . . . . . 5000 1 464 . 1 1 54 54 ASN CB C 13 42.08 0.00 . 1 . . . . . . . . 5000 1 465 . 1 1 54 54 ASN N N 15 117.17 0.00 . 1 . . . . . . . . 5000 1 466 . 1 1 56 56 MET HA H 1 4.62 0.00 . 1 . . . . . . . . 5000 1 467 . 1 1 56 56 MET HB2 H 1 2.09 0.00 . 1 . . . . . . . . 5000 1 468 . 1 1 56 56 MET HG2 H 1 2.31 0.00 . 1 . . . . . . . . 5000 1 469 . 1 1 56 56 MET HE1 H 1 1.91 0.00 . 1 . . . . . . . . 5000 1 470 . 1 1 56 56 MET HE2 H 1 1.91 0.00 . 1 . . . . . . . . 5000 1 471 . 1 1 56 56 MET HE3 H 1 1.91 0.00 . 1 . . . . . . . . 5000 1 472 . 1 1 56 56 MET CA C 13 55.84 0.00 . 1 . . . . . . . . 5000 1 473 . 1 1 56 56 MET CB C 13 30.79 0.00 . 1 . . . . . . . . 5000 1 474 . 1 1 56 56 MET CG C 13 31.89 0.00 . 1 . . . . . . . . 5000 1 475 . 1 1 56 56 MET CE C 13 16.19 0.00 . 1 . . . . . . . . 5000 1 476 . 1 1 57 57 VAL H H 1 7.57 0.00 . 1 . . . . . . . . 5000 1 477 . 1 1 57 57 VAL HA H 1 3.99 0.00 . 1 . . . . . . . . 5000 1 478 . 1 1 57 57 VAL HB H 1 2.60 0.00 . 1 . . . . . . . . 5000 1 479 . 1 1 57 57 VAL HG11 H 1 1.21 0.00 . 1 . . . . . . . . 5000 1 480 . 1 1 57 57 VAL HG12 H 1 1.21 0.00 . 1 . . . . . . . . 5000 1 481 . 1 1 57 57 VAL HG13 H 1 1.21 0.00 . 1 . . . . . . . . 5000 1 482 . 1 1 57 57 VAL HG21 H 1 0.34 0.00 . 1 . . . . . . . . 5000 1 483 . 1 1 57 57 VAL HG22 H 1 0.34 0.00 . 1 . . . . . . . . 5000 1 484 . 1 1 57 57 VAL HG23 H 1 0.34 0.00 . 1 . . . . . . . . 5000 1 485 . 1 1 57 57 VAL CA C 13 62.45 0.00 . 1 . . . . . . . . 5000 1 486 . 1 1 57 57 VAL CB C 13 32.99 0.00 . 1 . . . . . . . . 5000 1 487 . 1 1 57 57 VAL CG1 C 13 19.22 0.00 . 1 . . . . . . . . 5000 1 488 . 1 1 57 57 VAL CG2 C 13 21.70 0.00 . 1 . . . . . . . . 5000 1 489 . 1 1 57 57 VAL N N 15 121.97 0.00 . 1 . . . . . . . . 5000 1 490 . 1 1 58 58 GLU H H 1 9.14 0.00 . 1 . . . . . . . . 5000 1 491 . 1 1 58 58 GLU HA H 1 4.66 0.00 . 1 . . . . . . . . 5000 1 492 . 1 1 58 58 GLU HB2 H 1 1.13 0.00 . 1 . . . . . . . . 5000 1 493 . 1 1 58 58 GLU HB3 H 1 1.92 0.00 . 1 . . . . . . . . 5000 1 494 . 1 1 58 58 GLU HG3 H 1 2.15 0.00 . 1 . . . . . . . . 5000 1 495 . 1 1 58 58 GLU CA C 13 53.92 0.00 . 1 . . . . . . . . 5000 1 496 . 1 1 58 58 GLU CB C 13 26.93 0.00 . 1 . . . . . . . . 5000 1 497 . 1 1 58 58 GLU CG C 13 36.02 0.00 . 1 . . . . . . . . 5000 1 498 . 1 1 58 58 GLU N N 15 132.18 0.00 . 1 . . . . . . . . 5000 1 499 . 1 1 59 59 ILE H H 1 7.90 0.00 . 1 . . . . . . . . 5000 1 500 . 1 1 59 59 ILE HA H 1 3.98 0.00 . 1 . . . . . . . . 5000 1 501 . 1 1 59 59 ILE HB H 1 1.18 0.00 . 1 . . . . . . . . 5000 1 502 . 1 1 59 59 ILE HG12 H 1 1.17 0.00 . 1 . . . . . . . . 5000 1 503 . 1 1 59 59 ILE HG13 H 1 1.16 0.00 . 1 . . . . . . . . 5000 1 504 . 1 1 59 59 ILE HG21 H 1 0.25 0.00 . 1 . . . . . . . . 5000 1 505 . 1 1 59 59 ILE HG22 H 1 0.25 0.00 . 1 . . . . . . . . 5000 1 506 . 1 1 59 59 ILE HG23 H 1 0.25 0.00 . 1 . . . . . . . . 5000 1 507 . 1 1 59 59 ILE HD11 H 1 0.39 0.00 . 1 . . . . . . . . 5000 1 508 . 1 1 59 59 ILE HD12 H 1 0.39 0.00 . 1 . . . . . . . . 5000 1 509 . 1 1 59 59 ILE HD13 H 1 0.39 0.00 . 1 . . . . . . . . 5000 1 510 . 1 1 59 59 ILE CA C 13 63.83 0.00 . 1 . . . . . . . . 5000 1 511 . 1 1 59 59 ILE CB C 13 30.23 0.00 . 1 . . . . . . . . 5000 1 512 . 1 1 59 59 ILE CG1 C 13 29.13 0.00 . 1 . . . . . . . . 5000 1 513 . 1 1 59 59 ILE CG2 C 13 16.19 0.00 . 1 . . . . . . . . 5000 1 514 . 1 1 59 59 ILE CD1 C 13 13.99 0.00 . 1 . . . . . . . . 5000 1 515 . 1 1 59 59 ILE N N 15 128.43 0.00 . 1 . . . . . . . . 5000 1 516 . 1 1 60 60 SER HA H 1 4.71 0.00 . 1 . . . . . . . . 5000 1 517 . 1 1 60 60 SER HB3 H 1 3.50 0.00 . 1 . . . . . . . . 5000 1 518 . 1 1 60 60 SER CA C 13 60.25 0.00 . 1 . . . . . . . . 5000 1 519 . 1 1 61 61 ALA H H 1 7.29 0.00 . 1 . . . . . . . . 5000 1 520 . 1 1 61 61 ALA HA H 1 4.03 0.00 . 1 . . . . . . . . 5000 1 521 . 1 1 61 61 ALA HB1 H 1 1.14 0.00 . 1 . . . . . . . . 5000 1 522 . 1 1 61 61 ALA HB2 H 1 1.14 0.00 . 1 . . . . . . . . 5000 1 523 . 1 1 61 61 ALA HB3 H 1 1.14 0.00 . 1 . . . . . . . . 5000 1 524 . 1 1 61 61 ALA CA C 13 53.09 0.00 . 1 . . . . . . . . 5000 1 525 . 1 1 61 61 ALA CB C 13 18.12 0.00 . 1 . . . . . . . . 5000 1 526 . 1 1 61 61 ALA N N 15 126.10 0.00 . 1 . . . . . . . . 5000 1 527 . 1 1 62 62 TRP H H 1 7.93 0.00 . 1 . . . . . . . . 5000 1 528 . 1 1 62 62 TRP HA H 1 4.60 0.00 . 1 . . . . . . . . 5000 1 529 . 1 1 62 62 TRP HB3 H 1 3.00 0.00 . 1 . . . . . . . . 5000 1 530 . 1 1 62 62 TRP HD1 H 1 7.04 0.00 . 1 . . . . . . . . 5000 1 531 . 1 1 62 62 TRP HE1 H 1 7.69 0.00 . 1 . . . . . . . . 5000 1 532 . 1 1 62 62 TRP HZ2 H 1 7.47 0.00 . 1 . . . . . . . . 5000 1 533 . 1 1 62 62 TRP CA C 13 57.22 0.00 . 1 . . . . . . . . 5000 1 534 . 1 1 62 62 TRP CB C 13 30.23 0.00 . 1 . . . . . . . . 5000 1 535 . 1 1 62 62 TRP N N 15 116.13 0.00 . 1 . . . . . . . . 5000 1 536 . 1 1 63 63 PHE H H 1 7.38 0.00 . 1 . . . . . . . . 5000 1 537 . 1 1 63 63 PHE HA H 1 4.37 0.00 . 1 . . . . . . . . 5000 1 538 . 1 1 63 63 PHE HB2 H 1 2.73 0.00 . 1 . . . . . . . . 5000 1 539 . 1 1 63 63 PHE HB3 H 1 3.15 0.00 . 1 . . . . . . . . 5000 1 540 . 1 1 63 63 PHE HD1 H 1 6.35 0.00 . 3 . . . . . . . . 5000 1 541 . 1 1 63 63 PHE HE1 H 1 6.66 0.00 . 3 . . . . . . . . 5000 1 542 . 1 1 63 63 PHE CA C 13 57.50 0.00 . 1 . . . . . . . . 5000 1 543 . 1 1 63 63 PHE CB C 13 36.02 0.00 . 1 . . . . . . . . 5000 1 544 . 1 1 63 63 PHE N N 15 118.61 0.00 . 1 . . . . . . . . 5000 1 545 . 1 1 64 64 GLN H H 1 8.97 0.00 . 1 . . . . . . . . 5000 1 546 . 1 1 64 64 GLN HA H 1 4.34 0.00 . 1 . . . . . . . . 5000 1 547 . 1 1 64 64 GLN N N 15 118.00 0.00 . 1 . . . . . . . . 5000 1 548 . 1 1 65 65 GLU H H 1 8.81 0.00 . 1 . . . . . . . . 5000 1 549 . 1 1 65 65 GLU HA H 1 4.23 0.00 . 1 . . . . . . . . 5000 1 550 . 1 1 65 65 GLU HB2 H 1 2.02 0.00 . 1 . . . . . . . . 5000 1 551 . 1 1 65 65 GLU HB3 H 1 2.13 0.00 . 1 . . . . . . . . 5000 1 552 . 1 1 65 65 GLU HG2 H 1 2.34 0.00 . 1 . . . . . . . . 5000 1 553 . 1 1 65 65 GLU HG3 H 1 2.60 0.00 . 1 . . . . . . . . 5000 1 554 . 1 1 65 65 GLU CA C 13 58.87 0.00 . 1 . . . . . . . . 5000 1 555 . 1 1 65 65 GLU CB C 13 29.68 0.00 . 1 . . . . . . . . 5000 1 556 . 1 1 65 65 GLU CG C 13 36.29 0.00 . 1 . . . . . . . . 5000 1 557 . 1 1 65 65 GLU N N 15 122.57 0.00 . 1 . . . . . . . . 5000 1 558 . 1 1 66 66 ALA H H 1 8.54 0.00 . 1 . . . . . . . . 5000 1 559 . 1 1 66 66 ALA HA H 1 4.07 0.00 . 1 . . . . . . . . 5000 1 560 . 1 1 66 66 ALA HB1 H 1 1.63 0.00 . 1 . . . . . . . . 5000 1 561 . 1 1 66 66 ALA HB2 H 1 1.63 0.00 . 1 . . . . . . . . 5000 1 562 . 1 1 66 66 ALA HB3 H 1 1.63 0.00 . 1 . . . . . . . . 5000 1 563 . 1 1 66 66 ALA CA C 13 55.02 0.00 . 1 . . . . . . . . 5000 1 564 . 1 1 66 66 ALA CB C 13 19.50 0.00 . 1 . . . . . . . . 5000 1 565 . 1 1 66 66 ALA N N 15 121.97 0.00 . 1 . . . . . . . . 5000 1 566 . 1 1 67 67 ILE H H 1 9.07 0.00 . 1 . . . . . . . . 5000 1 567 . 1 1 67 67 ILE HA H 1 3.82 0.00 . 1 . . . . . . . . 5000 1 568 . 1 1 67 67 ILE HB H 1 2.06 0.00 . 1 . . . . . . . . 5000 1 569 . 1 1 67 67 ILE HG12 H 1 1.13 0.00 . 1 . . . . . . . . 5000 1 570 . 1 1 67 67 ILE HG13 H 1 1.16 0.00 . 1 . . . . . . . . 5000 1 571 . 1 1 67 67 ILE HG21 H 1 1.13 0.00 . 1 . . . . . . . . 5000 1 572 . 1 1 67 67 ILE HG22 H 1 1.13 0.00 . 1 . . . . . . . . 5000 1 573 . 1 1 67 67 ILE HG23 H 1 1.13 0.00 . 1 . . . . . . . . 5000 1 574 . 1 1 67 67 ILE HD11 H 1 0.82 0.00 . 1 . . . . . . . . 5000 1 575 . 1 1 67 67 ILE HD12 H 1 0.82 0.00 . 1 . . . . . . . . 5000 1 576 . 1 1 67 67 ILE HD13 H 1 0.82 0.00 . 1 . . . . . . . . 5000 1 577 . 1 1 67 67 ILE CA C 13 66.03 0.00 . 1 . . . . . . . . 5000 1 578 . 1 1 67 67 ILE CB C 13 38.50 0.00 . 1 . . . . . . . . 5000 1 579 . 1 1 67 67 ILE CG1 C 13 30.23 0.00 . 1 . . . . . . . . 5000 1 580 . 1 1 67 67 ILE CG2 C 13 15.90 0.00 . 1 . . . . . . . . 5000 1 581 . 1 1 67 67 ILE CD1 C 13 13.71 0.00 . 1 . . . . . . . . 5000 1 582 . 1 1 67 67 ILE N N 15 119.05 0.00 . 1 . . . . . . . . 5000 1 583 . 1 1 68 68 GLY HA2 H 1 3.78 0.00 . 1 . . . . . . . . 5000 1 584 . 1 1 68 68 GLY HA3 H 1 4.12 0.00 . 1 . . . . . . . . 5000 1 585 . 1 1 68 68 GLY CA C 13 46.76 0.00 . 1 . . . . . . . . 5000 1 586 . 1 1 69 69 PHE H H 1 7.87 0.00 . 1 . . . . . . . . 5000 1 587 . 1 1 69 69 PHE HA H 1 4.66 0.00 . 1 . . . . . . . . 5000 1 588 . 1 1 69 69 PHE HB2 H 1 3.29 0.00 . 1 . . . . . . . . 5000 1 589 . 1 1 69 69 PHE HB3 H 1 3.57 0.00 . 1 . . . . . . . . 5000 1 590 . 1 1 69 69 PHE HD1 H 1 7.20 0.00 . 3 . . . . . . . . 5000 1 591 . 1 1 69 69 PHE CA C 13 61.35 0.00 . 1 . . . . . . . . 5000 1 592 . 1 1 69 69 PHE CB C 13 39.05 0.00 . 1 . . . . . . . . 5000 1 593 . 1 1 69 69 PHE N N 15 123.45 0.00 . 1 . . . . . . . . 5000 1 594 . 1 1 70 70 ILE H H 1 8.36 0.00 . 1 . . . . . . . . 5000 1 595 . 1 1 70 70 ILE HA H 1 3.32 0.00 . 1 . . . . . . . . 5000 1 596 . 1 1 70 70 ILE HB H 1 1.74 0.00 . 1 . . . . . . . . 5000 1 597 . 1 1 70 70 ILE HG12 H 1 0.69 0.00 . 1 . . . . . . . . 5000 1 598 . 1 1 70 70 ILE HG13 H 1 2.07 0.00 . 1 . . . . . . . . 5000 1 599 . 1 1 70 70 ILE HG21 H 1 0.17 0.00 . 1 . . . . . . . . 5000 1 600 . 1 1 70 70 ILE HG22 H 1 0.17 0.00 . 1 . . . . . . . . 5000 1 601 . 1 1 70 70 ILE HG23 H 1 0.17 0.00 . 1 . . . . . . . . 5000 1 602 . 1 1 70 70 ILE HD11 H 1 0.51 0.00 . 1 . . . . . . . . 5000 1 603 . 1 1 70 70 ILE HD12 H 1 0.51 0.00 . 1 . . . . . . . . 5000 1 604 . 1 1 70 70 ILE HD13 H 1 0.51 0.00 . 1 . . . . . . . . 5000 1 605 . 1 1 70 70 ILE CA C 13 66.58 0.00 . 1 . . . . . . . . 5000 1 606 . 1 1 70 70 ILE CB C 13 37.67 0.00 . 1 . . . . . . . . 5000 1 607 . 1 1 70 70 ILE CG1 C 13 29.41 0.00 . 1 . . . . . . . . 5000 1 608 . 1 1 70 70 ILE CG2 C 13 15.91 0.00 . 1 . . . . . . . . 5000 1 609 . 1 1 70 70 ILE CD1 C 13 13.71 0.00 . 1 . . . . . . . . 5000 1 610 . 1 1 70 70 ILE N N 15 120.09 0.00 . 1 . . . . . . . . 5000 1 611 . 1 1 71 71 ASP H H 1 8.77 0.00 . 1 . . . . . . . . 5000 1 612 . 1 1 71 71 ASP HA H 1 4.62 0.00 . 1 . . . . . . . . 5000 1 613 . 1 1 71 71 ASP HB2 H 1 2.64 0.00 . 1 . . . . . . . . 5000 1 614 . 1 1 71 71 ASP HB3 H 1 2.83 0.00 . 1 . . . . . . . . 5000 1 615 . 1 1 71 71 ASP CA C 13 57.77 0.00 . 1 . . . . . . . . 5000 1 616 . 1 1 71 71 ASP CB C 13 40.70 0.00 . 1 . . . . . . . . 5000 1 617 . 1 1 71 71 ASP N N 15 118.21 0.00 . 1 . . . . . . . . 5000 1 618 . 1 1 72 72 TRP H H 1 8.26 0.00 . 1 . . . . . . . . 5000 1 619 . 1 1 72 72 TRP HA H 1 4.17 0.00 . 1 . . . . . . . . 5000 1 620 . 1 1 72 72 TRP HB2 H 1 3.38 0.00 . 1 . . . . . . . . 5000 1 621 . 1 1 72 72 TRP HB3 H 1 3.60 0.00 . 1 . . . . . . . . 5000 1 622 . 1 1 72 72 TRP HE1 H 1 7.31 0.00 . 1 . . . . . . . . 5000 1 623 . 1 1 72 72 TRP CA C 13 62.45 0.00 . 1 . . . . . . . . 5000 1 624 . 1 1 72 72 TRP CB C 13 27.20 0.00 . 1 . . . . . . . . 5000 1 625 . 1 1 72 72 TRP N N 15 123.22 0.00 . 1 . . . . . . . . 5000 1 626 . 1 1 73 73 VAL H H 1 8.25 0.00 . 1 . . . . . . . . 5000 1 627 . 1 1 73 73 VAL HA H 1 4.35 0.00 . 1 . . . . . . . . 5000 1 628 . 1 1 73 73 VAL HB H 1 1.96 0.00 . 1 . . . . . . . . 5000 1 629 . 1 1 73 73 VAL HG11 H 1 0.37 0.00 . 1 . . . . . . . . 5000 1 630 . 1 1 73 73 VAL HG12 H 1 0.37 0.00 . 1 . . . . . . . . 5000 1 631 . 1 1 73 73 VAL HG13 H 1 0.37 0.00 . 1 . . . . . . . . 5000 1 632 . 1 1 73 73 VAL HG21 H 1 0.55 0.00 . 1 . . . . . . . . 5000 1 633 . 1 1 73 73 VAL HG22 H 1 0.55 0.00 . 1 . . . . . . . . 5000 1 634 . 1 1 73 73 VAL HG23 H 1 0.55 0.00 . 1 . . . . . . . . 5000 1 635 . 1 1 73 73 VAL CA C 13 65.76 0.00 . 1 . . . . . . . . 5000 1 636 . 1 1 73 73 VAL CB C 13 30.23 0.00 . 1 . . . . . . . . 5000 1 637 . 1 1 73 73 VAL CG1 C 13 21.15 0.00 . 1 . . . . . . . . 5000 1 638 . 1 1 73 73 VAL CG2 C 13 20.05 0.00 . 1 . . . . . . . . 5000 1 639 . 1 1 73 73 VAL N N 15 122.38 0.00 . 1 . . . . . . . . 5000 1 640 . 1 1 74 74 LYS H H 1 8.59 0.00 . 1 . . . . . . . . 5000 1 641 . 1 1 74 74 LYS N N 15 122.17 0.00 . 1 . . . . . . . . 5000 1 642 . 1 1 75 75 ASN H H 1 8.52 0.00 . 1 . . . . . . . . 5000 1 643 . 1 1 75 75 ASN HA H 1 4.36 0.00 . 1 . . . . . . . . 5000 1 644 . 1 1 75 75 ASN HB3 H 1 2.74 0.00 . 1 . . . . . . . . 5000 1 645 . 1 1 75 75 ASN CA C 13 55.02 0.00 . 1 . . . . . . . . 5000 1 646 . 1 1 75 75 ASN CB C 13 37.95 0.00 . 1 . . . . . . . . 5000 1 647 . 1 1 75 75 ASN N N 15 118.21 0.00 . 1 . . . . . . . . 5000 1 648 . 1 1 76 76 SER H H 1 7.50 0.00 . 1 . . . . . . . . 5000 1 649 . 1 1 76 76 SER HA H 1 4.29 0.00 . 1 . . . . . . . . 5000 1 650 . 1 1 76 76 SER HB2 H 1 3.22 0.00 . 1 . . . . . . . . 5000 1 651 . 1 1 76 76 SER HB3 H 1 3.60 0.00 . 1 . . . . . . . . 5000 1 652 . 1 1 76 76 SER CA C 13 57.31 0.00 . 1 . . . . . . . . 5000 1 653 . 1 1 76 76 SER CB C 13 62.18 0.00 . 1 . . . . . . . . 5000 1 654 . 1 1 76 76 SER N N 15 114.63 0.00 . 1 . . . . . . . . 5000 1 655 . 1 1 77 77 GLY H H 1 7.63 0.00 . 1 . . . . . . . . 5000 1 656 . 1 1 77 77 GLY HA2 H 1 3.81 0.00 . 1 . . . . . . . . 5000 1 657 . 1 1 77 77 GLY HA3 H 1 4.13 0.00 . 1 . . . . . . . . 5000 1 658 . 1 1 77 77 GLY CA C 13 45.10 0.00 . 1 . . . . . . . . 5000 1 659 . 1 1 77 77 GLY N N 15 109.67 0.00 . 1 . . . . . . . . 5000 1 660 . 1 1 78 78 GLY H H 1 7.74 0.00 . 1 . . . . . . . . 5000 1 661 . 1 1 78 78 GLY HA2 H 1 3.56 0.00 . 1 . . . . . . . . 5000 1 662 . 1 1 78 78 GLY HA3 H 1 4.38 0.00 . 1 . . . . . . . . 5000 1 663 . 1 1 78 78 GLY CA C 13 43.45 0.00 . 1 . . . . . . . . 5000 1 664 . 1 1 78 78 GLY N N 15 108.00 0.00 . 1 . . . . . . . . 5000 1 665 . 1 1 79 79 ARG H H 1 7.89 0.00 . 1 . . . . . . . . 5000 1 666 . 1 1 79 79 ARG HA H 1 4.86 0.00 . 1 . . . . . . . . 5000 1 667 . 1 1 79 79 ARG HB3 H 1 1.93 0.00 . 1 . . . . . . . . 5000 1 668 . 1 1 79 79 ARG HG3 H 1 1.50 0.00 . 1 . . . . . . . . 5000 1 669 . 1 1 79 79 ARG HD2 H 1 3.55 0.00 . 1 . . . . . . . . 5000 1 670 . 1 1 79 79 ARG HD3 H 1 3.49 0.00 . 1 . . . . . . . . 5000 1 671 . 1 1 79 79 ARG CA C 13 53.92 0.00 . 1 . . . . . . . . 5000 1 672 . 1 1 79 79 ARG CB C 13 34.37 0.00 . 1 . . . . . . . . 5000 1 673 . 1 1 79 79 ARG CG C 13 27.48 0.00 . 1 . . . . . . . . 5000 1 674 . 1 1 79 79 ARG CD C 13 43.45 0.00 . 1 . . . . . . . . 5000 1 675 . 1 1 79 79 ARG N N 15 114.46 0.00 . 1 . . . . . . . . 5000 1 676 . 1 1 80 80 VAL H H 1 9.05 0.00 . 1 . . . . . . . . 5000 1 677 . 1 1 80 80 VAL HA H 1 5.46 0.00 . 1 . . . . . . . . 5000 1 678 . 1 1 80 80 VAL HB H 1 2.06 0.00 . 1 . . . . . . . . 5000 1 679 . 1 1 80 80 VAL HG11 H 1 1.25 0.00 . 1 . . . . . . . . 5000 1 680 . 1 1 80 80 VAL HG12 H 1 1.25 0.00 . 1 . . . . . . . . 5000 1 681 . 1 1 80 80 VAL HG13 H 1 1.25 0.00 . 1 . . . . . . . . 5000 1 682 . 1 1 80 80 VAL HG21 H 1 0.95 0.00 . 1 . . . . . . . . 5000 1 683 . 1 1 80 80 VAL HG22 H 1 0.95 0.00 . 1 . . . . . . . . 5000 1 684 . 1 1 80 80 VAL HG23 H 1 0.95 0.00 . 1 . . . . . . . . 5000 1 685 . 1 1 80 80 VAL CA C 13 56.95 0.00 . 1 . . . . . . . . 5000 1 686 . 1 1 80 80 VAL CB C 13 35.47 0.00 . 1 . . . . . . . . 5000 1 687 . 1 1 80 80 VAL CG1 C 13 20.87 0.00 . 1 . . . . . . . . 5000 1 688 . 1 1 80 80 VAL CG2 C 13 23.07 0.00 . 1 . . . . . . . . 5000 1 689 . 1 1 80 80 VAL N N 15 123.22 0.00 . 1 . . . . . . . . 5000 1 690 . 1 1 81 81 LEU H H 1 8.47 0.00 . 1 . . . . . . . . 5000 1 691 . 1 1 81 81 LEU HA H 1 4.80 0.00 . 1 . . . . . . . . 5000 1 692 . 1 1 81 81 LEU HB3 H 1 1.92 0.00 . 1 . . . . . . . . 5000 1 693 . 1 1 81 81 LEU CA C 13 52.81 0.00 . 1 . . . . . . . . 5000 1 694 . 1 1 81 81 LEU CB C 13 41.52 0.00 . 1 . . . . . . . . 5000 1 695 . 1 1 81 81 LEU N N 15 127.39 0.00 . 1 . . . . . . . . 5000 1 696 . 1 1 82 82 VAL H H 1 9.61 0.00 . 1 . . . . . . . . 5000 1 697 . 1 1 82 82 VAL HA H 1 5.08 0.00 . 1 . . . . . . . . 5000 1 698 . 1 1 82 82 VAL HB H 1 2.10 0.00 . 1 . . . . . . . . 5000 1 699 . 1 1 82 82 VAL HG11 H 1 0.96 0.00 . 1 . . . . . . . . 5000 1 700 . 1 1 82 82 VAL HG12 H 1 0.96 0.00 . 1 . . . . . . . . 5000 1 701 . 1 1 82 82 VAL HG13 H 1 0.96 0.00 . 1 . . . . . . . . 5000 1 702 . 1 1 82 82 VAL HG21 H 1 0.95 0.00 . 1 . . . . . . . . 5000 1 703 . 1 1 82 82 VAL HG22 H 1 0.95 0.00 . 1 . . . . . . . . 5000 1 704 . 1 1 82 82 VAL HG23 H 1 0.95 0.00 . 1 . . . . . . . . 5000 1 705 . 1 1 82 82 VAL CA C 13 61.08 0.00 . 1 . . . . . . . . 5000 1 706 . 1 1 82 82 VAL CB C 13 31.32 0.00 . 1 . . . . . . . . 5000 1 707 . 1 1 82 82 VAL CG1 C 13 21.43 0.00 . 1 . . . . . . . . 5000 1 708 . 1 1 82 82 VAL CG2 C 13 21.42 0.00 . 1 . . . . . . . . 5000 1 709 . 1 1 82 82 VAL N N 15 130.73 0.00 . 1 . . . . . . . . 5000 1 710 . 1 1 83 83 HIS H H 1 8.94 0.00 . 1 . . . . . . . . 5000 1 711 . 1 1 83 83 HIS HA H 1 5.95 0.00 . 1 . . . . . . . . 5000 1 712 . 1 1 83 83 HIS HB2 H 1 2.33 0.00 . 1 . . . . . . . . 5000 1 713 . 1 1 83 83 HIS HB3 H 1 3.13 0.00 . 1 . . . . . . . . 5000 1 714 . 1 1 83 83 HIS HD2 H 1 6.57 0.00 . 1 . . . . . . . . 5000 1 715 . 1 1 83 83 HIS HE1 H 1 7.17 0.00 . 1 . . . . . . . . 5000 1 716 . 1 1 83 83 HIS CA C 13 53.09 0.00 . 1 . . . . . . . . 5000 1 717 . 1 1 83 83 HIS CB C 13 32.99 0.00 . 1 . . . . . . . . 5000 1 718 . 1 1 83 83 HIS N N 15 122.80 0.00 . 1 . . . . . . . . 5000 1 719 . 1 1 86 86 ALA H H 1 10.07 0.00 . 1 . . . . . . . . 5000 1 720 . 1 1 86 86 ALA HA H 1 4.70 0.00 . 1 . . . . . . . . 5000 1 721 . 1 1 86 86 ALA HB1 H 1 1.70 0.00 . 1 . . . . . . . . 5000 1 722 . 1 1 86 86 ALA HB2 H 1 1.70 0.00 . 1 . . . . . . . . 5000 1 723 . 1 1 86 86 ALA HB3 H 1 1.70 0.00 . 1 . . . . . . . . 5000 1 724 . 1 1 86 86 ALA CA C 13 52.26 0.00 . 1 . . . . . . . . 5000 1 725 . 1 1 86 86 ALA CB C 13 19.50 0.00 . 1 . . . . . . . . 5000 1 726 . 1 1 86 86 ALA N N 15 122.17 0.00 . 1 . . . . . . . . 5000 1 727 . 1 1 87 87 GLY H H 1 7.88 0.00 . 1 . . . . . . . . 5000 1 728 . 1 1 87 87 GLY HA2 H 1 3.60 0.00 . 1 . . . . . . . . 5000 1 729 . 1 1 87 87 GLY HA3 H 1 4.00 0.00 . 1 . . . . . . . . 5000 1 730 . 1 1 87 87 GLY CA C 13 46.48 0.00 . 1 . . . . . . . . 5000 1 731 . 1 1 87 87 GLY N N 15 107.37 0.00 . 1 . . . . . . . . 5000 1 732 . 1 1 88 88 ILE HA H 1 4.49 0.00 . 1 . . . . . . . . 5000 1 733 . 1 1 88 88 ILE HB H 1 1.81 0.00 . 1 . . . . . . . . 5000 1 734 . 1 1 88 88 ILE HG13 H 1 1.38 0.00 . 1 . . . . . . . . 5000 1 735 . 1 1 88 88 ILE HG21 H 1 0.87 0.00 . 1 . . . . . . . . 5000 1 736 . 1 1 88 88 ILE HG22 H 1 0.87 0.00 . 1 . . . . . . . . 5000 1 737 . 1 1 88 88 ILE HG23 H 1 0.87 0.00 . 1 . . . . . . . . 5000 1 738 . 1 1 88 88 ILE HD11 H 1 0.85 0.00 . 1 . . . . . . . . 5000 1 739 . 1 1 88 88 ILE HD12 H 1 0.85 0.00 . 1 . . . . . . . . 5000 1 740 . 1 1 88 88 ILE HD13 H 1 0.85 0.00 . 1 . . . . . . . . 5000 1 741 . 1 1 88 88 ILE CA C 13 61.28 0.00 . 1 . . . . . . . . 5000 1 742 . 1 1 88 88 ILE CB C 13 41.52 0.00 . 1 . . . . . . . . 5000 1 743 . 1 1 88 88 ILE CG2 C 13 17.57 0.00 . 1 . . . . . . . . 5000 1 744 . 1 1 88 88 ILE CD1 C 13 12.34 0.00 . 1 . . . . . . . . 5000 1 745 . 1 1 89 89 SER H H 1 9.96 0.00 . 1 . . . . . . . . 5000 1 746 . 1 1 89 89 SER HA H 1 5.07 0.00 . 1 . . . . . . . . 5000 1 747 . 1 1 89 89 SER HB3 H 1 4.76 0.00 . 1 . . . . . . . . 5000 1 748 . 1 1 89 89 SER CB C 13 63.55 0.00 . 1 . . . . . . . . 5000 1 749 . 1 1 89 89 SER N N 15 117.59 0.00 . 1 . . . . . . . . 5000 1 750 . 1 1 91 91 SER H H 1 7.11 0.00 . 1 . . . . . . . . 5000 1 751 . 1 1 91 91 SER HA H 1 3.68 0.00 . 1 . . . . . . . . 5000 1 752 . 1 1 91 91 SER HB3 H 1 2.33 0.00 . 1 . . . . . . . . 5000 1 753 . 1 1 91 91 SER CA C 13 59.08 0.00 . 1 . . . . . . . . 5000 1 754 . 1 1 91 91 SER N N 15 132.56 0.00 . 1 . . . . . . . . 5000 1 755 . 1 1 92 92 ALA H H 1 5.97 0.00 . 1 . . . . . . . . 5000 1 756 . 1 1 92 92 ALA HA H 1 3.74 0.00 . 1 . . . . . . . . 5000 1 757 . 1 1 92 92 ALA HB1 H 1 1.27 0.00 . 1 . . . . . . . . 5000 1 758 . 1 1 92 92 ALA HB2 H 1 1.27 0.00 . 1 . . . . . . . . 5000 1 759 . 1 1 92 92 ALA HB3 H 1 1.27 0.00 . 1 . . . . . . . . 5000 1 760 . 1 1 92 92 ALA CA C 13 55.57 0.00 . 1 . . . . . . . . 5000 1 761 . 1 1 92 92 ALA CB C 13 18.94 0.00 . 1 . . . . . . . . 5000 1 762 . 1 1 92 92 ALA N N 15 123.63 0.00 . 1 . . . . . . . . 5000 1 763 . 1 1 93 93 THR H H 1 8.21 0.00 . 1 . . . . . . . . 5000 1 764 . 1 1 93 93 THR HA H 1 3.80 0.00 . 1 . . . . . . . . 5000 1 765 . 1 1 93 93 THR HB H 1 4.33 0.00 . 1 . . . . . . . . 5000 1 766 . 1 1 93 93 THR HG21 H 1 1.13 0.00 . 1 . . . . . . . . 5000 1 767 . 1 1 93 93 THR HG22 H 1 1.13 0.00 . 1 . . . . . . . . 5000 1 768 . 1 1 93 93 THR HG23 H 1 1.13 0.00 . 1 . . . . . . . . 5000 1 769 . 1 1 93 93 THR CA C 13 68.23 0.00 . 1 . . . . . . . . 5000 1 770 . 1 1 93 93 THR CB C 13 67.69 0.00 . 1 . . . . . . . . 5000 1 771 . 1 1 93 93 THR CG2 C 13 20.60 0.00 . 1 . . . . . . . . 5000 1 772 . 1 1 93 93 THR N N 15 114.88 0.00 . 1 . . . . . . . . 5000 1 773 . 1 1 94 94 ILE H H 1 7.11 0.00 . 1 . . . . . . . . 5000 1 774 . 1 1 94 94 ILE HA H 1 3.57 0.00 . 1 . . . . . . . . 5000 1 775 . 1 1 94 94 ILE HB H 1 2.18 0.00 . 1 . . . . . . . . 5000 1 776 . 1 1 94 94 ILE HG12 H 1 1.30 0.00 . 1 . . . . . . . . 5000 1 777 . 1 1 94 94 ILE HG13 H 1 1.94 0.00 . 1 . . . . . . . . 5000 1 778 . 1 1 94 94 ILE HG21 H 1 0.82 0.00 . 1 . . . . . . . . 5000 1 779 . 1 1 94 94 ILE HG22 H 1 0.82 0.00 . 1 . . . . . . . . 5000 1 780 . 1 1 94 94 ILE HG23 H 1 0.82 0.00 . 1 . . . . . . . . 5000 1 781 . 1 1 94 94 ILE HD11 H 1 0.72 0.00 . 1 . . . . . . . . 5000 1 782 . 1 1 94 94 ILE HD12 H 1 0.72 0.00 . 1 . . . . . . . . 5000 1 783 . 1 1 94 94 ILE HD13 H 1 0.72 0.00 . 1 . . . . . . . . 5000 1 784 . 1 1 94 94 ILE CA C 13 60.80 0.00 . 1 . . . . . . . . 5000 1 785 . 1 1 94 94 ILE CB C 13 34.64 0.00 . 1 . . . . . . . . 5000 1 786 . 1 1 94 94 ILE CG1 C 13 28.31 0.00 . 1 . . . . . . . . 5000 1 787 . 1 1 94 94 ILE CG2 C 13 18.12 0.00 . 1 . . . . . . . . 5000 1 788 . 1 1 94 94 ILE CD1 C 13 7.65 0.00 . 1 . . . . . . . . 5000 1 789 . 1 1 94 94 ILE N N 15 119.05 0.00 . 1 . . . . . . . . 5000 1 790 . 1 1 95 95 CYS H H 1 7.78 0.00 . 1 . . . . . . . . 5000 1 791 . 1 1 95 95 CYS HA H 1 3.92 0.00 . 1 . . . . . . . . 5000 1 792 . 1 1 95 95 CYS HB2 H 1 3.04 0.00 . 1 . . . . . . . . 5000 1 793 . 1 1 95 95 CYS HB3 H 1 2.56 0.00 . 1 . . . . . . . . 5000 1 794 . 1 1 95 95 CYS CA C 13 64.93 0.00 . 1 . . . . . . . . 5000 1 795 . 1 1 95 95 CYS CB C 13 26.38 0.00 . 1 . . . . . . . . 5000 1 796 . 1 1 95 95 CYS N N 15 116.34 0.00 . 1 . . . . . . . . 5000 1 797 . 1 1 96 96 LEU H H 1 8.45 0.00 . 1 . . . . . . . . 5000 1 798 . 1 1 96 96 LEU HA H 1 3.85 0.00 . 1 . . . . . . . . 5000 1 799 . 1 1 96 96 LEU HB3 H 1 2.12 0.00 . 1 . . . . . . . . 5000 1 800 . 1 1 96 96 LEU HD11 H 1 1.84 0.00 . 1 . . . . . . . . 5000 1 801 . 1 1 96 96 LEU HD12 H 1 1.84 0.00 . 1 . . . . . . . . 5000 1 802 . 1 1 96 96 LEU HD13 H 1 1.84 0.00 . 1 . . . . . . . . 5000 1 803 . 1 1 96 96 LEU HD21 H 1 0.80 0.00 . 1 . . . . . . . . 5000 1 804 . 1 1 96 96 LEU HD22 H 1 0.80 0.00 . 1 . . . . . . . . 5000 1 805 . 1 1 96 96 LEU HD23 H 1 0.80 0.00 . 1 . . . . . . . . 5000 1 806 . 1 1 96 96 LEU CA C 13 58.05 0.00 . 1 . . . . . . . . 5000 1 807 . 1 1 96 96 LEU CB C 13 40.97 0.00 . 1 . . . . . . . . 5000 1 808 . 1 1 96 96 LEU CD2 C 13 23.90 0.00 . 1 . . . . . . . . 5000 1 809 . 1 1 96 96 LEU N N 15 119.46 0.00 . 1 . . . . . . . . 5000 1 810 . 1 1 97 97 ALA H H 1 7.91 0.00 . 1 . . . . . . . . 5000 1 811 . 1 1 97 97 ALA HA H 1 3.93 0.00 . 1 . . . . . . . . 5000 1 812 . 1 1 97 97 ALA HB1 H 1 0.17 0.00 . 1 . . . . . . . . 5000 1 813 . 1 1 97 97 ALA HB2 H 1 0.17 0.00 . 1 . . . . . . . . 5000 1 814 . 1 1 97 97 ALA HB3 H 1 0.17 0.00 . 1 . . . . . . . . 5000 1 815 . 1 1 97 97 ALA CA C 13 54.47 0.00 . 1 . . . . . . . . 5000 1 816 . 1 1 97 97 ALA CB C 13 15.37 0.00 . 1 . . . . . . . . 5000 1 817 . 1 1 97 97 ALA N N 15 121.13 0.00 . 1 . . . . . . . . 5000 1 818 . 1 1 98 98 TYR H H 1 8.14 0.00 . 1 . . . . . . . . 5000 1 819 . 1 1 98 98 TYR HA H 1 3.93 0.00 . 1 . . . . . . . . 5000 1 820 . 1 1 98 98 TYR HB3 H 1 3.09 0.00 . 1 . . . . . . . . 5000 1 821 . 1 1 98 98 TYR HD1 H 1 7.23 0.00 . 3 . . . . . . . . 5000 1 822 . 1 1 98 98 TYR HE1 H 1 7.42 0.00 . 3 . . . . . . . . 5000 1 823 . 1 1 98 98 TYR CA C 13 62.45 0.00 . 1 . . . . . . . . 5000 1 824 . 1 1 98 98 TYR CB C 13 38.23 0.00 . 1 . . . . . . . . 5000 1 825 . 1 1 98 98 TYR N N 15 115.50 0.00 . 1 . . . . . . . . 5000 1 826 . 1 1 99 99 LEU H H 1 8.35 0.00 . 1 . . . . . . . . 5000 1 827 . 1 1 99 99 LEU HA H 1 3.58 0.00 . 1 . . . . . . . . 5000 1 828 . 1 1 99 99 LEU HB2 H 1 1.92 0.00 . 1 . . . . . . . . 5000 1 829 . 1 1 99 99 LEU HB3 H 1 1.96 0.00 . 1 . . . . . . . . 5000 1 830 . 1 1 99 99 LEU HG H 1 1.06 0.00 . 1 . . . . . . . . 5000 1 831 . 1 1 99 99 LEU HD11 H 1 0.79 0.00 . 1 . . . . . . . . 5000 1 832 . 1 1 99 99 LEU HD12 H 1 0.79 0.00 . 1 . . . . . . . . 5000 1 833 . 1 1 99 99 LEU HD13 H 1 0.79 0.00 . 1 . . . . . . . . 5000 1 834 . 1 1 99 99 LEU HD21 H 1 0.63 0.00 . 1 . . . . . . . . 5000 1 835 . 1 1 99 99 LEU HD22 H 1 0.63 0.00 . 1 . . . . . . . . 5000 1 836 . 1 1 99 99 LEU HD23 H 1 0.63 0.00 . 1 . . . . . . . . 5000 1 837 . 1 1 99 99 LEU CA C 13 58.05 0.00 . 1 . . . . . . . . 5000 1 838 . 1 1 99 99 LEU CB C 13 42.62 0.00 . 1 . . . . . . . . 5000 1 839 . 1 1 99 99 LEU CG C 13 24.73 0.00 . 1 . . . . . . . . 5000 1 840 . 1 1 99 99 LEU CD1 C 13 27.20 0.00 . 1 . . . . . . . . 5000 1 841 . 1 1 99 99 LEU CD2 C 13 23.07 0.00 . 1 . . . . . . . . 5000 1 842 . 1 1 99 99 LEU N N 15 121.59 0.00 . 1 . . . . . . . . 5000 1 843 . 1 1 100 100 MET H H 1 8.33 0.00 . 1 . . . . . . . . 5000 1 844 . 1 1 100 100 MET HA H 1 3.95 0.00 . 1 . . . . . . . . 5000 1 845 . 1 1 100 100 MET HB2 H 1 2.32 0.00 . 1 . . . . . . . . 5000 1 846 . 1 1 100 100 MET HB3 H 1 2.33 0.00 . 1 . . . . . . . . 5000 1 847 . 1 1 100 100 MET HG3 H 1 2.54 0.00 . 1 . . . . . . . . 5000 1 848 . 1 1 100 100 MET HE1 H 1 2.32 0.00 . 1 . . . . . . . . 5000 1 849 . 1 1 100 100 MET HE2 H 1 2.32 0.00 . 1 . . . . . . . . 5000 1 850 . 1 1 100 100 MET HE3 H 1 2.32 0.00 . 1 . . . . . . . . 5000 1 851 . 1 1 100 100 MET CA C 13 59.15 0.00 . 1 . . . . . . . . 5000 1 852 . 1 1 100 100 MET CB C 13 34.92 0.00 . 1 . . . . . . . . 5000 1 853 . 1 1 100 100 MET CG C 13 31.06 0.00 . 1 . . . . . . . . 5000 1 854 . 1 1 100 100 MET CE C 13 16.46 0.00 . 1 . . . . . . . . 5000 1 855 . 1 1 100 100 MET N N 15 116.96 0.00 . 1 . . . . . . . . 5000 1 856 . 1 1 101 101 GLN H H 1 8.02 0.00 . 1 . . . . . . . . 5000 1 857 . 1 1 101 101 GLN HA H 1 3.98 0.00 . 1 . . . . . . . . 5000 1 858 . 1 1 101 101 GLN CA C 13 58.60 0.00 . 1 . . . . . . . . 5000 1 859 . 1 1 101 101 GLN N N 15 115.08 0.00 . 1 . . . . . . . . 5000 1 860 . 1 1 102 102 SER H H 1 8.34 0.00 . 1 . . . . . . . . 5000 1 861 . 1 1 102 102 SER HA H 1 3.98 0.00 . 1 . . . . . . . . 5000 1 862 . 1 1 102 102 SER HB2 H 1 3.37 0.00 . 1 . . . . . . . . 5000 1 863 . 1 1 102 102 SER HB3 H 1 3.47 0.00 . 1 . . . . . . . . 5000 1 864 . 1 1 102 102 SER CA C 13 60.40 0.00 . 1 . . . . . . . . 5000 1 865 . 1 1 102 102 SER CB C 13 62.60 0.00 . 1 . . . . . . . . 5000 1 866 . 1 1 102 102 SER N N 15 112.79 0.00 . 1 . . . . . . . . 5000 1 867 . 1 1 103 103 ARG H H 1 7.89 0.00 . 1 . . . . . . . . 5000 1 868 . 1 1 103 103 ARG HA H 1 4.35 0.00 . 1 . . . . . . . . 5000 1 869 . 1 1 103 103 ARG HB2 H 1 1.72 0.00 . 1 . . . . . . . . 5000 1 870 . 1 1 103 103 ARG HB3 H 1 1.93 0.00 . 1 . . . . . . . . 5000 1 871 . 1 1 103 103 ARG HG2 H 1 1.53 0.00 . 1 . . . . . . . . 5000 1 872 . 1 1 103 103 ARG HG3 H 1 1.49 0.00 . 1 . . . . . . . . 5000 1 873 . 1 1 103 103 ARG HD2 H 1 2.93 0.00 . 1 . . . . . . . . 5000 1 874 . 1 1 103 103 ARG HD3 H 1 2.83 0.00 . 1 . . . . . . . . 5000 1 875 . 1 1 103 103 ARG CA C 13 54.74 0.00 . 1 . . . . . . . . 5000 1 876 . 1 1 103 103 ARG CB C 13 30.51 0.00 . 1 . . . . . . . . 5000 1 877 . 1 1 103 103 ARG CG C 13 27.48 0.00 . 1 . . . . . . . . 5000 1 878 . 1 1 103 103 ARG CD C 13 43.18 0.00 . 1 . . . . . . . . 5000 1 879 . 1 1 103 103 ARG N N 15 117.59 0.00 . 1 . . . . . . . . 5000 1 880 . 1 1 104 104 ARG H H 1 7.46 0.00 . 1 . . . . . . . . 5000 1 881 . 1 1 104 104 ARG HA H 1 3.91 0.00 . 1 . . . . . . . . 5000 1 882 . 1 1 104 104 ARG HB2 H 1 1.77 0.00 . 1 . . . . . . . . 5000 1 883 . 1 1 104 104 ARG HB3 H 1 2.01 0.00 . 1 . . . . . . . . 5000 1 884 . 1 1 104 104 ARG HG2 H 1 1.50 0.00 . 1 . . . . . . . . 5000 1 885 . 1 1 104 104 ARG HG3 H 1 1.49 0.00 . 1 . . . . . . . . 5000 1 886 . 1 1 104 104 ARG HD2 H 1 3.13 0.00 . 1 . . . . . . . . 5000 1 887 . 1 1 104 104 ARG HD3 H 1 3.19 0.00 . 1 . . . . . . . . 5000 1 888 . 1 1 104 104 ARG CA C 13 57.22 0.00 . 1 . . . . . . . . 5000 1 889 . 1 1 104 104 ARG CB C 13 26.10 0.00 . 1 . . . . . . . . 5000 1 890 . 1 1 104 104 ARG CG C 13 27.76 0.00 . 1 . . . . . . . . 5000 1 891 . 1 1 104 104 ARG CD C 13 42.90 0.00 . 1 . . . . . . . . 5000 1 892 . 1 1 104 104 ARG N N 15 118.84 0.00 . 1 . . . . . . . . 5000 1 893 . 1 1 105 105 VAL H H 1 7.16 0.00 . 1 . . . . . . . . 5000 1 894 . 1 1 105 105 VAL HA H 1 4.64 0.00 . 1 . . . . . . . . 5000 1 895 . 1 1 105 105 VAL HB H 1 2.20 0.00 . 1 . . . . . . . . 5000 1 896 . 1 1 105 105 VAL HG11 H 1 0.73 0.00 . 1 . . . . . . . . 5000 1 897 . 1 1 105 105 VAL HG12 H 1 0.73 0.00 . 1 . . . . . . . . 5000 1 898 . 1 1 105 105 VAL HG13 H 1 0.73 0.00 . 1 . . . . . . . . 5000 1 899 . 1 1 105 105 VAL HG21 H 1 0.60 0.00 . 1 . . . . . . . . 5000 1 900 . 1 1 105 105 VAL HG22 H 1 0.60 0.00 . 1 . . . . . . . . 5000 1 901 . 1 1 105 105 VAL HG23 H 1 0.60 0.00 . 1 . . . . . . . . 5000 1 902 . 1 1 105 105 VAL CA C 13 57.50 0.00 . 1 . . . . . . . . 5000 1 903 . 1 1 105 105 VAL CB C 13 34.92 0.00 . 1 . . . . . . . . 5000 1 904 . 1 1 105 105 VAL CG1 C 13 21.15 0.00 . 1 . . . . . . . . 5000 1 905 . 1 1 105 105 VAL CG2 C 13 17.57 0.00 . 1 . . . . . . . . 5000 1 906 . 1 1 105 105 VAL N N 15 110.08 0.00 . 1 . . . . . . . . 5000 1 907 . 1 1 106 106 ARG H H 1 8.31 0.00 . 1 . . . . . . . . 5000 1 908 . 1 1 106 106 ARG HA H 1 4.08 0.00 . 1 . . . . . . . . 5000 1 909 . 1 1 106 106 ARG HB2 H 1 1.86 0.00 . 1 . . . . . . . . 5000 1 910 . 1 1 106 106 ARG HB3 H 1 2.19 0.00 . 1 . . . . . . . . 5000 1 911 . 1 1 106 106 ARG HG2 H 1 1.49 0.00 . 1 . . . . . . . . 5000 1 912 . 1 1 106 106 ARG HG3 H 1 1.48 0.00 . 1 . . . . . . . . 5000 1 913 . 1 1 106 106 ARG HD3 H 1 3.24 0.00 . 1 . . . . . . . . 5000 1 914 . 1 1 106 106 ARG CA C 13 55.57 0.00 . 1 . . . . . . . . 5000 1 915 . 1 1 106 106 ARG CB C 13 31.61 0.00 . 1 . . . . . . . . 5000 1 916 . 1 1 106 106 ARG CG C 13 28.31 0.00 . 1 . . . . . . . . 5000 1 917 . 1 1 106 106 ARG CD C 13 43.22 0.00 . 1 . . . . . . . . 5000 1 918 . 1 1 106 106 ARG N N 15 116.33 0.00 . 1 . . . . . . . . 5000 1 919 . 1 1 107 107 LEU H H 1 9.98 0.00 . 1 . . . . . . . . 5000 1 920 . 1 1 107 107 LEU HA H 1 4.33 0.00 . 1 . . . . . . . . 5000 1 921 . 1 1 107 107 LEU HB2 H 1 1.59 0.00 . 1 . . . . . . . . 5000 1 922 . 1 1 107 107 LEU HB3 H 1 2.07 0.00 . 1 . . . . . . . . 5000 1 923 . 1 1 107 107 LEU CA C 13 58.32 0.00 . 1 . . . . . . . . 5000 1 924 . 1 1 107 107 LEU CB C 13 40.42 0.00 . 1 . . . . . . . . 5000 1 925 . 1 1 107 107 LEU N N 15 124.01 0.00 . 1 . . . . . . . . 5000 1 926 . 1 1 108 108 ASP H H 1 8.97 0.00 . 1 . . . . . . . . 5000 1 927 . 1 1 108 108 ASP HA H 1 4.32 0.00 . 1 . . . . . . . . 5000 1 928 . 1 1 108 108 ASP HB2 H 1 2.67 0.00 . 1 . . . . . . . . 5000 1 929 . 1 1 108 108 ASP HB3 H 1 2.71 0.00 . 1 . . . . . . . . 5000 1 930 . 1 1 108 108 ASP CA C 13 57.77 0.00 . 1 . . . . . . . . 5000 1 931 . 1 1 108 108 ASP CB C 13 39.60 0.00 . 1 . . . . . . . . 5000 1 932 . 1 1 108 108 ASP N N 15 116.70 0.00 . 1 . . . . . . . . 5000 1 933 . 1 1 109 109 GLU H H 1 7.16 0.00 . 1 . . . . . . . . 5000 1 934 . 1 1 109 109 GLU HA H 1 4.25 0.00 . 1 . . . . . . . . 5000 1 935 . 1 1 109 109 GLU HB2 H 1 1.48 0.00 . 1 . . . . . . . . 5000 1 936 . 1 1 109 109 GLU HB3 H 1 2.02 0.00 . 1 . . . . . . . . 5000 1 937 . 1 1 109 109 GLU HG2 H 1 2.40 0.00 . 1 . . . . . . . . 5000 1 938 . 1 1 109 109 GLU HG3 H 1 2.23 0.00 . 1 . . . . . . . . 5000 1 939 . 1 1 109 109 GLU CA C 13 58.32 0.00 . 1 . . . . . . . . 5000 1 940 . 1 1 109 109 GLU CB C 13 29.41 0.00 . 1 . . . . . . . . 5000 1 941 . 1 1 109 109 GLU CG C 13 36.29 0.00 . 1 . . . . . . . . 5000 1 942 . 1 1 109 109 GLU N N 15 121.06 0.00 . 1 . . . . . . . . 5000 1 943 . 1 1 110 110 ALA H H 1 8.49 0.00 . 1 . . . . . . . . 5000 1 944 . 1 1 110 110 ALA HA H 1 3.99 0.00 . 1 . . . . . . . . 5000 1 945 . 1 1 110 110 ALA HB1 H 1 1.46 0.00 . 1 . . . . . . . . 5000 1 946 . 1 1 110 110 ALA HB2 H 1 1.46 0.00 . 1 . . . . . . . . 5000 1 947 . 1 1 110 110 ALA HB3 H 1 1.46 0.00 . 1 . . . . . . . . 5000 1 948 . 1 1 110 110 ALA CA C 13 54.74 0.00 . 1 . . . . . . . . 5000 1 949 . 1 1 110 110 ALA CB C 13 18.12 0.00 . 1 . . . . . . . . 5000 1 950 . 1 1 110 110 ALA N N 15 124.49 0.00 . 1 . . . . . . . . 5000 1 951 . 1 1 111 111 PHE H H 1 9.59 0.00 . 1 . . . . . . . . 5000 1 952 . 1 1 111 111 PHE HA H 1 3.93 0.00 . 1 . . . . . . . . 5000 1 953 . 1 1 111 111 PHE HB2 H 1 3.12 0.00 . 1 . . . . . . . . 5000 1 954 . 1 1 111 111 PHE HB3 H 1 3.36 0.00 . 1 . . . . . . . . 5000 1 955 . 1 1 111 111 PHE HD1 H 1 7.22 0.00 . 3 . . . . . . . . 5000 1 956 . 1 1 111 111 PHE CA C 13 61.35 0.00 . 1 . . . . . . . . 5000 1 957 . 1 1 111 111 PHE CB C 13 39.32 0.00 . 1 . . . . . . . . 5000 1 958 . 1 1 111 111 PHE N N 15 119.41 0.00 . 1 . . . . . . . . 5000 1 959 . 1 1 112 112 ASP H H 1 8.00 0.00 . 1 . . . . . . . . 5000 1 960 . 1 1 112 112 ASP HA H 1 4.45 0.00 . 1 . . . . . . . . 5000 1 961 . 1 1 112 112 ASP HB2 H 1 2.75 0.00 . 1 . . . . . . . . 5000 1 962 . 1 1 112 112 ASP HB3 H 1 2.90 0.00 . 1 . . . . . . . . 5000 1 963 . 1 1 112 112 ASP CA C 13 57.77 0.00 . 1 . . . . . . . . 5000 1 964 . 1 1 112 112 ASP CB C 13 41.25 0.00 . 1 . . . . . . . . 5000 1 965 . 1 1 112 112 ASP N N 15 118.84 0.00 . 1 . . . . . . . . 5000 1 966 . 1 1 113 113 PHE H H 1 7.99 0.00 . 1 . . . . . . . . 5000 1 967 . 1 1 113 113 PHE HA H 1 4.03 0.00 . 1 . . . . . . . . 5000 1 968 . 1 1 113 113 PHE HB3 H 1 3.28 0.00 . 1 . . . . . . . . 5000 1 969 . 1 1 113 113 PHE HD1 H 1 7.09 0.00 . 3 . . . . . . . . 5000 1 970 . 1 1 113 113 PHE HE1 H 1 7.38 0.00 . 3 . . . . . . . . 5000 1 971 . 1 1 113 113 PHE CA C 13 61.63 0.00 . 1 . . . . . . . . 5000 1 972 . 1 1 113 113 PHE CB C 13 38.77 0.00 . 1 . . . . . . . . 5000 1 973 . 1 1 113 113 PHE N N 15 119.88 0.00 . 1 . . . . . . . . 5000 1 974 . 1 1 114 114 VAL H H 1 8.11 0.00 . 1 . . . . . . . . 5000 1 975 . 1 1 114 114 VAL HA H 1 3.39 0.00 . 1 . . . . . . . . 5000 1 976 . 1 1 114 114 VAL HB H 1 1.96 0.00 . 1 . . . . . . . . 5000 1 977 . 1 1 114 114 VAL HG11 H 1 1.00 0.00 . 1 . . . . . . . . 5000 1 978 . 1 1 114 114 VAL HG12 H 1 1.00 0.00 . 1 . . . . . . . . 5000 1 979 . 1 1 114 114 VAL HG13 H 1 1.00 0.00 . 1 . . . . . . . . 5000 1 980 . 1 1 114 114 VAL HG21 H 1 0.79 0.00 . 1 . . . . . . . . 5000 1 981 . 1 1 114 114 VAL HG22 H 1 0.79 0.00 . 1 . . . . . . . . 5000 1 982 . 1 1 114 114 VAL HG23 H 1 0.79 0.00 . 1 . . . . . . . . 5000 1 983 . 1 1 114 114 VAL CA C 13 66.86 0.00 . 1 . . . . . . . . 5000 1 984 . 1 1 114 114 VAL CB C 13 31.06 0.00 . 1 . . . . . . . . 5000 1 985 . 1 1 114 114 VAL CG1 C 13 19.22 0.00 . 1 . . . . . . . . 5000 1 986 . 1 1 114 114 VAL CG2 C 13 23.63 0.00 . 1 . . . . . . . . 5000 1 987 . 1 1 114 114 VAL N N 15 117.58 0.00 . 1 . . . . . . . . 5000 1 988 . 1 1 120 120 VAL H H 1 7.94 0.00 . 1 . . . . . . . . 5000 1 989 . 1 1 120 120 VAL HA H 1 3.70 0.00 . 1 . . . . . . . . 5000 1 990 . 1 1 120 120 VAL CA C 13 57.77 0.00 . 1 . . . . . . . . 5000 1 991 . 1 1 120 120 VAL N N 15 121.60 0.00 . 1 . . . . . . . . 5000 1 992 . 1 1 121 121 ILE H H 1 8.07 0.00 . 1 . . . . . . . . 5000 1 993 . 1 1 121 121 ILE HA H 1 4.36 0.00 . 1 . . . . . . . . 5000 1 994 . 1 1 121 121 ILE HB H 1 2.05 0.00 . 1 . . . . . . . . 5000 1 995 . 1 1 121 121 ILE HD11 H 1 0.91 0.00 . 1 . . . . . . . . 5000 1 996 . 1 1 121 121 ILE HD12 H 1 0.91 0.00 . 1 . . . . . . . . 5000 1 997 . 1 1 121 121 ILE HD13 H 1 0.91 0.00 . 1 . . . . . . . . 5000 1 998 . 1 1 121 121 ILE CA C 13 58.87 0.00 . 1 . . . . . . . . 5000 1 999 . 1 1 121 121 ILE N N 15 123.01 0.00 . 1 . . . . . . . . 5000 1 1000 . 1 1 131 131 LEU H H 1 8.71 0.00 . 1 . . . . . . . . 5000 1 1001 . 1 1 131 131 LEU HA H 1 4.70 0.00 . 1 . . . . . . . . 5000 1 1002 . 1 1 131 131 LEU N N 15 122.95 0.00 . 1 . . . . . . . . 5000 1 1003 . 1 1 132 132 LEU H H 1 8.32 0.00 . 1 . . . . . . . . 5000 1 1004 . 1 1 132 132 LEU HA H 1 4.25 0.00 . 1 . . . . . . . . 5000 1 1005 . 1 1 132 132 LEU HB3 H 1 1.86 0.00 . 1 . . . . . . . . 5000 1 1006 . 1 1 132 132 LEU HG H 1 1.75 0.00 . 1 . . . . . . . . 5000 1 1007 . 1 1 132 132 LEU HD11 H 1 0.98 0.00 . 1 . . . . . . . . 5000 1 1008 . 1 1 132 132 LEU HD12 H 1 0.98 0.00 . 1 . . . . . . . . 5000 1 1009 . 1 1 132 132 LEU HD13 H 1 0.98 0.00 . 1 . . . . . . . . 5000 1 1010 . 1 1 132 132 LEU CA C 13 58.05 0.00 . 1 . . . . . . . . 5000 1 1011 . 1 1 132 132 LEU CB C 13 40.97 0.00 . 1 . . . . . . . . 5000 1 1012 . 1 1 132 132 LEU CG C 13 26.38 0.00 . 1 . . . . . . . . 5000 1 1013 . 1 1 132 132 LEU CD1 C 13 24.17 0.00 . 1 . . . . . . . . 5000 1 1014 . 1 1 132 132 LEU N N 15 122.17 0.00 . 1 . . . . . . . . 5000 1 1015 . 1 1 133 133 GLN H H 1 7.89 0.00 . 1 . . . . . . . . 5000 1 1016 . 1 1 133 133 GLN HA H 1 4.28 0.00 . 1 . . . . . . . . 5000 1 1017 . 1 1 133 133 GLN HB3 H 1 1.84 0.00 . 1 . . . . . . . . 5000 1 1018 . 1 1 133 133 GLN HG2 H 1 2.36 0.00 . 1 . . . . . . . . 5000 1 1019 . 1 1 133 133 GLN HG3 H 1 2.59 0.00 . 1 . . . . . . . . 5000 1 1020 . 1 1 133 133 GLN CA C 13 58.60 0.00 . 1 . . . . . . . . 5000 1 1021 . 1 1 133 133 GLN CG C 13 33.81 0.00 . 1 . . . . . . . . 5000 1 1022 . 1 1 133 133 GLN N N 15 119.46 0.00 . 1 . . . . . . . . 5000 1 1023 . 1 1 134 134 PHE H H 1 8.34 0.00 . 1 . . . . . . . . 5000 1 1024 . 1 1 134 134 PHE HA H 1 4.68 0.00 . 1 . . . . . . . . 5000 1 1025 . 1 1 134 134 PHE HB3 H 1 3.62 0.00 . 1 . . . . . . . . 5000 1 1026 . 1 1 134 134 PHE HD1 H 1 7.42 0.00 . 3 . . . . . . . . 5000 1 1027 . 1 1 134 134 PHE HE1 H 1 7.53 0.00 . 3 . . . . . . . . 5000 1 1028 . 1 1 134 134 PHE CA C 13 59.97 0.00 . 1 . . . . . . . . 5000 1 1029 . 1 1 134 134 PHE CB C 13 40.15 0.00 . 1 . . . . . . . . 5000 1 1030 . 1 1 134 134 PHE N N 15 123.01 0.00 . 1 . . . . . . . . 5000 1 1031 . 1 1 135 135 GLU H H 1 8.45 0.00 . 1 . . . . . . . . 5000 1 1032 . 1 1 135 135 GLU HA H 1 3.66 0.00 . 1 . . . . . . . . 5000 1 1033 . 1 1 135 135 GLU HG3 H 1 2.54 0.00 . 1 . . . . . . . . 5000 1 1034 . 1 1 135 135 GLU CA C 13 59.97 0.00 . 1 . . . . . . . . 5000 1 1035 . 1 1 135 135 GLU N N 15 120.30 0.00 . 1 . . . . . . . . 5000 1 1036 . 1 1 136 136 THR H H 1 7.43 0.00 . 1 . . . . . . . . 5000 1 1037 . 1 1 136 136 THR HA H 1 4.06 0.00 . 1 . . . . . . . . 5000 1 1038 . 1 1 136 136 THR HB H 1 4.34 0.00 . 1 . . . . . . . . 5000 1 1039 . 1 1 136 136 THR HG21 H 1 1.37 0.00 . 1 . . . . . . . . 5000 1 1040 . 1 1 136 136 THR HG22 H 1 1.37 0.00 . 1 . . . . . . . . 5000 1 1041 . 1 1 136 136 THR HG23 H 1 1.37 0.00 . 1 . . . . . . . . 5000 1 1042 . 1 1 136 136 THR CA C 13 64.66 0.00 . 1 . . . . . . . . 5000 1 1043 . 1 1 136 136 THR CB C 13 68.51 0.00 . 1 . . . . . . . . 5000 1 1044 . 1 1 136 136 THR CG2 C 13 21.15 0.00 . 1 . . . . . . . . 5000 1 1045 . 1 1 136 136 THR N N 15 110.50 0.00 . 1 . . . . . . . . 5000 1 1046 . 1 1 137 137 GLN H H 1 7.53 0.00 . 1 . . . . . . . . 5000 1 1047 . 1 1 137 137 GLN HA H 1 4.14 0.00 . 1 . . . . . . . . 5000 1 1048 . 1 1 137 137 GLN HB3 H 1 2.26 0.00 . 1 . . . . . . . . 5000 1 1049 . 1 1 137 137 GLN HG3 H 1 2.51 0.00 . 1 . . . . . . . . 5000 1 1050 . 1 1 137 137 GLN CA C 13 57.50 0.00 . 1 . . . . . . . . 5000 1 1051 . 1 1 137 137 GLN CB C 13 28.86 0.00 . 1 . . . . . . . . 5000 1 1052 . 1 1 137 137 GLN N N 15 120.01 0.00 . 1 . . . . . . . . 5000 1 1053 . 1 1 138 138 VAL H H 1 7.87 0.00 . 1 . . . . . . . . 5000 1 1054 . 1 1 138 138 VAL HA H 1 3.80 0.00 . 1 . . . . . . . . 5000 1 1055 . 1 1 138 138 VAL HB H 1 1.88 0.00 . 1 . . . . . . . . 5000 1 1056 . 1 1 138 138 VAL HG11 H 1 0.53 0.00 . 1 . . . . . . . . 5000 1 1057 . 1 1 138 138 VAL HG12 H 1 0.53 0.00 . 1 . . . . . . . . 5000 1 1058 . 1 1 138 138 VAL HG13 H 1 0.53 0.00 . 1 . . . . . . . . 5000 1 1059 . 1 1 138 138 VAL HG21 H 1 0.38 0.00 . 1 . . . . . . . . 5000 1 1060 . 1 1 138 138 VAL HG22 H 1 0.38 0.00 . 1 . . . . . . . . 5000 1 1061 . 1 1 138 138 VAL HG23 H 1 0.38 0.00 . 1 . . . . . . . . 5000 1 1062 . 1 1 138 138 VAL CA C 13 63.83 0.00 . 1 . . . . . . . . 5000 1 1063 . 1 1 138 138 VAL CB C 13 32.17 0.00 . 1 . . . . . . . . 5000 1 1064 . 1 1 138 138 VAL CG1 C 13 21.19 0.00 . 1 . . . . . . . . 5000 1 1065 . 1 1 138 138 VAL CG2 C 13 19.86 0.00 . 1 . . . . . . . . 5000 1 1066 . 1 1 138 138 VAL N N 15 116.54 0.00 . 1 . . . . . . . . 5000 1 1067 . 1 1 139 139 LEU H H 1 7.77 0.00 . 1 . . . . . . . . 5000 1 1068 . 1 1 139 139 LEU HA H 1 4.30 0.00 . 1 . . . . . . . . 5000 1 1069 . 1 1 139 139 LEU HB2 H 1 1.46 0.00 . 1 . . . . . . . . 5000 1 1070 . 1 1 139 139 LEU HB3 H 1 1.74 0.00 . 1 . . . . . . . . 5000 1 1071 . 1 1 139 139 LEU HG H 1 1.07 0.00 . 1 . . . . . . . . 5000 1 1072 . 1 1 139 139 LEU HD11 H 1 0.77 0.00 . 1 . . . . . . . . 5000 1 1073 . 1 1 139 139 LEU HD12 H 1 0.77 0.00 . 1 . . . . . . . . 5000 1 1074 . 1 1 139 139 LEU HD13 H 1 0.77 0.00 . 1 . . . . . . . . 5000 1 1075 . 1 1 139 139 LEU HD21 H 1 0.60 0.00 . 1 . . . . . . . . 5000 1 1076 . 1 1 139 139 LEU HD22 H 1 0.60 0.00 . 1 . . . . . . . . 5000 1 1077 . 1 1 139 139 LEU HD23 H 1 0.60 0.00 . 1 . . . . . . . . 5000 1 1078 . 1 1 139 139 LEU CA C 13 54.74 0.00 . 1 . . . . . . . . 5000 1 1079 . 1 1 139 139 LEU CB C 13 40.97 0.00 . 1 . . . . . . . . 5000 1 1080 . 1 1 139 139 LEU CG C 13 21.97 0.00 . 1 . . . . . . . . 5000 1 1081 . 1 1 139 139 LEU CD1 C 13 25.28 0.00 . 1 . . . . . . . . 5000 1 1082 . 1 1 139 139 LEU CD2 C 13 21.63 0.00 . 1 . . . . . . . . 5000 1 1083 . 1 1 139 139 LEU N N 15 117.80 0.00 . 1 . . . . . . . . 5000 1 1084 . 1 1 140 140 CYS H H 1 7.64 0.00 . 1 . . . . . . . . 5000 1 1085 . 1 1 140 140 CYS HA H 1 4.45 0.00 . 1 . . . . . . . . 5000 1 1086 . 1 1 140 140 CYS HB3 H 1 2.96 0.00 . 1 . . . . . . . . 5000 1 1087 . 1 1 140 140 CYS CA C 13 58.87 0.00 . 1 . . . . . . . . 5000 1 1088 . 1 1 140 140 CYS CB C 13 27.48 0.00 . 1 . . . . . . . . 5000 1 1089 . 1 1 140 140 CYS N N 15 117.31 0.00 . 1 . . . . . . . . 5000 1 1090 . 1 1 141 141 HIS H H 1 7.79 0.00 . 1 . . . . . . . . 5000 1 1091 . 1 1 141 141 HIS HA H 1 4.48 0.00 . 1 . . . . . . . . 5000 1 1092 . 1 1 141 141 HIS HB2 H 1 3.04 0.00 . 1 . . . . . . . . 5000 1 1093 . 1 1 141 141 HIS HB3 H 1 3.25 0.00 . 1 . . . . . . . . 5000 1 1094 . 1 1 141 141 HIS HD2 H 1 7.14 0.00 . 1 . . . . . . . . 5000 1 1095 . 1 1 141 141 HIS CA C 13 56.95 0.00 . 1 . . . . . . . . 5000 1 1096 . 1 1 141 141 HIS CB C 13 30.51 0.00 . 1 . . . . . . . . 5000 1 1097 . 1 1 141 141 HIS N N 15 125.72 0.00 . 1 . . . . . . . . 5000 1 stop_ save_