data_17200 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 17200 _Entry.Title ; NMR structure of UHRF1 Tandem Tudor Domains in a complex with Histone H3 peptide ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2010-09-21 _Entry.Accession_date 2010-09-21 _Entry.Last_release_date . _Entry.Original_release_date . _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version 3.0.9.13 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype SOLUTION _Entry.Details . _Entry.BMRB_internal_directory_name . loop_ _Entry_author.Ordinal _Entry_author.Given_name _Entry_author.Family_name _Entry_author.First_initial _Entry_author.Middle_initials _Entry_author.Family_title _Entry_author.Entry_ID 1 Nataliya Nady . . . 17200 2 Alexander Lemak . . . 17200 3 Christopher Fares . . . 17200 4 Aleksandras Gutmanas . . . 17200 5 George Avvakumov . . . 17200 6 Sheng Xue . . . 17200 7 Cheryl Arrowsmith . . . 17200 stop_ loop_ _SG_project.SG_project_ID _SG_project.Project_name _SG_project.Full_name_of_center _SG_project.Initial_of_center _SG_project.Entry_ID 1 'not applicable' 'Structural Genomics Consortium' . 17200 stop_ loop_ _Struct_keywords.Keywords _Struct_keywords.Text _Struct_keywords.Entry_ID heterochromatin . 17200 'transcriptional repression' . 17200 'tudor domain' . 17200 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 17200 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 644 17200 '15N chemical shifts' 160 17200 '1H chemical shifts' 1122 17200 stop_ loop_ _Release.Release_number _Release.Format_type _Release.Format_version _Release.Date _Release.Submission_date _Release.Type _Release.Author _Release.Detail _Release.Entry_ID 2 . . 2012-03-13 2010-09-21 update BMRB 'update entry citation' 17200 1 . . 2011-05-02 2010-09-21 original author 'original release' 17200 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 2L3R 'BMRB Entry Tracking System' 17200 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 17200 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 21489993 _Citation.Full_citation . _Citation.Title 'Recognition of multivalent histone states associated with heterochromatin by UHRF1 protein.' _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'J. Biol. Chem.' _Citation.Journal_name_full 'The Journal of biological chemistry' _Citation.Journal_volume 286 _Citation.Journal_issue 27 _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 24300 _Citation.Page_last 24311 _Citation.Year 2011 _Citation.Details . loop_ _Citation_author.Ordinal _Citation_author.Given_name _Citation_author.Family_name _Citation_author.First_initial _Citation_author.Middle_initials _Citation_author.Family_title _Citation_author.Entry_ID _Citation_author.Citation_ID 1 Nataliya Nady . . . 17200 1 2 Alexander Lemak . . . 17200 1 3 John Walker . R. . 17200 1 4 George Avvakumov . V. . 17200 1 5 Michael Kareta . S. . 17200 1 6 Mayada Achour . . . 17200 1 7 Sheng Xue . . . 17200 1 8 Shili Duan . . . 17200 1 9 Abdellah Allali-Hassani . . . 17200 1 10 Xiaobing Zuo . . . 17200 1 11 Yun-Xing Wang . . . 17200 1 12 Christian Bronner . . . 17200 1 13 Frederic Chedin . . . 17200 1 14 Cheryl Arrowsmith . H. . 17200 1 15 Sirano Dhe-Paganon . . . 17200 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 17200 _Assembly.ID 1 _Assembly.Name 'UHRF1 Tandem Tudor Domains/Histone H3 complex' _Assembly.BMRB_code . _Assembly.Number_of_components 2 _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds . _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state . _Assembly.Molecular_mass . _Assembly.Enzyme_commission_number . _Assembly.Details . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Entity_assembly.ID _Entity_assembly.Entity_assembly_name _Entity_assembly.Entity_ID _Entity_assembly.Entity_label _Entity_assembly.Asym_ID _Entity_assembly.PDB_chain_ID _Entity_assembly.Experimental_data_reported _Entity_assembly.Physical_state _Entity_assembly.Conformational_isomer _Entity_assembly.Chemical_exchange_state _Entity_assembly.Magnetic_equivalence_group_code _Entity_assembly.Role _Entity_assembly.Details _Entity_assembly.Entry_ID _Entity_assembly.Assembly_ID 1 'UHRF1 Tandem Tudor Domains' 1 $entity_1 A . yes native no no . . . 17200 1 2 'Histone H3' 2 $entity_2 B . yes native no no . . . 17200 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity_1 _Entity.Sf_category entity _Entity.Sf_framecode entity_1 _Entity.Entry_ID 17200 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name 'UHRF1 Tandem Tudor Domains' _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID A _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; GGMWDETELGLYKVNEYVDA RDTNMGAWFEAQVVRVTRKA PSRDEPCSSTSRPALEEDVI YHVKYDDYPENGVVQMNSRD VRARARTIIKWQDLEVGQVV MLNYNPDNPKERGFWYDAEI SRKRETRTARELYANVVLGD DSLNDCRIIFVDEVFKIERP GE ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states no _Entity.Ambiguous_chem_comp_sites no _Entity.Nstd_monomer no _Entity.Nstd_chirality no _Entity.Nstd_linkage no _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 162 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'all free' _Entity.Src_method man _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 18824.107 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date 2015-11-25 loop_ _Entity_db_link.Ordinal _Entity_db_link.Author_supplied _Entity_db_link.Database_code _Entity_db_link.Accession_code _Entity_db_link.Entry_mol_code _Entity_db_link.Entry_mol_name _Entity_db_link.Entry_experimental_method _Entity_db_link.Entry_structure_resolution _Entity_db_link.Entry_relation_type _Entity_db_link.Entry_details _Entity_db_link.Chimera_segment_ID _Entity_db_link.Seq_query_to_submitted_percent _Entity_db_link.Seq_subject_length _Entity_db_link.Seq_identity _Entity_db_link.Seq_positive _Entity_db_link.Seq_homology_expectation_val _Entity_db_link.Seq_align_begin _Entity_db_link.Seq_align_end _Entity_db_link.Seq_difference_details _Entity_db_link.Seq_alignment_details _Entity_db_link.Entry_ID _Entity_db_link.Entity_ID 1 no PDB 2L3R . 'Nmr Structure Of Uhrf1 Tandem Tudor Domains In A Complex With Histone H3 Peptide' . . . . . 100.00 162 100.00 100.00 3.61e-114 . . . . 17200 1 2 no PDB 3DB3 . 'Crystal Structure Of The Tandem Tudor Domains Of The E3 Ubiquitin- Protein Ligase Uhrf1 In Complex With Trimethylated Histone H' . . . . . 99.38 161 97.52 97.52 3.75e-109 . . . . 17200 1 3 no PDB 3DB4 . 'Crystal Structure Of The Tandem Tudor Domains Of The E3 Ubiquitin- Protein Ligase Uhrf1' . . . . . 99.38 161 97.52 97.52 3.75e-109 . . . . 17200 1 4 no PDB 4GY5 . 'Crystal Structure Of The Tandem Tudor Domain And Plant Homeodomain Of Uhrf1 With Histone H3k9me3' . . . . . 93.83 241 100.00 100.00 3.17e-104 . . . . 17200 1 5 no PDB 4QQD . 'Crystal Structure Of Tandem Tudor Domains Of Uhrf1 In Complex With A Small Organic Molecule' . . . . . 99.38 161 100.00 100.00 2.47e-113 . . . . 17200 1 6 no DBJ BAF36719 . 'hNP95 [Homo sapiens]' . . . . . 98.77 793 100.00 100.00 4.60e-106 . . . . 17200 1 7 no DBJ BAF36720 . 'hNP95 [Homo sapiens]' . . . . . 98.77 793 100.00 100.00 4.60e-106 . . . . 17200 1 8 no DBJ BAF82078 . 'unnamed protein product [Homo sapiens]' . . . . . 98.77 793 100.00 100.00 5.57e-106 . . . . 17200 1 9 no DBJ BAG37156 . 'unnamed protein product [Homo sapiens]' . . . . . 98.77 793 100.00 100.00 4.95e-106 . . . . 17200 1 10 no GB AAF28469 . 'transcription factor ICBP90 [Homo sapiens]' . . . . . 98.77 793 100.00 100.00 5.06e-106 . . . . 17200 1 11 no GB AAI13876 . 'Ubiquitin-like with PHD and ring finger domains 1 [Homo sapiens]' . . . . . 98.77 806 100.00 100.00 5.57e-106 . . . . 17200 1 12 no GB AAK55744 . 'nuclear zinc finger protein Np95 [Homo sapiens]' . . . . . 98.77 793 100.00 100.00 4.60e-106 . . . . 17200 1 13 no GB AAV40831 . 'ubiquitin-like, containing PHD and RING finger domains, 1 [Homo sapiens]' . . . . . 98.77 793 100.00 100.00 4.60e-106 . . . . 17200 1 14 no GB ABQ59043 . 'UHRF1 protein [Homo sapiens]' . . . . . 98.77 793 100.00 100.00 4.60e-106 . . . . 17200 1 15 no REF NP_001041666 . 'E3 ubiquitin-protein ligase UHRF1 isoform 1 [Homo sapiens]' . . . . . 98.77 793 100.00 100.00 4.60e-106 . . . . 17200 1 16 no REF NP_001276979 . 'E3 ubiquitin-protein ligase UHRF1 isoform 1 [Homo sapiens]' . . . . . 98.77 793 100.00 100.00 4.60e-106 . . . . 17200 1 17 no REF NP_001276980 . 'E3 ubiquitin-protein ligase UHRF1 isoform 1 [Homo sapiens]' . . . . . 98.77 793 100.00 100.00 4.60e-106 . . . . 17200 1 18 no REF NP_001276981 . 'E3 ubiquitin-protein ligase UHRF1 isoform 1 [Homo sapiens]' . . . . . 98.77 793 100.00 100.00 4.60e-106 . . . . 17200 1 19 no REF NP_037414 . 'E3 ubiquitin-protein ligase UHRF1 isoform 2 [Homo sapiens]' . . . . . 98.77 806 100.00 100.00 5.57e-106 . . . . 17200 1 20 no SP Q96T88 . 'RecName: Full=E3 ubiquitin-protein ligase UHRF1; AltName: Full=Inverted CCAAT box-binding protein of 90 kDa; AltName: Full=Nucl' . . . . . 98.77 793 100.00 100.00 4.60e-106 . . . . 17200 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 1 124 GLY . 17200 1 2 125 GLY . 17200 1 3 126 MET . 17200 1 4 127 TRP . 17200 1 5 128 ASP . 17200 1 6 129 GLU . 17200 1 7 130 THR . 17200 1 8 131 GLU . 17200 1 9 132 LEU . 17200 1 10 133 GLY . 17200 1 11 134 LEU . 17200 1 12 135 TYR . 17200 1 13 136 LYS . 17200 1 14 137 VAL . 17200 1 15 138 ASN . 17200 1 16 139 GLU . 17200 1 17 140 TYR . 17200 1 18 141 VAL . 17200 1 19 142 ASP . 17200 1 20 143 ALA . 17200 1 21 144 ARG . 17200 1 22 145 ASP . 17200 1 23 146 THR . 17200 1 24 147 ASN . 17200 1 25 148 MET . 17200 1 26 149 GLY . 17200 1 27 150 ALA . 17200 1 28 151 TRP . 17200 1 29 152 PHE . 17200 1 30 153 GLU . 17200 1 31 154 ALA . 17200 1 32 155 GLN . 17200 1 33 156 VAL . 17200 1 34 157 VAL . 17200 1 35 158 ARG . 17200 1 36 159 VAL . 17200 1 37 160 THR . 17200 1 38 161 ARG . 17200 1 39 162 LYS . 17200 1 40 163 ALA . 17200 1 41 164 PRO . 17200 1 42 165 SER . 17200 1 43 166 ARG . 17200 1 44 167 ASP . 17200 1 45 168 GLU . 17200 1 46 169 PRO . 17200 1 47 170 CYS . 17200 1 48 171 SER . 17200 1 49 172 SER . 17200 1 50 173 THR . 17200 1 51 174 SER . 17200 1 52 175 ARG . 17200 1 53 176 PRO . 17200 1 54 177 ALA . 17200 1 55 178 LEU . 17200 1 56 179 GLU . 17200 1 57 180 GLU . 17200 1 58 181 ASP . 17200 1 59 182 VAL . 17200 1 60 183 ILE . 17200 1 61 184 TYR . 17200 1 62 185 HIS . 17200 1 63 186 VAL . 17200 1 64 187 LYS . 17200 1 65 188 TYR . 17200 1 66 189 ASP . 17200 1 67 190 ASP . 17200 1 68 191 TYR . 17200 1 69 192 PRO . 17200 1 70 193 GLU . 17200 1 71 194 ASN . 17200 1 72 195 GLY . 17200 1 73 196 VAL . 17200 1 74 197 VAL . 17200 1 75 198 GLN . 17200 1 76 199 MET . 17200 1 77 200 ASN . 17200 1 78 201 SER . 17200 1 79 202 ARG . 17200 1 80 203 ASP . 17200 1 81 204 VAL . 17200 1 82 205 ARG . 17200 1 83 206 ALA . 17200 1 84 207 ARG . 17200 1 85 208 ALA . 17200 1 86 209 ARG . 17200 1 87 210 THR . 17200 1 88 211 ILE . 17200 1 89 212 ILE . 17200 1 90 213 LYS . 17200 1 91 214 TRP . 17200 1 92 215 GLN . 17200 1 93 216 ASP . 17200 1 94 217 LEU . 17200 1 95 218 GLU . 17200 1 96 219 VAL . 17200 1 97 220 GLY . 17200 1 98 221 GLN . 17200 1 99 222 VAL . 17200 1 100 223 VAL . 17200 1 101 224 MET . 17200 1 102 225 LEU . 17200 1 103 226 ASN . 17200 1 104 227 TYR . 17200 1 105 228 ASN . 17200 1 106 229 PRO . 17200 1 107 230 ASP . 17200 1 108 231 ASN . 17200 1 109 232 PRO . 17200 1 110 233 LYS . 17200 1 111 234 GLU . 17200 1 112 235 ARG . 17200 1 113 236 GLY . 17200 1 114 237 PHE . 17200 1 115 238 TRP . 17200 1 116 239 TYR . 17200 1 117 240 ASP . 17200 1 118 241 ALA . 17200 1 119 242 GLU . 17200 1 120 243 ILE . 17200 1 121 244 SER . 17200 1 122 245 ARG . 17200 1 123 246 LYS . 17200 1 124 247 ARG . 17200 1 125 248 GLU . 17200 1 126 249 THR . 17200 1 127 250 ARG . 17200 1 128 251 THR . 17200 1 129 252 ALA . 17200 1 130 253 ARG . 17200 1 131 254 GLU . 17200 1 132 255 LEU . 17200 1 133 256 TYR . 17200 1 134 257 ALA . 17200 1 135 258 ASN . 17200 1 136 259 VAL . 17200 1 137 260 VAL . 17200 1 138 261 LEU . 17200 1 139 262 GLY . 17200 1 140 263 ASP . 17200 1 141 264 ASP . 17200 1 142 265 SER . 17200 1 143 266 LEU . 17200 1 144 267 ASN . 17200 1 145 268 ASP . 17200 1 146 269 CYS . 17200 1 147 270 ARG . 17200 1 148 271 ILE . 17200 1 149 272 ILE . 17200 1 150 273 PHE . 17200 1 151 274 VAL . 17200 1 152 275 ASP . 17200 1 153 276 GLU . 17200 1 154 277 VAL . 17200 1 155 278 PHE . 17200 1 156 279 LYS . 17200 1 157 280 ILE . 17200 1 158 281 GLU . 17200 1 159 282 ARG . 17200 1 160 283 PRO . 17200 1 161 284 GLY . 17200 1 162 285 GLU . 17200 1 stop_ loop_ _Entity_poly_seq.Hetero _Entity_poly_seq.Mon_ID _Entity_poly_seq.Num _Entity_poly_seq.Comp_index_ID _Entity_poly_seq.Entry_ID _Entity_poly_seq.Entity_ID . GLY 1 1 17200 1 . GLY 2 2 17200 1 . MET 3 3 17200 1 . TRP 4 4 17200 1 . ASP 5 5 17200 1 . GLU 6 6 17200 1 . THR 7 7 17200 1 . GLU 8 8 17200 1 . LEU 9 9 17200 1 . GLY 10 10 17200 1 . LEU 11 11 17200 1 . TYR 12 12 17200 1 . LYS 13 13 17200 1 . VAL 14 14 17200 1 . ASN 15 15 17200 1 . GLU 16 16 17200 1 . TYR 17 17 17200 1 . VAL 18 18 17200 1 . ASP 19 19 17200 1 . ALA 20 20 17200 1 . ARG 21 21 17200 1 . ASP 22 22 17200 1 . THR 23 23 17200 1 . ASN 24 24 17200 1 . MET 25 25 17200 1 . GLY 26 26 17200 1 . ALA 27 27 17200 1 . TRP 28 28 17200 1 . PHE 29 29 17200 1 . GLU 30 30 17200 1 . ALA 31 31 17200 1 . GLN 32 32 17200 1 . VAL 33 33 17200 1 . VAL 34 34 17200 1 . ARG 35 35 17200 1 . VAL 36 36 17200 1 . THR 37 37 17200 1 . ARG 38 38 17200 1 . LYS 39 39 17200 1 . ALA 40 40 17200 1 . PRO 41 41 17200 1 . SER 42 42 17200 1 . ARG 43 43 17200 1 . ASP 44 44 17200 1 . GLU 45 45 17200 1 . PRO 46 46 17200 1 . CYS 47 47 17200 1 . SER 48 48 17200 1 . SER 49 49 17200 1 . THR 50 50 17200 1 . SER 51 51 17200 1 . ARG 52 52 17200 1 . PRO 53 53 17200 1 . ALA 54 54 17200 1 . LEU 55 55 17200 1 . GLU 56 56 17200 1 . GLU 57 57 17200 1 . ASP 58 58 17200 1 . VAL 59 59 17200 1 . ILE 60 60 17200 1 . TYR 61 61 17200 1 . HIS 62 62 17200 1 . VAL 63 63 17200 1 . LYS 64 64 17200 1 . TYR 65 65 17200 1 . ASP 66 66 17200 1 . ASP 67 67 17200 1 . TYR 68 68 17200 1 . PRO 69 69 17200 1 . GLU 70 70 17200 1 . ASN 71 71 17200 1 . GLY 72 72 17200 1 . VAL 73 73 17200 1 . VAL 74 74 17200 1 . GLN 75 75 17200 1 . MET 76 76 17200 1 . ASN 77 77 17200 1 . SER 78 78 17200 1 . ARG 79 79 17200 1 . ASP 80 80 17200 1 . VAL 81 81 17200 1 . ARG 82 82 17200 1 . ALA 83 83 17200 1 . ARG 84 84 17200 1 . ALA 85 85 17200 1 . ARG 86 86 17200 1 . THR 87 87 17200 1 . ILE 88 88 17200 1 . ILE 89 89 17200 1 . LYS 90 90 17200 1 . TRP 91 91 17200 1 . GLN 92 92 17200 1 . ASP 93 93 17200 1 . LEU 94 94 17200 1 . GLU 95 95 17200 1 . VAL 96 96 17200 1 . GLY 97 97 17200 1 . GLN 98 98 17200 1 . VAL 99 99 17200 1 . VAL 100 100 17200 1 . MET 101 101 17200 1 . LEU 102 102 17200 1 . ASN 103 103 17200 1 . TYR 104 104 17200 1 . ASN 105 105 17200 1 . PRO 106 106 17200 1 . ASP 107 107 17200 1 . ASN 108 108 17200 1 . PRO 109 109 17200 1 . LYS 110 110 17200 1 . GLU 111 111 17200 1 . ARG 112 112 17200 1 . GLY 113 113 17200 1 . PHE 114 114 17200 1 . TRP 115 115 17200 1 . TYR 116 116 17200 1 . ASP 117 117 17200 1 . ALA 118 118 17200 1 . GLU 119 119 17200 1 . ILE 120 120 17200 1 . SER 121 121 17200 1 . ARG 122 122 17200 1 . LYS 123 123 17200 1 . ARG 124 124 17200 1 . GLU 125 125 17200 1 . THR 126 126 17200 1 . ARG 127 127 17200 1 . THR 128 128 17200 1 . ALA 129 129 17200 1 . ARG 130 130 17200 1 . GLU 131 131 17200 1 . LEU 132 132 17200 1 . TYR 133 133 17200 1 . ALA 134 134 17200 1 . ASN 135 135 17200 1 . VAL 136 136 17200 1 . VAL 137 137 17200 1 . LEU 138 138 17200 1 . GLY 139 139 17200 1 . ASP 140 140 17200 1 . ASP 141 141 17200 1 . SER 142 142 17200 1 . LEU 143 143 17200 1 . ASN 144 144 17200 1 . ASP 145 145 17200 1 . CYS 146 146 17200 1 . ARG 147 147 17200 1 . ILE 148 148 17200 1 . ILE 149 149 17200 1 . PHE 150 150 17200 1 . VAL 151 151 17200 1 . ASP 152 152 17200 1 . GLU 153 153 17200 1 . VAL 154 154 17200 1 . PHE 155 155 17200 1 . LYS 156 156 17200 1 . ILE 157 157 17200 1 . GLU 158 158 17200 1 . ARG 159 159 17200 1 . PRO 160 160 17200 1 . GLY 161 161 17200 1 . GLU 162 162 17200 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity_2 _Entity.Sf_category entity _Entity.Sf_framecode entity_2 _Entity.Entry_ID 17200 _Entity.ID 2 _Entity.BMRB_code . _Entity.Name 'Histone H3' _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID B _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ARTKQTARXST _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states no _Entity.Ambiguous_chem_comp_sites no _Entity.Nstd_monomer yes _Entity.Nstd_chirality no _Entity.Nstd_linkage no _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 11 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'not present' _Entity.Src_method man _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 1293.529 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date . 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 . ALA . 17200 2 2 . ARG . 17200 2 3 . THR . 17200 2 4 . LYS . 17200 2 5 . GLN . 17200 2 6 . THR . 17200 2 7 . ALA . 17200 2 8 . ARG . 17200 2 9 . M3L . 17200 2 10 . SER . 17200 2 11 . THR . 17200 2 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 . ALA 1 1 17200 2 . ARG 2 2 17200 2 . THR 3 3 17200 2 . LYS 4 4 17200 2 . GLN 5 5 17200 2 . THR 6 6 17200 2 . ALA 7 7 17200 2 . ARG 8 8 17200 2 . M3L 9 9 17200 2 . SER 10 10 17200 2 . THR 11 11 17200 2 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 17200 _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 $entity_1 . 562 organism . 'Escherichia coli' 'E. coli' . . Bacteria . Escherichia coli . . . . . . . . . . . . . . . . . . . . . 17200 1 2 2 $entity_2 . . 'no natural source' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 17200 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 17200 _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 $entity_1 . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli . . . . . . . . . . . . . . . . pET28a . . . . . . 17200 1 2 2 $entity_2 . 'chemical synthesis' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 17200 1 stop_ save_ ################################# # Polymer residues and ligands # ################################# save_chem_comp_M3L _Chem_comp.Sf_category chem_comp _Chem_comp.Sf_framecode chem_comp_M3L _Chem_comp.Entry_ID 17200 _Chem_comp.ID M3L _Chem_comp.Provenance . _Chem_comp.Name N-TRIMETHYLLYSINE _Chem_comp.Type 'L-peptide linking' _Chem_comp.BMRB_code . _Chem_comp.PDB_code M3L _Chem_comp.Ambiguous_flag . _Chem_comp.Initial_date . _Chem_comp.Modified_date . _Chem_comp.Release_status . _Chem_comp.Replaced_by . _Chem_comp.Replaces . _Chem_comp.One_letter_code K _Chem_comp.Three_letter_code M3L _Chem_comp.Number_atoms_all . _Chem_comp.Number_atoms_nh . _Chem_comp.PubChem_code . _Chem_comp.Subcomponent_list . _Chem_comp.InChI_code . _Chem_comp.Mon_nstd_flag . _Chem_comp.Mon_nstd_class . _Chem_comp.Mon_nstd_details . _Chem_comp.Mon_nstd_parent . _Chem_comp.Mon_nstd_parent_comp_ID LYS _Chem_comp.Std_deriv_one_letter_code . _Chem_comp.Std_deriv_three_letter_code . _Chem_comp.Std_deriv_BMRB_code . _Chem_comp.Std_deriv_PDB_code . _Chem_comp.Std_deriv_chem_comp_name . _Chem_comp.Synonyms . _Chem_comp.Formal_charge 1 _Chem_comp.Paramagnetic . _Chem_comp.Aromatic no _Chem_comp.Formula 'C9 H21 N2 O2' _Chem_comp.Formula_weight 189.275 _Chem_comp.Formula_mono_iso_wt_nat . _Chem_comp.Formula_mono_iso_wt_13C . _Chem_comp.Formula_mono_iso_wt_15N . _Chem_comp.Formula_mono_iso_wt_13C_15N . _Chem_comp.Image_file_name . _Chem_comp.Image_file_format . _Chem_comp.Topo_file_name . _Chem_comp.Topo_file_format . _Chem_comp.Struct_file_name . _Chem_comp.Struct_file_format . _Chem_comp.Stereochem_param_file_name . _Chem_comp.Stereochem_param_file_format . _Chem_comp.Model_details . _Chem_comp.Model_erf . _Chem_comp.Model_source . _Chem_comp.Model_coordinates_details . _Chem_comp.Model_coordinates_missing_flag no _Chem_comp.Ideal_coordinates_details . _Chem_comp.Ideal_coordinates_missing_flag no _Chem_comp.Model_coordinates_db_code 1IRV _Chem_comp.Processing_site RCSB _Chem_comp.Vendor . _Chem_comp.Vendor_product_code . _Chem_comp.Details ; Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Tue Jun 9 15:04:00 2009 ; _Chem_comp.DB_query_date . _Chem_comp.DB_last_query_revised_last_date . loop_ _Chem_comp_descriptor.Descriptor _Chem_comp_descriptor.Type _Chem_comp_descriptor.Program _Chem_comp_descriptor.Program_version _Chem_comp_descriptor.Entry_ID _Chem_comp_descriptor.Comp_ID C[N+](C)(C)CCCCC(C(=O)O)N SMILES 'OpenEye OEToolkits' 1.5.0 17200 M3L C[N+](C)(C)CCCC[C@@H](C(=O)O)N SMILES_CANONICAL 'OpenEye OEToolkits' 1.5.0 17200 M3L C[N+](C)(C)CCCC[C@H](N)C(O)=O SMILES_CANONICAL CACTVS 3.341 17200 M3L C[N+](C)(C)CCCC[CH](N)C(O)=O SMILES CACTVS 3.341 17200 M3L InChI=1/C9H20N2O2/c1-11(2,3)7-5-4-6-8(10)9(12)13/h8H,4-7,10H2,1-3H3/p+1/t8-/m0/s1/fC9H21N2O2/h12H/q+1 InChI InChI 1.02b 17200 M3L MXNRLFUSFKVQSK-BYHWLUTBDQ InChIKey InChI 1.02b 17200 M3L O=C(O)C(N)CCCC[N+](C)(C)C SMILES ACDLabs 10.04 17200 M3L stop_ loop_ _Chem_comp_identifier.Identifier _Chem_comp_identifier.Type _Chem_comp_identifier.Program _Chem_comp_identifier.Program_version _Chem_comp_identifier.Entry_ID _Chem_comp_identifier.Comp_ID [(5S)-5-amino-6-hydroxy-6-oxo-hexyl]-trimethyl-azanium 'SYSTEMATIC NAME' 'OpenEye OEToolkits' 1.5.0 17200 M3L N-[(5S)-5-amino-5-carboxypentyl]-N,N-dimethylmethanaminium 'SYSTEMATIC NAME' ACDLabs 10.04 17200 M3L stop_ loop_ _Chem_comp_atom.Atom_ID _Chem_comp_atom.BMRB_code _Chem_comp_atom.PDB_atom_ID _Chem_comp_atom.Alt_atom_ID _Chem_comp_atom.Auth_atom_ID _Chem_comp_atom.Type_symbol _Chem_comp_atom.Isotope_number _Chem_comp_atom.Chirality _Chem_comp_atom.Stereo_config _Chem_comp_atom.Charge _Chem_comp_atom.Partial_charge _Chem_comp_atom.Oxidation_number _Chem_comp_atom.Unpaired_electron_number _Chem_comp_atom.Align _Chem_comp_atom.Aromatic_flag _Chem_comp_atom.Leaving_atom_flag _Chem_comp_atom.Substruct_code _Chem_comp_atom.Ionizable _Chem_comp_atom.Drawing_2D_coord_x _Chem_comp_atom.Drawing_2D_coord_y _Chem_comp_atom.Model_Cartn_x _Chem_comp_atom.Model_Cartn_x_esd _Chem_comp_atom.Model_Cartn_y _Chem_comp_atom.Model_Cartn_y_esd _Chem_comp_atom.Model_Cartn_z _Chem_comp_atom.Model_Cartn_z_esd _Chem_comp_atom.Model_Cartn_x_ideal _Chem_comp_atom.Model_Cartn_y_ideal _Chem_comp_atom.Model_Cartn_z_ideal _Chem_comp_atom.PDBX_ordinal _Chem_comp_atom.Details _Chem_comp_atom.Entry_ID _Chem_comp_atom.Comp_ID C . C . . C . . N 0 . . . . . . . . . . -3.379 . 10.187 . 13.922 . 3.798 0.327 0.065 . . 17200 M3L CA . CA . . C . . S 0 . . . . . . . . . . -3.102 . 11.614 . 14.365 . 2.588 -0.365 -0.509 . . 17200 M3L CB . CB . . C . . N 0 . . . . . . . . . . -4.189 . 12.119 . 15.335 . 1.322 0.202 0.136 . . 17200 M3L CD . CD . . C . . N 0 . . . . . . . . . . -4.441 . 13.558 . 17.321 . -1.176 0.157 0.110 . . 17200 M3L CE . CE . . C . . N 0 . . . . . . . . . . -3.694 . 14.657 . 18.071 . -2.408 -0.455 -0.560 . . 17200 M3L CG . CG . . C . . N 0 . . . . . . . . . . -3.880 . 13.549 . 15.831 . 0.090 -0.410 -0.535 . . 17200 M3L CM1 . CM1 . . C . . N 0 . . . . . . . . . . -4.397 . 14.369 . 20.286 . -3.648 1.549 -0.111 . . 17200 M3L CM2 . CM2 . . C . . N 0 . . . . . . . . . . -4.155 . 16.639 . 19.590 . -3.632 -0.237 1.491 . . 17200 M3L CM3 . CM3 . . C . . N 0 . . . . . . . . . . -5.970 . 15.303 . 18.583 . -4.806 -0.498 -0.585 . . 17200 M3L H . H . . H . . N 0 . . . . . . . . . . -2.094 . 12.204 . 12.614 . 2.704 -1.910 0.766 . . 17200 M3L H2 . H2 . . H . . N 0 . . . . . . . . . . -2.573 . 13.463 . 13.613 . 1.802 -2.211 -0.544 . . 17200 M3L HA . HA . . H . . N 0 . . . . . . . . . . -2.146 . 11.591 . 14.939 . 2.553 -0.200 -1.586 . . 17200 M3L HB2 . HB2 . . H . . N 0 . . . . . . . . . . -5.204 . 12.054 . 14.880 . 1.304 1.285 0.010 . . 17200 M3L HB3 . HB3 . . H . . N 0 . . . . . . . . . . -4.337 . 11.414 . 16.186 . 1.315 -0.040 1.198 . . 17200 M3L HD2 . HD2 . . H . . N 0 . . . . . . . . . . -5.549 . 13.668 . 17.371 . -1.194 1.240 -0.016 . . 17200 M3L HD3 . HD3 . . H . . N 0 . . . . . . . . . . -4.374 . 12.563 . 17.820 . -1.182 -0.085 1.173 . . 17200 M3L HE2 . HE2 . . H . . N 0 . . . . . . . . . . -2.739 . 14.282 . 18.507 . -2.389 -1.537 -0.435 . . 17200 M3L HE3 . HE3 . . H . . N 0 . . . . . . . . . . -3.272 . 15.418 . 17.374 . -2.401 -0.212 -1.623 . . 17200 M3L HG2 . HG2 . . H . . N 0 . . . . . . . . . . -2.809 . 13.847 . 15.739 . 0.109 -1.492 -0.409 . . 17200 M3L HG3 . HG3 . . H . . N 0 . . . . . . . . . . -4.284 . 14.359 . 15.181 . 0.097 -0.167 -1.598 . . 17200 M3L HM11 . HM11 . . H . . N 0 . . . . . . . . . . -5.050 . 14.834 . 21.060 . -2.771 1.985 0.367 . . 17200 M3L HM12 . HM12 . . H . . N 0 . . . . . . . . . . -4.612 . 13.295 . 20.077 . -3.641 1.791 -1.173 . . 17200 M3L HM13 . HM13 . . H . . N 0 . . . . . . . . . . -3.339 . 14.210 . 20.601 . -4.550 1.953 0.349 . . 17200 M3L HM21 . HM21 . . H . . N 0 . . . . . . . . . . -4.808 . 17.104 . 20.364 . -4.534 0.167 1.950 . . 17200 M3L HM22 . HM22 . . H . . N 0 . . . . . . . . . . -3.101 . 16.605 . 19.953 . -3.614 -1.320 1.616 . . 17200 M3L HM23 . HM23 . . H . . N 0 . . . . . . . . . . -4.045 . 17.329 . 18.721 . -2.755 0.199 1.968 . . 17200 M3L HM31 . HM31 . . H . . N 0 . . . . . . . . . . -6.623 . 15.768 . 19.357 . -4.799 -0.255 -1.648 . . 17200 M3L HM32 . HM32 . . H . . N 0 . . . . . . . . . . -6.049 . 15.806 . 17.591 . -4.788 -1.581 -0.459 . . 17200 M3L HM33 . HM33 . . H . . N 0 . . . . . . . . . . -6.326 . 14.295 . 18.266 . -5.708 -0.094 -0.126 . . 17200 M3L HXT . HXT . . H . . N 0 . . . . . . . . . . -3.940 . 9.184 . 12.428 . 4.929 1.985 -0.016 . . 17200 M3L N . N . . N . . N 0 . . . . . . . . . . -2.814 . 12.539 . 13.256 . 2.673 -1.806 -0.237 . . 17200 M3L NZ . NZ . . N . . N 1 . . . . . . . . . . -4.572 . 15.283 . 19.112 . -3.623 0.090 0.059 . . 17200 M3L O . O . . O . . N 0 . . . . . . . . . . -3.248 . 9.276 . 14.755 . 4.447 -0.211 0.930 . . 17200 M3L OXT . OXT . . O . . N 0 . . . . . . . . . . -3.767 . 10.077 . 12.705 . 4.153 1.541 -0.384 . . 17200 M3L stop_ loop_ _Chem_comp_bond.ID _Chem_comp_bond.Type _Chem_comp_bond.Value_order _Chem_comp_bond.Atom_ID_1 _Chem_comp_bond.Atom_ID_2 _Chem_comp_bond.Aromatic_flag _Chem_comp_bond.Stereo_config _Chem_comp_bond.Ordinal _Chem_comp_bond.Details _Chem_comp_bond.Entry_ID _Chem_comp_bond.Comp_ID 1 . SING N CA . . . . 17200 M3L 2 . SING N H . . . . 17200 M3L 3 . SING N H2 . . . . 17200 M3L 4 . SING CA CB . . . . 17200 M3L 5 . SING CA C . . . . 17200 M3L 6 . SING CA HA . . . . 17200 M3L 7 . SING CB CG . . . . 17200 M3L 8 . SING CB HB2 . . . . 17200 M3L 9 . SING CB HB3 . . . . 17200 M3L 10 . SING CG CD . . . . 17200 M3L 11 . SING CG HG2 . . . . 17200 M3L 12 . SING CG HG3 . . . . 17200 M3L 13 . SING CD CE . . . . 17200 M3L 14 . SING CD HD2 . . . . 17200 M3L 15 . SING CD HD3 . . . . 17200 M3L 16 . SING CE NZ . . . . 17200 M3L 17 . SING CE HE2 . . . . 17200 M3L 18 . SING CE HE3 . . . . 17200 M3L 19 . SING NZ CM1 . . . . 17200 M3L 20 . SING NZ CM2 . . . . 17200 M3L 21 . SING NZ CM3 . . . . 17200 M3L 22 . DOUB C O . . . . 17200 M3L 23 . SING C OXT . . . . 17200 M3L 24 . SING OXT HXT . . . . 17200 M3L 25 . SING CM1 HM11 . . . . 17200 M3L 26 . SING CM1 HM12 . . . . 17200 M3L 27 . SING CM1 HM13 . . . . 17200 M3L 28 . SING CM2 HM21 . . . . 17200 M3L 29 . SING CM2 HM22 . . . . 17200 M3L 30 . SING CM2 HM23 . . . . 17200 M3L 31 . SING CM3 HM31 . . . . 17200 M3L 32 . SING CM3 HM32 . . . . 17200 M3L 33 . SING CM3 HM33 . . . . 17200 M3L stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 17200 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '90% H2O/10% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 'UHRF1 Tandem Tudor Domains' '[U-100% 15N]' . . 1 $entity_1 . . 0.6 . . mM . . . . 17200 1 2 'UHRF1 Tandem Tudor Domains' '[U-100% 13C]' . . 1 $entity_1 . . 0.6 . . mM . . . . 17200 1 3 'Histone H3' 'natural abundance' . . 2 $entity_2 . . 3 . . mM . . . . 17200 1 4 'Sodium Phosphate' 'natural abundance' . . . . . . 20 . . mM . . . . 17200 1 5 'Sodium Chloride' 'natural abundance' . . . . . . 250 . . mM . . . . 17200 1 6 DTT 'natural abundance' . . . . . . 2 . . mM . . . . 17200 1 7 Benzamidine 'natural abundance' . . . . . . 1 . . mM . . . . 17200 1 8 PMSF 'natural abundance' . . . . . . 0.5 . . mM . . . . 17200 1 9 H2O 'natural abundance' . . . . . . 90 . . % . . . . 17200 1 10 D2O 'natural abundance' . . . . . . 10 . . % . . . . 17200 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_2 _Sample.Sf_category sample _Sample.Sf_framecode sample_2 _Sample.Entry_ID 17200 _Sample.ID 2 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '90% H2O/10% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 'UHRF1 Tandem Tudor Domains' '[U-100% 15N]' . . 1 $entity_1 . . 0.6 . . mM . . . . 17200 2 2 'UHRF1 Tandem Tudor Domains' '[U-100% 13C]' . . 1 $entity_1 . . 0.6 . . mM . . . . 17200 2 3 'Histone H3' 'natural abundance' . . 2 $entity_2 . . 3 . . mM . . . . 17200 2 4 'Sodium Phosphate' 'natural abundance' . . . . . . 20 . . mM . . . . 17200 2 5 'Sodium Chloride' 'natural abundance' . . . . . . 250 . . mM . . . . 17200 2 6 DTT 'natural abundance' . . . . . . 2 . . mM . . . . 17200 2 7 Benzamidine 'natural abundance' . . . . . . 1 . . mM . . . . 17200 2 8 PMSF 'natural abundance' . . . . . . 0.5 . . mM . . . . 17200 2 9 'Pf1 phage' 'natural abundance' . . . . . . 10 . . mg/ml . . . . 17200 2 10 H2O 'natural abundance' . . . . . . 90 . . % . . . . 17200 2 11 D2O 'natural abundance' . . . . . . 10 . . % . . . . 17200 2 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_3 _Sample.Sf_category sample _Sample.Sf_framecode sample_3 _Sample.Entry_ID 17200 _Sample.ID 3 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '90% H2O/10% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 'UHRF1 Tandem Tudor Domains' '[U-100% 15N]' . . 1 $entity_1 . . 0.6 . . mM . . . . 17200 3 2 'UHRF1 Tandem Tudor Domains' '[U-100% 13C]' . . 1 $entity_1 . . 0.6 . . mM . . . . 17200 3 3 'Histone H3' 'natural abundance' . . 2 $entity_2 . . 3 . . mM . . . . 17200 3 4 'Sodium Phosphate' 'natural abundance' . . . . . . 20 . . mM . . . . 17200 3 5 'Sodium Chloride' 'natural abundance' . . . . . . 250 . . mM . . . . 17200 3 6 DTT 'natural abundance' . . . . . . 2 . . mM . . . . 17200 3 7 Benzamidine 'natural abundance' . . . . . . 1 . . mM . . . . 17200 3 8 PMSF 'natural abundance' . . . . . . 0.5 . . mM . . . . 17200 3 9 'C12E5 peg/hexanol' 'natural abundance' . . . . . . 6 . . % . . . . 17200 3 10 H2O 'natural abundance' . . . . . . 90 . . % . . . . 17200 3 11 D2O 'natural abundance' . . . . . . 10 . . % . . . . 17200 3 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_4 _Sample.Sf_category sample _Sample.Sf_framecode sample_4 _Sample.Entry_ID 17200 _Sample.ID 4 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '90% H2O/10% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 'UHRF1 Tandem Tudor Domains' '[U-100% 15N]' . . 1 $entity_1 . . 0.6 . . mM . . . . 17200 4 2 'UHRF1 Tandem Tudor Domains' '[U-100% 13C]' . . 1 $entity_1 . . 0.6 . . mM . . . . 17200 4 3 'Histone H3' 'natural abundance' . . 2 $entity_2 . . 3 . . mM . . . . 17200 4 4 'Sodium Phosphate' 'natural abundance' . . . . . . 20 . . mM . . . . 17200 4 5 'Sodium Chloride' 'natural abundance' . . . . . . 250 . . mM . . . . 17200 4 6 DTT 'natural abundance' . . . . . . 2 . . mM . . . . 17200 4 7 Benzamidine 'natural abundance' . . . . . . 1 . . mM . . . . 17200 4 8 PMSF 'natural abundance' . . . . . . 0.5 . . mM . . . . 17200 4 9 'C12E5 peg/hexanol' 'natural abundance' . . . . . . 3.3 . . % . . . . 17200 4 10 H2O 'natural abundance' . . . . . . 90 . . % . . . . 17200 4 11 D2O 'natural abundance' . . . . . . 10 . . % . . . . 17200 4 stop_ save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode sample_conditions_1 _Sample_condition_list.Entry_ID 17200 _Sample_condition_list.ID 1 _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID 'ionic strength' 250 . mM 17200 1 pH 7 . pH 17200 1 pressure 1 . atm 17200 1 temperature 298 . K 17200 1 stop_ save_ ############################ # Computer software used # ############################ save_ABACUS _Software.Sf_category software _Software.Sf_framecode ABACUS _Software.Entry_ID 17200 _Software.ID 1 _Software.Name ABACUS _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID Lemak . . 17200 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' 17200 1 stop_ save_ ############################ # Computer software used # ############################ save_CYANA _Software.Sf_category software _Software.Sf_framecode CYANA _Software.Entry_ID 17200 _Software.ID 2 _Software.Name CYANA _Software.Version 3.0 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Guntert, Mumenthaler and Wuthrich' . . 17200 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'structure solution' 17200 2 stop_ save_ ############################ # Computer software used # ############################ save_NMRPipe _Software.Sf_category software _Software.Sf_framecode NMRPipe _Software.Entry_ID 17200 _Software.ID 3 _Software.Name NMRPipe _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax' . . 17200 3 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID processing 17200 3 stop_ save_ ############################ # Computer software used # ############################ save_CNS _Software.Sf_category software _Software.Sf_framecode CNS _Software.Entry_ID 17200 _Software.ID 4 _Software.Name CNS _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Brunger, Adams, Clore, Gros, Nilges and Read' . . 17200 4 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID refinement 17200 4 stop_ save_ ############################ # Computer software used # ############################ save_SPARKY _Software.Sf_category software _Software.Sf_framecode SPARKY _Software.Entry_ID 17200 _Software.ID 5 _Software.Name SPARKY _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID Goddard . . 17200 5 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'peak picking' 17200 5 stop_ save_ ############################ # Computer software used # ############################ save_FuDA _Software.Sf_category software _Software.Sf_framecode FuDA _Software.Entry_ID 17200 _Software.ID 6 _Software.Name FuDA _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Flemming Hansen' . http://pound.med.utoronto.ca/software 17200 6 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID processing 17200 6 stop_ save_ ############################ # Computer software used # ############################ save_TALOS _Software.Sf_category software _Software.Sf_framecode TALOS _Software.Entry_ID 17200 _Software.ID 7 _Software.Name TALOS _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Cornilescu, Delaglio and Bax' . . 17200 7 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'geometry optimization' 17200 7 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_1 _NMR_spectrometer.Entry_ID 17200 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 800 save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_2 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_2 _NMR_spectrometer.Entry_ID 17200 _NMR_spectrometer.ID 2 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_3 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_3 _NMR_spectrometer.Entry_ID 17200 _NMR_spectrometer.ID 3 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Varian _NMR_spectrometer.Model INOVA _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ save_NMR_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode NMR_spectrometer_list _NMR_spectrometer_list.Entry_ID 17200 _NMR_spectrometer_list.ID 1 loop_ _NMR_spectrometer_view.ID _NMR_spectrometer_view.Name _NMR_spectrometer_view.Manufacturer _NMR_spectrometer_view.Model _NMR_spectrometer_view.Serial_number _NMR_spectrometer_view.Field_strength _NMR_spectrometer_view.Details _NMR_spectrometer_view.Citation_ID _NMR_spectrometer_view.Citation_label _NMR_spectrometer_view.Entry_ID _NMR_spectrometer_view.NMR_spectrometer_list_ID 1 spectrometer_1 Bruker Avance . 800 . . . 17200 1 2 spectrometer_2 Bruker Avance . 600 . . . 17200 1 3 spectrometer_3 Varian INOVA . 600 . . . 17200 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 17200 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NMR_spec_expt_ID _Experiment.NMR_spec_expt_label _Experiment.MS_expt_ID _Experiment.MS_expt_label _Experiment.SAXS_expt_ID _Experiment.SAXS_expt_label _Experiment.FRET_expt_ID _Experiment.FRET_expt_label _Experiment.EMR_expt_ID _Experiment.EMR_expt_label _Experiment.Sample_ID _Experiment.Sample_label _Experiment.Sample_state _Experiment.Sample_volume _Experiment.Sample_volume_units _Experiment.Sample_condition_list_ID _Experiment.Sample_condition_list_label _Experiment.Sample_spinning_rate _Experiment.Sample_angle _Experiment.NMR_tube_type _Experiment.NMR_spectrometer_ID _Experiment.NMR_spectrometer_label _Experiment.NMR_spectrometer_probe_ID _Experiment.NMR_spectrometer_probe_label _Experiment.NMR_spectral_processing_ID _Experiment.NMR_spectral_processing_label _Experiment.Mass_spectrometer_ID _Experiment.Mass_spectrometer_label _Experiment.Xray_instrument_ID _Experiment.Xray_instrument_label _Experiment.Fluorescence_instrument_ID _Experiment.Fluorescence_instrument_label _Experiment.EMR_instrument_ID _Experiment.EMR_instrument_label _Experiment.Chromatographic_system_ID _Experiment.Chromatographic_system_label _Experiment.Chromatographic_column_ID _Experiment.Chromatographic_column_label _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 '2D 1H-15N HSQC' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 17200 1 2 '2D 1H-13C HSQC' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 17200 1 3 '3D CBCA(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 17200 1 4 '3D HNCO' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 17200 1 5 '3D HNCA' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 17200 1 6 '3D HBHA(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 17200 1 7 '3D HCCH-TOCSY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 17200 1 8 '3D 1H-15N NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 17200 1 9 '3D 1H-13C NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 17200 1 10 Aro-NOESY no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 17200 1 11 'Aro-2D-1H-13C HSQC' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 17200 1 12 Aro-3D-TOCSY no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 17200 1 13 2D-TOCSY no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 17200 1 14 '3D-Edited-15N/13C NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 17200 1 15 'IPAP-15N-1H HSQC' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 17200 1 16 J-evolution-13CO-13CA no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 17200 1 17 J-evolution-15N-13CO no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 17200 1 18 'IPAP-15N-1H HSQC' no . . . . . . . . . . 2 $sample_2 anisotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 17200 1 19 'IPAP-15N-1H HSQC' no . . . . . . . . . . 3 $sample_3 anisotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 17200 1 20 'IPAP-15N-1H HSQC' no . . . . . . . . . . 4 $sample_4 anisotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 17200 1 21 J-evolution-13CO-13CA no . . . . . . . . . . 4 $sample_4 anisotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 17200 1 22 J-evolution-15N-13CO no . . . . . . . . . . 4 $sample_4 anisotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 17200 1 stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference_1 _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chemical_shift_reference_1 _Chem_shift_reference.Entry_ID 17200 _Chem_shift_reference.ID 1 _Chem_shift_reference.Details . loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Indirect_shift_ratio_cit_ID _Chem_shift_ref.Indirect_shift_ratio_cit_label _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Correction_val_cit_ID _Chem_shift_ref.Correction_val_cit_label _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C 13 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.251449530 . . . . . . . . . 17200 1 H 1 DSS 'methyl protons' . . . . ppm 0.00 internal direct 1.000000000 . . . . . . . . . 17200 1 N 15 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.101329118 . . . . . . . . . 17200 1 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_assigned_chem_shift_list_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chem_shift_list_1 _Assigned_chem_shift_list.Entry_ID 17200 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 3 '3D CBCA(CO)NH' . . . 17200 1 4 '3D HNCO' . . . 17200 1 5 '3D HNCA' . . . 17200 1 6 '3D HBHA(CO)NH' . . . 17200 1 7 '3D HCCH-TOCSY' . . . 17200 1 8 '3D 1H-15N NOESY' . . . 17200 1 9 '3D 1H-13C NOESY' . . . 17200 1 10 Aro-NOESY . . . 17200 1 14 '3D-Edited-15N/13C NOESY' . . . 17200 1 15 'IPAP-15N-1H HSQC' . . . 17200 1 16 J-evolution-13CO-13CA . . . 17200 1 17 J-evolution-15N-13CO . . . 17200 1 18 'IPAP-15N-1H HSQC' . . . 17200 1 19 'IPAP-15N-1H HSQC' . . . 17200 1 20 'IPAP-15N-1H HSQC' . . . 17200 1 21 J-evolution-13CO-13CA . . . 17200 1 22 J-evolution-15N-13CO . . . 17200 1 stop_ loop_ _Chem_shift_software.Software_ID _Chem_shift_software.Software_label _Chem_shift_software.Method_ID _Chem_shift_software.Method_label _Chem_shift_software.Entry_ID _Chem_shift_software.Assigned_chem_shift_list_ID 1 $ABACUS . . 17200 1 2 $CYANA . . 17200 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 1 2 2 GLY HA2 H 1 4.00 0.0300 . 1 . . . . 125 GLY HA2 . 17200 1 2 . 1 1 2 2 GLY HA3 H 1 4.00 0.0300 . 1 . . . . 125 GLY HA3 . 17200 1 3 . 1 1 2 2 GLY C C 13 174.25 0.4000 . 1 . . . . 125 GLY C . 17200 1 4 . 1 1 2 2 GLY CA C 13 45.44 0.4000 . 1 . . . . 125 GLY CA . 17200 1 5 . 1 1 3 3 MET H H 1 8.20 0.0300 . 1 . . . . 126 MET H . 17200 1 6 . 1 1 3 3 MET HA H 1 4.25 0.0300 . 1 . . . . 126 MET HA . 17200 1 7 . 1 1 3 3 MET HB2 H 1 1.72 0.0300 . 2 . . . . 126 MET HB2 . 17200 1 8 . 1 1 3 3 MET HB3 H 1 1.69 0.0300 . 2 . . . . 126 MET HB3 . 17200 1 9 . 1 1 3 3 MET HE1 H 1 1.96 0.0300 . 1 . . . . 126 MET HE . 17200 1 10 . 1 1 3 3 MET HE2 H 1 1.96 0.0300 . 1 . . . . 126 MET HE . 17200 1 11 . 1 1 3 3 MET HE3 H 1 1.96 0.0300 . 1 . . . . 126 MET HE . 17200 1 12 . 1 1 3 3 MET HG2 H 1 2.19 0.0300 . 1 . . . . 126 MET HG2 . 17200 1 13 . 1 1 3 3 MET HG3 H 1 2.19 0.0300 . 1 . . . . 126 MET HG3 . 17200 1 14 . 1 1 3 3 MET C C 13 176.05 0.4000 . 1 . . . . 126 MET C . 17200 1 15 . 1 1 3 3 MET CA C 13 56.44 0.4000 . 1 . . . . 126 MET CA . 17200 1 16 . 1 1 3 3 MET CB C 13 32.81 0.4000 . 1 . . . . 126 MET CB . 17200 1 17 . 1 1 3 3 MET CE C 13 18.87 0.4000 . 1 . . . . 126 MET CE . 17200 1 18 . 1 1 3 3 MET CG C 13 31.54 0.4000 . 1 . . . . 126 MET CG . 17200 1 19 . 1 1 3 3 MET N N 15 120.29 0.4000 . 1 . . . . 126 MET N . 17200 1 20 . 1 1 4 4 TRP H H 1 8.25 0.0300 . 1 . . . . 127 TRP H . 17200 1 21 . 1 1 4 4 TRP HA H 1 4.81 0.0300 . 1 . . . . 127 TRP HA . 17200 1 22 . 1 1 4 4 TRP HB2 H 1 3.36 0.0300 . 2 . . . . 127 TRP HB2 . 17200 1 23 . 1 1 4 4 TRP HB3 H 1 3.18 0.0300 . 2 . . . . 127 TRP HB3 . 17200 1 24 . 1 1 4 4 TRP HD1 H 1 7.23 0.0300 . 1 . . . . 127 TRP HD1 . 17200 1 25 . 1 1 4 4 TRP HE1 H 1 10.18 0.0300 . 1 . . . . 127 TRP HE1 . 17200 1 26 . 1 1 4 4 TRP HE3 H 1 7.63 0.0300 . 1 . . . . 127 TRP HE3 . 17200 1 27 . 1 1 4 4 TRP HH2 H 1 7.20 0.0300 . 1 . . . . 127 TRP HH2 . 17200 1 28 . 1 1 4 4 TRP HZ2 H 1 7.47 0.0300 . 1 . . . . 127 TRP HZ2 . 17200 1 29 . 1 1 4 4 TRP HZ3 H 1 7.12 0.0300 . 1 . . . . 127 TRP HZ3 . 17200 1 30 . 1 1 4 4 TRP C C 13 175.73 0.4000 . 1 . . . . 127 TRP C . 17200 1 31 . 1 1 4 4 TRP CA C 13 56.77 0.4000 . 1 . . . . 127 TRP CA . 17200 1 32 . 1 1 4 4 TRP CB C 13 29.61 0.4000 . 1 . . . . 127 TRP CB . 17200 1 33 . 1 1 4 4 TRP CD1 C 13 127.28 0.4000 . 1 . . . . 127 TRP CD1 . 17200 1 34 . 1 1 4 4 TRP CE3 C 13 120.85 0.4000 . 1 . . . . 127 TRP CE3 . 17200 1 35 . 1 1 4 4 TRP CH2 C 13 124.53 0.4000 . 1 . . . . 127 TRP CH2 . 17200 1 36 . 1 1 4 4 TRP CZ2 C 13 114.62 0.4000 . 1 . . . . 127 TRP CZ2 . 17200 1 37 . 1 1 4 4 TRP CZ3 C 13 121.95 0.4000 . 1 . . . . 127 TRP CZ3 . 17200 1 38 . 1 1 4 4 TRP N N 15 119.81 0.4000 . 1 . . . . 127 TRP N . 17200 1 39 . 1 1 4 4 TRP NE1 N 15 129.33 0.4000 . 1 . . . . 127 TRP NE1 . 17200 1 40 . 1 1 5 5 ASP H H 1 8.12 0.0300 . 1 . . . . 128 ASP H . 17200 1 41 . 1 1 5 5 ASP HA H 1 4.61 0.0300 . 1 . . . . 128 ASP HA . 17200 1 42 . 1 1 5 5 ASP HB2 H 1 2.63 0.0300 . 1 . . . . 128 ASP HB2 . 17200 1 43 . 1 1 5 5 ASP HB3 H 1 2.63 0.0300 . 1 . . . . 128 ASP HB3 . 17200 1 44 . 1 1 5 5 ASP C C 13 176.11 0.4000 . 1 . . . . 128 ASP C . 17200 1 45 . 1 1 5 5 ASP CA C 13 54.18 0.4000 . 1 . . . . 128 ASP CA . 17200 1 46 . 1 1 5 5 ASP CB C 13 41.22 0.4000 . 1 . . . . 128 ASP CB . 17200 1 47 . 1 1 5 5 ASP N N 15 121.07 0.4000 . 1 . . . . 128 ASP N . 17200 1 48 . 1 1 6 6 GLU H H 1 8.35 0.0300 . 1 . . . . 129 GLU H . 17200 1 49 . 1 1 6 6 GLU HA H 1 4.35 0.0300 . 1 . . . . 129 GLU HA . 17200 1 50 . 1 1 6 6 GLU HB2 H 1 2.11 0.0300 . 2 . . . . 129 GLU HB2 . 17200 1 51 . 1 1 6 6 GLU HB3 H 1 1.98 0.0300 . 2 . . . . 129 GLU HB3 . 17200 1 52 . 1 1 6 6 GLU HG2 H 1 2.32 0.0300 . 2 . . . . 129 GLU HG2 . 17200 1 53 . 1 1 6 6 GLU HG3 H 1 2.24 0.0300 . 2 . . . . 129 GLU HG3 . 17200 1 54 . 1 1 6 6 GLU C C 13 176.62 0.4000 . 1 . . . . 129 GLU C . 17200 1 55 . 1 1 6 6 GLU CA C 13 56.99 0.4000 . 1 . . . . 129 GLU CA . 17200 1 56 . 1 1 6 6 GLU CB C 13 30.16 0.4000 . 1 . . . . 129 GLU CB . 17200 1 57 . 1 1 6 6 GLU CG C 13 36.60 0.4000 . 1 . . . . 129 GLU CG . 17200 1 58 . 1 1 6 6 GLU N N 15 121.25 0.4000 . 1 . . . . 129 GLU N . 17200 1 59 . 1 1 7 7 THR H H 1 8.15 0.0300 . 1 . . . . 130 THR H . 17200 1 60 . 1 1 7 7 THR HA H 1 4.42 0.0300 . 1 . . . . 130 THR HA . 17200 1 61 . 1 1 7 7 THR HB H 1 4.13 0.0300 . 1 . . . . 130 THR HB . 17200 1 62 . 1 1 7 7 THR HG21 H 1 1.12 0.0300 . 1 . . . . 130 THR HG2 . 17200 1 63 . 1 1 7 7 THR HG22 H 1 1.12 0.0300 . 1 . . . . 130 THR HG2 . 17200 1 64 . 1 1 7 7 THR HG23 H 1 1.12 0.0300 . 1 . . . . 130 THR HG2 . 17200 1 65 . 1 1 7 7 THR C C 13 174.03 0.4000 . 1 . . . . 130 THR C . 17200 1 66 . 1 1 7 7 THR CA C 13 61.81 0.4000 . 1 . . . . 130 THR CA . 17200 1 67 . 1 1 7 7 THR CB C 13 69.86 0.4000 . 1 . . . . 130 THR CB . 17200 1 68 . 1 1 7 7 THR CG2 C 13 21.26 0.4000 . 1 . . . . 130 THR CG2 . 17200 1 69 . 1 1 7 7 THR N N 15 114.43 0.4000 . 1 . . . . 130 THR N . 17200 1 70 . 1 1 8 8 GLU H H 1 8.37 0.0300 . 1 . . . . 131 GLU H . 17200 1 71 . 1 1 8 8 GLU HA H 1 4.42 0.0300 . 1 . . . . 131 GLU HA . 17200 1 72 . 1 1 8 8 GLU HB2 H 1 2.13 0.0300 . 2 . . . . 131 GLU HB2 . 17200 1 73 . 1 1 8 8 GLU HB3 H 1 1.89 0.0300 . 2 . . . . 131 GLU HB3 . 17200 1 74 . 1 1 8 8 GLU C C 13 176.06 0.4000 . 1 . . . . 131 GLU C . 17200 1 75 . 1 1 8 8 GLU CA C 13 56.27 0.4000 . 1 . . . . 131 GLU CA . 17200 1 76 . 1 1 8 8 GLU CB C 13 30.03 0.4000 . 1 . . . . 131 GLU CB . 17200 1 77 . 1 1 8 8 GLU N N 15 123.18 0.4000 . 1 . . . . 131 GLU N . 17200 1 78 . 1 1 9 9 LEU H H 1 8.02 0.0300 . 1 . . . . 132 LEU H . 17200 1 79 . 1 1 9 9 LEU HA H 1 4.27 0.0300 . 1 . . . . 132 LEU HA . 17200 1 80 . 1 1 9 9 LEU HB2 H 1 1.51 0.0300 . 1 . . . . 132 LEU HB2 . 17200 1 81 . 1 1 9 9 LEU HB3 H 1 1.51 0.0300 . 1 . . . . 132 LEU HB3 . 17200 1 82 . 1 1 9 9 LEU HD11 H 1 0.82 0.0300 . 2 . . . . 132 LEU HD1 . 17200 1 83 . 1 1 9 9 LEU HD12 H 1 0.82 0.0300 . 2 . . . . 132 LEU HD1 . 17200 1 84 . 1 1 9 9 LEU HD13 H 1 0.82 0.0300 . 2 . . . . 132 LEU HD1 . 17200 1 85 . 1 1 9 9 LEU HD21 H 1 0.78 0.0300 . 2 . . . . 132 LEU HD2 . 17200 1 86 . 1 1 9 9 LEU HD22 H 1 0.78 0.0300 . 2 . . . . 132 LEU HD2 . 17200 1 87 . 1 1 9 9 LEU HD23 H 1 0.78 0.0300 . 2 . . . . 132 LEU HD2 . 17200 1 88 . 1 1 9 9 LEU HG H 1 1.53 0.0300 . 1 . . . . 132 LEU HG . 17200 1 89 . 1 1 9 9 LEU C C 13 176.85 0.4000 . 1 . . . . 132 LEU C . 17200 1 90 . 1 1 9 9 LEU CA C 13 55.33 0.4000 . 1 . . . . 132 LEU CA . 17200 1 91 . 1 1 9 9 LEU CB C 13 43.06 0.4000 . 1 . . . . 132 LEU CB . 17200 1 92 . 1 1 9 9 LEU CD1 C 13 25.24 0.4000 . 1 . . . . 132 LEU CD1 . 17200 1 93 . 1 1 9 9 LEU CD2 C 13 23.64 0.4000 . 1 . . . . 132 LEU CD2 . 17200 1 94 . 1 1 9 9 LEU CG C 13 26.89 0.4000 . 1 . . . . 132 LEU CG . 17200 1 95 . 1 1 9 9 LEU N N 15 122.06 0.4000 . 1 . . . . 132 LEU N . 17200 1 96 . 1 1 10 10 GLY H H 1 8.23 0.0300 . 1 . . . . 133 GLY H . 17200 1 97 . 1 1 10 10 GLY N N 15 107.95 0.4000 . 1 . . . . 133 GLY N . 17200 1 98 . 1 1 11 11 LEU HA H 1 3.93 0.0300 . 1 . . . . 134 LEU HA . 17200 1 99 . 1 1 11 11 LEU HB2 H 1 1.16 0.0300 . 2 . . . . 134 LEU HB2 . 17200 1 100 . 1 1 11 11 LEU HB3 H 1 0.88 0.0300 . 2 . . . . 134 LEU HB3 . 17200 1 101 . 1 1 11 11 LEU HD11 H 1 0.79 0.0300 . 2 . . . . 134 LEU HD1 . 17200 1 102 . 1 1 11 11 LEU HD12 H 1 0.79 0.0300 . 2 . . . . 134 LEU HD1 . 17200 1 103 . 1 1 11 11 LEU HD13 H 1 0.79 0.0300 . 2 . . . . 134 LEU HD1 . 17200 1 104 . 1 1 11 11 LEU HD21 H 1 0.72 0.0300 . 2 . . . . 134 LEU HD2 . 17200 1 105 . 1 1 11 11 LEU HD22 H 1 0.72 0.0300 . 2 . . . . 134 LEU HD2 . 17200 1 106 . 1 1 11 11 LEU HD23 H 1 0.72 0.0300 . 2 . . . . 134 LEU HD2 . 17200 1 107 . 1 1 11 11 LEU HG H 1 1.26 0.0300 . 1 . . . . 134 LEU HG . 17200 1 108 . 1 1 11 11 LEU C C 13 177.17 0.4000 . 1 . . . . 134 LEU C . 17200 1 109 . 1 1 11 11 LEU CA C 13 56.41 0.4000 . 1 . . . . 134 LEU CA . 17200 1 110 . 1 1 11 11 LEU CB C 13 42.68 0.4000 . 1 . . . . 134 LEU CB . 17200 1 111 . 1 1 11 11 LEU CD1 C 13 24.85 0.4000 . 1 . . . . 134 LEU CD1 . 17200 1 112 . 1 1 11 11 LEU CD2 C 13 23.73 0.4000 . 1 . . . . 134 LEU CD2 . 17200 1 113 . 1 1 11 11 LEU CG C 13 26.67 0.4000 . 1 . . . . 134 LEU CG . 17200 1 114 . 1 1 12 12 TYR H H 1 7.55 0.0300 . 1 . . . . 135 TYR H . 17200 1 115 . 1 1 12 12 TYR HA H 1 4.77 0.0300 . 1 . . . . 135 TYR HA . 17200 1 116 . 1 1 12 12 TYR HB2 H 1 2.61 0.0300 . 2 . . . . 135 TYR HB2 . 17200 1 117 . 1 1 12 12 TYR HB3 H 1 2.26 0.0300 . 2 . . . . 135 TYR HB3 . 17200 1 118 . 1 1 12 12 TYR HD1 H 1 6.67 0.0300 . 1 . . . . 135 TYR HD1 . 17200 1 119 . 1 1 12 12 TYR HD2 H 1 6.67 0.0300 . 1 . . . . 135 TYR HD2 . 17200 1 120 . 1 1 12 12 TYR HE1 H 1 6.68 0.0300 . 1 . . . . 135 TYR HE1 . 17200 1 121 . 1 1 12 12 TYR HE2 H 1 6.68 0.0300 . 1 . . . . 135 TYR HE2 . 17200 1 122 . 1 1 12 12 TYR C C 13 174.48 0.4000 . 1 . . . . 135 TYR C . 17200 1 123 . 1 1 12 12 TYR CA C 13 56.50 0.4000 . 1 . . . . 135 TYR CA . 17200 1 124 . 1 1 12 12 TYR CB C 13 38.74 0.4000 . 1 . . . . 135 TYR CB . 17200 1 125 . 1 1 12 12 TYR CD1 C 13 132.85 0.4000 . 1 . . . . 135 TYR CD1 . 17200 1 126 . 1 1 12 12 TYR CE1 C 13 118.00 0.4000 . 1 . . . . 135 TYR CE1 . 17200 1 127 . 1 1 12 12 TYR N N 15 117.83 0.4000 . 1 . . . . 135 TYR N . 17200 1 128 . 1 1 13 13 LYS H H 1 8.63 0.0300 . 1 . . . . 136 LYS H . 17200 1 129 . 1 1 13 13 LYS HA H 1 4.59 0.0300 . 1 . . . . 136 LYS HA . 17200 1 130 . 1 1 13 13 LYS HB2 H 1 1.94 0.0300 . 1 . . . . 136 LYS HB2 . 17200 1 131 . 1 1 13 13 LYS HB3 H 1 1.94 0.0300 . 1 . . . . 136 LYS HB3 . 17200 1 132 . 1 1 13 13 LYS HD2 H 1 1.63 0.0300 . 1 . . . . 136 LYS HD2 . 17200 1 133 . 1 1 13 13 LYS HD3 H 1 1.63 0.0300 . 1 . . . . 136 LYS HD3 . 17200 1 134 . 1 1 13 13 LYS HE2 H 1 3.00 0.0300 . 2 . . . . 136 LYS HE2 . 17200 1 135 . 1 1 13 13 LYS HE3 H 1 2.96 0.0300 . 2 . . . . 136 LYS HE3 . 17200 1 136 . 1 1 13 13 LYS HG2 H 1 1.52 0.0300 . 2 . . . . 136 LYS HG2 . 17200 1 137 . 1 1 13 13 LYS HG3 H 1 1.47 0.0300 . 2 . . . . 136 LYS HG3 . 17200 1 138 . 1 1 13 13 LYS C C 13 176.55 0.4000 . 1 . . . . 136 LYS C . 17200 1 139 . 1 1 13 13 LYS CA C 13 53.91 0.4000 . 1 . . . . 136 LYS CA . 17200 1 140 . 1 1 13 13 LYS CB C 13 34.81 0.4000 . 1 . . . . 136 LYS CB . 17200 1 141 . 1 1 13 13 LYS CD C 13 28.51 0.4000 . 1 . . . . 136 LYS CD . 17200 1 142 . 1 1 13 13 LYS CE C 13 42.48 0.4000 . 1 . . . . 136 LYS CE . 17200 1 143 . 1 1 13 13 LYS CG C 13 24.90 0.4000 . 1 . . . . 136 LYS CG . 17200 1 144 . 1 1 13 13 LYS N N 15 119.69 0.4000 . 1 . . . . 136 LYS N . 17200 1 145 . 1 1 14 14 VAL H H 1 8.28 0.0300 . 1 . . . . 137 VAL H . 17200 1 146 . 1 1 14 14 VAL HA H 1 3.15 0.0300 . 1 . . . . 137 VAL HA . 17200 1 147 . 1 1 14 14 VAL HB H 1 1.88 0.0300 . 1 . . . . 137 VAL HB . 17200 1 148 . 1 1 14 14 VAL HG11 H 1 0.89 0.0300 . 2 . . . . 137 VAL HG1 . 17200 1 149 . 1 1 14 14 VAL HG12 H 1 0.89 0.0300 . 2 . . . . 137 VAL HG1 . 17200 1 150 . 1 1 14 14 VAL HG13 H 1 0.89 0.0300 . 2 . . . . 137 VAL HG1 . 17200 1 151 . 1 1 14 14 VAL HG21 H 1 1.01 0.0300 . 2 . . . . 137 VAL HG2 . 17200 1 152 . 1 1 14 14 VAL HG22 H 1 1.01 0.0300 . 2 . . . . 137 VAL HG2 . 17200 1 153 . 1 1 14 14 VAL HG23 H 1 1.01 0.0300 . 2 . . . . 137 VAL HG2 . 17200 1 154 . 1 1 14 14 VAL C C 13 176.87 0.4000 . 1 . . . . 137 VAL C . 17200 1 155 . 1 1 14 14 VAL CA C 13 66.34 0.4000 . 1 . . . . 137 VAL CA . 17200 1 156 . 1 1 14 14 VAL CB C 13 31.13 0.4000 . 1 . . . . 137 VAL CB . 17200 1 157 . 1 1 14 14 VAL CG1 C 13 21.28 0.4000 . 1 . . . . 137 VAL CG1 . 17200 1 158 . 1 1 14 14 VAL CG2 C 13 23.37 0.4000 . 1 . . . . 137 VAL CG2 . 17200 1 159 . 1 1 14 14 VAL N N 15 118.79 0.4000 . 1 . . . . 137 VAL N . 17200 1 160 . 1 1 15 15 ASN H H 1 8.69 0.0300 . 1 . . . . 138 ASN H . 17200 1 161 . 1 1 15 15 ASN HA H 1 4.24 0.0300 . 1 . . . . 138 ASN HA . 17200 1 162 . 1 1 15 15 ASN HB2 H 1 3.38 0.0300 . 2 . . . . 138 ASN HB2 . 17200 1 163 . 1 1 15 15 ASN HB3 H 1 2.85 0.0300 . 2 . . . . 138 ASN HB3 . 17200 1 164 . 1 1 15 15 ASN HD21 H 1 6.89 0.0300 . 2 . . . . 138 ASN HD21 . 17200 1 165 . 1 1 15 15 ASN HD22 H 1 7.54 0.0300 . 2 . . . . 138 ASN HD22 . 17200 1 166 . 1 1 15 15 ASN C C 13 174.98 0.4000 . 1 . . . . 138 ASN C . 17200 1 167 . 1 1 15 15 ASN CA C 13 55.71 0.4000 . 1 . . . . 138 ASN CA . 17200 1 168 . 1 1 15 15 ASN CB C 13 37.11 0.4000 . 1 . . . . 138 ASN CB . 17200 1 169 . 1 1 15 15 ASN N N 15 118.60 0.4000 . 1 . . . . 138 ASN N . 17200 1 170 . 1 1 15 15 ASN ND2 N 15 112.82 0.4000 . 1 . . . . 138 ASN ND2 . 17200 1 171 . 1 1 16 16 GLU H H 1 8.46 0.0300 . 1 . . . . 139 GLU H . 17200 1 172 . 1 1 16 16 GLU HA H 1 4.06 0.0300 . 1 . . . . 139 GLU HA . 17200 1 173 . 1 1 16 16 GLU HB2 H 1 2.01 0.0300 . 2 . . . . 139 GLU HB2 . 17200 1 174 . 1 1 16 16 GLU HB3 H 1 2.27 0.0300 . 2 . . . . 139 GLU HB3 . 17200 1 175 . 1 1 16 16 GLU HG2 H 1 2.43 0.0300 . 2 . . . . 139 GLU HG2 . 17200 1 176 . 1 1 16 16 GLU HG3 H 1 2.25 0.0300 . 2 . . . . 139 GLU HG3 . 17200 1 177 . 1 1 16 16 GLU C C 13 175.89 0.4000 . 1 . . . . 139 GLU C . 17200 1 178 . 1 1 16 16 GLU CA C 13 58.07 0.4000 . 1 . . . . 139 GLU CA . 17200 1 179 . 1 1 16 16 GLU CB C 13 30.95 0.4000 . 1 . . . . 139 GLU CB . 17200 1 180 . 1 1 16 16 GLU CG C 13 36.98 0.4000 . 1 . . . . 139 GLU CG . 17200 1 181 . 1 1 16 16 GLU N N 15 123.59 0.4000 . 1 . . . . 139 GLU N . 17200 1 182 . 1 1 17 17 TYR H H 1 8.66 0.0300 . 1 . . . . 140 TYR H . 17200 1 183 . 1 1 17 17 TYR HA H 1 4.91 0.0300 . 1 . . . . 140 TYR HA . 17200 1 184 . 1 1 17 17 TYR HB2 H 1 2.94 0.0300 . 2 . . . . 140 TYR HB2 . 17200 1 185 . 1 1 17 17 TYR HB3 H 1 2.75 0.0300 . 2 . . . . 140 TYR HB3 . 17200 1 186 . 1 1 17 17 TYR HD1 H 1 7.29 0.0300 . 1 . . . . 140 TYR HD1 . 17200 1 187 . 1 1 17 17 TYR HD2 H 1 7.29 0.0300 . 1 . . . . 140 TYR HD2 . 17200 1 188 . 1 1 17 17 TYR HE1 H 1 6.82 0.0300 . 1 . . . . 140 TYR HE1 . 17200 1 189 . 1 1 17 17 TYR HE2 H 1 6.82 0.0300 . 1 . . . . 140 TYR HE2 . 17200 1 190 . 1 1 17 17 TYR C C 13 175.50 0.4000 . 1 . . . . 140 TYR C . 17200 1 191 . 1 1 17 17 TYR CA C 13 58.55 0.4000 . 1 . . . . 140 TYR CA . 17200 1 192 . 1 1 17 17 TYR CB C 13 37.30 0.4000 . 1 . . . . 140 TYR CB . 17200 1 193 . 1 1 17 17 TYR CD1 C 13 132.75 0.4000 . 1 . . . . 140 TYR CD1 . 17200 1 194 . 1 1 17 17 TYR CE1 C 13 118.18 0.4000 . 1 . . . . 140 TYR CE1 . 17200 1 195 . 1 1 17 17 TYR N N 15 124.29 0.4000 . 1 . . . . 140 TYR N . 17200 1 196 . 1 1 18 18 VAL H H 1 8.68 0.0300 . 1 . . . . 141 VAL H . 17200 1 197 . 1 1 18 18 VAL HA H 1 4.78 0.0300 . 1 . . . . 141 VAL HA . 17200 1 198 . 1 1 18 18 VAL HB H 1 2.26 0.0300 . 1 . . . . 141 VAL HB . 17200 1 199 . 1 1 18 18 VAL HG11 H 1 0.12 0.0300 . 2 . . . . 141 VAL HG1 . 17200 1 200 . 1 1 18 18 VAL HG12 H 1 0.12 0.0300 . 2 . . . . 141 VAL HG1 . 17200 1 201 . 1 1 18 18 VAL HG13 H 1 0.12 0.0300 . 2 . . . . 141 VAL HG1 . 17200 1 202 . 1 1 18 18 VAL HG21 H 1 0.31 0.0300 . 2 . . . . 141 VAL HG2 . 17200 1 203 . 1 1 18 18 VAL HG22 H 1 0.31 0.0300 . 2 . . . . 141 VAL HG2 . 17200 1 204 . 1 1 18 18 VAL HG23 H 1 0.31 0.0300 . 2 . . . . 141 VAL HG2 . 17200 1 205 . 1 1 18 18 VAL C C 13 176.31 0.4000 . 1 . . . . 141 VAL C . 17200 1 206 . 1 1 18 18 VAL CA C 13 59.66 0.4000 . 1 . . . . 141 VAL CA . 17200 1 207 . 1 1 18 18 VAL CB C 13 35.95 0.4000 . 1 . . . . 141 VAL CB . 17200 1 208 . 1 1 18 18 VAL CG1 C 13 21.26 0.4000 . 1 . . . . 141 VAL CG1 . 17200 1 209 . 1 1 18 18 VAL CG2 C 13 17.19 0.4000 . 1 . . . . 141 VAL CG2 . 17200 1 210 . 1 1 18 18 VAL N N 15 115.29 0.4000 . 1 . . . . 141 VAL N . 17200 1 211 . 1 1 19 19 ASP H H 1 9.04 0.0300 . 1 . . . . 142 ASP H . 17200 1 212 . 1 1 19 19 ASP HA H 1 5.59 0.0300 . 1 . . . . 142 ASP HA . 17200 1 213 . 1 1 19 19 ASP HB2 H 1 2.44 0.0300 . 2 . . . . 142 ASP HB2 . 17200 1 214 . 1 1 19 19 ASP HB3 H 1 2.16 0.0300 . 2 . . . . 142 ASP HB3 . 17200 1 215 . 1 1 19 19 ASP C C 13 173.70 0.4000 . 1 . . . . 142 ASP C . 17200 1 216 . 1 1 19 19 ASP CA C 13 55.05 0.4000 . 1 . . . . 142 ASP CA . 17200 1 217 . 1 1 19 19 ASP CB C 13 43.90 0.4000 . 1 . . . . 142 ASP CB . 17200 1 218 . 1 1 19 19 ASP N N 15 124.70 0.4000 . 1 . . . . 142 ASP N . 17200 1 219 . 1 1 20 20 ALA H H 1 9.72 0.0300 . 1 . . . . 143 ALA H . 17200 1 220 . 1 1 20 20 ALA HA H 1 5.74 0.0300 . 1 . . . . 143 ALA HA . 17200 1 221 . 1 1 20 20 ALA HB1 H 1 1.24 0.0300 . 1 . . . . 143 ALA HB . 17200 1 222 . 1 1 20 20 ALA HB2 H 1 1.24 0.0300 . 1 . . . . 143 ALA HB . 17200 1 223 . 1 1 20 20 ALA HB3 H 1 1.24 0.0300 . 1 . . . . 143 ALA HB . 17200 1 224 . 1 1 20 20 ALA C C 13 175.24 0.4000 . 1 . . . . 143 ALA C . 17200 1 225 . 1 1 20 20 ALA CA C 13 49.95 0.4000 . 1 . . . . 143 ALA CA . 17200 1 226 . 1 1 20 20 ALA CB C 13 22.05 0.4000 . 1 . . . . 143 ALA CB . 17200 1 227 . 1 1 20 20 ALA N N 15 124.48 0.4000 . 1 . . . . 143 ALA N . 17200 1 228 . 1 1 21 21 ARG H H 1 9.02 0.0300 . 1 . . . . 144 ARG H . 17200 1 229 . 1 1 21 21 ARG HA H 1 4.09 0.0300 . 1 . . . . 144 ARG HA . 17200 1 230 . 1 1 21 21 ARG HB2 H 1 0.95 0.0300 . 1 . . . . 144 ARG HB2 . 17200 1 231 . 1 1 21 21 ARG HB3 H 1 0.95 0.0300 . 1 . . . . 144 ARG HB3 . 17200 1 232 . 1 1 21 21 ARG HD2 H 1 2.85 0.0300 . 2 . . . . 144 ARG HD2 . 17200 1 233 . 1 1 21 21 ARG HD3 H 1 2.35 0.0300 . 2 . . . . 144 ARG HD3 . 17200 1 234 . 1 1 21 21 ARG HG2 H 1 0.05 0.0300 . 2 . . . . 144 ARG HG2 . 17200 1 235 . 1 1 21 21 ARG HG3 H 1 0.00 0.0300 . 2 . . . . 144 ARG HG3 . 17200 1 236 . 1 1 21 21 ARG C C 13 175.30 0.4000 . 1 . . . . 144 ARG C . 17200 1 237 . 1 1 21 21 ARG CA C 13 54.65 0.4000 . 1 . . . . 144 ARG CA . 17200 1 238 . 1 1 21 21 ARG CB C 13 29.89 0.4000 . 1 . . . . 144 ARG CB . 17200 1 239 . 1 1 21 21 ARG CD C 13 43.30 0.4000 . 1 . . . . 144 ARG CD . 17200 1 240 . 1 1 21 21 ARG CG C 13 25.35 0.4000 . 1 . . . . 144 ARG CG . 17200 1 241 . 1 1 21 21 ARG N N 15 128.42 0.4000 . 1 . . . . 144 ARG N . 17200 1 242 . 1 1 22 22 ASP H H 1 8.48 0.0300 . 1 . . . . 145 ASP H . 17200 1 243 . 1 1 22 22 ASP HA H 1 4.53 0.0300 . 1 . . . . 145 ASP HA . 17200 1 244 . 1 1 22 22 ASP HB2 H 1 2.70 0.0300 . 2 . . . . 145 ASP HB2 . 17200 1 245 . 1 1 22 22 ASP HB3 H 1 2.39 0.0300 . 2 . . . . 145 ASP HB3 . 17200 1 246 . 1 1 22 22 ASP C C 13 177.65 0.4000 . 1 . . . . 145 ASP C . 17200 1 247 . 1 1 22 22 ASP CA C 13 53.53 0.4000 . 1 . . . . 145 ASP CA . 17200 1 248 . 1 1 22 22 ASP CB C 13 43.42 0.4000 . 1 . . . . 145 ASP CB . 17200 1 249 . 1 1 22 22 ASP N N 15 125.85 0.4000 . 1 . . . . 145 ASP N . 17200 1 250 . 1 1 23 23 THR H H 1 8.45 0.0300 . 1 . . . . 146 THR H . 17200 1 251 . 1 1 23 23 THR HA H 1 3.82 0.0300 . 1 . . . . 146 THR HA . 17200 1 252 . 1 1 23 23 THR HB H 1 4.22 0.0300 . 1 . . . . 146 THR HB . 17200 1 253 . 1 1 23 23 THR HG21 H 1 1.24 0.0300 . 1 . . . . 146 THR HG2 . 17200 1 254 . 1 1 23 23 THR HG22 H 1 1.24 0.0300 . 1 . . . . 146 THR HG2 . 17200 1 255 . 1 1 23 23 THR HG23 H 1 1.24 0.0300 . 1 . . . . 146 THR HG2 . 17200 1 256 . 1 1 23 23 THR C C 13 175.61 0.4000 . 1 . . . . 146 THR C . 17200 1 257 . 1 1 23 23 THR CA C 13 64.90 0.4000 . 1 . . . . 146 THR CA . 17200 1 258 . 1 1 23 23 THR CB C 13 68.65 0.4000 . 1 . . . . 146 THR CB . 17200 1 259 . 1 1 23 23 THR CG2 C 13 21.90 0.4000 . 1 . . . . 146 THR CG2 . 17200 1 260 . 1 1 23 23 THR N N 15 121.34 0.4000 . 1 . . . . 146 THR N . 17200 1 261 . 1 1 24 24 ASN H H 1 8.15 0.0300 . 1 . . . . 147 ASN H . 17200 1 262 . 1 1 24 24 ASN HA H 1 4.56 0.0300 . 1 . . . . 147 ASN HA . 17200 1 263 . 1 1 24 24 ASN HB2 H 1 2.91 0.0300 . 2 . . . . 147 ASN HB2 . 17200 1 264 . 1 1 24 24 ASN HB3 H 1 2.78 0.0300 . 2 . . . . 147 ASN HB3 . 17200 1 265 . 1 1 24 24 ASN HD21 H 1 6.95 0.0300 . 2 . . . . 147 ASN HD21 . 17200 1 266 . 1 1 24 24 ASN HD22 H 1 7.86 0.0300 . 2 . . . . 147 ASN HD22 . 17200 1 267 . 1 1 24 24 ASN C C 13 176.69 0.4000 . 1 . . . . 147 ASN C . 17200 1 268 . 1 1 24 24 ASN CA C 13 55.77 0.4000 . 1 . . . . 147 ASN CA . 17200 1 269 . 1 1 24 24 ASN CB C 13 38.73 0.4000 . 1 . . . . 147 ASN CB . 17200 1 270 . 1 1 24 24 ASN N N 15 119.28 0.4000 . 1 . . . . 147 ASN N . 17200 1 271 . 1 1 24 24 ASN ND2 N 15 114.49 0.4000 . 1 . . . . 147 ASN ND2 . 17200 1 272 . 1 1 25 25 MET H H 1 8.54 0.0300 . 1 . . . . 148 MET H . 17200 1 273 . 1 1 25 25 MET HA H 1 4.33 0.0300 . 1 . . . . 148 MET HA . 17200 1 274 . 1 1 25 25 MET HB2 H 1 1.90 0.0300 . 1 . . . . 148 MET HB2 . 17200 1 275 . 1 1 25 25 MET HB3 H 1 1.90 0.0300 . 1 . . . . 148 MET HB3 . 17200 1 276 . 1 1 25 25 MET HE1 H 1 1.26 0.0300 . 1 . . . . 148 MET HE . 17200 1 277 . 1 1 25 25 MET HE2 H 1 1.26 0.0300 . 1 . . . . 148 MET HE . 17200 1 278 . 1 1 25 25 MET HE3 H 1 1.26 0.0300 . 1 . . . . 148 MET HE . 17200 1 279 . 1 1 25 25 MET HG2 H 1 2.56 0.0300 . 2 . . . . 148 MET HG2 . 17200 1 280 . 1 1 25 25 MET HG3 H 1 2.45 0.0300 . 2 . . . . 148 MET HG3 . 17200 1 281 . 1 1 25 25 MET C C 13 177.22 0.4000 . 1 . . . . 148 MET C . 17200 1 282 . 1 1 25 25 MET CA C 13 57.65 0.4000 . 1 . . . . 148 MET CA . 17200 1 283 . 1 1 25 25 MET CB C 13 36.98 0.4000 . 1 . . . . 148 MET CB . 17200 1 284 . 1 1 25 25 MET CE C 13 15.87 0.4000 . 1 . . . . 148 MET CE . 17200 1 285 . 1 1 25 25 MET CG C 13 32.48 0.4000 . 1 . . . . 148 MET CG . 17200 1 286 . 1 1 25 25 MET N N 15 115.69 0.4000 . 1 . . . . 148 MET N . 17200 1 287 . 1 1 26 26 GLY H H 1 8.64 0.0300 . 1 . . . . 149 GLY H . 17200 1 288 . 1 1 26 26 GLY HA2 H 1 4.15 0.0300 . 2 . . . . 149 GLY HA2 . 17200 1 289 . 1 1 26 26 GLY HA3 H 1 3.50 0.0300 . 2 . . . . 149 GLY HA3 . 17200 1 290 . 1 1 26 26 GLY C C 13 170.99 0.4000 . 1 . . . . 149 GLY C . 17200 1 291 . 1 1 26 26 GLY CA C 13 45.26 0.4000 . 1 . . . . 149 GLY CA . 17200 1 292 . 1 1 26 26 GLY N N 15 105.65 0.4000 . 1 . . . . 149 GLY N . 17200 1 293 . 1 1 27 27 ALA H H 1 6.18 0.0300 . 1 . . . . 150 ALA H . 17200 1 294 . 1 1 27 27 ALA HA H 1 4.71 0.0300 . 1 . . . . 150 ALA HA . 17200 1 295 . 1 1 27 27 ALA HB1 H 1 0.81 0.0300 . 1 . . . . 150 ALA HB . 17200 1 296 . 1 1 27 27 ALA HB2 H 1 0.81 0.0300 . 1 . . . . 150 ALA HB . 17200 1 297 . 1 1 27 27 ALA HB3 H 1 0.81 0.0300 . 1 . . . . 150 ALA HB . 17200 1 298 . 1 1 27 27 ALA C C 13 175.09 0.4000 . 1 . . . . 150 ALA C . 17200 1 299 . 1 1 27 27 ALA CA C 13 49.67 0.4000 . 1 . . . . 150 ALA CA . 17200 1 300 . 1 1 27 27 ALA CB C 13 22.07 0.4000 . 1 . . . . 150 ALA CB . 17200 1 301 . 1 1 27 27 ALA N N 15 119.29 0.4000 . 1 . . . . 150 ALA N . 17200 1 302 . 1 1 28 28 TRP H H 1 9.07 0.0300 . 1 . . . . 151 TRP H . 17200 1 303 . 1 1 28 28 TRP HA H 1 4.67 0.0300 . 1 . . . . 151 TRP HA . 17200 1 304 . 1 1 28 28 TRP HB2 H 1 3.14 0.0300 . 2 . . . . 151 TRP HB2 . 17200 1 305 . 1 1 28 28 TRP HB3 H 1 3.08 0.0300 . 2 . . . . 151 TRP HB3 . 17200 1 306 . 1 1 28 28 TRP HD1 H 1 7.11 0.0300 . 1 . . . . 151 TRP HD1 . 17200 1 307 . 1 1 28 28 TRP HE1 H 1 9.52 0.0300 . 1 . . . . 151 TRP HE1 . 17200 1 308 . 1 1 28 28 TRP HH2 H 1 7.03 0.0300 . 1 . . . . 151 TRP HH2 . 17200 1 309 . 1 1 28 28 TRP HZ2 H 1 7.37 0.0300 . 1 . . . . 151 TRP HZ2 . 17200 1 310 . 1 1 28 28 TRP CA C 13 56.30 0.4000 . 1 . . . . 151 TRP CA . 17200 1 311 . 1 1 28 28 TRP CB C 13 30.60 0.4000 . 1 . . . . 151 TRP CB . 17200 1 312 . 1 1 28 28 TRP CD1 C 13 127.67 0.4000 . 1 . . . . 151 TRP CD1 . 17200 1 313 . 1 1 28 28 TRP CZ2 C 13 115.34 0.4000 . 1 . . . . 151 TRP CZ2 . 17200 1 314 . 1 1 28 28 TRP N N 15 119.95 0.4000 . 1 . . . . 151 TRP N . 17200 1 315 . 1 1 28 28 TRP NE1 N 15 128.43 0.4000 . 1 . . . . 151 TRP NE1 . 17200 1 316 . 1 1 29 29 PHE H H 1 10.13 0.0300 . 1 . . . . 152 PHE H . 17200 1 317 . 1 1 29 29 PHE HD1 H 1 7.61 0.0300 . 1 . . . . 152 PHE HD1 . 17200 1 318 . 1 1 29 29 PHE HD2 H 1 7.61 0.0300 . 1 . . . . 152 PHE HD2 . 17200 1 319 . 1 1 29 29 PHE HE1 H 1 7.42 0.0300 . 1 . . . . 152 PHE HE1 . 17200 1 320 . 1 1 29 29 PHE HE2 H 1 7.42 0.0300 . 1 . . . . 152 PHE HE2 . 17200 1 321 . 1 1 29 29 PHE HZ H 1 6.74 0.0300 . 1 . . . . 152 PHE HZ . 17200 1 322 . 1 1 29 29 PHE CD1 C 13 133.31 0.4000 . 1 . . . . 152 PHE CD1 . 17200 1 323 . 1 1 29 29 PHE CE1 C 13 131.84 0.4000 . 1 . . . . 152 PHE CE1 . 17200 1 324 . 1 1 29 29 PHE CZ C 13 129.64 0.4000 . 1 . . . . 152 PHE CZ . 17200 1 325 . 1 1 29 29 PHE N N 15 123.72 0.4000 . 1 . . . . 152 PHE N . 17200 1 326 . 1 1 31 31 ALA H H 1 8.98 0.0300 . 1 . . . . 154 ALA H . 17200 1 327 . 1 1 31 31 ALA HA H 1 5.31 0.0300 . 1 . . . . 154 ALA HA . 17200 1 328 . 1 1 31 31 ALA HB1 H 1 1.05 0.0300 . 1 . . . . 154 ALA HB . 17200 1 329 . 1 1 31 31 ALA HB2 H 1 1.05 0.0300 . 1 . . . . 154 ALA HB . 17200 1 330 . 1 1 31 31 ALA HB3 H 1 1.05 0.0300 . 1 . . . . 154 ALA HB . 17200 1 331 . 1 1 31 31 ALA C C 13 175.42 0.4000 . 1 . . . . 154 ALA C . 17200 1 332 . 1 1 31 31 ALA CA C 13 51.75 0.4000 . 1 . . . . 154 ALA CA . 17200 1 333 . 1 1 31 31 ALA CB C 13 24.35 0.4000 . 1 . . . . 154 ALA CB . 17200 1 334 . 1 1 31 31 ALA N N 15 127.65 0.4000 . 1 . . . . 154 ALA N . 17200 1 335 . 1 1 32 32 GLN H H 1 8.68 0.0300 . 1 . . . . 155 GLN H . 17200 1 336 . 1 1 32 32 GLN HA H 1 5.11 0.0300 . 1 . . . . 155 GLN HA . 17200 1 337 . 1 1 32 32 GLN HB2 H 1 1.84 0.0300 . 1 . . . . 155 GLN HB2 . 17200 1 338 . 1 1 32 32 GLN HB3 H 1 1.84 0.0300 . 1 . . . . 155 GLN HB3 . 17200 1 339 . 1 1 32 32 GLN HE21 H 1 6.65 0.0300 . 2 . . . . 155 GLN HE21 . 17200 1 340 . 1 1 32 32 GLN HE22 H 1 7.04 0.0300 . 2 . . . . 155 GLN HE22 . 17200 1 341 . 1 1 32 32 GLN C C 13 175.12 0.4000 . 1 . . . . 155 GLN C . 17200 1 342 . 1 1 32 32 GLN CA C 13 54.31 0.4000 . 1 . . . . 155 GLN CA . 17200 1 343 . 1 1 32 32 GLN CB C 13 32.83 0.4000 . 1 . . . . 155 GLN CB . 17200 1 344 . 1 1 32 32 GLN N N 15 120.09 0.4000 . 1 . . . . 155 GLN N . 17200 1 345 . 1 1 32 32 GLN NE2 N 15 110.95 0.4000 . 1 . . . . 155 GLN NE2 . 17200 1 346 . 1 1 33 33 VAL H H 1 8.39 0.0300 . 1 . . . . 156 VAL H . 17200 1 347 . 1 1 33 33 VAL HA H 1 3.95 0.0300 . 1 . . . . 156 VAL HA . 17200 1 348 . 1 1 33 33 VAL HB H 1 2.38 0.0300 . 1 . . . . 156 VAL HB . 17200 1 349 . 1 1 33 33 VAL HG11 H 1 0.92 0.0300 . 2 . . . . 156 VAL HG1 . 17200 1 350 . 1 1 33 33 VAL HG12 H 1 0.92 0.0300 . 2 . . . . 156 VAL HG1 . 17200 1 351 . 1 1 33 33 VAL HG13 H 1 0.92 0.0300 . 2 . . . . 156 VAL HG1 . 17200 1 352 . 1 1 33 33 VAL HG21 H 1 0.72 0.0300 . 2 . . . . 156 VAL HG2 . 17200 1 353 . 1 1 33 33 VAL HG22 H 1 0.72 0.0300 . 2 . . . . 156 VAL HG2 . 17200 1 354 . 1 1 33 33 VAL HG23 H 1 0.72 0.0300 . 2 . . . . 156 VAL HG2 . 17200 1 355 . 1 1 33 33 VAL C C 13 176.66 0.4000 . 1 . . . . 156 VAL C . 17200 1 356 . 1 1 33 33 VAL CA C 13 64.11 0.4000 . 1 . . . . 156 VAL CA . 17200 1 357 . 1 1 33 33 VAL CB C 13 31.91 0.4000 . 1 . . . . 156 VAL CB . 17200 1 358 . 1 1 33 33 VAL CG1 C 13 23.12 0.4000 . 1 . . . . 156 VAL CG1 . 17200 1 359 . 1 1 33 33 VAL CG2 C 13 22.32 0.4000 . 1 . . . . 156 VAL CG2 . 17200 1 360 . 1 1 33 33 VAL N N 15 125.30 0.4000 . 1 . . . . 156 VAL N . 17200 1 361 . 1 1 34 34 VAL H H 1 9.74 0.0300 . 1 . . . . 157 VAL H . 17200 1 362 . 1 1 34 34 VAL HA H 1 4.49 0.0300 . 1 . . . . 157 VAL HA . 17200 1 363 . 1 1 34 34 VAL HB H 1 2.09 0.0300 . 1 . . . . 157 VAL HB . 17200 1 364 . 1 1 34 34 VAL HG11 H 1 0.90 0.0300 . 2 . . . . 157 VAL HG1 . 17200 1 365 . 1 1 34 34 VAL HG12 H 1 0.90 0.0300 . 2 . . . . 157 VAL HG1 . 17200 1 366 . 1 1 34 34 VAL HG13 H 1 0.90 0.0300 . 2 . . . . 157 VAL HG1 . 17200 1 367 . 1 1 34 34 VAL HG21 H 1 0.84 0.0300 . 2 . . . . 157 VAL HG2 . 17200 1 368 . 1 1 34 34 VAL HG22 H 1 0.84 0.0300 . 2 . . . . 157 VAL HG2 . 17200 1 369 . 1 1 34 34 VAL HG23 H 1 0.84 0.0300 . 2 . . . . 157 VAL HG2 . 17200 1 370 . 1 1 34 34 VAL C C 13 175.29 0.4000 . 1 . . . . 157 VAL C . 17200 1 371 . 1 1 34 34 VAL CA C 13 62.37 0.4000 . 1 . . . . 157 VAL CA . 17200 1 372 . 1 1 34 34 VAL CB C 13 33.26 0.4000 . 1 . . . . 157 VAL CB . 17200 1 373 . 1 1 34 34 VAL CG1 C 13 21.15 0.4000 . 1 . . . . 157 VAL CG1 . 17200 1 374 . 1 1 34 34 VAL CG2 C 13 20.75 0.4000 . 1 . . . . 157 VAL CG2 . 17200 1 375 . 1 1 34 34 VAL N N 15 125.72 0.4000 . 1 . . . . 157 VAL N . 17200 1 376 . 1 1 35 35 ARG H H 1 8.04 0.0300 . 1 . . . . 158 ARG H . 17200 1 377 . 1 1 35 35 ARG HA H 1 4.42 0.0300 . 1 . . . . 158 ARG HA . 17200 1 378 . 1 1 35 35 ARG HB2 H 1 1.64 0.0300 . 2 . . . . 158 ARG HB2 . 17200 1 379 . 1 1 35 35 ARG HB3 H 1 1.39 0.0300 . 2 . . . . 158 ARG HB3 . 17200 1 380 . 1 1 35 35 ARG HD2 H 1 2.64 0.0300 . 2 . . . . 158 ARG HD2 . 17200 1 381 . 1 1 35 35 ARG HD3 H 1 2.56 0.0300 . 2 . . . . 158 ARG HD3 . 17200 1 382 . 1 1 35 35 ARG HG2 H 1 1.23 0.0300 . 1 . . . . 158 ARG HG2 . 17200 1 383 . 1 1 35 35 ARG HG3 H 1 1.23 0.0300 . 1 . . . . 158 ARG HG3 . 17200 1 384 . 1 1 35 35 ARG C C 13 172.42 0.4000 . 1 . . . . 158 ARG C . 17200 1 385 . 1 1 35 35 ARG CA C 13 56.18 0.4000 . 1 . . . . 158 ARG CA . 17200 1 386 . 1 1 35 35 ARG CB C 13 33.61 0.4000 . 1 . . . . 158 ARG CB . 17200 1 387 . 1 1 35 35 ARG CD C 13 43.38 0.4000 . 1 . . . . 158 ARG CD . 17200 1 388 . 1 1 35 35 ARG CG C 13 27.45 0.4000 . 1 . . . . 158 ARG CG . 17200 1 389 . 1 1 35 35 ARG N N 15 119.41 0.4000 . 1 . . . . 158 ARG N . 17200 1 390 . 1 1 36 36 VAL H H 1 8.64 0.0300 . 1 . . . . 159 VAL H . 17200 1 391 . 1 1 36 36 VAL HA H 1 4.81 0.0300 . 1 . . . . 159 VAL HA . 17200 1 392 . 1 1 36 36 VAL HB H 1 2.02 0.0300 . 1 . . . . 159 VAL HB . 17200 1 393 . 1 1 36 36 VAL HG11 H 1 1.05 0.0300 . 2 . . . . 159 VAL HG1 . 17200 1 394 . 1 1 36 36 VAL HG12 H 1 1.05 0.0300 . 2 . . . . 159 VAL HG1 . 17200 1 395 . 1 1 36 36 VAL HG13 H 1 1.05 0.0300 . 2 . . . . 159 VAL HG1 . 17200 1 396 . 1 1 36 36 VAL HG21 H 1 0.71 0.0300 . 2 . . . . 159 VAL HG2 . 17200 1 397 . 1 1 36 36 VAL HG22 H 1 0.71 0.0300 . 2 . . . . 159 VAL HG2 . 17200 1 398 . 1 1 36 36 VAL HG23 H 1 0.71 0.0300 . 2 . . . . 159 VAL HG2 . 17200 1 399 . 1 1 36 36 VAL C C 13 175.47 0.4000 . 1 . . . . 159 VAL C . 17200 1 400 . 1 1 36 36 VAL CA C 13 62.08 0.4000 . 1 . . . . 159 VAL CA . 17200 1 401 . 1 1 36 36 VAL CB C 13 34.36 0.4000 . 1 . . . . 159 VAL CB . 17200 1 402 . 1 1 36 36 VAL CG1 C 13 21.28 0.4000 . 1 . . . . 159 VAL CG1 . 17200 1 403 . 1 1 36 36 VAL CG2 C 13 21.93 0.4000 . 1 . . . . 159 VAL CG2 . 17200 1 404 . 1 1 36 36 VAL N N 15 125.08 0.4000 . 1 . . . . 159 VAL N . 17200 1 405 . 1 1 37 37 THR H H 1 8.97 0.0300 . 1 . . . . 160 THR H . 17200 1 406 . 1 1 37 37 THR HA H 1 4.84 0.0300 . 1 . . . . 160 THR HA . 17200 1 407 . 1 1 37 37 THR HB H 1 4.30 0.0300 . 1 . . . . 160 THR HB . 17200 1 408 . 1 1 37 37 THR HG21 H 1 0.97 0.0300 . 1 . . . . 160 THR HG2 . 17200 1 409 . 1 1 37 37 THR HG22 H 1 0.97 0.0300 . 1 . . . . 160 THR HG2 . 17200 1 410 . 1 1 37 37 THR HG23 H 1 0.97 0.0300 . 1 . . . . 160 THR HG2 . 17200 1 411 . 1 1 37 37 THR C C 13 172.61 0.4000 . 1 . . . . 160 THR C . 17200 1 412 . 1 1 37 37 THR CA C 13 59.72 0.4000 . 1 . . . . 160 THR CA . 17200 1 413 . 1 1 37 37 THR CB C 13 71.95 0.4000 . 1 . . . . 160 THR CB . 17200 1 414 . 1 1 37 37 THR CG2 C 13 21.75 0.4000 . 1 . . . . 160 THR CG2 . 17200 1 415 . 1 1 37 37 THR N N 15 117.62 0.4000 . 1 . . . . 160 THR N . 17200 1 416 . 1 1 38 38 ARG H H 1 8.50 0.0300 . 1 . . . . 161 ARG H . 17200 1 417 . 1 1 38 38 ARG HA H 1 4.83 0.0300 . 1 . . . . 161 ARG HA . 17200 1 418 . 1 1 38 38 ARG HB2 H 1 1.79 0.0300 . 2 . . . . 161 ARG HB2 . 17200 1 419 . 1 1 38 38 ARG HB3 H 1 1.64 0.0300 . 2 . . . . 161 ARG HB3 . 17200 1 420 . 1 1 38 38 ARG HD2 H 1 3.10 0.0300 . 1 . . . . 161 ARG HD2 . 17200 1 421 . 1 1 38 38 ARG HD3 H 1 3.10 0.0300 . 1 . . . . 161 ARG HD3 . 17200 1 422 . 1 1 38 38 ARG HG2 H 1 1.55 0.0300 . 1 . . . . 161 ARG HG2 . 17200 1 423 . 1 1 38 38 ARG HG3 H 1 1.55 0.0300 . 1 . . . . 161 ARG HG3 . 17200 1 424 . 1 1 38 38 ARG C C 13 176.28 0.4000 . 1 . . . . 161 ARG C . 17200 1 425 . 1 1 38 38 ARG CA C 13 55.08 0.4000 . 1 . . . . 161 ARG CA . 17200 1 426 . 1 1 38 38 ARG CB C 13 32.43 0.4000 . 1 . . . . 161 ARG CB . 17200 1 427 . 1 1 38 38 ARG CD C 13 43.45 0.4000 . 1 . . . . 161 ARG CD . 17200 1 428 . 1 1 38 38 ARG CG C 13 27.33 0.4000 . 1 . . . . 161 ARG CG . 17200 1 429 . 1 1 38 38 ARG N N 15 119.36 0.4000 . 1 . . . . 161 ARG N . 17200 1 430 . 1 1 39 39 LYS H H 1 8.61 0.0300 . 1 . . . . 162 LYS H . 17200 1 431 . 1 1 39 39 LYS HA H 1 4.20 0.0300 . 1 . . . . 162 LYS HA . 17200 1 432 . 1 1 39 39 LYS HB2 H 1 1.74 0.0300 . 1 . . . . 162 LYS HB2 . 17200 1 433 . 1 1 39 39 LYS HB3 H 1 1.74 0.0300 . 1 . . . . 162 LYS HB3 . 17200 1 434 . 1 1 39 39 LYS HD2 H 1 1.75 0.0300 . 1 . . . . 162 LYS HD2 . 17200 1 435 . 1 1 39 39 LYS HD3 H 1 1.75 0.0300 . 1 . . . . 162 LYS HD3 . 17200 1 436 . 1 1 39 39 LYS HE2 H 1 3.04 0.0300 . 1 . . . . 162 LYS HE2 . 17200 1 437 . 1 1 39 39 LYS HE3 H 1 3.04 0.0300 . 1 . . . . 162 LYS HE3 . 17200 1 438 . 1 1 39 39 LYS C C 13 175.46 0.4000 . 1 . . . . 162 LYS C . 17200 1 439 . 1 1 39 39 LYS CA C 13 56.57 0.4000 . 1 . . . . 162 LYS CA . 17200 1 440 . 1 1 39 39 LYS CB C 13 33.63 0.4000 . 1 . . . . 162 LYS CB . 17200 1 441 . 1 1 39 39 LYS CD C 13 29.37 0.4000 . 1 . . . . 162 LYS CD . 17200 1 442 . 1 1 39 39 LYS CE C 13 42.01 0.4000 . 1 . . . . 162 LYS CE . 17200 1 443 . 1 1 39 39 LYS N N 15 125.11 0.4000 . 1 . . . . 162 LYS N . 17200 1 444 . 1 1 40 40 ALA H H 1 8.43 0.0300 . 1 . . . . 163 ALA H . 17200 1 445 . 1 1 40 40 ALA HA H 1 4.55 0.0300 . 1 . . . . 163 ALA HA . 17200 1 446 . 1 1 40 40 ALA HB1 H 1 1.35 0.0300 . 1 . . . . 163 ALA HB . 17200 1 447 . 1 1 40 40 ALA HB2 H 1 1.35 0.0300 . 1 . . . . 163 ALA HB . 17200 1 448 . 1 1 40 40 ALA HB3 H 1 1.35 0.0300 . 1 . . . . 163 ALA HB . 17200 1 449 . 1 1 40 40 ALA CA C 13 50.47 0.4000 . 1 . . . . 163 ALA CA . 17200 1 450 . 1 1 40 40 ALA CB C 13 18.14 0.4000 . 1 . . . . 163 ALA CB . 17200 1 451 . 1 1 40 40 ALA N N 15 127.66 0.4000 . 1 . . . . 163 ALA N . 17200 1 452 . 1 1 41 41 PRO HA H 1 4.46 0.0300 . 1 . . . . 164 PRO HA . 17200 1 453 . 1 1 41 41 PRO HB2 H 1 2.30 0.0300 . 2 . . . . 164 PRO HB2 . 17200 1 454 . 1 1 41 41 PRO HB3 H 1 1.92 0.0300 . 2 . . . . 164 PRO HB3 . 17200 1 455 . 1 1 41 41 PRO HD2 H 1 3.79 0.0300 . 2 . . . . 164 PRO HD2 . 17200 1 456 . 1 1 41 41 PRO HD3 H 1 3.62 0.0300 . 2 . . . . 164 PRO HD3 . 17200 1 457 . 1 1 41 41 PRO HG2 H 1 2.05 0.0300 . 1 . . . . 164 PRO HG2 . 17200 1 458 . 1 1 41 41 PRO HG3 H 1 2.05 0.0300 . 1 . . . . 164 PRO HG3 . 17200 1 459 . 1 1 41 41 PRO C C 13 176.95 0.4000 . 1 . . . . 164 PRO C . 17200 1 460 . 1 1 41 41 PRO CA C 13 62.90 0.4000 . 1 . . . . 164 PRO CA . 17200 1 461 . 1 1 41 41 PRO CB C 13 32.31 0.4000 . 1 . . . . 164 PRO CB . 17200 1 462 . 1 1 41 41 PRO CD C 13 50.51 0.4000 . 1 . . . . 164 PRO CD . 17200 1 463 . 1 1 41 41 PRO CG C 13 27.43 0.4000 . 1 . . . . 164 PRO CG . 17200 1 464 . 1 1 42 42 SER H H 1 8.57 0.0300 . 1 . . . . 165 SER H . 17200 1 465 . 1 1 42 42 SER HA H 1 4.45 0.0300 . 1 . . . . 165 SER HA . 17200 1 466 . 1 1 42 42 SER HB2 H 1 3.94 0.0300 . 2 . . . . 165 SER HB2 . 17200 1 467 . 1 1 42 42 SER HB3 H 1 3.86 0.0300 . 2 . . . . 165 SER HB3 . 17200 1 468 . 1 1 42 42 SER C C 13 174.88 0.4000 . 1 . . . . 165 SER C . 17200 1 469 . 1 1 42 42 SER CA C 13 58.24 0.4000 . 1 . . . . 165 SER CA . 17200 1 470 . 1 1 42 42 SER CB C 13 63.98 0.4000 . 1 . . . . 165 SER CB . 17200 1 471 . 1 1 42 42 SER N N 15 116.61 0.4000 . 1 . . . . 165 SER N . 17200 1 472 . 1 1 43 43 ARG H H 1 8.44 0.0300 . 1 . . . . 166 ARG H . 17200 1 473 . 1 1 43 43 ARG HA H 1 4.34 0.0300 . 1 . . . . 166 ARG HA . 17200 1 474 . 1 1 43 43 ARG HB2 H 1 1.88 0.0300 . 2 . . . . 166 ARG HB2 . 17200 1 475 . 1 1 43 43 ARG HB3 H 1 1.79 0.0300 . 2 . . . . 166 ARG HB3 . 17200 1 476 . 1 1 43 43 ARG HD2 H 1 3.21 0.0300 . 1 . . . . 166 ARG HD2 . 17200 1 477 . 1 1 43 43 ARG HD3 H 1 3.21 0.0300 . 1 . . . . 166 ARG HD3 . 17200 1 478 . 1 1 43 43 ARG HG2 H 1 1.64 0.0300 . 1 . . . . 166 ARG HG2 . 17200 1 479 . 1 1 43 43 ARG HG3 H 1 1.64 0.0300 . 1 . . . . 166 ARG HG3 . 17200 1 480 . 1 1 43 43 ARG C C 13 175.88 0.4000 . 1 . . . . 166 ARG C . 17200 1 481 . 1 1 43 43 ARG CA C 13 56.39 0.4000 . 1 . . . . 166 ARG CA . 17200 1 482 . 1 1 43 43 ARG CB C 13 30.65 0.4000 . 1 . . . . 166 ARG CB . 17200 1 483 . 1 1 43 43 ARG CD C 13 43.51 0.4000 . 1 . . . . 166 ARG CD . 17200 1 484 . 1 1 43 43 ARG CG C 13 26.93 0.4000 . 1 . . . . 166 ARG CG . 17200 1 485 . 1 1 43 43 ARG N N 15 122.43 0.4000 . 1 . . . . 166 ARG N . 17200 1 486 . 1 1 44 44 ASP H H 1 8.32 0.0300 . 1 . . . . 167 ASP H . 17200 1 487 . 1 1 44 44 ASP HA H 1 4.63 0.0300 . 1 . . . . 167 ASP HA . 17200 1 488 . 1 1 44 44 ASP HB2 H 1 2.72 0.0300 . 2 . . . . 167 ASP HB2 . 17200 1 489 . 1 1 44 44 ASP HB3 H 1 2.55 0.0300 . 2 . . . . 167 ASP HB3 . 17200 1 490 . 1 1 44 44 ASP C C 13 175.56 0.4000 . 1 . . . . 167 ASP C . 17200 1 491 . 1 1 44 44 ASP CA C 13 54.32 0.4000 . 1 . . . . 167 ASP CA . 17200 1 492 . 1 1 44 44 ASP CB C 13 41.11 0.4000 . 1 . . . . 167 ASP CB . 17200 1 493 . 1 1 44 44 ASP N N 15 119.79 0.4000 . 1 . . . . 167 ASP N . 17200 1 494 . 1 1 45 45 GLU H H 1 7.95 0.0300 . 1 . . . . 168 GLU H . 17200 1 495 . 1 1 45 45 GLU N N 15 121.48 0.4000 . 1 . . . . 168 GLU N . 17200 1 496 . 1 1 46 46 PRO HA H 1 4.45 0.0300 . 1 . . . . 169 PRO HA . 17200 1 497 . 1 1 46 46 PRO HB2 H 1 2.32 0.0300 . 2 . . . . 169 PRO HB2 . 17200 1 498 . 1 1 46 46 PRO HB3 H 1 1.97 0.0300 . 2 . . . . 169 PRO HB3 . 17200 1 499 . 1 1 46 46 PRO HD2 H 1 3.72 0.0300 . 2 . . . . 169 PRO HD2 . 17200 1 500 . 1 1 46 46 PRO HD3 H 1 3.83 0.0300 . 2 . . . . 169 PRO HD3 . 17200 1 501 . 1 1 46 46 PRO HG2 H 1 2.10 0.0300 . 2 . . . . 169 PRO HG2 . 17200 1 502 . 1 1 46 46 PRO HG3 H 1 2.14 0.0300 . 2 . . . . 169 PRO HG3 . 17200 1 503 . 1 1 46 46 PRO C C 13 177.00 0.4000 . 1 . . . . 169 PRO C . 17200 1 504 . 1 1 46 46 PRO CA C 13 63.38 0.4000 . 1 . . . . 169 PRO CA . 17200 1 505 . 1 1 46 46 PRO CB C 13 32.04 0.4000 . 1 . . . . 169 PRO CB . 17200 1 506 . 1 1 46 46 PRO CD C 13 50.59 0.4000 . 1 . . . . 169 PRO CD . 17200 1 507 . 1 1 46 46 PRO CG C 13 27.78 0.4000 . 1 . . . . 169 PRO CG . 17200 1 508 . 1 1 47 47 CYS H H 1 8.53 0.0300 . 1 . . . . 170 CYS H . 17200 1 509 . 1 1 47 47 CYS HA H 1 4.52 0.0300 . 1 . . . . 170 CYS HA . 17200 1 510 . 1 1 47 47 CYS HB2 H 1 2.97 0.0300 . 1 . . . . 170 CYS HB2 . 17200 1 511 . 1 1 47 47 CYS HB3 H 1 2.97 0.0300 . 1 . . . . 170 CYS HB3 . 17200 1 512 . 1 1 47 47 CYS C C 13 174.75 0.4000 . 1 . . . . 170 CYS C . 17200 1 513 . 1 1 47 47 CYS CA C 13 58.55 0.4000 . 1 . . . . 170 CYS CA . 17200 1 514 . 1 1 47 47 CYS CB C 13 27.95 0.4000 . 1 . . . . 170 CYS CB . 17200 1 515 . 1 1 47 47 CYS N N 15 119.03 0.4000 . 1 . . . . 170 CYS N . 17200 1 516 . 1 1 48 48 SER H H 1 8.43 0.0300 . 1 . . . . 171 SER H . 17200 1 517 . 1 1 48 48 SER N N 15 117.94 0.4000 . 1 . . . . 171 SER N . 17200 1 518 . 1 1 49 49 SER HA H 1 4.52 0.0300 . 1 . . . . 172 SER HA . 17200 1 519 . 1 1 49 49 SER HB2 H 1 3.98 0.0300 . 2 . . . . 172 SER HB2 . 17200 1 520 . 1 1 49 49 SER HB3 H 1 3.88 0.0300 . 2 . . . . 172 SER HB3 . 17200 1 521 . 1 1 49 49 SER C C 13 174.92 0.4000 . 1 . . . . 172 SER C . 17200 1 522 . 1 1 49 49 SER CA C 13 58.77 0.4000 . 1 . . . . 172 SER CA . 17200 1 523 . 1 1 49 49 SER CB C 13 63.70 0.4000 . 1 . . . . 172 SER CB . 17200 1 524 . 1 1 50 50 THR H H 1 8.12 0.0300 . 1 . . . . 173 THR H . 17200 1 525 . 1 1 50 50 THR HA H 1 4.32 0.0300 . 1 . . . . 173 THR HA . 17200 1 526 . 1 1 50 50 THR HB H 1 4.31 0.0300 . 1 . . . . 173 THR HB . 17200 1 527 . 1 1 50 50 THR HG21 H 1 1.11 0.0300 . 1 . . . . 173 THR HG2 . 17200 1 528 . 1 1 50 50 THR HG22 H 1 1.11 0.0300 . 1 . . . . 173 THR HG2 . 17200 1 529 . 1 1 50 50 THR HG23 H 1 1.11 0.0300 . 1 . . . . 173 THR HG2 . 17200 1 530 . 1 1 50 50 THR C C 13 174.54 0.4000 . 1 . . . . 173 THR C . 17200 1 531 . 1 1 50 50 THR CA C 13 61.94 0.4000 . 1 . . . . 173 THR CA . 17200 1 532 . 1 1 50 50 THR CB C 13 69.56 0.4000 . 1 . . . . 173 THR CB . 17200 1 533 . 1 1 50 50 THR CG2 C 13 21.86 0.4000 . 1 . . . . 173 THR CG2 . 17200 1 534 . 1 1 50 50 THR N N 15 114.57 0.4000 . 1 . . . . 173 THR N . 17200 1 535 . 1 1 51 51 SER H H 1 8.18 0.0300 . 1 . . . . 174 SER H . 17200 1 536 . 1 1 51 51 SER HA H 1 4.44 0.0300 . 1 . . . . 174 SER HA . 17200 1 537 . 1 1 51 51 SER HB2 H 1 3.98 0.0300 . 2 . . . . 174 SER HB2 . 17200 1 538 . 1 1 51 51 SER HB3 H 1 3.88 0.0300 . 2 . . . . 174 SER HB3 . 17200 1 539 . 1 1 51 51 SER C C 13 173.83 0.4000 . 1 . . . . 174 SER C . 17200 1 540 . 1 1 51 51 SER CA C 13 58.19 0.4000 . 1 . . . . 174 SER CA . 17200 1 541 . 1 1 51 51 SER CB C 13 63.80 0.4000 . 1 . . . . 174 SER CB . 17200 1 542 . 1 1 51 51 SER N N 15 117.80 0.4000 . 1 . . . . 174 SER N . 17200 1 543 . 1 1 52 52 ARG H H 1 8.23 0.0300 . 1 . . . . 175 ARG H . 17200 1 544 . 1 1 52 52 ARG HA H 1 4.65 0.0300 . 1 . . . . 175 ARG HA . 17200 1 545 . 1 1 52 52 ARG HB2 H 1 1.87 0.0300 . 2 . . . . 175 ARG HB2 . 17200 1 546 . 1 1 52 52 ARG HB3 H 1 1.74 0.0300 . 2 . . . . 175 ARG HB3 . 17200 1 547 . 1 1 52 52 ARG HD2 H 1 3.22 0.0300 . 1 . . . . 175 ARG HD2 . 17200 1 548 . 1 1 52 52 ARG HD3 H 1 3.22 0.0300 . 1 . . . . 175 ARG HD3 . 17200 1 549 . 1 1 52 52 ARG HG2 H 1 1.66 0.0300 . 1 . . . . 175 ARG HG2 . 17200 1 550 . 1 1 52 52 ARG HG3 H 1 1.66 0.0300 . 1 . . . . 175 ARG HG3 . 17200 1 551 . 1 1 52 52 ARG CA C 13 54.36 0.4000 . 1 . . . . 175 ARG CA . 17200 1 552 . 1 1 52 52 ARG CB C 13 30.21 0.4000 . 1 . . . . 175 ARG CB . 17200 1 553 . 1 1 52 52 ARG CD C 13 43.44 0.4000 . 1 . . . . 175 ARG CD . 17200 1 554 . 1 1 52 52 ARG CG C 13 26.70 0.4000 . 1 . . . . 175 ARG CG . 17200 1 555 . 1 1 52 52 ARG N N 15 123.59 0.4000 . 1 . . . . 175 ARG N . 17200 1 556 . 1 1 53 53 PRO HA H 1 4.38 0.0300 . 1 . . . . 176 PRO HA . 17200 1 557 . 1 1 53 53 PRO HB2 H 1 2.29 0.0300 . 2 . . . . 176 PRO HB2 . 17200 1 558 . 1 1 53 53 PRO HB3 H 1 1.85 0.0300 . 2 . . . . 176 PRO HB3 . 17200 1 559 . 1 1 53 53 PRO HD2 H 1 3.78 0.0300 . 2 . . . . 176 PRO HD2 . 17200 1 560 . 1 1 53 53 PRO HD3 H 1 3.63 0.0300 . 2 . . . . 176 PRO HD3 . 17200 1 561 . 1 1 53 53 PRO HG2 H 1 2.02 0.0300 . 2 . . . . 176 PRO HG2 . 17200 1 562 . 1 1 53 53 PRO HG3 H 1 1.97 0.0300 . 2 . . . . 176 PRO HG3 . 17200 1 563 . 1 1 53 53 PRO C C 13 176.34 0.4000 . 1 . . . . 176 PRO C . 17200 1 564 . 1 1 53 53 PRO CA C 13 63.20 0.4000 . 1 . . . . 176 PRO CA . 17200 1 565 . 1 1 53 53 PRO CB C 13 32.07 0.4000 . 1 . . . . 176 PRO CB . 17200 1 566 . 1 1 53 53 PRO CD C 13 50.63 0.4000 . 1 . . . . 176 PRO CD . 17200 1 567 . 1 1 53 53 PRO CG C 13 27.45 0.4000 . 1 . . . . 176 PRO CG . 17200 1 568 . 1 1 54 54 ALA H H 1 8.33 0.0300 . 1 . . . . 177 ALA H . 17200 1 569 . 1 1 54 54 ALA HA H 1 4.30 0.0300 . 1 . . . . 177 ALA HA . 17200 1 570 . 1 1 54 54 ALA HB1 H 1 1.35 0.0300 . 1 . . . . 177 ALA HB . 17200 1 571 . 1 1 54 54 ALA HB2 H 1 1.35 0.0300 . 1 . . . . 177 ALA HB . 17200 1 572 . 1 1 54 54 ALA HB3 H 1 1.35 0.0300 . 1 . . . . 177 ALA HB . 17200 1 573 . 1 1 54 54 ALA C C 13 177.54 0.4000 . 1 . . . . 177 ALA C . 17200 1 574 . 1 1 54 54 ALA CA C 13 52.44 0.4000 . 1 . . . . 177 ALA CA . 17200 1 575 . 1 1 54 54 ALA CB C 13 19.11 0.4000 . 1 . . . . 177 ALA CB . 17200 1 576 . 1 1 54 54 ALA N N 15 124.26 0.4000 . 1 . . . . 177 ALA N . 17200 1 577 . 1 1 55 55 LEU H H 1 8.42 0.0300 . 1 . . . . 178 LEU H . 17200 1 578 . 1 1 55 55 LEU HA H 1 4.41 0.0300 . 1 . . . . 178 LEU HA . 17200 1 579 . 1 1 55 55 LEU HB2 H 1 1.67 0.0300 . 1 . . . . 178 LEU HB2 . 17200 1 580 . 1 1 55 55 LEU HB3 H 1 1.67 0.0300 . 1 . . . . 178 LEU HB3 . 17200 1 581 . 1 1 55 55 LEU HD11 H 1 0.93 0.0300 . 2 . . . . 178 LEU HD1 . 17200 1 582 . 1 1 55 55 LEU HD12 H 1 0.93 0.0300 . 2 . . . . 178 LEU HD1 . 17200 1 583 . 1 1 55 55 LEU HD13 H 1 0.93 0.0300 . 2 . . . . 178 LEU HD1 . 17200 1 584 . 1 1 55 55 LEU HD21 H 1 0.89 0.0300 . 2 . . . . 178 LEU HD2 . 17200 1 585 . 1 1 55 55 LEU HD22 H 1 0.89 0.0300 . 2 . . . . 178 LEU HD2 . 17200 1 586 . 1 1 55 55 LEU HD23 H 1 0.89 0.0300 . 2 . . . . 178 LEU HD2 . 17200 1 587 . 1 1 55 55 LEU HG H 1 1.66 0.0300 . 1 . . . . 178 LEU HG . 17200 1 588 . 1 1 55 55 LEU C C 13 177.92 0.4000 . 1 . . . . 178 LEU C . 17200 1 589 . 1 1 55 55 LEU CA C 13 55.07 0.4000 . 1 . . . . 178 LEU CA . 17200 1 590 . 1 1 55 55 LEU CB C 13 42.79 0.4000 . 1 . . . . 178 LEU CB . 17200 1 591 . 1 1 55 55 LEU CD1 C 13 25.19 0.4000 . 1 . . . . 178 LEU CD1 . 17200 1 592 . 1 1 55 55 LEU CD2 C 13 23.43 0.4000 . 1 . . . . 178 LEU CD2 . 17200 1 593 . 1 1 55 55 LEU CG C 13 26.66 0.4000 . 1 . . . . 178 LEU CG . 17200 1 594 . 1 1 55 55 LEU N N 15 122.16 0.4000 . 1 . . . . 178 LEU N . 17200 1 595 . 1 1 56 56 GLU H H 1 8.47 0.0300 . 1 . . . . 179 GLU H . 17200 1 596 . 1 1 56 56 GLU HA H 1 4.28 0.0300 . 1 . . . . 179 GLU HA . 17200 1 597 . 1 1 56 56 GLU HB2 H 1 1.99 0.0300 . 1 . . . . 179 GLU HB2 . 17200 1 598 . 1 1 56 56 GLU HB3 H 1 1.99 0.0300 . 1 . . . . 179 GLU HB3 . 17200 1 599 . 1 1 56 56 GLU HG2 H 1 2.21 0.0300 . 1 . . . . 179 GLU HG2 . 17200 1 600 . 1 1 56 56 GLU HG3 H 1 2.21 0.0300 . 1 . . . . 179 GLU HG3 . 17200 1 601 . 1 1 56 56 GLU C C 13 177.89 0.4000 . 1 . . . . 179 GLU C . 17200 1 602 . 1 1 56 56 GLU CA C 13 57.72 0.4000 . 1 . . . . 179 GLU CA . 17200 1 603 . 1 1 56 56 GLU CB C 13 29.52 0.4000 . 1 . . . . 179 GLU CB . 17200 1 604 . 1 1 56 56 GLU CG C 13 36.36 0.4000 . 1 . . . . 179 GLU CG . 17200 1 605 . 1 1 56 56 GLU N N 15 121.76 0.4000 . 1 . . . . 179 GLU N . 17200 1 606 . 1 1 57 57 GLU H H 1 8.47 0.0300 . 1 . . . . 180 GLU H . 17200 1 607 . 1 1 57 57 GLU HA H 1 4.28 0.0300 . 1 . . . . 180 GLU HA . 17200 1 608 . 1 1 57 57 GLU HB2 H 1 2.05 0.0300 . 2 . . . . 180 GLU HB2 . 17200 1 609 . 1 1 57 57 GLU HB3 H 1 1.91 0.0300 . 2 . . . . 180 GLU HB3 . 17200 1 610 . 1 1 57 57 GLU HG2 H 1 2.28 0.0300 . 1 . . . . 180 GLU HG2 . 17200 1 611 . 1 1 57 57 GLU HG3 H 1 2.28 0.0300 . 1 . . . . 180 GLU HG3 . 17200 1 612 . 1 1 57 57 GLU C C 13 176.24 0.4000 . 1 . . . . 180 GLU C . 17200 1 613 . 1 1 57 57 GLU CA C 13 57.62 0.4000 . 1 . . . . 180 GLU CA . 17200 1 614 . 1 1 57 57 GLU CB C 13 30.14 0.4000 . 1 . . . . 180 GLU CB . 17200 1 615 . 1 1 57 57 GLU CG C 13 36.41 0.4000 . 1 . . . . 180 GLU CG . 17200 1 616 . 1 1 57 57 GLU N N 15 118.89 0.4000 . 1 . . . . 180 GLU N . 17200 1 617 . 1 1 58 58 ASP H H 1 8.15 0.0300 . 1 . . . . 181 ASP H . 17200 1 618 . 1 1 58 58 ASP HA H 1 4.81 0.0300 . 1 . . . . 181 ASP HA . 17200 1 619 . 1 1 58 58 ASP HB2 H 1 2.71 0.0300 . 1 . . . . 181 ASP HB2 . 17200 1 620 . 1 1 58 58 ASP HB3 H 1 2.71 0.0300 . 1 . . . . 181 ASP HB3 . 17200 1 621 . 1 1 58 58 ASP C C 13 174.91 0.4000 . 1 . . . . 181 ASP C . 17200 1 622 . 1 1 58 58 ASP CA C 13 54.23 0.4000 . 1 . . . . 181 ASP CA . 17200 1 623 . 1 1 58 58 ASP CB C 13 41.87 0.4000 . 1 . . . . 181 ASP CB . 17200 1 624 . 1 1 58 58 ASP N N 15 119.93 0.4000 . 1 . . . . 181 ASP N . 17200 1 625 . 1 1 59 59 VAL H H 1 7.69 0.0300 . 1 . . . . 182 VAL H . 17200 1 626 . 1 1 59 59 VAL HA H 1 4.39 0.0300 . 1 . . . . 182 VAL HA . 17200 1 627 . 1 1 59 59 VAL HB H 1 1.89 0.0300 . 1 . . . . 182 VAL HB . 17200 1 628 . 1 1 59 59 VAL HG11 H 1 0.67 0.0300 . 2 . . . . 182 VAL HG1 . 17200 1 629 . 1 1 59 59 VAL HG12 H 1 0.67 0.0300 . 2 . . . . 182 VAL HG1 . 17200 1 630 . 1 1 59 59 VAL HG13 H 1 0.67 0.0300 . 2 . . . . 182 VAL HG1 . 17200 1 631 . 1 1 59 59 VAL HG21 H 1 0.40 0.0300 . 2 . . . . 182 VAL HG2 . 17200 1 632 . 1 1 59 59 VAL HG22 H 1 0.40 0.0300 . 2 . . . . 182 VAL HG2 . 17200 1 633 . 1 1 59 59 VAL HG23 H 1 0.40 0.0300 . 2 . . . . 182 VAL HG2 . 17200 1 634 . 1 1 59 59 VAL C C 13 174.22 0.4000 . 1 . . . . 182 VAL C . 17200 1 635 . 1 1 59 59 VAL CA C 13 62.02 0.4000 . 1 . . . . 182 VAL CA . 17200 1 636 . 1 1 59 59 VAL CB C 13 33.62 0.4000 . 1 . . . . 182 VAL CB . 17200 1 637 . 1 1 59 59 VAL CG1 C 13 21.23 0.4000 . 1 . . . . 182 VAL CG1 . 17200 1 638 . 1 1 59 59 VAL CG2 C 13 21.57 0.4000 . 1 . . . . 182 VAL CG2 . 17200 1 639 . 1 1 59 59 VAL N N 15 118.74 0.4000 . 1 . . . . 182 VAL N . 17200 1 640 . 1 1 60 60 ILE H H 1 8.75 0.0300 . 1 . . . . 183 ILE H . 17200 1 641 . 1 1 60 60 ILE HA H 1 4.34 0.0300 . 1 . . . . 183 ILE HA . 17200 1 642 . 1 1 60 60 ILE HB H 1 1.70 0.0300 . 1 . . . . 183 ILE HB . 17200 1 643 . 1 1 60 60 ILE HD11 H 1 0.70 0.0300 . 1 . . . . 183 ILE HD1 . 17200 1 644 . 1 1 60 60 ILE HD12 H 1 0.70 0.0300 . 1 . . . . 183 ILE HD1 . 17200 1 645 . 1 1 60 60 ILE HD13 H 1 0.70 0.0300 . 1 . . . . 183 ILE HD1 . 17200 1 646 . 1 1 60 60 ILE HG12 H 1 1.29 0.0300 . 2 . . . . 183 ILE HG12 . 17200 1 647 . 1 1 60 60 ILE HG13 H 1 1.02 0.0300 . 2 . . . . 183 ILE HG13 . 17200 1 648 . 1 1 60 60 ILE HG21 H 1 0.44 0.0300 . 1 . . . . 183 ILE HG2 . 17200 1 649 . 1 1 60 60 ILE HG22 H 1 0.44 0.0300 . 1 . . . . 183 ILE HG2 . 17200 1 650 . 1 1 60 60 ILE HG23 H 1 0.44 0.0300 . 1 . . . . 183 ILE HG2 . 17200 1 651 . 1 1 60 60 ILE C C 13 175.41 0.4000 . 1 . . . . 183 ILE C . 17200 1 652 . 1 1 60 60 ILE CA C 13 59.01 0.4000 . 1 . . . . 183 ILE CA . 17200 1 653 . 1 1 60 60 ILE CB C 13 39.07 0.4000 . 1 . . . . 183 ILE CB . 17200 1 654 . 1 1 60 60 ILE CD1 C 13 12.14 0.4000 . 1 . . . . 183 ILE CD1 . 17200 1 655 . 1 1 60 60 ILE CG1 C 13 26.98 0.4000 . 1 . . . . 183 ILE CG1 . 17200 1 656 . 1 1 60 60 ILE CG2 C 13 17.10 0.4000 . 1 . . . . 183 ILE CG2 . 17200 1 657 . 1 1 60 60 ILE N N 15 125.16 0.4000 . 1 . . . . 183 ILE N . 17200 1 658 . 1 1 61 61 TYR H H 1 8.51 0.0300 . 1 . . . . 184 TYR H . 17200 1 659 . 1 1 61 61 TYR HA H 1 4.90 0.0300 . 1 . . . . 184 TYR HA . 17200 1 660 . 1 1 61 61 TYR HB2 H 1 2.70 0.0300 . 2 . . . . 184 TYR HB2 . 17200 1 661 . 1 1 61 61 TYR HB3 H 1 2.59 0.0300 . 2 . . . . 184 TYR HB3 . 17200 1 662 . 1 1 61 61 TYR HD1 H 1 6.90 0.0300 . 1 . . . . 184 TYR HD1 . 17200 1 663 . 1 1 61 61 TYR HD2 H 1 6.90 0.0300 . 1 . . . . 184 TYR HD2 . 17200 1 664 . 1 1 61 61 TYR HE1 H 1 7.06 0.0300 . 1 . . . . 184 TYR HE1 . 17200 1 665 . 1 1 61 61 TYR HE2 H 1 7.06 0.0300 . 1 . . . . 184 TYR HE2 . 17200 1 666 . 1 1 61 61 TYR C C 13 174.44 0.4000 . 1 . . . . 184 TYR C . 17200 1 667 . 1 1 61 61 TYR CA C 13 57.86 0.4000 . 1 . . . . 184 TYR CA . 17200 1 668 . 1 1 61 61 TYR CB C 13 41.12 0.4000 . 1 . . . . 184 TYR CB . 17200 1 669 . 1 1 61 61 TYR CD1 C 13 132.39 0.4000 . 1 . . . . 184 TYR CD1 . 17200 1 670 . 1 1 61 61 TYR CE1 C 13 118.66 0.4000 . 1 . . . . 184 TYR CE1 . 17200 1 671 . 1 1 61 61 TYR N N 15 123.36 0.4000 . 1 . . . . 184 TYR N . 17200 1 672 . 1 1 62 62 HIS H H 1 9.16 0.0300 . 1 . . . . 185 HIS H . 17200 1 673 . 1 1 62 62 HIS HA H 1 5.22 0.0300 . 1 . . . . 185 HIS HA . 17200 1 674 . 1 1 62 62 HIS HB2 H 1 3.05 0.0300 . 2 . . . . 185 HIS HB2 . 17200 1 675 . 1 1 62 62 HIS HB3 H 1 2.69 0.0300 . 2 . . . . 185 HIS HB3 . 17200 1 676 . 1 1 62 62 HIS HD2 H 1 6.82 0.0300 . 1 . . . . 185 HIS HD2 . 17200 1 677 . 1 1 62 62 HIS HE1 H 1 7.39 0.0300 . 1 . . . . 185 HIS HE1 . 17200 1 678 . 1 1 62 62 HIS C C 13 175.95 0.4000 . 1 . . . . 185 HIS C . 17200 1 679 . 1 1 62 62 HIS CA C 13 54.67 0.4000 . 1 . . . . 185 HIS CA . 17200 1 680 . 1 1 62 62 HIS CB C 13 31.03 0.4000 . 1 . . . . 185 HIS CB . 17200 1 681 . 1 1 62 62 HIS CD2 C 13 113.98 0.4000 . 1 . . . . 185 HIS CD2 . 17200 1 682 . 1 1 62 62 HIS CE1 C 13 137.49 0.4000 . 1 . . . . 185 HIS CE1 . 17200 1 683 . 1 1 62 62 HIS N N 15 124.63 0.4000 . 1 . . . . 185 HIS N . 17200 1 684 . 1 1 63 63 VAL H H 1 9.40 0.0300 . 1 . . . . 186 VAL H . 17200 1 685 . 1 1 63 63 VAL HA H 1 5.40 0.0300 . 1 . . . . 186 VAL HA . 17200 1 686 . 1 1 63 63 VAL HB H 1 1.71 0.0300 . 1 . . . . 186 VAL HB . 17200 1 687 . 1 1 63 63 VAL HG11 H 1 0.56 0.0300 . 2 . . . . 186 VAL HG1 . 17200 1 688 . 1 1 63 63 VAL HG12 H 1 0.56 0.0300 . 2 . . . . 186 VAL HG1 . 17200 1 689 . 1 1 63 63 VAL HG13 H 1 0.56 0.0300 . 2 . . . . 186 VAL HG1 . 17200 1 690 . 1 1 63 63 VAL HG21 H 1 0.31 0.0300 . 2 . . . . 186 VAL HG2 . 17200 1 691 . 1 1 63 63 VAL HG22 H 1 0.31 0.0300 . 2 . . . . 186 VAL HG2 . 17200 1 692 . 1 1 63 63 VAL HG23 H 1 0.31 0.0300 . 2 . . . . 186 VAL HG2 . 17200 1 693 . 1 1 63 63 VAL C C 13 172.79 0.4000 . 1 . . . . 186 VAL C . 17200 1 694 . 1 1 63 63 VAL CA C 13 58.40 0.4000 . 1 . . . . 186 VAL CA . 17200 1 695 . 1 1 63 63 VAL CB C 13 35.39 0.4000 . 1 . . . . 186 VAL CB . 17200 1 696 . 1 1 63 63 VAL CG1 C 13 20.80 0.4000 . 1 . . . . 186 VAL CG1 . 17200 1 697 . 1 1 63 63 VAL CG2 C 13 18.77 0.4000 . 1 . . . . 186 VAL CG2 . 17200 1 698 . 1 1 63 63 VAL N N 15 118.79 0.4000 . 1 . . . . 186 VAL N . 17200 1 699 . 1 1 64 64 LYS H H 1 8.31 0.0300 . 1 . . . . 187 LYS H . 17200 1 700 . 1 1 64 64 LYS HA H 1 4.87 0.0300 . 1 . . . . 187 LYS HA . 17200 1 701 . 1 1 64 64 LYS HB2 H 1 1.68 0.0300 . 2 . . . . 187 LYS HB2 . 17200 1 702 . 1 1 64 64 LYS HB3 H 1 1.63 0.0300 . 2 . . . . 187 LYS HB3 . 17200 1 703 . 1 1 64 64 LYS HD2 H 1 1.66 0.0300 . 2 . . . . 187 LYS HD2 . 17200 1 704 . 1 1 64 64 LYS HD3 H 1 1.61 0.0300 . 2 . . . . 187 LYS HD3 . 17200 1 705 . 1 1 64 64 LYS HE2 H 1 2.92 0.0300 . 1 . . . . 187 LYS HE2 . 17200 1 706 . 1 1 64 64 LYS HE3 H 1 2.92 0.0300 . 1 . . . . 187 LYS HE3 . 17200 1 707 . 1 1 64 64 LYS HG2 H 1 1.44 0.0300 . 2 . . . . 187 LYS HG2 . 17200 1 708 . 1 1 64 64 LYS HG3 H 1 1.32 0.0300 . 2 . . . . 187 LYS HG3 . 17200 1 709 . 1 1 64 64 LYS C C 13 176.62 0.4000 . 1 . . . . 187 LYS C . 17200 1 710 . 1 1 64 64 LYS CA C 13 54.07 0.4000 . 1 . . . . 187 LYS CA . 17200 1 711 . 1 1 64 64 LYS CB C 13 35.96 0.4000 . 1 . . . . 187 LYS CB . 17200 1 712 . 1 1 64 64 LYS CD C 13 29.62 0.4000 . 1 . . . . 187 LYS CD . 17200 1 713 . 1 1 64 64 LYS CE C 13 41.99 0.4000 . 1 . . . . 187 LYS CE . 17200 1 714 . 1 1 64 64 LYS CG C 13 24.43 0.4000 . 1 . . . . 187 LYS CG . 17200 1 715 . 1 1 64 64 LYS N N 15 118.36 0.4000 . 1 . . . . 187 LYS N . 17200 1 716 . 1 1 65 65 TYR H H 1 9.88 0.0300 . 1 . . . . 188 TYR H . 17200 1 717 . 1 1 65 65 TYR HA H 1 4.83 0.0300 . 1 . . . . 188 TYR HA . 17200 1 718 . 1 1 65 65 TYR HB2 H 1 3.44 0.0300 . 1 . . . . 188 TYR HB2 . 17200 1 719 . 1 1 65 65 TYR HB3 H 1 3.44 0.0300 . 1 . . . . 188 TYR HB3 . 17200 1 720 . 1 1 65 65 TYR HD1 H 1 7.22 0.0300 . 1 . . . . 188 TYR HD1 . 17200 1 721 . 1 1 65 65 TYR HD2 H 1 7.22 0.0300 . 1 . . . . 188 TYR HD2 . 17200 1 722 . 1 1 65 65 TYR HE1 H 1 6.70 0.0300 . 1 . . . . 188 TYR HE1 . 17200 1 723 . 1 1 65 65 TYR HE2 H 1 6.70 0.0300 . 1 . . . . 188 TYR HE2 . 17200 1 724 . 1 1 65 65 TYR C C 13 177.46 0.4000 . 1 . . . . 188 TYR C . 17200 1 725 . 1 1 65 65 TYR CA C 13 58.59 0.4000 . 1 . . . . 188 TYR CA . 17200 1 726 . 1 1 65 65 TYR CB C 13 39.60 0.4000 . 1 . . . . 188 TYR CB . 17200 1 727 . 1 1 65 65 TYR CD1 C 13 132.77 0.4000 . 1 . . . . 188 TYR CD1 . 17200 1 728 . 1 1 65 65 TYR CE1 C 13 117.90 0.4000 . 1 . . . . 188 TYR CE1 . 17200 1 729 . 1 1 65 65 TYR N N 15 125.58 0.4000 . 1 . . . . 188 TYR N . 17200 1 730 . 1 1 66 66 ASP H H 1 8.98 0.0300 . 1 . . . . 189 ASP H . 17200 1 731 . 1 1 66 66 ASP HA H 1 4.29 0.0300 . 1 . . . . 189 ASP HA . 17200 1 732 . 1 1 66 66 ASP HB2 H 1 2.70 0.0300 . 2 . . . . 189 ASP HB2 . 17200 1 733 . 1 1 66 66 ASP HB3 H 1 2.56 0.0300 . 2 . . . . 189 ASP HB3 . 17200 1 734 . 1 1 66 66 ASP C C 13 177.53 0.4000 . 1 . . . . 189 ASP C . 17200 1 735 . 1 1 66 66 ASP CA C 13 57.49 0.4000 . 1 . . . . 189 ASP CA . 17200 1 736 . 1 1 66 66 ASP CB C 13 40.02 0.4000 . 1 . . . . 189 ASP CB . 17200 1 737 . 1 1 66 66 ASP N N 15 127.93 0.4000 . 1 . . . . 189 ASP N . 17200 1 738 . 1 1 67 67 ASP H H 1 9.14 0.0300 . 1 . . . . 190 ASP H . 17200 1 739 . 1 1 67 67 ASP HA H 1 4.80 0.0300 . 1 . . . . 190 ASP HA . 17200 1 740 . 1 1 67 67 ASP HB2 H 1 2.48 0.0300 . 1 . . . . 190 ASP HB2 . 17200 1 741 . 1 1 67 67 ASP HB3 H 1 2.48 0.0300 . 1 . . . . 190 ASP HB3 . 17200 1 742 . 1 1 67 67 ASP C C 13 174.86 0.4000 . 1 . . . . 190 ASP C . 17200 1 743 . 1 1 67 67 ASP CA C 13 53.92 0.4000 . 1 . . . . 190 ASP CA . 17200 1 744 . 1 1 67 67 ASP CB C 13 41.43 0.4000 . 1 . . . . 190 ASP CB . 17200 1 745 . 1 1 67 67 ASP N N 15 113.56 0.4000 . 1 . . . . 190 ASP N . 17200 1 746 . 1 1 68 68 TYR H H 1 7.14 0.0300 . 1 . . . . 191 TYR H . 17200 1 747 . 1 1 68 68 TYR HA H 1 5.15 0.0300 . 1 . . . . 191 TYR HA . 17200 1 748 . 1 1 68 68 TYR HB2 H 1 3.24 0.0300 . 1 . . . . 191 TYR HB2 . 17200 1 749 . 1 1 68 68 TYR HB3 H 1 3.24 0.0300 . 1 . . . . 191 TYR HB3 . 17200 1 750 . 1 1 68 68 TYR HD1 H 1 7.01 0.0300 . 1 . . . . 191 TYR HD1 . 17200 1 751 . 1 1 68 68 TYR HD2 H 1 7.01 0.0300 . 1 . . . . 191 TYR HD2 . 17200 1 752 . 1 1 68 68 TYR HE1 H 1 6.89 0.0300 . 1 . . . . 191 TYR HE1 . 17200 1 753 . 1 1 68 68 TYR HE2 H 1 6.89 0.0300 . 1 . . . . 191 TYR HE2 . 17200 1 754 . 1 1 68 68 TYR CA C 13 55.35 0.4000 . 1 . . . . 191 TYR CA . 17200 1 755 . 1 1 68 68 TYR CB C 13 38.49 0.4000 . 1 . . . . 191 TYR CB . 17200 1 756 . 1 1 68 68 TYR CD1 C 13 134.22 0.4000 . 1 . . . . 191 TYR CD1 . 17200 1 757 . 1 1 68 68 TYR CE1 C 13 118.53 0.4000 . 1 . . . . 191 TYR CE1 . 17200 1 758 . 1 1 68 68 TYR N N 15 113.96 0.4000 . 1 . . . . 191 TYR N . 17200 1 759 . 1 1 69 69 PRO HA H 1 4.50 0.0300 . 1 . . . . 192 PRO HA . 17200 1 760 . 1 1 69 69 PRO HB2 H 1 2.40 0.0300 . 1 . . . . 192 PRO HB2 . 17200 1 761 . 1 1 69 69 PRO HB3 H 1 2.40 0.0300 . 1 . . . . 192 PRO HB3 . 17200 1 762 . 1 1 69 69 PRO HD2 H 1 3.71 0.0300 . 2 . . . . 192 PRO HD2 . 17200 1 763 . 1 1 69 69 PRO HD3 H 1 3.82 0.0300 . 2 . . . . 192 PRO HD3 . 17200 1 764 . 1 1 69 69 PRO HG2 H 1 2.13 0.0300 . 1 . . . . 192 PRO HG2 . 17200 1 765 . 1 1 69 69 PRO HG3 H 1 2.13 0.0300 . 1 . . . . 192 PRO HG3 . 17200 1 766 . 1 1 69 69 PRO C C 13 179.41 0.4000 . 1 . . . . 192 PRO C . 17200 1 767 . 1 1 69 69 PRO CA C 13 65.41 0.4000 . 1 . . . . 192 PRO CA . 17200 1 768 . 1 1 69 69 PRO CB C 13 30.93 0.4000 . 1 . . . . 192 PRO CB . 17200 1 769 . 1 1 69 69 PRO CD C 13 50.72 0.4000 . 1 . . . . 192 PRO CD . 17200 1 770 . 1 1 69 69 PRO CG C 13 27.37 0.4000 . 1 . . . . 192 PRO CG . 17200 1 771 . 1 1 70 70 GLU H H 1 10.38 0.0300 . 1 . . . . 193 GLU H . 17200 1 772 . 1 1 70 70 GLU HA H 1 4.27 0.0300 . 1 . . . . 193 GLU HA . 17200 1 773 . 1 1 70 70 GLU HB2 H 1 2.07 0.0300 . 1 . . . . 193 GLU HB2 . 17200 1 774 . 1 1 70 70 GLU HB3 H 1 2.07 0.0300 . 1 . . . . 193 GLU HB3 . 17200 1 775 . 1 1 70 70 GLU HG2 H 1 2.43 0.0300 . 2 . . . . 193 GLU HG2 . 17200 1 776 . 1 1 70 70 GLU HG3 H 1 2.35 0.0300 . 2 . . . . 193 GLU HG3 . 17200 1 777 . 1 1 70 70 GLU C C 13 177.22 0.4000 . 1 . . . . 193 GLU C . 17200 1 778 . 1 1 70 70 GLU CA C 13 58.37 0.4000 . 1 . . . . 193 GLU CA . 17200 1 779 . 1 1 70 70 GLU CB C 13 27.85 0.4000 . 1 . . . . 193 GLU CB . 17200 1 780 . 1 1 70 70 GLU CG C 13 35.51 0.4000 . 1 . . . . 193 GLU CG . 17200 1 781 . 1 1 70 70 GLU N N 15 120.68 0.4000 . 1 . . . . 193 GLU N . 17200 1 782 . 1 1 71 71 ASN H H 1 7.84 0.0300 . 1 . . . . 194 ASN H . 17200 1 783 . 1 1 71 71 ASN HA H 1 4.62 0.0300 . 1 . . . . 194 ASN HA . 17200 1 784 . 1 1 71 71 ASN HB2 H 1 2.99 0.0300 . 2 . . . . 194 ASN HB2 . 17200 1 785 . 1 1 71 71 ASN HB3 H 1 2.83 0.0300 . 2 . . . . 194 ASN HB3 . 17200 1 786 . 1 1 71 71 ASN HD21 H 1 6.88 0.0300 . 2 . . . . 194 ASN HD21 . 17200 1 787 . 1 1 71 71 ASN HD22 H 1 7.37 0.0300 . 2 . . . . 194 ASN HD22 . 17200 1 788 . 1 1 71 71 ASN C C 13 175.36 0.4000 . 1 . . . . 194 ASN C . 17200 1 789 . 1 1 71 71 ASN CA C 13 54.86 0.4000 . 1 . . . . 194 ASN CA . 17200 1 790 . 1 1 71 71 ASN CB C 13 39.30 0.4000 . 1 . . . . 194 ASN CB . 17200 1 791 . 1 1 71 71 ASN N N 15 119.50 0.4000 . 1 . . . . 194 ASN N . 17200 1 792 . 1 1 71 71 ASN ND2 N 15 109.50 0.4000 . 1 . . . . 194 ASN ND2 . 17200 1 793 . 1 1 72 72 GLY H H 1 7.92 0.0300 . 1 . . . . 195 GLY H . 17200 1 794 . 1 1 72 72 GLY HA2 H 1 4.02 0.0300 . 2 . . . . 195 GLY HA2 . 17200 1 795 . 1 1 72 72 GLY HA3 H 1 3.87 0.0300 . 2 . . . . 195 GLY HA3 . 17200 1 796 . 1 1 72 72 GLY C C 13 172.05 0.4000 . 1 . . . . 195 GLY C . 17200 1 797 . 1 1 72 72 GLY CA C 13 45.36 0.4000 . 1 . . . . 195 GLY CA . 17200 1 798 . 1 1 72 72 GLY N N 15 106.07 0.4000 . 1 . . . . 195 GLY N . 17200 1 799 . 1 1 73 73 VAL H H 1 8.30 0.0300 . 1 . . . . 196 VAL H . 17200 1 800 . 1 1 73 73 VAL HA H 1 4.47 0.0300 . 1 . . . . 196 VAL HA . 17200 1 801 . 1 1 73 73 VAL HB H 1 1.95 0.0300 . 1 . . . . 196 VAL HB . 17200 1 802 . 1 1 73 73 VAL HG11 H 1 0.95 0.0300 . 2 . . . . 196 VAL HG1 . 17200 1 803 . 1 1 73 73 VAL HG12 H 1 0.95 0.0300 . 2 . . . . 196 VAL HG1 . 17200 1 804 . 1 1 73 73 VAL HG13 H 1 0.95 0.0300 . 2 . . . . 196 VAL HG1 . 17200 1 805 . 1 1 73 73 VAL HG21 H 1 0.87 0.0300 . 2 . . . . 196 VAL HG2 . 17200 1 806 . 1 1 73 73 VAL HG22 H 1 0.87 0.0300 . 2 . . . . 196 VAL HG2 . 17200 1 807 . 1 1 73 73 VAL HG23 H 1 0.87 0.0300 . 2 . . . . 196 VAL HG2 . 17200 1 808 . 1 1 73 73 VAL C C 13 176.42 0.4000 . 1 . . . . 196 VAL C . 17200 1 809 . 1 1 73 73 VAL CA C 13 61.95 0.4000 . 1 . . . . 196 VAL CA . 17200 1 810 . 1 1 73 73 VAL CB C 13 32.43 0.4000 . 1 . . . . 196 VAL CB . 17200 1 811 . 1 1 73 73 VAL CG1 C 13 22.23 0.4000 . 1 . . . . 196 VAL CG1 . 17200 1 812 . 1 1 73 73 VAL CG2 C 13 23.07 0.4000 . 1 . . . . 196 VAL CG2 . 17200 1 813 . 1 1 73 73 VAL N N 15 121.68 0.4000 . 1 . . . . 196 VAL N . 17200 1 814 . 1 1 74 74 VAL H H 1 9.40 0.0300 . 1 . . . . 197 VAL H . 17200 1 815 . 1 1 74 74 VAL HA H 1 4.41 0.0300 . 1 . . . . 197 VAL HA . 17200 1 816 . 1 1 74 74 VAL HB H 1 1.88 0.0300 . 1 . . . . 197 VAL HB . 17200 1 817 . 1 1 74 74 VAL HG11 H 1 0.95 0.0300 . 2 . . . . 197 VAL HG1 . 17200 1 818 . 1 1 74 74 VAL HG12 H 1 0.95 0.0300 . 2 . . . . 197 VAL HG1 . 17200 1 819 . 1 1 74 74 VAL HG13 H 1 0.95 0.0300 . 2 . . . . 197 VAL HG1 . 17200 1 820 . 1 1 74 74 VAL HG21 H 1 0.84 0.0300 . 2 . . . . 197 VAL HG2 . 17200 1 821 . 1 1 74 74 VAL HG22 H 1 0.84 0.0300 . 2 . . . . 197 VAL HG2 . 17200 1 822 . 1 1 74 74 VAL HG23 H 1 0.84 0.0300 . 2 . . . . 197 VAL HG2 . 17200 1 823 . 1 1 74 74 VAL C C 13 175.05 0.4000 . 1 . . . . 197 VAL C . 17200 1 824 . 1 1 74 74 VAL CA C 13 60.60 0.4000 . 1 . . . . 197 VAL CA . 17200 1 825 . 1 1 74 74 VAL CB C 13 34.64 0.4000 . 1 . . . . 197 VAL CB . 17200 1 826 . 1 1 74 74 VAL CG1 C 13 21.82 0.4000 . 1 . . . . 197 VAL CG1 . 17200 1 827 . 1 1 74 74 VAL CG2 C 13 20.50 0.4000 . 1 . . . . 197 VAL CG2 . 17200 1 828 . 1 1 74 74 VAL N N 15 128.13 0.4000 . 1 . . . . 197 VAL N . 17200 1 829 . 1 1 75 75 GLN H H 1 8.40 0.0300 . 1 . . . . 198 GLN H . 17200 1 830 . 1 1 75 75 GLN HA H 1 4.31 0.0300 . 1 . . . . 198 GLN HA . 17200 1 831 . 1 1 75 75 GLN HB2 H 1 1.80 0.0300 . 2 . . . . 198 GLN HB2 . 17200 1 832 . 1 1 75 75 GLN HB3 H 1 1.58 0.0300 . 2 . . . . 198 GLN HB3 . 17200 1 833 . 1 1 75 75 GLN HE21 H 1 6.80 0.0300 . 2 . . . . 198 GLN HE21 . 17200 1 834 . 1 1 75 75 GLN HE22 H 1 7.36 0.0300 . 2 . . . . 198 GLN HE22 . 17200 1 835 . 1 1 75 75 GLN HG2 H 1 1.76 0.0300 . 2 . . . . 198 GLN HG2 . 17200 1 836 . 1 1 75 75 GLN HG3 H 1 1.49 0.0300 . 2 . . . . 198 GLN HG3 . 17200 1 837 . 1 1 75 75 GLN C C 13 175.36 0.4000 . 1 . . . . 198 GLN C . 17200 1 838 . 1 1 75 75 GLN CA C 13 56.40 0.4000 . 1 . . . . 198 GLN CA . 17200 1 839 . 1 1 75 75 GLN CB C 13 29.08 0.4000 . 1 . . . . 198 GLN CB . 17200 1 840 . 1 1 75 75 GLN CG C 13 34.26 0.4000 . 1 . . . . 198 GLN CG . 17200 1 841 . 1 1 75 75 GLN N N 15 124.35 0.4000 . 1 . . . . 198 GLN N . 17200 1 842 . 1 1 75 75 GLN NE2 N 15 111.89 0.4000 . 1 . . . . 198 GLN NE2 . 17200 1 843 . 1 1 76 76 MET H H 1 9.38 0.0300 . 1 . . . . 199 MET H . 17200 1 844 . 1 1 76 76 MET HA H 1 4.93 0.0300 . 1 . . . . 199 MET HA . 17200 1 845 . 1 1 76 76 MET HB2 H 1 2.26 0.0300 . 1 . . . . 199 MET HB2 . 17200 1 846 . 1 1 76 76 MET HB3 H 1 2.26 0.0300 . 1 . . . . 199 MET HB3 . 17200 1 847 . 1 1 76 76 MET HE1 H 1 1.91 0.0300 . 1 . . . . 199 MET HE . 17200 1 848 . 1 1 76 76 MET HE2 H 1 1.91 0.0300 . 1 . . . . 199 MET HE . 17200 1 849 . 1 1 76 76 MET HE3 H 1 1.91 0.0300 . 1 . . . . 199 MET HE . 17200 1 850 . 1 1 76 76 MET C C 13 175.41 0.4000 . 1 . . . . 199 MET C . 17200 1 851 . 1 1 76 76 MET CA C 13 53.47 0.4000 . 1 . . . . 199 MET CA . 17200 1 852 . 1 1 76 76 MET CB C 13 35.26 0.4000 . 1 . . . . 199 MET CB . 17200 1 853 . 1 1 76 76 MET CE C 13 18.87 0.4000 . 1 . . . . 199 MET CE . 17200 1 854 . 1 1 76 76 MET N N 15 123.68 0.4000 . 1 . . . . 199 MET N . 17200 1 855 . 1 1 77 77 ASN H H 1 9.10 0.0300 . 1 . . . . 200 ASN H . 17200 1 856 . 1 1 77 77 ASN HA H 1 4.90 0.0300 . 1 . . . . 200 ASN HA . 17200 1 857 . 1 1 77 77 ASN HB2 H 1 3.03 0.0300 . 2 . . . . 200 ASN HB2 . 17200 1 858 . 1 1 77 77 ASN HB3 H 1 2.82 0.0300 . 2 . . . . 200 ASN HB3 . 17200 1 859 . 1 1 77 77 ASN HD21 H 1 7.02 0.0300 . 2 . . . . 200 ASN HD21 . 17200 1 860 . 1 1 77 77 ASN HD22 H 1 7.86 0.0300 . 2 . . . . 200 ASN HD22 . 17200 1 861 . 1 1 77 77 ASN C C 13 176.97 0.4000 . 1 . . . . 200 ASN C . 17200 1 862 . 1 1 77 77 ASN CA C 13 53.48 0.4000 . 1 . . . . 200 ASN CA . 17200 1 863 . 1 1 77 77 ASN CB C 13 39.64 0.4000 . 1 . . . . 200 ASN CB . 17200 1 864 . 1 1 77 77 ASN N N 15 120.43 0.4000 . 1 . . . . 200 ASN N . 17200 1 865 . 1 1 77 77 ASN ND2 N 15 113.92 0.4000 . 1 . . . . 200 ASN ND2 . 17200 1 866 . 1 1 78 78 SER H H 1 9.00 0.0300 . 1 . . . . 201 SER H . 17200 1 867 . 1 1 78 78 SER HA H 1 4.30 0.0300 . 1 . . . . 201 SER HA . 17200 1 868 . 1 1 78 78 SER HB2 H 1 4.33 0.0300 . 1 . . . . 201 SER HB2 . 17200 1 869 . 1 1 78 78 SER HB3 H 1 4.33 0.0300 . 1 . . . . 201 SER HB3 . 17200 1 870 . 1 1 78 78 SER C C 13 176.56 0.4000 . 1 . . . . 201 SER C . 17200 1 871 . 1 1 78 78 SER CA C 13 61.94 0.4000 . 1 . . . . 201 SER CA . 17200 1 872 . 1 1 78 78 SER CB C 13 62.77 0.4000 . 1 . . . . 201 SER CB . 17200 1 873 . 1 1 78 78 SER N N 15 118.68 0.4000 . 1 . . . . 201 SER N . 17200 1 874 . 1 1 79 79 ARG H H 1 8.50 0.0300 . 1 . . . . 202 ARG H . 17200 1 875 . 1 1 79 79 ARG HA H 1 4.50 0.0300 . 1 . . . . 202 ARG HA . 17200 1 876 . 1 1 79 79 ARG HB2 H 1 2.00 0.0300 . 2 . . . . 202 ARG HB2 . 17200 1 877 . 1 1 79 79 ARG HB3 H 1 1.93 0.0300 . 2 . . . . 202 ARG HB3 . 17200 1 878 . 1 1 79 79 ARG HD2 H 1 3.26 0.0300 . 1 . . . . 202 ARG HD2 . 17200 1 879 . 1 1 79 79 ARG HD3 H 1 3.26 0.0300 . 1 . . . . 202 ARG HD3 . 17200 1 880 . 1 1 79 79 ARG C C 13 176.69 0.4000 . 1 . . . . 202 ARG C . 17200 1 881 . 1 1 79 79 ARG CA C 13 57.64 0.4000 . 1 . . . . 202 ARG CA . 17200 1 882 . 1 1 79 79 ARG CB C 13 29.79 0.4000 . 1 . . . . 202 ARG CB . 17200 1 883 . 1 1 79 79 ARG CD C 13 43.58 0.4000 . 1 . . . . 202 ARG CD . 17200 1 884 . 1 1 79 79 ARG N N 15 118.15 0.4000 . 1 . . . . 202 ARG N . 17200 1 885 . 1 1 80 80 ASP H H 1 8.03 0.0300 . 1 . . . . 203 ASP H . 17200 1 886 . 1 1 80 80 ASP HA H 1 4.92 0.0300 . 1 . . . . 203 ASP HA . 17200 1 887 . 1 1 80 80 ASP HB2 H 1 2.75 0.0300 . 1 . . . . 203 ASP HB2 . 17200 1 888 . 1 1 80 80 ASP HB3 H 1 2.75 0.0300 . 1 . . . . 203 ASP HB3 . 17200 1 889 . 1 1 80 80 ASP C C 13 172.48 0.4000 . 1 . . . . 203 ASP C . 17200 1 890 . 1 1 80 80 ASP CA C 13 54.73 0.4000 . 1 . . . . 203 ASP CA . 17200 1 891 . 1 1 80 80 ASP CB C 13 43.05 0.4000 . 1 . . . . 203 ASP CB . 17200 1 892 . 1 1 80 80 ASP N N 15 119.67 0.4000 . 1 . . . . 203 ASP N . 17200 1 893 . 1 1 81 81 VAL H H 1 7.51 0.0300 . 1 . . . . 204 VAL H . 17200 1 894 . 1 1 81 81 VAL HA H 1 4.94 0.0300 . 1 . . . . 204 VAL HA . 17200 1 895 . 1 1 81 81 VAL HB H 1 1.60 0.0300 . 1 . . . . 204 VAL HB . 17200 1 896 . 1 1 81 81 VAL HG11 H 1 0.71 0.0300 . 2 . . . . 204 VAL HG1 . 17200 1 897 . 1 1 81 81 VAL HG12 H 1 0.71 0.0300 . 2 . . . . 204 VAL HG1 . 17200 1 898 . 1 1 81 81 VAL HG13 H 1 0.71 0.0300 . 2 . . . . 204 VAL HG1 . 17200 1 899 . 1 1 81 81 VAL HG21 H 1 0.07 0.0300 . 2 . . . . 204 VAL HG2 . 17200 1 900 . 1 1 81 81 VAL HG22 H 1 0.07 0.0300 . 2 . . . . 204 VAL HG2 . 17200 1 901 . 1 1 81 81 VAL HG23 H 1 0.07 0.0300 . 2 . . . . 204 VAL HG2 . 17200 1 902 . 1 1 81 81 VAL C C 13 173.62 0.4000 . 1 . . . . 204 VAL C . 17200 1 903 . 1 1 81 81 VAL CA C 13 61.53 0.4000 . 1 . . . . 204 VAL CA . 17200 1 904 . 1 1 81 81 VAL CB C 13 35.35 0.4000 . 1 . . . . 204 VAL CB . 17200 1 905 . 1 1 81 81 VAL CG1 C 13 22.52 0.4000 . 1 . . . . 204 VAL CG1 . 17200 1 906 . 1 1 81 81 VAL CG2 C 13 21.83 0.4000 . 1 . . . . 204 VAL CG2 . 17200 1 907 . 1 1 81 81 VAL N N 15 117.37 0.4000 . 1 . . . . 204 VAL N . 17200 1 908 . 1 1 82 82 ARG H H 1 8.75 0.0300 . 1 . . . . 205 ARG H . 17200 1 909 . 1 1 82 82 ARG HA H 1 4.62 0.0300 . 1 . . . . 205 ARG HA . 17200 1 910 . 1 1 82 82 ARG HB2 H 1 1.66 0.0300 . 1 . . . . 205 ARG HB2 . 17200 1 911 . 1 1 82 82 ARG HB3 H 1 1.66 0.0300 . 1 . . . . 205 ARG HB3 . 17200 1 912 . 1 1 82 82 ARG HD2 H 1 3.23 0.0300 . 1 . . . . 205 ARG HD2 . 17200 1 913 . 1 1 82 82 ARG HD3 H 1 3.23 0.0300 . 1 . . . . 205 ARG HD3 . 17200 1 914 . 1 1 82 82 ARG C C 13 174.15 0.4000 . 1 . . . . 205 ARG C . 17200 1 915 . 1 1 82 82 ARG CA C 13 53.95 0.4000 . 1 . . . . 205 ARG CA . 17200 1 916 . 1 1 82 82 ARG CB C 13 33.88 0.4000 . 1 . . . . 205 ARG CB . 17200 1 917 . 1 1 82 82 ARG CD C 13 43.39 0.4000 . 1 . . . . 205 ARG CD . 17200 1 918 . 1 1 82 82 ARG N N 15 121.81 0.4000 . 1 . . . . 205 ARG N . 17200 1 919 . 1 1 83 83 ALA H H 1 7.67 0.0300 . 1 . . . . 206 ALA H . 17200 1 920 . 1 1 83 83 ALA HA H 1 3.94 0.0300 . 1 . . . . 206 ALA HA . 17200 1 921 . 1 1 83 83 ALA HB1 H 1 1.40 0.0300 . 1 . . . . 206 ALA HB . 17200 1 922 . 1 1 83 83 ALA HB2 H 1 1.40 0.0300 . 1 . . . . 206 ALA HB . 17200 1 923 . 1 1 83 83 ALA HB3 H 1 1.40 0.0300 . 1 . . . . 206 ALA HB . 17200 1 924 . 1 1 83 83 ALA C C 13 176.34 0.4000 . 1 . . . . 206 ALA C . 17200 1 925 . 1 1 83 83 ALA CA C 13 52.70 0.4000 . 1 . . . . 206 ALA CA . 17200 1 926 . 1 1 83 83 ALA CB C 13 18.68 0.4000 . 1 . . . . 206 ALA CB . 17200 1 927 . 1 1 83 83 ALA N N 15 120.89 0.4000 . 1 . . . . 206 ALA N . 17200 1 928 . 1 1 84 84 ARG H H 1 7.63 0.0300 . 1 . . . . 207 ARG H . 17200 1 929 . 1 1 84 84 ARG HA H 1 3.66 0.0300 . 1 . . . . 207 ARG HA . 17200 1 930 . 1 1 84 84 ARG HB2 H 1 1.31 0.0300 . 1 . . . . 207 ARG HB2 . 17200 1 931 . 1 1 84 84 ARG HB3 H 1 1.31 0.0300 . 1 . . . . 207 ARG HB3 . 17200 1 932 . 1 1 84 84 ARG HG3 H 1 1.49 0.0300 . 1 . . . . 207 ARG HG3 . 17200 1 933 . 1 1 84 84 ARG C C 13 176.08 0.4000 . 1 . . . . 207 ARG C . 17200 1 934 . 1 1 84 84 ARG CA C 13 55.93 0.4000 . 1 . . . . 207 ARG CA . 17200 1 935 . 1 1 84 84 ARG CB C 13 29.58 0.4000 . 1 . . . . 207 ARG CB . 17200 1 936 . 1 1 84 84 ARG N N 15 119.29 0.4000 . 1 . . . . 207 ARG N . 17200 1 937 . 1 1 85 85 ALA H H 1 7.95 0.0300 . 1 . . . . 208 ALA H . 17200 1 938 . 1 1 85 85 ALA HA H 1 4.13 0.0300 . 1 . . . . 208 ALA HA . 17200 1 939 . 1 1 85 85 ALA HB1 H 1 0.83 0.0300 . 1 . . . . 208 ALA HB . 17200 1 940 . 1 1 85 85 ALA HB2 H 1 0.83 0.0300 . 1 . . . . 208 ALA HB . 17200 1 941 . 1 1 85 85 ALA HB3 H 1 0.83 0.0300 . 1 . . . . 208 ALA HB . 17200 1 942 . 1 1 85 85 ALA CA C 13 53.47 0.4000 . 1 . . . . 208 ALA CA . 17200 1 943 . 1 1 85 85 ALA CB C 13 18.53 0.4000 . 1 . . . . 208 ALA CB . 17200 1 944 . 1 1 85 85 ALA N N 15 128.93 0.4000 . 1 . . . . 208 ALA N . 17200 1 945 . 1 1 86 86 ARG HA H 1 4.65 0.0300 . 1 . . . . 209 ARG HA . 17200 1 946 . 1 1 86 86 ARG HB2 H 1 1.81 0.0300 . 1 . . . . 209 ARG HB2 . 17200 1 947 . 1 1 86 86 ARG HB3 H 1 1.81 0.0300 . 1 . . . . 209 ARG HB3 . 17200 1 948 . 1 1 86 86 ARG HD2 H 1 3.14 0.0300 . 1 . . . . 209 ARG HD2 . 17200 1 949 . 1 1 86 86 ARG HD3 H 1 3.14 0.0300 . 1 . . . . 209 ARG HD3 . 17200 1 950 . 1 1 86 86 ARG HG2 H 1 1.67 0.0300 . 2 . . . . 209 ARG HG2 . 17200 1 951 . 1 1 86 86 ARG HG3 H 1 1.52 0.0300 . 2 . . . . 209 ARG HG3 . 17200 1 952 . 1 1 86 86 ARG C C 13 175.44 0.4000 . 1 . . . . 209 ARG C . 17200 1 953 . 1 1 86 86 ARG CA C 13 56.65 0.4000 . 1 . . . . 209 ARG CA . 17200 1 954 . 1 1 86 86 ARG CB C 13 33.62 0.4000 . 1 . . . . 209 ARG CB . 17200 1 955 . 1 1 86 86 ARG CD C 13 43.51 0.4000 . 1 . . . . 209 ARG CD . 17200 1 956 . 1 1 86 86 ARG CG C 13 26.30 0.4000 . 1 . . . . 209 ARG CG . 17200 1 957 . 1 1 87 87 THR H H 1 9.40 0.0300 . 1 . . . . 210 THR H . 17200 1 958 . 1 1 87 87 THR HA H 1 4.46 0.0300 . 1 . . . . 210 THR HA . 17200 1 959 . 1 1 87 87 THR HB H 1 4.13 0.0300 . 1 . . . . 210 THR HB . 17200 1 960 . 1 1 87 87 THR HG21 H 1 1.15 0.0300 . 1 . . . . 210 THR HG2 . 17200 1 961 . 1 1 87 87 THR HG22 H 1 1.15 0.0300 . 1 . . . . 210 THR HG2 . 17200 1 962 . 1 1 87 87 THR HG23 H 1 1.15 0.0300 . 1 . . . . 210 THR HG2 . 17200 1 963 . 1 1 87 87 THR C C 13 172.07 0.4000 . 1 . . . . 210 THR C . 17200 1 964 . 1 1 87 87 THR CA C 13 62.64 0.4000 . 1 . . . . 210 THR CA . 17200 1 965 . 1 1 87 87 THR CB C 13 70.02 0.4000 . 1 . . . . 210 THR CB . 17200 1 966 . 1 1 87 87 THR CG2 C 13 22.18 0.4000 . 1 . . . . 210 THR CG2 . 17200 1 967 . 1 1 87 87 THR N N 15 122.51 0.4000 . 1 . . . . 210 THR N . 17200 1 968 . 1 1 88 88 ILE H H 1 8.22 0.0300 . 1 . . . . 211 ILE H . 17200 1 969 . 1 1 88 88 ILE HA H 1 4.04 0.0300 . 1 . . . . 211 ILE HA . 17200 1 970 . 1 1 88 88 ILE HB H 1 1.46 0.0300 . 1 . . . . 211 ILE HB . 17200 1 971 . 1 1 88 88 ILE HD11 H 1 0.40 0.0300 . 1 . . . . 211 ILE HD1 . 17200 1 972 . 1 1 88 88 ILE HD12 H 1 0.40 0.0300 . 1 . . . . 211 ILE HD1 . 17200 1 973 . 1 1 88 88 ILE HD13 H 1 0.40 0.0300 . 1 . . . . 211 ILE HD1 . 17200 1 974 . 1 1 88 88 ILE HG12 H 1 0.94 0.0300 . 2 . . . . 211 ILE HG12 . 17200 1 975 . 1 1 88 88 ILE HG13 H 1 0.03 0.0300 . 2 . . . . 211 ILE HG13 . 17200 1 976 . 1 1 88 88 ILE HG21 H 1 0.59 0.0300 . 1 . . . . 211 ILE HG2 . 17200 1 977 . 1 1 88 88 ILE HG22 H 1 0.59 0.0300 . 1 . . . . 211 ILE HG2 . 17200 1 978 . 1 1 88 88 ILE HG23 H 1 0.59 0.0300 . 1 . . . . 211 ILE HG2 . 17200 1 979 . 1 1 88 88 ILE C C 13 176.77 0.4000 . 1 . . . . 211 ILE C . 17200 1 980 . 1 1 88 88 ILE CA C 13 59.84 0.4000 . 1 . . . . 211 ILE CA . 17200 1 981 . 1 1 88 88 ILE CB C 13 38.93 0.4000 . 1 . . . . 211 ILE CB . 17200 1 982 . 1 1 88 88 ILE CD1 C 13 12.00 0.4000 . 1 . . . . 211 ILE CD1 . 17200 1 983 . 1 1 88 88 ILE CG1 C 13 28.19 0.4000 . 1 . . . . 211 ILE CG1 . 17200 1 984 . 1 1 88 88 ILE CG2 C 13 17.10 0.4000 . 1 . . . . 211 ILE CG2 . 17200 1 985 . 1 1 88 88 ILE N N 15 129.31 0.4000 . 1 . . . . 211 ILE N . 17200 1 986 . 1 1 89 89 ILE H H 1 8.96 0.0300 . 1 . . . . 212 ILE H . 17200 1 987 . 1 1 89 89 ILE HA H 1 3.99 0.0300 . 1 . . . . 212 ILE HA . 17200 1 988 . 1 1 89 89 ILE HB H 1 1.48 0.0300 . 1 . . . . 212 ILE HB . 17200 1 989 . 1 1 89 89 ILE HD11 H 1 0.73 0.0300 . 1 . . . . 212 ILE HD1 . 17200 1 990 . 1 1 89 89 ILE HD12 H 1 0.73 0.0300 . 1 . . . . 212 ILE HD1 . 17200 1 991 . 1 1 89 89 ILE HD13 H 1 0.73 0.0300 . 1 . . . . 212 ILE HD1 . 17200 1 992 . 1 1 89 89 ILE HG12 H 1 0.83 0.0300 . 1 . . . . 212 ILE HG12 . 17200 1 993 . 1 1 89 89 ILE HG13 H 1 0.83 0.0300 . 1 . . . . 212 ILE HG13 . 17200 1 994 . 1 1 89 89 ILE HG21 H 1 0.83 0.0300 . 1 . . . . 212 ILE HG2 . 17200 1 995 . 1 1 89 89 ILE HG22 H 1 0.83 0.0300 . 1 . . . . 212 ILE HG2 . 17200 1 996 . 1 1 89 89 ILE HG23 H 1 0.83 0.0300 . 1 . . . . 212 ILE HG2 . 17200 1 997 . 1 1 89 89 ILE C C 13 174.62 0.4000 . 1 . . . . 212 ILE C . 17200 1 998 . 1 1 89 89 ILE CA C 13 60.61 0.4000 . 1 . . . . 212 ILE CA . 17200 1 999 . 1 1 89 89 ILE CB C 13 38.51 0.4000 . 1 . . . . 212 ILE CB . 17200 1 1000 . 1 1 89 89 ILE CD1 C 13 14.10 0.4000 . 1 . . . . 212 ILE CD1 . 17200 1 1001 . 1 1 89 89 ILE CG1 C 13 27.35 0.4000 . 1 . . . . 212 ILE CG1 . 17200 1 1002 . 1 1 89 89 ILE CG2 C 13 18.15 0.4000 . 1 . . . . 212 ILE CG2 . 17200 1 1003 . 1 1 89 89 ILE N N 15 130.98 0.4000 . 1 . . . . 212 ILE N . 17200 1 1004 . 1 1 90 90 LYS H H 1 8.76 0.0300 . 1 . . . . 213 LYS H . 17200 1 1005 . 1 1 90 90 LYS HA H 1 4.17 0.0300 . 1 . . . . 213 LYS HA . 17200 1 1006 . 1 1 90 90 LYS HB2 H 1 1.59 0.0300 . 1 . . . . 213 LYS HB2 . 17200 1 1007 . 1 1 90 90 LYS HB3 H 1 1.59 0.0300 . 1 . . . . 213 LYS HB3 . 17200 1 1008 . 1 1 90 90 LYS HD2 H 1 1.69 0.0300 . 1 . . . . 213 LYS HD2 . 17200 1 1009 . 1 1 90 90 LYS HD3 H 1 1.69 0.0300 . 1 . . . . 213 LYS HD3 . 17200 1 1010 . 1 1 90 90 LYS HE2 H 1 3.00 0.0300 . 1 . . . . 213 LYS HE2 . 17200 1 1011 . 1 1 90 90 LYS HE3 H 1 3.00 0.0300 . 1 . . . . 213 LYS HE3 . 17200 1 1012 . 1 1 90 90 LYS HG2 H 1 1.41 0.0300 . 2 . . . . 213 LYS HG2 . 17200 1 1013 . 1 1 90 90 LYS HG3 H 1 1.36 0.0300 . 2 . . . . 213 LYS HG3 . 17200 1 1014 . 1 1 90 90 LYS C C 13 177.45 0.4000 . 1 . . . . 213 LYS C . 17200 1 1015 . 1 1 90 90 LYS CA C 13 56.66 0.4000 . 1 . . . . 213 LYS CA . 17200 1 1016 . 1 1 90 90 LYS CB C 13 33.63 0.4000 . 1 . . . . 213 LYS CB . 17200 1 1017 . 1 1 90 90 LYS CD C 13 29.61 0.4000 . 1 . . . . 213 LYS CD . 17200 1 1018 . 1 1 90 90 LYS CE C 13 42.12 0.4000 . 1 . . . . 213 LYS CE . 17200 1 1019 . 1 1 90 90 LYS CG C 13 24.90 0.4000 . 1 . . . . 213 LYS CG . 17200 1 1020 . 1 1 90 90 LYS N N 15 126.17 0.4000 . 1 . . . . 213 LYS N . 17200 1 1021 . 1 1 91 91 TRP H H 1 9.18 0.0300 . 1 . . . . 214 TRP H . 17200 1 1022 . 1 1 91 91 TRP HA H 1 4.28 0.0300 . 1 . . . . 214 TRP HA . 17200 1 1023 . 1 1 91 91 TRP HB2 H 1 3.45 0.0300 . 2 . . . . 214 TRP HB2 . 17200 1 1024 . 1 1 91 91 TRP HB3 H 1 3.11 0.0300 . 2 . . . . 214 TRP HB3 . 17200 1 1025 . 1 1 91 91 TRP HD1 H 1 7.19 0.0300 . 1 . . . . 214 TRP HD1 . 17200 1 1026 . 1 1 91 91 TRP HE3 H 1 7.23 0.0300 . 1 . . . . 214 TRP HE3 . 17200 1 1027 . 1 1 91 91 TRP HH2 H 1 7.54 0.0300 . 1 . . . . 214 TRP HH2 . 17200 1 1028 . 1 1 91 91 TRP HZ2 H 1 7.27 0.0300 . 1 . . . . 214 TRP HZ2 . 17200 1 1029 . 1 1 91 91 TRP C C 13 178.07 0.4000 . 1 . . . . 214 TRP C . 17200 1 1030 . 1 1 91 91 TRP CA C 13 60.60 0.4000 . 1 . . . . 214 TRP CA . 17200 1 1031 . 1 1 91 91 TRP CB C 13 29.72 0.4000 . 1 . . . . 214 TRP CB . 17200 1 1032 . 1 1 91 91 TRP CD1 C 13 128.09 0.4000 . 1 . . . . 214 TRP CD1 . 17200 1 1033 . 1 1 91 91 TRP CH2 C 13 121.29 0.4000 . 1 . . . . 214 TRP CH2 . 17200 1 1034 . 1 1 91 91 TRP CZ2 C 13 114.05 0.4000 . 1 . . . . 214 TRP CZ2 . 17200 1 1035 . 1 1 91 91 TRP N N 15 121.62 0.4000 . 1 . . . . 214 TRP N . 17200 1 1036 . 1 1 92 92 GLN H H 1 9.13 0.0300 . 1 . . . . 215 GLN H . 17200 1 1037 . 1 1 92 92 GLN HA H 1 3.80 0.0300 . 1 . . . . 215 GLN HA . 17200 1 1038 . 1 1 92 92 GLN HB2 H 1 2.07 0.0300 . 1 . . . . 215 GLN HB2 . 17200 1 1039 . 1 1 92 92 GLN HB3 H 1 2.07 0.0300 . 1 . . . . 215 GLN HB3 . 17200 1 1040 . 1 1 92 92 GLN HE21 H 1 7.01 0.0300 . 2 . . . . 215 GLN HE21 . 17200 1 1041 . 1 1 92 92 GLN HE22 H 1 7.84 0.0300 . 2 . . . . 215 GLN HE22 . 17200 1 1042 . 1 1 92 92 GLN HG2 H 1 2.49 0.0300 . 2 . . . . 215 GLN HG2 . 17200 1 1043 . 1 1 92 92 GLN HG3 H 1 2.45 0.0300 . 2 . . . . 215 GLN HG3 . 17200 1 1044 . 1 1 92 92 GLN C C 13 175.50 0.4000 . 1 . . . . 215 GLN C . 17200 1 1045 . 1 1 92 92 GLN CA C 13 58.55 0.4000 . 1 . . . . 215 GLN CA . 17200 1 1046 . 1 1 92 92 GLN CB C 13 28.23 0.4000 . 1 . . . . 215 GLN CB . 17200 1 1047 . 1 1 92 92 GLN CG C 13 33.57 0.4000 . 1 . . . . 215 GLN CG . 17200 1 1048 . 1 1 92 92 GLN N N 15 114.63 0.4000 . 1 . . . . 215 GLN N . 17200 1 1049 . 1 1 92 92 GLN NE2 N 15 113.11 0.4000 . 1 . . . . 215 GLN NE2 . 17200 1 1050 . 1 1 93 93 ASP H H 1 7.81 0.0300 . 1 . . . . 216 ASP H . 17200 1 1051 . 1 1 93 93 ASP HA H 1 4.60 0.0300 . 1 . . . . 216 ASP HA . 17200 1 1052 . 1 1 93 93 ASP HB2 H 1 2.75 0.0300 . 2 . . . . 216 ASP HB2 . 17200 1 1053 . 1 1 93 93 ASP HB3 H 1 2.60 0.0300 . 2 . . . . 216 ASP HB3 . 17200 1 1054 . 1 1 93 93 ASP C C 13 175.92 0.4000 . 1 . . . . 216 ASP C . 17200 1 1055 . 1 1 93 93 ASP CA C 13 54.37 0.4000 . 1 . . . . 216 ASP CA . 17200 1 1056 . 1 1 93 93 ASP CB C 13 42.28 0.4000 . 1 . . . . 216 ASP CB . 17200 1 1057 . 1 1 93 93 ASP N N 15 117.30 0.4000 . 1 . . . . 216 ASP N . 17200 1 1058 . 1 1 94 94 LEU H H 1 6.96 0.0300 . 1 . . . . 217 LEU H . 17200 1 1059 . 1 1 94 94 LEU HA H 1 4.52 0.0300 . 1 . . . . 217 LEU HA . 17200 1 1060 . 1 1 94 94 LEU HB2 H 1 1.26 0.0300 . 1 . . . . 217 LEU HB2 . 17200 1 1061 . 1 1 94 94 LEU HB3 H 1 1.26 0.0300 . 1 . . . . 217 LEU HB3 . 17200 1 1062 . 1 1 94 94 LEU HD11 H 1 0.82 0.0300 . 1 . . . . 217 LEU HD1 . 17200 1 1063 . 1 1 94 94 LEU HD12 H 1 0.82 0.0300 . 1 . . . . 217 LEU HD1 . 17200 1 1064 . 1 1 94 94 LEU HD13 H 1 0.82 0.0300 . 1 . . . . 217 LEU HD1 . 17200 1 1065 . 1 1 94 94 LEU HG H 1 0.98 0.0300 . 1 . . . . 217 LEU HG . 17200 1 1066 . 1 1 94 94 LEU CA C 13 54.90 0.4000 . 1 . . . . 217 LEU CA . 17200 1 1067 . 1 1 94 94 LEU CB C 13 43.32 0.4000 . 1 . . . . 217 LEU CB . 17200 1 1068 . 1 1 94 94 LEU CD1 C 13 24.10 0.4000 . 1 . . . . 217 LEU CD1 . 17200 1 1069 . 1 1 94 94 LEU CG C 13 26.89 0.4000 . 1 . . . . 217 LEU CG . 17200 1 1070 . 1 1 94 94 LEU N N 15 121.89 0.4000 . 1 . . . . 217 LEU N . 17200 1 1071 . 1 1 95 95 GLU HA H 1 4.58 0.0300 . 1 . . . . 218 GLU HA . 17200 1 1072 . 1 1 95 95 GLU HB2 H 1 1.90 0.0300 . 2 . . . . 218 GLU HB2 . 17200 1 1073 . 1 1 95 95 GLU HB3 H 1 1.65 0.0300 . 2 . . . . 218 GLU HB3 . 17200 1 1074 . 1 1 95 95 GLU HG2 H 1 2.21 0.0300 . 2 . . . . 218 GLU HG2 . 17200 1 1075 . 1 1 95 95 GLU HG3 H 1 2.13 0.0300 . 2 . . . . 218 GLU HG3 . 17200 1 1076 . 1 1 95 95 GLU C C 13 175.11 0.4000 . 1 . . . . 218 GLU C . 17200 1 1077 . 1 1 95 95 GLU CA C 13 54.10 0.4000 . 1 . . . . 218 GLU CA . 17200 1 1078 . 1 1 95 95 GLU CB C 13 33.53 0.4000 . 1 . . . . 218 GLU CB . 17200 1 1079 . 1 1 95 95 GLU CG C 13 35.79 0.4000 . 1 . . . . 218 GLU CG . 17200 1 1080 . 1 1 96 96 VAL H H 1 8.54 0.0300 . 1 . . . . 219 VAL H . 17200 1 1081 . 1 1 96 96 VAL HA H 1 3.24 0.0300 . 1 . . . . 219 VAL HA . 17200 1 1082 . 1 1 96 96 VAL HB H 1 1.90 0.0300 . 1 . . . . 219 VAL HB . 17200 1 1083 . 1 1 96 96 VAL HG11 H 1 0.91 0.0300 . 2 . . . . 219 VAL HG1 . 17200 1 1084 . 1 1 96 96 VAL HG12 H 1 0.91 0.0300 . 2 . . . . 219 VAL HG1 . 17200 1 1085 . 1 1 96 96 VAL HG13 H 1 0.91 0.0300 . 2 . . . . 219 VAL HG1 . 17200 1 1086 . 1 1 96 96 VAL HG21 H 1 0.90 0.0300 . 2 . . . . 219 VAL HG2 . 17200 1 1087 . 1 1 96 96 VAL HG22 H 1 0.90 0.0300 . 2 . . . . 219 VAL HG2 . 17200 1 1088 . 1 1 96 96 VAL HG23 H 1 0.90 0.0300 . 2 . . . . 219 VAL HG2 . 17200 1 1089 . 1 1 96 96 VAL C C 13 177.22 0.4000 . 1 . . . . 219 VAL C . 17200 1 1090 . 1 1 96 96 VAL CA C 13 65.22 0.4000 . 1 . . . . 219 VAL CA . 17200 1 1091 . 1 1 96 96 VAL CB C 13 31.28 0.4000 . 1 . . . . 219 VAL CB . 17200 1 1092 . 1 1 96 96 VAL CG1 C 13 22.68 0.4000 . 1 . . . . 219 VAL CG1 . 17200 1 1093 . 1 1 96 96 VAL CG2 C 13 21.22 0.4000 . 1 . . . . 219 VAL CG2 . 17200 1 1094 . 1 1 96 96 VAL N N 15 121.64 0.4000 . 1 . . . . 219 VAL N . 17200 1 1095 . 1 1 97 97 GLY H H 1 8.99 0.0300 . 1 . . . . 220 GLY H . 17200 1 1096 . 1 1 97 97 GLY HA2 H 1 4.44 0.0300 . 2 . . . . 220 GLY HA2 . 17200 1 1097 . 1 1 97 97 GLY HA3 H 1 3.79 0.0300 . 2 . . . . 220 GLY HA3 . 17200 1 1098 . 1 1 97 97 GLY CA C 13 44.52 0.4000 . 1 . . . . 220 GLY CA . 17200 1 1099 . 1 1 97 97 GLY N N 15 116.25 0.4000 . 1 . . . . 220 GLY N . 17200 1 1100 . 1 1 98 98 GLN H H 1 7.66 0.0300 . 1 . . . . 221 GLN H . 17200 1 1101 . 1 1 98 98 GLN HA H 1 4.25 0.0300 . 1 . . . . 221 GLN HA . 17200 1 1102 . 1 1 98 98 GLN HB2 H 1 2.23 0.0300 . 1 . . . . 221 GLN HB2 . 17200 1 1103 . 1 1 98 98 GLN HB3 H 1 2.23 0.0300 . 1 . . . . 221 GLN HB3 . 17200 1 1104 . 1 1 98 98 GLN HE21 H 1 6.41 0.0300 . 2 . . . . 221 GLN HE21 . 17200 1 1105 . 1 1 98 98 GLN HE22 H 1 7.26 0.0300 . 2 . . . . 221 GLN HE22 . 17200 1 1106 . 1 1 98 98 GLN HG2 H 1 2.43 0.0300 . 2 . . . . 221 GLN HG2 . 17200 1 1107 . 1 1 98 98 GLN HG3 H 1 2.34 0.0300 . 2 . . . . 221 GLN HG3 . 17200 1 1108 . 1 1 98 98 GLN C C 13 175.08 0.4000 . 1 . . . . 221 GLN C . 17200 1 1109 . 1 1 98 98 GLN CA C 13 56.58 0.4000 . 1 . . . . 221 GLN CA . 17200 1 1110 . 1 1 98 98 GLN CB C 13 30.07 0.4000 . 1 . . . . 221 GLN CB . 17200 1 1111 . 1 1 98 98 GLN CG C 13 34.41 0.4000 . 1 . . . . 221 GLN CG . 17200 1 1112 . 1 1 98 98 GLN N N 15 120.58 0.4000 . 1 . . . . 221 GLN N . 17200 1 1113 . 1 1 98 98 GLN NE2 N 15 107.82 0.4000 . 1 . . . . 221 GLN NE2 . 17200 1 1114 . 1 1 99 99 VAL H H 1 8.33 0.0300 . 1 . . . . 222 VAL H . 17200 1 1115 . 1 1 99 99 VAL HA H 1 5.17 0.0300 . 1 . . . . 222 VAL HA . 17200 1 1116 . 1 1 99 99 VAL HB H 1 1.95 0.0300 . 1 . . . . 222 VAL HB . 17200 1 1117 . 1 1 99 99 VAL HG11 H 1 1.00 0.0300 . 2 . . . . 222 VAL HG1 . 17200 1 1118 . 1 1 99 99 VAL HG12 H 1 1.00 0.0300 . 2 . . . . 222 VAL HG1 . 17200 1 1119 . 1 1 99 99 VAL HG13 H 1 1.00 0.0300 . 2 . . . . 222 VAL HG1 . 17200 1 1120 . 1 1 99 99 VAL HG21 H 1 0.92 0.0300 . 2 . . . . 222 VAL HG2 . 17200 1 1121 . 1 1 99 99 VAL HG22 H 1 0.92 0.0300 . 2 . . . . 222 VAL HG2 . 17200 1 1122 . 1 1 99 99 VAL HG23 H 1 0.92 0.0300 . 2 . . . . 222 VAL HG2 . 17200 1 1123 . 1 1 99 99 VAL C C 13 176.12 0.4000 . 1 . . . . 222 VAL C . 17200 1 1124 . 1 1 99 99 VAL CA C 13 62.15 0.4000 . 1 . . . . 222 VAL CA . 17200 1 1125 . 1 1 99 99 VAL CB C 13 31.54 0.4000 . 1 . . . . 222 VAL CB . 17200 1 1126 . 1 1 99 99 VAL CG1 C 13 21.39 0.4000 . 1 . . . . 222 VAL CG1 . 17200 1 1127 . 1 1 99 99 VAL CG2 C 13 20.62 0.4000 . 1 . . . . 222 VAL CG2 . 17200 1 1128 . 1 1 99 99 VAL N N 15 124.73 0.4000 . 1 . . . . 222 VAL N . 17200 1 1129 . 1 1 100 100 VAL H H 1 9.12 0.0300 . 1 . . . . 223 VAL H . 17200 1 1130 . 1 1 100 100 VAL HA H 1 4.72 0.0300 . 1 . . . . 223 VAL HA . 17200 1 1131 . 1 1 100 100 VAL HB H 1 2.31 0.0300 . 1 . . . . 223 VAL HB . 17200 1 1132 . 1 1 100 100 VAL HG11 H 1 0.72 0.0300 . 2 . . . . 223 VAL HG1 . 17200 1 1133 . 1 1 100 100 VAL HG12 H 1 0.72 0.0300 . 2 . . . . 223 VAL HG1 . 17200 1 1134 . 1 1 100 100 VAL HG13 H 1 0.72 0.0300 . 2 . . . . 223 VAL HG1 . 17200 1 1135 . 1 1 100 100 VAL HG21 H 1 0.70 0.0300 . 2 . . . . 223 VAL HG2 . 17200 1 1136 . 1 1 100 100 VAL HG22 H 1 0.70 0.0300 . 2 . . . . 223 VAL HG2 . 17200 1 1137 . 1 1 100 100 VAL HG23 H 1 0.70 0.0300 . 2 . . . . 223 VAL HG2 . 17200 1 1138 . 1 1 100 100 VAL C C 13 172.08 0.4000 . 1 . . . . 223 VAL C . 17200 1 1139 . 1 1 100 100 VAL CA C 13 59.48 0.4000 . 1 . . . . 223 VAL CA . 17200 1 1140 . 1 1 100 100 VAL CB C 13 35.59 0.4000 . 1 . . . . 223 VAL CB . 17200 1 1141 . 1 1 100 100 VAL CG1 C 13 22.17 0.4000 . 1 . . . . 223 VAL CG1 . 17200 1 1142 . 1 1 100 100 VAL CG2 C 13 18.27 0.4000 . 1 . . . . 223 VAL CG2 . 17200 1 1143 . 1 1 100 100 VAL N N 15 121.95 0.4000 . 1 . . . . 223 VAL N . 17200 1 1144 . 1 1 101 101 MET H H 1 8.94 0.0300 . 1 . . . . 224 MET H . 17200 1 1145 . 1 1 101 101 MET HA H 1 5.77 0.0300 . 1 . . . . 224 MET HA . 17200 1 1146 . 1 1 101 101 MET HB2 H 1 1.69 0.0300 . 1 . . . . 224 MET HB2 . 17200 1 1147 . 1 1 101 101 MET HB3 H 1 1.69 0.0300 . 1 . . . . 224 MET HB3 . 17200 1 1148 . 1 1 101 101 MET HG2 H 1 2.55 0.0300 . 2 . . . . 224 MET HG2 . 17200 1 1149 . 1 1 101 101 MET HG3 H 1 2.45 0.0300 . 2 . . . . 224 MET HG3 . 17200 1 1150 . 1 1 101 101 MET C C 13 174.17 0.4000 . 1 . . . . 224 MET C . 17200 1 1151 . 1 1 101 101 MET CA C 13 54.59 0.4000 . 1 . . . . 224 MET CA . 17200 1 1152 . 1 1 101 101 MET CB C 13 34.80 0.4000 . 1 . . . . 224 MET CB . 17200 1 1153 . 1 1 101 101 MET CG C 13 32.17 0.4000 . 1 . . . . 224 MET CG . 17200 1 1154 . 1 1 101 101 MET N N 15 120.22 0.4000 . 1 . . . . 224 MET N . 17200 1 1155 . 1 1 102 102 LEU H H 1 9.75 0.0300 . 1 . . . . 225 LEU H . 17200 1 1156 . 1 1 102 102 LEU HA H 1 5.60 0.0300 . 1 . . . . 225 LEU HA . 17200 1 1157 . 1 1 102 102 LEU HB2 H 1 2.17 0.0300 . 1 . . . . 225 LEU HB2 . 17200 1 1158 . 1 1 102 102 LEU HB3 H 1 2.17 0.0300 . 1 . . . . 225 LEU HB3 . 17200 1 1159 . 1 1 102 102 LEU HD11 H 1 0.64 0.0300 . 2 . . . . 225 LEU HD1 . 17200 1 1160 . 1 1 102 102 LEU HD12 H 1 0.64 0.0300 . 2 . . . . 225 LEU HD1 . 17200 1 1161 . 1 1 102 102 LEU HD13 H 1 0.64 0.0300 . 2 . . . . 225 LEU HD1 . 17200 1 1162 . 1 1 102 102 LEU HD21 H 1 0.80 0.0300 . 2 . . . . 225 LEU HD2 . 17200 1 1163 . 1 1 102 102 LEU HD22 H 1 0.80 0.0300 . 2 . . . . 225 LEU HD2 . 17200 1 1164 . 1 1 102 102 LEU HD23 H 1 0.80 0.0300 . 2 . . . . 225 LEU HD2 . 17200 1 1165 . 1 1 102 102 LEU C C 13 173.77 0.4000 . 1 . . . . 225 LEU C . 17200 1 1166 . 1 1 102 102 LEU CA C 13 53.89 0.4000 . 1 . . . . 225 LEU CA . 17200 1 1167 . 1 1 102 102 LEU CB C 13 44.37 0.4000 . 1 . . . . 225 LEU CB . 17200 1 1168 . 1 1 102 102 LEU CD1 C 13 27.30 0.4000 . 1 . . . . 225 LEU CD1 . 17200 1 1169 . 1 1 102 102 LEU CD2 C 13 22.32 0.4000 . 1 . . . . 225 LEU CD2 . 17200 1 1170 . 1 1 102 102 LEU N N 15 122.93 0.4000 . 1 . . . . 225 LEU N . 17200 1 1171 . 1 1 103 103 ASN H H 1 8.99 0.0300 . 1 . . . . 226 ASN H . 17200 1 1172 . 1 1 103 103 ASN HA H 1 5.01 0.0300 . 1 . . . . 226 ASN HA . 17200 1 1173 . 1 1 103 103 ASN HB2 H 1 0.26 0.0300 . 1 . . . . 226 ASN HB2 . 17200 1 1174 . 1 1 103 103 ASN HB3 H 1 0.26 0.0300 . 1 . . . . 226 ASN HB3 . 17200 1 1175 . 1 1 103 103 ASN HD21 H 1 6.82 0.0300 . 2 . . . . 226 ASN HD21 . 17200 1 1176 . 1 1 103 103 ASN HD22 H 1 7.50 0.0300 . 2 . . . . 226 ASN HD22 . 17200 1 1177 . 1 1 103 103 ASN C C 13 173.89 0.4000 . 1 . . . . 226 ASN C . 17200 1 1178 . 1 1 103 103 ASN CA C 13 52.10 0.4000 . 1 . . . . 226 ASN CA . 17200 1 1179 . 1 1 103 103 ASN CB C 13 40.30 0.4000 . 1 . . . . 226 ASN CB . 17200 1 1180 . 1 1 103 103 ASN N N 15 121.60 0.4000 . 1 . . . . 226 ASN N . 17200 1 1181 . 1 1 103 103 ASN ND2 N 15 112.24 0.4000 . 1 . . . . 226 ASN ND2 . 17200 1 1182 . 1 1 104 104 TYR H H 1 9.28 0.0300 . 1 . . . . 227 TYR H . 17200 1 1183 . 1 1 104 104 TYR HA H 1 4.76 0.0300 . 1 . . . . 227 TYR HA . 17200 1 1184 . 1 1 104 104 TYR HB2 H 1 2.52 0.0300 . 1 . . . . 227 TYR HB2 . 17200 1 1185 . 1 1 104 104 TYR HB3 H 1 2.52 0.0300 . 1 . . . . 227 TYR HB3 . 17200 1 1186 . 1 1 104 104 TYR HD1 H 1 7.29 0.0300 . 1 . . . . 227 TYR HD1 . 17200 1 1187 . 1 1 104 104 TYR HD2 H 1 7.29 0.0300 . 1 . . . . 227 TYR HD2 . 17200 1 1188 . 1 1 104 104 TYR HE1 H 1 6.82 0.0300 . 1 . . . . 227 TYR HE1 . 17200 1 1189 . 1 1 104 104 TYR HE2 H 1 6.82 0.0300 . 1 . . . . 227 TYR HE2 . 17200 1 1190 . 1 1 104 104 TYR C C 13 173.11 0.4000 . 1 . . . . 227 TYR C . 17200 1 1191 . 1 1 104 104 TYR CA C 13 57.96 0.4000 . 1 . . . . 227 TYR CA . 17200 1 1192 . 1 1 104 104 TYR CB C 13 43.05 0.4000 . 1 . . . . 227 TYR CB . 17200 1 1193 . 1 1 104 104 TYR CD1 C 13 132.75 0.4000 . 1 . . . . 227 TYR CD1 . 17200 1 1194 . 1 1 104 104 TYR CE1 C 13 118.11 0.4000 . 1 . . . . 227 TYR CE1 . 17200 1 1195 . 1 1 104 104 TYR N N 15 125.33 0.4000 . 1 . . . . 227 TYR N . 17200 1 1196 . 1 1 105 105 ASN H H 1 7.43 0.0300 . 1 . . . . 228 ASN H . 17200 1 1197 . 1 1 105 105 ASN HA H 1 5.09 0.0300 . 1 . . . . 228 ASN HA . 17200 1 1198 . 1 1 105 105 ASN HB2 H 1 1.69 0.0300 . 2 . . . . 228 ASN HB2 . 17200 1 1199 . 1 1 105 105 ASN HB3 H 1 3.49 0.0300 . 2 . . . . 228 ASN HB3 . 17200 1 1200 . 1 1 105 105 ASN HD21 H 1 7.23 0.0300 . 2 . . . . 228 ASN HD21 . 17200 1 1201 . 1 1 105 105 ASN HD22 H 1 7.38 0.0300 . 2 . . . . 228 ASN HD22 . 17200 1 1202 . 1 1 105 105 ASN CA C 13 48.84 0.4000 . 1 . . . . 228 ASN CA . 17200 1 1203 . 1 1 105 105 ASN CB C 13 40.39 0.4000 . 1 . . . . 228 ASN CB . 17200 1 1204 . 1 1 105 105 ASN N N 15 126.33 0.4000 . 1 . . . . 228 ASN N . 17200 1 1205 . 1 1 105 105 ASN ND2 N 15 112.21 0.4000 . 1 . . . . 228 ASN ND2 . 17200 1 1206 . 1 1 106 106 PRO HA H 1 4.09 0.0300 . 1 . . . . 229 PRO HA . 17200 1 1207 . 1 1 106 106 PRO HB2 H 1 2.24 0.0300 . 2 . . . . 229 PRO HB2 . 17200 1 1208 . 1 1 106 106 PRO HB3 H 1 2.02 0.0300 . 2 . . . . 229 PRO HB3 . 17200 1 1209 . 1 1 106 106 PRO HD2 H 1 4.00 0.0300 . 1 . . . . 229 PRO HD2 . 17200 1 1210 . 1 1 106 106 PRO HD3 H 1 4.00 0.0300 . 1 . . . . 229 PRO HD3 . 17200 1 1211 . 1 1 106 106 PRO HG2 H 1 2.21 0.0300 . 2 . . . . 229 PRO HG2 . 17200 1 1212 . 1 1 106 106 PRO HG3 H 1 1.91 0.0300 . 2 . . . . 229 PRO HG3 . 17200 1 1213 . 1 1 106 106 PRO C C 13 177.65 0.4000 . 1 . . . . 229 PRO C . 17200 1 1214 . 1 1 106 106 PRO CA C 13 64.46 0.4000 . 1 . . . . 229 PRO CA . 17200 1 1215 . 1 1 106 106 PRO CB C 13 32.22 0.4000 . 1 . . . . 229 PRO CB . 17200 1 1216 . 1 1 106 106 PRO CD C 13 50.77 0.4000 . 1 . . . . 229 PRO CD . 17200 1 1217 . 1 1 106 106 PRO CG C 13 27.39 0.4000 . 1 . . . . 229 PRO CG . 17200 1 1218 . 1 1 107 107 ASP H H 1 7.53 0.0300 . 1 . . . . 230 ASP H . 17200 1 1219 . 1 1 107 107 ASP HA H 1 4.59 0.0300 . 1 . . . . 230 ASP HA . 17200 1 1220 . 1 1 107 107 ASP HB2 H 1 2.69 0.0300 . 2 . . . . 230 ASP HB2 . 17200 1 1221 . 1 1 107 107 ASP HB3 H 1 2.59 0.0300 . 2 . . . . 230 ASP HB3 . 17200 1 1222 . 1 1 107 107 ASP C C 13 176.02 0.4000 . 1 . . . . 230 ASP C . 17200 1 1223 . 1 1 107 107 ASP CA C 13 55.76 0.4000 . 1 . . . . 230 ASP CA . 17200 1 1224 . 1 1 107 107 ASP CB C 13 41.87 0.4000 . 1 . . . . 230 ASP CB . 17200 1 1225 . 1 1 107 107 ASP N N 15 114.55 0.4000 . 1 . . . . 230 ASP N . 17200 1 1226 . 1 1 108 108 ASN H H 1 7.07 0.0300 . 1 . . . . 231 ASN H . 17200 1 1227 . 1 1 108 108 ASN HA H 1 4.88 0.0300 . 1 . . . . 231 ASN HA . 17200 1 1228 . 1 1 108 108 ASN HB2 H 1 2.63 0.0300 . 2 . . . . 231 ASN HB2 . 17200 1 1229 . 1 1 108 108 ASN HB3 H 1 2.39 0.0300 . 2 . . . . 231 ASN HB3 . 17200 1 1230 . 1 1 108 108 ASN HD21 H 1 6.90 0.0300 . 2 . . . . 231 ASN HD21 . 17200 1 1231 . 1 1 108 108 ASN HD22 H 1 7.48 0.0300 . 2 . . . . 231 ASN HD22 . 17200 1 1232 . 1 1 108 108 ASN CA C 13 51.02 0.4000 . 1 . . . . 231 ASN CA . 17200 1 1233 . 1 1 108 108 ASN CB C 13 38.71 0.4000 . 1 . . . . 231 ASN CB . 17200 1 1234 . 1 1 108 108 ASN N N 15 116.39 0.4000 . 1 . . . . 231 ASN N . 17200 1 1235 . 1 1 108 108 ASN ND2 N 15 112.88 0.4000 . 1 . . . . 231 ASN ND2 . 17200 1 1236 . 1 1 109 109 PRO HA H 1 4.61 0.0300 . 1 . . . . 232 PRO HA . 17200 1 1237 . 1 1 109 109 PRO HB2 H 1 2.58 0.0300 . 2 . . . . 232 PRO HB2 . 17200 1 1238 . 1 1 109 109 PRO HB3 H 1 1.98 0.0300 . 2 . . . . 232 PRO HB3 . 17200 1 1239 . 1 1 109 109 PRO HD2 H 1 3.59 0.0300 . 2 . . . . 232 PRO HD2 . 17200 1 1240 . 1 1 109 109 PRO HD3 H 1 3.43 0.0300 . 2 . . . . 232 PRO HD3 . 17200 1 1241 . 1 1 109 109 PRO HG2 H 1 2.00 0.0300 . 1 . . . . 232 PRO HG2 . 17200 1 1242 . 1 1 109 109 PRO HG3 H 1 2.00 0.0300 . 1 . . . . 232 PRO HG3 . 17200 1 1243 . 1 1 109 109 PRO C C 13 178.95 0.4000 . 1 . . . . 232 PRO C . 17200 1 1244 . 1 1 109 109 PRO CA C 13 65.12 0.4000 . 1 . . . . 232 PRO CA . 17200 1 1245 . 1 1 109 109 PRO CB C 13 33.16 0.4000 . 1 . . . . 232 PRO CB . 17200 1 1246 . 1 1 109 109 PRO CD C 13 50.56 0.4000 . 1 . . . . 232 PRO CD . 17200 1 1247 . 1 1 109 109 PRO CG C 13 27.03 0.4000 . 1 . . . . 232 PRO CG . 17200 1 1248 . 1 1 110 110 LYS H H 1 8.12 0.0300 . 1 . . . . 233 LYS H . 17200 1 1249 . 1 1 110 110 LYS HA H 1 4.28 0.0300 . 1 . . . . 233 LYS HA . 17200 1 1250 . 1 1 110 110 LYS HB2 H 1 1.97 0.0300 . 2 . . . . 233 LYS HB2 . 17200 1 1251 . 1 1 110 110 LYS HB3 H 1 1.76 0.0300 . 2 . . . . 233 LYS HB3 . 17200 1 1252 . 1 1 110 110 LYS HD2 H 1 1.66 0.0300 . 1 . . . . 233 LYS HD2 . 17200 1 1253 . 1 1 110 110 LYS HD3 H 1 1.66 0.0300 . 1 . . . . 233 LYS HD3 . 17200 1 1254 . 1 1 110 110 LYS HE2 H 1 2.99 0.0300 . 1 . . . . 233 LYS HE2 . 17200 1 1255 . 1 1 110 110 LYS HE3 H 1 2.99 0.0300 . 1 . . . . 233 LYS HE3 . 17200 1 1256 . 1 1 110 110 LYS HG2 H 1 1.48 0.0300 . 2 . . . . 233 LYS HG2 . 17200 1 1257 . 1 1 110 110 LYS HG3 H 1 1.37 0.0300 . 2 . . . . 233 LYS HG3 . 17200 1 1258 . 1 1 110 110 LYS C C 13 175.78 0.4000 . 1 . . . . 233 LYS C . 17200 1 1259 . 1 1 110 110 LYS CA C 13 56.90 0.4000 . 1 . . . . 233 LYS CA . 17200 1 1260 . 1 1 110 110 LYS CB C 13 32.10 0.4000 . 1 . . . . 233 LYS CB . 17200 1 1261 . 1 1 110 110 LYS CD C 13 29.04 0.4000 . 1 . . . . 233 LYS CD . 17200 1 1262 . 1 1 110 110 LYS CE C 13 41.96 0.4000 . 1 . . . . 233 LYS CE . 17200 1 1263 . 1 1 110 110 LYS CG C 13 25.56 0.4000 . 1 . . . . 233 LYS CG . 17200 1 1264 . 1 1 110 110 LYS N N 15 118.49 0.4000 . 1 . . . . 233 LYS N . 17200 1 1265 . 1 1 111 111 GLU H H 1 8.08 0.0300 . 1 . . . . 234 GLU H . 17200 1 1266 . 1 1 111 111 GLU HA H 1 4.66 0.0300 . 1 . . . . 234 GLU HA . 17200 1 1267 . 1 1 111 111 GLU HB2 H 1 2.28 0.0300 . 1 . . . . 234 GLU HB2 . 17200 1 1268 . 1 1 111 111 GLU HB3 H 1 2.28 0.0300 . 1 . . . . 234 GLU HB3 . 17200 1 1269 . 1 1 111 111 GLU HG2 H 1 2.07 0.0300 . 1 . . . . 234 GLU HG2 . 17200 1 1270 . 1 1 111 111 GLU HG3 H 1 2.07 0.0300 . 1 . . . . 234 GLU HG3 . 17200 1 1271 . 1 1 111 111 GLU C C 13 175.76 0.4000 . 1 . . . . 234 GLU C . 17200 1 1272 . 1 1 111 111 GLU CA C 13 54.18 0.4000 . 1 . . . . 234 GLU CA . 17200 1 1273 . 1 1 111 111 GLU CB C 13 32.91 0.4000 . 1 . . . . 234 GLU CB . 17200 1 1274 . 1 1 111 111 GLU CG C 13 35.90 0.4000 . 1 . . . . 234 GLU CG . 17200 1 1275 . 1 1 111 111 GLU N N 15 117.01 0.4000 . 1 . . . . 234 GLU N . 17200 1 1276 . 1 1 112 112 ARG H H 1 8.66 0.0300 . 1 . . . . 235 ARG H . 17200 1 1277 . 1 1 112 112 ARG HA H 1 3.87 0.0300 . 1 . . . . 235 ARG HA . 17200 1 1278 . 1 1 112 112 ARG C C 13 176.61 0.4000 . 1 . . . . 235 ARG C . 17200 1 1279 . 1 1 112 112 ARG CA C 13 56.76 0.4000 . 1 . . . . 235 ARG CA . 17200 1 1280 . 1 1 112 112 ARG N N 15 119.54 0.4000 . 1 . . . . 235 ARG N . 17200 1 1281 . 1 1 113 113 GLY H H 1 9.32 0.0300 . 1 . . . . 236 GLY H . 17200 1 1282 . 1 1 113 113 GLY HA2 H 1 4.06 0.0300 . 2 . . . . 236 GLY HA2 . 17200 1 1283 . 1 1 113 113 GLY HA3 H 1 4.00 0.0300 . 2 . . . . 236 GLY HA3 . 17200 1 1284 . 1 1 113 113 GLY C C 13 176.01 0.4000 . 1 . . . . 236 GLY C . 17200 1 1285 . 1 1 113 113 GLY CA C 13 44.81 0.4000 . 1 . . . . 236 GLY CA . 17200 1 1286 . 1 1 113 113 GLY N N 15 117.24 0.4000 . 1 . . . . 236 GLY N . 17200 1 1287 . 1 1 114 114 PHE H H 1 8.02 0.0300 . 1 . . . . 237 PHE H . 17200 1 1288 . 1 1 114 114 PHE HD1 H 1 7.33 0.0300 . 1 . . . . 237 PHE HD1 . 17200 1 1289 . 1 1 114 114 PHE HD2 H 1 7.33 0.0300 . 1 . . . . 237 PHE HD2 . 17200 1 1290 . 1 1 114 114 PHE HE1 H 1 7.23 0.0300 . 1 . . . . 237 PHE HE1 . 17200 1 1291 . 1 1 114 114 PHE HE2 H 1 7.23 0.0300 . 1 . . . . 237 PHE HE2 . 17200 1 1292 . 1 1 114 114 PHE CD1 C 13 131.59 0.4000 . 1 . . . . 237 PHE CD1 . 17200 1 1293 . 1 1 114 114 PHE CE1 C 13 129.65 0.4000 . 1 . . . . 237 PHE CE1 . 17200 1 1294 . 1 1 114 114 PHE N N 15 130.52 0.4000 . 1 . . . . 237 PHE N . 17200 1 1295 . 1 1 115 115 TRP HA H 1 5.09 0.0300 . 1 . . . . 238 TRP HA . 17200 1 1296 . 1 1 115 115 TRP HB2 H 1 3.40 0.0300 . 2 . . . . 238 TRP HB2 . 17200 1 1297 . 1 1 115 115 TRP HB3 H 1 3.12 0.0300 . 2 . . . . 238 TRP HB3 . 17200 1 1298 . 1 1 115 115 TRP C C 13 174.43 0.4000 . 1 . . . . 238 TRP C . 17200 1 1299 . 1 1 115 115 TRP CA C 13 56.30 0.4000 . 1 . . . . 238 TRP CA . 17200 1 1300 . 1 1 115 115 TRP CB C 13 28.90 0.4000 . 1 . . . . 238 TRP CB . 17200 1 1301 . 1 1 116 116 TYR H H 1 9.59 0.0300 . 1 . . . . 239 TYR H . 17200 1 1302 . 1 1 116 116 TYR HA H 1 5.28 0.0300 . 1 . . . . 239 TYR HA . 17200 1 1303 . 1 1 116 116 TYR HB2 H 1 2.39 0.0300 . 2 . . . . 239 TYR HB2 . 17200 1 1304 . 1 1 116 116 TYR HB3 H 1 3.64 0.0300 . 2 . . . . 239 TYR HB3 . 17200 1 1305 . 1 1 116 116 TYR HD1 H 1 7.24 0.0300 . 1 . . . . 239 TYR HD1 . 17200 1 1306 . 1 1 116 116 TYR HD2 H 1 7.24 0.0300 . 1 . . . . 239 TYR HD2 . 17200 1 1307 . 1 1 116 116 TYR HE1 H 1 7.12 0.0300 . 1 . . . . 239 TYR HE1 . 17200 1 1308 . 1 1 116 116 TYR HE2 H 1 7.12 0.0300 . 1 . . . . 239 TYR HE2 . 17200 1 1309 . 1 1 116 116 TYR C C 13 175.90 0.4000 . 1 . . . . 239 TYR C . 17200 1 1310 . 1 1 116 116 TYR CA C 13 57.10 0.4000 . 1 . . . . 239 TYR CA . 17200 1 1311 . 1 1 116 116 TYR CB C 13 44.56 0.4000 . 1 . . . . 239 TYR CB . 17200 1 1312 . 1 1 116 116 TYR CD1 C 13 131.62 0.4000 . 1 . . . . 239 TYR CD1 . 17200 1 1313 . 1 1 116 116 TYR CE1 C 13 118.25 0.4000 . 1 . . . . 239 TYR CE1 . 17200 1 1314 . 1 1 116 116 TYR N N 15 121.95 0.4000 . 1 . . . . 239 TYR N . 17200 1 1315 . 1 1 117 117 ASP H H 1 9.24 0.0300 . 1 . . . . 240 ASP H . 17200 1 1316 . 1 1 117 117 ASP HA H 1 5.66 0.0300 . 1 . . . . 240 ASP HA . 17200 1 1317 . 1 1 117 117 ASP HB2 H 1 2.52 0.0300 . 2 . . . . 240 ASP HB2 . 17200 1 1318 . 1 1 117 117 ASP HB3 H 1 2.73 0.0300 . 2 . . . . 240 ASP HB3 . 17200 1 1319 . 1 1 117 117 ASP C C 13 176.78 0.4000 . 1 . . . . 240 ASP C . 17200 1 1320 . 1 1 117 117 ASP CA C 13 54.45 0.4000 . 1 . . . . 240 ASP CA . 17200 1 1321 . 1 1 117 117 ASP CB C 13 40.78 0.4000 . 1 . . . . 240 ASP CB . 17200 1 1322 . 1 1 117 117 ASP N N 15 122.60 0.4000 . 1 . . . . 240 ASP N . 17200 1 1323 . 1 1 118 118 ALA H H 1 9.43 0.0300 . 1 . . . . 241 ALA H . 17200 1 1324 . 1 1 118 118 ALA HA H 1 5.17 0.0300 . 1 . . . . 241 ALA HA . 17200 1 1325 . 1 1 118 118 ALA HB1 H 1 1.17 0.0300 . 1 . . . . 241 ALA HB . 17200 1 1326 . 1 1 118 118 ALA HB2 H 1 1.17 0.0300 . 1 . . . . 241 ALA HB . 17200 1 1327 . 1 1 118 118 ALA HB3 H 1 1.17 0.0300 . 1 . . . . 241 ALA HB . 17200 1 1328 . 1 1 118 118 ALA C C 13 174.51 0.4000 . 1 . . . . 241 ALA C . 17200 1 1329 . 1 1 118 118 ALA CA C 13 51.11 0.4000 . 1 . . . . 241 ALA CA . 17200 1 1330 . 1 1 118 118 ALA CB C 13 24.94 0.4000 . 1 . . . . 241 ALA CB . 17200 1 1331 . 1 1 118 118 ALA N N 15 120.87 0.4000 . 1 . . . . 241 ALA N . 17200 1 1332 . 1 1 119 119 GLU H H 1 8.30 0.0300 . 1 . . . . 242 GLU H . 17200 1 1333 . 1 1 119 119 GLU HA H 1 5.25 0.0300 . 1 . . . . 242 GLU HA . 17200 1 1334 . 1 1 119 119 GLU HB2 H 1 2.01 0.0300 . 1 . . . . 242 GLU HB2 . 17200 1 1335 . 1 1 119 119 GLU HB3 H 1 2.01 0.0300 . 1 . . . . 242 GLU HB3 . 17200 1 1336 . 1 1 119 119 GLU HG2 H 1 2.02 0.0300 . 1 . . . . 242 GLU HG2 . 17200 1 1337 . 1 1 119 119 GLU HG3 H 1 2.02 0.0300 . 1 . . . . 242 GLU HG3 . 17200 1 1338 . 1 1 119 119 GLU C C 13 177.00 0.4000 . 1 . . . . 242 GLU C . 17200 1 1339 . 1 1 119 119 GLU CA C 13 53.22 0.4000 . 1 . . . . 242 GLU CA . 17200 1 1340 . 1 1 119 119 GLU CB C 13 33.04 0.4000 . 1 . . . . 242 GLU CB . 17200 1 1341 . 1 1 119 119 GLU CG C 13 35.81 0.4000 . 1 . . . . 242 GLU CG . 17200 1 1342 . 1 1 119 119 GLU N N 15 120.19 0.4000 . 1 . . . . 242 GLU N . 17200 1 1343 . 1 1 120 120 ILE H H 1 9.02 0.0300 . 1 . . . . 243 ILE H . 17200 1 1344 . 1 1 120 120 ILE HA H 1 3.94 0.0300 . 1 . . . . 243 ILE HA . 17200 1 1345 . 1 1 120 120 ILE HB H 1 2.39 0.0300 . 1 . . . . 243 ILE HB . 17200 1 1346 . 1 1 120 120 ILE HD11 H 1 0.86 0.0300 . 1 . . . . 243 ILE HD1 . 17200 1 1347 . 1 1 120 120 ILE HD12 H 1 0.86 0.0300 . 1 . . . . 243 ILE HD1 . 17200 1 1348 . 1 1 120 120 ILE HD13 H 1 0.86 0.0300 . 1 . . . . 243 ILE HD1 . 17200 1 1349 . 1 1 120 120 ILE HG21 H 1 0.83 0.0300 . 1 . . . . 243 ILE HG2 . 17200 1 1350 . 1 1 120 120 ILE HG22 H 1 0.83 0.0300 . 1 . . . . 243 ILE HG2 . 17200 1 1351 . 1 1 120 120 ILE HG23 H 1 0.83 0.0300 . 1 . . . . 243 ILE HG2 . 17200 1 1352 . 1 1 120 120 ILE C C 13 176.30 0.4000 . 1 . . . . 243 ILE C . 17200 1 1353 . 1 1 120 120 ILE CA C 13 62.59 0.4000 . 1 . . . . 243 ILE CA . 17200 1 1354 . 1 1 120 120 ILE CB C 13 36.00 0.4000 . 1 . . . . 243 ILE CB . 17200 1 1355 . 1 1 120 120 ILE CD1 C 13 12.25 0.4000 . 1 . . . . 243 ILE CD1 . 17200 1 1356 . 1 1 120 120 ILE CG2 C 13 17.89 0.4000 . 1 . . . . 243 ILE CG2 . 17200 1 1357 . 1 1 120 120 ILE N N 15 127.06 0.4000 . 1 . . . . 243 ILE N . 17200 1 1358 . 1 1 121 121 SER H H 1 9.85 0.0300 . 1 . . . . 244 SER H . 17200 1 1359 . 1 1 121 121 SER HA H 1 4.69 0.0300 . 1 . . . . 244 SER HA . 17200 1 1360 . 1 1 121 121 SER HB2 H 1 3.98 0.0300 . 2 . . . . 244 SER HB2 . 17200 1 1361 . 1 1 121 121 SER HB3 H 1 3.57 0.0300 . 2 . . . . 244 SER HB3 . 17200 1 1362 . 1 1 121 121 SER C C 13 174.83 0.4000 . 1 . . . . 244 SER C . 17200 1 1363 . 1 1 121 121 SER CA C 13 59.11 0.4000 . 1 . . . . 244 SER CA . 17200 1 1364 . 1 1 121 121 SER CB C 13 65.52 0.4000 . 1 . . . . 244 SER CB . 17200 1 1365 . 1 1 121 121 SER N N 15 127.26 0.4000 . 1 . . . . 244 SER N . 17200 1 1366 . 1 1 122 122 ARG H H 1 7.78 0.0300 . 1 . . . . 245 ARG H . 17200 1 1367 . 1 1 122 122 ARG HA H 1 4.41 0.0300 . 1 . . . . 245 ARG HA . 17200 1 1368 . 1 1 122 122 ARG HB2 H 1 1.88 0.0300 . 2 . . . . 245 ARG HB2 . 17200 1 1369 . 1 1 122 122 ARG HB3 H 1 1.66 0.0300 . 2 . . . . 245 ARG HB3 . 17200 1 1370 . 1 1 122 122 ARG HD2 H 1 2.88 0.0300 . 2 . . . . 245 ARG HD2 . 17200 1 1371 . 1 1 122 122 ARG HD3 H 1 2.69 0.0300 . 2 . . . . 245 ARG HD3 . 17200 1 1372 . 1 1 122 122 ARG HG2 H 1 1.60 0.0300 . 2 . . . . 245 ARG HG2 . 17200 1 1373 . 1 1 122 122 ARG HG3 H 1 1.42 0.0300 . 2 . . . . 245 ARG HG3 . 17200 1 1374 . 1 1 122 122 ARG CA C 13 56.88 0.4000 . 1 . . . . 245 ARG CA . 17200 1 1375 . 1 1 122 122 ARG CB C 13 34.03 0.4000 . 1 . . . . 245 ARG CB . 17200 1 1376 . 1 1 122 122 ARG CD C 13 43.48 0.4000 . 1 . . . . 245 ARG CD . 17200 1 1377 . 1 1 122 122 ARG CG C 13 27.60 0.4000 . 1 . . . . 245 ARG CG . 17200 1 1378 . 1 1 122 122 ARG N N 15 121.66 0.4000 . 1 . . . . 245 ARG N . 17200 1 1379 . 1 1 123 123 LYS H H 1 8.64 0.0300 . 1 . . . . 246 LYS H . 17200 1 1380 . 1 1 123 123 LYS HA H 1 5.21 0.0300 . 1 . . . . 246 LYS HA . 17200 1 1381 . 1 1 123 123 LYS HB2 H 1 1.32 0.0300 . 2 . . . . 246 LYS HB2 . 17200 1 1382 . 1 1 123 123 LYS HB3 H 1 1.64 0.0300 . 2 . . . . 246 LYS HB3 . 17200 1 1383 . 1 1 123 123 LYS HD2 H 1 1.14 0.0300 . 2 . . . . 246 LYS HD2 . 17200 1 1384 . 1 1 123 123 LYS HD3 H 1 0.73 0.0300 . 2 . . . . 246 LYS HD3 . 17200 1 1385 . 1 1 123 123 LYS HG2 H 1 0.91 0.0300 . 2 . . . . 246 LYS HG2 . 17200 1 1386 . 1 1 123 123 LYS HG3 H 1 1.01 0.0300 . 2 . . . . 246 LYS HG3 . 17200 1 1387 . 1 1 123 123 LYS CA C 13 55.76 0.4000 . 1 . . . . 246 LYS CA . 17200 1 1388 . 1 1 123 123 LYS CB C 13 36.40 0.4000 . 1 . . . . 246 LYS CB . 17200 1 1389 . 1 1 123 123 LYS CD C 13 29.68 0.4000 . 1 . . . . 246 LYS CD . 17200 1 1390 . 1 1 123 123 LYS CE C 13 40.65 0.4000 . 1 . . . . 246 LYS CE . 17200 1 1391 . 1 1 123 123 LYS CG C 13 25.76 0.4000 . 1 . . . . 246 LYS CG . 17200 1 1392 . 1 1 123 123 LYS N N 15 125.08 0.4000 . 1 . . . . 246 LYS N . 17200 1 1393 . 1 1 124 124 ARG HA H 1 4.90 0.0300 . 1 . . . . 247 ARG HA . 17200 1 1394 . 1 1 124 124 ARG HB2 H 1 2.00 0.0300 . 2 . . . . 247 ARG HB2 . 17200 1 1395 . 1 1 124 124 ARG HB3 H 1 1.83 0.0300 . 2 . . . . 247 ARG HB3 . 17200 1 1396 . 1 1 124 124 ARG HD2 H 1 3.20 0.0300 . 1 . . . . 247 ARG HD2 . 17200 1 1397 . 1 1 124 124 ARG HD3 H 1 3.20 0.0300 . 1 . . . . 247 ARG HD3 . 17200 1 1398 . 1 1 124 124 ARG HG2 H 1 1.64 0.0300 . 2 . . . . 247 ARG HG2 . 17200 1 1399 . 1 1 124 124 ARG HG3 H 1 1.56 0.0300 . 2 . . . . 247 ARG HG3 . 17200 1 1400 . 1 1 124 124 ARG C C 13 173.41 0.4000 . 1 . . . . 247 ARG C . 17200 1 1401 . 1 1 124 124 ARG CA C 13 55.53 0.4000 . 1 . . . . 247 ARG CA . 17200 1 1402 . 1 1 124 124 ARG CB C 13 34.07 0.4000 . 1 . . . . 247 ARG CB . 17200 1 1403 . 1 1 124 124 ARG CD C 13 43.71 0.4000 . 1 . . . . 247 ARG CD . 17200 1 1404 . 1 1 124 124 ARG CG C 13 27.24 0.4000 . 1 . . . . 247 ARG CG . 17200 1 1405 . 1 1 125 125 GLU H H 1 8.98 0.0300 . 1 . . . . 248 GLU H . 17200 1 1406 . 1 1 125 125 GLU HA H 1 5.20 0.0300 . 1 . . . . 248 GLU HA . 17200 1 1407 . 1 1 125 125 GLU HB2 H 1 2.23 0.0300 . 1 . . . . 248 GLU HB2 . 17200 1 1408 . 1 1 125 125 GLU HB3 H 1 2.23 0.0300 . 1 . . . . 248 GLU HB3 . 17200 1 1409 . 1 1 125 125 GLU HG2 H 1 2.38 0.0300 . 1 . . . . 248 GLU HG2 . 17200 1 1410 . 1 1 125 125 GLU HG3 H 1 2.38 0.0300 . 1 . . . . 248 GLU HG3 . 17200 1 1411 . 1 1 125 125 GLU C C 13 175.48 0.4000 . 1 . . . . 248 GLU C . 17200 1 1412 . 1 1 125 125 GLU CA C 13 55.56 0.4000 . 1 . . . . 248 GLU CA . 17200 1 1413 . 1 1 125 125 GLU CB C 13 32.56 0.4000 . 1 . . . . 248 GLU CB . 17200 1 1414 . 1 1 125 125 GLU CG C 13 36.81 0.4000 . 1 . . . . 248 GLU CG . 17200 1 1415 . 1 1 125 125 GLU N N 15 124.47 0.4000 . 1 . . . . 248 GLU N . 17200 1 1416 . 1 1 126 126 THR H H 1 8.86 0.0300 . 1 . . . . 249 THR H . 17200 1 1417 . 1 1 126 126 THR HA H 1 4.83 0.0300 . 1 . . . . 249 THR HA . 17200 1 1418 . 1 1 126 126 THR HB H 1 4.73 0.0300 . 1 . . . . 249 THR HB . 17200 1 1419 . 1 1 126 126 THR HG21 H 1 1.18 0.0300 . 1 . . . . 249 THR HG2 . 17200 1 1420 . 1 1 126 126 THR HG22 H 1 1.18 0.0300 . 1 . . . . 249 THR HG2 . 17200 1 1421 . 1 1 126 126 THR HG23 H 1 1.18 0.0300 . 1 . . . . 249 THR HG2 . 17200 1 1422 . 1 1 126 126 THR CA C 13 59.58 0.4000 . 1 . . . . 249 THR CA . 17200 1 1423 . 1 1 126 126 THR CB C 13 71.00 0.4000 . 1 . . . . 249 THR CB . 17200 1 1424 . 1 1 126 126 THR CG2 C 13 21.28 0.4000 . 1 . . . . 249 THR CG2 . 17200 1 1425 . 1 1 126 126 THR N N 15 117.54 0.4000 . 1 . . . . 249 THR N . 17200 1 1426 . 1 1 127 127 ARG HA H 1 4.14 0.0300 . 1 . . . . 250 ARG HA . 17200 1 1427 . 1 1 127 127 ARG HB2 H 1 1.96 0.0300 . 1 . . . . 250 ARG HB2 . 17200 1 1428 . 1 1 127 127 ARG HB3 H 1 1.96 0.0300 . 1 . . . . 250 ARG HB3 . 17200 1 1429 . 1 1 127 127 ARG HD2 H 1 3.26 0.0300 . 1 . . . . 250 ARG HD2 . 17200 1 1430 . 1 1 127 127 ARG HD3 H 1 3.26 0.0300 . 1 . . . . 250 ARG HD3 . 17200 1 1431 . 1 1 127 127 ARG HG2 H 1 1.80 0.0300 . 2 . . . . 250 ARG HG2 . 17200 1 1432 . 1 1 127 127 ARG HG3 H 1 1.73 0.0300 . 2 . . . . 250 ARG HG3 . 17200 1 1433 . 1 1 127 127 ARG C C 13 177.39 0.4000 . 1 . . . . 250 ARG C . 17200 1 1434 . 1 1 127 127 ARG CA C 13 58.88 0.4000 . 1 . . . . 250 ARG CA . 17200 1 1435 . 1 1 127 127 ARG CB C 13 30.19 0.4000 . 1 . . . . 250 ARG CB . 17200 1 1436 . 1 1 127 127 ARG CD C 13 43.20 0.4000 . 1 . . . . 250 ARG CD . 17200 1 1437 . 1 1 127 127 ARG CG C 13 27.58 0.4000 . 1 . . . . 250 ARG CG . 17200 1 1438 . 1 1 128 128 THR H H 1 7.82 0.0300 . 1 . . . . 251 THR H . 17200 1 1439 . 1 1 128 128 THR HA H 1 4.41 0.0300 . 1 . . . . 251 THR HA . 17200 1 1440 . 1 1 128 128 THR HB H 1 4.32 0.0300 . 1 . . . . 251 THR HB . 17200 1 1441 . 1 1 128 128 THR HG21 H 1 1.22 0.0300 . 1 . . . . 251 THR HG2 . 17200 1 1442 . 1 1 128 128 THR HG22 H 1 1.22 0.0300 . 1 . . . . 251 THR HG2 . 17200 1 1443 . 1 1 128 128 THR HG23 H 1 1.22 0.0300 . 1 . . . . 251 THR HG2 . 17200 1 1444 . 1 1 128 128 THR C C 13 174.15 0.4000 . 1 . . . . 251 THR C . 17200 1 1445 . 1 1 128 128 THR CA C 13 61.43 0.4000 . 1 . . . . 251 THR CA . 17200 1 1446 . 1 1 128 128 THR CB C 13 70.24 0.4000 . 1 . . . . 251 THR CB . 17200 1 1447 . 1 1 128 128 THR CG2 C 13 21.66 0.4000 . 1 . . . . 251 THR CG2 . 17200 1 1448 . 1 1 128 128 THR N N 15 104.73 0.4000 . 1 . . . . 251 THR N . 17200 1 1449 . 1 1 129 129 ALA H H 1 7.70 0.0300 . 1 . . . . 252 ALA H . 17200 1 1450 . 1 1 129 129 ALA HA H 1 4.56 0.0300 . 1 . . . . 252 ALA HA . 17200 1 1451 . 1 1 129 129 ALA HB1 H 1 1.25 0.0300 . 1 . . . . 252 ALA HB . 17200 1 1452 . 1 1 129 129 ALA HB2 H 1 1.25 0.0300 . 1 . . . . 252 ALA HB . 17200 1 1453 . 1 1 129 129 ALA HB3 H 1 1.25 0.0300 . 1 . . . . 252 ALA HB . 17200 1 1454 . 1 1 129 129 ALA C C 13 175.28 0.4000 . 1 . . . . 252 ALA C . 17200 1 1455 . 1 1 129 129 ALA CA C 13 52.25 0.4000 . 1 . . . . 252 ALA CA . 17200 1 1456 . 1 1 129 129 ALA CB C 13 22.48 0.4000 . 1 . . . . 252 ALA CB . 17200 1 1457 . 1 1 129 129 ALA N N 15 124.72 0.4000 . 1 . . . . 252 ALA N . 17200 1 1458 . 1 1 130 130 ARG H H 1 7.92 0.0300 . 1 . . . . 253 ARG H . 17200 1 1459 . 1 1 130 130 ARG HA H 1 4.33 0.0300 . 1 . . . . 253 ARG HA . 17200 1 1460 . 1 1 130 130 ARG HB2 H 1 1.88 0.0300 . 2 . . . . 253 ARG HB2 . 17200 1 1461 . 1 1 130 130 ARG HB3 H 1 1.78 0.0300 . 2 . . . . 253 ARG HB3 . 17200 1 1462 . 1 1 130 130 ARG HD2 H 1 3.20 0.0300 . 1 . . . . 253 ARG HD2 . 17200 1 1463 . 1 1 130 130 ARG HD3 H 1 3.20 0.0300 . 1 . . . . 253 ARG HD3 . 17200 1 1464 . 1 1 130 130 ARG HG2 H 1 1.62 0.0300 . 1 . . . . 253 ARG HG2 . 17200 1 1465 . 1 1 130 130 ARG HG3 H 1 1.62 0.0300 . 1 . . . . 253 ARG HG3 . 17200 1 1466 . 1 1 130 130 ARG C C 13 174.83 0.4000 . 1 . . . . 253 ARG C . 17200 1 1467 . 1 1 130 130 ARG CA C 13 56.30 0.4000 . 1 . . . . 253 ARG CA . 17200 1 1468 . 1 1 130 130 ARG CB C 13 30.73 0.4000 . 1 . . . . 253 ARG CB . 17200 1 1469 . 1 1 130 130 ARG CD C 13 43.41 0.4000 . 1 . . . . 253 ARG CD . 17200 1 1470 . 1 1 130 130 ARG CG C 13 27.01 0.4000 . 1 . . . . 253 ARG CG . 17200 1 1471 . 1 1 130 130 ARG N N 15 120.86 0.4000 . 1 . . . . 253 ARG N . 17200 1 1472 . 1 1 131 131 GLU H H 1 9.16 0.0300 . 1 . . . . 254 GLU H . 17200 1 1473 . 1 1 131 131 GLU HA H 1 4.40 0.0300 . 1 . . . . 254 GLU HA . 17200 1 1474 . 1 1 131 131 GLU HB2 H 1 1.88 0.0300 . 1 . . . . 254 GLU HB2 . 17200 1 1475 . 1 1 131 131 GLU HB3 H 1 1.88 0.0300 . 1 . . . . 254 GLU HB3 . 17200 1 1476 . 1 1 131 131 GLU HG2 H 1 2.02 0.0300 . 1 . . . . 254 GLU HG2 . 17200 1 1477 . 1 1 131 131 GLU HG3 H 1 2.02 0.0300 . 1 . . . . 254 GLU HG3 . 17200 1 1478 . 1 1 131 131 GLU C C 13 173.35 0.4000 . 1 . . . . 254 GLU C . 17200 1 1479 . 1 1 131 131 GLU CA C 13 55.08 0.4000 . 1 . . . . 254 GLU CA . 17200 1 1480 . 1 1 131 131 GLU CB C 13 33.19 0.4000 . 1 . . . . 254 GLU CB . 17200 1 1481 . 1 1 131 131 GLU CG C 13 35.89 0.4000 . 1 . . . . 254 GLU CG . 17200 1 1482 . 1 1 131 131 GLU N N 15 121.75 0.4000 . 1 . . . . 254 GLU N . 17200 1 1483 . 1 1 132 132 LEU H H 1 8.49 0.0300 . 1 . . . . 255 LEU H . 17200 1 1484 . 1 1 132 132 LEU HA H 1 5.17 0.0300 . 1 . . . . 255 LEU HA . 17200 1 1485 . 1 1 132 132 LEU HB2 H 1 1.52 0.0300 . 1 . . . . 255 LEU HB2 . 17200 1 1486 . 1 1 132 132 LEU HB3 H 1 1.52 0.0300 . 1 . . . . 255 LEU HB3 . 17200 1 1487 . 1 1 132 132 LEU HD11 H 1 0.91 0.0300 . 2 . . . . 255 LEU HD1 . 17200 1 1488 . 1 1 132 132 LEU HD12 H 1 0.91 0.0300 . 2 . . . . 255 LEU HD1 . 17200 1 1489 . 1 1 132 132 LEU HD13 H 1 0.91 0.0300 . 2 . . . . 255 LEU HD1 . 17200 1 1490 . 1 1 132 132 LEU HD21 H 1 1.15 0.0300 . 2 . . . . 255 LEU HD2 . 17200 1 1491 . 1 1 132 132 LEU HD22 H 1 1.15 0.0300 . 2 . . . . 255 LEU HD2 . 17200 1 1492 . 1 1 132 132 LEU HD23 H 1 1.15 0.0300 . 2 . . . . 255 LEU HD2 . 17200 1 1493 . 1 1 132 132 LEU C C 13 173.12 0.4000 . 1 . . . . 255 LEU C . 17200 1 1494 . 1 1 132 132 LEU CA C 13 53.20 0.4000 . 1 . . . . 255 LEU CA . 17200 1 1495 . 1 1 132 132 LEU CB C 13 47.69 0.4000 . 1 . . . . 255 LEU CB . 17200 1 1496 . 1 1 132 132 LEU CD1 C 13 26.01 0.4000 . 1 . . . . 255 LEU CD1 . 17200 1 1497 . 1 1 132 132 LEU CD2 C 13 24.36 0.4000 . 1 . . . . 255 LEU CD2 . 17200 1 1498 . 1 1 132 132 LEU N N 15 126.31 0.4000 . 1 . . . . 255 LEU N . 17200 1 1499 . 1 1 133 133 TYR H H 1 8.91 0.0300 . 1 . . . . 256 TYR H . 17200 1 1500 . 1 1 133 133 TYR HA H 1 5.71 0.0300 . 1 . . . . 256 TYR HA . 17200 1 1501 . 1 1 133 133 TYR HB2 H 1 2.74 0.0300 . 2 . . . . 256 TYR HB2 . 17200 1 1502 . 1 1 133 133 TYR HB3 H 1 2.43 0.0300 . 2 . . . . 256 TYR HB3 . 17200 1 1503 . 1 1 133 133 TYR HD1 H 1 6.72 0.0300 . 1 . . . . 256 TYR HD1 . 17200 1 1504 . 1 1 133 133 TYR HD2 H 1 6.72 0.0300 . 1 . . . . 256 TYR HD2 . 17200 1 1505 . 1 1 133 133 TYR HE1 H 1 6.72 0.0300 . 1 . . . . 256 TYR HE1 . 17200 1 1506 . 1 1 133 133 TYR HE2 H 1 6.72 0.0300 . 1 . . . . 256 TYR HE2 . 17200 1 1507 . 1 1 133 133 TYR C C 13 175.90 0.4000 . 1 . . . . 256 TYR C . 17200 1 1508 . 1 1 133 133 TYR CA C 13 55.14 0.4000 . 1 . . . . 256 TYR CA . 17200 1 1509 . 1 1 133 133 TYR CB C 13 41.12 0.4000 . 1 . . . . 256 TYR CB . 17200 1 1510 . 1 1 133 133 TYR CD1 C 13 133.07 0.4000 . 1 . . . . 256 TYR CD1 . 17200 1 1511 . 1 1 133 133 TYR CE1 C 13 117.87 0.4000 . 1 . . . . 256 TYR CE1 . 17200 1 1512 . 1 1 133 133 TYR N N 15 123.98 0.4000 . 1 . . . . 256 TYR N . 17200 1 1513 . 1 1 134 134 ALA H H 1 9.23 0.0300 . 1 . . . . 257 ALA H . 17200 1 1514 . 1 1 134 134 ALA HA H 1 5.11 0.0300 . 1 . . . . 257 ALA HA . 17200 1 1515 . 1 1 134 134 ALA HB1 H 1 1.01 0.0300 . 1 . . . . 257 ALA HB . 17200 1 1516 . 1 1 134 134 ALA HB2 H 1 1.01 0.0300 . 1 . . . . 257 ALA HB . 17200 1 1517 . 1 1 134 134 ALA HB3 H 1 1.01 0.0300 . 1 . . . . 257 ALA HB . 17200 1 1518 . 1 1 134 134 ALA C C 13 174.47 0.4000 . 1 . . . . 257 ALA C . 17200 1 1519 . 1 1 134 134 ALA CA C 13 50.83 0.4000 . 1 . . . . 257 ALA CA . 17200 1 1520 . 1 1 134 134 ALA CB C 13 24.51 0.4000 . 1 . . . . 257 ALA CB . 17200 1 1521 . 1 1 134 134 ALA N N 15 123.00 0.4000 . 1 . . . . 257 ALA N . 17200 1 1522 . 1 1 135 135 ASN H H 1 9.29 0.0300 . 1 . . . . 258 ASN H . 17200 1 1523 . 1 1 135 135 ASN HA H 1 5.70 0.0300 . 1 . . . . 258 ASN HA . 17200 1 1524 . 1 1 135 135 ASN HB2 H 1 2.92 0.0300 . 2 . . . . 258 ASN HB2 . 17200 1 1525 . 1 1 135 135 ASN HB3 H 1 2.80 0.0300 . 2 . . . . 258 ASN HB3 . 17200 1 1526 . 1 1 135 135 ASN HD21 H 1 6.77 0.0300 . 2 . . . . 258 ASN HD21 . 17200 1 1527 . 1 1 135 135 ASN HD22 H 1 7.60 0.0300 . 2 . . . . 258 ASN HD22 . 17200 1 1528 . 1 1 135 135 ASN C C 13 175.08 0.4000 . 1 . . . . 258 ASN C . 17200 1 1529 . 1 1 135 135 ASN CA C 13 51.42 0.4000 . 1 . . . . 258 ASN CA . 17200 1 1530 . 1 1 135 135 ASN CB C 13 37.70 0.4000 . 1 . . . . 258 ASN CB . 17200 1 1531 . 1 1 135 135 ASN N N 15 120.83 0.4000 . 1 . . . . 258 ASN N . 17200 1 1532 . 1 1 135 135 ASN ND2 N 15 112.45 0.4000 . 1 . . . . 258 ASN ND2 . 17200 1 1533 . 1 1 136 136 VAL H H 1 8.56 0.0300 . 1 . . . . 259 VAL H . 17200 1 1534 . 1 1 136 136 VAL HA H 1 3.94 0.0300 . 1 . . . . 259 VAL HA . 17200 1 1535 . 1 1 136 136 VAL HB H 1 1.74 0.0300 . 1 . . . . 259 VAL HB . 17200 1 1536 . 1 1 136 136 VAL HG11 H 1 0.49 0.0300 . 2 . . . . 259 VAL HG1 . 17200 1 1537 . 1 1 136 136 VAL HG12 H 1 0.49 0.0300 . 2 . . . . 259 VAL HG1 . 17200 1 1538 . 1 1 136 136 VAL HG13 H 1 0.49 0.0300 . 2 . . . . 259 VAL HG1 . 17200 1 1539 . 1 1 136 136 VAL HG21 H 1 0.46 0.0300 . 2 . . . . 259 VAL HG2 . 17200 1 1540 . 1 1 136 136 VAL HG22 H 1 0.46 0.0300 . 2 . . . . 259 VAL HG2 . 17200 1 1541 . 1 1 136 136 VAL HG23 H 1 0.46 0.0300 . 2 . . . . 259 VAL HG2 . 17200 1 1542 . 1 1 136 136 VAL C C 13 174.45 0.4000 . 1 . . . . 259 VAL C . 17200 1 1543 . 1 1 136 136 VAL CA C 13 63.22 0.4000 . 1 . . . . 259 VAL CA . 17200 1 1544 . 1 1 136 136 VAL CB C 13 33.92 0.4000 . 1 . . . . 259 VAL CB . 17200 1 1545 . 1 1 136 136 VAL CG1 C 13 21.44 0.4000 . 1 . . . . 259 VAL CG1 . 17200 1 1546 . 1 1 136 136 VAL CG2 C 13 22.37 0.4000 . 1 . . . . 259 VAL CG2 . 17200 1 1547 . 1 1 136 136 VAL N N 15 128.53 0.4000 . 1 . . . . 259 VAL N . 17200 1 1548 . 1 1 137 137 VAL H H 1 8.90 0.0300 . 1 . . . . 260 VAL H . 17200 1 1549 . 1 1 137 137 VAL HA H 1 3.98 0.0300 . 1 . . . . 260 VAL HA . 17200 1 1550 . 1 1 137 137 VAL HB H 1 2.27 0.0300 . 1 . . . . 260 VAL HB . 17200 1 1551 . 1 1 137 137 VAL HG11 H 1 0.99 0.0300 . 2 . . . . 260 VAL HG1 . 17200 1 1552 . 1 1 137 137 VAL HG12 H 1 0.99 0.0300 . 2 . . . . 260 VAL HG1 . 17200 1 1553 . 1 1 137 137 VAL HG13 H 1 0.99 0.0300 . 2 . . . . 260 VAL HG1 . 17200 1 1554 . 1 1 137 137 VAL HG21 H 1 1.12 0.0300 . 2 . . . . 260 VAL HG2 . 17200 1 1555 . 1 1 137 137 VAL HG22 H 1 1.12 0.0300 . 2 . . . . 260 VAL HG2 . 17200 1 1556 . 1 1 137 137 VAL HG23 H 1 1.12 0.0300 . 2 . . . . 260 VAL HG2 . 17200 1 1557 . 1 1 137 137 VAL C C 13 174.97 0.4000 . 1 . . . . 260 VAL C . 17200 1 1558 . 1 1 137 137 VAL CA C 13 63.88 0.4000 . 1 . . . . 260 VAL CA . 17200 1 1559 . 1 1 137 137 VAL CB C 13 31.63 0.4000 . 1 . . . . 260 VAL CB . 17200 1 1560 . 1 1 137 137 VAL CG1 C 13 21.07 0.4000 . 1 . . . . 260 VAL CG1 . 17200 1 1561 . 1 1 137 137 VAL CG2 C 13 21.09 0.4000 . 1 . . . . 260 VAL CG2 . 17200 1 1562 . 1 1 137 137 VAL N N 15 129.13 0.4000 . 1 . . . . 260 VAL N . 17200 1 1563 . 1 1 138 138 LEU H H 1 8.18 0.0300 . 1 . . . . 261 LEU H . 17200 1 1564 . 1 1 138 138 LEU HA H 1 4.86 0.0300 . 1 . . . . 261 LEU HA . 17200 1 1565 . 1 1 138 138 LEU HB2 H 1 1.71 0.0300 . 2 . . . . 261 LEU HB2 . 17200 1 1566 . 1 1 138 138 LEU HB3 H 1 1.57 0.0300 . 2 . . . . 261 LEU HB3 . 17200 1 1567 . 1 1 138 138 LEU HD11 H 1 0.78 0.0300 . 2 . . . . 261 LEU HD1 . 17200 1 1568 . 1 1 138 138 LEU HD12 H 1 0.78 0.0300 . 2 . . . . 261 LEU HD1 . 17200 1 1569 . 1 1 138 138 LEU HD13 H 1 0.78 0.0300 . 2 . . . . 261 LEU HD1 . 17200 1 1570 . 1 1 138 138 LEU HD21 H 1 0.60 0.0300 . 2 . . . . 261 LEU HD2 . 17200 1 1571 . 1 1 138 138 LEU HD22 H 1 0.60 0.0300 . 2 . . . . 261 LEU HD2 . 17200 1 1572 . 1 1 138 138 LEU HD23 H 1 0.60 0.0300 . 2 . . . . 261 LEU HD2 . 17200 1 1573 . 1 1 138 138 LEU HG H 1 1.49 0.0300 . 1 . . . . 261 LEU HG . 17200 1 1574 . 1 1 138 138 LEU C C 13 177.07 0.4000 . 1 . . . . 261 LEU C . 17200 1 1575 . 1 1 138 138 LEU CA C 13 53.57 0.4000 . 1 . . . . 261 LEU CA . 17200 1 1576 . 1 1 138 138 LEU CB C 13 42.08 0.4000 . 1 . . . . 261 LEU CB . 17200 1 1577 . 1 1 138 138 LEU CD1 C 13 26.09 0.4000 . 1 . . . . 261 LEU CD1 . 17200 1 1578 . 1 1 138 138 LEU CD2 C 13 24.26 0.4000 . 1 . . . . 261 LEU CD2 . 17200 1 1579 . 1 1 138 138 LEU CG C 13 27.45 0.4000 . 1 . . . . 261 LEU CG . 17200 1 1580 . 1 1 138 138 LEU N N 15 128.36 0.4000 . 1 . . . . 261 LEU N . 17200 1 1581 . 1 1 139 139 GLY H H 1 7.93 0.0300 . 1 . . . . 262 GLY H . 17200 1 1582 . 1 1 139 139 GLY HA2 H 1 3.91 0.0300 . 2 . . . . 262 GLY HA2 . 17200 1 1583 . 1 1 139 139 GLY HA3 H 1 3.59 0.0300 . 2 . . . . 262 GLY HA3 . 17200 1 1584 . 1 1 139 139 GLY C C 13 174.37 0.4000 . 1 . . . . 262 GLY C . 17200 1 1585 . 1 1 139 139 GLY CA C 13 47.19 0.4000 . 1 . . . . 262 GLY CA . 17200 1 1586 . 1 1 139 139 GLY N N 15 110.15 0.4000 . 1 . . . . 262 GLY N . 17200 1 1587 . 1 1 140 140 ASP H H 1 8.51 0.0300 . 1 . . . . 263 ASP H . 17200 1 1588 . 1 1 140 140 ASP HA H 1 4.67 0.0300 . 1 . . . . 263 ASP HA . 17200 1 1589 . 1 1 140 140 ASP HB2 H 1 2.62 0.0300 . 1 . . . . 263 ASP HB2 . 17200 1 1590 . 1 1 140 140 ASP HB3 H 1 2.62 0.0300 . 1 . . . . 263 ASP HB3 . 17200 1 1591 . 1 1 140 140 ASP C C 13 174.91 0.4000 . 1 . . . . 263 ASP C . 17200 1 1592 . 1 1 140 140 ASP CA C 13 54.45 0.4000 . 1 . . . . 263 ASP CA . 17200 1 1593 . 1 1 140 140 ASP CB C 13 41.30 0.4000 . 1 . . . . 263 ASP CB . 17200 1 1594 . 1 1 140 140 ASP N N 15 122.75 0.4000 . 1 . . . . 263 ASP N . 17200 1 1595 . 1 1 141 141 ASP H H 1 7.68 0.0300 . 1 . . . . 264 ASP H . 17200 1 1596 . 1 1 141 141 ASP HA H 1 4.86 0.0300 . 1 . . . . 264 ASP HA . 17200 1 1597 . 1 1 141 141 ASP HB2 H 1 2.65 0.0300 . 2 . . . . 264 ASP HB2 . 17200 1 1598 . 1 1 141 141 ASP HB3 H 1 2.60 0.0300 . 2 . . . . 264 ASP HB3 . 17200 1 1599 . 1 1 141 141 ASP C C 13 174.49 0.4000 . 1 . . . . 264 ASP C . 17200 1 1600 . 1 1 141 141 ASP CA C 13 52.86 0.4000 . 1 . . . . 264 ASP CA . 17200 1 1601 . 1 1 141 141 ASP CB C 13 43.63 0.4000 . 1 . . . . 264 ASP CB . 17200 1 1602 . 1 1 141 141 ASP N N 15 118.23 0.4000 . 1 . . . . 264 ASP N . 17200 1 1603 . 1 1 142 142 SER H H 1 8.61 0.0300 . 1 . . . . 265 SER H . 17200 1 1604 . 1 1 142 142 SER HA H 1 5.18 0.0300 . 1 . . . . 265 SER HA . 17200 1 1605 . 1 1 142 142 SER HB2 H 1 3.65 0.0300 . 2 . . . . 265 SER HB2 . 17200 1 1606 . 1 1 142 142 SER HB3 H 1 3.60 0.0300 . 2 . . . . 265 SER HB3 . 17200 1 1607 . 1 1 142 142 SER C C 13 173.15 0.4000 . 1 . . . . 265 SER C . 17200 1 1608 . 1 1 142 142 SER CA C 13 57.36 0.4000 . 1 . . . . 265 SER CA . 17200 1 1609 . 1 1 142 142 SER CB C 13 65.53 0.4000 . 1 . . . . 265 SER CB . 17200 1 1610 . 1 1 142 142 SER N N 15 113.87 0.4000 . 1 . . . . 265 SER N . 17200 1 1611 . 1 1 143 143 LEU H H 1 9.00 0.0300 . 1 . . . . 266 LEU H . 17200 1 1612 . 1 1 143 143 LEU HA H 1 4.59 0.0300 . 1 . . . . 266 LEU HA . 17200 1 1613 . 1 1 143 143 LEU HB2 H 1 1.52 0.0300 . 2 . . . . 266 LEU HB2 . 17200 1 1614 . 1 1 143 143 LEU HB3 H 1 1.35 0.0300 . 2 . . . . 266 LEU HB3 . 17200 1 1615 . 1 1 143 143 LEU HD11 H 1 0.97 0.0300 . 2 . . . . 266 LEU HD1 . 17200 1 1616 . 1 1 143 143 LEU HD12 H 1 0.97 0.0300 . 2 . . . . 266 LEU HD1 . 17200 1 1617 . 1 1 143 143 LEU HD13 H 1 0.97 0.0300 . 2 . . . . 266 LEU HD1 . 17200 1 1618 . 1 1 143 143 LEU HD21 H 1 0.91 0.0300 . 2 . . . . 266 LEU HD2 . 17200 1 1619 . 1 1 143 143 LEU HD22 H 1 0.91 0.0300 . 2 . . . . 266 LEU HD2 . 17200 1 1620 . 1 1 143 143 LEU HD23 H 1 0.91 0.0300 . 2 . . . . 266 LEU HD2 . 17200 1 1621 . 1 1 143 143 LEU HG H 1 1.48 0.0300 . 1 . . . . 266 LEU HG . 17200 1 1622 . 1 1 143 143 LEU C C 13 175.46 0.4000 . 1 . . . . 266 LEU C . 17200 1 1623 . 1 1 143 143 LEU CA C 13 53.13 0.4000 . 1 . . . . 266 LEU CA . 17200 1 1624 . 1 1 143 143 LEU CB C 13 43.59 0.4000 . 1 . . . . 266 LEU CB . 17200 1 1625 . 1 1 143 143 LEU CD1 C 13 25.46 0.4000 . 1 . . . . 266 LEU CD1 . 17200 1 1626 . 1 1 143 143 LEU CD2 C 13 23.48 0.4000 . 1 . . . . 266 LEU CD2 . 17200 1 1627 . 1 1 143 143 LEU CG C 13 26.73 0.4000 . 1 . . . . 266 LEU CG . 17200 1 1628 . 1 1 143 143 LEU N N 15 125.03 0.4000 . 1 . . . . 266 LEU N . 17200 1 1629 . 1 1 144 144 ASN H H 1 8.57 0.0300 . 1 . . . . 267 ASN H . 17200 1 1630 . 1 1 144 144 ASN HA H 1 4.92 0.0300 . 1 . . . . 267 ASN HA . 17200 1 1631 . 1 1 144 144 ASN HB2 H 1 2.58 0.0300 . 1 . . . . 267 ASN HB2 . 17200 1 1632 . 1 1 144 144 ASN HB3 H 1 2.58 0.0300 . 1 . . . . 267 ASN HB3 . 17200 1 1633 . 1 1 144 144 ASN HD21 H 1 6.74 0.0300 . 2 . . . . 267 ASN HD21 . 17200 1 1634 . 1 1 144 144 ASN HD22 H 1 7.36 0.0300 . 2 . . . . 267 ASN HD22 . 17200 1 1635 . 1 1 144 144 ASN C C 13 175.59 0.4000 . 1 . . . . 267 ASN C . 17200 1 1636 . 1 1 144 144 ASN CA C 13 53.25 0.4000 . 1 . . . . 267 ASN CA . 17200 1 1637 . 1 1 144 144 ASN CB C 13 39.43 0.4000 . 1 . . . . 267 ASN CB . 17200 1 1638 . 1 1 144 144 ASN N N 15 122.56 0.4000 . 1 . . . . 267 ASN N . 17200 1 1639 . 1 1 144 144 ASN ND2 N 15 111.37 0.4000 . 1 . . . . 267 ASN ND2 . 17200 1 1640 . 1 1 145 145 ASP H H 1 9.01 0.0300 . 1 . . . . 268 ASP H . 17200 1 1641 . 1 1 145 145 ASP HA H 1 3.97 0.0300 . 1 . . . . 268 ASP HA . 17200 1 1642 . 1 1 145 145 ASP HB2 H 1 2.86 0.0300 . 2 . . . . 268 ASP HB2 . 17200 1 1643 . 1 1 145 145 ASP HB3 H 1 2.44 0.0300 . 2 . . . . 268 ASP HB3 . 17200 1 1644 . 1 1 145 145 ASP C C 13 174.74 0.4000 . 1 . . . . 268 ASP C . 17200 1 1645 . 1 1 145 145 ASP CA C 13 55.78 0.4000 . 1 . . . . 268 ASP CA . 17200 1 1646 . 1 1 145 145 ASP CB C 13 39.95 0.4000 . 1 . . . . 268 ASP CB . 17200 1 1647 . 1 1 145 145 ASP N N 15 119.34 0.4000 . 1 . . . . 268 ASP N . 17200 1 1648 . 1 1 146 146 CYS H H 1 8.83 0.0300 . 1 . . . . 269 CYS H . 17200 1 1649 . 1 1 146 146 CYS HA H 1 4.19 0.0300 . 1 . . . . 269 CYS HA . 17200 1 1650 . 1 1 146 146 CYS HB2 H 1 2.42 0.0300 . 1 . . . . 269 CYS HB2 . 17200 1 1651 . 1 1 146 146 CYS HB3 H 1 2.42 0.0300 . 1 . . . . 269 CYS HB3 . 17200 1 1652 . 1 1 146 146 CYS C C 13 174.88 0.4000 . 1 . . . . 269 CYS C . 17200 1 1653 . 1 1 146 146 CYS CA C 13 60.10 0.4000 . 1 . . . . 269 CYS CA . 17200 1 1654 . 1 1 146 146 CYS CB C 13 28.12 0.4000 . 1 . . . . 269 CYS CB . 17200 1 1655 . 1 1 146 146 CYS N N 15 118.15 0.4000 . 1 . . . . 269 CYS N . 17200 1 1656 . 1 1 147 147 ARG H H 1 8.66 0.0300 . 1 . . . . 270 ARG H . 17200 1 1657 . 1 1 147 147 ARG HA H 1 3.97 0.0300 . 1 . . . . 270 ARG HA . 17200 1 1658 . 1 1 147 147 ARG HD2 H 1 2.79 0.0300 . 1 . . . . 270 ARG HD2 . 17200 1 1659 . 1 1 147 147 ARG HD3 H 1 2.79 0.0300 . 1 . . . . 270 ARG HD3 . 17200 1 1660 . 1 1 147 147 ARG HG2 H 1 0.93 0.0300 . 1 . . . . 270 ARG HG2 . 17200 1 1661 . 1 1 147 147 ARG HG3 H 1 0.93 0.0300 . 1 . . . . 270 ARG HG3 . 17200 1 1662 . 1 1 147 147 ARG C C 13 174.34 0.4000 . 1 . . . . 270 ARG C . 17200 1 1663 . 1 1 147 147 ARG CA C 13 55.27 0.4000 . 1 . . . . 270 ARG CA . 17200 1 1664 . 1 1 147 147 ARG CD C 13 42.33 0.4000 . 1 . . . . 270 ARG CD . 17200 1 1665 . 1 1 147 147 ARG CG C 13 27.58 0.4000 . 1 . . . . 270 ARG CG . 17200 1 1666 . 1 1 147 147 ARG N N 15 125.61 0.4000 . 1 . . . . 270 ARG N . 17200 1 1667 . 1 1 148 148 ILE H H 1 8.59 0.0300 . 1 . . . . 271 ILE H . 17200 1 1668 . 1 1 148 148 ILE HA H 1 4.55 0.0300 . 1 . . . . 271 ILE HA . 17200 1 1669 . 1 1 148 148 ILE HB H 1 1.92 0.0300 . 1 . . . . 271 ILE HB . 17200 1 1670 . 1 1 148 148 ILE HD11 H 1 0.34 0.0300 . 1 . . . . 271 ILE HD1 . 17200 1 1671 . 1 1 148 148 ILE HD12 H 1 0.34 0.0300 . 1 . . . . 271 ILE HD1 . 17200 1 1672 . 1 1 148 148 ILE HD13 H 1 0.34 0.0300 . 1 . . . . 271 ILE HD1 . 17200 1 1673 . 1 1 148 148 ILE HG12 H 1 1.58 0.0300 . 1 . . . . 271 ILE HG12 . 17200 1 1674 . 1 1 148 148 ILE HG13 H 1 1.58 0.0300 . 1 . . . . 271 ILE HG13 . 17200 1 1675 . 1 1 148 148 ILE HG21 H 1 0.91 0.0300 . 1 . . . . 271 ILE HG2 . 17200 1 1676 . 1 1 148 148 ILE HG22 H 1 0.91 0.0300 . 1 . . . . 271 ILE HG2 . 17200 1 1677 . 1 1 148 148 ILE HG23 H 1 0.91 0.0300 . 1 . . . . 271 ILE HG2 . 17200 1 1678 . 1 1 148 148 ILE C C 13 176.00 0.4000 . 1 . . . . 271 ILE C . 17200 1 1679 . 1 1 148 148 ILE CA C 13 56.98 0.4000 . 1 . . . . 271 ILE CA . 17200 1 1680 . 1 1 148 148 ILE CB C 13 36.18 0.4000 . 1 . . . . 271 ILE CB . 17200 1 1681 . 1 1 148 148 ILE CD1 C 13 9.09 0.4000 . 1 . . . . 271 ILE CD1 . 17200 1 1682 . 1 1 148 148 ILE CG1 C 13 25.26 0.4000 . 1 . . . . 271 ILE CG1 . 17200 1 1683 . 1 1 148 148 ILE CG2 C 13 16.45 0.4000 . 1 . . . . 271 ILE CG2 . 17200 1 1684 . 1 1 148 148 ILE N N 15 129.30 0.4000 . 1 . . . . 271 ILE N . 17200 1 1685 . 1 1 149 149 ILE H H 1 9.33 0.0300 . 1 . . . . 272 ILE H . 17200 1 1686 . 1 1 149 149 ILE HA H 1 3.89 0.0300 . 1 . . . . 272 ILE HA . 17200 1 1687 . 1 1 149 149 ILE HB H 1 1.23 0.0300 . 1 . . . . 272 ILE HB . 17200 1 1688 . 1 1 149 149 ILE HD11 H 1 0.51 0.0300 . 1 . . . . 272 ILE HD1 . 17200 1 1689 . 1 1 149 149 ILE HD12 H 1 0.51 0.0300 . 1 . . . . 272 ILE HD1 . 17200 1 1690 . 1 1 149 149 ILE HD13 H 1 0.51 0.0300 . 1 . . . . 272 ILE HD1 . 17200 1 1691 . 1 1 149 149 ILE HG12 H 1 0.89 0.0300 . 1 . . . . 272 ILE HG12 . 17200 1 1692 . 1 1 149 149 ILE HG13 H 1 0.89 0.0300 . 1 . . . . 272 ILE HG13 . 17200 1 1693 . 1 1 149 149 ILE HG21 H 1 0.20 0.0300 . 1 . . . . 272 ILE HG2 . 17200 1 1694 . 1 1 149 149 ILE HG22 H 1 0.20 0.0300 . 1 . . . . 272 ILE HG2 . 17200 1 1695 . 1 1 149 149 ILE HG23 H 1 0.20 0.0300 . 1 . . . . 272 ILE HG2 . 17200 1 1696 . 1 1 149 149 ILE C C 13 178.84 0.4000 . 1 . . . . 272 ILE C . 17200 1 1697 . 1 1 149 149 ILE CA C 13 61.07 0.4000 . 1 . . . . 272 ILE CA . 17200 1 1698 . 1 1 149 149 ILE CB C 13 37.13 0.4000 . 1 . . . . 272 ILE CB . 17200 1 1699 . 1 1 149 149 ILE CD1 C 13 10.69 0.4000 . 1 . . . . 272 ILE CD1 . 17200 1 1700 . 1 1 149 149 ILE CG1 C 13 26.69 0.4000 . 1 . . . . 272 ILE CG1 . 17200 1 1701 . 1 1 149 149 ILE CG2 C 13 17.14 0.4000 . 1 . . . . 272 ILE CG2 . 17200 1 1702 . 1 1 149 149 ILE N N 15 125.73 0.4000 . 1 . . . . 272 ILE N . 17200 1 1703 . 1 1 150 150 PHE H H 1 6.41 0.0300 . 1 . . . . 273 PHE H . 17200 1 1704 . 1 1 150 150 PHE HA H 1 4.92 0.0300 . 1 . . . . 273 PHE HA . 17200 1 1705 . 1 1 150 150 PHE HB2 H 1 2.83 0.0300 . 1 . . . . 273 PHE HB2 . 17200 1 1706 . 1 1 150 150 PHE HB3 H 1 2.83 0.0300 . 1 . . . . 273 PHE HB3 . 17200 1 1707 . 1 1 150 150 PHE HD1 H 1 7.28 0.0300 . 1 . . . . 273 PHE HD1 . 17200 1 1708 . 1 1 150 150 PHE HD2 H 1 7.28 0.0300 . 1 . . . . 273 PHE HD2 . 17200 1 1709 . 1 1 150 150 PHE HE1 H 1 7.11 0.0300 . 1 . . . . 273 PHE HE1 . 17200 1 1710 . 1 1 150 150 PHE HE2 H 1 7.11 0.0300 . 1 . . . . 273 PHE HE2 . 17200 1 1711 . 1 1 150 150 PHE HZ H 1 7.03 0.0300 . 1 . . . . 273 PHE HZ . 17200 1 1712 . 1 1 150 150 PHE C C 13 178.22 0.4000 . 1 . . . . 273 PHE C . 17200 1 1713 . 1 1 150 150 PHE CA C 13 57.87 0.4000 . 1 . . . . 273 PHE CA . 17200 1 1714 . 1 1 150 150 PHE CB C 13 37.11 0.4000 . 1 . . . . 273 PHE CB . 17200 1 1715 . 1 1 150 150 PHE CD1 C 13 129.74 0.4000 . 1 . . . . 273 PHE CD1 . 17200 1 1716 . 1 1 150 150 PHE CE1 C 13 131.62 0.4000 . 1 . . . . 273 PHE CE1 . 17200 1 1717 . 1 1 150 150 PHE CZ C 13 128.83 0.4000 . 1 . . . . 273 PHE CZ . 17200 1 1718 . 1 1 150 150 PHE N N 15 122.21 0.4000 . 1 . . . . 273 PHE N . 17200 1 1719 . 1 1 151 151 VAL H H 1 7.52 0.0300 . 1 . . . . 274 VAL H . 17200 1 1720 . 1 1 151 151 VAL HA H 1 3.77 0.0300 . 1 . . . . 274 VAL HA . 17200 1 1721 . 1 1 151 151 VAL HB H 1 2.49 0.0300 . 1 . . . . 274 VAL HB . 17200 1 1722 . 1 1 151 151 VAL HG11 H 1 0.92 0.0300 . 2 . . . . 274 VAL HG1 . 17200 1 1723 . 1 1 151 151 VAL HG12 H 1 0.92 0.0300 . 2 . . . . 274 VAL HG1 . 17200 1 1724 . 1 1 151 151 VAL HG13 H 1 0.92 0.0300 . 2 . . . . 274 VAL HG1 . 17200 1 1725 . 1 1 151 151 VAL HG21 H 1 0.62 0.0300 . 2 . . . . 274 VAL HG2 . 17200 1 1726 . 1 1 151 151 VAL HG22 H 1 0.62 0.0300 . 2 . . . . 274 VAL HG2 . 17200 1 1727 . 1 1 151 151 VAL HG23 H 1 0.62 0.0300 . 2 . . . . 274 VAL HG2 . 17200 1 1728 . 1 1 151 151 VAL C C 13 174.57 0.4000 . 1 . . . . 274 VAL C . 17200 1 1729 . 1 1 151 151 VAL CA C 13 64.14 0.4000 . 1 . . . . 274 VAL CA . 17200 1 1730 . 1 1 151 151 VAL CB C 13 31.29 0.4000 . 1 . . . . 274 VAL CB . 17200 1 1731 . 1 1 151 151 VAL CG1 C 13 23.57 0.4000 . 1 . . . . 274 VAL CG1 . 17200 1 1732 . 1 1 151 151 VAL CG2 C 13 18.26 0.4000 . 1 . . . . 274 VAL CG2 . 17200 1 1733 . 1 1 151 151 VAL N N 15 115.29 0.4000 . 1 . . . . 274 VAL N . 17200 1 1734 . 1 1 152 152 ASP H H 1 8.48 0.0300 . 1 . . . . 275 ASP H . 17200 1 1735 . 1 1 152 152 ASP HA H 1 5.29 0.0300 . 1 . . . . 275 ASP HA . 17200 1 1736 . 1 1 152 152 ASP HB2 H 1 3.10 0.0300 . 2 . . . . 275 ASP HB2 . 17200 1 1737 . 1 1 152 152 ASP HB3 H 1 2.69 0.0300 . 2 . . . . 275 ASP HB3 . 17200 1 1738 . 1 1 152 152 ASP C C 13 175.95 0.4000 . 1 . . . . 275 ASP C . 17200 1 1739 . 1 1 152 152 ASP CA C 13 54.57 0.4000 . 1 . . . . 275 ASP CA . 17200 1 1740 . 1 1 152 152 ASP CB C 13 41.50 0.4000 . 1 . . . . 275 ASP CB . 17200 1 1741 . 1 1 152 152 ASP N N 15 116.04 0.4000 . 1 . . . . 275 ASP N . 17200 1 1742 . 1 1 153 153 GLU H H 1 7.22 0.0300 . 1 . . . . 276 GLU H . 17200 1 1743 . 1 1 153 153 GLU HA H 1 4.44 0.0300 . 1 . . . . 276 GLU HA . 17200 1 1744 . 1 1 153 153 GLU HB2 H 1 2.04 0.0300 . 1 . . . . 276 GLU HB2 . 17200 1 1745 . 1 1 153 153 GLU HB3 H 1 2.04 0.0300 . 1 . . . . 276 GLU HB3 . 17200 1 1746 . 1 1 153 153 GLU HG2 H 1 2.20 0.0300 . 1 . . . . 276 GLU HG2 . 17200 1 1747 . 1 1 153 153 GLU HG3 H 1 2.20 0.0300 . 1 . . . . 276 GLU HG3 . 17200 1 1748 . 1 1 153 153 GLU C C 13 173.93 0.4000 . 1 . . . . 276 GLU C . 17200 1 1749 . 1 1 153 153 GLU CA C 13 54.14 0.4000 . 1 . . . . 276 GLU CA . 17200 1 1750 . 1 1 153 153 GLU CB C 13 31.75 0.4000 . 1 . . . . 276 GLU CB . 17200 1 1751 . 1 1 153 153 GLU CG C 13 35.79 0.4000 . 1 . . . . 276 GLU CG . 17200 1 1752 . 1 1 153 153 GLU N N 15 120.62 0.4000 . 1 . . . . 276 GLU N . 17200 1 1753 . 1 1 154 154 VAL H H 1 8.83 0.0300 . 1 . . . . 277 VAL H . 17200 1 1754 . 1 1 154 154 VAL HA H 1 4.46 0.0300 . 1 . . . . 277 VAL HA . 17200 1 1755 . 1 1 154 154 VAL HB H 1 2.33 0.0300 . 1 . . . . 277 VAL HB . 17200 1 1756 . 1 1 154 154 VAL HG11 H 1 0.99 0.0300 . 2 . . . . 277 VAL HG1 . 17200 1 1757 . 1 1 154 154 VAL HG12 H 1 0.99 0.0300 . 2 . . . . 277 VAL HG1 . 17200 1 1758 . 1 1 154 154 VAL HG13 H 1 0.99 0.0300 . 2 . . . . 277 VAL HG1 . 17200 1 1759 . 1 1 154 154 VAL HG21 H 1 0.97 0.0300 . 2 . . . . 277 VAL HG2 . 17200 1 1760 . 1 1 154 154 VAL HG22 H 1 0.97 0.0300 . 2 . . . . 277 VAL HG2 . 17200 1 1761 . 1 1 154 154 VAL HG23 H 1 0.97 0.0300 . 2 . . . . 277 VAL HG2 . 17200 1 1762 . 1 1 154 154 VAL C C 13 174.58 0.4000 . 1 . . . . 277 VAL C . 17200 1 1763 . 1 1 154 154 VAL CA C 13 63.42 0.4000 . 1 . . . . 277 VAL CA . 17200 1 1764 . 1 1 154 154 VAL CB C 13 31.15 0.4000 . 1 . . . . 277 VAL CB . 17200 1 1765 . 1 1 154 154 VAL CG1 C 13 20.95 0.4000 . 1 . . . . 277 VAL CG1 . 17200 1 1766 . 1 1 154 154 VAL CG2 C 13 23.82 0.4000 . 1 . . . . 277 VAL CG2 . 17200 1 1767 . 1 1 154 154 VAL N N 15 124.69 0.4000 . 1 . . . . 277 VAL N . 17200 1 1768 . 1 1 155 155 PHE H H 1 9.42 0.0300 . 1 . . . . 278 PHE H . 17200 1 1769 . 1 1 155 155 PHE HA H 1 4.49 0.0300 . 1 . . . . 278 PHE HA . 17200 1 1770 . 1 1 155 155 PHE HB2 H 1 2.95 0.0300 . 2 . . . . 278 PHE HB2 . 17200 1 1771 . 1 1 155 155 PHE HB3 H 1 2.81 0.0300 . 2 . . . . 278 PHE HB3 . 17200 1 1772 . 1 1 155 155 PHE HD1 H 1 6.69 0.0300 . 1 . . . . 278 PHE HD1 . 17200 1 1773 . 1 1 155 155 PHE HD2 H 1 6.69 0.0300 . 1 . . . . 278 PHE HD2 . 17200 1 1774 . 1 1 155 155 PHE HE1 H 1 6.90 0.0300 . 1 . . . . 278 PHE HE1 . 17200 1 1775 . 1 1 155 155 PHE HE2 H 1 6.90 0.0300 . 1 . . . . 278 PHE HE2 . 17200 1 1776 . 1 1 155 155 PHE C C 13 175.68 0.4000 . 1 . . . . 278 PHE C . 17200 1 1777 . 1 1 155 155 PHE CA C 13 57.82 0.4000 . 1 . . . . 278 PHE CA . 17200 1 1778 . 1 1 155 155 PHE CB C 13 38.75 0.4000 . 1 . . . . 278 PHE CB . 17200 1 1779 . 1 1 155 155 PHE CD1 C 13 130.48 0.4000 . 1 . . . . 278 PHE CD1 . 17200 1 1780 . 1 1 155 155 PHE CE1 C 13 128.84 0.4000 . 1 . . . . 278 PHE CE1 . 17200 1 1781 . 1 1 155 155 PHE N N 15 124.53 0.4000 . 1 . . . . 278 PHE N . 17200 1 1782 . 1 1 156 156 LYS H H 1 8.54 0.0300 . 1 . . . . 279 LYS H . 17200 1 1783 . 1 1 156 156 LYS HA H 1 4.48 0.0300 . 1 . . . . 279 LYS HA . 17200 1 1784 . 1 1 156 156 LYS HB2 H 1 1.84 0.0300 . 1 . . . . 279 LYS HB2 . 17200 1 1785 . 1 1 156 156 LYS HB3 H 1 1.84 0.0300 . 1 . . . . 279 LYS HB3 . 17200 1 1786 . 1 1 156 156 LYS HD2 H 1 1.69 0.0300 . 2 . . . . 279 LYS HD2 . 17200 1 1787 . 1 1 156 156 LYS HD3 H 1 1.59 0.0300 . 2 . . . . 279 LYS HD3 . 17200 1 1788 . 1 1 156 156 LYS HE2 H 1 2.97 0.0300 . 1 . . . . 279 LYS HE2 . 17200 1 1789 . 1 1 156 156 LYS HE3 H 1 2.97 0.0300 . 1 . . . . 279 LYS HE3 . 17200 1 1790 . 1 1 156 156 LYS HG2 H 1 1.22 0.0300 . 1 . . . . 279 LYS HG2 . 17200 1 1791 . 1 1 156 156 LYS HG3 H 1 1.22 0.0300 . 1 . . . . 279 LYS HG3 . 17200 1 1792 . 1 1 156 156 LYS C C 13 177.22 0.4000 . 1 . . . . 279 LYS C . 17200 1 1793 . 1 1 156 156 LYS CA C 13 55.58 0.4000 . 1 . . . . 279 LYS CA . 17200 1 1794 . 1 1 156 156 LYS CB C 13 33.97 0.4000 . 1 . . . . 279 LYS CB . 17200 1 1795 . 1 1 156 156 LYS CD C 13 29.97 0.4000 . 1 . . . . 279 LYS CD . 17200 1 1796 . 1 1 156 156 LYS CE C 13 42.38 0.4000 . 1 . . . . 279 LYS CE . 17200 1 1797 . 1 1 156 156 LYS CG C 13 24.82 0.4000 . 1 . . . . 279 LYS CG . 17200 1 1798 . 1 1 156 156 LYS N N 15 120.19 0.4000 . 1 . . . . 279 LYS N . 17200 1 1799 . 1 1 157 157 ILE H H 1 8.88 0.0300 . 1 . . . . 280 ILE H . 17200 1 1800 . 1 1 157 157 ILE HA H 1 3.84 0.0300 . 1 . . . . 280 ILE HA . 17200 1 1801 . 1 1 157 157 ILE HB H 1 1.57 0.0300 . 1 . . . . 280 ILE HB . 17200 1 1802 . 1 1 157 157 ILE HD11 H 1 0.68 0.0300 . 1 . . . . 280 ILE HD1 . 17200 1 1803 . 1 1 157 157 ILE HD12 H 1 0.68 0.0300 . 1 . . . . 280 ILE HD1 . 17200 1 1804 . 1 1 157 157 ILE HD13 H 1 0.68 0.0300 . 1 . . . . 280 ILE HD1 . 17200 1 1805 . 1 1 157 157 ILE HG12 H 1 0.73 0.0300 . 1 . . . . 280 ILE HG12 . 17200 1 1806 . 1 1 157 157 ILE HG13 H 1 0.73 0.0300 . 1 . . . . 280 ILE HG13 . 17200 1 1807 . 1 1 157 157 ILE HG21 H 1 0.59 0.0300 . 1 . . . . 280 ILE HG2 . 17200 1 1808 . 1 1 157 157 ILE HG22 H 1 0.59 0.0300 . 1 . . . . 280 ILE HG2 . 17200 1 1809 . 1 1 157 157 ILE HG23 H 1 0.59 0.0300 . 1 . . . . 280 ILE HG2 . 17200 1 1810 . 1 1 157 157 ILE C C 13 176.41 0.4000 . 1 . . . . 280 ILE C . 17200 1 1811 . 1 1 157 157 ILE CA C 13 61.64 0.4000 . 1 . . . . 280 ILE CA . 17200 1 1812 . 1 1 157 157 ILE CB C 13 38.61 0.4000 . 1 . . . . 280 ILE CB . 17200 1 1813 . 1 1 157 157 ILE CD1 C 13 13.51 0.4000 . 1 . . . . 280 ILE CD1 . 17200 1 1814 . 1 1 157 157 ILE CG1 C 13 29.68 0.4000 . 1 . . . . 280 ILE CG1 . 17200 1 1815 . 1 1 157 157 ILE CG2 C 13 16.84 0.4000 . 1 . . . . 280 ILE CG2 . 17200 1 1816 . 1 1 157 157 ILE N N 15 128.19 0.4000 . 1 . . . . 280 ILE N . 17200 1 1817 . 1 1 158 158 GLU H H 1 8.72 0.0300 . 1 . . . . 281 GLU H . 17200 1 1818 . 1 1 158 158 GLU HA H 1 4.15 0.0300 . 1 . . . . 281 GLU HA . 17200 1 1819 . 1 1 158 158 GLU HB2 H 1 1.95 0.0300 . 2 . . . . 281 GLU HB2 . 17200 1 1820 . 1 1 158 158 GLU HB3 H 1 1.74 0.0300 . 2 . . . . 281 GLU HB3 . 17200 1 1821 . 1 1 158 158 GLU HG2 H 1 2.27 0.0300 . 2 . . . . 281 GLU HG2 . 17200 1 1822 . 1 1 158 158 GLU HG3 H 1 2.14 0.0300 . 2 . . . . 281 GLU HG3 . 17200 1 1823 . 1 1 158 158 GLU C C 13 175.52 0.4000 . 1 . . . . 281 GLU C . 17200 1 1824 . 1 1 158 158 GLU CA C 13 55.68 0.4000 . 1 . . . . 281 GLU CA . 17200 1 1825 . 1 1 158 158 GLU CB C 13 30.06 0.4000 . 1 . . . . 281 GLU CB . 17200 1 1826 . 1 1 158 158 GLU CG C 13 35.52 0.4000 . 1 . . . . 281 GLU CG . 17200 1 1827 . 1 1 158 158 GLU N N 15 129.29 0.4000 . 1 . . . . 281 GLU N . 17200 1 1828 . 1 1 159 159 ARG H H 1 8.37 0.0300 . 1 . . . . 282 ARG H . 17200 1 1829 . 1 1 159 159 ARG HA H 1 4.73 0.0300 . 1 . . . . 282 ARG HA . 17200 1 1830 . 1 1 159 159 ARG HB2 H 1 1.83 0.0300 . 2 . . . . 282 ARG HB2 . 17200 1 1831 . 1 1 159 159 ARG HB3 H 1 1.65 0.0300 . 2 . . . . 282 ARG HB3 . 17200 1 1832 . 1 1 159 159 ARG HD2 H 1 3.21 0.0300 . 1 . . . . 282 ARG HD2 . 17200 1 1833 . 1 1 159 159 ARG HD3 H 1 3.21 0.0300 . 1 . . . . 282 ARG HD3 . 17200 1 1834 . 1 1 159 159 ARG HG2 H 1 1.62 0.0300 . 1 . . . . 282 ARG HG2 . 17200 1 1835 . 1 1 159 159 ARG HG3 H 1 1.62 0.0300 . 1 . . . . 282 ARG HG3 . 17200 1 1836 . 1 1 159 159 ARG CA C 13 53.36 0.4000 . 1 . . . . 282 ARG CA . 17200 1 1837 . 1 1 159 159 ARG CB C 13 30.91 0.4000 . 1 . . . . 282 ARG CB . 17200 1 1838 . 1 1 159 159 ARG CD C 13 43.38 0.4000 . 1 . . . . 282 ARG CD . 17200 1 1839 . 1 1 159 159 ARG CG C 13 27.11 0.4000 . 1 . . . . 282 ARG CG . 17200 1 1840 . 1 1 159 159 ARG N N 15 123.49 0.4000 . 1 . . . . 282 ARG N . 17200 1 1841 . 1 1 160 160 PRO HA H 1 4.45 0.0300 . 1 . . . . 283 PRO HA . 17200 1 1842 . 1 1 160 160 PRO HB2 H 1 2.33 0.0300 . 2 . . . . 283 PRO HB2 . 17200 1 1843 . 1 1 160 160 PRO HB3 H 1 1.95 0.0300 . 2 . . . . 283 PRO HB3 . 17200 1 1844 . 1 1 160 160 PRO HD2 H 1 3.71 0.0300 . 2 . . . . 283 PRO HD2 . 17200 1 1845 . 1 1 160 160 PRO HD3 H 1 3.82 0.0300 . 2 . . . . 283 PRO HD3 . 17200 1 1846 . 1 1 160 160 PRO HG2 H 1 2.10 0.0300 . 2 . . . . 283 PRO HG2 . 17200 1 1847 . 1 1 160 160 PRO HG3 H 1 2.14 0.0300 . 2 . . . . 283 PRO HG3 . 17200 1 1848 . 1 1 160 160 PRO C C 13 177.53 0.4000 . 1 . . . . 283 PRO C . 17200 1 1849 . 1 1 160 160 PRO CA C 13 63.52 0.4000 . 1 . . . . 283 PRO CA . 17200 1 1850 . 1 1 160 160 PRO CB C 13 32.12 0.4000 . 1 . . . . 283 PRO CB . 17200 1 1851 . 1 1 160 160 PRO CD C 13 50.70 0.4000 . 1 . . . . 283 PRO CD . 17200 1 1852 . 1 1 160 160 PRO CG C 13 27.64 0.4000 . 1 . . . . 283 PRO CG . 17200 1 1853 . 1 1 161 161 GLY H H 1 8.62 0.0300 . 1 . . . . 284 GLY H . 17200 1 1854 . 1 1 161 161 GLY HA2 H 1 4.02 0.0300 . 2 . . . . 284 GLY HA2 . 17200 1 1855 . 1 1 161 161 GLY HA3 H 1 3.88 0.0300 . 2 . . . . 284 GLY HA3 . 17200 1 1856 . 1 1 161 161 GLY C C 13 173.28 0.4000 . 1 . . . . 284 GLY C . 17200 1 1857 . 1 1 161 161 GLY CA C 13 45.48 0.4000 . 1 . . . . 284 GLY CA . 17200 1 1858 . 1 1 161 161 GLY N N 15 110.51 0.4000 . 1 . . . . 284 GLY N . 17200 1 1859 . 1 1 162 162 GLU H H 1 7.75 0.0300 . 1 . . . . 285 GLU H . 17200 1 1860 . 1 1 162 162 GLU HA H 1 4.20 0.0300 . 1 . . . . 285 GLU HA . 17200 1 1861 . 1 1 162 162 GLU HB2 H 1 2.10 0.0300 . 1 . . . . 285 GLU HB2 . 17200 1 1862 . 1 1 162 162 GLU HB3 H 1 2.10 0.0300 . 1 . . . . 285 GLU HB3 . 17200 1 1863 . 1 1 162 162 GLU HG2 H 1 2.19 0.0300 . 1 . . . . 285 GLU HG2 . 17200 1 1864 . 1 1 162 162 GLU HG3 H 1 2.19 0.0300 . 1 . . . . 285 GLU HG3 . 17200 1 1865 . 1 1 162 162 GLU CA C 13 57.79 0.4000 . 1 . . . . 285 GLU CA . 17200 1 1866 . 1 1 162 162 GLU CB C 13 31.28 0.4000 . 1 . . . . 285 GLU CB . 17200 1 1867 . 1 1 162 162 GLU CG C 13 36.94 0.4000 . 1 . . . . 285 GLU CG . 17200 1 1868 . 1 1 162 162 GLU N N 15 125.32 0.4000 . 1 . . . . 285 GLU N . 17200 1 1869 . 2 2 2 2 ARG HA H 1 4.25 0.0300 . 1 . . . . 2 ARG HA . 17200 1 1870 . 2 2 2 2 ARG HB2 H 1 1.72 0.0300 . 2 . . . . 2 ARG HB2 . 17200 1 1871 . 2 2 2 2 ARG HB3 H 1 1.77 0.0300 . 2 . . . . 2 ARG HB3 . 17200 1 1872 . 2 2 2 2 ARG HD2 H 1 3.15 0.0300 . 1 . . . . 2 ARG HD2 . 17200 1 1873 . 2 2 2 2 ARG HD3 H 1 3.15 0.0300 . 1 . . . . 2 ARG HD3 . 17200 1 1874 . 2 2 2 2 ARG HG2 H 1 1.57 0.0300 . 1 . . . . 2 ARG HG2 . 17200 1 1875 . 2 2 2 2 ARG HG3 H 1 1.57 0.0300 . 1 . . . . 2 ARG HG3 . 17200 1 1876 . 2 2 3 3 THR H H 1 7.76 0.0300 . 1 . . . . 3 THR H . 17200 1 1877 . 2 2 3 3 THR HA H 1 4.20 0.0300 . 1 . . . . 3 THR HA . 17200 1 1878 . 2 2 3 3 THR HB H 1 4.10 0.0300 . 1 . . . . 3 THR HB . 17200 1 1879 . 2 2 3 3 THR HG21 H 1 1.10 0.0300 . 1 . . . . 3 THR HG2 . 17200 1 1880 . 2 2 3 3 THR HG22 H 1 1.10 0.0300 . 1 . . . . 3 THR HG2 . 17200 1 1881 . 2 2 3 3 THR HG23 H 1 1.10 0.0300 . 1 . . . . 3 THR HG2 . 17200 1 1882 . 2 2 4 4 LYS HA H 1 4.34 0.0300 . 1 . . . . 4 LYS HA . 17200 1 1883 . 2 2 4 4 LYS HB2 H 1 1.84 0.0300 . 1 . . . . 4 LYS HB2 . 17200 1 1884 . 2 2 4 4 LYS HB3 H 1 1.84 0.0300 . 1 . . . . 4 LYS HB3 . 17200 1 1885 . 2 2 4 4 LYS HD2 H 1 1.76 0.0300 . 1 . . . . 4 LYS HD2 . 17200 1 1886 . 2 2 4 4 LYS HD3 H 1 1.76 0.0300 . 1 . . . . 4 LYS HD3 . 17200 1 1887 . 2 2 4 4 LYS HE2 H 1 3.25 0.0300 . 1 . . . . 4 LYS HE2 . 17200 1 1888 . 2 2 4 4 LYS HE3 H 1 3.25 0.0300 . 1 . . . . 4 LYS HE3 . 17200 1 1889 . 2 2 4 4 LYS HG2 H 1 1.38 0.0300 . 1 . . . . 4 LYS HG2 . 17200 1 1890 . 2 2 4 4 LYS HG3 H 1 1.38 0.0300 . 1 . . . . 4 LYS HG3 . 17200 1 1891 . 2 2 5 5 GLN HA H 1 4.31 0.0300 . 1 . . . . 5 GLN HA . 17200 1 1892 . 2 2 5 5 GLN HB2 H 1 1.93 0.0300 . 2 . . . . 5 GLN HB2 . 17200 1 1893 . 2 2 5 5 GLN HB3 H 1 2.05 0.0300 . 2 . . . . 5 GLN HB3 . 17200 1 1894 . 2 2 5 5 GLN HE21 H 1 7.50 0.0300 . 2 . . . . 5 GLN HE21 . 17200 1 1895 . 2 2 5 5 GLN HE22 H 1 6.80 0.0300 . 2 . . . . 5 GLN HE22 . 17200 1 1896 . 2 2 5 5 GLN HG2 H 1 2.33 0.0300 . 1 . . . . 5 GLN HG2 . 17200 1 1897 . 2 2 5 5 GLN HG3 H 1 2.33 0.0300 . 1 . . . . 5 GLN HG3 . 17200 1 1898 . 2 2 6 6 THR H H 1 7.37 0.0300 . 1 . . . . 6 THR H . 17200 1 1899 . 2 2 6 6 THR HA H 1 4.26 0.0300 . 1 . . . . 6 THR HA . 17200 1 1900 . 2 2 6 6 THR HB H 1 4.14 0.0300 . 1 . . . . 6 THR HB . 17200 1 1901 . 2 2 6 6 THR HG21 H 1 1.15 0.0300 . 1 . . . . 6 THR HG2 . 17200 1 1902 . 2 2 6 6 THR HG22 H 1 1.15 0.0300 . 1 . . . . 6 THR HG2 . 17200 1 1903 . 2 2 6 6 THR HG23 H 1 1.15 0.0300 . 1 . . . . 6 THR HG2 . 17200 1 1904 . 2 2 7 7 ALA HA H 1 3.59 0.0300 . 1 . . . . 7 ALA HA . 17200 1 1905 . 2 2 7 7 ALA HB1 H 1 1.12 0.0300 . 1 . . . . 7 ALA HB . 17200 1 1906 . 2 2 7 7 ALA HB2 H 1 1.12 0.0300 . 1 . . . . 7 ALA HB . 17200 1 1907 . 2 2 7 7 ALA HB3 H 1 1.12 0.0300 . 1 . . . . 7 ALA HB . 17200 1 1908 . 2 2 8 8 ARG HA H 1 4.34 0.0300 . 1 . . . . 8 ARG HA . 17200 1 1909 . 2 2 8 8 ARG HB2 H 1 1.77 0.0300 . 1 . . . . 8 ARG HB2 . 17200 1 1910 . 2 2 8 8 ARG HB3 H 1 1.77 0.0300 . 1 . . . . 8 ARG HB3 . 17200 1 1911 . 2 2 8 8 ARG HD2 H 1 3.23 0.0300 . 2 . . . . 8 ARG HD2 . 17200 1 1912 . 2 2 8 8 ARG HD3 H 1 3.17 0.0300 . 2 . . . . 8 ARG HD3 . 17200 1 1913 . 2 2 8 8 ARG HG2 H 1 1.66 0.0300 . 1 . . . . 8 ARG HG2 . 17200 1 1914 . 2 2 8 8 ARG HG3 H 1 1.66 0.0300 . 1 . . . . 8 ARG HG3 . 17200 1 1915 . 2 2 9 9 M3L HA H 1 4.27 0.0300 . 1 . . . . 9 LYS HA . 17200 1 1916 . 2 2 9 9 M3L HB2 H 1 1.75 0.0300 . 1 . . . . 9 LYS HB2 . 17200 1 1917 . 2 2 9 9 M3L HB3 H 1 1.75 0.0300 . 1 . . . . 9 LYS HB3 . 17200 1 1918 . 2 2 9 9 M3L HD2 H 1 1.62 0.0300 . 1 . . . . 9 LYS HD2 . 17200 1 1919 . 2 2 9 9 M3L HD3 H 1 1.62 0.0300 . 1 . . . . 9 LYS HD3 . 17200 1 1920 . 2 2 9 9 M3L HE2 H 1 2.94 0.0300 . 1 . . . . 9 LYS HE2 . 17200 1 1921 . 2 2 9 9 M3L HE3 H 1 2.94 0.0300 . 1 . . . . 9 LYS HE3 . 17200 1 1922 . 2 2 9 9 M3L HG2 H 1 1.35 0.0300 . 1 . . . . 9 LYS HG2 . 17200 1 1923 . 2 2 9 9 M3L HG3 H 1 1.35 0.0300 . 1 . . . . 9 LYS HG3 . 17200 1 1924 . 2 2 10 10 SER HA H 1 4.48 0.0300 . 1 . . . . 10 SER HA . 17200 1 1925 . 2 2 10 10 SER HB2 H 1 3.85 0.0300 . 1 . . . . 10 SER HB2 . 17200 1 1926 . 2 2 10 10 SER HB3 H 1 3.85 0.0300 . 1 . . . . 10 SER HB3 . 17200 1 stop_ save_ ######################### # Spectral peak lists # ######################### save_peak_list_1 _Spectral_peak_list.Sf_category spectral_peak_list _Spectral_peak_list.Sf_framecode peak_list_1 _Spectral_peak_list.Entry_ID 17200 _Spectral_peak_list.ID 1 _Spectral_peak_list.Sample_ID . _Spectral_peak_list.Sample_label . _Spectral_peak_list.Sample_condition_list_ID 1 _Spectral_peak_list.Sample_condition_list_label $sample_conditions_1 _Spectral_peak_list.Experiment_ID . _Spectral_peak_list.Experiment_name . _Spectral_peak_list.Number_of_spectral_dimensions . _Spectral_peak_list.Details . _Spectral_peak_list.Text_data_format . _Spectral_peak_list.Text_data . loop_ _Peak_general_char.Peak_ID _Peak_general_char.Intensity_val _Peak_general_char.Intensity_val_err _Peak_general_char.Measurement_method _Peak_general_char.Entry_ID _Peak_general_char.Spectral_peak_list_ID 1 1.3E7 . volume 17200 1 2 1.74E7 . volume 17200 1 3 1.7E7 . volume 17200 1 4 1.22E7 . volume 17200 1 5 3.31E7 . volume 17200 1 6 1.41E7 . volume 17200 1 7 1.17E7 . volume 17200 1 8 1.2E7 . volume 17200 1 9 4.87E8 . volume 17200 1 10 2.89E7 . volume 17200 1 11 1.28E7 . volume 17200 1 12 1.57E7 . volume 17200 1 13 1.65E7 . volume 17200 1 14 9950000.0 . volume 17200 1 15 2.26E8 . volume 17200 1 16 1.31E7 . volume 17200 1 17 8880000.0 . volume 17200 1 18 9690000.0 . volume 17200 1 19 1.16E7 . volume 17200 1 20 1.87E7 . volume 17200 1 21 2.1E7 . volume 17200 1 22 1.25E7 . volume 17200 1 23 3.97E8 . volume 17200 1 24 1.48E7 . volume 17200 1 25 9910000.0 . volume 17200 1 26 8200000.0 . volume 17200 1 27 1.52E7 . volume 17200 1 28 1.26E7 . volume 17200 1 29 8040000.0 . volume 17200 1 30 8690000.0 . volume 17200 1 31 1.34E7 . volume 17200 1 32 5.16E7 . volume 17200 1 33 2.7E7 . volume 17200 1 34 8820000.0 . volume 17200 1 35 5360000.0 . volume 17200 1 36 7270000.0 . volume 17200 1 37 1.1E7 . volume 17200 1 38 7080000.0 . volume 17200 1 39 6330000.0 . volume 17200 1 40 5870000.0 . volume 17200 1 41 1.33E7 . volume 17200 1 42 7270000.0 . volume 17200 1 43 6120000.0 . volume 17200 1 44 9470000.0 . volume 17200 1 45 5820000.0 . volume 17200 1 46 6380000.0 . volume 17200 1 47 7340000.0 . volume 17200 1 48 6370000.0 . volume 17200 1 49 6360000.0 . volume 17200 1 50 7790000.0 . volume 17200 1 51 1.31E7 . volume 17200 1 52 4.49E7 . volume 17200 1 53 8420000.0 . volume 17200 1 54 8050000.0 . volume 17200 1 55 7960000.0 . volume 17200 1 56 9090000.0 . volume 17200 1 57 7150000.0 . volume 17200 1 58 1.11E7 . volume 17200 1 59 9790000.0 . volume 17200 1 60 4940000.0 . volume 17200 1 61 1.06E7 . volume 17200 1 62 1.19E7 . volume 17200 1 63 8270000.0 . volume 17200 1 64 1.2E7 . volume 17200 1 65 1.44E7 . volume 17200 1 66 7640000.0 . volume 17200 1 67 2.75E7 . volume 17200 1 68 6460000.0 . volume 17200 1 69 7060000.0 . volume 17200 1 70 4360000.0 . volume 17200 1 71 2.33E7 . volume 17200 1 72 9420000.0 . volume 17200 1 73 5840000.0 . volume 17200 1 74 6230000.0 . volume 17200 1 75 7770000.0 . volume 17200 1 76 7380000.0 . volume 17200 1 77 6430000.0 . volume 17200 1 78 8140000.0 . volume 17200 1 79 4.79E7 . volume 17200 1 80 2.56E7 . volume 17200 1 81 7030000.0 . volume 17200 1 82 6130000.0 . volume 17200 1 83 7770000.0 . volume 17200 1 84 6190000.0 . volume 17200 1 85 5750000.0 . volume 17200 1 86 7.24E7 . volume 17200 1 87 1.6E7 . volume 17200 1 88 9870000.0 . volume 17200 1 89 8340000.0 . volume 17200 1 90 7150000.0 . volume 17200 1 91 6310000.0 . volume 17200 1 92 8900000.0 . volume 17200 1 93 5540000.0 . volume 17200 1 94 5590000.0 . volume 17200 1 95 1.14E7 . volume 17200 1 96 2.78E7 . volume 17200 1 97 3.55E7 . volume 17200 1 98 3.01E7 . volume 17200 1 99 1.73E7 . volume 17200 1 100 4.38E7 . volume 17200 1 101 1.47E7 . volume 17200 1 102 2.06E9 . volume 17200 1 103 6.97E8 . volume 17200 1 104 1.54E7 . volume 17200 1 105 1.5E7 . volume 17200 1 106 1.34E9 . volume 17200 1 107 1.19E8 . volume 17200 1 108 1.23E8 . volume 17200 1 109 1.12E8 . volume 17200 1 110 1.58E9 . volume 17200 1 111 1.9E7 . volume 17200 1 112 1.53E8 . volume 17200 1 113 1.16E7 . volume 17200 1 114 7.15E8 . volume 17200 1 115 1.09E7 . volume 17200 1 116 7230000.0 . volume 17200 1 117 9880000.0 . volume 17200 1 118 3.33E7 . volume 17200 1 119 1.18E7 . volume 17200 1 120 5200000.0 . volume 17200 1 121 1.87E7 . volume 17200 1 122 9450000.0 . volume 17200 1 123 1.54E8 . volume 17200 1 124 2.29E7 . volume 17200 1 125 9400000.0 . volume 17200 1 126 1.04E7 . volume 17200 1 127 8900000.0 . volume 17200 1 128 1.34E7 . volume 17200 1 129 2.55E7 . volume 17200 1 130 2.04E7 . volume 17200 1 131 2.24E7 . volume 17200 1 132 1.05E7 . volume 17200 1 133 2.32E7 . volume 17200 1 134 1.21E7 . volume 17200 1 135 8.3E8 . volume 17200 1 136 3.28E8 . volume 17200 1 137 2.98E8 . volume 17200 1 138 1.45E9 . volume 17200 1 139 2.57E7 . volume 17200 1 140 1.41E7 . volume 17200 1 141 5830000.0 . volume 17200 1 142 3880000.0 . volume 17200 1 143 4470000.0 . volume 17200 1 144 3.51E7 . volume 17200 1 145 1.31E7 . volume 17200 1 146 1.15E7 . volume 17200 1 147 5440000.0 . volume 17200 1 148 1.89E7 . volume 17200 1 149 1.6E7 . volume 17200 1 150 1.06E7 . volume 17200 1 151 1.28E7 . volume 17200 1 152 1.74E7 . volume 17200 1 153 1.57E7 . volume 17200 1 154 1.05E7 . volume 17200 1 155 1.61E7 . volume 17200 1 156 1.74E7 . volume 17200 1 157 2.7E7 . volume 17200 1 158 1.3E7 . volume 17200 1 159 6620000.0 . volume 17200 1 160 6760000.0 . volume 17200 1 161 1.57E7 . volume 17200 1 162 1.18E7 . volume 17200 1 163 8290000.0 . volume 17200 1 164 1.23E7 . volume 17200 1 165 9.15E7 . volume 17200 1 166 3.26E7 . volume 17200 1 167 1.12E7 . volume 17200 1 168 1.99E7 . volume 17200 1 169 6.99E7 . volume 17200 1 170 1.61E7 . volume 17200 1 171 2.83E8 . volume 17200 1 172 1.15E7 . volume 17200 1 173 9130000.0 . volume 17200 1 174 1.08E7 . volume 17200 1 175 1.46E7 . volume 17200 1 176 1.2E7 . volume 17200 1 177 2.14E8 . volume 17200 1 178 8.49E7 . volume 17200 1 179 6390000.0 . volume 17200 1 180 6.67E7 . volume 17200 1 181 2.42E7 . volume 17200 1 182 2.33E7 . volume 17200 1 183 8910000.0 . volume 17200 1 184 1.82E7 . volume 17200 1 185 6.6E7 . volume 17200 1 186 8850000.0 . volume 17200 1 187 1.26E7 . volume 17200 1 188 8220000.0 . volume 17200 1 189 1.44E7 . volume 17200 1 190 1.5E7 . volume 17200 1 191 4.28E7 . volume 17200 1 192 1.29E7 . volume 17200 1 193 7850000.0 . volume 17200 1 194 8380000.0 . volume 17200 1 195 1.27E7 . volume 17200 1 196 1.24E7 . volume 17200 1 197 1.29E7 . volume 17200 1 198 2.99E7 . volume 17200 1 199 1.56E7 . volume 17200 1 200 6400000.0 . volume 17200 1 201 4370000.0 . volume 17200 1 202 8.73E7 . volume 17200 1 203 6630000.0 . volume 17200 1 204 4.16E7 . volume 17200 1 205 5920000.0 . volume 17200 1 206 6930000.0 . volume 17200 1 207 7690000.0 . volume 17200 1 208 8.37E7 . volume 17200 1 209 2.1E7 . volume 17200 1 210 6260000.0 . volume 17200 1 211 2.92E7 . volume 17200 1 212 7.55E7 . volume 17200 1 213 3.59E7 . volume 17200 1 214 5510000.0 . volume 17200 1 215 9660000.0 . volume 17200 1 216 1.18E7 . volume 17200 1 217 1.86E7 . volume 17200 1 218 5.58E7 . volume 17200 1 219 6.01E7 . volume 17200 1 220 2.07E7 . volume 17200 1 221 1.47E7 . volume 17200 1 222 3.72E7 . volume 17200 1 223 1.78E7 . volume 17200 1 224 2.14E7 . volume 17200 1 225 2.5E7 . volume 17200 1 226 1.23E7 . volume 17200 1 227 1.5E7 . volume 17200 1 228 1.02E7 . volume 17200 1 229 8720000.0 . volume 17200 1 230 1.67E7 . volume 17200 1 231 1.87E7 . volume 17200 1 232 1.74E7 . volume 17200 1 233 1.26E7 . volume 17200 1 234 2.33E8 . volume 17200 1 235 8640000.0 . volume 17200 1 236 1.19E7 . volume 17200 1 237 7470000.0 . volume 17200 1 238 8200000.0 . volume 17200 1 239 1.06E7 . volume 17200 1 240 5980000.0 . volume 17200 1 241 4.04E7 . volume 17200 1 242 6.96E7 . volume 17200 1 243 1.66E7 . volume 17200 1 244 5240000.0 . volume 17200 1 245 5190000.0 . volume 17200 1 246 3.1E7 . volume 17200 1 247 1.24E7 . volume 17200 1 248 1.67E7 . volume 17200 1 249 3.77E7 . volume 17200 1 250 1.2E7 . volume 17200 1 251 8160000.0 . volume 17200 1 252 2.42E7 . volume 17200 1 253 7930000.0 . volume 17200 1 254 7890000.0 . volume 17200 1 255 7690000.0 . volume 17200 1 256 7060000.0 . volume 17200 1 257 6580000.0 . volume 17200 1 258 7590000.0 . volume 17200 1 259 6640000.0 . volume 17200 1 260 2.23E7 . volume 17200 1 261 6130000.0 . volume 17200 1 262 5380000.0 . volume 17200 1 263 2.98E7 . volume 17200 1 264 5.26E7 . volume 17200 1 265 6980000.0 . volume 17200 1 266 4800000.0 . volume 17200 1 267 6310000.0 . volume 17200 1 268 1.14E7 . volume 17200 1 269 8360000.0 . volume 17200 1 270 5150000.0 . volume 17200 1 271 4880000.0 . volume 17200 1 272 7910000.0 . volume 17200 1 stop_ loop_ _Peak_char.Peak_ID _Peak_char.Spectral_dim_ID _Peak_char.Chem_shift_val _Peak_char.Chem_shift_val_err _Peak_char.Line_width_val _Peak_char.Line_width_val_err _Peak_char.Phase_val _Peak_char.Phase_val_err _Peak_char.Decay_rate_val _Peak_char.Decay_rate_val_err _Peak_char.Coupling_pattern _Peak_char.Bounding_box_upper_val _Peak_char.Bounding_box_lower_val _Peak_char.Bounding_box_range_val _Peak_char.Details _Peak_char.Derivation_method_ID _Peak_char.Entry_ID _Peak_char.Spectral_peak_list_ID 1 1 137.499 . . . . . . . . . . . . . 17200 1 1 2 1.493 . . . . . . . . . . . . . 17200 1 1 3 7.396 . . . . . . . . . . . . . 17200 1 2 1 132.752 . . . . . . . . . . . . . 17200 1 2 2 1.91 . . . . . . . . . . . . . 17200 1 2 3 7.291 . . . . . . . . . . . . . 17200 1 3 1 132.752 . . . . . . . . . . . . . 17200 1 3 2 1.786 . . . . . . . . . . . . . 17200 1 3 3 7.291 . . . . . . . . . . . . . 17200 1 4 1 132.752 . . . . . . . . . . . . . 17200 1 4 2 1.497 . . . . . . . . . . . . . 17200 1 4 3 7.291 . . . . . . . . . . . . . 17200 1 5 1 132.752 . . . . . . . . . . . . . 17200 1 5 2 8.668 . . . . . . . . . . . . . 17200 1 5 3 7.291 . . . . . . . . . . . . . 17200 1 6 1 118.185 . . . . . . . . . . . . . 17200 1 6 2 0.455 . . . . . . . . . . . . . 17200 1 6 3 6.827 . . . . . . . . . . . . . 17200 1 7 1 132.778 . . . . . . . . . . . . . 17200 1 7 2 2.936 . . . . . . . . . . . . . 17200 1 7 3 7.222 . . . . . . . . . . . . . 17200 1 8 1 132.778 . . . . . . . . . . . . . 17200 1 8 2 3.167 . . . . . . . . . . . . . 17200 1 8 3 7.222 . . . . . . . . . . . . . 17200 1 9 1 117.9 . . . . . . . . . . . . . 17200 1 9 2 6.709 . . . . . . . . . . . . . 17200 1 9 3 6.708 . . . . . . . . . . . . . 17200 1 10 1 117.9 . . . . . . . . . . . . . 17200 1 10 2 0.945 . . . . . . . . . . . . . 17200 1 10 3 6.707 . . . . . . . . . . . . . 17200 1 11 1 118.009 . . . . . . . . . . . . . 17200 1 11 2 0.083 . . . . . . . . . . . . . 17200 1 11 3 6.69 . . . . . . . . . . . . . 17200 1 12 1 118.009 . . . . . . . . . . . . . 17200 1 12 2 0.729 . . . . . . . . . . . . . 17200 1 12 3 6.689 . . . . . . . . . . . . . 17200 1 13 1 118.009 . . . . . . . . . . . . . 17200 1 13 2 1.263 . . . . . . . . . . . . . 17200 1 13 3 6.689 . . . . . . . . . . . . . 17200 1 14 1 118.009 . . . . . . . . . . . . . 17200 1 14 2 2.262 . . . . . . . . . . . . . 17200 1 14 3 6.688 . . . . . . . . . . . . . 17200 1 15 1 118.009 . . . . . . . . . . . . . 17200 1 15 2 6.687 . . . . . . . . . . . . . 17200 1 15 3 6.684 . . . . . . . . . . . . . 17200 1 16 1 132.853 . . . . . . . . . . . . . 17200 1 16 2 0.718 . . . . . . . . . . . . . 17200 1 16 3 6.675 . . . . . . . . . . . . . 17200 1 17 1 120.859 . . . . . . . . . . . . . 17200 1 17 2 3.012 . . . . . . . . . . . . . 17200 1 17 3 7.633 . . . . . . . . . . . . . 17200 1 18 1 137.499 . . . . . . . . . . . . . 17200 1 18 2 6.799 . . . . . . . . . . . . . 17200 1 18 3 7.394 . . . . . . . . . . . . . 17200 1 19 1 133.071 . . . . . . . . . . . . . 17200 1 19 2 3.968 . . . . . . . . . . . . . 17200 1 19 3 6.725 . . . . . . . . . . . . . 17200 1 20 1 133.071 . . . . . . . . . . . . . 17200 1 20 2 1.872 . . . . . . . . . . . . . 17200 1 20 3 6.725 . . . . . . . . . . . . . 17200 1 21 1 133.071 . . . . . . . . . . . . . 17200 1 21 2 1.659 . . . . . . . . . . . . . 17200 1 21 3 6.724 . . . . . . . . . . . . . 17200 1 22 1 117.876 . . . . . . . . . . . . . 17200 1 22 2 2.211 . . . . . . . . . . . . . 17200 1 22 3 6.721 . . . . . . . . . . . . . 17200 1 23 1 117.876 . . . . . . . . . . . . . 17200 1 23 2 6.724 . . . . . . . . . . . . . 17200 1 23 3 6.725 . . . . . . . . . . . . . 17200 1 24 1 117.876 . . . . . . . . . . . . . 17200 1 24 2 8.931 . . . . . . . . . . . . . 17200 1 24 3 6.724 . . . . . . . . . . . . . 17200 1 25 1 129.654 . . . . . . . . . . . . . 17200 1 25 2 4.433 . . . . . . . . . . . . . 17200 1 25 3 7.23 . . . . . . . . . . . . . 17200 1 26 1 118.533 . . . . . . . . . . . . . 17200 1 26 2 1.392 . . . . . . . . . . . . . 17200 1 26 3 6.899 . . . . . . . . . . . . . 17200 1 27 1 118.663 . . . . . . . . . . . . . 17200 1 27 2 4.329 . . . . . . . . . . . . . 17200 1 27 3 7.064 . . . . . . . . . . . . . 17200 1 28 1 117.9 . . . . . . . . . . . . . 17200 1 28 2 3.373 . . . . . . . . . . . . . 17200 1 28 3 6.709 . . . . . . . . . . . . . 17200 1 29 1 137.499 . . . . . . . . . . . . . 17200 1 29 2 2.579 . . . . . . . . . . . . . 17200 1 29 3 7.396 . . . . . . . . . . . . . 17200 1 30 1 128.09 . . . . . . . . . . . . . 17200 1 30 2 9.14 . . . . . . . . . . . . . 17200 1 30 3 7.198 . . . . . . . . . . . . . 17200 1 31 1 132.853 . . . . . . . . . . . . . 17200 1 31 2 0.072 . . . . . . . . . . . . . 17200 1 31 3 6.676 . . . . . . . . . . . . . 17200 1 32 1 118.009 . . . . . . . . . . . . . 17200 1 32 2 4.772 . . . . . . . . . . . . . 17200 1 32 3 6.686 . . . . . . . . . . . . . 17200 1 33 1 132.393 . . . . . . . . . . . . . 17200 1 33 2 0.718 . . . . . . . . . . . . . 17200 1 33 3 6.906 . . . . . . . . . . . . . 17200 1 34 1 132.393 . . . . . . . . . . . . . 17200 1 34 2 4.303 . . . . . . . . . . . . . 17200 1 34 3 6.906 . . . . . . . . . . . . . 17200 1 35 1 132.393 . . . . . . . . . . . . . 17200 1 35 2 4.916 . . . . . . . . . . . . . 17200 1 35 3 6.905 . . . . . . . . . . . . . 17200 1 36 1 118.663 . . . . . . . . . . . . . 17200 1 36 2 6.698 . . . . . . . . . . . . . 17200 1 36 3 7.063 . . . . . . . . . . . . . 17200 1 37 1 114.055 . . . . . . . . . . . . . 17200 1 37 2 2.236 . . . . . . . . . . . . . 17200 1 37 3 7.279 . . . . . . . . . . . . . 17200 1 38 1 117.876 . . . . . . . . . . . . . 17200 1 38 2 3.935 . . . . . . . . . . . . . 17200 1 38 3 6.699 . . . . . . . . . . . . . 17200 1 39 1 118.257 . . . . . . . . . . . . . 17200 1 39 2 0.817 . . . . . . . . . . . . . 17200 1 39 3 7.121 . . . . . . . . . . . . . 17200 1 40 1 118.533 . . . . . . . . . . . . . 17200 1 40 2 2.451 . . . . . . . . . . . . . 17200 1 40 3 6.898 . . . . . . . . . . . . . 17200 1 41 1 132.778 . . . . . . . . . . . . . 17200 1 41 2 3.382 . . . . . . . . . . . . . 17200 1 41 3 7.223 . . . . . . . . . . . . . 17200 1 42 1 133.071 . . . . . . . . . . . . . 17200 1 42 2 1.138 . . . . . . . . . . . . . 17200 1 42 3 6.723 . . . . . . . . . . . . . 17200 1 43 1 133.318 . . . . . . . . . . . . . 17200 1 43 2 6.72 . . . . . . . . . . . . . 17200 1 43 3 7.617 . . . . . . . . . . . . . 17200 1 44 1 121.295 . . . . . . . . . . . . . 17200 1 44 2 7.553 . . . . . . . . . . . . . 17200 1 44 3 7.547 . . . . . . . . . . . . . 17200 1 45 1 121.295 . . . . . . . . . . . . . 17200 1 45 2 0.942 . . . . . . . . . . . . . 17200 1 45 3 7.537 . . . . . . . . . . . . . 17200 1 46 1 114.055 . . . . . . . . . . . . . 17200 1 46 2 3.189 . . . . . . . . . . . . . 17200 1 46 3 7.268 . . . . . . . . . . . . . 17200 1 47 1 128.849 . . . . . . . . . . . . . 17200 1 47 2 7.048 . . . . . . . . . . . . . 17200 1 47 3 6.907 . . . . . . . . . . . . . 17200 1 48 1 131.625 . . . . . . . . . . . . . 17200 1 48 2 3.865 . . . . . . . . . . . . . 17200 1 48 3 7.116 . . . . . . . . . . . . . 17200 1 49 1 131.625 . . . . . . . . . . . . . 17200 1 49 2 4.907 . . . . . . . . . . . . . 17200 1 49 3 7.113 . . . . . . . . . . . . . 17200 1 50 1 128.09 . . . . . . . . . . . . . 17200 1 50 2 7.061 . . . . . . . . . . . . . 17200 1 50 3 7.197 . . . . . . . . . . . . . 17200 1 51 1 117.876 . . . . . . . . . . . . . 17200 1 51 2 3.202 . . . . . . . . . . . . . 17200 1 51 3 6.724 . . . . . . . . . . . . . 17200 1 52 1 132.752 . . . . . . . . . . . . . 17200 1 52 2 7.219 . . . . . . . . . . . . . 17200 1 52 3 7.291 . . . . . . . . . . . . . 17200 1 53 1 132.752 . . . . . . . . . . . . . 17200 1 53 2 5.086 . . . . . . . . . . . . . 17200 1 53 3 7.29 . . . . . . . . . . . . . 17200 1 54 1 132.752 . . . . . . . . . . . . . 17200 1 54 2 4.105 . . . . . . . . . . . . . 17200 1 54 3 7.291 . . . . . . . . . . . . . 17200 1 55 1 132.752 . . . . . . . . . . . . . 17200 1 55 2 2.522 . . . . . . . . . . . . . 17200 1 55 3 7.285 . . . . . . . . . . . . . 17200 1 56 1 132.752 . . . . . . . . . . . . . 17200 1 56 2 2.234 . . . . . . . . . . . . . 17200 1 56 3 7.286 . . . . . . . . . . . . . 17200 1 57 1 132.752 . . . . . . . . . . . . . 17200 1 57 2 2.006 . . . . . . . . . . . . . 17200 1 57 3 7.29 . . . . . . . . . . . . . 17200 1 58 1 132.752 . . . . . . . . . . . . . 17200 1 58 2 1.553 . . . . . . . . . . . . . 17200 1 58 3 7.292 . . . . . . . . . . . . . 17200 1 59 1 132.752 . . . . . . . . . . . . . 17200 1 59 2 0.089 . . . . . . . . . . . . . 17200 1 59 3 7.292 . . . . . . . . . . . . . 17200 1 60 1 132.752 . . . . . . . . . . . . . 17200 1 60 2 0.345 . . . . . . . . . . . . . 17200 1 60 3 7.291 . . . . . . . . . . . . . 17200 1 61 1 118.185 . . . . . . . . . . . . . 17200 1 61 2 0.27 . . . . . . . . . . . . . 17200 1 61 3 6.825 . . . . . . . . . . . . . 17200 1 62 1 118.185 . . . . . . . . . . . . . 17200 1 62 2 0.946 . . . . . . . . . . . . . 17200 1 62 3 6.821 . . . . . . . . . . . . . 17200 1 63 1 118.185 . . . . . . . . . . . . . 17200 1 63 2 1.511 . . . . . . . . . . . . . 17200 1 63 3 6.827 . . . . . . . . . . . . . 17200 1 64 1 118.185 . . . . . . . . . . . . . 17200 1 64 2 1.787 . . . . . . . . . . . . . 17200 1 64 3 6.827 . . . . . . . . . . . . . 17200 1 65 1 118.185 . . . . . . . . . . . . . 17200 1 65 2 1.911 . . . . . . . . . . . . . 17200 1 65 3 6.827 . . . . . . . . . . . . . 17200 1 66 1 118.185 . . . . . . . . . . . . . 17200 1 66 2 2.262 . . . . . . . . . . . . . 17200 1 66 3 6.831 . . . . . . . . . . . . . 17200 1 67 1 118.185 . . . . . . . . . . . . . 17200 1 67 2 6.676 . . . . . . . . . . . . . 17200 1 67 3 6.826 . . . . . . . . . . . . . 17200 1 68 1 115.346 . . . . . . . . . . . . . 17200 1 68 2 2.873 . . . . . . . . . . . . . 17200 1 68 3 7.376 . . . . . . . . . . . . . 17200 1 69 1 127.676 . . . . . . . . . . . . . 17200 1 69 2 5.289 . . . . . . . . . . . . . 17200 1 69 3 7.113 . . . . . . . . . . . . . 17200 1 70 1 127.676 . . . . . . . . . . . . . 17200 1 70 2 3.401 . . . . . . . . . . . . . 17200 1 70 3 7.119 . . . . . . . . . . . . . 17200 1 71 1 128.831 . . . . . . . . . . . . . 17200 1 71 2 7.127 . . . . . . . . . . . . . 17200 1 71 3 7.039 . . . . . . . . . . . . . 17200 1 72 1 128.831 . . . . . . . . . . . . . 17200 1 72 2 7.267 . . . . . . . . . . . . . 17200 1 72 3 7.04 . . . . . . . . . . . . . 17200 1 73 1 128.831 . . . . . . . . . . . . . 17200 1 73 2 3.155 . . . . . . . . . . . . . 17200 1 73 3 7.039 . . . . . . . . . . . . . 17200 1 74 1 128.831 . . . . . . . . . . . . . 17200 1 74 2 2.434 . . . . . . . . . . . . . 17200 1 74 3 7.037 . . . . . . . . . . . . . 17200 1 75 1 128.831 . . . . . . . . . . . . . 17200 1 75 2 0.183 . . . . . . . . . . . . . 17200 1 75 3 7.038 . . . . . . . . . . . . . 17200 1 76 1 128.831 . . . . . . . . . . . . . 17200 1 76 2 2.553 . . . . . . . . . . . . . 17200 1 76 3 7.038 . . . . . . . . . . . . . 17200 1 77 1 128.831 . . . . . . . . . . . . . 17200 1 77 2 3.862 . . . . . . . . . . . . . 17200 1 77 3 7.039 . . . . . . . . . . . . . 17200 1 78 1 128.831 . . . . . . . . . . . . . 17200 1 78 2 4.786 . . . . . . . . . . . . . 17200 1 78 3 7.039 . . . . . . . . . . . . . 17200 1 79 1 128.831 . . . . . . . . . . . . . 17200 1 79 2 7.044 . . . . . . . . . . . . . 17200 1 79 3 7.038 . . . . . . . . . . . . . 17200 1 80 1 129.648 . . . . . . . . . . . . . 17200 1 80 2 6.731 . . . . . . . . . . . . . 17200 1 80 3 6.733 . . . . . . . . . . . . . 17200 1 81 1 129.648 . . . . . . . . . . . . . 17200 1 81 2 1.25 . . . . . . . . . . . . . 17200 1 81 3 6.743 . . . . . . . . . . . . . 17200 1 82 1 133.318 . . . . . . . . . . . . . 17200 1 82 2 2.5 . . . . . . . . . . . . . 17200 1 82 3 7.623 . . . . . . . . . . . . . 17200 1 83 1 129.648 . . . . . . . . . . . . . 17200 1 83 2 7.42 . . . . . . . . . . . . . 17200 1 83 3 6.728 . . . . . . . . . . . . . 17200 1 84 1 129.648 . . . . . . . . . . . . . 17200 1 84 2 7.247 . . . . . . . . . . . . . 17200 1 84 3 6.729 . . . . . . . . . . . . . 17200 1 85 1 129.648 . . . . . . . . . . . . . 17200 1 85 2 0.835 . . . . . . . . . . . . . 17200 1 85 3 6.75 . . . . . . . . . . . . . 17200 1 86 1 131.716 . . . . . . . . . . . . . 17200 1 86 2 7.439 . . . . . . . . . . . . . 17200 1 86 3 7.436 . . . . . . . . . . . . . 17200 1 87 1 131.716 . . . . . . . . . . . . . 17200 1 87 2 7.625 . . . . . . . . . . . . . 17200 1 87 3 7.435 . . . . . . . . . . . . . 17200 1 88 1 131.716 . . . . . . . . . . . . . 17200 1 88 2 6.738 . . . . . . . . . . . . . 17200 1 88 3 7.435 . . . . . . . . . . . . . 17200 1 89 1 131.716 . . . . . . . . . . . . . 17200 1 89 2 7.333 . . . . . . . . . . . . . 17200 1 89 3 7.434 . . . . . . . . . . . . . 17200 1 90 1 131.716 . . . . . . . . . . . . . 17200 1 90 2 2.711 . . . . . . . . . . . . . 17200 1 90 3 7.419 . . . . . . . . . . . . . 17200 1 91 1 131.716 . . . . . . . . . . . . . 17200 1 91 2 1.232 . . . . . . . . . . . . . 17200 1 91 3 7.422 . . . . . . . . . . . . . 17200 1 92 1 131.716 . . . . . . . . . . . . . 17200 1 92 2 0.828 . . . . . . . . . . . . . 17200 1 92 3 7.422 . . . . . . . . . . . . . 17200 1 93 1 131.716 . . . . . . . . . . . . . 17200 1 93 2 1.914 . . . . . . . . . . . . . 17200 1 93 3 7.421 . . . . . . . . . . . . . 17200 1 94 1 131.716 . . . . . . . . . . . . . 17200 1 94 2 2.388 . . . . . . . . . . . . . 17200 1 94 3 7.425 . . . . . . . . . . . . . 17200 1 95 1 132.778 . . . . . . . . . . . . . 17200 1 95 2 7.047 . . . . . . . . . . . . . 17200 1 95 3 7.218 . . . . . . . . . . . . . 17200 1 96 1 127.283 . . . . . . . . . . . . . 17200 1 96 2 4.815 . . . . . . . . . . . . . 17200 1 96 3 7.236 . . . . . . . . . . . . . 17200 1 97 1 120.859 . . . . . . . . . . . . . 17200 1 97 2 4.819 . . . . . . . . . . . . . 17200 1 97 3 7.634 . . . . . . . . . . . . . 17200 1 98 1 127.283 . . . . . . . . . . . . . 17200 1 98 2 3.365 . . . . . . . . . . . . . 17200 1 98 3 7.237 . . . . . . . . . . . . . 17200 1 99 1 120.859 . . . . . . . . . . . . . 17200 1 99 2 3.362 . . . . . . . . . . . . . 17200 1 99 3 7.634 . . . . . . . . . . . . . 17200 1 100 1 127.253 . . . . . . . . . . . . . 17200 1 100 2 3.188 . . . . . . . . . . . . . 17200 1 100 3 7.236 . . . . . . . . . . . . . 17200 1 101 1 120.859 . . . . . . . . . . . . . 17200 1 101 2 3.189 . . . . . . . . . . . . . 17200 1 101 3 7.633 . . . . . . . . . . . . . 17200 1 102 1 127.283 . . . . . . . . . . . . . 17200 1 102 2 7.236 . . . . . . . . . . . . . 17200 1 102 3 7.237 . . . . . . . . . . . . . 17200 1 103 1 120.859 . . . . . . . . . . . . . 17200 1 103 2 7.64 . . . . . . . . . . . . . 17200 1 103 3 7.633 . . . . . . . . . . . . . 17200 1 104 1 114.628 . . . . . . . . . . . . . 17200 1 104 2 7.636 . . . . . . . . . . . . . 17200 1 104 3 7.48 . . . . . . . . . . . . . 17200 1 105 1 121.954 . . . . . . . . . . . . . 17200 1 105 2 7.64 . . . . . . . . . . . . . 17200 1 105 3 7.123 . . . . . . . . . . . . . 17200 1 106 1 124.533 . . . . . . . . . . . . . 17200 1 106 2 7.214 . . . . . . . . . . . . . 17200 1 106 3 7.208 . . . . . . . . . . . . . 17200 1 107 1 114.628 . . . . . . . . . . . . . 17200 1 107 2 7.218 . . . . . . . . . . . . . 17200 1 107 3 7.48 . . . . . . . . . . . . . 17200 1 108 1 121.954 . . . . . . . . . . . . . 17200 1 108 2 7.203 . . . . . . . . . . . . . 17200 1 108 3 7.125 . . . . . . . . . . . . . 17200 1 109 1 124.533 . . . . . . . . . . . . . 17200 1 109 2 7.477 . . . . . . . . . . . . . 17200 1 109 3 7.207 . . . . . . . . . . . . . 17200 1 110 1 114.628 . . . . . . . . . . . . . 17200 1 110 2 7.477 . . . . . . . . . . . . . 17200 1 110 3 7.478 . . . . . . . . . . . . . 17200 1 111 1 120.859 . . . . . . . . . . . . . 17200 1 111 2 7.135 . . . . . . . . . . . . . 17200 1 111 3 7.633 . . . . . . . . . . . . . 17200 1 112 1 124.533 . . . . . . . . . . . . . 17200 1 112 2 7.128 . . . . . . . . . . . . . 17200 1 112 3 7.208 . . . . . . . . . . . . . 17200 1 113 1 114.628 . . . . . . . . . . . . . 17200 1 113 2 7.124 . . . . . . . . . . . . . 17200 1 113 3 7.475 . . . . . . . . . . . . . 17200 1 114 1 121.954 . . . . . . . . . . . . . 17200 1 114 2 7.128 . . . . . . . . . . . . . 17200 1 114 3 7.125 . . . . . . . . . . . . . 17200 1 115 1 120.859 . . . . . . . . . . . . . 17200 1 115 2 8.137 . . . . . . . . . . . . . 17200 1 115 3 7.634 . . . . . . . . . . . . . 17200 1 116 1 132.853 . . . . . . . . . . . . . 17200 1 116 2 1.187 . . . . . . . . . . . . . 17200 1 116 3 6.677 . . . . . . . . . . . . . 17200 1 117 1 118.663 . . . . . . . . . . . . . 17200 1 117 2 7.535 . . . . . . . . . . . . . 17200 1 117 3 7.06 . . . . . . . . . . . . . 17200 1 118 1 132.853 . . . . . . . . . . . . . 17200 1 118 2 4.776 . . . . . . . . . . . . . 17200 1 118 3 6.676 . . . . . . . . . . . . . 17200 1 119 1 132.853 . . . . . . . . . . . . . 17200 1 119 2 2.608 . . . . . . . . . . . . . 17200 1 119 3 6.675 . . . . . . . . . . . . . 17200 1 120 1 118.009 . . . . . . . . . . . . . 17200 1 120 2 2.612 . . . . . . . . . . . . . 17200 1 120 3 6.687 . . . . . . . . . . . . . 17200 1 121 1 132.853 . . . . . . . . . . . . . 17200 1 121 2 2.262 . . . . . . . . . . . . . 17200 1 121 3 6.676 . . . . . . . . . . . . . 17200 1 122 1 117.9 . . . . . . . . . . . . . 17200 1 122 2 2.298 . . . . . . . . . . . . . 17200 1 122 3 6.705 . . . . . . . . . . . . . 17200 1 123 1 132.853 . . . . . . . . . . . . . 17200 1 123 2 6.687 . . . . . . . . . . . . . 17200 1 123 3 6.676 . . . . . . . . . . . . . 17200 1 124 1 132.393 . . . . . . . . . . . . . 17200 1 124 2 6.698 . . . . . . . . . . . . . 17200 1 124 3 6.901 . . . . . . . . . . . . . 17200 1 125 1 132.853 . . . . . . . . . . . . . 17200 1 125 2 8.65 . . . . . . . . . . . . . 17200 1 125 3 6.675 . . . . . . . . . . . . . 17200 1 126 1 132.752 . . . . . . . . . . . . . 17200 1 126 2 4.065 . . . . . . . . . . . . . 17200 1 126 3 7.291 . . . . . . . . . . . . . 17200 1 127 1 132.752 . . . . . . . . . . . . . 17200 1 127 2 2.41 . . . . . . . . . . . . . 17200 1 127 3 7.287 . . . . . . . . . . . . . 17200 1 128 1 118.185 . . . . . . . . . . . . . 17200 1 128 2 8.679 . . . . . . . . . . . . . 17200 1 128 3 6.83 . . . . . . . . . . . . . 17200 1 129 1 132.752 . . . . . . . . . . . . . 17200 1 129 2 4.916 . . . . . . . . . . . . . 17200 1 129 3 7.29 . . . . . . . . . . . . . 17200 1 130 1 118.185 . . . . . . . . . . . . . 17200 1 130 2 4.934 . . . . . . . . . . . . . 17200 1 130 3 6.825 . . . . . . . . . . . . . 17200 1 131 1 132.752 . . . . . . . . . . . . . 17200 1 131 2 2.954 . . . . . . . . . . . . . 17200 1 131 3 7.291 . . . . . . . . . . . . . 17200 1 132 1 118.185 . . . . . . . . . . . . . 17200 1 132 2 2.947 . . . . . . . . . . . . . 17200 1 132 3 6.833 . . . . . . . . . . . . . 17200 1 133 1 132.752 . . . . . . . . . . . . . 17200 1 133 2 2.76 . . . . . . . . . . . . . 17200 1 133 3 7.29 . . . . . . . . . . . . . 17200 1 134 1 118.185 . . . . . . . . . . . . . 17200 1 134 2 2.752 . . . . . . . . . . . . . 17200 1 134 3 6.828 . . . . . . . . . . . . . 17200 1 135 1 132.752 . . . . . . . . . . . . . 17200 1 135 2 7.29 . . . . . . . . . . . . . 17200 1 135 3 7.291 . . . . . . . . . . . . . 17200 1 136 1 118.185 . . . . . . . . . . . . . 17200 1 136 2 7.29 . . . . . . . . . . . . . 17200 1 136 3 6.827 . . . . . . . . . . . . . 17200 1 137 1 132.752 . . . . . . . . . . . . . 17200 1 137 2 6.828 . . . . . . . . . . . . . 17200 1 137 3 7.291 . . . . . . . . . . . . . 17200 1 138 1 118.185 . . . . . . . . . . . . . 17200 1 138 2 6.828 . . . . . . . . . . . . . 17200 1 138 3 6.828 . . . . . . . . . . . . . 17200 1 139 1 117.9 . . . . . . . . . . . . . 17200 1 139 2 1.248 . . . . . . . . . . . . . 17200 1 139 3 6.707 . . . . . . . . . . . . . 17200 1 140 1 117.876 . . . . . . . . . . . . . 17200 1 140 2 1.252 . . . . . . . . . . . . . 17200 1 140 3 6.725 . . . . . . . . . . . . . 17200 1 141 1 118.257 . . . . . . . . . . . . . 17200 1 141 2 4.298 . . . . . . . . . . . . . 17200 1 141 3 7.119 . . . . . . . . . . . . . 17200 1 142 1 118.257 . . . . . . . . . . . . . 17200 1 142 2 4.72 . . . . . . . . . . . . . 17200 1 142 3 7.119 . . . . . . . . . . . . . 17200 1 143 1 131.592 . . . . . . . . . . . . . 17200 1 143 2 0.821 . . . . . . . . . . . . . 17200 1 143 3 7.33 . . . . . . . . . . . . . 17200 1 144 1 133.318 . . . . . . . . . . . . . 17200 1 144 2 7.622 . . . . . . . . . . . . . 17200 1 144 3 7.616 . . . . . . . . . . . . . 17200 1 145 1 133.318 . . . . . . . . . . . . . 17200 1 145 2 7.434 . . . . . . . . . . . . . 17200 1 145 3 7.616 . . . . . . . . . . . . . 17200 1 146 1 131.592 . . . . . . . . . . . . . 17200 1 146 2 7.429 . . . . . . . . . . . . . 17200 1 146 3 7.328 . . . . . . . . . . . . . 17200 1 147 1 132.778 . . . . . . . . . . . . . 17200 1 147 2 5.322 . . . . . . . . . . . . . 17200 1 147 3 7.22 . . . . . . . . . . . . . 17200 1 148 1 132.778 . . . . . . . . . . . . . 17200 1 148 2 1.05 . . . . . . . . . . . . . 17200 1 148 3 7.219 . . . . . . . . . . . . . 17200 1 149 1 117.9 . . . . . . . . . . . . . 17200 1 149 2 1.053 . . . . . . . . . . . . . 17200 1 149 3 6.707 . . . . . . . . . . . . . 17200 1 150 1 132.752 . . . . . . . . . . . . . 17200 1 150 2 5.127 . . . . . . . . . . . . . 17200 1 150 3 7.292 . . . . . . . . . . . . . 17200 1 151 1 132.752 . . . . . . . . . . . . . 17200 1 151 2 1.842 . . . . . . . . . . . . . 17200 1 151 3 7.291 . . . . . . . . . . . . . 17200 1 152 1 118.185 . . . . . . . . . . . . . 17200 1 152 2 1.847 . . . . . . . . . . . . . 17200 1 152 3 6.831 . . . . . . . . . . . . . 17200 1 153 1 132.393 . . . . . . . . . . . . . 17200 1 153 2 0.906 . . . . . . . . . . . . . 17200 1 153 3 6.906 . . . . . . . . . . . . . 17200 1 154 1 118.663 . . . . . . . . . . . . . 17200 1 154 2 0.91 . . . . . . . . . . . . . 17200 1 154 3 7.067 . . . . . . . . . . . . . 17200 1 155 1 132.393 . . . . . . . . . . . . . 17200 1 155 2 1.05 . . . . . . . . . . . . . 17200 1 155 3 6.907 . . . . . . . . . . . . . 17200 1 156 1 118.663 . . . . . . . . . . . . . 17200 1 156 2 1.046 . . . . . . . . . . . . . 17200 1 156 3 7.063 . . . . . . . . . . . . . 17200 1 157 1 118.663 . . . . . . . . . . . . . 17200 1 157 2 0.707 . . . . . . . . . . . . . 17200 1 157 3 7.063 . . . . . . . . . . . . . 17200 1 158 1 137.499 . . . . . . . . . . . . . 17200 1 158 2 0.97 . . . . . . . . . . . . . 17200 1 158 3 7.395 . . . . . . . . . . . . . 17200 1 159 1 132.393 . . . . . . . . . . . . . 17200 1 159 2 1.908 . . . . . . . . . . . . . 17200 1 159 3 6.906 . . . . . . . . . . . . . 17200 1 160 1 132.393 . . . . . . . . . . . . . 17200 1 160 2 0.402 . . . . . . . . . . . . . 17200 1 160 3 6.908 . . . . . . . . . . . . . 17200 1 161 1 118.663 . . . . . . . . . . . . . 17200 1 161 2 0.401 . . . . . . . . . . . . . 17200 1 161 3 7.064 . . . . . . . . . . . . . 17200 1 162 1 137.499 . . . . . . . . . . . . . 17200 1 162 2 0.451 . . . . . . . . . . . . . 17200 1 162 3 7.395 . . . . . . . . . . . . . 17200 1 163 1 132.393 . . . . . . . . . . . . . 17200 1 163 2 8.545 . . . . . . . . . . . . . 17200 1 163 3 6.905 . . . . . . . . . . . . . 17200 1 164 1 132.393 . . . . . . . . . . . . . 17200 1 164 2 2.731 . . . . . . . . . . . . . 17200 1 164 3 6.905 . . . . . . . . . . . . . 17200 1 165 1 132.393 . . . . . . . . . . . . . 17200 1 165 2 6.907 . . . . . . . . . . . . . 17200 1 165 3 6.905 . . . . . . . . . . . . . 17200 1 166 1 118.663 . . . . . . . . . . . . . 17200 1 166 2 6.915 . . . . . . . . . . . . . 17200 1 166 3 7.064 . . . . . . . . . . . . . 17200 1 167 1 132.853 . . . . . . . . . . . . . 17200 1 167 2 7.055 . . . . . . . . . . . . . 17200 1 167 3 6.675 . . . . . . . . . . . . . 17200 1 168 1 132.393 . . . . . . . . . . . . . 17200 1 168 2 7.059 . . . . . . . . . . . . . 17200 1 168 3 6.905 . . . . . . . . . . . . . 17200 1 169 1 118.663 . . . . . . . . . . . . . 17200 1 169 2 7.066 . . . . . . . . . . . . . 17200 1 169 3 7.064 . . . . . . . . . . . . . 17200 1 170 1 113.981 . . . . . . . . . . . . . 17200 1 170 2 6.832 . . . . . . . . . . . . . 17200 1 170 3 6.829 . . . . . . . . . . . . . 17200 1 171 1 137.499 . . . . . . . . . . . . . 17200 1 171 2 7.397 . . . . . . . . . . . . . 17200 1 171 3 7.395 . . . . . . . . . . . . . 17200 1 172 1 117.9 . . . . . . . . . . . . . 17200 1 172 2 0.318 . . . . . . . . . . . . . 17200 1 172 3 6.706 . . . . . . . . . . . . . 17200 1 173 1 132.665 . . . . . . . . . . . . . 17200 1 173 2 9.898 . . . . . . . . . . . . . 17200 1 173 3 7.22 . . . . . . . . . . . . . 17200 1 174 1 117.9 . . . . . . . . . . . . . 17200 1 174 2 4.88 . . . . . . . . . . . . . 17200 1 174 3 6.707 . . . . . . . . . . . . . 17200 1 175 1 132.778 . . . . . . . . . . . . . 17200 1 175 2 3.459 . . . . . . . . . . . . . 17200 1 175 3 7.222 . . . . . . . . . . . . . 17200 1 176 1 117.9 . . . . . . . . . . . . . 17200 1 176 2 3.419 . . . . . . . . . . . . . 17200 1 176 3 6.709 . . . . . . . . . . . . . 17200 1 177 1 132.778 . . . . . . . . . . . . . 17200 1 177 2 7.221 . . . . . . . . . . . . . 17200 1 177 3 7.22 . . . . . . . . . . . . . 17200 1 178 1 117.9 . . . . . . . . . . . . . 17200 1 178 2 7.221 . . . . . . . . . . . . . 17200 1 178 3 6.707 . . . . . . . . . . . . . 17200 1 179 1 134.226 . . . . . . . . . . . . . 17200 1 179 2 7.221 . . . . . . . . . . . . . 17200 1 179 3 7.014 . . . . . . . . . . . . . 17200 1 180 1 132.778 . . . . . . . . . . . . . 17200 1 180 2 6.709 . . . . . . . . . . . . . 17200 1 180 3 7.22 . . . . . . . . . . . . . 17200 1 181 1 134.226 . . . . . . . . . . . . . 17200 1 181 2 7.016 . . . . . . . . . . . . . 17200 1 181 3 7.017 . . . . . . . . . . . . . 17200 1 182 1 118.533 . . . . . . . . . . . . . 17200 1 182 2 7.019 . . . . . . . . . . . . . 17200 1 182 3 6.899 . . . . . . . . . . . . . 17200 1 183 1 133.318 . . . . . . . . . . . . . 17200 1 183 2 6.893 . . . . . . . . . . . . . 17200 1 183 3 7.62 . . . . . . . . . . . . . 17200 1 184 1 134.226 . . . . . . . . . . . . . 17200 1 184 2 6.9 . . . . . . . . . . . . . 17200 1 184 3 7.016 . . . . . . . . . . . . . 17200 1 185 1 118.533 . . . . . . . . . . . . . 17200 1 185 2 6.9 . . . . . . . . . . . . . 17200 1 185 3 6.899 . . . . . . . . . . . . . 17200 1 186 1 117.9 . . . . . . . . . . . . . 17200 1 186 2 2.961 . . . . . . . . . . . . . 17200 1 186 3 6.706 . . . . . . . . . . . . . 17200 1 187 1 132.778 . . . . . . . . . . . . . 17200 1 187 2 2.835 . . . . . . . . . . . . . 17200 1 187 3 7.222 . . . . . . . . . . . . . 17200 1 188 1 132.778 . . . . . . . . . . . . . 17200 1 188 2 7.376 . . . . . . . . . . . . . 17200 1 188 3 7.22 . . . . . . . . . . . . . 17200 1 189 1 118.009 . . . . . . . . . . . . . 17200 1 189 2 1.923 . . . . . . . . . . . . . 17200 1 189 3 6.691 . . . . . . . . . . . . . 17200 1 190 1 132.778 . . . . . . . . . . . . . 17200 1 190 2 0.855 . . . . . . . . . . . . . 17200 1 190 3 7.223 . . . . . . . . . . . . . 17200 1 191 1 117.9 . . . . . . . . . . . . . 17200 1 191 2 0.851 . . . . . . . . . . . . . 17200 1 191 3 6.708 . . . . . . . . . . . . . 17200 1 192 1 137.506 . . . . . . . . . . . . . 17200 1 192 2 1.762 . . . . . . . . . . . . . 17200 1 192 3 7.397 . . . . . . . . . . . . . 17200 1 193 1 132.853 . . . . . . . . . . . . . 17200 1 193 2 1.605 . . . . . . . . . . . . . 17200 1 193 3 6.675 . . . . . . . . . . . . . 17200 1 194 1 132.393 . . . . . . . . . . . . . 17200 1 194 2 1.605 . . . . . . . . . . . . . 17200 1 194 3 6.905 . . . . . . . . . . . . . 17200 1 195 1 117.876 . . . . . . . . . . . . . 17200 1 195 2 1.652 . . . . . . . . . . . . . 17200 1 195 3 6.724 . . . . . . . . . . . . . 17200 1 196 1 117.9 . . . . . . . . . . . . . 17200 1 196 2 7.64 . . . . . . . . . . . . . 17200 1 196 3 6.707 . . . . . . . . . . . . . 17200 1 197 1 132.853 . . . . . . . . . . . . . 17200 1 197 2 1.407 . . . . . . . . . . . . . 17200 1 197 3 6.675 . . . . . . . . . . . . . 17200 1 198 1 118.009 . . . . . . . . . . . . . 17200 1 198 2 1.407 . . . . . . . . . . . . . 17200 1 198 3 6.689 . . . . . . . . . . . . . 17200 1 199 1 117.876 . . . . . . . . . . . . . 17200 1 199 2 1.414 . . . . . . . . . . . . . 17200 1 199 3 6.724 . . . . . . . . . . . . . 17200 1 200 1 128.09 . . . . . . . . . . . . . 17200 1 200 2 1.587 . . . . . . . . . . . . . 17200 1 200 3 7.195 . . . . . . . . . . . . . 17200 1 201 1 128.09 . . . . . . . . . . . . . 17200 1 201 2 3.113 . . . . . . . . . . . . . 17200 1 201 3 7.197 . . . . . . . . . . . . . 17200 1 202 1 128.09 . . . . . . . . . . . . . 17200 1 202 2 7.203 . . . . . . . . . . . . . 17200 1 202 3 7.198 . . . . . . . . . . . . . 17200 1 203 1 128.09 . . . . . . . . . . . . . 17200 1 203 2 7.51 . . . . . . . . . . . . . 17200 1 203 3 7.202 . . . . . . . . . . . . . 17200 1 204 1 114.055 . . . . . . . . . . . . . 17200 1 204 2 7.279 . . . . . . . . . . . . . 17200 1 204 3 7.279 . . . . . . . . . . . . . 17200 1 205 1 128.09 . . . . . . . . . . . . . 17200 1 205 2 3.787 . . . . . . . . . . . . . 17200 1 205 3 7.196 . . . . . . . . . . . . . 17200 1 206 1 128.09 . . . . . . . . . . . . . 17200 1 206 2 2.081 . . . . . . . . . . . . . 17200 1 206 3 7.193 . . . . . . . . . . . . . 17200 1 207 1 118.257 . . . . . . . . . . . . . 17200 1 207 2 4.021 . . . . . . . . . . . . . 17200 1 207 3 7.112 . . . . . . . . . . . . . 17200 1 208 1 131.592 . . . . . . . . . . . . . 17200 1 208 2 7.337 . . . . . . . . . . . . . 17200 1 208 3 7.331 . . . . . . . . . . . . . 17200 1 209 1 129.654 . . . . . . . . . . . . . 17200 1 209 2 7.33 . . . . . . . . . . . . . 17200 1 209 3 7.23 . . . . . . . . . . . . . 17200 1 210 1 133.318 . . . . . . . . . . . . . 17200 1 210 2 7.214 . . . . . . . . . . . . . 17200 1 210 3 7.617 . . . . . . . . . . . . . 17200 1 211 1 131.592 . . . . . . . . . . . . . 17200 1 211 2 7.229 . . . . . . . . . . . . . 17200 1 211 3 7.331 . . . . . . . . . . . . . 17200 1 212 1 129.654 . . . . . . . . . . . . . 17200 1 212 2 7.232 . . . . . . . . . . . . . 17200 1 212 3 7.23 . . . . . . . . . . . . . 17200 1 213 1 127.676 . . . . . . . . . . . . . 17200 1 213 2 7.117 . . . . . . . . . . . . . 17200 1 213 3 7.119 . . . . . . . . . . . . . 17200 1 214 1 127.676 . . . . . . . . . . . . . 17200 1 214 2 9.53 . . . . . . . . . . . . . 17200 1 214 3 7.118 . . . . . . . . . . . . . 17200 1 215 1 115.346 . . . . . . . . . . . . . 17200 1 215 2 9.533 . . . . . . . . . . . . . 17200 1 215 3 7.381 . . . . . . . . . . . . . 17200 1 216 1 122.858 . . . . . . . . . . . . . 17200 1 216 2 7.027 . . . . . . . . . . . . . 17200 1 216 3 7.032 . . . . . . . . . . . . . 17200 1 217 1 115.346 . . . . . . . . . . . . . 17200 1 217 2 7.023 . . . . . . . . . . . . . 17200 1 217 3 7.383 . . . . . . . . . . . . . 17200 1 218 1 115.346 . . . . . . . . . . . . . 17200 1 218 2 7.387 . . . . . . . . . . . . . 17200 1 218 3 7.381 . . . . . . . . . . . . . 17200 1 219 1 131.629 . . . . . . . . . . . . . 17200 1 219 2 7.25 . . . . . . . . . . . . . 17200 1 219 3 7.25 . . . . . . . . . . . . . 17200 1 220 1 118.257 . . . . . . . . . . . . . 17200 1 220 2 7.25 . . . . . . . . . . . . . 17200 1 220 3 7.121 . . . . . . . . . . . . . 17200 1 221 1 131.629 . . . . . . . . . . . . . 17200 1 221 2 7.12 . . . . . . . . . . . . . 17200 1 221 3 7.25 . . . . . . . . . . . . . 17200 1 222 1 118.257 . . . . . . . . . . . . . 17200 1 222 2 7.117 . . . . . . . . . . . . . 17200 1 222 3 7.121 . . . . . . . . . . . . . 17200 1 223 1 117.9 . . . . . . . . . . . . . 17200 1 223 2 3.171 . . . . . . . . . . . . . 17200 1 223 3 6.708 . . . . . . . . . . . . . 17200 1 224 1 117.9 . . . . . . . . . . . . . 17200 1 224 2 1.915 . . . . . . . . . . . . . 17200 1 224 3 6.709 . . . . . . . . . . . . . 17200 1 225 1 117.876 . . . . . . . . . . . . . 17200 1 225 2 1.869 . . . . . . . . . . . . . 17200 1 225 3 6.724 . . . . . . . . . . . . . 17200 1 226 1 117.876 . . . . . . . . . . . . . 17200 1 226 2 2.009 . . . . . . . . . . . . . 17200 1 226 3 6.729 . . . . . . . . . . . . . 17200 1 227 1 133.071 . . . . . . . . . . . . . 17200 1 227 2 8.924 . . . . . . . . . . . . . 17200 1 227 3 6.725 . . . . . . . . . . . . . 17200 1 228 1 117.9 . . . . . . . . . . . . . 17200 1 228 2 8.877 . . . . . . . . . . . . . 17200 1 228 3 6.707 . . . . . . . . . . . . . 17200 1 229 1 133.071 . . . . . . . . . . . . . 17200 1 229 2 5.692 . . . . . . . . . . . . . 17200 1 229 3 6.725 . . . . . . . . . . . . . 17200 1 230 1 133.071 . . . . . . . . . . . . . 17200 1 230 2 2.723 . . . . . . . . . . . . . 17200 1 230 3 6.726 . . . . . . . . . . . . . 17200 1 231 1 117.876 . . . . . . . . . . . . . 17200 1 231 2 2.705 . . . . . . . . . . . . . 17200 1 231 3 6.727 . . . . . . . . . . . . . 17200 1 232 1 133.071 . . . . . . . . . . . . . 17200 1 232 2 2.435 . . . . . . . . . . . . . 17200 1 232 3 6.724 . . . . . . . . . . . . . 17200 1 233 1 117.876 . . . . . . . . . . . . . 17200 1 233 2 2.435 . . . . . . . . . . . . . 17200 1 233 3 6.727 . . . . . . . . . . . . . 17200 1 234 1 133.071 . . . . . . . . . . . . . 17200 1 234 2 6.724 . . . . . . . . . . . . . 17200 1 234 3 6.725 . . . . . . . . . . . . . 17200 1 235 1 133.071 . . . . . . . . . . . . . 17200 1 235 2 9.238 . . . . . . . . . . . . . 17200 1 235 3 6.724 . . . . . . . . . . . . . 17200 1 236 1 133.071 . . . . . . . . . . . . . 17200 1 236 2 2.864 . . . . . . . . . . . . . 17200 1 236 3 6.725 . . . . . . . . . . . . . 17200 1 237 1 117.876 . . . . . . . . . . . . . 17200 1 237 2 3.968 . . . . . . . . . . . . . 17200 1 237 3 6.727 . . . . . . . . . . . . . 17200 1 238 1 133.071 . . . . . . . . . . . . . 17200 1 238 2 0.931 . . . . . . . . . . . . . 17200 1 238 3 6.723 . . . . . . . . . . . . . 17200 1 239 1 133.071 . . . . . . . . . . . . . 17200 1 239 2 1.56 . . . . . . . . . . . . . 17200 1 239 3 6.72 . . . . . . . . . . . . . 17200 1 240 1 131.625 . . . . . . . . . . . . . 17200 1 240 2 9.328 . . . . . . . . . . . . . 17200 1 240 3 7.118 . . . . . . . . . . . . . 17200 1 241 1 131.625 . . . . . . . . . . . . . 17200 1 241 2 7.113 . . . . . . . . . . . . . 17200 1 241 3 7.116 . . . . . . . . . . . . . 17200 1 242 1 129.74 . . . . . . . . . . . . . 17200 1 242 2 7.279 . . . . . . . . . . . . . 17200 1 242 3 7.282 . . . . . . . . . . . . . 17200 1 243 1 131.625 . . . . . . . . . . . . . 17200 1 243 2 7.236 . . . . . . . . . . . . . 17200 1 243 3 7.116 . . . . . . . . . . . . . 17200 1 244 1 130.483 . . . . . . . . . . . . . 17200 1 244 2 9.416 . . . . . . . . . . . . . 17200 1 244 3 6.696 . . . . . . . . . . . . . 17200 1 245 1 128.849 . . . . . . . . . . . . . 17200 1 245 2 9.407 . . . . . . . . . . . . . 17200 1 245 3 6.914 . . . . . . . . . . . . . 17200 1 246 1 130.483 . . . . . . . . . . . . . 17200 1 246 2 6.698 . . . . . . . . . . . . . 17200 1 246 3 6.697 . . . . . . . . . . . . . 17200 1 247 1 128.849 . . . . . . . . . . . . . 17200 1 247 2 6.698 . . . . . . . . . . . . . 17200 1 247 3 6.908 . . . . . . . . . . . . . 17200 1 248 1 130.483 . . . . . . . . . . . . . 17200 1 248 2 6.9 . . . . . . . . . . . . . 17200 1 248 3 6.696 . . . . . . . . . . . . . 17200 1 249 1 128.849 . . . . . . . . . . . . . 17200 1 249 2 6.907 . . . . . . . . . . . . . 17200 1 249 3 6.908 . . . . . . . . . . . . . 17200 1 250 1 127.283 . . . . . . . . . . . . . 17200 1 250 2 1.725 . . . . . . . . . . . . . 17200 1 250 3 7.237 . . . . . . . . . . . . . 17200 1 251 1 120.859 . . . . . . . . . . . . . 17200 1 251 2 7.221 . . . . . . . . . . . . . 17200 1 251 3 7.633 . . . . . . . . . . . . . 17200 1 252 1 118.663 . . . . . . . . . . . . . 17200 1 252 2 4.77 . . . . . . . . . . . . . 17200 1 252 3 7.064 . . . . . . . . . . . . . 17200 1 253 1 132.393 . . . . . . . . . . . . . 17200 1 253 2 2.254 . . . . . . . . . . . . . 17200 1 253 3 6.907 . . . . . . . . . . . . . 17200 1 254 1 132.752 . . . . . . . . . . . . . 17200 1 254 2 6.658 . . . . . . . . . . . . . 17200 1 254 3 7.29 . . . . . . . . . . . . . 17200 1 255 1 118.185 . . . . . . . . . . . . . 17200 1 255 2 7.046 . . . . . . . . . . . . . 17200 1 255 3 6.827 . . . . . . . . . . . . . 17200 1 256 1 132.778 . . . . . . . . . . . . . 17200 1 256 2 1.244 . . . . . . . . . . . . . 17200 1 256 3 7.221 . . . . . . . . . . . . . 17200 1 257 1 132.393 . . . . . . . . . . . . . 17200 1 257 2 0.577 . . . . . . . . . . . . . 17200 1 257 3 6.902 . . . . . . . . . . . . . 17200 1 258 1 132.778 . . . . . . . . . . . . . 17200 1 258 2 0.315 . . . . . . . . . . . . . 17200 1 258 3 7.221 . . . . . . . . . . . . . 17200 1 259 1 132.778 . . . . . . . . . . . . . 17200 1 259 2 4.877 . . . . . . . . . . . . . 17200 1 259 3 7.221 . . . . . . . . . . . . . 17200 1 260 1 132.778 . . . . . . . . . . . . . 17200 1 260 2 7.146 . . . . . . . . . . . . . 17200 1 260 3 7.221 . . . . . . . . . . . . . 17200 1 261 1 132.778 . . . . . . . . . . . . . 17200 1 261 2 0.951 . . . . . . . . . . . . . 17200 1 261 3 7.221 . . . . . . . . . . . . . 17200 1 262 1 118.533 . . . . . . . . . . . . . 17200 1 262 2 7.216 . . . . . . . . . . . . . 17200 1 262 3 6.899 . . . . . . . . . . . . . 17200 1 263 1 132.758 . . . . . . . . . . . . . 17200 1 263 2 4.764 . . . . . . . . . . . . . 17200 1 263 3 7.292 . . . . . . . . . . . . . 17200 1 264 1 118.118 . . . . . . . . . . . . . 17200 1 264 2 4.764 . . . . . . . . . . . . . 17200 1 264 3 6.826 . . . . . . . . . . . . . 17200 1 265 1 131.629 . . . . . . . . . . . . . 17200 1 265 2 4.764 . . . . . . . . . . . . . 17200 1 265 3 7.249 . . . . . . . . . . . . . 17200 1 266 1 131.625 . . . . . . . . . . . . . 17200 1 266 2 4.764 . . . . . . . . . . . . . 17200 1 266 3 7.115 . . . . . . . . . . . . . 17200 1 267 1 118.118 . . . . . . . . . . . . . 17200 1 267 2 2.529 . . . . . . . . . . . . . 17200 1 267 3 6.826 . . . . . . . . . . . . . 17200 1 268 1 132.758 . . . . . . . . . . . . . 17200 1 268 2 7.454 . . . . . . . . . . . . . 17200 1 268 3 7.289 . . . . . . . . . . . . . 17200 1 269 1 118.118 . . . . . . . . . . . . . 17200 1 269 2 2.429 . . . . . . . . . . . . . 17200 1 269 3 6.826 . . . . . . . . . . . . . 17200 1 270 1 131.592 . . . . . . . . . . . . . 17200 1 270 2 7.101 . . . . . . . . . . . . . 17200 1 270 3 7.327 . . . . . . . . . . . . . 17200 1 271 1 133.071 . . . . . . . . . . . . . 17200 1 271 2 8.659 . . . . . . . . . . . . . 17200 1 271 3 6.721 . . . . . . . . . . . . . 17200 1 272 1 117.876 . . . . . . . . . . . . . 17200 1 272 2 1.563 . . . . . . . . . . . . . 17200 1 272 3 6.724 . . . . . . . . . . . . . 17200 1 stop_ save_