data_25081 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 25081 _Entry.Title ; Fyn SH2 bound ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2014-07-09 _Entry.Accession_date 2014-07-09 _Entry.Last_release_date 2015-07-13 _Entry.Original_release_date 2015-07-13 _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.81 _Entry.Original_NMR_STAR_version 3.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype SOLUTION _Entry.Details . _Entry.BMRB_internal_directory_name . loop_ _Entry_author.Ordinal _Entry_author.Given_name _Entry_author.Family_name _Entry_author.First_initial _Entry_author.Middle_initials _Entry_author.Family_title _Entry_author.Entry_ID 1 Radu Huculeci . . . 25081 2 Lieven Buts . . . 25081 3 Tom Lenaerts . . . 25081 4 Nico 'van Nuland' . AJ . 25081 stop_ loop_ _SG_project.SG_project_ID _SG_project.Project_name _SG_project.Full_name_of_center _SG_project.Initial_of_center _SG_project.Entry_ID 1 'not applicable' 'not applicable' . 25081 stop_ loop_ _Struct_keywords.Keywords _Struct_keywords.Text _Struct_keywords.Entry_ID 'Fyn kinase' . 25081 'SH2 domian' . 25081 'Src kinase' . 25081 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 25081 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 497 25081 '15N chemical shifts' 115 25081 '1H chemical shifts' 774 25081 stop_ loop_ _Release.Release_number _Release.Format_type _Release.Format_version _Release.Date _Release.Submission_date _Release.Type _Release.Author _Release.Detail _Release.Entry_ID 1 . . 2015-07-13 . original BMRB . 25081 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID BMRB 17368 'Fyn SH2 free state' 25081 BMRB 17369 'Fyn SH2 in complex with the high affinity phosphorilated peptide' 25081 BMRB 25082 'Fyn SH2 domain in complex with the natural inhibitory phosphotyrosine peptide' 25081 PDB 2MRJ 'BMRB Entry Tracking System' 25081 PDB 2mqi 'Fyn SH2 free state' 25081 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 25081 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID . _Citation.Full_citation . _Citation.Title ; Dynamically coupled residues within the SH2 domain of FYN are key to unlock its activity ; _Citation.Status 'in preparation' _Citation.Type journal _Citation.Journal_abbrev 'Not known' _Citation.Journal_name_full . _Citation.Journal_volume . _Citation.Journal_issue . _Citation.Journal_ASTM . _Citation.Journal_ISSN . _Citation.Journal_CSD . _Citation.Book_title . _Citation.Book_chapter_title . _Citation.Book_volume . _Citation.Book_series . _Citation.Book_publisher . _Citation.Book_publisher_city . _Citation.Book_ISBN . _Citation.Conference_title . _Citation.Conference_site . _Citation.Conference_state_province . _Citation.Conference_country . _Citation.Conference_start_date . _Citation.Conference_end_date . _Citation.Conference_abstract_number . _Citation.Thesis_institution . _Citation.Thesis_institution_city . _Citation.Thesis_institution_country . _Citation.WWW_URL . _Citation.Page_first . _Citation.Page_last . _Citation.Year . _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 Radu Huculeci . . . 25081 1 2 Elisa Cilia . . . 25081 1 3 Lieven Buts . . . 25081 1 4 Klaartje Houben . . . 25081 1 5 Nico 'van Nuland' . AJ . 25081 1 6 Tom Lenaerts . . . 25081 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 25081 _Assembly.ID 1 _Assembly.Name 'Fyn SH2 bound' _Assembly.BMRB_code . _Assembly.Number_of_components 1 _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds . _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state . _Assembly.Molecular_mass . _Assembly.Enzyme_commission_number . _Assembly.Details . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Entity_assembly.ID _Entity_assembly.Entity_assembly_name _Entity_assembly.Entity_ID _Entity_assembly.Entity_label _Entity_assembly.Asym_ID _Entity_assembly.PDB_chain_ID _Entity_assembly.Experimental_data_reported _Entity_assembly.Physical_state _Entity_assembly.Conformational_isomer _Entity_assembly.Chemical_exchange_state _Entity_assembly.Magnetic_equivalence_group_code _Entity_assembly.Role _Entity_assembly.Details _Entity_assembly.Entry_ID _Entity_assembly.Assembly_ID 1 'Fyn SH2 bound' 1 $FynSH2_bound A . yes native no no . . . 25081 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_FynSH2_bound _Entity.Sf_category entity _Entity.Sf_framecode FynSH2_bound _Entity.Entry_ID 25081 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name FynSH2_bound _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 ; SSGLVPRGSHMEWYFGKLGR KDAERQLLSFGNPRGTFLIR ESETTKGAYSLSIRDWDDMK GDHVKHYKIRKLDNGGYYIT TRAQFETLQQLVQHYSERAA GLCCRLVVPCHK ; _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 112 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state . _Entity.Src_method man _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 11690.439 _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 BMRB 17368 . FynSH2free_correct . . . . . 91.96 112 100.00 100.00 1.13e-70 . . . . 25081 1 2 no BMRB 17369 . FynSH2_correct . . . . . 91.96 112 100.00 100.00 1.13e-70 . . . . 25081 1 3 no BMRB 25082 . entity_1 . . . . . 100.00 122 100.00 100.00 2.66e-77 . . . . 25081 1 4 no PDB 1AOT . "Nmr Structure Of The Fyn Sh2 Domain Complexed With A Phosphotyrosyl Peptide, Minimized Average Structure" . . . . . 90.18 106 97.03 97.03 3.00e-66 . . . . 25081 1 5 no PDB 1AOU . "Nmr Structure Of The Fyn Sh2 Domain Complexed With A Phosphotyrosyl Peptide, 22 Structures" . . . . . 90.18 106 97.03 97.03 3.00e-66 . . . . 25081 1 6 no PDB 1G83 . "Crystal Structure Of Fyn Sh3-Sh2" . . . . . 88.39 165 96.97 96.97 1.05e-63 . . . . 25081 1 7 no PDB 2MQI . "Human Fyn Sh2 Free State" . . . . . 89.29 100 100.00 100.00 6.54e-68 . . . . 25081 1 8 no PDB 2MRJ . "Structure Of Fyn Protein Sh2 Bound" . . . . . 89.29 100 100.00 100.00 6.54e-68 . . . . 25081 1 9 no PDB 2MRK . "Fyn Sh2 Domain In Complex With The Natural Inhibitory Phosphotyrosine Peptide" . . . . . 89.29 100 100.00 100.00 6.54e-68 . . . . 25081 1 10 no PDB 4U17 . "Swapped Dimer Of The Human Fyn-sh2 Domain" . . . . . 93.75 105 100.00 100.00 4.15e-72 . . . . 25081 1 11 no PDB 4U1P . "Human Fyn-sh2 Domain In Complex With A Synthetic High-affinity Phospho-peptide" . . . . . 100.00 122 100.00 100.00 2.66e-77 . . . . 25081 1 12 no DBJ BAE33766 . "unnamed protein product [Mus musculus]" . . . . . 90.18 537 100.00 100.00 1.18e-64 . . . . 25081 1 13 no DBJ BAG70107 . "protein-tyrosine kinase fyn isoform a [Homo sapiens]" . . . . . 90.18 537 100.00 100.00 1.08e-64 . . . . 25081 1 14 no DBJ BAG70240 . "protein-tyrosine kinase fyn isoform a [Homo sapiens]" . . . . . 90.18 537 100.00 100.00 1.08e-64 . . . . 25081 1 15 no DBJ BAI46902 . "FYN oncogene related to SRC, FGR, YES [synthetic construct]" . . . . . 90.18 537 100.00 100.00 1.08e-64 . . . . 25081 1 16 no EMBL CAA36435 . "fyn [Xenopus laevis]" . . . . . 90.18 537 99.01 100.00 3.15e-64 . . . . 25081 1 17 no GB AAA36615 . "src-like tyrosine kinase (put.); putative [Homo sapiens]" . . . . . 90.18 537 99.01 100.00 3.97e-64 . . . . 25081 1 18 no GB AAA49719 . "c-fyn protein [Xenopus laevis]" . . . . . 90.18 537 99.01 100.00 3.15e-64 . . . . 25081 1 19 no GB AAA82942 . "proto-oncogene FYN [Rattus norvegicus]" . . . . . 90.18 537 100.00 100.00 1.20e-64 . . . . 25081 1 20 no GB AAC08285 . "c-syn protooncogene [Homo sapiens]" . . . . . 90.18 537 100.00 100.00 1.08e-64 . . . . 25081 1 21 no GB AAH32496 . "FYN oncogene related to SRC, FGR, YES [Homo sapiens]" . . . . . 75.89 482 100.00 100.00 2.30e-51 . . . . 25081 1 22 no REF NP_001071440 . "tyrosine-protein kinase Fyn [Bos taurus]" . . . . . 90.18 537 100.00 100.00 1.35e-64 . . . . 25081 1 23 no REF NP_001073675 . "tyrosine-protein kinase Fyn [Sus scrofa]" . . . . . 90.18 537 100.00 100.00 1.06e-64 . . . . 25081 1 24 no REF NP_001079077 . "tyrosine-protein kinase Fyn [Xenopus laevis]" . . . . . 90.18 537 99.01 100.00 3.15e-64 . . . . 25081 1 25 no REF NP_001080120 . "proto-oncogene tyrosine-protein kinase fyn [Xenopus laevis]" . . . . . 90.18 537 98.02 99.01 1.38e-63 . . . . 25081 1 26 no REF NP_001116365 . "tyrosine-protein kinase Fyn isoform a [Mus musculus]" . . . . . 90.18 537 100.00 100.00 1.18e-64 . . . . 25081 1 27 no SP A0JNB0 . "RecName: Full=Tyrosine-protein kinase Fyn; AltName: Full=Proto-oncogene c-Fyn; AltName: Full=p59-Fyn" . . . . . 90.18 537 100.00 100.00 1.35e-64 . . . . 25081 1 28 no SP A1Y2K1 . "RecName: Full=Tyrosine-protein kinase Fyn; AltName: Full=Proto-oncogene c-Fyn; AltName: Full=p59-Fyn" . . . . . 90.18 537 100.00 100.00 1.06e-64 . . . . 25081 1 29 no SP P06241 . "RecName: Full=Tyrosine-protein kinase Fyn; AltName: Full=Proto-oncogene Syn; AltName: Full=Proto-oncogene c-Fyn; AltName: Full=" . . . . . 90.18 537 100.00 100.00 1.08e-64 . . . . 25081 1 30 no SP P13406 . "RecName: Full=Tyrosine-protein kinase Fyn; AltName: Full=Proto-oncogene c-Fyn; AltName: Full=p59-Fyn" . . . . . 90.18 537 99.01 100.00 3.15e-64 . . . . 25081 1 31 no SP P39688 . "RecName: Full=Tyrosine-protein kinase Fyn; AltName: Full=Proto-oncogene c-Fyn; AltName: Full=p59-Fyn" . . . . . 90.18 537 100.00 100.00 1.18e-64 . . . . 25081 1 32 no TPG DAA26259 . "TPA: proto-oncogene tyrosine-protein kinase Fyn [Bos taurus]" . . . . . 90.18 537 100.00 100.00 1.35e-64 . . . . 25081 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 1 137 SER . 25081 1 2 138 SER . 25081 1 3 139 GLY . 25081 1 4 140 LEU . 25081 1 5 141 VAL . 25081 1 6 142 PRO . 25081 1 7 143 ARG . 25081 1 8 144 GLY . 25081 1 9 145 SER . 25081 1 10 146 HIS . 25081 1 11 147 MET . 25081 1 12 148 GLU . 25081 1 13 149 TRP . 25081 1 14 150 TYR . 25081 1 15 151 PHE . 25081 1 16 152 GLY . 25081 1 17 153 LYS . 25081 1 18 154 LEU . 25081 1 19 155 GLY . 25081 1 20 156 ARG . 25081 1 21 157 LYS . 25081 1 22 158 ASP . 25081 1 23 159 ALA . 25081 1 24 160 GLU . 25081 1 25 161 ARG . 25081 1 26 162 GLN . 25081 1 27 163 LEU . 25081 1 28 164 LEU . 25081 1 29 165 SER . 25081 1 30 166 PHE . 25081 1 31 167 GLY . 25081 1 32 168 ASN . 25081 1 33 169 PRO . 25081 1 34 170 ARG . 25081 1 35 171 GLY . 25081 1 36 172 THR . 25081 1 37 173 PHE . 25081 1 38 174 LEU . 25081 1 39 175 ILE . 25081 1 40 176 ARG . 25081 1 41 177 GLU . 25081 1 42 178 SER . 25081 1 43 179 GLU . 25081 1 44 180 THR . 25081 1 45 181 THR . 25081 1 46 182 LYS . 25081 1 47 183 GLY . 25081 1 48 184 ALA . 25081 1 49 185 TYR . 25081 1 50 186 SER . 25081 1 51 187 LEU . 25081 1 52 188 SER . 25081 1 53 189 ILE . 25081 1 54 190 ARG . 25081 1 55 191 ASP . 25081 1 56 192 TRP . 25081 1 57 193 ASP . 25081 1 58 194 ASP . 25081 1 59 195 MET . 25081 1 60 196 LYS . 25081 1 61 197 GLY . 25081 1 62 198 ASP . 25081 1 63 199 HIS . 25081 1 64 200 VAL . 25081 1 65 201 LYS . 25081 1 66 202 HIS . 25081 1 67 203 TYR . 25081 1 68 204 LYS . 25081 1 69 205 ILE . 25081 1 70 206 ARG . 25081 1 71 207 LYS . 25081 1 72 208 LEU . 25081 1 73 209 ASP . 25081 1 74 210 ASN . 25081 1 75 211 GLY . 25081 1 76 212 GLY . 25081 1 77 213 TYR . 25081 1 78 214 TYR . 25081 1 79 215 ILE . 25081 1 80 216 THR . 25081 1 81 217 THR . 25081 1 82 218 ARG . 25081 1 83 219 ALA . 25081 1 84 220 GLN . 25081 1 85 221 PHE . 25081 1 86 222 GLU . 25081 1 87 223 THR . 25081 1 88 224 LEU . 25081 1 89 225 GLN . 25081 1 90 226 GLN . 25081 1 91 227 LEU . 25081 1 92 228 VAL . 25081 1 93 229 GLN . 25081 1 94 230 HIS . 25081 1 95 231 TYR . 25081 1 96 232 SER . 25081 1 97 233 GLU . 25081 1 98 234 ARG . 25081 1 99 235 ALA . 25081 1 100 236 ALA . 25081 1 101 237 GLY . 25081 1 102 238 LEU . 25081 1 103 239 CYS . 25081 1 104 240 CYS . 25081 1 105 241 ARG . 25081 1 106 242 LEU . 25081 1 107 243 VAL . 25081 1 108 244 VAL . 25081 1 109 245 PRO . 25081 1 110 246 CYS . 25081 1 111 247 HIS . 25081 1 112 248 LYS . 25081 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 . SER 1 1 25081 1 . SER 2 2 25081 1 . GLY 3 3 25081 1 . LEU 4 4 25081 1 . VAL 5 5 25081 1 . PRO 6 6 25081 1 . ARG 7 7 25081 1 . GLY 8 8 25081 1 . SER 9 9 25081 1 . HIS 10 10 25081 1 . MET 11 11 25081 1 . GLU 12 12 25081 1 . TRP 13 13 25081 1 . TYR 14 14 25081 1 . PHE 15 15 25081 1 . GLY 16 16 25081 1 . LYS 17 17 25081 1 . LEU 18 18 25081 1 . GLY 19 19 25081 1 . ARG 20 20 25081 1 . LYS 21 21 25081 1 . ASP 22 22 25081 1 . ALA 23 23 25081 1 . GLU 24 24 25081 1 . ARG 25 25 25081 1 . GLN 26 26 25081 1 . LEU 27 27 25081 1 . LEU 28 28 25081 1 . SER 29 29 25081 1 . PHE 30 30 25081 1 . GLY 31 31 25081 1 . ASN 32 32 25081 1 . PRO 33 33 25081 1 . ARG 34 34 25081 1 . GLY 35 35 25081 1 . THR 36 36 25081 1 . PHE 37 37 25081 1 . LEU 38 38 25081 1 . ILE 39 39 25081 1 . ARG 40 40 25081 1 . GLU 41 41 25081 1 . SER 42 42 25081 1 . GLU 43 43 25081 1 . THR 44 44 25081 1 . THR 45 45 25081 1 . LYS 46 46 25081 1 . GLY 47 47 25081 1 . ALA 48 48 25081 1 . TYR 49 49 25081 1 . SER 50 50 25081 1 . LEU 51 51 25081 1 . SER 52 52 25081 1 . ILE 53 53 25081 1 . ARG 54 54 25081 1 . ASP 55 55 25081 1 . TRP 56 56 25081 1 . ASP 57 57 25081 1 . ASP 58 58 25081 1 . MET 59 59 25081 1 . LYS 60 60 25081 1 . GLY 61 61 25081 1 . ASP 62 62 25081 1 . HIS 63 63 25081 1 . VAL 64 64 25081 1 . LYS 65 65 25081 1 . HIS 66 66 25081 1 . TYR 67 67 25081 1 . LYS 68 68 25081 1 . ILE 69 69 25081 1 . ARG 70 70 25081 1 . LYS 71 71 25081 1 . LEU 72 72 25081 1 . ASP 73 73 25081 1 . ASN 74 74 25081 1 . GLY 75 75 25081 1 . GLY 76 76 25081 1 . TYR 77 77 25081 1 . TYR 78 78 25081 1 . ILE 79 79 25081 1 . THR 80 80 25081 1 . THR 81 81 25081 1 . ARG 82 82 25081 1 . ALA 83 83 25081 1 . GLN 84 84 25081 1 . PHE 85 85 25081 1 . GLU 86 86 25081 1 . THR 87 87 25081 1 . LEU 88 88 25081 1 . GLN 89 89 25081 1 . GLN 90 90 25081 1 . LEU 91 91 25081 1 . VAL 92 92 25081 1 . GLN 93 93 25081 1 . HIS 94 94 25081 1 . TYR 95 95 25081 1 . SER 96 96 25081 1 . GLU 97 97 25081 1 . ARG 98 98 25081 1 . ALA 99 99 25081 1 . ALA 100 100 25081 1 . GLY 101 101 25081 1 . LEU 102 102 25081 1 . CYS 103 103 25081 1 . CYS 104 104 25081 1 . ARG 105 105 25081 1 . LEU 106 106 25081 1 . VAL 107 107 25081 1 . VAL 108 108 25081 1 . PRO 109 109 25081 1 . CYS 110 110 25081 1 . HIS 111 111 25081 1 . LYS 112 112 25081 1 stop_ save_ #################### # Natural source # #################### save_natural_source _Entity_natural_src_list.Sf_category natural_source _Entity_natural_src_list.Sf_framecode natural_source _Entity_natural_src_list.Entry_ID 25081 _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.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.Secretion _Entity_natural_src.Plasmid _Entity_natural_src.Gene_mnemonic _Entity_natural_src.Details _Entity_natural_src.Entry_ID _Entity_natural_src.Entity_natural_src_list_ID 1 1 $FynSH2_bound . 9606 organism . 'Homo sapiens' Human . . Eukaryota Metazoa Homo sapiens . . . . . . . . . . . . . 25081 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 25081 _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_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.Details _Entity_experimental_src.Entry_ID _Entity_experimental_src.Entity_experimental_src_list_ID 1 1 $FynSH2_bound . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli . . . . . . pET15b . . . 25081 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 25081 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '93% H2O/7% 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 'FynSH2 bound' '[U-99% 13C; U-99% 15N]' . . 1 $FynSH2_bound . . 1 . . mM . . . . 25081 1 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 25081 _Sample_condition_list.ID 1 _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID 'ionic strength' 0 . M 25081 1 pH 6.50 . pH 25081 1 pressure 1 . atm 25081 1 temperature 298 . K 25081 1 stop_ save_ ############################ # Computer software used # ############################ save_NMRPipe _Software.Sf_category software _Software.Sf_framecode NMRPipe _Software.Entry_ID 25081 _Software.ID 1 _Software.Name NMRPipe _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax' . . 25081 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID processing 25081 1 stop_ save_ save_CCPNMR _Software.Sf_category software _Software.Sf_framecode CCPNMR _Software.Entry_ID 25081 _Software.ID 2 _Software.Name CCPNMR _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID CCPN . . 25081 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' 25081 2 'peak picking' 25081 2 stop_ save_ save_TALOS _Software.Sf_category software _Software.Sf_framecode TALOS _Software.Entry_ID 25081 _Software.ID 3 _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' . . 25081 3 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'geometry optimization' 25081 3 stop_ save_ save_CYANA _Software.Sf_category software _Software.Sf_framecode CYANA _Software.Entry_ID 25081 _Software.ID 4 _Software.Name CYANA _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Guntert, Mumenthaler and Wuthrich' . . 25081 4 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'structure solution' 25081 4 stop_ save_ save_CNS _Software.Sf_category software _Software.Sf_framecode CNS _Software.Entry_ID 25081 _Software.ID 5 _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' . . 25081 5 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID refinement 25081 5 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_600 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode 600 _NMR_spectrometer.Entry_ID 25081 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Varian _NMR_spectrometer.Model 'Varian NMR Systems' _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ save_800 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode 800 _NMR_spectrometer.Entry_ID 25081 _NMR_spectrometer.ID 2 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Varian _NMR_spectrometer.Model 'Varian NMR Systems' _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 800 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 25081 _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 1 600 Varian 'Varian NMR Systems' . 600 . . . 25081 1 2 800 Varian 'Varian NMR Systems' . 800 . . . 25081 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 25081 _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 . . . . . . . . . . . . . . . . . . . . . 25081 1 2 '2D 1H-13C HSQC' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 25081 1 3 '2D 1H-1H TOCSY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 25081 1 4 '2D 1H-1H NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $800 . . . . . . . . . . . . . . . . 25081 1 5 '3D CBCA(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 25081 1 6 '3D C(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 25081 1 7 '3D HNCO' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 25081 1 8 '3D HNCACB' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 25081 1 9 '3D HBHA(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 25081 1 10 '3D H(CCO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 25081 1 11 '3D 1H-15N NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $800 . . . . . . . . . . . . . . . . 25081 1 12 '3D 1H-13C NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $800 . . . . . . . . . . . . . . . . 25081 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 25081 _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 . . . . . . . . . 25081 1 H 1 DSS 'methyl protons' . . . . ppm 0.00 internal direct 1.000000000 . . . . . . . . . 25081 1 N 15 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.101329118 . . . . . . . . . 25081 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 25081 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 1 '2D 1H-15N HSQC' . . . 25081 1 2 '2D 1H-13C HSQC' . . . 25081 1 4 '2D 1H-1H NOESY' . . . 25081 1 5 '3D CBCA(CO)NH' . . . 25081 1 6 '3D C(CO)NH' . . . 25081 1 7 '3D HNCO' . . . 25081 1 8 '3D HNCACB' . . . 25081 1 9 '3D HBHA(CO)NH' . . . 25081 1 10 '3D H(CCO)NH' . . . 25081 1 11 '3D 1H-15N NOESY' . . . 25081 1 12 '3D 1H-13C NOESY' . . . 25081 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 1 1 1 SER HA H 1 4.467 0.000 . 1 . . . . 137 Ser HA . 25081 1 2 . 1 1 1 1 SER HB2 H 1 3.851 0.004 . 1 . . . . 137 Ser HB2 . 25081 1 3 . 1 1 1 1 SER HB3 H 1 3.851 0.004 . 1 . . . . 137 Ser HB3 . 25081 1 4 . 1 1 1 1 SER C C 13 174.670 0.000 . 1 . . . . 137 Ser C . 25081 1 5 . 1 1 1 1 SER CA C 13 58.424 0.044 . 1 . . . . 137 Ser CA . 25081 1 6 . 1 1 1 1 SER CB C 13 63.866 0.030 . 1 . . . . 137 Ser CB . 25081 1 7 . 1 1 2 2 SER H H 1 8.534 0.002 . 1 . . . . 138 Ser H . 25081 1 8 . 1 1 2 2 SER HA H 1 4.448 0.002 . 1 . . . . 138 Ser HA . 25081 1 9 . 1 1 2 2 SER HB2 H 1 3.894 0.001 . 1 . . . . 138 Ser HB2 . 25081 1 10 . 1 1 2 2 SER HB3 H 1 3.894 0.001 . 1 . . . . 138 Ser HB3 . 25081 1 11 . 1 1 2 2 SER C C 13 174.992 0.000 . 1 . . . . 138 Ser C . 25081 1 12 . 1 1 2 2 SER CA C 13 58.731 0.061 . 1 . . . . 138 Ser CA . 25081 1 13 . 1 1 2 2 SER CB C 13 63.862 0.017 . 1 . . . . 138 Ser CB . 25081 1 14 . 1 1 2 2 SER N N 15 118.235 0.022 . 1 . . . . 138 Ser N . 25081 1 15 . 1 1 3 3 GLY H H 1 8.417 0.001 . 1 . . . . 139 Gly H . 25081 1 16 . 1 1 3 3 GLY HA2 H 1 4.038 0.001 . 2 . . . . 139 Gly HA2 . 25081 1 17 . 1 1 3 3 GLY HA3 H 1 3.869 0.001 . 2 . . . . 139 Gly HA3 . 25081 1 18 . 1 1 3 3 GLY C C 13 173.845 0.000 . 1 . . . . 139 Gly C . 25081 1 19 . 1 1 3 3 GLY CA C 13 45.308 0.022 . 1 . . . . 139 Gly CA . 25081 1 20 . 1 1 3 3 GLY N N 15 110.557 0.005 . 1 . . . . 139 Gly N . 25081 1 21 . 1 1 4 4 LEU H H 1 8.074 0.001 . 1 . . . . 140 Leu H . 25081 1 22 . 1 1 4 4 LEU HA H 1 4.326 0.007 . 1 . . . . 140 Leu HA . 25081 1 23 . 1 1 4 4 LEU HB2 H 1 1.464 0.011 . 2 . . . . 140 Leu HB2 . 25081 1 24 . 1 1 4 4 LEU HB3 H 1 1.570 0.011 . 2 . . . . 140 Leu HB3 . 25081 1 25 . 1 1 4 4 LEU HG H 1 1.509 0.002 . 1 . . . . 140 Leu HG . 25081 1 26 . 1 1 4 4 LEU HD11 H 1 0.808 0.006 . 1 . . . . 140 Leu HD11 . 25081 1 27 . 1 1 4 4 LEU HD12 H 1 0.808 0.006 . 1 . . . . 140 Leu HD12 . 25081 1 28 . 1 1 4 4 LEU HD13 H 1 0.808 0.006 . 1 . . . . 140 Leu HD13 . 25081 1 29 . 1 1 4 4 LEU HD21 H 1 0.762 0.007 . 1 . . . . 140 Leu HD21 . 25081 1 30 . 1 1 4 4 LEU HD22 H 1 0.762 0.007 . 1 . . . . 140 Leu HD22 . 25081 1 31 . 1 1 4 4 LEU HD23 H 1 0.762 0.007 . 1 . . . . 140 Leu HD23 . 25081 1 32 . 1 1 4 4 LEU C C 13 177.052 0.000 . 1 . . . . 140 Leu C . 25081 1 33 . 1 1 4 4 LEU CA C 13 55.149 0.025 . 1 . . . . 140 Leu CA . 25081 1 34 . 1 1 4 4 LEU CB C 13 42.395 0.041 . 1 . . . . 140 Leu CB . 25081 1 35 . 1 1 4 4 LEU CG C 13 26.975 0.070 . 1 . . . . 140 Leu CG . 25081 1 36 . 1 1 4 4 LEU CD1 C 13 24.897 0.049 . 1 . . . . 140 Leu CD1 . 25081 1 37 . 1 1 4 4 LEU CD2 C 13 23.471 0.034 . 1 . . . . 140 Leu CD2 . 25081 1 38 . 1 1 4 4 LEU N N 15 121.573 0.008 . 1 . . . . 140 Leu N . 25081 1 39 . 1 1 5 5 VAL H H 1 8.020 0.002 . 1 . . . . 141 Val H . 25081 1 40 . 1 1 5 5 VAL HA H 1 4.379 0.007 . 1 . . . . 141 Val HA . 25081 1 41 . 1 1 5 5 VAL HB H 1 2.000 0.006 . 1 . . . . 141 Val HB . 25081 1 42 . 1 1 5 5 VAL HG11 H 1 0.879 0.003 . 1 . . . . 141 Val HG11 . 25081 1 43 . 1 1 5 5 VAL HG12 H 1 0.879 0.003 . 1 . . . . 141 Val HG12 . 25081 1 44 . 1 1 5 5 VAL HG13 H 1 0.879 0.003 . 1 . . . . 141 Val HG13 . 25081 1 45 . 1 1 5 5 VAL HG21 H 1 0.874 0.001 . 1 . . . . 141 Val HG21 . 25081 1 46 . 1 1 5 5 VAL HG22 H 1 0.874 0.001 . 1 . . . . 141 Val HG22 . 25081 1 47 . 1 1 5 5 VAL HG23 H 1 0.874 0.001 . 1 . . . . 141 Val HG23 . 25081 1 48 . 1 1 5 5 VAL CA C 13 59.728 0.047 . 1 . . . . 141 Val CA . 25081 1 49 . 1 1 5 5 VAL CB C 13 32.903 0.065 . 1 . . . . 141 Val CB . 25081 1 50 . 1 1 5 5 VAL CG1 C 13 21.000 0.076 . 1 . . . . 141 Val CG1 . 25081 1 51 . 1 1 5 5 VAL CG2 C 13 20.447 0.033 . 1 . . . . 141 Val CG2 . 25081 1 52 . 1 1 5 5 VAL N N 15 122.512 0.002 . 1 . . . . 141 Val N . 25081 1 53 . 1 1 6 6 PRO HA H 1 4.351 0.007 . 1 . . . . 142 Pro HA . 25081 1 54 . 1 1 6 6 PRO HB2 H 1 1.787 0.001 . 2 . . . . 142 Pro HB2 . 25081 1 55 . 1 1 6 6 PRO HB3 H 1 2.157 0.010 . 2 . . . . 142 Pro HB3 . 25081 1 56 . 1 1 6 6 PRO HG2 H 1 1.909 0.008 . 2 . . . . 142 Pro HG2 . 25081 1 57 . 1 1 6 6 PRO HG3 H 1 1.846 0.008 . 2 . . . . 142 Pro HG3 . 25081 1 58 . 1 1 6 6 PRO HD2 H 1 3.550 0.009 . 2 . . . . 142 Pro HD2 . 25081 1 59 . 1 1 6 6 PRO HD3 H 1 3.828 0.008 . 2 . . . . 142 Pro HD3 . 25081 1 60 . 1 1 6 6 PRO C C 13 176.786 0.000 . 1 . . . . 142 Pro C . 25081 1 61 . 1 1 6 6 PRO CA C 13 63.072 0.071 . 1 . . . . 142 Pro CA . 25081 1 62 . 1 1 6 6 PRO CB C 13 31.930 0.004 . 1 . . . . 142 Pro CB . 25081 1 63 . 1 1 6 6 PRO CG C 13 27.476 0.039 . 1 . . . . 142 Pro CG . 25081 1 64 . 1 1 6 6 PRO CD C 13 51.037 0.039 . 1 . . . . 142 Pro CD . 25081 1 65 . 1 1 7 7 ARG H H 1 8.495 0.001 . 1 . . . . 143 Arg H . 25081 1 66 . 1 1 7 7 ARG HA H 1 4.218 0.006 . 1 . . . . 143 Arg HA . 25081 1 67 . 1 1 7 7 ARG HB2 H 1 1.772 0.005 . 2 . . . . 143 Arg HB2 . 25081 1 68 . 1 1 7 7 ARG HB3 H 1 1.831 0.004 . 2 . . . . 143 Arg HB3 . 25081 1 69 . 1 1 7 7 ARG HG2 H 1 1.643 0.005 . 2 . . . . 143 Arg HG2 . 25081 1 70 . 1 1 7 7 ARG HG3 H 1 1.580 0.002 . 2 . . . . 143 Arg HG3 . 25081 1 71 . 1 1 7 7 ARG HD2 H 1 3.126 0.001 . 1 . . . . 143 Arg HD2 . 25081 1 72 . 1 1 7 7 ARG HD3 H 1 3.126 0.001 . 1 . . . . 143 Arg HD3 . 25081 1 73 . 1 1 7 7 ARG C C 13 176.905 0.000 . 1 . . . . 143 Arg C . 25081 1 74 . 1 1 7 7 ARG CA C 13 56.505 0.038 . 1 . . . . 143 Arg CA . 25081 1 75 . 1 1 7 7 ARG CB C 13 30.464 0.041 . 1 . . . . 143 Arg CB . 25081 1 76 . 1 1 7 7 ARG CG C 13 27.080 0.057 . 1 . . . . 143 Arg CG . 25081 1 77 . 1 1 7 7 ARG CD C 13 43.246 0.056 . 1 . . . . 143 Arg CD . 25081 1 78 . 1 1 7 7 ARG N N 15 121.547 0.004 . 1 . . . . 143 Arg N . 25081 1 79 . 1 1 8 8 GLY H H 1 8.487 0.001 . 1 . . . . 144 Gly H . 25081 1 80 . 1 1 8 8 GLY HA2 H 1 3.895 0.000 . 1 . . . . 144 Gly HA2 . 25081 1 81 . 1 1 8 8 GLY HA3 H 1 3.895 0.000 . 1 . . . . 144 Gly HA3 . 25081 1 82 . 1 1 8 8 GLY C C 13 173.933 0.000 . 1 . . . . 144 Gly C . 25081 1 83 . 1 1 8 8 GLY CA C 13 45.285 0.021 . 1 . . . . 144 Gly CA . 25081 1 84 . 1 1 8 8 GLY N N 15 110.254 0.010 . 1 . . . . 144 Gly N . 25081 1 85 . 1 1 9 9 SER H H 1 8.060 0.002 . 1 . . . . 145 Ser H . 25081 1 86 . 1 1 9 9 SER HA H 1 4.244 0.000 . 1 . . . . 145 Ser HA . 25081 1 87 . 1 1 9 9 SER HB2 H 1 3.679 0.000 . 1 . . . . 145 Ser HB2 . 25081 1 88 . 1 1 9 9 SER HB3 H 1 3.679 0.000 . 1 . . . . 145 Ser HB3 . 25081 1 89 . 1 1 9 9 SER C C 13 174.295 0.000 . 1 . . . . 145 Ser C . 25081 1 90 . 1 1 9 9 SER CA C 13 58.585 0.016 . 1 . . . . 145 Ser CA . 25081 1 91 . 1 1 9 9 SER CB C 13 63.744 0.043 . 1 . . . . 145 Ser CB . 25081 1 92 . 1 1 9 9 SER N N 15 115.029 0.006 . 1 . . . . 145 Ser N . 25081 1 93 . 1 1 10 10 HIS H H 1 8.379 0.003 . 1 . . . . 146 His H . 25081 1 94 . 1 1 10 10 HIS HA H 1 4.488 0.000 . 1 . . . . 146 His HA . 25081 1 95 . 1 1 10 10 HIS HB2 H 1 3.051 0.000 . 2 . . . . 146 His HB2 . 25081 1 96 . 1 1 10 10 HIS HB3 H 1 3.154 0.000 . 2 . . . . 146 His HB3 . 25081 1 97 . 1 1 10 10 HIS C C 13 174.687 0.000 . 1 . . . . 146 His C . 25081 1 98 . 1 1 10 10 HIS CA C 13 56.078 0.000 . 1 . . . . 146 His CA . 25081 1 99 . 1 1 10 10 HIS CB C 13 29.461 0.000 . 1 . . . . 146 His CB . 25081 1 100 . 1 1 10 10 HIS N N 15 120.140 0.025 . 1 . . . . 146 His N . 25081 1 101 . 1 1 11 11 MET H H 1 8.086 0.003 . 1 . . . . 147 Met H . 25081 1 102 . 1 1 11 11 MET HA H 1 3.730 0.009 . 1 . . . . 147 Met HA . 25081 1 103 . 1 1 11 11 MET HB2 H 1 1.105 0.008 . 2 . . . . 147 Met HB2 . 25081 1 104 . 1 1 11 11 MET HB3 H 1 0.974 0.004 . 2 . . . . 147 Met HB3 . 25081 1 105 . 1 1 11 11 MET HG2 H 1 2.149 0.000 . 2 . . . . 147 Met HG2 . 25081 1 106 . 1 1 11 11 MET HG3 H 1 1.981 0.000 . 2 . . . . 147 Met HG3 . 25081 1 107 . 1 1 11 11 MET HE1 H 1 1.829 0.003 . 1 . . . . 147 Met HE1 . 25081 1 108 . 1 1 11 11 MET HE2 H 1 1.829 0.003 . 1 . . . . 147 Met HE2 . 25081 1 109 . 1 1 11 11 MET HE3 H 1 1.829 0.003 . 1 . . . . 147 Met HE3 . 25081 1 110 . 1 1 11 11 MET C C 13 177.111 0.000 . 1 . . . . 147 Met C . 25081 1 111 . 1 1 11 11 MET CA C 13 54.312 0.016 . 1 . . . . 147 Met CA . 25081 1 112 . 1 1 11 11 MET CB C 13 31.956 0.039 . 1 . . . . 147 Met CB . 25081 1 113 . 1 1 11 11 MET CG C 13 31.916 0.012 . 1 . . . . 147 Met CG . 25081 1 114 . 1 1 11 11 MET CE C 13 17.126 0.078 . 1 . . . . 147 Met CE . 25081 1 115 . 1 1 11 11 MET N N 15 119.891 0.020 . 1 . . . . 147 Met N . 25081 1 116 . 1 1 12 12 GLU H H 1 9.080 0.002 . 1 . . . . 148 Glu H . 25081 1 117 . 1 1 12 12 GLU HA H 1 3.805 0.006 . 1 . . . . 148 Glu HA . 25081 1 118 . 1 1 12 12 GLU HB2 H 1 1.884 0.014 . 1 . . . . 148 Glu HB2 . 25081 1 119 . 1 1 12 12 GLU HB3 H 1 1.884 0.014 . 1 . . . . 148 Glu HB3 . 25081 1 120 . 1 1 12 12 GLU HG2 H 1 2.242 0.007 . 1 . . . . 148 Glu HG2 . 25081 1 121 . 1 1 12 12 GLU HG3 H 1 2.242 0.007 . 1 . . . . 148 Glu HG3 . 25081 1 122 . 1 1 12 12 GLU C C 13 175.563 0.000 . 1 . . . . 148 Glu C . 25081 1 123 . 1 1 12 12 GLU CA C 13 59.298 0.035 . 1 . . . . 148 Glu CA . 25081 1 124 . 1 1 12 12 GLU CB C 13 29.132 0.041 . 1 . . . . 148 Glu CB . 25081 1 125 . 1 1 12 12 GLU CG C 13 36.418 0.024 . 1 . . . . 148 Glu CG . 25081 1 126 . 1 1 12 12 GLU N N 15 121.568 0.025 . 1 . . . . 148 Glu N . 25081 1 127 . 1 1 13 13 TRP H H 1 6.212 0.003 . 1 . . . A 149 TRP H . 25081 1 128 . 1 1 13 13 TRP HA H 1 4.570 0.000 . 1 . . . A 149 TRP HA . 25081 1 129 . 1 1 13 13 TRP HB2 H 1 3.622 0.000 . 2 . . . A 149 TRP HB2 . 25081 1 130 . 1 1 13 13 TRP HB3 H 1 2.688 0.000 . 2 . . . A 149 TRP HB3 . 25081 1 131 . 1 1 13 13 TRP HD1 H 1 7.429 0.008 . 1 . . . A 149 TRP HD1 . 25081 1 132 . 1 1 13 13 TRP HE1 H 1 10.845 0.003 . 1 . . . A 149 TRP HE1 . 25081 1 133 . 1 1 13 13 TRP HE3 H 1 7.278 0.000 . 1 . . . A 149 TRP HE3 . 25081 1 134 . 1 1 13 13 TRP HZ2 H 1 7.380 0.003 . 1 . . . A 149 TRP HZ2 . 25081 1 135 . 1 1 13 13 TRP HZ3 H 1 6.741 0.000 . 1 . . . A 149 TRP HZ3 . 25081 1 136 . 1 1 13 13 TRP HH2 H 1 6.791 0.000 . 1 . . . A 149 TRP HH2 . 25081 1 137 . 1 1 13 13 TRP C C 13 175.212 0.000 . 1 . . . A 149 TRP C . 25081 1 138 . 1 1 13 13 TRP CA C 13 53.675 0.006 . 1 . . . A 149 TRP CA . 25081 1 139 . 1 1 13 13 TRP CB C 13 31.400 0.017 . 1 . . . A 149 TRP CB . 25081 1 140 . 1 1 13 13 TRP CD1 C 13 129.869 0.000 . 1 . . . A 149 TRP CD1 . 25081 1 141 . 1 1 13 13 TRP CE3 C 13 122.296 0.000 . 1 . . . A 149 TRP CE3 . 25081 1 142 . 1 1 13 13 TRP CZ2 C 13 114.909 0.000 . 1 . . . A 149 TRP CZ2 . 25081 1 143 . 1 1 13 13 TRP CZ3 C 13 121.942 0.000 . 1 . . . A 149 TRP CZ3 . 25081 1 144 . 1 1 13 13 TRP CH2 C 13 124.565 0.000 . 1 . . . A 149 TRP CH2 . 25081 1 145 . 1 1 13 13 TRP N N 15 109.912 0.017 . 1 . . . A 149 TRP N . 25081 1 146 . 1 1 13 13 TRP NE1 N 15 132.941 0.000 . 1 . . . A 149 TRP NE1 . 25081 1 147 . 1 1 14 14 TYR H H 1 7.694 0.003 . 1 . . . A 150 TYR H . 25081 1 148 . 1 1 14 14 TYR HA H 1 5.227 0.000 . 1 . . . A 150 TYR HA . 25081 1 149 . 1 1 14 14 TYR HB2 H 1 2.779 0.000 . 2 . . . A 150 TYR HB2 . 25081 1 150 . 1 1 14 14 TYR HB3 H 1 2.394 0.000 . 2 . . . A 150 TYR HB3 . 25081 1 151 . 1 1 14 14 TYR HD1 H 1 6.987 0.004 . 3 . . . A 150 TYR HD1 . 25081 1 152 . 1 1 14 14 TYR HD2 H 1 6.987 0.004 . 3 . . . A 150 TYR HD2 . 25081 1 153 . 1 1 14 14 TYR HE1 H 1 6.782 0.009 . 3 . . . A 150 TYR HE1 . 25081 1 154 . 1 1 14 14 TYR HE2 H 1 6.782 0.009 . 3 . . . A 150 TYR HE2 . 25081 1 155 . 1 1 14 14 TYR C C 13 175.438 0.000 . 1 . . . A 150 TYR C . 25081 1 156 . 1 1 14 14 TYR CA C 13 58.736 0.016 . 1 . . . A 150 TYR CA . 25081 1 157 . 1 1 14 14 TYR CB C 13 38.144 0.011 . 1 . . . A 150 TYR CB . 25081 1 158 . 1 1 14 14 TYR CD1 C 13 133.359 0.000 . 3 . . . A 150 TYR CD1 . 25081 1 159 . 1 1 14 14 TYR CD2 C 13 133.359 0.000 . 3 . . . A 150 TYR CD2 . 25081 1 160 . 1 1 14 14 TYR CE1 C 13 118.324 0.000 . 3 . . . A 150 TYR CE1 . 25081 1 161 . 1 1 14 14 TYR CE2 C 13 118.324 0.000 . 3 . . . A 150 TYR CE2 . 25081 1 162 . 1 1 14 14 TYR N N 15 122.960 0.019 . 1 . . . A 150 TYR N . 25081 1 163 . 1 1 15 15 PHE H H 1 9.252 0.007 . 1 . . . A 151 PHE H . 25081 1 164 . 1 1 15 15 PHE HA H 1 4.408 0.000 . 1 . . . A 151 PHE HA . 25081 1 165 . 1 1 15 15 PHE HB2 H 1 3.273 0.000 . 2 . . . A 151 PHE HB2 . 25081 1 166 . 1 1 15 15 PHE HB3 H 1 2.613 0.000 . 2 . . . A 151 PHE HB3 . 25081 1 167 . 1 1 15 15 PHE HD1 H 1 7.297 0.006 . 3 . . . A 151 PHE HD1 . 25081 1 168 . 1 1 15 15 PHE HD2 H 1 7.297 0.006 . 3 . . . A 151 PHE HD2 . 25081 1 169 . 1 1 15 15 PHE HE1 H 1 7.290 0.010 . 3 . . . A 151 PHE HE1 . 25081 1 170 . 1 1 15 15 PHE HE2 H 1 7.290 0.010 . 3 . . . A 151 PHE HE2 . 25081 1 171 . 1 1 15 15 PHE HZ H 1 7.018 0.005 . 1 . . . A 151 PHE HZ . 25081 1 172 . 1 1 15 15 PHE C C 13 175.543 0.000 . 1 . . . A 151 PHE C . 25081 1 173 . 1 1 15 15 PHE CA C 13 57.419 0.024 . 1 . . . A 151 PHE CA . 25081 1 174 . 1 1 15 15 PHE CB C 13 40.339 0.048 . 1 . . . A 151 PHE CB . 25081 1 175 . 1 1 15 15 PHE CD1 C 13 131.820 0.000 . 3 . . . A 151 PHE CD1 . 25081 1 176 . 1 1 15 15 PHE CD2 C 13 131.820 0.000 . 3 . . . A 151 PHE CD2 . 25081 1 177 . 1 1 15 15 PHE CE1 C 13 130.198 0.000 . 3 . . . A 151 PHE CE1 . 25081 1 178 . 1 1 15 15 PHE CE2 C 13 130.198 0.000 . 3 . . . A 151 PHE CE2 . 25081 1 179 . 1 1 15 15 PHE CZ C 13 130.777 0.000 . 1 . . . A 151 PHE CZ . 25081 1 180 . 1 1 15 15 PHE N N 15 128.698 0.015 . 1 . . . A 151 PHE N . 25081 1 181 . 1 1 16 16 GLY H H 1 5.553 0.003 . 1 . . . A 152 GLY H . 25081 1 182 . 1 1 16 16 GLY HA2 H 1 3.550 0.009 . 2 . . . A 152 GLY HA2 . 25081 1 183 . 1 1 16 16 GLY HA3 H 1 3.796 0.006 . 2 . . . A 152 GLY HA3 . 25081 1 184 . 1 1 16 16 GLY C C 13 173.958 0.000 . 1 . . . A 152 GLY C . 25081 1 185 . 1 1 16 16 GLY CA C 13 47.545 0.016 . 1 . . . A 152 GLY CA . 25081 1 186 . 1 1 16 16 GLY N N 15 104.455 0.012 . 1 . . . A 152 GLY N . 25081 1 187 . 1 1 17 17 LYS H H 1 8.704 0.002 . 1 . . . A 153 LYS H . 25081 1 188 . 1 1 17 17 LYS HA H 1 4.209 0.002 . 1 . . . A 153 LYS HA . 25081 1 189 . 1 1 17 17 LYS HB2 H 1 1.667 0.003 . 2 . . . A 153 LYS HB2 . 25081 1 190 . 1 1 17 17 LYS HB3 H 1 1.897 0.003 . 2 . . . A 153 LYS HB3 . 25081 1 191 . 1 1 17 17 LYS HG2 H 1 1.306 0.004 . 2 . . . A 153 LYS HG2 . 25081 1 192 . 1 1 17 17 LYS HG3 H 1 1.414 0.004 . 2 . . . A 153 LYS HG3 . 25081 1 193 . 1 1 17 17 LYS HD2 H 1 1.685 0.004 . 1 . . . A 153 LYS HD2 . 25081 1 194 . 1 1 17 17 LYS HD3 H 1 1.685 0.004 . 1 . . . A 153 LYS HD3 . 25081 1 195 . 1 1 17 17 LYS HE2 H 1 3.186 0.007 . 1 . . . A 153 LYS HE2 . 25081 1 196 . 1 1 17 17 LYS HE3 H 1 3.186 0.007 . 1 . . . A 153 LYS HE3 . 25081 1 197 . 1 1 17 17 LYS C C 13 174.488 0.000 . 1 . . . A 153 LYS C . 25081 1 198 . 1 1 17 17 LYS CA C 13 56.995 0.031 . 1 . . . A 153 LYS CA . 25081 1 199 . 1 1 17 17 LYS CB C 13 31.149 0.048 . 1 . . . A 153 LYS CB . 25081 1 200 . 1 1 17 17 LYS CG C 13 24.917 0.056 . 1 . . . A 153 LYS CG . 25081 1 201 . 1 1 17 17 LYS CD C 13 29.328 0.018 . 1 . . . A 153 LYS CD . 25081 1 202 . 1 1 17 17 LYS CE C 13 43.201 0.025 . 1 . . . A 153 LYS CE . 25081 1 203 . 1 1 17 17 LYS N N 15 127.586 0.010 . 1 . . . A 153 LYS N . 25081 1 204 . 1 1 18 18 LEU H H 1 7.599 0.001 . 1 . . . A 154 LEU H . 25081 1 205 . 1 1 18 18 LEU HA H 1 4.400 0.005 . 1 . . . A 154 LEU HA . 25081 1 206 . 1 1 18 18 LEU HB2 H 1 1.511 0.005 . 1 . . . A 154 LEU HB2 . 25081 1 207 . 1 1 18 18 LEU HB3 H 1 1.511 0.005 . 1 . . . A 154 LEU HB3 . 25081 1 208 . 1 1 18 18 LEU HG H 1 1.768 0.007 . 1 . . . A 154 LEU HG . 25081 1 209 . 1 1 18 18 LEU HD11 H 1 1.039 0.009 . 1 . . . A 154 LEU HD11 . 25081 1 210 . 1 1 18 18 LEU HD12 H 1 1.039 0.009 . 1 . . . A 154 LEU HD12 . 25081 1 211 . 1 1 18 18 LEU HD13 H 1 1.039 0.009 . 1 . . . A 154 LEU HD13 . 25081 1 212 . 1 1 18 18 LEU HD21 H 1 0.668 0.007 . 1 . . . A 154 LEU HD21 . 25081 1 213 . 1 1 18 18 LEU HD22 H 1 0.668 0.007 . 1 . . . A 154 LEU HD22 . 25081 1 214 . 1 1 18 18 LEU HD23 H 1 0.668 0.007 . 1 . . . A 154 LEU HD23 . 25081 1 215 . 1 1 18 18 LEU C C 13 175.738 0.000 . 1 . . . A 154 LEU C . 25081 1 216 . 1 1 18 18 LEU CA C 13 54.836 0.039 . 1 . . . A 154 LEU CA . 25081 1 217 . 1 1 18 18 LEU CB C 13 44.584 0.024 . 1 . . . A 154 LEU CB . 25081 1 218 . 1 1 18 18 LEU CG C 13 26.561 0.047 . 1 . . . A 154 LEU CG . 25081 1 219 . 1 1 18 18 LEU CD1 C 13 24.306 0.024 . 1 . . . A 154 LEU CD1 . 25081 1 220 . 1 1 18 18 LEU CD2 C 13 27.360 0.033 . 1 . . . A 154 LEU CD2 . 25081 1 221 . 1 1 18 18 LEU N N 15 128.976 0.006 . 1 . . . A 154 LEU N . 25081 1 222 . 1 1 19 19 GLY H H 1 9.117 0.002 . 1 . . . A 155 GLY H . 25081 1 223 . 1 1 19 19 GLY HA2 H 1 3.924 0.000 . 2 . . . A 155 GLY HA2 . 25081 1 224 . 1 1 19 19 GLY HA3 H 1 3.987 0.000 . 2 . . . A 155 GLY HA3 . 25081 1 225 . 1 1 19 19 GLY C C 13 173.229 0.000 . 1 . . . A 155 GLY C . 25081 1 226 . 1 1 19 19 GLY CA C 13 44.951 0.009 . 1 . . . A 155 GLY CA . 25081 1 227 . 1 1 19 19 GLY N N 15 114.557 0.017 . 1 . . . A 155 GLY N . 25081 1 228 . 1 1 20 20 ARG H H 1 8.583 0.001 . 1 . . . A 156 ARG H . 25081 1 229 . 1 1 20 20 ARG HA H 1 3.441 0.006 . 1 . . . A 156 ARG HA . 25081 1 230 . 1 1 20 20 ARG HB2 H 1 1.588 0.002 . 2 . . . A 156 ARG HB2 . 25081 1 231 . 1 1 20 20 ARG HB3 H 1 1.836 0.001 . 2 . . . A 156 ARG HB3 . 25081 1 232 . 1 1 20 20 ARG HG2 H 1 0.596 0.002 . 2 . . . A 156 ARG HG2 . 25081 1 233 . 1 1 20 20 ARG HG3 H 1 1.107 0.003 . 2 . . . A 156 ARG HG3 . 25081 1 234 . 1 1 20 20 ARG HD2 H 1 2.895 0.002 . 1 . . . A 156 ARG HD2 . 25081 1 235 . 1 1 20 20 ARG HD3 H 1 2.895 0.002 . 1 . . . A 156 ARG HD3 . 25081 1 236 . 1 1 20 20 ARG C C 13 177.951 0.000 . 1 . . . A 156 ARG C . 25081 1 237 . 1 1 20 20 ARG CA C 13 60.646 0.079 . 1 . . . A 156 ARG CA . 25081 1 238 . 1 1 20 20 ARG CB C 13 31.081 0.023 . 1 . . . A 156 ARG CB . 25081 1 239 . 1 1 20 20 ARG CG C 13 28.045 0.059 . 1 . . . A 156 ARG CG . 25081 1 240 . 1 1 20 20 ARG CD C 13 42.528 0.057 . 1 . . . A 156 ARG CD . 25081 1 241 . 1 1 20 20 ARG N N 15 121.869 0.006 . 1 . . . A 156 ARG N . 25081 1 242 . 1 1 21 21 LYS H H 1 8.716 0.002 . 1 . . . A 157 LYS H . 25081 1 243 . 1 1 21 21 LYS HA H 1 3.952 0.006 . 1 . . . A 157 LYS HA . 25081 1 244 . 1 1 21 21 LYS HB2 H 1 1.782 0.003 . 1 . . . A 157 LYS HB2 . 25081 1 245 . 1 1 21 21 LYS HB3 H 1 1.782 0.003 . 1 . . . A 157 LYS HB3 . 25081 1 246 . 1 1 21 21 LYS HG2 H 1 1.377 0.005 . 2 . . . A 157 LYS HG2 . 25081 1 247 . 1 1 21 21 LYS HG3 H 1 1.485 0.004 . 2 . . . A 157 LYS HG3 . 25081 1 248 . 1 1 21 21 LYS HD2 H 1 1.646 0.005 . 1 . . . A 157 LYS HD2 . 25081 1 249 . 1 1 21 21 LYS HD3 H 1 1.646 0.005 . 1 . . . A 157 LYS HD3 . 25081 1 250 . 1 1 21 21 LYS HE2 H 1 2.949 0.005 . 1 . . . A 157 LYS HE2 . 25081 1 251 . 1 1 21 21 LYS HE3 H 1 2.949 0.005 . 1 . . . A 157 LYS HE3 . 25081 1 252 . 1 1 21 21 LYS C C 13 179.835 0.000 . 1 . . . A 157 LYS C . 25081 1 253 . 1 1 21 21 LYS CA C 13 59.567 0.053 . 1 . . . A 157 LYS CA . 25081 1 254 . 1 1 21 21 LYS CB C 13 31.338 0.043 . 1 . . . A 157 LYS CB . 25081 1 255 . 1 1 21 21 LYS CG C 13 25.011 0.039 . 1 . . . A 157 LYS CG . 25081 1 256 . 1 1 21 21 LYS CD C 13 28.772 0.046 . 1 . . . A 157 LYS CD . 25081 1 257 . 1 1 21 21 LYS CE C 13 42.003 0.053 . 1 . . . A 157 LYS CE . 25081 1 258 . 1 1 21 21 LYS N N 15 118.128 0.006 . 1 . . . A 157 LYS N . 25081 1 259 . 1 1 22 22 ASP H H 1 8.121 0.002 . 1 . . . A 158 ASP H . 25081 1 260 . 1 1 22 22 ASP HA H 1 4.416 0.005 . 1 . . . A 158 ASP HA . 25081 1 261 . 1 1 22 22 ASP HB2 H 1 2.520 0.002 . 2 . . . A 158 ASP HB2 . 25081 1 262 . 1 1 22 22 ASP HB3 H 1 2.634 0.002 . 2 . . . A 158 ASP HB3 . 25081 1 263 . 1 1 22 22 ASP C C 13 178.566 0.000 . 1 . . . A 158 ASP C . 25081 1 264 . 1 1 22 22 ASP CA C 13 57.221 0.003 . 1 . . . A 158 ASP CA . 25081 1 265 . 1 1 22 22 ASP CB C 13 40.631 0.042 . 1 . . . A 158 ASP CB . 25081 1 266 . 1 1 22 22 ASP N N 15 120.485 0.006 . 1 . . . A 158 ASP N . 25081 1 267 . 1 1 23 23 ALA H H 1 8.555 0.001 . 1 . . . A 159 ALA H . 25081 1 268 . 1 1 23 23 ALA HA H 1 3.771 0.007 . 1 . . . A 159 ALA HA . 25081 1 269 . 1 1 23 23 ALA HB1 H 1 1.376 0.008 . 1 . . . A 159 ALA HB1 . 25081 1 270 . 1 1 23 23 ALA HB2 H 1 1.376 0.008 . 1 . . . A 159 ALA HB2 . 25081 1 271 . 1 1 23 23 ALA HB3 H 1 1.376 0.008 . 1 . . . A 159 ALA HB3 . 25081 1 272 . 1 1 23 23 ALA C C 13 179.212 0.000 . 1 . . . A 159 ALA C . 25081 1 273 . 1 1 23 23 ALA CA C 13 55.347 0.037 . 1 . . . A 159 ALA CA . 25081 1 274 . 1 1 23 23 ALA CB C 13 18.347 0.043 . 1 . . . A 159 ALA CB . 25081 1 275 . 1 1 23 23 ALA N N 15 122.311 0.010 . 1 . . . A 159 ALA N . 25081 1 276 . 1 1 24 24 GLU H H 1 8.300 0.002 . 1 . . . A 160 GLU H . 25081 1 277 . 1 1 24 24 GLU HA H 1 3.768 0.005 . 1 . . . A 160 GLU HA . 25081 1 278 . 1 1 24 24 GLU HB2 H 1 1.997 0.000 . 2 . . . A 160 GLU HB2 . 25081 1 279 . 1 1 24 24 GLU HB3 H 1 2.278 0.002 . 2 . . . A 160 GLU HB3 . 25081 1 280 . 1 1 24 24 GLU HG2 H 1 3.024 0.011 . 2 . . . A 160 GLU HG2 . 25081 1 281 . 1 1 24 24 GLU HG3 H 1 1.912 0.006 . 2 . . . A 160 GLU HG3 . 25081 1 282 . 1 1 24 24 GLU C C 13 177.305 0.000 . 1 . . . A 160 GLU C . 25081 1 283 . 1 1 24 24 GLU CA C 13 60.672 0.045 . 1 . . . A 160 GLU CA . 25081 1 284 . 1 1 24 24 GLU CB C 13 28.416 0.030 . 1 . . . A 160 GLU CB . 25081 1 285 . 1 1 24 24 GLU CG C 13 37.220 0.043 . 1 . . . A 160 GLU CG . 25081 1 286 . 1 1 24 24 GLU N N 15 115.994 0.010 . 1 . . . A 160 GLU N . 25081 1 287 . 1 1 25 25 ARG H H 1 7.784 0.002 . 1 . . . A 161 ARG H . 25081 1 288 . 1 1 25 25 ARG HA H 1 3.876 0.002 . 1 . . . A 161 ARG HA . 25081 1 289 . 1 1 25 25 ARG HB2 H 1 1.924 0.002 . 1 . . . A 161 ARG HB2 . 25081 1 290 . 1 1 25 25 ARG HB3 H 1 1.924 0.002 . 1 . . . A 161 ARG HB3 . 25081 1 291 . 1 1 25 25 ARG HG2 H 1 1.564 0.006 . 2 . . . A 161 ARG HG2 . 25081 1 292 . 1 1 25 25 ARG HG3 H 1 1.714 0.008 . 2 . . . A 161 ARG HG3 . 25081 1 293 . 1 1 25 25 ARG HD2 H 1 3.219 0.006 . 1 . . . A 161 ARG HD2 . 25081 1 294 . 1 1 25 25 ARG HD3 H 1 3.219 0.006 . 1 . . . A 161 ARG HD3 . 25081 1 295 . 1 1 25 25 ARG C C 13 179.290 0.000 . 1 . . . A 161 ARG C . 25081 1 296 . 1 1 25 25 ARG CA C 13 59.310 0.052 . 1 . . . A 161 ARG CA . 25081 1 297 . 1 1 25 25 ARG CB C 13 29.982 0.067 . 1 . . . A 161 ARG CB . 25081 1 298 . 1 1 25 25 ARG CG C 13 27.398 0.044 . 1 . . . A 161 ARG CG . 25081 1 299 . 1 1 25 25 ARG CD C 13 43.266 0.009 . 1 . . . A 161 ARG CD . 25081 1 300 . 1 1 25 25 ARG N N 15 117.450 0.009 . 1 . . . A 161 ARG N . 25081 1 301 . 1 1 26 26 GLN H H 1 7.816 0.001 . 1 . . . A 162 GLN H . 25081 1 302 . 1 1 26 26 GLN HA H 1 3.867 0.003 . 1 . . . A 162 GLN HA . 25081 1 303 . 1 1 26 26 GLN HB2 H 1 1.905 0.004 . 1 . . . A 162 GLN HB2 . 25081 1 304 . 1 1 26 26 GLN HB3 H 1 1.905 0.004 . 1 . . . A 162 GLN HB3 . 25081 1 305 . 1 1 26 26 GLN HG2 H 1 2.324 0.007 . 2 . . . A 162 GLN HG2 . 25081 1 306 . 1 1 26 26 GLN HG3 H 1 2.220 0.009 . 2 . . . A 162 GLN HG3 . 25081 1 307 . 1 1 26 26 GLN HE21 H 1 6.988 0.000 . 1 . . . A 162 GLN HE21 . 25081 1 308 . 1 1 26 26 GLN HE22 H 1 6.400 0.000 . 1 . . . A 162 GLN HE22 . 25081 1 309 . 1 1 26 26 GLN C C 13 179.546 0.000 . 1 . . . A 162 GLN C . 25081 1 310 . 1 1 26 26 GLN CA C 13 59.001 0.038 . 1 . . . A 162 GLN CA . 25081 1 311 . 1 1 26 26 GLN CB C 13 28.535 0.017 . 1 . . . A 162 GLN CB . 25081 1 312 . 1 1 26 26 GLN CG C 13 34.167 0.048 . 1 . . . A 162 GLN CG . 25081 1 313 . 1 1 26 26 GLN N N 15 117.113 0.005 . 1 . . . A 162 GLN N . 25081 1 314 . 1 1 26 26 GLN NE2 N 15 109.726 0.001 . 1 . . . A 162 GLN NE2 . 25081 1 315 . 1 1 27 27 LEU H H 1 8.251 0.002 . 1 . . . A 163 LEU H . 25081 1 316 . 1 1 27 27 LEU HA H 1 3.820 0.009 . 1 . . . A 163 LEU HA . 25081 1 317 . 1 1 27 27 LEU HB2 H 1 1.848 0.010 . 2 . . . A 163 LEU HB2 . 25081 1 318 . 1 1 27 27 LEU HB3 H 1 0.898 0.004 . 2 . . . A 163 LEU HB3 . 25081 1 319 . 1 1 27 27 LEU HD11 H 1 0.500 0.007 . 1 . . . A 163 LEU HD11 . 25081 1 320 . 1 1 27 27 LEU HD12 H 1 0.500 0.007 . 1 . . . A 163 LEU HD12 . 25081 1 321 . 1 1 27 27 LEU HD13 H 1 0.500 0.007 . 1 . . . A 163 LEU HD13 . 25081 1 322 . 1 1 27 27 LEU HD21 H 1 0.521 0.007 . 1 . . . A 163 LEU HD21 . 25081 1 323 . 1 1 27 27 LEU HD22 H 1 0.521 0.007 . 1 . . . A 163 LEU HD22 . 25081 1 324 . 1 1 27 27 LEU HD23 H 1 0.521 0.007 . 1 . . . A 163 LEU HD23 . 25081 1 325 . 1 1 27 27 LEU C C 13 179.443 0.000 . 1 . . . A 163 LEU C . 25081 1 326 . 1 1 27 27 LEU CA C 13 57.973 0.038 . 1 . . . A 163 LEU CA . 25081 1 327 . 1 1 27 27 LEU CB C 13 43.303 0.035 . 1 . . . A 163 LEU CB . 25081 1 328 . 1 1 27 27 LEU CD1 C 13 27.405 0.029 . 1 . . . A 163 LEU CD1 . 25081 1 329 . 1 1 27 27 LEU CD2 C 13 23.641 0.018 . 1 . . . A 163 LEU CD2 . 25081 1 330 . 1 1 27 27 LEU N N 15 119.516 0.009 . 1 . . . A 163 LEU N . 25081 1 331 . 1 1 28 28 LEU H H 1 8.065 0.002 . 1 . . . A 164 LEU H . 25081 1 332 . 1 1 28 28 LEU HA H 1 4.204 0.006 . 1 . . . A 164 LEU HA . 25081 1 333 . 1 1 28 28 LEU HB2 H 1 1.624 0.005 . 2 . . . A 164 LEU HB2 . 25081 1 334 . 1 1 28 28 LEU HB3 H 1 1.755 0.000 . 2 . . . A 164 LEU HB3 . 25081 1 335 . 1 1 28 28 LEU HG H 1 1.497 0.002 . 1 . . . A 164 LEU HG . 25081 1 336 . 1 1 28 28 LEU HD11 H 1 0.835 0.009 . 1 . . . A 164 LEU HD11 . 25081 1 337 . 1 1 28 28 LEU HD12 H 1 0.835 0.009 . 1 . . . A 164 LEU HD12 . 25081 1 338 . 1 1 28 28 LEU HD13 H 1 0.835 0.009 . 1 . . . A 164 LEU HD13 . 25081 1 339 . 1 1 28 28 LEU HD21 H 1 0.538 0.007 . 1 . . . A 164 LEU HD21 . 25081 1 340 . 1 1 28 28 LEU HD22 H 1 0.538 0.007 . 1 . . . A 164 LEU HD22 . 25081 1 341 . 1 1 28 28 LEU HD23 H 1 0.538 0.007 . 1 . . . A 164 LEU HD23 . 25081 1 342 . 1 1 28 28 LEU C C 13 175.694 0.000 . 1 . . . A 164 LEU C . 25081 1 343 . 1 1 28 28 LEU CA C 13 55.596 0.046 . 1 . . . A 164 LEU CA . 25081 1 344 . 1 1 28 28 LEU CB C 13 39.922 0.058 . 1 . . . A 164 LEU CB . 25081 1 345 . 1 1 28 28 LEU CG C 13 26.630 0.024 . 1 . . . A 164 LEU CG . 25081 1 346 . 1 1 28 28 LEU CD1 C 13 25.265 0.035 . 1 . . . A 164 LEU CD1 . 25081 1 347 . 1 1 28 28 LEU CD2 C 13 21.695 0.027 . 1 . . . A 164 LEU CD2 . 25081 1 348 . 1 1 28 28 LEU N N 15 117.732 0.017 . 1 . . . A 164 LEU N . 25081 1 349 . 1 1 29 29 SER H H 1 7.044 0.001 . 1 . . . A 165 SER H . 25081 1 350 . 1 1 29 29 SER HA H 1 4.306 0.011 . 1 . . . A 165 SER HA . 25081 1 351 . 1 1 29 29 SER HB2 H 1 3.917 0.007 . 1 . . . A 165 SER HB2 . 25081 1 352 . 1 1 29 29 SER HB3 H 1 3.917 0.007 . 1 . . . A 165 SER HB3 . 25081 1 353 . 1 1 29 29 SER C C 13 173.599 0.000 . 1 . . . A 165 SER C . 25081 1 354 . 1 1 29 29 SER CA C 13 59.789 0.051 . 1 . . . A 165 SER CA . 25081 1 355 . 1 1 29 29 SER CB C 13 64.024 0.066 . 1 . . . A 165 SER CB . 25081 1 356 . 1 1 29 29 SER N N 15 116.327 0.008 . 1 . . . A 165 SER N . 25081 1 357 . 1 1 30 30 PHE H H 1 8.551 0.009 . 1 . . . A 166 PHE H . 25081 1 358 . 1 1 30 30 PHE HA H 1 4.322 0.000 . 1 . . . A 166 PHE HA . 25081 1 359 . 1 1 30 30 PHE HB2 H 1 2.917 0.000 . 2 . . . A 166 PHE HB2 . 25081 1 360 . 1 1 30 30 PHE HB3 H 1 3.194 0.000 . 2 . . . A 166 PHE HB3 . 25081 1 361 . 1 1 30 30 PHE HD1 H 1 7.227 0.006 . 3 . . . A 166 PHE HD1 . 25081 1 362 . 1 1 30 30 PHE HD2 H 1 7.227 0.006 . 3 . . . A 166 PHE HD2 . 25081 1 363 . 1 1 30 30 PHE HE1 H 1 7.341 0.010 . 3 . . . A 166 PHE HE1 . 25081 1 364 . 1 1 30 30 PHE HE2 H 1 7.341 0.010 . 3 . . . A 166 PHE HE2 . 25081 1 365 . 1 1 30 30 PHE HZ H 1 7.291 0.001 . 1 . . . A 166 PHE HZ . 25081 1 366 . 1 1 30 30 PHE C C 13 176.883 0.000 . 1 . . . A 166 PHE C . 25081 1 367 . 1 1 30 30 PHE CA C 13 59.921 0.000 . 1 . . . A 166 PHE CA . 25081 1 368 . 1 1 30 30 PHE CB C 13 39.126 0.018 . 1 . . . A 166 PHE CB . 25081 1 369 . 1 1 30 30 PHE CD1 C 13 131.836 0.000 . 3 . . . A 166 PHE CD1 . 25081 1 370 . 1 1 30 30 PHE CD2 C 13 131.836 0.000 . 3 . . . A 166 PHE CD2 . 25081 1 371 . 1 1 30 30 PHE CE1 C 13 131.716 0.000 . 3 . . . A 166 PHE CE1 . 25081 1 372 . 1 1 30 30 PHE CE2 C 13 131.716 0.000 . 3 . . . A 166 PHE CE2 . 25081 1 373 . 1 1 30 30 PHE CZ C 13 129.918 0.000 . 1 . . . A 166 PHE CZ . 25081 1 374 . 1 1 30 30 PHE N N 15 123.590 0.042 . 1 . . . A 166 PHE N . 25081 1 375 . 1 1 31 31 GLY H H 1 8.274 0.003 . 1 . . . A 167 GLY H . 25081 1 376 . 1 1 31 31 GLY HA2 H 1 3.965 0.002 . 2 . . . A 167 GLY HA2 . 25081 1 377 . 1 1 31 31 GLY HA3 H 1 3.185 0.006 . 2 . . . A 167 GLY HA3 . 25081 1 378 . 1 1 31 31 GLY C C 13 174.067 0.000 . 1 . . . A 167 GLY C . 25081 1 379 . 1 1 31 31 GLY CA C 13 44.712 0.064 . 1 . . . A 167 GLY CA . 25081 1 380 . 1 1 31 31 GLY N N 15 113.780 0.017 . 1 . . . A 167 GLY N . 25081 1 381 . 1 1 32 32 ASN H H 1 6.968 0.002 . 1 . . . A 168 ASN H . 25081 1 382 . 1 1 32 32 ASN HA H 1 5.072 0.010 . 1 . . . A 168 ASN HA . 25081 1 383 . 1 1 32 32 ASN HB2 H 1 3.002 0.006 . 2 . . . A 168 ASN HB2 . 25081 1 384 . 1 1 32 32 ASN HB3 H 1 2.842 0.005 . 2 . . . A 168 ASN HB3 . 25081 1 385 . 1 1 32 32 ASN HD21 H 1 6.817 0.000 . 1 . . . A 168 ASN HD21 . 25081 1 386 . 1 1 32 32 ASN HD22 H 1 6.936 0.000 . 1 . . . A 168 ASN HD22 . 25081 1 387 . 1 1 32 32 ASN CA C 13 50.267 0.018 . 1 . . . A 168 ASN CA . 25081 1 388 . 1 1 32 32 ASN CB C 13 38.625 0.007 . 1 . . . A 168 ASN CB . 25081 1 389 . 1 1 32 32 ASN N N 15 119.981 0.006 . 1 . . . A 168 ASN N . 25081 1 390 . 1 1 32 32 ASN ND2 N 15 113.106 0.000 . 1 . . . A 168 ASN ND2 . 25081 1 391 . 1 1 33 33 PRO HA H 1 4.495 0.007 . 1 . . . A 169 PRO HA . 25081 1 392 . 1 1 33 33 PRO HB2 H 1 2.181 0.003 . 2 . . . A 169 PRO HB2 . 25081 1 393 . 1 1 33 33 PRO HB3 H 1 2.013 0.007 . 2 . . . A 169 PRO HB3 . 25081 1 394 . 1 1 33 33 PRO HG2 H 1 1.940 0.003 . 2 . . . A 169 PRO HG2 . 25081 1 395 . 1 1 33 33 PRO HG3 H 1 1.621 0.000 . 2 . . . A 169 PRO HG3 . 25081 1 396 . 1 1 33 33 PRO HD2 H 1 3.742 0.008 . 2 . . . A 169 PRO HD2 . 25081 1 397 . 1 1 33 33 PRO HD3 H 1 3.883 0.002 . 2 . . . A 169 PRO HD3 . 25081 1 398 . 1 1 33 33 PRO C C 13 177.812 0.000 . 1 . . . A 169 PRO C . 25081 1 399 . 1 1 33 33 PRO CA C 13 61.606 0.046 . 1 . . . A 169 PRO CA . 25081 1 400 . 1 1 33 33 PRO CB C 13 33.212 0.047 . 1 . . . A 169 PRO CB . 25081 1 401 . 1 1 33 33 PRO CG C 13 26.985 0.056 . 1 . . . A 169 PRO CG . 25081 1 402 . 1 1 33 33 PRO CD C 13 51.003 0.053 . 1 . . . A 169 PRO CD . 25081 1 403 . 1 1 34 34 ARG H H 1 8.706 0.002 . 1 . . . A 170 ARG H . 25081 1 404 . 1 1 34 34 ARG HA H 1 3.827 0.003 . 1 . . . A 170 ARG HA . 25081 1 405 . 1 1 34 34 ARG HB2 H 1 1.723 0.001 . 2 . . . A 170 ARG HB2 . 25081 1 406 . 1 1 34 34 ARG HB3 H 1 1.912 0.001 . 2 . . . A 170 ARG HB3 . 25081 1 407 . 1 1 34 34 ARG HG2 H 1 1.813 0.006 . 2 . . . A 170 ARG HG2 . 25081 1 408 . 1 1 34 34 ARG HG3 H 1 2.002 0.010 . 2 . . . A 170 ARG HG3 . 25081 1 409 . 1 1 34 34 ARG HD2 H 1 3.298 0.011 . 2 . . . A 170 ARG HD2 . 25081 1 410 . 1 1 34 34 ARG HD3 H 1 3.214 0.005 . 2 . . . A 170 ARG HD3 . 25081 1 411 . 1 1 34 34 ARG C C 13 176.996 0.000 . 1 . . . A 170 ARG C . 25081 1 412 . 1 1 34 34 ARG CA C 13 58.878 0.075 . 1 . . . A 170 ARG CA . 25081 1 413 . 1 1 34 34 ARG CB C 13 29.917 0.035 . 1 . . . A 170 ARG CB . 25081 1 414 . 1 1 34 34 ARG CG C 13 28.113 0.079 . 1 . . . A 170 ARG CG . 25081 1 415 . 1 1 34 34 ARG CD C 13 44.286 0.061 . 1 . . . A 170 ARG CD . 25081 1 416 . 1 1 34 34 ARG N N 15 123.256 0.013 . 1 . . . A 170 ARG N . 25081 1 417 . 1 1 35 35 GLY H H 1 9.521 0.006 . 1 . . . A 171 GLY H . 25081 1 418 . 1 1 35 35 GLY HA2 H 1 4.528 0.007 . 2 . . . A 171 GLY HA2 . 25081 1 419 . 1 1 35 35 GLY HA3 H 1 3.351 0.005 . 2 . . . A 171 GLY HA3 . 25081 1 420 . 1 1 35 35 GLY C C 13 176.003 0.000 . 1 . . . A 171 GLY C . 25081 1 421 . 1 1 35 35 GLY CA C 13 45.797 0.020 . 1 . . . A 171 GLY CA . 25081 1 422 . 1 1 35 35 GLY N N 15 114.429 0.024 . 1 . . . A 171 GLY N . 25081 1 423 . 1 1 36 36 THR H H 1 7.842 0.002 . 1 . . . A 172 THR H . 25081 1 424 . 1 1 36 36 THR HA H 1 5.278 0.011 . 1 . . . A 172 THR HA . 25081 1 425 . 1 1 36 36 THR HB H 1 3.738 0.008 . 1 . . . A 172 THR HB . 25081 1 426 . 1 1 36 36 THR HG21 H 1 1.106 0.006 . 1 . . . A 172 THR HG21 . 25081 1 427 . 1 1 36 36 THR HG22 H 1 1.106 0.006 . 1 . . . A 172 THR HG22 . 25081 1 428 . 1 1 36 36 THR HG23 H 1 1.106 0.006 . 1 . . . A 172 THR HG23 . 25081 1 429 . 1 1 36 36 THR C C 13 174.172 0.000 . 1 . . . A 172 THR C . 25081 1 430 . 1 1 36 36 THR CA C 13 64.712 0.073 . 1 . . . A 172 THR CA . 25081 1 431 . 1 1 36 36 THR CB C 13 67.854 0.076 . 1 . . . A 172 THR CB . 25081 1 432 . 1 1 36 36 THR CG2 C 13 21.897 0.076 . 1 . . . A 172 THR CG2 . 25081 1 433 . 1 1 36 36 THR N N 15 120.873 0.006 . 1 . . . A 172 THR N . 25081 1 434 . 1 1 37 37 PHE H H 1 8.322 0.003 . 1 . . . A 173 PHE H . 25081 1 435 . 1 1 37 37 PHE HA H 1 6.031 0.008 . 1 . . . A 173 PHE HA . 25081 1 436 . 1 1 37 37 PHE HB2 H 1 2.717 0.010 . 2 . . . A 173 PHE HB2 . 25081 1 437 . 1 1 37 37 PHE HB3 H 1 2.883 0.000 . 2 . . . A 173 PHE HB3 . 25081 1 438 . 1 1 37 37 PHE C C 13 172.323 0.000 . 1 . . . A 173 PHE C . 25081 1 439 . 1 1 37 37 PHE CA C 13 55.355 0.012 . 1 . . . A 173 PHE CA . 25081 1 440 . 1 1 37 37 PHE CB C 13 44.674 0.020 . 1 . . . A 173 PHE CB . 25081 1 441 . 1 1 37 37 PHE N N 15 122.731 0.029 . 1 . . . A 173 PHE N . 25081 1 442 . 1 1 38 38 LEU H H 1 8.963 0.003 . 1 . . . A 174 LEU H . 25081 1 443 . 1 1 38 38 LEU HA H 1 4.789 0.010 . 1 . . . A 174 LEU HA . 25081 1 444 . 1 1 38 38 LEU HB2 H 1 1.501 0.008 . 1 . . . A 174 LEU HB2 . 25081 1 445 . 1 1 38 38 LEU HB3 H 1 1.501 0.008 . 1 . . . A 174 LEU HB3 . 25081 1 446 . 1 1 38 38 LEU HG H 1 1.545 0.011 . 1 . . . A 174 LEU HG . 25081 1 447 . 1 1 38 38 LEU HD11 H 1 0.644 0.005 . 1 . . . A 174 LEU HD11 . 25081 1 448 . 1 1 38 38 LEU HD12 H 1 0.644 0.005 . 1 . . . A 174 LEU HD12 . 25081 1 449 . 1 1 38 38 LEU HD13 H 1 0.644 0.005 . 1 . . . A 174 LEU HD13 . 25081 1 450 . 1 1 38 38 LEU HD21 H 1 -0.055 0.006 . 1 . . . A 174 LEU HD21 . 25081 1 451 . 1 1 38 38 LEU HD22 H 1 -0.055 0.006 . 1 . . . A 174 LEU HD22 . 25081 1 452 . 1 1 38 38 LEU HD23 H 1 -0.055 0.006 . 1 . . . A 174 LEU HD23 . 25081 1 453 . 1 1 38 38 LEU C C 13 174.904 0.000 . 1 . . . A 174 LEU C . 25081 1 454 . 1 1 38 38 LEU CA C 13 54.643 0.011 . 1 . . . A 174 LEU CA . 25081 1 455 . 1 1 38 38 LEU CB C 13 45.523 0.058 . 1 . . . A 174 LEU CB . 25081 1 456 . 1 1 38 38 LEU CG C 13 24.973 0.009 . 1 . . . A 174 LEU CG . 25081 1 457 . 1 1 38 38 LEU CD1 C 13 25.394 0.044 . 1 . . . A 174 LEU CD1 . 25081 1 458 . 1 1 38 38 LEU CD2 C 13 26.410 0.021 . 1 . . . A 174 LEU CD2 . 25081 1 459 . 1 1 38 38 LEU N N 15 114.345 0.010 . 1 . . . A 174 LEU N . 25081 1 460 . 1 1 39 39 ILE H H 1 9.366 0.003 . 1 . . . A 175 ILE H . 25081 1 461 . 1 1 39 39 ILE HA H 1 5.622 0.009 . 1 . . . A 175 ILE HA . 25081 1 462 . 1 1 39 39 ILE HB H 1 2.181 0.004 . 1 . . . A 175 ILE HB . 25081 1 463 . 1 1 39 39 ILE HG12 H 1 1.799 0.007 . 2 . . . A 175 ILE HG12 . 25081 1 464 . 1 1 39 39 ILE HG13 H 1 1.171 0.002 . 2 . . . A 175 ILE HG13 . 25081 1 465 . 1 1 39 39 ILE HG21 H 1 1.161 0.005 . 1 . . . A 175 ILE HG21 . 25081 1 466 . 1 1 39 39 ILE HG22 H 1 1.161 0.005 . 1 . . . A 175 ILE HG22 . 25081 1 467 . 1 1 39 39 ILE HG23 H 1 1.161 0.005 . 1 . . . A 175 ILE HG23 . 25081 1 468 . 1 1 39 39 ILE HD11 H 1 0.544 0.008 . 1 . . . A 175 ILE HD11 . 25081 1 469 . 1 1 39 39 ILE HD12 H 1 0.544 0.008 . 1 . . . A 175 ILE HD12 . 25081 1 470 . 1 1 39 39 ILE HD13 H 1 0.544 0.008 . 1 . . . A 175 ILE HD13 . 25081 1 471 . 1 1 39 39 ILE C C 13 172.685 0.000 . 1 . . . A 175 ILE C . 25081 1 472 . 1 1 39 39 ILE CA C 13 60.470 0.020 . 1 . . . A 175 ILE CA . 25081 1 473 . 1 1 39 39 ILE CB C 13 40.167 0.013 . 1 . . . A 175 ILE CB . 25081 1 474 . 1 1 39 39 ILE CG1 C 13 30.234 0.031 . 1 . . . A 175 ILE CG1 . 25081 1 475 . 1 1 39 39 ILE CG2 C 13 18.378 0.026 . 1 . . . A 175 ILE CG2 . 25081 1 476 . 1 1 39 39 ILE CD1 C 13 13.358 0.040 . 1 . . . A 175 ILE CD1 . 25081 1 477 . 1 1 39 39 ILE N N 15 119.920 0.015 . 1 . . . A 175 ILE N . 25081 1 478 . 1 1 40 40 ARG H H 1 9.102 0.004 . 1 . . . A 176 ARG H . 25081 1 479 . 1 1 40 40 ARG HA H 1 5.195 0.008 . 1 . . . A 176 ARG HA . 25081 1 480 . 1 1 40 40 ARG HB2 H 1 2.392 0.002 . 2 . . . A 176 ARG HB2 . 25081 1 481 . 1 1 40 40 ARG HB3 H 1 1.311 0.005 . 2 . . . A 176 ARG HB3 . 25081 1 482 . 1 1 40 40 ARG HG2 H 1 1.505 0.002 . 1 . . . A 176 ARG HG2 . 25081 1 483 . 1 1 40 40 ARG HG3 H 1 1.505 0.002 . 1 . . . A 176 ARG HG3 . 25081 1 484 . 1 1 40 40 ARG HD2 H 1 2.422 0.004 . 1 . . . A 176 ARG HD2 . 25081 1 485 . 1 1 40 40 ARG HD3 H 1 2.422 0.004 . 1 . . . A 176 ARG HD3 . 25081 1 486 . 1 1 40 40 ARG C C 13 175.314 0.000 . 1 . . . A 176 ARG C . 25081 1 487 . 1 1 40 40 ARG CA C 13 52.515 0.074 . 1 . . . A 176 ARG CA . 25081 1 488 . 1 1 40 40 ARG CB C 13 34.349 0.037 . 1 . . . A 176 ARG CB . 25081 1 489 . 1 1 40 40 ARG CG C 13 26.368 0.036 . 1 . . . A 176 ARG CG . 25081 1 490 . 1 1 40 40 ARG CD C 13 43.206 0.022 . 1 . . . A 176 ARG CD . 25081 1 491 . 1 1 40 40 ARG N N 15 124.071 0.011 . 1 . . . A 176 ARG N . 25081 1 492 . 1 1 41 41 GLU H H 1 8.838 0.002 . 1 . . . A 177 GLU H . 25081 1 493 . 1 1 41 41 GLU HA H 1 4.198 0.008 . 1 . . . A 177 GLU HA . 25081 1 494 . 1 1 41 41 GLU HB2 H 1 1.815 0.002 . 2 . . . A 177 GLU HB2 . 25081 1 495 . 1 1 41 41 GLU HB3 H 1 2.057 0.007 . 2 . . . A 177 GLU HB3 . 25081 1 496 . 1 1 41 41 GLU HG2 H 1 2.292 0.008 . 2 . . . A 177 GLU HG2 . 25081 1 497 . 1 1 41 41 GLU HG3 H 1 2.384 0.004 . 2 . . . A 177 GLU HG3 . 25081 1 498 . 1 1 41 41 GLU C C 13 176.503 0.000 . 1 . . . A 177 GLU C . 25081 1 499 . 1 1 41 41 GLU CA C 13 58.251 0.022 . 1 . . . A 177 GLU CA . 25081 1 500 . 1 1 41 41 GLU CB C 13 30.408 0.056 . 1 . . . A 177 GLU CB . 25081 1 501 . 1 1 41 41 GLU CG C 13 36.881 0.077 . 1 . . . A 177 GLU CG . 25081 1 502 . 1 1 41 41 GLU N N 15 121.893 0.014 . 1 . . . A 177 GLU N . 25081 1 503 . 1 1 42 42 SER H H 1 7.847 0.004 . 1 . . . A 178 SER H . 25081 1 504 . 1 1 42 42 SER HA H 1 4.688 0.001 . 1 . . . A 178 SER HA . 25081 1 505 . 1 1 42 42 SER HB2 H 1 3.400 0.003 . 2 . . . A 178 SER HB2 . 25081 1 506 . 1 1 42 42 SER HB3 H 1 3.866 0.000 . 2 . . . A 178 SER HB3 . 25081 1 507 . 1 1 42 42 SER C C 13 176.500 0.000 . 1 . . . A 178 SER C . 25081 1 508 . 1 1 42 42 SER CA C 13 57.187 0.057 . 1 . . . A 178 SER CA . 25081 1 509 . 1 1 42 42 SER CB C 13 63.865 0.069 . 1 . . . A 178 SER CB . 25081 1 510 . 1 1 42 42 SER N N 15 115.898 0.026 . 1 . . . A 178 SER N . 25081 1 511 . 1 1 43 43 GLU H H 1 10.901 0.003 . 1 . . . A 179 GLU H . 25081 1 512 . 1 1 43 43 GLU HA H 1 4.197 0.004 . 1 . . . A 179 GLU HA . 25081 1 513 . 1 1 43 43 GLU HB2 H 1 2.258 0.001 . 1 . . . A 179 GLU HB2 . 25081 1 514 . 1 1 43 43 GLU HB3 H 1 2.258 0.001 . 1 . . . A 179 GLU HB3 . 25081 1 515 . 1 1 43 43 GLU HG2 H 1 2.307 0.011 . 2 . . . A 179 GLU HG2 . 25081 1 516 . 1 1 43 43 GLU HG3 H 1 2.451 0.008 . 2 . . . A 179 GLU HG3 . 25081 1 517 . 1 1 43 43 GLU C C 13 178.436 0.000 . 1 . . . A 179 GLU C . 25081 1 518 . 1 1 43 43 GLU CA C 13 58.352 0.040 . 1 . . . A 179 GLU CA . 25081 1 519 . 1 1 43 43 GLU CB C 13 31.059 0.024 . 1 . . . A 179 GLU CB . 25081 1 520 . 1 1 43 43 GLU CG C 13 37.712 0.038 . 1 . . . A 179 GLU CG . 25081 1 521 . 1 1 43 43 GLU N N 15 131.171 0.011 . 1 . . . A 179 GLU N . 25081 1 522 . 1 1 44 44 THR H H 1 8.271 0.003 . 1 . . . A 180 THR H . 25081 1 523 . 1 1 44 44 THR HA H 1 4.239 0.008 . 1 . . . A 180 THR HA . 25081 1 524 . 1 1 44 44 THR HB H 1 4.124 0.006 . 1 . . . A 180 THR HB . 25081 1 525 . 1 1 44 44 THR HG21 H 1 1.258 0.007 . 1 . . . A 180 THR HG21 . 25081 1 526 . 1 1 44 44 THR HG22 H 1 1.258 0.007 . 1 . . . A 180 THR HG22 . 25081 1 527 . 1 1 44 44 THR HG23 H 1 1.258 0.007 . 1 . . . A 180 THR HG23 . 25081 1 528 . 1 1 44 44 THR C C 13 175.768 0.000 . 1 . . . A 180 THR C . 25081 1 529 . 1 1 44 44 THR CA C 13 63.440 0.066 . 1 . . . A 180 THR CA . 25081 1 530 . 1 1 44 44 THR CB C 13 70.734 0.067 . 1 . . . A 180 THR CB . 25081 1 531 . 1 1 44 44 THR CG2 C 13 22.472 0.057 . 1 . . . A 180 THR CG2 . 25081 1 532 . 1 1 44 44 THR N N 15 109.814 0.017 . 1 . . . A 180 THR N . 25081 1 533 . 1 1 45 45 THR H H 1 7.822 0.002 . 1 . . . A 181 THR H . 25081 1 534 . 1 1 45 45 THR HA H 1 4.389 0.011 . 1 . . . A 181 THR HA . 25081 1 535 . 1 1 45 45 THR HB H 1 3.659 0.006 . 1 . . . A 181 THR HB . 25081 1 536 . 1 1 45 45 THR HG21 H 1 1.028 0.005 . 1 . . . A 181 THR HG21 . 25081 1 537 . 1 1 45 45 THR HG22 H 1 1.028 0.005 . 1 . . . A 181 THR HG22 . 25081 1 538 . 1 1 45 45 THR HG23 H 1 1.028 0.005 . 1 . . . A 181 THR HG23 . 25081 1 539 . 1 1 45 45 THR C C 13 173.086 0.000 . 1 . . . A 181 THR C . 25081 1 540 . 1 1 45 45 THR CA C 13 61.269 0.047 . 1 . . . A 181 THR CA . 25081 1 541 . 1 1 45 45 THR CB C 13 70.122 0.046 . 1 . . . A 181 THR CB . 25081 1 542 . 1 1 45 45 THR CG2 C 13 22.018 0.028 . 1 . . . A 181 THR CG2 . 25081 1 543 . 1 1 45 45 THR N N 15 119.865 0.017 . 1 . . . A 181 THR N . 25081 1 544 . 1 1 46 46 LYS H H 1 8.541 0.001 . 1 . . . A 182 LYS H . 25081 1 545 . 1 1 46 46 LYS HA H 1 4.115 0.006 . 1 . . . A 182 LYS HA . 25081 1 546 . 1 1 46 46 LYS HB2 H 1 1.723 0.003 . 1 . . . A 182 LYS HB2 . 25081 1 547 . 1 1 46 46 LYS HB3 H 1 1.723 0.003 . 1 . . . A 182 LYS HB3 . 25081 1 548 . 1 1 46 46 LYS HG2 H 1 1.469 0.005 . 2 . . . A 182 LYS HG2 . 25081 1 549 . 1 1 46 46 LYS HG3 H 1 1.384 0.006 . 2 . . . A 182 LYS HG3 . 25081 1 550 . 1 1 46 46 LYS HD2 H 1 1.656 0.006 . 1 . . . A 182 LYS HD2 . 25081 1 551 . 1 1 46 46 LYS HD3 H 1 1.656 0.006 . 1 . . . A 182 LYS HD3 . 25081 1 552 . 1 1 46 46 LYS HE2 H 1 2.976 0.006 . 1 . . . A 182 LYS HE2 . 25081 1 553 . 1 1 46 46 LYS HE3 H 1 2.976 0.006 . 1 . . . A 182 LYS HE3 . 25081 1 554 . 1 1 46 46 LYS C C 13 178.198 0.000 . 1 . . . A 182 LYS C . 25081 1 555 . 1 1 46 46 LYS CA C 13 57.662 0.035 . 1 . . . A 182 LYS CA . 25081 1 556 . 1 1 46 46 LYS CB C 13 31.598 0.049 . 1 . . . A 182 LYS CB . 25081 1 557 . 1 1 46 46 LYS CG C 13 24.732 0.065 . 1 . . . A 182 LYS CG . 25081 1 558 . 1 1 46 46 LYS CD C 13 28.915 0.028 . 1 . . . A 182 LYS CD . 25081 1 559 . 1 1 46 46 LYS CE C 13 42.155 0.065 . 1 . . . A 182 LYS CE . 25081 1 560 . 1 1 46 46 LYS N N 15 128.057 0.012 . 1 . . . A 182 LYS N . 25081 1 561 . 1 1 47 47 GLY H H 1 8.795 0.002 . 1 . . . A 183 GLY H . 25081 1 562 . 1 1 47 47 GLY HA2 H 1 3.630 0.001 . 2 . . . A 183 GLY HA2 . 25081 1 563 . 1 1 47 47 GLY HA3 H 1 4.164 0.006 . 2 . . . A 183 GLY HA3 . 25081 1 564 . 1 1 47 47 GLY C C 13 173.097 0.000 . 1 . . . A 183 GLY C . 25081 1 565 . 1 1 47 47 GLY CA C 13 45.460 0.032 . 1 . . . A 183 GLY CA . 25081 1 566 . 1 1 47 47 GLY N N 15 114.078 0.006 . 1 . . . A 183 GLY N . 25081 1 567 . 1 1 48 48 ALA H H 1 7.564 0.001 . 1 . . . A 184 ALA H . 25081 1 568 . 1 1 48 48 ALA HA H 1 4.915 0.006 . 1 . . . A 184 ALA HA . 25081 1 569 . 1 1 48 48 ALA HB1 H 1 1.383 0.006 . 1 . . . A 184 ALA HB1 . 25081 1 570 . 1 1 48 48 ALA HB2 H 1 1.383 0.006 . 1 . . . A 184 ALA HB2 . 25081 1 571 . 1 1 48 48 ALA HB3 H 1 1.383 0.006 . 1 . . . A 184 ALA HB3 . 25081 1 572 . 1 1 48 48 ALA C C 13 176.073 0.000 . 1 . . . A 184 ALA C . 25081 1 573 . 1 1 48 48 ALA CA C 13 49.746 0.019 . 1 . . . A 184 ALA CA . 25081 1 574 . 1 1 48 48 ALA CB C 13 20.172 0.029 . 1 . . . A 184 ALA CB . 25081 1 575 . 1 1 48 48 ALA N N 15 121.093 0.005 . 1 . . . A 184 ALA N . 25081 1 576 . 1 1 49 49 TYR H H 1 8.936 0.002 . 1 . . . A 185 TYR H . 25081 1 577 . 1 1 49 49 TYR HA H 1 5.180 0.000 . 1 . . . A 185 TYR HA . 25081 1 578 . 1 1 49 49 TYR HB2 H 1 3.193 0.000 . 2 . . . A 185 TYR HB2 . 25081 1 579 . 1 1 49 49 TYR HB3 H 1 2.666 0.000 . 2 . . . A 185 TYR HB3 . 25081 1 580 . 1 1 49 49 TYR HD1 H 1 6.980 0.000 . 3 . . . A 185 TYR HD1 . 25081 1 581 . 1 1 49 49 TYR HD2 H 1 6.980 0.000 . 3 . . . A 185 TYR HD2 . 25081 1 582 . 1 1 49 49 TYR HE1 H 1 7.142 0.014 . 3 . . . A 185 TYR HE1 . 25081 1 583 . 1 1 49 49 TYR HE2 H 1 7.142 0.014 . 3 . . . A 185 TYR HE2 . 25081 1 584 . 1 1 49 49 TYR C C 13 174.304 0.000 . 1 . . . A 185 TYR C . 25081 1 585 . 1 1 49 49 TYR CA C 13 57.031 0.014 . 1 . . . A 185 TYR CA . 25081 1 586 . 1 1 49 49 TYR CB C 13 42.523 0.030 . 1 . . . A 185 TYR CB . 25081 1 587 . 1 1 49 49 TYR CD1 C 13 132.754 0.000 . 3 . . . A 185 TYR CD1 . 25081 1 588 . 1 1 49 49 TYR CD2 C 13 132.754 0.000 . 3 . . . A 185 TYR CD2 . 25081 1 589 . 1 1 49 49 TYR CE1 C 13 118.972 0.000 . 3 . . . A 185 TYR CE1 . 25081 1 590 . 1 1 49 49 TYR CE2 C 13 118.972 0.000 . 3 . . . A 185 TYR CE2 . 25081 1 591 . 1 1 49 49 TYR N N 15 117.702 0.007 . 1 . . . A 185 TYR N . 25081 1 592 . 1 1 50 50 SER H H 1 9.777 0.004 . 1 . . . A 186 SER H . 25081 1 593 . 1 1 50 50 SER HA H 1 5.628 0.007 . 1 . . . A 186 SER HA . 25081 1 594 . 1 1 50 50 SER HB2 H 1 3.622 0.001 . 2 . . . A 186 SER HB2 . 25081 1 595 . 1 1 50 50 SER HB3 H 1 3.860 0.003 . 2 . . . A 186 SER HB3 . 25081 1 596 . 1 1 50 50 SER C C 13 172.810 0.000 . 1 . . . A 186 SER C . 25081 1 597 . 1 1 50 50 SER CA C 13 56.897 0.008 . 1 . . . A 186 SER CA . 25081 1 598 . 1 1 50 50 SER CB C 13 65.317 0.027 . 1 . . . A 186 SER CB . 25081 1 599 . 1 1 50 50 SER N N 15 116.540 0.017 . 1 . . . A 186 SER N . 25081 1 600 . 1 1 51 51 LEU H H 1 9.657 0.004 . 1 . . . A 187 LEU H . 25081 1 601 . 1 1 51 51 LEU HA H 1 5.265 0.007 . 1 . . . A 187 LEU HA . 25081 1 602 . 1 1 51 51 LEU HB2 H 1 1.339 0.004 . 2 . . . A 187 LEU HB2 . 25081 1 603 . 1 1 51 51 LEU HB3 H 1 1.995 0.007 . 2 . . . A 187 LEU HB3 . 25081 1 604 . 1 1 51 51 LEU HG H 1 1.532 0.005 . 1 . . . A 187 LEU HG . 25081 1 605 . 1 1 51 51 LEU HD11 H 1 0.737 0.007 . 1 . . . A 187 LEU HD11 . 25081 1 606 . 1 1 51 51 LEU HD12 H 1 0.737 0.007 . 1 . . . A 187 LEU HD12 . 25081 1 607 . 1 1 51 51 LEU HD13 H 1 0.737 0.007 . 1 . . . A 187 LEU HD13 . 25081 1 608 . 1 1 51 51 LEU HD21 H 1 0.444 0.007 . 1 . . . A 187 LEU HD21 . 25081 1 609 . 1 1 51 51 LEU HD22 H 1 0.444 0.007 . 1 . . . A 187 LEU HD22 . 25081 1 610 . 1 1 51 51 LEU HD23 H 1 0.444 0.007 . 1 . . . A 187 LEU HD23 . 25081 1 611 . 1 1 51 51 LEU C C 13 174.969 0.000 . 1 . . . A 187 LEU C . 25081 1 612 . 1 1 51 51 LEU CA C 13 53.688 0.053 . 1 . . . A 187 LEU CA . 25081 1 613 . 1 1 51 51 LEU CB C 13 43.853 0.036 . 1 . . . A 187 LEU CB . 25081 1 614 . 1 1 51 51 LEU CG C 13 27.747 0.032 . 1 . . . A 187 LEU CG . 25081 1 615 . 1 1 51 51 LEU CD1 C 13 23.921 0.039 . 1 . . . A 187 LEU CD1 . 25081 1 616 . 1 1 51 51 LEU CD2 C 13 27.204 0.053 . 1 . . . A 187 LEU CD2 . 25081 1 617 . 1 1 51 51 LEU N N 15 129.614 0.021 . 1 . . . A 187 LEU N . 25081 1 618 . 1 1 52 52 SER H H 1 9.166 0.003 . 1 . . . A 188 SER H . 25081 1 619 . 1 1 52 52 SER HA H 1 5.325 0.000 . 1 . . . A 188 SER HA . 25081 1 620 . 1 1 52 52 SER HB2 H 1 3.413 0.000 . 1 . . . A 188 SER HB2 . 25081 1 621 . 1 1 52 52 SER HB3 H 1 3.413 0.000 . 1 . . . A 188 SER HB3 . 25081 1 622 . 1 1 52 52 SER C C 13 172.258 0.000 . 1 . . . A 188 SER C . 25081 1 623 . 1 1 52 52 SER CA C 13 58.618 0.025 . 1 . . . A 188 SER CA . 25081 1 624 . 1 1 52 52 SER CB C 13 65.130 0.023 . 1 . . . A 188 SER CB . 25081 1 625 . 1 1 52 52 SER N N 15 126.012 0.021 . 1 . . . A 188 SER N . 25081 1 626 . 1 1 53 53 ILE H H 1 9.047 0.002 . 1 . . . A 189 ILE H . 25081 1 627 . 1 1 53 53 ILE HA H 1 4.813 0.001 . 1 . . . A 189 ILE HA . 25081 1 628 . 1 1 53 53 ILE HB H 1 1.432 0.006 . 1 . . . A 189 ILE HB . 25081 1 629 . 1 1 53 53 ILE HG12 H 1 0.606 0.000 . 2 . . . A 189 ILE HG12 . 25081 1 630 . 1 1 53 53 ILE HG13 H 1 1.534 0.003 . 2 . . . A 189 ILE HG13 . 25081 1 631 . 1 1 53 53 ILE HG21 H 1 0.687 0.007 . 1 . . . A 189 ILE HG21 . 25081 1 632 . 1 1 53 53 ILE HG22 H 1 0.687 0.007 . 1 . . . A 189 ILE HG22 . 25081 1 633 . 1 1 53 53 ILE HG23 H 1 0.687 0.007 . 1 . . . A 189 ILE HG23 . 25081 1 634 . 1 1 53 53 ILE HD11 H 1 0.728 0.007 . 1 . . . A 189 ILE HD11 . 25081 1 635 . 1 1 53 53 ILE HD12 H 1 0.728 0.007 . 1 . . . A 189 ILE HD12 . 25081 1 636 . 1 1 53 53 ILE HD13 H 1 0.728 0.007 . 1 . . . A 189 ILE HD13 . 25081 1 637 . 1 1 53 53 ILE C C 13 174.311 0.000 . 1 . . . A 189 ILE C . 25081 1 638 . 1 1 53 53 ILE CA C 13 59.760 0.021 . 1 . . . A 189 ILE CA . 25081 1 639 . 1 1 53 53 ILE CB C 13 44.034 0.020 . 1 . . . A 189 ILE CB . 25081 1 640 . 1 1 53 53 ILE CG1 C 13 27.377 0.022 . 1 . . . A 189 ILE CG1 . 25081 1 641 . 1 1 53 53 ILE CG2 C 13 16.981 0.033 . 1 . . . A 189 ILE CG2 . 25081 1 642 . 1 1 53 53 ILE CD1 C 13 16.343 0.047 . 1 . . . A 189 ILE CD1 . 25081 1 643 . 1 1 53 53 ILE N N 15 123.475 0.011 . 1 . . . A 189 ILE N . 25081 1 644 . 1 1 54 54 ARG H H 1 9.005 0.001 . 1 . . . A 190 ARG H . 25081 1 645 . 1 1 54 54 ARG HA H 1 4.376 0.012 . 1 . . . A 190 ARG HA . 25081 1 646 . 1 1 54 54 ARG HB2 H 1 2.007 0.004 . 2 . . . A 190 ARG HB2 . 25081 1 647 . 1 1 54 54 ARG HB3 H 1 1.348 0.001 . 2 . . . A 190 ARG HB3 . 25081 1 648 . 1 1 54 54 ARG HG2 H 1 1.646 0.003 . 1 . . . A 190 ARG HG2 . 25081 1 649 . 1 1 54 54 ARG HG3 H 1 1.646 0.003 . 1 . . . A 190 ARG HG3 . 25081 1 650 . 1 1 54 54 ARG HD2 H 1 3.118 0.008 . 1 . . . A 190 ARG HD2 . 25081 1 651 . 1 1 54 54 ARG HD3 H 1 3.118 0.008 . 1 . . . A 190 ARG HD3 . 25081 1 652 . 1 1 54 54 ARG C C 13 172.691 0.000 . 1 . . . A 190 ARG C . 25081 1 653 . 1 1 54 54 ARG CA C 13 56.507 0.077 . 1 . . . A 190 ARG CA . 25081 1 654 . 1 1 54 54 ARG CB C 13 31.700 0.033 . 1 . . . A 190 ARG CB . 25081 1 655 . 1 1 54 54 ARG CG C 13 28.239 0.032 . 1 . . . A 190 ARG CG . 25081 1 656 . 1 1 54 54 ARG CD C 13 43.999 0.040 . 1 . . . A 190 ARG CD . 25081 1 657 . 1 1 54 54 ARG N N 15 127.235 0.016 . 1 . . . A 190 ARG N . 25081 1 658 . 1 1 55 55 ASP H H 1 9.150 0.004 . 1 . . . A 191 ASP H . 25081 1 659 . 1 1 55 55 ASP HA H 1 5.354 0.007 . 1 . . . A 191 ASP HA . 25081 1 660 . 1 1 55 55 ASP HB2 H 1 1.755 0.006 . 2 . . . A 191 ASP HB2 . 25081 1 661 . 1 1 55 55 ASP HB3 H 1 2.301 0.002 . 2 . . . A 191 ASP HB3 . 25081 1 662 . 1 1 55 55 ASP C C 13 174.454 0.000 . 1 . . . A 191 ASP C . 25081 1 663 . 1 1 55 55 ASP CA C 13 51.797 0.013 . 1 . . . A 191 ASP CA . 25081 1 664 . 1 1 55 55 ASP CB C 13 45.171 0.030 . 1 . . . A 191 ASP CB . 25081 1 665 . 1 1 55 55 ASP N N 15 130.124 0.008 . 1 . . . A 191 ASP N . 25081 1 666 . 1 1 56 56 TRP H H 1 8.367 0.002 . 1 . . . A 192 TRP H . 25081 1 667 . 1 1 56 56 TRP HA H 1 4.891 0.000 . 1 . . . A 192 TRP HA . 25081 1 668 . 1 1 56 56 TRP HB2 H 1 2.749 0.000 . 2 . . . A 192 TRP HB2 . 25081 1 669 . 1 1 56 56 TRP HB3 H 1 3.260 0.000 . 2 . . . A 192 TRP HB3 . 25081 1 670 . 1 1 56 56 TRP HD1 H 1 7.384 0.001 . 1 . . . A 192 TRP HD1 . 25081 1 671 . 1 1 56 56 TRP HE1 H 1 10.268 0.001 . 1 . . . A 192 TRP HE1 . 25081 1 672 . 1 1 56 56 TRP HE3 H 1 7.272 0.008 . 1 . . . A 192 TRP HE3 . 25081 1 673 . 1 1 56 56 TRP HZ2 H 1 7.414 0.001 . 1 . . . A 192 TRP HZ2 . 25081 1 674 . 1 1 56 56 TRP HZ3 H 1 7.050 0.007 . 1 . . . A 192 TRP HZ3 . 25081 1 675 . 1 1 56 56 TRP HH2 H 1 7.186 0.000 . 1 . . . A 192 TRP HH2 . 25081 1 676 . 1 1 56 56 TRP C C 13 174.992 0.000 . 1 . . . A 192 TRP C . 25081 1 677 . 1 1 56 56 TRP CA C 13 57.815 0.012 . 1 . . . A 192 TRP CA . 25081 1 678 . 1 1 56 56 TRP CB C 13 33.061 0.032 . 1 . . . A 192 TRP CB . 25081 1 679 . 1 1 56 56 TRP CD1 C 13 127.311 0.000 . 1 . . . A 192 TRP CD1 . 25081 1 680 . 1 1 56 56 TRP CE3 C 13 120.612 0.000 . 1 . . . A 192 TRP CE3 . 25081 1 681 . 1 1 56 56 TRP CZ2 C 13 114.752 0.000 . 1 . . . A 192 TRP CZ2 . 25081 1 682 . 1 1 56 56 TRP CZ3 C 13 122.106 0.000 . 1 . . . A 192 TRP CZ3 . 25081 1 683 . 1 1 56 56 TRP CH2 C 13 124.598 0.000 . 1 . . . A 192 TRP CH2 . 25081 1 684 . 1 1 56 56 TRP N N 15 120.960 0.023 . 1 . . . A 192 TRP N . 25081 1 685 . 1 1 56 56 TRP NE1 N 15 130.411 0.000 . 1 . . . A 192 TRP NE1 . 25081 1 686 . 1 1 57 57 ASP H H 1 6.718 0.001 . 1 . . . A 193 ASP H . 25081 1 687 . 1 1 57 57 ASP HA H 1 3.870 0.007 . 1 . . . A 193 ASP HA . 25081 1 688 . 1 1 57 57 ASP HB2 H 1 2.755 0.007 . 2 . . . A 193 ASP HB2 . 25081 1 689 . 1 1 57 57 ASP HB3 H 1 2.551 0.008 . 2 . . . A 193 ASP HB3 . 25081 1 690 . 1 1 57 57 ASP C C 13 173.852 0.000 . 1 . . . A 193 ASP C . 25081 1 691 . 1 1 57 57 ASP CA C 13 53.519 0.007 . 1 . . . A 193 ASP CA . 25081 1 692 . 1 1 57 57 ASP CB C 13 43.310 0.014 . 1 . . . A 193 ASP CB . 25081 1 693 . 1 1 57 57 ASP N N 15 122.767 0.016 . 1 . . . A 193 ASP N . 25081 1 694 . 1 1 58 58 ASP H H 1 7.862 0.001 . 1 . . . A 194 ASP H . 25081 1 695 . 1 1 58 58 ASP HA H 1 3.850 0.008 . 1 . . . A 194 ASP HA . 25081 1 696 . 1 1 58 58 ASP HB2 H 1 2.665 0.007 . 2 . . . A 194 ASP HB2 . 25081 1 697 . 1 1 58 58 ASP HB3 H 1 2.582 0.003 . 2 . . . A 194 ASP HB3 . 25081 1 698 . 1 1 58 58 ASP C C 13 176.269 0.000 . 1 . . . A 194 ASP C . 25081 1 699 . 1 1 58 58 ASP CA C 13 55.552 0.018 . 1 . . . A 194 ASP CA . 25081 1 700 . 1 1 58 58 ASP CB C 13 40.575 0.038 . 1 . . . A 194 ASP CB . 25081 1 701 . 1 1 58 58 ASP N N 15 115.219 0.004 . 1 . . . A 194 ASP N . 25081 1 702 . 1 1 59 59 MET H H 1 8.164 0.001 . 1 . . . A 195 MET H . 25081 1 703 . 1 1 59 59 MET HA H 1 4.367 0.006 . 1 . . . A 195 MET HA . 25081 1 704 . 1 1 59 59 MET HB2 H 1 1.889 0.005 . 1 . . . A 195 MET HB2 . 25081 1 705 . 1 1 59 59 MET HB3 H 1 1.889 0.005 . 1 . . . A 195 MET HB3 . 25081 1 706 . 1 1 59 59 MET HG2 H 1 2.471 0.008 . 2 . . . A 195 MET HG2 . 25081 1 707 . 1 1 59 59 MET HG3 H 1 2.367 0.010 . 2 . . . A 195 MET HG3 . 25081 1 708 . 1 1 59 59 MET HE1 H 1 1.975 0.002 . 1 . . . A 195 MET HE1 . 25081 1 709 . 1 1 59 59 MET HE2 H 1 1.975 0.002 . 1 . . . A 195 MET HE2 . 25081 1 710 . 1 1 59 59 MET HE3 H 1 1.975 0.002 . 1 . . . A 195 MET HE3 . 25081 1 711 . 1 1 59 59 MET C C 13 177.608 0.000 . 1 . . . A 195 MET C . 25081 1 712 . 1 1 59 59 MET CA C 13 56.737 0.044 . 1 . . . A 195 MET CA . 25081 1 713 . 1 1 59 59 MET CB C 13 33.619 0.024 . 1 . . . A 195 MET CB . 25081 1 714 . 1 1 59 59 MET CG C 13 32.089 0.034 . 1 . . . A 195 MET CG . 25081 1 715 . 1 1 59 59 MET CE C 13 16.934 0.078 . 1 . . . A 195 MET CE . 25081 1 716 . 1 1 59 59 MET N N 15 118.867 0.009 . 1 . . . A 195 MET N . 25081 1 717 . 1 1 60 60 LYS H H 1 9.193 0.002 . 1 . . . A 196 LYS H . 25081 1 718 . 1 1 60 60 LYS HA H 1 4.076 0.005 . 1 . . . A 196 LYS HA . 25081 1 719 . 1 1 60 60 LYS HB2 H 1 1.245 0.006 . 2 . . . A 196 LYS HB2 . 25081 1 720 . 1 1 60 60 LYS HB3 H 1 1.115 0.008 . 2 . . . A 196 LYS HB3 . 25081 1 721 . 1 1 60 60 LYS HG2 H 1 0.933 0.005 . 1 . . . A 196 LYS HG2 . 25081 1 722 . 1 1 60 60 LYS HG3 H 1 0.933 0.005 . 1 . . . A 196 LYS HG3 . 25081 1 723 . 1 1 60 60 LYS HD2 H 1 0.979 0.005 . 2 . . . A 196 LYS HD2 . 25081 1 724 . 1 1 60 60 LYS HD3 H 1 1.113 0.009 . 2 . . . A 196 LYS HD3 . 25081 1 725 . 1 1 60 60 LYS HE2 H 1 2.342 0.005 . 1 . . . A 196 LYS HE2 . 25081 1 726 . 1 1 60 60 LYS HE3 H 1 2.342 0.005 . 1 . . . A 196 LYS HE3 . 25081 1 727 . 1 1 60 60 LYS C C 13 177.446 0.000 . 1 . . . A 196 LYS C . 25081 1 728 . 1 1 60 60 LYS CA C 13 56.146 0.075 . 1 . . . A 196 LYS CA . 25081 1 729 . 1 1 60 60 LYS CB C 13 33.482 0.069 . 1 . . . A 196 LYS CB . 25081 1 730 . 1 1 60 60 LYS CG C 13 24.656 0.063 . 1 . . . A 196 LYS CG . 25081 1 731 . 1 1 60 60 LYS CD C 13 28.552 0.032 . 1 . . . A 196 LYS CD . 25081 1 732 . 1 1 60 60 LYS CE C 13 41.207 0.028 . 1 . . . A 196 LYS CE . 25081 1 733 . 1 1 60 60 LYS N N 15 118.981 0.009 . 1 . . . A 196 LYS N . 25081 1 734 . 1 1 61 61 GLY H H 1 7.456 0.002 . 1 . . . A 197 GLY H . 25081 1 735 . 1 1 61 61 GLY HA2 H 1 3.972 0.006 . 2 . . . A 197 GLY HA2 . 25081 1 736 . 1 1 61 61 GLY HA3 H 1 3.255 0.007 . 2 . . . A 197 GLY HA3 . 25081 1 737 . 1 1 61 61 GLY C C 13 175.457 0.000 . 1 . . . A 197 GLY C . 25081 1 738 . 1 1 61 61 GLY CA C 13 45.187 0.045 . 1 . . . A 197 GLY CA . 25081 1 739 . 1 1 61 61 GLY N N 15 108.873 0.005 . 1 . . . A 197 GLY N . 25081 1 740 . 1 1 62 62 ASP H H 1 8.860 0.001 . 1 . . . A 198 ASP H . 25081 1 741 . 1 1 62 62 ASP HA H 1 5.128 0.008 . 1 . . . A 198 ASP HA . 25081 1 742 . 1 1 62 62 ASP HB2 H 1 2.376 0.002 . 2 . . . A 198 ASP HB2 . 25081 1 743 . 1 1 62 62 ASP HB3 H 1 2.720 0.004 . 2 . . . A 198 ASP HB3 . 25081 1 744 . 1 1 62 62 ASP C C 13 175.202 0.000 . 1 . . . A 198 ASP C . 25081 1 745 . 1 1 62 62 ASP CA C 13 55.502 0.025 . 1 . . . A 198 ASP CA . 25081 1 746 . 1 1 62 62 ASP CB C 13 41.519 0.073 . 1 . . . A 198 ASP CB . 25081 1 747 . 1 1 62 62 ASP N N 15 127.134 0.011 . 1 . . . A 198 ASP N . 25081 1 748 . 1 1 63 63 HIS H H 1 8.507 0.002 . 1 . . . A 199 HIS H . 25081 1 749 . 1 1 63 63 HIS HA H 1 4.730 0.000 . 1 . . . A 199 HIS HA . 25081 1 750 . 1 1 63 63 HIS HB2 H 1 2.962 0.000 . 2 . . . A 199 HIS HB2 . 25081 1 751 . 1 1 63 63 HIS HB3 H 1 3.150 0.000 . 2 . . . A 199 HIS HB3 . 25081 1 752 . 1 1 63 63 HIS HD2 H 1 6.478 0.000 . 1 . . . A 199 HIS HD2 . 25081 1 753 . 1 1 63 63 HIS HE1 H 1 7.031 0.000 . 1 . . . A 199 HIS HE1 . 25081 1 754 . 1 1 63 63 HIS C C 13 171.030 0.000 . 1 . . . A 199 HIS C . 25081 1 755 . 1 1 63 63 HIS CA C 13 55.924 0.020 . 1 . . . A 199 HIS CA . 25081 1 756 . 1 1 63 63 HIS CB C 13 29.531 0.017 . 1 . . . A 199 HIS CB . 25081 1 757 . 1 1 63 63 HIS CD2 C 13 128.233 0.000 . 1 . . . A 199 HIS CD2 . 25081 1 758 . 1 1 63 63 HIS CE1 C 13 137.571 0.000 . 1 . . . A 199 HIS CE1 . 25081 1 759 . 1 1 63 63 HIS N N 15 119.757 0.013 . 1 . . . A 199 HIS N . 25081 1 760 . 1 1 64 64 VAL H H 1 8.705 0.004 . 1 . . . A 200 VAL H . 25081 1 761 . 1 1 64 64 VAL HA H 1 4.785 0.002 . 1 . . . A 200 VAL HA . 25081 1 762 . 1 1 64 64 VAL HB H 1 1.628 0.003 . 1 . . . A 200 VAL HB . 25081 1 763 . 1 1 64 64 VAL HG11 H 1 0.154 0.006 . 1 . . . A 200 VAL HG11 . 25081 1 764 . 1 1 64 64 VAL HG12 H 1 0.154 0.006 . 1 . . . A 200 VAL HG12 . 25081 1 765 . 1 1 64 64 VAL HG13 H 1 0.154 0.006 . 1 . . . A 200 VAL HG13 . 25081 1 766 . 1 1 64 64 VAL HG21 H 1 0.761 0.006 . 1 . . . A 200 VAL HG21 . 25081 1 767 . 1 1 64 64 VAL HG22 H 1 0.761 0.006 . 1 . . . A 200 VAL HG22 . 25081 1 768 . 1 1 64 64 VAL HG23 H 1 0.761 0.006 . 1 . . . A 200 VAL HG23 . 25081 1 769 . 1 1 64 64 VAL C C 13 175.163 0.000 . 1 . . . A 200 VAL C . 25081 1 770 . 1 1 64 64 VAL CA C 13 60.291 0.026 . 1 . . . A 200 VAL CA . 25081 1 771 . 1 1 64 64 VAL CB C 13 34.530 0.063 . 1 . . . A 200 VAL CB . 25081 1 772 . 1 1 64 64 VAL CG1 C 13 22.257 0.049 . 1 . . . A 200 VAL CG1 . 25081 1 773 . 1 1 64 64 VAL CG2 C 13 23.132 0.031 . 1 . . . A 200 VAL CG2 . 25081 1 774 . 1 1 64 64 VAL N N 15 119.858 0.009 . 1 . . . A 200 VAL N . 25081 1 775 . 1 1 65 65 LYS H H 1 8.653 0.003 . 1 . . . A 201 LYS H . 25081 1 776 . 1 1 65 65 LYS HA H 1 4.414 0.003 . 1 . . . A 201 LYS HA . 25081 1 777 . 1 1 65 65 LYS HB2 H 1 1.736 0.005 . 2 . . . A 201 LYS HB2 . 25081 1 778 . 1 1 65 65 LYS HB3 H 1 1.359 0.004 . 2 . . . A 201 LYS HB3 . 25081 1 779 . 1 1 65 65 LYS C C 13 173.985 0.000 . 1 . . . A 201 LYS C . 25081 1 780 . 1 1 65 65 LYS CA C 13 55.461 0.052 . 1 . . . A 201 LYS CA . 25081 1 781 . 1 1 65 65 LYS CB C 13 38.261 0.061 . 1 . . . A 201 LYS CB . 25081 1 782 . 1 1 65 65 LYS CD C 13 30.872 0.075 . 1 . . . A 201 LYS CD . 25081 1 783 . 1 1 65 65 LYS N N 15 125.858 0.011 . 1 . . . A 201 LYS N . 25081 1 784 . 1 1 66 66 HIS H H 1 8.506 0.009 . 1 . . . A 202 HIS H . 25081 1 785 . 1 1 66 66 HIS HA H 1 5.677 0.000 . 1 . . . A 202 HIS HA . 25081 1 786 . 1 1 66 66 HIS HB2 H 1 2.552 0.000 . 2 . . . A 202 HIS HB2 . 25081 1 787 . 1 1 66 66 HIS HB3 H 1 2.744 0.000 . 2 . . . A 202 HIS HB3 . 25081 1 788 . 1 1 66 66 HIS HD2 H 1 6.902 0.003 . 1 . . . A 202 HIS HD2 . 25081 1 789 . 1 1 66 66 HIS HE1 H 1 7.155 0.002 . 1 . . . A 202 HIS HE1 . 25081 1 790 . 1 1 66 66 HIS C C 13 174.457 0.000 . 1 . . . A 202 HIS C . 25081 1 791 . 1 1 66 66 HIS CA C 13 54.413 0.034 . 1 . . . A 202 HIS CA . 25081 1 792 . 1 1 66 66 HIS CB C 13 34.245 0.068 . 1 . . . A 202 HIS CB . 25081 1 793 . 1 1 66 66 HIS CD2 C 13 120.619 0.000 . 1 . . . A 202 HIS CD2 . 25081 1 794 . 1 1 66 66 HIS CE1 C 13 137.519 0.051 . 1 . . . A 202 HIS CE1 . 25081 1 795 . 1 1 66 66 HIS N N 15 118.633 0.025 . 1 . . . A 202 HIS N . 25081 1 796 . 1 1 67 67 TYR H H 1 9.882 0.005 . 1 . . . A 203 TYR H . 25081 1 797 . 1 1 67 67 TYR HA H 1 4.954 0.000 . 1 . . . A 203 TYR HA . 25081 1 798 . 1 1 67 67 TYR HB2 H 1 2.866 0.000 . 1 . . . A 203 TYR HB2 . 25081 1 799 . 1 1 67 67 TYR HB3 H 1 2.866 0.000 . 1 . . . A 203 TYR HB3 . 25081 1 800 . 1 1 67 67 TYR HD1 H 1 6.977 0.001 . 3 . . . A 203 TYR HD1 . 25081 1 801 . 1 1 67 67 TYR HD2 H 1 6.977 0.001 . 3 . . . A 203 TYR HD2 . 25081 1 802 . 1 1 67 67 TYR HE1 H 1 6.755 0.006 . 3 . . . A 203 TYR HE1 . 25081 1 803 . 1 1 67 67 TYR HE2 H 1 6.755 0.006 . 3 . . . A 203 TYR HE2 . 25081 1 804 . 1 1 67 67 TYR C C 13 175.117 0.000 . 1 . . . A 203 TYR C . 25081 1 805 . 1 1 67 67 TYR CA C 13 56.986 0.018 . 1 . . . A 203 TYR CA . 25081 1 806 . 1 1 67 67 TYR CB C 13 41.477 0.071 . 1 . . . A 203 TYR CB . 25081 1 807 . 1 1 67 67 TYR CD1 C 13 133.812 0.000 . 3 . . . A 203 TYR CD1 . 25081 1 808 . 1 1 67 67 TYR CD2 C 13 133.812 0.000 . 3 . . . A 203 TYR CD2 . 25081 1 809 . 1 1 67 67 TYR CE1 C 13 118.470 0.000 . 3 . . . A 203 TYR CE1 . 25081 1 810 . 1 1 67 67 TYR CE2 C 13 118.470 0.000 . 3 . . . A 203 TYR CE2 . 25081 1 811 . 1 1 67 67 TYR N N 15 122.086 0.015 . 1 . . . A 203 TYR N . 25081 1 812 . 1 1 68 68 LYS H H 1 9.643 0.005 . 1 . . . A 204 LYS H . 25081 1 813 . 1 1 68 68 LYS HA H 1 4.538 0.000 . 1 . . . A 204 LYS HA . 25081 1 814 . 1 1 68 68 LYS HB2 H 1 1.141 0.007 . 2 . . . A 204 LYS HB2 . 25081 1 815 . 1 1 68 68 LYS HB3 H 1 1.540 0.008 . 2 . . . A 204 LYS HB3 . 25081 1 816 . 1 1 68 68 LYS HG2 H 1 1.068 0.002 . 1 . . . A 204 LYS HG2 . 25081 1 817 . 1 1 68 68 LYS HG3 H 1 1.068 0.002 . 1 . . . A 204 LYS HG3 . 25081 1 818 . 1 1 68 68 LYS HD2 H 1 1.244 0.005 . 2 . . . A 204 LYS HD2 . 25081 1 819 . 1 1 68 68 LYS HD3 H 1 1.193 0.006 . 2 . . . A 204 LYS HD3 . 25081 1 820 . 1 1 68 68 LYS HE2 H 1 2.543 0.006 . 1 . . . A 204 LYS HE2 . 25081 1 821 . 1 1 68 68 LYS HE3 H 1 2.543 0.006 . 1 . . . A 204 LYS HE3 . 25081 1 822 . 1 1 68 68 LYS C C 13 175.565 0.000 . 1 . . . A 204 LYS C . 25081 1 823 . 1 1 68 68 LYS CA C 13 56.260 0.068 . 1 . . . A 204 LYS CA . 25081 1 824 . 1 1 68 68 LYS CB C 13 32.482 0.052 . 1 . . . A 204 LYS CB . 25081 1 825 . 1 1 68 68 LYS CG C 13 24.700 0.063 . 1 . . . A 204 LYS CG . 25081 1 826 . 1 1 68 68 LYS CD C 13 28.601 0.061 . 1 . . . A 204 LYS CD . 25081 1 827 . 1 1 68 68 LYS CE C 13 41.189 0.023 . 1 . . . A 204 LYS CE . 25081 1 828 . 1 1 68 68 LYS N N 15 125.076 0.041 . 1 . . . A 204 LYS N . 25081 1 829 . 1 1 69 69 ILE H H 1 9.119 0.003 . 1 . . . A 205 ILE H . 25081 1 830 . 1 1 69 69 ILE HA H 1 4.400 0.009 . 1 . . . A 205 ILE HA . 25081 1 831 . 1 1 69 69 ILE HB H 1 1.800 0.003 . 1 . . . A 205 ILE HB . 25081 1 832 . 1 1 69 69 ILE HG12 H 1 0.692 0.011 . 2 . . . A 205 ILE HG12 . 25081 1 833 . 1 1 69 69 ILE HG13 H 1 1.606 0.005 . 2 . . . A 205 ILE HG13 . 25081 1 834 . 1 1 69 69 ILE HG21 H 1 0.914 0.007 . 1 . . . A 205 ILE HG21 . 25081 1 835 . 1 1 69 69 ILE HG22 H 1 0.914 0.007 . 1 . . . A 205 ILE HG22 . 25081 1 836 . 1 1 69 69 ILE HG23 H 1 0.914 0.007 . 1 . . . A 205 ILE HG23 . 25081 1 837 . 1 1 69 69 ILE HD11 H 1 0.766 0.008 . 1 . . . A 205 ILE HD11 . 25081 1 838 . 1 1 69 69 ILE HD12 H 1 0.766 0.008 . 1 . . . A 205 ILE HD12 . 25081 1 839 . 1 1 69 69 ILE HD13 H 1 0.766 0.008 . 1 . . . A 205 ILE HD13 . 25081 1 840 . 1 1 69 69 ILE C C 13 175.288 0.000 . 1 . . . A 205 ILE C . 25081 1 841 . 1 1 69 69 ILE CA C 13 60.355 0.047 . 1 . . . A 205 ILE CA . 25081 1 842 . 1 1 69 69 ILE CB C 13 39.420 0.064 . 1 . . . A 205 ILE CB . 25081 1 843 . 1 1 69 69 ILE CG1 C 13 26.884 0.022 . 1 . . . A 205 ILE CG1 . 25081 1 844 . 1 1 69 69 ILE CG2 C 13 18.565 0.044 . 1 . . . A 205 ILE CG2 . 25081 1 845 . 1 1 69 69 ILE CD1 C 13 15.865 0.063 . 1 . . . A 205 ILE CD1 . 25081 1 846 . 1 1 69 69 ILE N N 15 127.477 0.021 . 1 . . . A 205 ILE N . 25081 1 847 . 1 1 70 70 ARG H H 1 8.165 0.003 . 1 . . . A 206 ARG H . 25081 1 848 . 1 1 70 70 ARG HA H 1 4.619 0.004 . 1 . . . A 206 ARG HA . 25081 1 849 . 1 1 70 70 ARG HB2 H 1 1.546 0.009 . 2 . . . A 206 ARG HB2 . 25081 1 850 . 1 1 70 70 ARG HB3 H 1 0.715 0.010 . 2 . . . A 206 ARG HB3 . 25081 1 851 . 1 1 70 70 ARG HG2 H 1 1.361 0.002 . 1 . . . A 206 ARG HG2 . 25081 1 852 . 1 1 70 70 ARG HG3 H 1 1.361 0.002 . 1 . . . A 206 ARG HG3 . 25081 1 853 . 1 1 70 70 ARG HD2 H 1 3.021 0.001 . 2 . . . A 206 ARG HD2 . 25081 1 854 . 1 1 70 70 ARG HD3 H 1 3.082 0.004 . 2 . . . A 206 ARG HD3 . 25081 1 855 . 1 1 70 70 ARG C C 13 173.595 0.000 . 1 . . . A 206 ARG C . 25081 1 856 . 1 1 70 70 ARG CA C 13 54.119 0.054 . 1 . . . A 206 ARG CA . 25081 1 857 . 1 1 70 70 ARG CB C 13 33.001 0.035 . 1 . . . A 206 ARG CB . 25081 1 858 . 1 1 70 70 ARG CG C 13 28.477 0.063 . 1 . . . A 206 ARG CG . 25081 1 859 . 1 1 70 70 ARG CD C 13 43.306 0.044 . 1 . . . A 206 ARG CD . 25081 1 860 . 1 1 70 70 ARG N N 15 126.517 0.012 . 1 . . . A 206 ARG N . 25081 1 861 . 1 1 71 71 LYS H H 1 8.464 0.002 . 1 . . . A 207 LYS H . 25081 1 862 . 1 1 71 71 LYS HA H 1 4.922 0.009 . 1 . . . A 207 LYS HA . 25081 1 863 . 1 1 71 71 LYS HB2 H 1 1.477 0.009 . 2 . . . A 207 LYS HB2 . 25081 1 864 . 1 1 71 71 LYS HB3 H 1 1.730 0.004 . 2 . . . A 207 LYS HB3 . 25081 1 865 . 1 1 71 71 LYS HG2 H 1 0.769 0.002 . 2 . . . A 207 LYS HG2 . 25081 1 866 . 1 1 71 71 LYS HG3 H 1 1.180 0.005 . 2 . . . A 207 LYS HG3 . 25081 1 867 . 1 1 71 71 LYS HD2 H 1 0.945 0.001 . 2 . . . A 207 LYS HD2 . 25081 1 868 . 1 1 71 71 LYS HD3 H 1 1.348 0.004 . 2 . . . A 207 LYS HD3 . 25081 1 869 . 1 1 71 71 LYS HE2 H 1 2.810 0.008 . 2 . . . A 207 LYS HE2 . 25081 1 870 . 1 1 71 71 LYS HE3 H 1 2.892 0.007 . 2 . . . A 207 LYS HE3 . 25081 1 871 . 1 1 71 71 LYS C C 13 177.308 0.000 . 1 . . . A 207 LYS C . 25081 1 872 . 1 1 71 71 LYS CA C 13 54.149 0.032 . 1 . . . A 207 LYS CA . 25081 1 873 . 1 1 71 71 LYS CB C 13 35.274 0.038 . 1 . . . A 207 LYS CB . 25081 1 874 . 1 1 71 71 LYS CG C 13 24.601 0.078 . 1 . . . A 207 LYS CG . 25081 1 875 . 1 1 71 71 LYS CD C 13 28.305 0.043 . 1 . . . A 207 LYS CD . 25081 1 876 . 1 1 71 71 LYS CE C 13 42.805 0.064 . 1 . . . A 207 LYS CE . 25081 1 877 . 1 1 71 71 LYS N N 15 119.528 0.010 . 1 . . . A 207 LYS N . 25081 1 878 . 1 1 72 72 LEU H H 1 8.645 0.002 . 1 . . . A 208 LEU H . 25081 1 879 . 1 1 72 72 LEU HA H 1 4.435 0.008 . 1 . . . A 208 LEU HA . 25081 1 880 . 1 1 72 72 LEU HB2 H 1 1.477 0.007 . 1 . . . A 208 LEU HB2 . 25081 1 881 . 1 1 72 72 LEU HB3 H 1 1.477 0.007 . 1 . . . A 208 LEU HB3 . 25081 1 882 . 1 1 72 72 LEU HG H 1 1.641 0.003 . 1 . . . A 208 LEU HG . 25081 1 883 . 1 1 72 72 LEU HD11 H 1 0.693 0.007 . 1 . . . A 208 LEU HD11 . 25081 1 884 . 1 1 72 72 LEU HD12 H 1 0.693 0.007 . 1 . . . A 208 LEU HD12 . 25081 1 885 . 1 1 72 72 LEU HD13 H 1 0.693 0.007 . 1 . . . A 208 LEU HD13 . 25081 1 886 . 1 1 72 72 LEU HD21 H 1 0.728 0.004 . 1 . . . A 208 LEU HD21 . 25081 1 887 . 1 1 72 72 LEU HD22 H 1 0.728 0.004 . 1 . . . A 208 LEU HD22 . 25081 1 888 . 1 1 72 72 LEU HD23 H 1 0.728 0.004 . 1 . . . A 208 LEU HD23 . 25081 1 889 . 1 1 72 72 LEU C C 13 178.250 0.000 . 1 . . . A 208 LEU C . 25081 1 890 . 1 1 72 72 LEU CA C 13 54.456 0.045 . 1 . . . A 208 LEU CA . 25081 1 891 . 1 1 72 72 LEU CB C 13 43.001 0.046 . 1 . . . A 208 LEU CB . 25081 1 892 . 1 1 72 72 LEU CG C 13 26.904 0.014 . 1 . . . A 208 LEU CG . 25081 1 893 . 1 1 72 72 LEU CD1 C 13 24.971 0.033 . 1 . . . A 208 LEU CD1 . 25081 1 894 . 1 1 72 72 LEU CD2 C 13 23.750 0.024 . 1 . . . A 208 LEU CD2 . 25081 1 895 . 1 1 72 72 LEU N N 15 129.722 0.009 . 1 . . . A 208 LEU N . 25081 1 896 . 1 1 73 73 ASP H H 1 8.824 0.002 . 1 . . . A 209 ASP H . 25081 1 897 . 1 1 73 73 ASP HA H 1 4.272 0.009 . 1 . . . A 209 ASP HA . 25081 1 898 . 1 1 73 73 ASP HB2 H 1 2.579 0.004 . 1 . . . A 209 ASP HB2 . 25081 1 899 . 1 1 73 73 ASP HB3 H 1 2.579 0.004 . 1 . . . A 209 ASP HB3 . 25081 1 900 . 1 1 73 73 ASP C C 13 176.929 0.000 . 1 . . . A 209 ASP C . 25081 1 901 . 1 1 73 73 ASP CA C 13 56.874 0.007 . 1 . . . A 209 ASP CA . 25081 1 902 . 1 1 73 73 ASP CB C 13 40.172 0.020 . 1 . . . A 209 ASP CB . 25081 1 903 . 1 1 73 73 ASP N N 15 124.604 0.006 . 1 . . . A 209 ASP N . 25081 1 904 . 1 1 74 74 ASN H H 1 8.341 0.002 . 1 . . . A 210 ASN H . 25081 1 905 . 1 1 74 74 ASN HA H 1 4.643 0.005 . 1 . . . A 210 ASN HA . 25081 1 906 . 1 1 74 74 ASN HB2 H 1 2.842 0.003 . 1 . . . A 210 ASN HB2 . 25081 1 907 . 1 1 74 74 ASN HB3 H 1 2.842 0.003 . 1 . . . A 210 ASN HB3 . 25081 1 908 . 1 1 74 74 ASN HD21 H 1 7.515 0.000 . 1 . . . A 210 ASN HD21 . 25081 1 909 . 1 1 74 74 ASN HD22 H 1 6.830 0.000 . 1 . . . A 210 ASN HD22 . 25081 1 910 . 1 1 74 74 ASN C C 13 174.877 0.000 . 1 . . . A 210 ASN C . 25081 1 911 . 1 1 74 74 ASN CA C 13 52.879 0.003 . 1 . . . A 210 ASN CA . 25081 1 912 . 1 1 74 74 ASN CB C 13 37.939 0.006 . 1 . . . A 210 ASN CB . 25081 1 913 . 1 1 74 74 ASN N N 15 116.327 0.007 . 1 . . . A 210 ASN N . 25081 1 914 . 1 1 74 74 ASN ND2 N 15 112.294 0.055 . 1 . . . A 210 ASN ND2 . 25081 1 915 . 1 1 75 75 GLY H H 1 7.485 0.001 . 1 . . . A 211 GLY H . 25081 1 916 . 1 1 75 75 GLY HA2 H 1 4.043 0.001 . 2 . . . A 211 GLY HA2 . 25081 1 917 . 1 1 75 75 GLY HA3 H 1 3.843 0.001 . 2 . . . A 211 GLY HA3 . 25081 1 918 . 1 1 75 75 GLY C C 13 172.971 0.000 . 1 . . . A 211 GLY C . 25081 1 919 . 1 1 75 75 GLY CA C 13 45.442 0.033 . 1 . . . A 211 GLY CA . 25081 1 920 . 1 1 75 75 GLY N N 15 107.738 0.007 . 1 . . . A 211 GLY N . 25081 1 921 . 1 1 76 76 GLY H H 1 8.177 0.001 . 1 . . . A 212 GLY H . 25081 1 922 . 1 1 76 76 GLY HA2 H 1 3.792 0.007 . 2 . . . A 212 GLY HA2 . 25081 1 923 . 1 1 76 76 GLY HA3 H 1 4.327 0.005 . 2 . . . A 212 GLY HA3 . 25081 1 924 . 1 1 76 76 GLY C C 13 173.174 0.000 . 1 . . . A 212 GLY C . 25081 1 925 . 1 1 76 76 GLY CA C 13 44.363 0.023 . 1 . . . A 212 GLY CA . 25081 1 926 . 1 1 76 76 GLY N N 15 109.568 0.004 . 1 . . . A 212 GLY N . 25081 1 927 . 1 1 77 77 TYR H H 1 9.351 0.003 . 1 . . . A 213 TYR H . 25081 1 928 . 1 1 77 77 TYR HA H 1 5.575 0.000 . 1 . . . A 213 TYR HA . 25081 1 929 . 1 1 77 77 TYR HB2 H 1 2.679 0.000 . 2 . . . A 213 TYR HB2 . 25081 1 930 . 1 1 77 77 TYR HB3 H 1 2.781 0.000 . 2 . . . A 213 TYR HB3 . 25081 1 931 . 1 1 77 77 TYR HD1 H 1 6.899 0.009 . 3 . . . A 213 TYR HD1 . 25081 1 932 . 1 1 77 77 TYR HD2 H 1 6.899 0.009 . 3 . . . A 213 TYR HD2 . 25081 1 933 . 1 1 77 77 TYR HE1 H 1 6.927 0.005 . 3 . . . A 213 TYR HE1 . 25081 1 934 . 1 1 77 77 TYR HE2 H 1 6.927 0.005 . 3 . . . A 213 TYR HE2 . 25081 1 935 . 1 1 77 77 TYR C C 13 177.165 0.000 . 1 . . . A 213 TYR C . 25081 1 936 . 1 1 77 77 TYR CA C 13 57.685 0.001 . 1 . . . A 213 TYR CA . 25081 1 937 . 1 1 77 77 TYR CB C 13 41.612 0.053 . 1 . . . A 213 TYR CB . 25081 1 938 . 1 1 77 77 TYR CD1 C 13 133.178 0.000 . 3 . . . A 213 TYR CD1 . 25081 1 939 . 1 1 77 77 TYR CD2 C 13 133.178 0.000 . 3 . . . A 213 TYR CD2 . 25081 1 940 . 1 1 77 77 TYR CE1 C 13 118.383 0.000 . 3 . . . A 213 TYR CE1 . 25081 1 941 . 1 1 77 77 TYR CE2 C 13 118.383 0.000 . 3 . . . A 213 TYR CE2 . 25081 1 942 . 1 1 77 77 TYR N N 15 117.910 0.009 . 1 . . . A 213 TYR N . 25081 1 943 . 1 1 78 78 TYR H H 1 9.170 0.003 . 1 . . . A 214 TYR H . 25081 1 944 . 1 1 78 78 TYR HA H 1 5.245 0.000 . 1 . . . A 214 TYR HA . 25081 1 945 . 1 1 78 78 TYR HB2 H 1 3.358 0.000 . 2 . . . A 214 TYR HB2 . 25081 1 946 . 1 1 78 78 TYR HB3 H 1 2.841 0.000 . 2 . . . A 214 TYR HB3 . 25081 1 947 . 1 1 78 78 TYR HD1 H 1 6.643 0.010 . 3 . . . A 214 TYR HD1 . 25081 1 948 . 1 1 78 78 TYR HD2 H 1 6.643 0.010 . 3 . . . A 214 TYR HD2 . 25081 1 949 . 1 1 78 78 TYR HE1 H 1 6.476 0.003 . 3 . . . A 214 TYR HE1 . 25081 1 950 . 1 1 78 78 TYR HE2 H 1 6.476 0.003 . 3 . . . A 214 TYR HE2 . 25081 1 951 . 1 1 78 78 TYR C C 13 172.594 0.000 . 1 . . . A 214 TYR C . 25081 1 952 . 1 1 78 78 TYR CA C 13 57.892 0.031 . 1 . . . A 214 TYR CA . 25081 1 953 . 1 1 78 78 TYR CB C 13 41.156 0.066 . 1 . . . A 214 TYR CB . 25081 1 954 . 1 1 78 78 TYR CD1 C 13 133.566 0.000 . 3 . . . A 214 TYR CD1 . 25081 1 955 . 1 1 78 78 TYR CD2 C 13 133.566 0.000 . 3 . . . A 214 TYR CD2 . 25081 1 956 . 1 1 78 78 TYR CE1 C 13 118.031 0.000 . 3 . . . A 214 TYR CE1 . 25081 1 957 . 1 1 78 78 TYR CE2 C 13 118.031 0.000 . 3 . . . A 214 TYR CE2 . 25081 1 958 . 1 1 78 78 TYR N N 15 116.298 0.015 . 1 . . . A 214 TYR N . 25081 1 959 . 1 1 79 79 ILE H H 1 9.794 0.009 . 1 . . . A 215 ILE H . 25081 1 960 . 1 1 79 79 ILE HA H 1 4.463 0.004 . 1 . . . A 215 ILE HA . 25081 1 961 . 1 1 79 79 ILE HB H 1 1.682 0.002 . 1 . . . A 215 ILE HB . 25081 1 962 . 1 1 79 79 ILE HG12 H 1 1.626 0.002 . 2 . . . A 215 ILE HG12 . 25081 1 963 . 1 1 79 79 ILE HG13 H 1 0.908 0.000 . 2 . . . A 215 ILE HG13 . 25081 1 964 . 1 1 79 79 ILE HG21 H 1 1.013 0.007 . 1 . . . A 215 ILE HG21 . 25081 1 965 . 1 1 79 79 ILE HG22 H 1 1.013 0.007 . 1 . . . A 215 ILE HG22 . 25081 1 966 . 1 1 79 79 ILE HG23 H 1 1.013 0.007 . 1 . . . A 215 ILE HG23 . 25081 1 967 . 1 1 79 79 ILE HD11 H 1 0.372 0.007 . 1 . . . A 215 ILE HD11 . 25081 1 968 . 1 1 79 79 ILE HD12 H 1 0.372 0.007 . 1 . . . A 215 ILE HD12 . 25081 1 969 . 1 1 79 79 ILE HD13 H 1 0.372 0.007 . 1 . . . A 215 ILE HD13 . 25081 1 970 . 1 1 79 79 ILE C C 13 176.853 0.000 . 1 . . . A 215 ILE C . 25081 1 971 . 1 1 79 79 ILE CA C 13 63.389 0.052 . 1 . . . A 215 ILE CA . 25081 1 972 . 1 1 79 79 ILE CB C 13 40.382 0.057 . 1 . . . A 215 ILE CB . 25081 1 973 . 1 1 79 79 ILE CG1 C 13 29.407 0.041 . 1 . . . A 215 ILE CG1 . 25081 1 974 . 1 1 79 79 ILE CG2 C 13 17.635 0.044 . 1 . . . A 215 ILE CG2 . 25081 1 975 . 1 1 79 79 ILE CD1 C 13 14.345 0.053 . 1 . . . A 215 ILE CD1 . 25081 1 976 . 1 1 79 79 ILE N N 15 120.631 0.021 . 1 . . . A 215 ILE N . 25081 1 977 . 1 1 80 80 THR H H 1 8.851 0.004 . 1 . . . A 216 THR H . 25081 1 978 . 1 1 80 80 THR HA H 1 5.135 0.006 . 1 . . . A 216 THR HA . 25081 1 979 . 1 1 80 80 THR HB H 1 4.582 0.009 . 1 . . . A 216 THR HB . 25081 1 980 . 1 1 80 80 THR HG21 H 1 1.408 0.010 . 1 . . . A 216 THR HG21 . 25081 1 981 . 1 1 80 80 THR HG22 H 1 1.408 0.010 . 1 . . . A 216 THR HG22 . 25081 1 982 . 1 1 80 80 THR HG23 H 1 1.408 0.010 . 1 . . . A 216 THR HG23 . 25081 1 983 . 1 1 80 80 THR CA C 13 58.086 0.078 . 1 . . . A 216 THR CA . 25081 1 984 . 1 1 80 80 THR CB C 13 69.977 0.048 . 1 . . . A 216 THR CB . 25081 1 985 . 1 1 80 80 THR CG2 C 13 20.904 0.041 . 1 . . . A 216 THR CG2 . 25081 1 986 . 1 1 80 80 THR N N 15 114.647 0.024 . 1 . . . A 216 THR N . 25081 1 987 . 1 1 81 81 THR HA H 1 3.337 0.007 . 1 . . . A 217 THR HA . 25081 1 988 . 1 1 81 81 THR HB H 1 4.037 0.008 . 1 . . . A 217 THR HB . 25081 1 989 . 1 1 81 81 THR HG21 H 1 0.950 0.006 . 1 . . . A 217 THR HG21 . 25081 1 990 . 1 1 81 81 THR HG22 H 1 0.950 0.006 . 1 . . . A 217 THR HG22 . 25081 1 991 . 1 1 81 81 THR HG23 H 1 0.950 0.006 . 1 . . . A 217 THR HG23 . 25081 1 992 . 1 1 81 81 THR C C 13 175.574 0.000 . 1 . . . A 217 THR C . 25081 1 993 . 1 1 81 81 THR CA C 13 64.861 0.018 . 1 . . . A 217 THR CA . 25081 1 994 . 1 1 81 81 THR CB C 13 68.837 0.076 . 1 . . . A 217 THR CB . 25081 1 995 . 1 1 81 81 THR CG2 C 13 22.126 0.076 . 1 . . . A 217 THR CG2 . 25081 1 996 . 1 1 82 82 ARG H H 1 7.845 0.002 . 1 . . . A 218 ARG H . 25081 1 997 . 1 1 82 82 ARG HA H 1 4.099 0.005 . 1 . . . A 218 ARG HA . 25081 1 998 . 1 1 82 82 ARG HB2 H 1 1.938 0.001 . 2 . . . A 218 ARG HB2 . 25081 1 999 . 1 1 82 82 ARG HB3 H 1 1.723 0.003 . 2 . . . A 218 ARG HB3 . 25081 1 1000 . 1 1 82 82 ARG HG2 H 1 1.641 0.001 . 1 . . . A 218 ARG HG2 . 25081 1 1001 . 1 1 82 82 ARG HG3 H 1 1.641 0.001 . 1 . . . A 218 ARG HG3 . 25081 1 1002 . 1 1 82 82 ARG HD2 H 1 3.226 0.002 . 1 . . . A 218 ARG HD2 . 25081 1 1003 . 1 1 82 82 ARG HD3 H 1 3.226 0.002 . 1 . . . A 218 ARG HD3 . 25081 1 1004 . 1 1 82 82 ARG C C 13 175.508 0.000 . 1 . . . A 218 ARG C . 25081 1 1005 . 1 1 82 82 ARG CA C 13 57.080 0.053 . 1 . . . A 218 ARG CA . 25081 1 1006 . 1 1 82 82 ARG CB C 13 30.414 0.022 . 1 . . . A 218 ARG CB . 25081 1 1007 . 1 1 82 82 ARG CG C 13 27.541 0.028 . 1 . . . A 218 ARG CG . 25081 1 1008 . 1 1 82 82 ARG CD C 13 43.219 0.009 . 1 . . . A 218 ARG CD . 25081 1 1009 . 1 1 82 82 ARG N N 15 118.089 0.017 . 1 . . . A 218 ARG N . 25081 1 1010 . 1 1 83 83 ALA H H 1 7.795 0.003 . 1 . . . A 219 ALA H . 25081 1 1011 . 1 1 83 83 ALA HA H 1 4.329 0.011 . 1 . . . A 219 ALA HA . 25081 1 1012 . 1 1 83 83 ALA HB1 H 1 1.058 0.005 . 1 . . . A 219 ALA HB1 . 25081 1 1013 . 1 1 83 83 ALA HB2 H 1 1.058 0.005 . 1 . . . A 219 ALA HB2 . 25081 1 1014 . 1 1 83 83 ALA HB3 H 1 1.058 0.005 . 1 . . . A 219 ALA HB3 . 25081 1 1015 . 1 1 83 83 ALA C C 13 172.715 0.000 . 1 . . . A 219 ALA C . 25081 1 1016 . 1 1 83 83 ALA CA C 13 51.826 0.005 . 1 . . . A 219 ALA CA . 25081 1 1017 . 1 1 83 83 ALA CB C 13 19.726 0.046 . 1 . . . A 219 ALA CB . 25081 1 1018 . 1 1 83 83 ALA N N 15 124.301 0.015 . 1 . . . A 219 ALA N . 25081 1 1019 . 1 1 84 84 GLN H H 1 7.785 0.002 . 1 . . . A 220 GLN H . 25081 1 1020 . 1 1 84 84 GLN HA H 1 5.053 0.011 . 1 . . . A 220 GLN HA . 25081 1 1021 . 1 1 84 84 GLN HB2 H 1 1.598 0.005 . 2 . . . A 220 GLN HB2 . 25081 1 1022 . 1 1 84 84 GLN HB3 H 1 1.691 0.005 . 2 . . . A 220 GLN HB3 . 25081 1 1023 . 1 1 84 84 GLN HG2 H 1 1.875 0.008 . 2 . . . A 220 GLN HG2 . 25081 1 1024 . 1 1 84 84 GLN HG3 H 1 2.012 0.005 . 2 . . . A 220 GLN HG3 . 25081 1 1025 . 1 1 84 84 GLN HE21 H 1 7.349 0.000 . 1 . . . A 220 GLN HE21 . 25081 1 1026 . 1 1 84 84 GLN HE22 H 1 6.509 0.000 . 1 . . . A 220 GLN HE22 . 25081 1 1027 . 1 1 84 84 GLN C C 13 175.431 0.000 . 1 . . . A 220 GLN C . 25081 1 1028 . 1 1 84 84 GLN CA C 13 53.347 0.019 . 1 . . . A 220 GLN CA . 25081 1 1029 . 1 1 84 84 GLN CB C 13 31.406 0.040 . 1 . . . A 220 GLN CB . 25081 1 1030 . 1 1 84 84 GLN CG C 13 33.260 0.062 . 1 . . . A 220 GLN CG . 25081 1 1031 . 1 1 84 84 GLN N N 15 119.702 0.008 . 1 . . . A 220 GLN N . 25081 1 1032 . 1 1 84 84 GLN NE2 N 15 110.780 0.002 . 1 . . . A 220 GLN NE2 . 25081 1 1033 . 1 1 85 85 PHE H H 1 9.237 0.002 . 1 . . . A 221 PHE H . 25081 1 1034 . 1 1 85 85 PHE HA H 1 4.890 0.000 . 1 . . . A 221 PHE HA . 25081 1 1035 . 1 1 85 85 PHE HB2 H 1 3.371 0.000 . 2 . . . A 221 PHE HB2 . 25081 1 1036 . 1 1 85 85 PHE HB3 H 1 2.614 0.000 . 2 . . . A 221 PHE HB3 . 25081 1 1037 . 1 1 85 85 PHE HD1 H 1 7.190 0.008 . 3 . . . A 221 PHE HD1 . 25081 1 1038 . 1 1 85 85 PHE HD2 H 1 7.190 0.008 . 3 . . . A 221 PHE HD2 . 25081 1 1039 . 1 1 85 85 PHE HE1 H 1 6.975 0.000 . 3 . . . A 221 PHE HE1 . 25081 1 1040 . 1 1 85 85 PHE HE2 H 1 6.975 0.000 . 3 . . . A 221 PHE HE2 . 25081 1 1041 . 1 1 85 85 PHE HZ H 1 5.767 0.000 . 1 . . . A 221 PHE HZ . 25081 1 1042 . 1 1 85 85 PHE C C 13 175.854 0.000 . 1 . . . A 221 PHE C . 25081 1 1043 . 1 1 85 85 PHE CA C 13 57.106 0.004 . 1 . . . A 221 PHE CA . 25081 1 1044 . 1 1 85 85 PHE CB C 13 44.030 0.043 . 1 . . . A 221 PHE CB . 25081 1 1045 . 1 1 85 85 PHE CD1 C 13 132.585 0.000 . 3 . . . A 221 PHE CD1 . 25081 1 1046 . 1 1 85 85 PHE CD2 C 13 132.585 0.000 . 3 . . . A 221 PHE CD2 . 25081 1 1047 . 1 1 85 85 PHE CE1 C 13 131.387 0.000 . 3 . . . A 221 PHE CE1 . 25081 1 1048 . 1 1 85 85 PHE CE2 C 13 131.387 0.000 . 3 . . . A 221 PHE CE2 . 25081 1 1049 . 1 1 85 85 PHE CZ C 13 128.754 0.000 . 1 . . . A 221 PHE CZ . 25081 1 1050 . 1 1 85 85 PHE N N 15 118.122 0.012 . 1 . . . A 221 PHE N . 25081 1 1051 . 1 1 86 86 GLU H H 1 9.104 0.002 . 1 . . . A 222 GLU H . 25081 1 1052 . 1 1 86 86 GLU HA H 1 4.221 0.007 . 1 . . . A 222 GLU HA . 25081 1 1053 . 1 1 86 86 GLU HB2 H 1 2.267 0.008 . 1 . . . A 222 GLU HB2 . 25081 1 1054 . 1 1 86 86 GLU HB3 H 1 2.267 0.008 . 1 . . . A 222 GLU HB3 . 25081 1 1055 . 1 1 86 86 GLU HG2 H 1 2.369 0.009 . 2 . . . A 222 GLU HG2 . 25081 1 1056 . 1 1 86 86 GLU HG3 H 1 2.478 0.008 . 2 . . . A 222 GLU HG3 . 25081 1 1057 . 1 1 86 86 GLU C C 13 176.880 0.000 . 1 . . . A 222 GLU C . 25081 1 1058 . 1 1 86 86 GLU CA C 13 59.536 0.037 . 1 . . . A 222 GLU CA . 25081 1 1059 . 1 1 86 86 GLU CB C 13 30.727 0.054 . 1 . . . A 222 GLU CB . 25081 1 1060 . 1 1 86 86 GLU CG C 13 36.895 0.021 . 1 . . . A 222 GLU CG . 25081 1 1061 . 1 1 86 86 GLU N N 15 122.100 0.011 . 1 . . . A 222 GLU N . 25081 1 1062 . 1 1 87 87 THR H H 1 7.345 0.002 . 1 . . . A 223 THR H . 25081 1 1063 . 1 1 87 87 THR HA H 1 4.924 0.006 . 1 . . . A 223 THR HA . 25081 1 1064 . 1 1 87 87 THR HB H 1 4.652 0.012 . 1 . . . A 223 THR HB . 25081 1 1065 . 1 1 87 87 THR HG21 H 1 1.283 0.005 . 1 . . . A 223 THR HG21 . 25081 1 1066 . 1 1 87 87 THR HG22 H 1 1.283 0.005 . 1 . . . A 223 THR HG22 . 25081 1 1067 . 1 1 87 87 THR HG23 H 1 1.283 0.005 . 1 . . . A 223 THR HG23 . 25081 1 1068 . 1 1 87 87 THR C C 13 174.750 0.000 . 1 . . . A 223 THR C . 25081 1 1069 . 1 1 87 87 THR CA C 13 58.343 0.029 . 1 . . . A 223 THR CA . 25081 1 1070 . 1 1 87 87 THR CB C 13 73.230 0.071 . 1 . . . A 223 THR CB . 25081 1 1071 . 1 1 87 87 THR CG2 C 13 21.865 0.029 . 1 . . . A 223 THR CG2 . 25081 1 1072 . 1 1 87 87 THR N N 15 101.818 0.005 . 1 . . . A 223 THR N . 25081 1 1073 . 1 1 88 88 LEU H H 1 8.740 0.003 . 1 . . . A 224 LEU H . 25081 1 1074 . 1 1 88 88 LEU HA H 1 3.641 0.007 . 1 . . . A 224 LEU HA . 25081 1 1075 . 1 1 88 88 LEU HB2 H 1 1.051 0.005 . 2 . . . A 224 LEU HB2 . 25081 1 1076 . 1 1 88 88 LEU HB3 H 1 1.570 0.003 . 2 . . . A 224 LEU HB3 . 25081 1 1077 . 1 1 88 88 LEU HG H 1 0.660 0.005 . 1 . . . A 224 LEU HG . 25081 1 1078 . 1 1 88 88 LEU HD11 H 1 0.133 0.009 . 1 . . . A 224 LEU HD11 . 25081 1 1079 . 1 1 88 88 LEU HD12 H 1 0.133 0.009 . 1 . . . A 224 LEU HD12 . 25081 1 1080 . 1 1 88 88 LEU HD13 H 1 0.133 0.009 . 1 . . . A 224 LEU HD13 . 25081 1 1081 . 1 1 88 88 LEU HD21 H 1 0.178 0.007 . 1 . . . A 224 LEU HD21 . 25081 1 1082 . 1 1 88 88 LEU HD22 H 1 0.178 0.007 . 1 . . . A 224 LEU HD22 . 25081 1 1083 . 1 1 88 88 LEU HD23 H 1 0.178 0.007 . 1 . . . A 224 LEU HD23 . 25081 1 1084 . 1 1 88 88 LEU C C 13 178.340 0.000 . 1 . . . A 224 LEU C . 25081 1 1085 . 1 1 88 88 LEU CA C 13 57.040 0.036 . 1 . . . A 224 LEU CA . 25081 1 1086 . 1 1 88 88 LEU CB C 13 41.998 0.033 . 1 . . . A 224 LEU CB . 25081 1 1087 . 1 1 88 88 LEU CG C 13 26.332 0.073 . 1 . . . A 224 LEU CG . 25081 1 1088 . 1 1 88 88 LEU CD1 C 13 24.544 0.055 . 1 . . . A 224 LEU CD1 . 25081 1 1089 . 1 1 88 88 LEU CD2 C 13 23.152 0.021 . 1 . . . A 224 LEU CD2 . 25081 1 1090 . 1 1 88 88 LEU N N 15 121.049 0.011 . 1 . . . A 224 LEU N . 25081 1 1091 . 1 1 89 89 GLN H H 1 8.762 0.001 . 1 . . . A 225 GLN H . 25081 1 1092 . 1 1 89 89 GLN HA H 1 3.967 0.003 . 1 . . . A 225 GLN HA . 25081 1 1093 . 1 1 89 89 GLN HB2 H 1 2.136 0.011 . 2 . . . A 225 GLN HB2 . 25081 1 1094 . 1 1 89 89 GLN HB3 H 1 2.313 0.007 . 2 . . . A 225 GLN HB3 . 25081 1 1095 . 1 1 89 89 GLN HG2 H 1 2.631 0.009 . 2 . . . A 225 GLN HG2 . 25081 1 1096 . 1 1 89 89 GLN HG3 H 1 2.511 0.010 . 2 . . . A 225 GLN HG3 . 25081 1 1097 . 1 1 89 89 GLN HE21 H 1 7.490 0.000 . 1 . . . A 225 GLN HE21 . 25081 1 1098 . 1 1 89 89 GLN HE22 H 1 7.041 0.000 . 1 . . . A 225 GLN HE22 . 25081 1 1099 . 1 1 89 89 GLN C C 13 178.196 0.000 . 1 . . . A 225 GLN C . 25081 1 1100 . 1 1 89 89 GLN CA C 13 59.804 0.050 . 1 . . . A 225 GLN CA . 25081 1 1101 . 1 1 89 89 GLN CB C 13 27.997 0.026 . 1 . . . A 225 GLN CB . 25081 1 1102 . 1 1 89 89 GLN CG C 13 33.982 0.023 . 1 . . . A 225 GLN CG . 25081 1 1103 . 1 1 89 89 GLN N N 15 118.131 0.009 . 1 . . . A 225 GLN N . 25081 1 1104 . 1 1 89 89 GLN NE2 N 15 111.770 0.003 . 1 . . . A 225 GLN NE2 . 25081 1 1105 . 1 1 90 90 GLN H H 1 7.876 0.004 . 1 . . . A 226 GLN H . 25081 1 1106 . 1 1 90 90 GLN HA H 1 3.963 0.008 . 1 . . . A 226 GLN HA . 25081 1 1107 . 1 1 90 90 GLN HB2 H 1 2.327 0.008 . 1 . . . A 226 GLN HB2 . 25081 1 1108 . 1 1 90 90 GLN HB3 H 1 2.327 0.008 . 1 . . . A 226 GLN HB3 . 25081 1 1109 . 1 1 90 90 GLN HG2 H 1 2.561 0.008 . 2 . . . A 226 GLN HG2 . 25081 1 1110 . 1 1 90 90 GLN HG3 H 1 2.495 0.010 . 2 . . . A 226 GLN HG3 . 25081 1 1111 . 1 1 90 90 GLN HE21 H 1 7.226 0.000 . 1 . . . A 226 GLN HE21 . 25081 1 1112 . 1 1 90 90 GLN HE22 H 1 7.604 0.000 . 1 . . . A 226 GLN HE22 . 25081 1 1113 . 1 1 90 90 GLN C C 13 177.938 0.000 . 1 . . . A 226 GLN C . 25081 1 1114 . 1 1 90 90 GLN CA C 13 58.794 0.027 . 1 . . . A 226 GLN CA . 25081 1 1115 . 1 1 90 90 GLN CB C 13 29.488 0.026 . 1 . . . A 226 GLN CB . 25081 1 1116 . 1 1 90 90 GLN CG C 13 34.840 0.041 . 1 . . . A 226 GLN CG . 25081 1 1117 . 1 1 90 90 GLN N N 15 119.113 0.012 . 1 . . . A 226 GLN N . 25081 1 1118 . 1 1 90 90 GLN NE2 N 15 112.042 0.005 . 1 . . . A 226 GLN NE2 . 25081 1 1119 . 1 1 91 91 LEU H H 1 7.029 0.002 . 1 . . . A 227 LEU H . 25081 1 1120 . 1 1 91 91 LEU HA H 1 2.130 0.008 . 1 . . . A 227 LEU HA . 25081 1 1121 . 1 1 91 91 LEU HB2 H 1 1.220 0.005 . 2 . . . A 227 LEU HB2 . 25081 1 1122 . 1 1 91 91 LEU HB3 H 1 1.759 0.004 . 2 . . . A 227 LEU HB3 . 25081 1 1123 . 1 1 91 91 LEU HG H 1 1.553 0.002 . 1 . . . A 227 LEU HG . 25081 1 1124 . 1 1 91 91 LEU HD11 H 1 0.911 0.005 . 1 . . . A 227 LEU HD11 . 25081 1 1125 . 1 1 91 91 LEU HD12 H 1 0.911 0.005 . 1 . . . A 227 LEU HD12 . 25081 1 1126 . 1 1 91 91 LEU HD13 H 1 0.911 0.005 . 1 . . . A 227 LEU HD13 . 25081 1 1127 . 1 1 91 91 LEU HD21 H 1 0.507 0.008 . 1 . . . A 227 LEU HD21 . 25081 1 1128 . 1 1 91 91 LEU HD22 H 1 0.507 0.008 . 1 . . . A 227 LEU HD22 . 25081 1 1129 . 1 1 91 91 LEU HD23 H 1 0.507 0.008 . 1 . . . A 227 LEU HD23 . 25081 1 1130 . 1 1 91 91 LEU C C 13 177.375 0.000 . 1 . . . A 227 LEU C . 25081 1 1131 . 1 1 91 91 LEU CA C 13 59.200 0.058 . 1 . . . A 227 LEU CA . 25081 1 1132 . 1 1 91 91 LEU CB C 13 41.624 0.029 . 1 . . . A 227 LEU CB . 25081 1 1133 . 1 1 91 91 LEU CG C 13 27.479 0.039 . 1 . . . A 227 LEU CG . 25081 1 1134 . 1 1 91 91 LEU CD1 C 13 27.892 0.034 . 1 . . . A 227 LEU CD1 . 25081 1 1135 . 1 1 91 91 LEU CD2 C 13 24.150 0.036 . 1 . . . A 227 LEU CD2 . 25081 1 1136 . 1 1 91 91 LEU N N 15 123.782 0.005 . 1 . . . A 227 LEU N . 25081 1 1137 . 1 1 92 92 VAL H H 1 7.972 0.004 . 1 . . . A 228 VAL H . 25081 1 1138 . 1 1 92 92 VAL HA H 1 2.766 0.006 . 1 . . . A 228 VAL HA . 25081 1 1139 . 1 1 92 92 VAL HB H 1 1.414 0.006 . 1 . . . A 228 VAL HB . 25081 1 1140 . 1 1 92 92 VAL HG11 H 1 0.132 0.007 . 1 . . . A 228 VAL HG11 . 25081 1 1141 . 1 1 92 92 VAL HG12 H 1 0.132 0.007 . 1 . . . A 228 VAL HG12 . 25081 1 1142 . 1 1 92 92 VAL HG13 H 1 0.132 0.007 . 1 . . . A 228 VAL HG13 . 25081 1 1143 . 1 1 92 92 VAL HG21 H 1 -0.450 0.006 . 1 . . . A 228 VAL HG21 . 25081 1 1144 . 1 1 92 92 VAL HG22 H 1 -0.450 0.006 . 1 . . . A 228 VAL HG22 . 25081 1 1145 . 1 1 92 92 VAL HG23 H 1 -0.450 0.006 . 1 . . . A 228 VAL HG23 . 25081 1 1146 . 1 1 92 92 VAL C C 13 178.577 0.000 . 1 . . . A 228 VAL C . 25081 1 1147 . 1 1 92 92 VAL CA C 13 66.455 0.012 . 1 . . . A 228 VAL CA . 25081 1 1148 . 1 1 92 92 VAL CB C 13 31.304 0.042 . 1 . . . A 228 VAL CB . 25081 1 1149 . 1 1 92 92 VAL CG1 C 13 20.877 0.033 . 1 . . . A 228 VAL CG1 . 25081 1 1150 . 1 1 92 92 VAL CG2 C 13 22.814 0.042 . 1 . . . A 228 VAL CG2 . 25081 1 1151 . 1 1 92 92 VAL N N 15 119.694 0.008 . 1 . . . A 228 VAL N . 25081 1 1152 . 1 1 93 93 GLN H H 1 8.106 0.001 . 1 . . . A 229 GLN H . 25081 1 1153 . 1 1 93 93 GLN HA H 1 3.736 0.007 . 1 . . . A 229 GLN HA . 25081 1 1154 . 1 1 93 93 GLN HB2 H 1 2.019 0.003 . 2 . . . A 229 GLN HB2 . 25081 1 1155 . 1 1 93 93 GLN HB3 H 1 2.099 0.005 . 2 . . . A 229 GLN HB3 . 25081 1 1156 . 1 1 93 93 GLN HG2 H 1 2.379 0.006 . 1 . . . A 229 GLN HG2 . 25081 1 1157 . 1 1 93 93 GLN HG3 H 1 2.379 0.006 . 1 . . . A 229 GLN HG3 . 25081 1 1158 . 1 1 93 93 GLN HE21 H 1 6.831 0.000 . 1 . . . A 229 GLN HE21 . 25081 1 1159 . 1 1 93 93 GLN HE22 H 1 7.701 0.000 . 1 . . . A 229 GLN HE22 . 25081 1 1160 . 1 1 93 93 GLN C C 13 178.367 0.000 . 1 . . . A 229 GLN C . 25081 1 1161 . 1 1 93 93 GLN CA C 13 59.162 0.019 . 1 . . . A 229 GLN CA . 25081 1 1162 . 1 1 93 93 GLN CB C 13 28.056 0.034 . 1 . . . A 229 GLN CB . 25081 1 1163 . 1 1 93 93 GLN CG C 13 33.650 0.017 . 1 . . . A 229 GLN CG . 25081 1 1164 . 1 1 93 93 GLN N N 15 119.975 0.010 . 1 . . . A 229 GLN N . 25081 1 1165 . 1 1 93 93 GLN NE2 N 15 112.463 0.004 . 1 . . . A 229 GLN NE2 . 25081 1 1166 . 1 1 94 94 HIS H H 1 7.629 0.001 . 1 . . . A 230 HIS H . 25081 1 1167 . 1 1 94 94 HIS HA H 1 4.007 0.000 . 1 . . . A 230 HIS HA . 25081 1 1168 . 1 1 94 94 HIS HB2 H 1 2.587 0.000 . 2 . . . A 230 HIS HB2 . 25081 1 1169 . 1 1 94 94 HIS HB3 H 1 2.833 0.000 . 2 . . . A 230 HIS HB3 . 25081 1 1170 . 1 1 94 94 HIS HD2 H 1 5.025 0.005 . 1 . . . A 230 HIS HD2 . 25081 1 1171 . 1 1 94 94 HIS HE1 H 1 7.687 0.001 . 1 . . . A 230 HIS HE1 . 25081 1 1172 . 1 1 94 94 HIS C C 13 177.663 0.000 . 1 . . . A 230 HIS C . 25081 1 1173 . 1 1 94 94 HIS CA C 13 60.239 0.018 . 1 . . . A 230 HIS CA . 25081 1 1174 . 1 1 94 94 HIS CB C 13 30.642 0.023 . 1 . . . A 230 HIS CB . 25081 1 1175 . 1 1 94 94 HIS CD2 C 13 121.579 0.000 . 1 . . . A 230 HIS CD2 . 25081 1 1176 . 1 1 94 94 HIS CE1 C 13 138.346 0.046 . 1 . . . A 230 HIS CE1 . 25081 1 1177 . 1 1 94 94 HIS N N 15 118.594 0.008 . 1 . . . A 230 HIS N . 25081 1 1178 . 1 1 95 95 TYR H H 1 7.451 0.003 . 1 . . . A 231 TYR H . 25081 1 1179 . 1 1 95 95 TYR HA H 1 4.877 0.000 . 1 . . . A 231 TYR HA . 25081 1 1180 . 1 1 95 95 TYR HB2 H 1 2.153 0.000 . 2 . . . A 231 TYR HB2 . 25081 1 1181 . 1 1 95 95 TYR HB3 H 1 3.130 0.000 . 2 . . . A 231 TYR HB3 . 25081 1 1182 . 1 1 95 95 TYR HD1 H 1 7.209 0.003 . 3 . . . A 231 TYR HD1 . 25081 1 1183 . 1 1 95 95 TYR HD2 H 1 7.209 0.003 . 3 . . . A 231 TYR HD2 . 25081 1 1184 . 1 1 95 95 TYR HE1 H 1 6.839 0.007 . 3 . . . A 231 TYR HE1 . 25081 1 1185 . 1 1 95 95 TYR HE2 H 1 6.839 0.007 . 3 . . . A 231 TYR HE2 . 25081 1 1186 . 1 1 95 95 TYR C C 13 175.464 0.000 . 1 . . . A 231 TYR C . 25081 1 1187 . 1 1 95 95 TYR CA C 13 60.105 0.043 . 1 . . . A 231 TYR CA . 25081 1 1188 . 1 1 95 95 TYR CB C 13 37.523 0.031 . 1 . . . A 231 TYR CB . 25081 1 1189 . 1 1 95 95 TYR CD1 C 13 134.335 0.000 . 3 . . . A 231 TYR CD1 . 25081 1 1190 . 1 1 95 95 TYR CD2 C 13 134.335 0.000 . 3 . . . A 231 TYR CD2 . 25081 1 1191 . 1 1 95 95 TYR CE1 C 13 117.731 0.000 . 3 . . . A 231 TYR CE1 . 25081 1 1192 . 1 1 95 95 TYR CE2 C 13 117.731 0.000 . 3 . . . A 231 TYR CE2 . 25081 1 1193 . 1 1 95 95 TYR N N 15 114.527 0.024 . 1 . . . A 231 TYR N . 25081 1 1194 . 1 1 96 96 SER H H 1 7.613 0.003 . 1 . . . A 232 SER H . 25081 1 1195 . 1 1 96 96 SER HA H 1 4.834 0.001 . 1 . . . A 232 SER HA . 25081 1 1196 . 1 1 96 96 SER HB2 H 1 3.750 0.000 . 2 . . . A 232 SER HB2 . 25081 1 1197 . 1 1 96 96 SER HB3 H 1 3.890 0.000 . 2 . . . A 232 SER HB3 . 25081 1 1198 . 1 1 96 96 SER C C 13 175.106 0.000 . 1 . . . A 232 SER C . 25081 1 1199 . 1 1 96 96 SER CA C 13 59.868 0.024 . 1 . . . A 232 SER CA . 25081 1 1200 . 1 1 96 96 SER CB C 13 63.342 0.025 . 1 . . . A 232 SER CB . 25081 1 1201 . 1 1 96 96 SER N N 15 114.292 0.012 . 1 . . . A 232 SER N . 25081 1 1202 . 1 1 97 97 GLU H H 1 7.257 0.002 . 1 . . . A 233 GLU H . 25081 1 1203 . 1 1 97 97 GLU HA H 1 4.162 0.005 . 1 . . . A 233 GLU HA . 25081 1 1204 . 1 1 97 97 GLU HB2 H 1 1.969 0.001 . 1 . . . A 233 GLU HB2 . 25081 1 1205 . 1 1 97 97 GLU HB3 H 1 1.969 0.001 . 1 . . . A 233 GLU HB3 . 25081 1 1206 . 1 1 97 97 GLU HG2 H 1 2.142 0.007 . 2 . . . A 233 GLU HG2 . 25081 1 1207 . 1 1 97 97 GLU HG3 H 1 2.419 0.007 . 2 . . . A 233 GLU HG3 . 25081 1 1208 . 1 1 97 97 GLU C C 13 176.709 0.000 . 1 . . . A 233 GLU C . 25081 1 1209 . 1 1 97 97 GLU CA C 13 57.553 0.044 . 1 . . . A 233 GLU CA . 25081 1 1210 . 1 1 97 97 GLU CB C 13 30.558 0.032 . 1 . . . A 233 GLU CB . 25081 1 1211 . 1 1 97 97 GLU CG C 13 36.181 0.023 . 1 . . . A 233 GLU CG . 25081 1 1212 . 1 1 97 97 GLU N N 15 121.606 0.011 . 1 . . . A 233 GLU N . 25081 1 1213 . 1 1 98 98 ARG H H 1 7.551 0.002 . 1 . . . A 234 ARG H . 25081 1 1214 . 1 1 98 98 ARG HA H 1 4.222 0.008 . 1 . . . A 234 ARG HA . 25081 1 1215 . 1 1 98 98 ARG HB2 H 1 1.545 0.002 . 2 . . . A 234 ARG HB2 . 25081 1 1216 . 1 1 98 98 ARG HB3 H 1 1.795 0.001 . 2 . . . A 234 ARG HB3 . 25081 1 1217 . 1 1 98 98 ARG HG2 H 1 1.411 0.008 . 2 . . . A 234 ARG HG2 . 25081 1 1218 . 1 1 98 98 ARG HG3 H 1 1.282 0.005 . 2 . . . A 234 ARG HG3 . 25081 1 1219 . 1 1 98 98 ARG HD2 H 1 2.981 0.007 . 1 . . . A 234 ARG HD2 . 25081 1 1220 . 1 1 98 98 ARG HD3 H 1 2.981 0.007 . 1 . . . A 234 ARG HD3 . 25081 1 1221 . 1 1 98 98 ARG C C 13 172.677 0.000 . 1 . . . A 234 ARG C . 25081 1 1222 . 1 1 98 98 ARG CA C 13 54.614 0.023 . 1 . . . A 234 ARG CA . 25081 1 1223 . 1 1 98 98 ARG CB C 13 31.710 0.036 . 1 . . . A 234 ARG CB . 25081 1 1224 . 1 1 98 98 ARG CG C 13 25.957 0.059 . 1 . . . A 234 ARG CG . 25081 1 1225 . 1 1 98 98 ARG CD C 13 43.115 0.026 . 1 . . . A 234 ARG CD . 25081 1 1226 . 1 1 98 98 ARG N N 15 115.876 0.005 . 1 . . . A 234 ARG N . 25081 1 1227 . 1 1 99 99 ALA H H 1 8.388 0.001 . 1 . . . A 235 ALA H . 25081 1 1228 . 1 1 99 99 ALA HA H 1 3.863 0.006 . 1 . . . A 235 ALA HA . 25081 1 1229 . 1 1 99 99 ALA HB1 H 1 1.189 0.006 . 1 . . . A 235 ALA HB1 . 25081 1 1230 . 1 1 99 99 ALA HB2 H 1 1.189 0.006 . 1 . . . A 235 ALA HB2 . 25081 1 1231 . 1 1 99 99 ALA HB3 H 1 1.189 0.006 . 1 . . . A 235 ALA HB3 . 25081 1 1232 . 1 1 99 99 ALA C C 13 177.987 0.000 . 1 . . . A 235 ALA C . 25081 1 1233 . 1 1 99 99 ALA CA C 13 54.768 0.030 . 1 . . . A 235 ALA CA . 25081 1 1234 . 1 1 99 99 ALA CB C 13 18.026 0.027 . 1 . . . A 235 ALA CB . 25081 1 1235 . 1 1 99 99 ALA N N 15 121.840 0.009 . 1 . . . A 235 ALA N . 25081 1 1236 . 1 1 100 100 ALA H H 1 8.231 0.002 . 1 . . . A 236 ALA H . 25081 1 1237 . 1 1 100 100 ALA HA H 1 3.977 0.008 . 1 . . . A 236 ALA HA . 25081 1 1238 . 1 1 100 100 ALA HB1 H 1 1.291 0.003 . 1 . . . A 236 ALA HB1 . 25081 1 1239 . 1 1 100 100 ALA HB2 H 1 1.291 0.003 . 1 . . . A 236 ALA HB2 . 25081 1 1240 . 1 1 100 100 ALA HB3 H 1 1.291 0.003 . 1 . . . A 236 ALA HB3 . 25081 1 1241 . 1 1 100 100 ALA C C 13 176.713 0.000 . 1 . . . A 236 ALA C . 25081 1 1242 . 1 1 100 100 ALA CA C 13 52.520 0.043 . 1 . . . A 236 ALA CA . 25081 1 1243 . 1 1 100 100 ALA CB C 13 18.739 0.056 . 1 . . . A 236 ALA CB . 25081 1 1244 . 1 1 100 100 ALA N N 15 115.506 0.018 . 1 . . . A 236 ALA N . 25081 1 1245 . 1 1 101 101 GLY H H 1 8.229 0.003 . 1 . . . A 237 GLY H . 25081 1 1246 . 1 1 101 101 GLY HA2 H 1 4.526 0.004 . 2 . . . A 237 GLY HA2 . 25081 1 1247 . 1 1 101 101 GLY HA3 H 1 3.594 0.004 . 2 . . . A 237 GLY HA3 . 25081 1 1248 . 1 1 101 101 GLY C C 13 175.737 0.000 . 1 . . . A 237 GLY C . 25081 1 1249 . 1 1 101 101 GLY CA C 13 45.199 0.029 . 1 . . . A 237 GLY CA . 25081 1 1250 . 1 1 101 101 GLY N N 15 105.045 0.013 . 1 . . . A 237 GLY N . 25081 1 1251 . 1 1 102 102 LEU H H 1 8.053 0.001 . 1 . . . A 238 LEU H . 25081 1 1252 . 1 1 102 102 LEU HA H 1 4.104 0.008 . 1 . . . A 238 LEU HA . 25081 1 1253 . 1 1 102 102 LEU HB2 H 1 1.746 0.002 . 2 . . . A 238 LEU HB2 . 25081 1 1254 . 1 1 102 102 LEU HB3 H 1 1.043 0.005 . 2 . . . A 238 LEU HB3 . 25081 1 1255 . 1 1 102 102 LEU HG H 1 1.383 0.003 . 1 . . . A 238 LEU HG . 25081 1 1256 . 1 1 102 102 LEU HD11 H 1 -0.092 0.007 . 1 . . . A 238 LEU HD11 . 25081 1 1257 . 1 1 102 102 LEU HD12 H 1 -0.092 0.007 . 1 . . . A 238 LEU HD12 . 25081 1 1258 . 1 1 102 102 LEU HD13 H 1 -0.092 0.007 . 1 . . . A 238 LEU HD13 . 25081 1 1259 . 1 1 102 102 LEU HD21 H 1 -0.284 0.006 . 1 . . . A 238 LEU HD21 . 25081 1 1260 . 1 1 102 102 LEU HD22 H 1 -0.284 0.006 . 1 . . . A 238 LEU HD22 . 25081 1 1261 . 1 1 102 102 LEU HD23 H 1 -0.284 0.006 . 1 . . . A 238 LEU HD23 . 25081 1 1262 . 1 1 102 102 LEU C C 13 176.522 0.000 . 1 . . . A 238 LEU C . 25081 1 1263 . 1 1 102 102 LEU CA C 13 54.433 0.031 . 1 . . . A 238 LEU CA . 25081 1 1264 . 1 1 102 102 LEU CB C 13 42.327 0.067 . 1 . . . A 238 LEU CB . 25081 1 1265 . 1 1 102 102 LEU CG C 13 26.269 0.061 . 1 . . . A 238 LEU CG . 25081 1 1266 . 1 1 102 102 LEU CD1 C 13 25.309 0.037 . 1 . . . A 238 LEU CD1 . 25081 1 1267 . 1 1 102 102 LEU CD2 C 13 20.804 0.031 . 1 . . . A 238 LEU CD2 . 25081 1 1268 . 1 1 102 102 LEU N N 15 119.594 0.012 . 1 . . . A 238 LEU N . 25081 1 1269 . 1 1 103 103 CYS H H 1 7.375 0.005 . 1 . . . A 239 CYS H . 25081 1 1270 . 1 1 103 103 CYS HA H 1 4.239 0.011 . 1 . . . A 239 CYS HA . 25081 1 1271 . 1 1 103 103 CYS HB2 H 1 2.796 0.001 . 2 . . . A 239 CYS HB2 . 25081 1 1272 . 1 1 103 103 CYS HB3 H 1 3.490 0.011 . 2 . . . A 239 CYS HB3 . 25081 1 1273 . 1 1 103 103 CYS C C 13 173.217 0.000 . 1 . . . A 239 CYS C . 25081 1 1274 . 1 1 103 103 CYS CA C 13 58.368 0.052 . 1 . . . A 239 CYS CA . 25081 1 1275 . 1 1 103 103 CYS CB C 13 28.708 0.036 . 1 . . . A 239 CYS CB . 25081 1 1276 . 1 1 103 103 CYS N N 15 117.044 0.014 . 1 . . . A 239 CYS N . 25081 1 1277 . 1 1 104 104 CYS H H 1 7.346 0.001 . 1 . . . A 240 CYS H . 25081 1 1278 . 1 1 104 104 CYS HA H 1 4.441 0.004 . 1 . . . A 240 CYS HA . 25081 1 1279 . 1 1 104 104 CYS HB2 H 1 2.977 0.008 . 2 . . . A 240 CYS HB2 . 25081 1 1280 . 1 1 104 104 CYS HB3 H 1 3.139 0.000 . 2 . . . A 240 CYS HB3 . 25081 1 1281 . 1 1 104 104 CYS C C 13 170.418 0.000 . 1 . . . A 240 CYS C . 25081 1 1282 . 1 1 104 104 CYS CA C 13 56.236 0.061 . 1 . . . A 240 CYS CA . 25081 1 1283 . 1 1 104 104 CYS CB C 13 29.369 0.014 . 1 . . . A 240 CYS CB . 25081 1 1284 . 1 1 104 104 CYS N N 15 114.944 0.020 . 1 . . . A 240 CYS N . 25081 1 1285 . 1 1 105 105 ARG H H 1 7.880 0.002 . 1 . . . A 241 ARG H . 25081 1 1286 . 1 1 105 105 ARG HA H 1 4.058 0.003 . 1 . . . A 241 ARG HA . 25081 1 1287 . 1 1 105 105 ARG HB2 H 1 1.525 0.003 . 1 . . . A 241 ARG HB2 . 25081 1 1288 . 1 1 105 105 ARG HB3 H 1 1.525 0.003 . 1 . . . A 241 ARG HB3 . 25081 1 1289 . 1 1 105 105 ARG HG2 H 1 1.201 0.006 . 2 . . . A 241 ARG HG2 . 25081 1 1290 . 1 1 105 105 ARG HG3 H 1 1.414 0.004 . 2 . . . A 241 ARG HG3 . 25081 1 1291 . 1 1 105 105 ARG HD2 H 1 2.842 0.009 . 2 . . . A 241 ARG HD2 . 25081 1 1292 . 1 1 105 105 ARG HD3 H 1 3.070 0.004 . 2 . . . A 241 ARG HD3 . 25081 1 1293 . 1 1 105 105 ARG C C 13 174.896 0.000 . 1 . . . A 241 ARG C . 25081 1 1294 . 1 1 105 105 ARG CA C 13 56.031 0.053 . 1 . . . A 241 ARG CA . 25081 1 1295 . 1 1 105 105 ARG CB C 13 31.439 0.040 . 1 . . . A 241 ARG CB . 25081 1 1296 . 1 1 105 105 ARG CG C 13 27.444 0.029 . 1 . . . A 241 ARG CG . 25081 1 1297 . 1 1 105 105 ARG CD C 13 43.722 0.051 . 1 . . . A 241 ARG CD . 25081 1 1298 . 1 1 105 105 ARG N N 15 117.257 0.022 . 1 . . . A 241 ARG N . 25081 1 1299 . 1 1 106 106 LEU H H 1 7.667 0.003 . 1 . . . A 242 LEU H . 25081 1 1300 . 1 1 106 106 LEU HA H 1 3.902 0.005 . 1 . . . A 242 LEU HA . 25081 1 1301 . 1 1 106 106 LEU HB2 H 1 0.056 0.001 . 2 . . . A 242 LEU HB2 . 25081 1 1302 . 1 1 106 106 LEU HB3 H 1 1.049 0.005 . 2 . . . A 242 LEU HB3 . 25081 1 1303 . 1 1 106 106 LEU HD11 H 1 -0.125 0.006 . 1 . . . A 242 LEU HD11 . 25081 1 1304 . 1 1 106 106 LEU HD12 H 1 -0.125 0.006 . 1 . . . A 242 LEU HD12 . 25081 1 1305 . 1 1 106 106 LEU HD13 H 1 -0.125 0.006 . 1 . . . A 242 LEU HD13 . 25081 1 1306 . 1 1 106 106 LEU HD21 H 1 0.107 0.007 . 1 . . . A 242 LEU HD21 . 25081 1 1307 . 1 1 106 106 LEU HD22 H 1 0.107 0.007 . 1 . . . A 242 LEU HD22 . 25081 1 1308 . 1 1 106 106 LEU HD23 H 1 0.107 0.007 . 1 . . . A 242 LEU HD23 . 25081 1 1309 . 1 1 106 106 LEU C C 13 176.637 0.000 . 1 . . . A 242 LEU C . 25081 1 1310 . 1 1 106 106 LEU CA C 13 54.528 0.035 . 1 . . . A 242 LEU CA . 25081 1 1311 . 1 1 106 106 LEU CB C 13 38.338 0.036 . 1 . . . A 242 LEU CB . 25081 1 1312 . 1 1 106 106 LEU CD1 C 13 25.086 0.050 . 1 . . . A 242 LEU CD1 . 25081 1 1313 . 1 1 106 106 LEU CD2 C 13 22.124 0.023 . 1 . . . A 242 LEU CD2 . 25081 1 1314 . 1 1 106 106 LEU N N 15 120.246 0.012 . 1 . . . A 242 LEU N . 25081 1 1315 . 1 1 107 107 VAL H H 1 8.345 0.006 . 1 . . . A 243 VAL H . 25081 1 1316 . 1 1 107 107 VAL HA H 1 3.936 0.004 . 1 . . . A 243 VAL HA . 25081 1 1317 . 1 1 107 107 VAL HB H 1 1.667 0.004 . 1 . . . A 243 VAL HB . 25081 1 1318 . 1 1 107 107 VAL HG11 H 1 0.901 0.005 . 1 . . . A 243 VAL HG11 . 25081 1 1319 . 1 1 107 107 VAL HG12 H 1 0.901 0.005 . 1 . . . A 243 VAL HG12 . 25081 1 1320 . 1 1 107 107 VAL HG13 H 1 0.901 0.005 . 1 . . . A 243 VAL HG13 . 25081 1 1321 . 1 1 107 107 VAL HG21 H 1 1.040 0.007 . 1 . . . A 243 VAL HG21 . 25081 1 1322 . 1 1 107 107 VAL HG22 H 1 1.040 0.007 . 1 . . . A 243 VAL HG22 . 25081 1 1323 . 1 1 107 107 VAL HG23 H 1 1.040 0.007 . 1 . . . A 243 VAL HG23 . 25081 1 1324 . 1 1 107 107 VAL CA C 13 64.709 0.053 . 1 . . . A 243 VAL CA . 25081 1 1325 . 1 1 107 107 VAL CB C 13 34.113 0.032 . 1 . . . A 243 VAL CB . 25081 1 1326 . 1 1 107 107 VAL CG1 C 13 20.916 0.041 . 1 . . . A 243 VAL CG1 . 25081 1 1327 . 1 1 107 107 VAL CG2 C 13 22.568 0.032 . 1 . . . A 243 VAL CG2 . 25081 1 1328 . 1 1 107 107 VAL N N 15 123.817 0.017 . 1 . . . A 243 VAL N . 25081 1 1329 . 1 1 108 108 VAL HA H 1 4.922 0.009 . 1 . . . A 244 VAL HA . 25081 1 1330 . 1 1 108 108 VAL HB H 1 2.199 0.007 . 1 . . . A 244 VAL HB . 25081 1 1331 . 1 1 108 108 VAL HG11 H 1 0.892 0.002 . 1 . . . A 244 VAL HG11 . 25081 1 1332 . 1 1 108 108 VAL HG12 H 1 0.892 0.002 . 1 . . . A 244 VAL HG12 . 25081 1 1333 . 1 1 108 108 VAL HG13 H 1 0.892 0.002 . 1 . . . A 244 VAL HG13 . 25081 1 1334 . 1 1 108 108 VAL HG21 H 1 1.055 0.005 . 1 . . . A 244 VAL HG21 . 25081 1 1335 . 1 1 108 108 VAL HG22 H 1 1.055 0.005 . 1 . . . A 244 VAL HG22 . 25081 1 1336 . 1 1 108 108 VAL HG23 H 1 1.055 0.005 . 1 . . . A 244 VAL HG23 . 25081 1 1337 . 1 1 108 108 VAL CA C 13 58.000 0.061 . 1 . . . A 244 VAL CA . 25081 1 1338 . 1 1 108 108 VAL CB C 13 34.925 0.054 . 1 . . . A 244 VAL CB . 25081 1 1339 . 1 1 108 108 VAL CG1 C 13 20.525 0.059 . 1 . . . A 244 VAL CG1 . 25081 1 1340 . 1 1 108 108 VAL CG2 C 13 20.525 0.034 . 1 . . . A 244 VAL CG2 . 25081 1 1341 . 1 1 109 109 PRO HA H 1 3.859 0.007 . 1 . . . A 245 PRO HA . 25081 1 1342 . 1 1 109 109 PRO HB2 H 1 1.773 0.003 . 1 . . . A 245 PRO HB2 . 25081 1 1343 . 1 1 109 109 PRO HB3 H 1 1.773 0.003 . 1 . . . A 245 PRO HB3 . 25081 1 1344 . 1 1 109 109 PRO HG2 H 1 1.898 0.001 . 2 . . . A 245 PRO HG2 . 25081 1 1345 . 1 1 109 109 PRO HG3 H 1 2.173 0.003 . 2 . . . A 245 PRO HG3 . 25081 1 1346 . 1 1 109 109 PRO HD2 H 1 3.974 0.008 . 2 . . . A 245 PRO HD2 . 25081 1 1347 . 1 1 109 109 PRO HD3 H 1 3.716 0.008 . 2 . . . A 245 PRO HD3 . 25081 1 1348 . 1 1 109 109 PRO C C 13 176.361 0.000 . 1 . . . A 245 PRO C . 25081 1 1349 . 1 1 109 109 PRO CA C 13 61.513 0.056 . 1 . . . A 245 PRO CA . 25081 1 1350 . 1 1 109 109 PRO CB C 13 32.193 0.069 . 1 . . . A 245 PRO CB . 25081 1 1351 . 1 1 109 109 PRO CG C 13 28.137 0.031 . 1 . . . A 245 PRO CG . 25081 1 1352 . 1 1 109 109 PRO CD C 13 51.644 0.018 . 1 . . . A 245 PRO CD . 25081 1 1353 . 1 1 110 110 CYS H H 1 8.277 0.003 . 1 . . . A 246 CYS H . 25081 1 1354 . 1 1 110 110 CYS HA H 1 3.788 0.001 . 1 . . . A 246 CYS HA . 25081 1 1355 . 1 1 110 110 CYS HB2 H 1 2.554 0.007 . 1 . . . A 246 CYS HB2 . 25081 1 1356 . 1 1 110 110 CYS HB3 H 1 2.554 0.007 . 1 . . . A 246 CYS HB3 . 25081 1 1357 . 1 1 110 110 CYS C C 13 172.963 0.000 . 1 . . . A 246 CYS C . 25081 1 1358 . 1 1 110 110 CYS CA C 13 60.225 0.008 . 1 . . . A 246 CYS CA . 25081 1 1359 . 1 1 110 110 CYS CB C 13 27.792 0.048 . 1 . . . A 246 CYS CB . 25081 1 1360 . 1 1 110 110 CYS N N 15 123.122 0.022 . 1 . . . A 246 CYS N . 25081 1 1361 . 1 1 111 111 HIS H H 1 8.367 0.003 . 1 . . . A 247 HIS H . 25081 1 1362 . 1 1 111 111 HIS HA H 1 4.623 0.000 . 1 . . . A 247 HIS HA . 25081 1 1363 . 1 1 111 111 HIS HB2 H 1 3.293 0.000 . 1 . . . A 247 HIS HB2 . 25081 1 1364 . 1 1 111 111 HIS HB3 H 1 3.293 0.000 . 1 . . . A 247 HIS HB3 . 25081 1 1365 . 1 1 111 111 HIS HD2 H 1 7.290 0.013 . 1 . . . A 247 HIS HD2 . 25081 1 1366 . 1 1 111 111 HIS C C 13 174.280 0.000 . 1 . . . A 247 HIS C . 25081 1 1367 . 1 1 111 111 HIS CA C 13 56.225 0.003 . 1 . . . A 247 HIS CA . 25081 1 1368 . 1 1 111 111 HIS CB C 13 29.394 0.009 . 1 . . . A 247 HIS CB . 25081 1 1369 . 1 1 111 111 HIS CD2 C 13 120.011 0.000 . 1 . . . A 247 HIS CD2 . 25081 1 1370 . 1 1 111 111 HIS N N 15 125.838 0.013 . 1 . . . A 247 HIS N . 25081 1 1371 . 1 1 112 112 LYS H H 1 8.306 0.001 . 1 . . . A 248 LYS H . 25081 1 1372 . 1 1 112 112 LYS HA H 1 4.145 0.006 . 1 . . . A 248 LYS HA . 25081 1 1373 . 1 1 112 112 LYS HB2 H 1 1.768 0.006 . 2 . . . A 248 LYS HB2 . 25081 1 1374 . 1 1 112 112 LYS HB3 H 1 1.601 0.007 . 2 . . . A 248 LYS HB3 . 25081 1 1375 . 1 1 112 112 LYS HG2 H 1 1.171 0.008 . 2 . . . A 248 LYS HG2 . 25081 1 1376 . 1 1 112 112 LYS HG3 H 1 1.289 0.006 . 2 . . . A 248 LYS HG3 . 25081 1 1377 . 1 1 112 112 LYS HD2 H 1 1.394 0.005 . 1 . . . A 248 LYS HD2 . 25081 1 1378 . 1 1 112 112 LYS HD3 H 1 1.394 0.005 . 1 . . . A 248 LYS HD3 . 25081 1 1379 . 1 1 112 112 LYS HE2 H 1 2.525 0.007 . 2 . . . A 248 LYS HE2 . 25081 1 1380 . 1 1 112 112 LYS HE3 H 1 2.592 0.008 . 2 . . . A 248 LYS HE3 . 25081 1 1381 . 1 1 112 112 LYS CA C 13 58.168 0.044 . 1 . . . A 248 LYS CA . 25081 1 1382 . 1 1 112 112 LYS CB C 13 33.526 0.028 . 1 . . . A 248 LYS CB . 25081 1 1383 . 1 1 112 112 LYS CG C 13 25.450 0.077 . 1 . . . A 248 LYS CG . 25081 1 1384 . 1 1 112 112 LYS CD C 13 29.138 0.022 . 1 . . . A 248 LYS CD . 25081 1 1385 . 1 1 112 112 LYS CE C 13 42.135 0.055 . 1 . . . A 248 LYS CE . 25081 1 1386 . 1 1 112 112 LYS N N 15 128.309 0.006 . 1 . . . A 248 LYS N . 25081 1 stop_ save_