data_25047 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 25047 _Entry.Title ; RRM-Peptide and RES Complex ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2014-06-25 _Entry.Accession_date 2014-06-25 _Entry.Last_release_date 2014-08-26 _Entry.Original_release_date 2014-08-26 _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version 3.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype solution _Entry.Details . _Entry.BMRB_internal_directory_name . loop_ _Entry_author.Ordinal _Entry_author.Given_name _Entry_author.Family_name _Entry_author.First_initial _Entry_author.Middle_initials _Entry_author.Family_title _Entry_author.Entry_ID 1 Konstantinos Tripsianes . . . 25047 2 A. Friberg . . . 25047 3 C. Barrandon . . . 25047 4 B. Seraphin . . . 25047 5 M. Sattler . . . 25047 stop_ loop_ _Entry_src.ID _Entry_src.Project_name _Entry_src.Organization_full_name _Entry_src.Organization_initials _Entry_src.Entry_ID 1 . TripsianesGroup . 25047 stop_ loop_ _Struct_keywords.Keywords _Struct_keywords.Text _Struct_keywords.Entry_ID TRANSLATION . 25047 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 25047 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '1H chemical shifts' 861 25047 '13C chemical shifts' 427 25047 '15N chemical shifts' 132 25047 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 . . 2014-08-26 2014-06-25 original author . 25047 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 4uqt 'RRM-PEPTIDE and RES COMPLEX' 25047 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 25047 _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 'A Novel RRM-Peptide Interaction in the RES Complex' _Citation.Status 'in preparation' _Citation.Type journal _Citation.Journal_abbrev 'J. Biol. Chem.' _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 Konstantinos Tripsianes . . . 25047 1 2 A. Friberg . . . 25047 1 3 C. Barrandon . . . 25047 1 4 B. Seraphin . . . 25047 1 5 M. Sattler . . . 25047 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 25047 _Assembly.ID 1 _Assembly.Name 'RRM-PEPTIDE and RES COMPLEX' _Assembly.BMRB_code . _Assembly.Number_of_components 2 _Assembly.Organic_ligands 0 _Assembly.Metal_ions 0 _Assembly.Non_standard_bonds no _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state 'not present' _Assembly.Molecular_mass 14417.0139 _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 RRM 1 $RRM A . yes native no no . . . 25047 1 2 RES 2 $RES B . yes native no no . . . 25047 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_RRM _Entity.Sf_category entity _Entity.Sf_framecode RRM _Entity.Entry_ID 25047 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name RRM _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 ; GAMGNEYKDNAYIYIGNLNR ELTEGDILTVFSEYGVPVDV ILSRDENTGESQGFAYLKYE DQRSTILAVDNLNGFKIGGR ALKIDHTFYRPKR ; _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 93 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'not present' _Entity.Src_method . _Entity.Parent_entity_ID 1 _Entity.Fragment 'RRM, Residues 25-113' _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 10207.3111 _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 yes UNP IST3_YEAST . P40565 . . . . . . . . . . . . . . 25047 1 2 no BMRB 19766 . Snu17p . . . . . 100.00 118 100.00 100.00 6.19e-60 . . . . 25047 1 3 no BMRB 25442 . Snu17p . . . . . 100.00 118 100.00 100.00 6.19e-60 . . . . 25047 1 4 no BMRB 25443 . Snu17p . . . . . 100.00 118 100.00 100.00 6.19e-60 . . . . 25047 1 5 no PDB 2MKC . "Cooperative Structure Of The Heterotrimeric Pre-mrna Retention And Splicing Complex" . . . . . 100.00 118 100.00 100.00 6.19e-60 . . . . 25047 1 6 no PDB 2MY2 . "Snu17p-bud13p Structure Intermediate During Res Complex Assembly" . . . . . 100.00 118 100.00 100.00 6.19e-60 . . . . 25047 1 7 no PDB 2MY3 . "Snu17p-pml1p Structure Intermediate During Res Complex Assembly" . . . . . 100.00 118 100.00 100.00 6.19e-60 . . . . 25047 1 8 no PDB 4UQT . "Rrm-peptide Structure In Res Complex" . . . . . 100.00 93 100.00 100.00 1.08e-59 . . . . 25047 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 -4 GLY . 25047 1 2 -3 ALA . 25047 1 3 -2 MET . 25047 1 4 -1 GLY . 25047 1 5 25 ASN . 25047 1 6 26 GLU . 25047 1 7 27 TYR . 25047 1 8 28 LYS . 25047 1 9 29 ASP . 25047 1 10 30 ASN . 25047 1 11 31 ALA . 25047 1 12 32 TYR . 25047 1 13 33 ILE . 25047 1 14 34 TYR . 25047 1 15 35 ILE . 25047 1 16 36 GLY . 25047 1 17 37 ASN . 25047 1 18 38 LEU . 25047 1 19 39 ASN . 25047 1 20 40 ARG . 25047 1 21 41 GLU . 25047 1 22 42 LEU . 25047 1 23 43 THR . 25047 1 24 44 GLU . 25047 1 25 45 GLY . 25047 1 26 46 ASP . 25047 1 27 47 ILE . 25047 1 28 48 LEU . 25047 1 29 49 THR . 25047 1 30 50 VAL . 25047 1 31 51 PHE . 25047 1 32 52 SER . 25047 1 33 53 GLU . 25047 1 34 54 TYR . 25047 1 35 55 GLY . 25047 1 36 56 VAL . 25047 1 37 57 PRO . 25047 1 38 58 VAL . 25047 1 39 59 ASP . 25047 1 40 60 VAL . 25047 1 41 61 ILE . 25047 1 42 62 LEU . 25047 1 43 63 SER . 25047 1 44 64 ARG . 25047 1 45 65 ASP . 25047 1 46 66 GLU . 25047 1 47 67 ASN . 25047 1 48 68 THR . 25047 1 49 69 GLY . 25047 1 50 70 GLU . 25047 1 51 71 SER . 25047 1 52 72 GLN . 25047 1 53 73 GLY . 25047 1 54 74 PHE . 25047 1 55 75 ALA . 25047 1 56 76 TYR . 25047 1 57 77 LEU . 25047 1 58 78 LYS . 25047 1 59 79 TYR . 25047 1 60 80 GLU . 25047 1 61 81 ASP . 25047 1 62 82 GLN . 25047 1 63 83 ARG . 25047 1 64 84 SER . 25047 1 65 85 THR . 25047 1 66 86 ILE . 25047 1 67 87 LEU . 25047 1 68 88 ALA . 25047 1 69 89 VAL . 25047 1 70 90 ASP . 25047 1 71 91 ASN . 25047 1 72 92 LEU . 25047 1 73 93 ASN . 25047 1 74 94 GLY . 25047 1 75 95 PHE . 25047 1 76 96 LYS . 25047 1 77 97 ILE . 25047 1 78 98 GLY . 25047 1 79 99 GLY . 25047 1 80 100 ARG . 25047 1 81 101 ALA . 25047 1 82 102 LEU . 25047 1 83 103 LYS . 25047 1 84 104 ILE . 25047 1 85 105 ASP . 25047 1 86 106 HIS . 25047 1 87 107 THR . 25047 1 88 108 PHE . 25047 1 89 109 TYR . 25047 1 90 110 ARG . 25047 1 91 111 PRO . 25047 1 92 112 LYS . 25047 1 93 113 ARG . 25047 1 stop_ loop_ _Entity_poly_seq.Hetero _Entity_poly_seq.Mon_ID _Entity_poly_seq.Num _Entity_poly_seq.Comp_index_ID _Entity_poly_seq.Entry_ID _Entity_poly_seq.Entity_ID . GLY 1 1 25047 1 . ALA 2 2 25047 1 . MET 3 3 25047 1 . GLY 4 4 25047 1 . ASN 5 5 25047 1 . GLU 6 6 25047 1 . TYR 7 7 25047 1 . LYS 8 8 25047 1 . ASP 9 9 25047 1 . ASN 10 10 25047 1 . ALA 11 11 25047 1 . TYR 12 12 25047 1 . ILE 13 13 25047 1 . TYR 14 14 25047 1 . ILE 15 15 25047 1 . GLY 16 16 25047 1 . ASN 17 17 25047 1 . LEU 18 18 25047 1 . ASN 19 19 25047 1 . ARG 20 20 25047 1 . GLU 21 21 25047 1 . LEU 22 22 25047 1 . THR 23 23 25047 1 . GLU 24 24 25047 1 . GLY 25 25 25047 1 . ASP 26 26 25047 1 . ILE 27 27 25047 1 . LEU 28 28 25047 1 . THR 29 29 25047 1 . VAL 30 30 25047 1 . PHE 31 31 25047 1 . SER 32 32 25047 1 . GLU 33 33 25047 1 . TYR 34 34 25047 1 . GLY 35 35 25047 1 . VAL 36 36 25047 1 . PRO 37 37 25047 1 . VAL 38 38 25047 1 . ASP 39 39 25047 1 . VAL 40 40 25047 1 . ILE 41 41 25047 1 . LEU 42 42 25047 1 . SER 43 43 25047 1 . ARG 44 44 25047 1 . ASP 45 45 25047 1 . GLU 46 46 25047 1 . ASN 47 47 25047 1 . THR 48 48 25047 1 . GLY 49 49 25047 1 . GLU 50 50 25047 1 . SER 51 51 25047 1 . GLN 52 52 25047 1 . GLY 53 53 25047 1 . PHE 54 54 25047 1 . ALA 55 55 25047 1 . TYR 56 56 25047 1 . LEU 57 57 25047 1 . LYS 58 58 25047 1 . TYR 59 59 25047 1 . GLU 60 60 25047 1 . ASP 61 61 25047 1 . GLN 62 62 25047 1 . ARG 63 63 25047 1 . SER 64 64 25047 1 . THR 65 65 25047 1 . ILE 66 66 25047 1 . LEU 67 67 25047 1 . ALA 68 68 25047 1 . VAL 69 69 25047 1 . ASP 70 70 25047 1 . ASN 71 71 25047 1 . LEU 72 72 25047 1 . ASN 73 73 25047 1 . GLY 74 74 25047 1 . PHE 75 75 25047 1 . LYS 76 76 25047 1 . ILE 77 77 25047 1 . GLY 78 78 25047 1 . GLY 79 79 25047 1 . ARG 80 80 25047 1 . ALA 81 81 25047 1 . LEU 82 82 25047 1 . LYS 83 83 25047 1 . ILE 84 84 25047 1 . ASP 85 85 25047 1 . HIS 86 86 25047 1 . THR 87 87 25047 1 . PHE 88 88 25047 1 . TYR 89 89 25047 1 . ARG 90 90 25047 1 . PRO 91 91 25047 1 . LYS 92 92 25047 1 . ARG 93 93 25047 1 stop_ save_ save_RES _Entity.Sf_category entity _Entity.Sf_framecode RES _Entity.Entry_ID 25047 _Entity.ID 2 _Entity.BMRB_code . _Entity.Name RES _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID B _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; GAMGNRFAIMPGSRWDGVHR SNGFEEKWFAKQNEINEKK ; _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 39 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'not present' _Entity.Src_method . _Entity.Parent_entity_ID 2 _Entity.Fragment 'TRP-Containing Ligand, Residues 222-256' _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 4209.7028 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date 2015-01-29 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 yes UNP CWC26_YEAST . P46947 . . . . . . . . . . . . . . 25047 2 2 no PDB 4UQT . "Rrm-peptide Structure In Res Complex" . . . . . 100.00 39 100.00 100.00 4.46e-19 . . . . 25047 2 3 no DBJ GAA23224 . "K7_Bud13p [Saccharomyces cerevisiae Kyokai no. 7]" . . . . . 89.74 266 100.00 100.00 4.32e-15 . . . . 25047 2 4 no EMBL CAA59179 . "G1642 [Saccharomyces cerevisiae]" . . . . . 89.74 266 100.00 100.00 4.32e-15 . . . . 25047 2 5 no EMBL CAA96886 . "unnamed protein product [Saccharomyces cerevisiae]" . . . . . 89.74 266 100.00 100.00 4.32e-15 . . . . 25047 2 6 no EMBL CAY79593 . "Bud13p [Saccharomyces cerevisiae EC1118]" . . . . . 89.74 266 100.00 100.00 4.49e-15 . . . . 25047 2 7 no GB AAS56830 . "YGL174W [Saccharomyces cerevisiae]" . . . . . 89.74 266 100.00 100.00 4.32e-15 . . . . 25047 2 8 no GB AHY79214 . "Bud13p [Saccharomyces cerevisiae YJM993]" . . . . . 89.74 266 100.00 100.00 4.49e-15 . . . . 25047 2 9 no GB EDN61950 . "bud site selection protein [Saccharomyces cerevisiae YJM789]" . . . . . 89.74 266 100.00 100.00 4.49e-15 . . . . 25047 2 10 no GB EDV10384 . "hypothetical protein SCRG_01165 [Saccharomyces cerevisiae RM11-1a]" . . . . . 89.74 266 100.00 100.00 4.49e-15 . . . . 25047 2 11 no GB EDZ72293 . "YGL174Wp-like protein [Saccharomyces cerevisiae AWRI1631]" . . . . . 89.74 266 100.00 100.00 5.16e-15 . . . . 25047 2 12 no REF NP_011341 . "Bud13p [Saccharomyces cerevisiae S288c]" . . . . . 89.74 266 100.00 100.00 4.32e-15 . . . . 25047 2 13 no SP P46947 . "RecName: Full=Pre-mRNA-splicing factor CWC26; AltName: Full=Bud site selection protein 13; AltName: Full=Complexed with CEF1 pr" . . . . . 89.74 266 100.00 100.00 4.32e-15 . . . . 25047 2 14 no TPG DAA07939 . "TPA: Bud13p [Saccharomyces cerevisiae S288c]" . . . . . 89.74 266 100.00 100.00 4.32e-15 . . . . 25047 2 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 -4 GLY . 25047 2 2 -3 ALA . 25047 2 3 -2 MET . 25047 2 4 -1 GLY . 25047 2 5 222 ASN . 25047 2 6 223 ARG . 25047 2 7 224 PHE . 25047 2 8 225 ALA . 25047 2 9 226 ILE . 25047 2 10 227 MET . 25047 2 11 228 PRO . 25047 2 12 229 GLY . 25047 2 13 230 SER . 25047 2 14 231 ARG . 25047 2 15 232 TRP . 25047 2 16 233 ASP . 25047 2 17 234 GLY . 25047 2 18 235 VAL . 25047 2 19 236 HIS . 25047 2 20 237 ARG . 25047 2 21 238 SER . 25047 2 22 239 ASN . 25047 2 23 240 GLY . 25047 2 24 241 PHE . 25047 2 25 242 GLU . 25047 2 26 243 GLU . 25047 2 27 244 LYS . 25047 2 28 245 TRP . 25047 2 29 246 PHE . 25047 2 30 247 ALA . 25047 2 31 248 LYS . 25047 2 32 249 GLN . 25047 2 33 250 ASN . 25047 2 34 251 GLU . 25047 2 35 252 ILE . 25047 2 36 253 ASN . 25047 2 37 254 GLU . 25047 2 38 255 LYS . 25047 2 39 256 LYS . 25047 2 stop_ loop_ _Entity_poly_seq.Hetero _Entity_poly_seq.Mon_ID _Entity_poly_seq.Num _Entity_poly_seq.Comp_index_ID _Entity_poly_seq.Entry_ID _Entity_poly_seq.Entity_ID . GLY 1 1 25047 2 . ALA 2 2 25047 2 . MET 3 3 25047 2 . GLY 4 4 25047 2 . ASN 5 5 25047 2 . ARG 6 6 25047 2 . PHE 7 7 25047 2 . ALA 8 8 25047 2 . ILE 9 9 25047 2 . MET 10 10 25047 2 . PRO 11 11 25047 2 . GLY 12 12 25047 2 . SER 13 13 25047 2 . ARG 14 14 25047 2 . TRP 15 15 25047 2 . ASP 16 16 25047 2 . GLY 17 17 25047 2 . VAL 18 18 25047 2 . HIS 19 19 25047 2 . ARG 20 20 25047 2 . SER 21 21 25047 2 . ASN 22 22 25047 2 . GLY 23 23 25047 2 . PHE 24 24 25047 2 . GLU 25 25 25047 2 . GLU 26 26 25047 2 . LYS 27 27 25047 2 . TRP 28 28 25047 2 . PHE 29 29 25047 2 . ALA 30 30 25047 2 . LYS 31 31 25047 2 . GLN 32 32 25047 2 . ASN 33 33 25047 2 . GLU 34 34 25047 2 . ILE 35 35 25047 2 . ASN 36 36 25047 2 . GLU 37 37 25047 2 . LYS 38 38 25047 2 . LYS 39 39 25047 2 stop_ save_ #################### # Natural source # #################### save_natural_source _Entity_natural_src_list.Sf_category natural_source _Entity_natural_src_list.Sf_framecode natural_source _Entity_natural_src_list.Entry_ID 25047 _Entity_natural_src_list.ID 1 loop_ _Entity_natural_src.ID _Entity_natural_src.Entity_ID _Entity_natural_src.Entity_label _Entity_natural_src.Entity_chimera_segment_ID _Entity_natural_src.NCBI_taxonomy_ID _Entity_natural_src.Type _Entity_natural_src.Common _Entity_natural_src.Organism_name_scientific _Entity_natural_src.Organism_name_common _Entity_natural_src.Organism_acronym _Entity_natural_src.ICTVdb_decimal_code _Entity_natural_src.Superkingdom _Entity_natural_src.Kingdom _Entity_natural_src.Genus _Entity_natural_src.Species _Entity_natural_src.Strain _Entity_natural_src.Variant _Entity_natural_src.Subvariant _Entity_natural_src.Organ _Entity_natural_src.Tissue _Entity_natural_src.Tissue_fraction _Entity_natural_src.Cell_line _Entity_natural_src.Cell_type _Entity_natural_src.ATCC_number _Entity_natural_src.Organelle _Entity_natural_src.Cellular_location _Entity_natural_src.Fragment _Entity_natural_src.Fraction _Entity_natural_src.Secretion _Entity_natural_src.Plasmid _Entity_natural_src.Plasmid_details _Entity_natural_src.Gene_mnemonic _Entity_natural_src.Dev_stage _Entity_natural_src.Details _Entity_natural_src.Citation_ID _Entity_natural_src.Citation_label _Entity_natural_src.Entry_ID _Entity_natural_src.Entity_natural_src_list_ID 1 1 $RRM . 4932 organism . 'Saccharomyces cerevisiae' 'Baker's yeast' . . Eukaryota Fungi Saccharomyces cerevisiae . . . . . . . . . . . . . . . . . . . . . 25047 1 2 2 $RES . 4932 organism . 'Saccharomyces cerevisiae' 'Baker's yeast' . . Eukaryota Fungi Saccharomyces cerevisiae . . . . . . . . . . . . . . . . . . . . . 25047 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 25047 _Entity_experimental_src_list.ID 1 loop_ _Entity_experimental_src.ID _Entity_experimental_src.Entity_ID _Entity_experimental_src.Entity_label _Entity_experimental_src.Entity_chimera_segment_ID _Entity_experimental_src.Production_method _Entity_experimental_src.Host_org_scientific_name _Entity_experimental_src.Host_org_name_common _Entity_experimental_src.Host_org_details _Entity_experimental_src.Host_org_NCBI_taxonomy_ID _Entity_experimental_src.Host_org_genus _Entity_experimental_src.Host_org_species _Entity_experimental_src.Host_org_strain _Entity_experimental_src.Host_org_variant _Entity_experimental_src.Host_org_subvariant _Entity_experimental_src.Host_org_organ _Entity_experimental_src.Host_org_tissue _Entity_experimental_src.Host_org_tissue_fraction _Entity_experimental_src.Host_org_cell_line _Entity_experimental_src.Host_org_cell_type _Entity_experimental_src.Host_org_cellular_location _Entity_experimental_src.Host_org_organelle _Entity_experimental_src.Host_org_gene _Entity_experimental_src.Host_org_culture_collection _Entity_experimental_src.Host_org_ATCC_number _Entity_experimental_src.Vector_type _Entity_experimental_src.PDBview_host_org_vector_name _Entity_experimental_src.PDBview_plasmid_name _Entity_experimental_src.Vector_name _Entity_experimental_src.Vector_details _Entity_experimental_src.Vendor_name _Entity_experimental_src.Host_org_dev_stage _Entity_experimental_src.Details _Entity_experimental_src.Citation_ID _Entity_experimental_src.Citation_label _Entity_experimental_src.Entry_ID _Entity_experimental_src.Entity_experimental_src_list_ID 1 1 $RRM . 'recombinant technology' 'Escherichia coli' 'Escherichia coli' . 469008 Escherichia coli Bl21(DE3) 'Plyss 24D' . . . . . . . . . . . . . . na . . . . . . 25047 1 2 2 $RES . 'recombinant technology' 'Escherichia coli' 'Escherichia coli' . 469008 Escherichia coli Bl21(DE3) 'Plyss 24D' . . . . . . . . . . . . . . na . . . . . . 25047 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_new_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_new_1 _Sample.Entry_ID 25047 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details '0.5mM Snu17p-Bud13p stoichiometric complex' _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 RRM '[U-13C; U-15N]' . . 1 $RRM . . 0.5 . . mM . . . . 25047 1 2 RES '[U-13C; U-15N]' . . 2 $RES . . 0.5 . . mM . . . . 25047 1 3 H2O 'natural abundance' . . . . . . 93 . . % . . . . 25047 1 4 D2O '[U-100% 2H]' . . . . . . 7 . . % . . . . 25047 1 stop_ save_ ####################### # Sample conditions # ####################### save_sample_conditions_new_1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode sample_conditions_new_1 _Sample_condition_list.Entry_ID 25047 _Sample_condition_list.ID 1 _Sample_condition_list.Details 'pH [6.3], temp [298.0], pressure [1.0], ionStrength [25.0]' 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' 25.000 . mM 25047 1 pH 6.300 . pH 25047 1 pressure 1.000 . atm 25047 1 temperature 298.000 . K 25047 1 stop_ save_ ############################ # Computer software used # ############################ save_AutoDep _Software.Sf_category software _Software.Sf_framecode AutoDep _Software.Entry_ID 25047 _Software.ID 1 _Software.Name AutoDep _Software.Version 4.3 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID PDBe . . 25047 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' 25047 1 stop_ save_ save_CNS _Software.Sf_category software _Software.Sf_framecode CNS _Software.Entry_ID 25047 _Software.ID 2 _Software.Name CNS _Software.Version any _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Brunger, Adams, Clore, Gros, Nilges and Read' . . 25047 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' 25047 2 stop_ save_ save_CYANA _Software.Sf_category software _Software.Sf_framecode CYANA _Software.Entry_ID 25047 _Software.ID 3 _Software.Name CYANA _Software.Version any _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Guntert, Mumenthaler and Wuthrich' . . 25047 3 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' 25047 3 stop_ save_ save_CcpNmr_Analysis _Software.Sf_category software _Software.Sf_framecode CcpNmr_Analysis _Software.Entry_ID 25047 _Software.ID 4 _Software.Name CcpNmr_Analysis _Software.Version 2.1 _Software.Details 'The CCPN NMR assignment and data analysis application' loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID CCPN 'Department of Biochemistry, Cambridge CB2 1GA, UK' http://www.ccpn.ac.uk 25047 4 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' 25047 4 stop_ save_ save_TALOS _Software.Sf_category software _Software.Sf_framecode TALOS _Software.Entry_ID 25047 _Software.ID 5 _Software.Name TALOS _Software.Version any _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Cornilescu, Delaglio and Bax' . . 25047 5 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' 25047 5 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_1 _NMR_spectrometer.Entry_ID 25047 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer BRUKER _NMR_spectrometer.Model AVANCE _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 800 save_ 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 25047 _NMR_spectrometer_list.ID 1 loop_ _NMR_spectrometer_view.ID _NMR_spectrometer_view.Name _NMR_spectrometer_view.Manufacturer _NMR_spectrometer_view.Model _NMR_spectrometer_view.Serial_number _NMR_spectrometer_view.Field_strength _NMR_spectrometer_view.Details _NMR_spectrometer_view.Citation_ID _NMR_spectrometer_view.Citation_label _NMR_spectrometer_view.Entry_ID _NMR_spectrometer_view.NMR_spectrometer_list_ID 1 spectrometer_1 BRUKER AVANCE . 800 . . . 25047 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 25047 _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 '15N-EDITED 3D NOESY' no . . . . . . . . . . 1 $sample_new_1 solution . . 1 $sample_conditions_new_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 25047 1 2 '13C- EDITED 3D NOESY (ALIPHATICS)' no . . . . . . . . . . 1 $sample_new_1 solution . . 1 $sample_conditions_new_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 25047 1 3 '13C-EDITED 3D NOESY (AROMATICS)' no . . . . . . . . . . 1 $sample_new_1 solution . . 1 $sample_conditions_new_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 25047 1 4 '13C- EDITED 3D NOESY (ALIPHATICS) F1 15N/13C FILTERED' no . . . . . . . . . . 1 $sample_new_1 solution . . 1 $sample_conditions_new_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 25047 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 25047 _Chem_shift_reference.ID 1 _Chem_shift_reference.Details . loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Indirect_shift_ratio_cit_ID _Chem_shift_ref.Indirect_shift_ratio_cit_label _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Correction_val_cit_ID _Chem_shift_ref.Correction_val_cit_label _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID H 1 DSS 'methyl protons' . . . . ppm 0.00 internal direct 1.000000000 . . . . . . . . . 25047 1 C 13 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.251449530 . . . . . . . . . 25047 1 N 15 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.101329118 . . . . . . . . . 25047 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 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chem_shift_list _Assigned_chem_shift_list.Entry_ID 25047 _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_new_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 'Origin xeasy file /home/kostas/Bud13Snu17/PDBe/res/res.prot' _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 '15N-EDITED 3D NOESY' . . . 25047 1 2 '13C- EDITED 3D NOESY (ALIPHATICS)' . . . 25047 1 3 '13C-EDITED 3D NOESY (AROMATICS)' . . . 25047 1 4 '13C- EDITED 3D NOESY (ALIPHATICS) F1 15N/13C FILTERED' . . . 25047 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 5 5 ASN HA H 1 4.635 0.020 . 1 . 351 . . 25 ASN HA . 25047 1 2 . 1 1 5 5 ASN CA C 13 53.217 0.200 . 1 . 350 . . 25 ASN CA . 25047 1 3 . 1 1 6 6 GLU H H 1 8.403 0.008 . 1 . 353 . . 26 GLU H . 25047 1 4 . 1 1 6 6 GLU HA H 1 4.201 0.002 . 1 . 355 . . 26 GLU HA . 25047 1 5 . 1 1 6 6 GLU HB2 H 1 1.766 0.002 . 2 . 357 . . 26 GLU HB2 . 25047 1 6 . 1 1 6 6 GLU HB3 H 1 1.899 0.001 . 2 . 358 . . 26 GLU HB3 . 25047 1 7 . 1 1 6 6 GLU HG2 H 1 2.119 0.003 . 2 . 360 . . 26 GLU HG2 . 25047 1 8 . 1 1 6 6 GLU HG3 H 1 2.047 0.002 . 2 . 361 . . 26 GLU HG3 . 25047 1 9 . 1 1 6 6 GLU CA C 13 56.451 0.058 . 1 . 354 . . 26 GLU CA . 25047 1 10 . 1 1 6 6 GLU CB C 13 30.358 0.030 . 1 . 356 . . 26 GLU CB . 25047 1 11 . 1 1 6 6 GLU CG C 13 36.176 0.037 . 1 . 359 . . 26 GLU CG . 25047 1 12 . 1 1 6 6 GLU N N 15 121.869 0.011 . 1 . 352 . . 26 GLU N . 25047 1 13 . 1 1 7 7 TYR H H 1 8.158 0.003 . 1 . 363 . . 27 TYR H . 25047 1 14 . 1 1 7 7 TYR HA H 1 4.491 0.021 . 1 . 365 . . 27 TYR HA . 25047 1 15 . 1 1 7 7 TYR HB2 H 1 2.981 0.003 . 2 . 367 . . 27 TYR HB2 . 25047 1 16 . 1 1 7 7 TYR HB3 H 1 2.784 0.003 . 2 . 368 . . 27 TYR HB3 . 25047 1 17 . 1 1 7 7 TYR HD1 H 1 6.995 0.003 . 1 . 369 . . 27 TYR HD1 . 25047 1 18 . 1 1 7 7 TYR HD2 H 1 6.995 0.003 . 1 . 369 . . 27 TYR HD2 . 25047 1 19 . 1 1 7 7 TYR HE1 H 1 6.756 0.001 . 1 . 370 . . 27 TYR HE1 . 25047 1 20 . 1 1 7 7 TYR HE2 H 1 6.756 0.001 . 1 . 370 . . 27 TYR HE2 . 25047 1 21 . 1 1 7 7 TYR CA C 13 57.624 0.062 . 1 . 364 . . 27 TYR CA . 25047 1 22 . 1 1 7 7 TYR CB C 13 38.306 0.081 . 1 . 366 . . 27 TYR CB . 25047 1 23 . 1 1 7 7 TYR CD1 C 13 133.065 0.019 . 1 . 372 . . 27 TYR CD1 . 25047 1 24 . 1 1 7 7 TYR CD2 C 13 133.065 0.019 . 1 . 372 . . 27 TYR CD2 . 25047 1 25 . 1 1 7 7 TYR CE1 C 13 118.239 0.013 . 1 . 371 . . 27 TYR CE1 . 25047 1 26 . 1 1 7 7 TYR CE2 C 13 118.239 0.013 . 1 . 371 . . 27 TYR CE2 . 25047 1 27 . 1 1 7 7 TYR N N 15 120.922 0.011 . 1 . 362 . . 27 TYR N . 25047 1 28 . 1 1 8 8 LYS H H 1 7.955 0.002 . 1 . 374 . . 28 LYS H . 25047 1 29 . 1 1 8 8 LYS HA H 1 4.106 0.005 . 1 . 376 . . 28 LYS HA . 25047 1 30 . 1 1 8 8 LYS HB2 H 1 1.569 0.020 . 2 . 378 . . 28 LYS HB2 . 25047 1 31 . 1 1 8 8 LYS HB3 H 1 1.726 0.001 . 2 . 379 . . 28 LYS HB3 . 25047 1 32 . 1 1 8 8 LYS HG2 H 1 1.316 0.008 . 1 . 381 . . 28 LYS HG2 . 25047 1 33 . 1 1 8 8 LYS HG3 H 1 1.316 0.008 . 1 . 1213 . . 28 LYS HG3 . 25047 1 34 . 1 1 8 8 LYS HD2 H 1 1.575 0.020 . 1 . 383 . . 28 LYS HD2 . 25047 1 35 . 1 1 8 8 LYS HD3 H 1 1.575 0.020 . 1 . 1211 . . 28 LYS HD3 . 25047 1 36 . 1 1 8 8 LYS HE2 H 1 2.925 0.006 . 1 . 385 . . 28 LYS HE2 . 25047 1 37 . 1 1 8 8 LYS HE3 H 1 2.925 0.006 . 1 . 1212 . . 28 LYS HE3 . 25047 1 38 . 1 1 8 8 LYS CA C 13 56.396 0.049 . 1 . 375 . . 28 LYS CA . 25047 1 39 . 1 1 8 8 LYS CB C 13 33.156 0.021 . 1 . 377 . . 28 LYS CB . 25047 1 40 . 1 1 8 8 LYS CG C 13 24.590 0.027 . 1 . 380 . . 28 LYS CG . 25047 1 41 . 1 1 8 8 LYS CD C 13 29.001 0.067 . 1 . 382 . . 28 LYS CD . 25047 1 42 . 1 1 8 8 LYS CE C 13 42.123 0.002 . 1 . 384 . . 28 LYS CE . 25047 1 43 . 1 1 8 8 LYS N N 15 122.165 0.023 . 1 . 373 . . 28 LYS N . 25047 1 44 . 1 1 9 9 ASP H H 1 8.062 0.003 . 1 . 387 . . 29 ASP H . 25047 1 45 . 1 1 9 9 ASP HA H 1 4.508 0.003 . 1 . 389 . . 29 ASP HA . 25047 1 46 . 1 1 9 9 ASP HB2 H 1 2.649 0.020 . 2 . 391 . . 29 ASP HB2 . 25047 1 47 . 1 1 9 9 ASP HB3 H 1 2.692 0.001 . 2 . 392 . . 29 ASP HB3 . 25047 1 48 . 1 1 9 9 ASP CA C 13 54.234 0.003 . 1 . 388 . . 29 ASP CA . 25047 1 49 . 1 1 9 9 ASP CB C 13 41.103 0.033 . 1 . 390 . . 29 ASP CB . 25047 1 50 . 1 1 9 9 ASP N N 15 118.437 0.015 . 1 . 386 . . 29 ASP N . 25047 1 51 . 1 1 10 10 ASN H H 1 8.169 0.006 . 1 . 394 . . 30 ASN H . 25047 1 52 . 1 1 10 10 ASN HA H 1 4.637 0.020 . 1 . 396 . . 30 ASN HA . 25047 1 53 . 1 1 10 10 ASN HB2 H 1 2.671 0.020 . 1 . 398 . . 30 ASN HB2 . 25047 1 54 . 1 1 10 10 ASN HB3 H 1 2.671 0.020 . 1 . 1214 . . 30 ASN HB3 . 25047 1 55 . 1 1 10 10 ASN HD21 H 1 7.585 0.020 . 1 . 400 . . 30 ASN HD21 . 25047 1 56 . 1 1 10 10 ASN HD22 H 1 6.919 0.020 . 1 . 401 . . 30 ASN HD22 . 25047 1 57 . 1 1 10 10 ASN CA C 13 53.228 0.031 . 1 . 395 . . 30 ASN CA . 25047 1 58 . 1 1 10 10 ASN CB C 13 39.042 0.061 . 1 . 397 . . 30 ASN CB . 25047 1 59 . 1 1 10 10 ASN N N 15 118.300 0.020 . 1 . 393 . . 30 ASN N . 25047 1 60 . 1 1 10 10 ASN ND2 N 15 112.826 0.002 . 1 . 399 . . 30 ASN ND2 . 25047 1 61 . 1 1 11 11 ALA H H 1 8.487 0.010 . 1 . 403 . . 31 ALA H . 25047 1 62 . 1 1 11 11 ALA HA H 1 4.479 0.020 . 1 . 405 . . 31 ALA HA . 25047 1 63 . 1 1 11 11 ALA HB1 H 1 1.535 0.020 . 1 . 406 . . 31 ALA HB1 . 25047 1 64 . 1 1 11 11 ALA HB2 H 1 1.535 0.020 . 1 . 406 . . 31 ALA HB2 . 25047 1 65 . 1 1 11 11 ALA HB3 H 1 1.535 0.020 . 1 . 406 . . 31 ALA HB3 . 25047 1 66 . 1 1 11 11 ALA CA C 13 53.136 0.200 . 1 . 404 . . 31 ALA CA . 25047 1 67 . 1 1 11 11 ALA CB C 13 20.379 0.200 . 1 . 407 . . 31 ALA CB . 25047 1 68 . 1 1 11 11 ALA N N 15 124.197 0.015 . 1 . 402 . . 31 ALA N . 25047 1 69 . 1 1 12 12 TYR H H 1 8.416 0.015 . 1 . 409 . . 32 TYR H . 25047 1 70 . 1 1 12 12 TYR HA H 1 5.295 0.008 . 1 . 411 . . 32 TYR HA . 25047 1 71 . 1 1 12 12 TYR HB2 H 1 3.127 0.003 . 2 . 413 . . 32 TYR HB2 . 25047 1 72 . 1 1 12 12 TYR HB3 H 1 2.744 0.029 . 2 . 414 . . 32 TYR HB3 . 25047 1 73 . 1 1 12 12 TYR HD1 H 1 7.030 0.001 . 1 . 415 . . 32 TYR HD1 . 25047 1 74 . 1 1 12 12 TYR HD2 H 1 7.030 0.001 . 1 . 415 . . 32 TYR HD2 . 25047 1 75 . 1 1 12 12 TYR HE1 H 1 6.587 0.002 . 1 . 416 . . 32 TYR HE1 . 25047 1 76 . 1 1 12 12 TYR HE2 H 1 6.587 0.002 . 1 . 416 . . 32 TYR HE2 . 25047 1 77 . 1 1 12 12 TYR CA C 13 57.569 0.072 . 1 . 410 . . 32 TYR CA . 25047 1 78 . 1 1 12 12 TYR CB C 13 41.160 0.091 . 1 . 412 . . 32 TYR CB . 25047 1 79 . 1 1 12 12 TYR CD1 C 13 133.675 0.068 . 1 . 418 . . 32 TYR CD1 . 25047 1 80 . 1 1 12 12 TYR CD2 C 13 133.675 0.068 . 1 . 418 . . 32 TYR CD2 . 25047 1 81 . 1 1 12 12 TYR CE1 C 13 117.858 0.159 . 1 . 417 . . 32 TYR CE1 . 25047 1 82 . 1 1 12 12 TYR CE2 C 13 117.858 0.159 . 1 . 417 . . 32 TYR CE2 . 25047 1 83 . 1 1 12 12 TYR N N 15 115.066 0.027 . 1 . 408 . . 32 TYR N . 25047 1 84 . 1 1 13 13 ILE H H 1 9.142 0.012 . 1 . 420 . . 33 ILE H . 25047 1 85 . 1 1 13 13 ILE HA H 1 5.002 0.008 . 1 . 422 . . 33 ILE HA . 25047 1 86 . 1 1 13 13 ILE HB H 1 1.701 0.012 . 1 . 424 . . 33 ILE HB . 25047 1 87 . 1 1 13 13 ILE HG12 H 1 1.087 0.020 . 2 . 428 . . 33 ILE HG12 . 25047 1 88 . 1 1 13 13 ILE HG13 H 1 1.339 0.020 . 2 . 429 . . 33 ILE HG13 . 25047 1 89 . 1 1 13 13 ILE HG21 H 1 0.787 0.015 . 1 . 425 . . 33 ILE HG21 . 25047 1 90 . 1 1 13 13 ILE HG22 H 1 0.787 0.015 . 1 . 425 . . 33 ILE HG22 . 25047 1 91 . 1 1 13 13 ILE HG23 H 1 0.787 0.015 . 1 . 425 . . 33 ILE HG23 . 25047 1 92 . 1 1 13 13 ILE HD11 H 1 0.741 0.020 . 1 . 430 . . 33 ILE HD11 . 25047 1 93 . 1 1 13 13 ILE HD12 H 1 0.741 0.020 . 1 . 430 . . 33 ILE HD12 . 25047 1 94 . 1 1 13 13 ILE HD13 H 1 0.741 0.020 . 1 . 430 . . 33 ILE HD13 . 25047 1 95 . 1 1 13 13 ILE CA C 13 59.665 0.200 . 1 . 421 . . 33 ILE CA . 25047 1 96 . 1 1 13 13 ILE CB C 13 40.298 0.027 . 1 . 423 . . 33 ILE CB . 25047 1 97 . 1 1 13 13 ILE CG1 C 13 25.510 0.200 . 1 . 427 . . 33 ILE CG1 . 25047 1 98 . 1 1 13 13 ILE CG2 C 13 19.071 0.200 . 1 . 426 . . 33 ILE CG2 . 25047 1 99 . 1 1 13 13 ILE CD1 C 13 14.690 0.200 . 1 . 431 . . 33 ILE CD1 . 25047 1 100 . 1 1 13 13 ILE N N 15 111.851 0.037 . 1 . 419 . . 33 ILE N . 25047 1 101 . 1 1 14 14 TYR H H 1 9.119 0.007 . 1 . 433 . . 34 TYR H . 25047 1 102 . 1 1 14 14 TYR HA H 1 4.665 0.020 . 1 . 435 . . 34 TYR HA . 25047 1 103 . 1 1 14 14 TYR HB2 H 1 2.704 0.020 . 2 . 437 . . 34 TYR HB2 . 25047 1 104 . 1 1 14 14 TYR HB3 H 1 2.827 0.020 . 2 . 438 . . 34 TYR HB3 . 25047 1 105 . 1 1 14 14 TYR HD1 H 1 6.730 0.001 . 1 . 439 . . 34 TYR HD1 . 25047 1 106 . 1 1 14 14 TYR HD2 H 1 6.730 0.001 . 1 . 439 . . 34 TYR HD2 . 25047 1 107 . 1 1 14 14 TYR HE1 H 1 6.280 0.001 . 1 . 440 . . 34 TYR HE1 . 25047 1 108 . 1 1 14 14 TYR HE2 H 1 6.280 0.001 . 1 . 440 . . 34 TYR HE2 . 25047 1 109 . 1 1 14 14 TYR CA C 13 56.568 0.044 . 1 . 434 . . 34 TYR CA . 25047 1 110 . 1 1 14 14 TYR CB C 13 40.638 0.071 . 1 . 436 . . 34 TYR CB . 25047 1 111 . 1 1 14 14 TYR CD1 C 13 133.310 0.123 . 1 . 441 . . 34 TYR CD1 . 25047 1 112 . 1 1 14 14 TYR CD2 C 13 133.310 0.123 . 1 . 441 . . 34 TYR CD2 . 25047 1 113 . 1 1 14 14 TYR CE1 C 13 117.671 0.200 . 1 . 442 . . 34 TYR CE1 . 25047 1 114 . 1 1 14 14 TYR CE2 C 13 117.671 0.200 . 1 . 442 . . 34 TYR CE2 . 25047 1 115 . 1 1 14 14 TYR N N 15 123.326 0.032 . 1 . 432 . . 34 TYR N . 25047 1 116 . 1 1 15 15 ILE H H 1 8.392 0.020 . 1 . 444 . . 35 ILE H . 25047 1 117 . 1 1 15 15 ILE HA H 1 4.261 0.020 . 1 . 446 . . 35 ILE HA . 25047 1 118 . 1 1 15 15 ILE HB H 1 1.209 0.020 . 1 . 448 . . 35 ILE HB . 25047 1 119 . 1 1 15 15 ILE HG12 H 1 0.439 0.005 . 2 . 452 . . 35 ILE HG12 . 25047 1 120 . 1 1 15 15 ILE HG13 H 1 1.102 0.020 . 2 . 453 . . 35 ILE HG13 . 25047 1 121 . 1 1 15 15 ILE HG21 H 1 0.675 0.001 . 1 . 449 . . 35 ILE HG21 . 25047 1 122 . 1 1 15 15 ILE HG22 H 1 0.675 0.001 . 1 . 449 . . 35 ILE HG22 . 25047 1 123 . 1 1 15 15 ILE HG23 H 1 0.675 0.001 . 1 . 449 . . 35 ILE HG23 . 25047 1 124 . 1 1 15 15 ILE HD11 H 1 -0.289 0.006 . 1 . 454 . . 35 ILE HD11 . 25047 1 125 . 1 1 15 15 ILE HD12 H 1 -0.289 0.006 . 1 . 454 . . 35 ILE HD12 . 25047 1 126 . 1 1 15 15 ILE HD13 H 1 -0.289 0.006 . 1 . 454 . . 35 ILE HD13 . 25047 1 127 . 1 1 15 15 ILE CA C 13 59.505 0.010 . 1 . 445 . . 35 ILE CA . 25047 1 128 . 1 1 15 15 ILE CB C 13 40.110 0.034 . 1 . 447 . . 35 ILE CB . 25047 1 129 . 1 1 15 15 ILE CG1 C 13 26.075 0.060 . 1 . 451 . . 35 ILE CG1 . 25047 1 130 . 1 1 15 15 ILE CG2 C 13 18.850 0.004 . 1 . 450 . . 35 ILE CG2 . 25047 1 131 . 1 1 15 15 ILE CD1 C 13 15.111 0.200 . 1 . 455 . . 35 ILE CD1 . 25047 1 132 . 1 1 15 15 ILE N N 15 127.458 0.074 . 1 . 443 . . 35 ILE N . 25047 1 133 . 1 1 16 16 GLY H H 1 9.454 0.005 . 1 . 457 . . 36 GLY H . 25047 1 134 . 1 1 16 16 GLY HA2 H 1 4.772 0.020 . 2 . 459 . . 36 GLY HA2 . 25047 1 135 . 1 1 16 16 GLY HA3 H 1 3.615 0.014 . 2 . 460 . . 36 GLY HA3 . 25047 1 136 . 1 1 16 16 GLY CA C 13 43.169 0.062 . 1 . 458 . . 36 GLY CA . 25047 1 137 . 1 1 16 16 GLY N N 15 112.706 0.009 . 1 . 456 . . 36 GLY N . 25047 1 138 . 1 1 17 17 ASN H H 1 8.578 0.020 . 1 . 462 . . 37 ASN H . 25047 1 139 . 1 1 17 17 ASN HA H 1 4.430 0.005 . 1 . 464 . . 37 ASN HA . 25047 1 140 . 1 1 17 17 ASN HB2 H 1 2.414 0.020 . 1 . 466 . . 37 ASN HB2 . 25047 1 141 . 1 1 17 17 ASN HB3 H 1 2.414 0.020 . 1 . 1215 . . 37 ASN HB3 . 25047 1 142 . 1 1 17 17 ASN CA C 13 52.979 0.080 . 1 . 463 . . 37 ASN CA . 25047 1 143 . 1 1 17 17 ASN CB C 13 38.415 0.200 . 1 . 465 . . 37 ASN CB . 25047 1 144 . 1 1 17 17 ASN N N 15 115.112 0.200 . 1 . 461 . . 37 ASN N . 25047 1 145 . 1 1 18 18 LEU H H 1 7.854 0.013 . 1 . 468 . . 38 LEU H . 25047 1 146 . 1 1 18 18 LEU HA H 1 4.024 0.020 . 1 . 470 . . 38 LEU HA . 25047 1 147 . 1 1 18 18 LEU HB2 H 1 1.070 0.017 . 2 . 472 . . 38 LEU HB2 . 25047 1 148 . 1 1 18 18 LEU HB3 H 1 1.176 0.020 . 2 . 473 . . 38 LEU HB3 . 25047 1 149 . 1 1 18 18 LEU HG H 1 1.189 0.020 . 1 . 475 . . 38 LEU HG . 25047 1 150 . 1 1 18 18 LEU HD11 H 1 0.602 0.014 . 2 . 476 . . 38 LEU HD11 . 25047 1 151 . 1 1 18 18 LEU HD12 H 1 0.602 0.014 . 2 . 476 . . 38 LEU HD12 . 25047 1 152 . 1 1 18 18 LEU HD13 H 1 0.602 0.014 . 2 . 476 . . 38 LEU HD13 . 25047 1 153 . 1 1 18 18 LEU HD21 H 1 0.353 0.009 . 2 . 477 . . 38 LEU HD21 . 25047 1 154 . 1 1 18 18 LEU HD22 H 1 0.353 0.009 . 2 . 477 . . 38 LEU HD22 . 25047 1 155 . 1 1 18 18 LEU HD23 H 1 0.353 0.009 . 2 . 477 . . 38 LEU HD23 . 25047 1 156 . 1 1 18 18 LEU CA C 13 53.991 0.070 . 1 . 469 . . 38 LEU CA . 25047 1 157 . 1 1 18 18 LEU CB C 13 42.682 0.038 . 1 . 471 . . 38 LEU CB . 25047 1 158 . 1 1 18 18 LEU CG C 13 26.309 0.089 . 1 . 474 . . 38 LEU CG . 25047 1 159 . 1 1 18 18 LEU CD1 C 13 23.706 0.019 . 2 . 478 . . 38 LEU CD1 . 25047 1 160 . 1 1 18 18 LEU CD2 C 13 26.337 0.019 . 2 . 479 . . 38 LEU CD2 . 25047 1 161 . 1 1 18 18 LEU N N 15 115.390 0.064 . 1 . 467 . . 38 LEU N . 25047 1 162 . 1 1 19 19 ASN H H 1 8.740 0.003 . 1 . 481 . . 39 ASN H . 25047 1 163 . 1 1 19 19 ASN HA H 1 4.432 0.020 . 1 . 483 . . 39 ASN HA . 25047 1 164 . 1 1 19 19 ASN HB2 H 1 2.788 0.015 . 2 . 485 . . 39 ASN HB2 . 25047 1 165 . 1 1 19 19 ASN HB3 H 1 2.738 0.006 . 2 . 486 . . 39 ASN HB3 . 25047 1 166 . 1 1 19 19 ASN HD21 H 1 8.060 0.005 . 1 . 488 . . 39 ASN HD21 . 25047 1 167 . 1 1 19 19 ASN HD22 H 1 7.141 0.020 . 1 . 489 . . 39 ASN HD22 . 25047 1 168 . 1 1 19 19 ASN CA C 13 53.954 0.200 . 1 . 482 . . 39 ASN CA . 25047 1 169 . 1 1 19 19 ASN CB C 13 38.565 0.038 . 1 . 484 . . 39 ASN CB . 25047 1 170 . 1 1 19 19 ASN N N 15 122.561 0.055 . 1 . 480 . . 39 ASN N . 25047 1 171 . 1 1 19 19 ASN ND2 N 15 114.527 0.028 . 1 . 487 . . 39 ASN ND2 . 25047 1 172 . 1 1 20 20 ARG H H 1 8.981 0.002 . 1 . 491 . . 40 ARG H . 25047 1 173 . 1 1 20 20 ARG HA H 1 3.922 0.005 . 1 . 493 . . 40 ARG HA . 25047 1 174 . 1 1 20 20 ARG HB2 H 1 2.019 0.007 . 2 . 495 . . 40 ARG HB2 . 25047 1 175 . 1 1 20 20 ARG HB3 H 1 1.888 0.003 . 2 . 496 . . 40 ARG HB3 . 25047 1 176 . 1 1 20 20 ARG HG2 H 1 1.591 0.005 . 2 . 498 . . 40 ARG HG2 . 25047 1 177 . 1 1 20 20 ARG HG3 H 1 1.761 0.009 . 2 . 499 . . 40 ARG HG3 . 25047 1 178 . 1 1 20 20 ARG HD2 H 1 3.155 0.020 . 2 . 501 . . 40 ARG HD2 . 25047 1 179 . 1 1 20 20 ARG HD3 H 1 3.225 0.003 . 2 . 502 . . 40 ARG HD3 . 25047 1 180 . 1 1 20 20 ARG CA C 13 58.654 0.105 . 1 . 492 . . 40 ARG CA . 25047 1 181 . 1 1 20 20 ARG CB C 13 29.788 0.070 . 1 . 494 . . 40 ARG CB . 25047 1 182 . 1 1 20 20 ARG CG C 13 27.573 0.114 . 1 . 497 . . 40 ARG CG . 25047 1 183 . 1 1 20 20 ARG CD C 13 43.012 0.126 . 1 . 500 . . 40 ARG CD . 25047 1 184 . 1 1 20 20 ARG N N 15 125.995 0.017 . 1 . 490 . . 40 ARG N . 25047 1 185 . 1 1 21 21 GLU H H 1 8.896 0.016 . 1 . 504 . . 41 GLU H . 25047 1 186 . 1 1 21 21 GLU HA H 1 4.283 0.019 . 1 . 506 . . 41 GLU HA . 25047 1 187 . 1 1 21 21 GLU HB2 H 1 2.094 0.005 . 2 . 508 . . 41 GLU HB2 . 25047 1 188 . 1 1 21 21 GLU HB3 H 1 1.920 0.006 . 2 . 509 . . 41 GLU HB3 . 25047 1 189 . 1 1 21 21 GLU HG2 H 1 2.282 0.003 . 2 . 511 . . 41 GLU HG2 . 25047 1 190 . 1 1 21 21 GLU HG3 H 1 2.237 0.003 . 2 . 512 . . 41 GLU HG3 . 25047 1 191 . 1 1 21 21 GLU CA C 13 56.731 0.047 . 1 . 505 . . 41 GLU CA . 25047 1 192 . 1 1 21 21 GLU CB C 13 29.694 0.046 . 1 . 507 . . 41 GLU CB . 25047 1 193 . 1 1 21 21 GLU CG C 13 36.618 0.135 . 1 . 510 . . 41 GLU CG . 25047 1 194 . 1 1 21 21 GLU N N 15 117.149 0.013 . 1 . 503 . . 41 GLU N . 25047 1 195 . 1 1 22 22 LEU H H 1 7.317 0.005 . 1 . 514 . . 42 LEU H . 25047 1 196 . 1 1 22 22 LEU HA H 1 4.493 0.005 . 1 . 516 . . 42 LEU HA . 25047 1 197 . 1 1 22 22 LEU HB2 H 1 1.291 0.020 . 2 . 518 . . 42 LEU HB2 . 25047 1 198 . 1 1 22 22 LEU HB3 H 1 1.806 0.020 . 2 . 519 . . 42 LEU HB3 . 25047 1 199 . 1 1 22 22 LEU HG H 1 1.720 0.008 . 1 . 521 . . 42 LEU HG . 25047 1 200 . 1 1 22 22 LEU HD11 H 1 0.945 0.020 . 2 . 522 . . 42 LEU HD11 . 25047 1 201 . 1 1 22 22 LEU HD12 H 1 0.945 0.020 . 2 . 522 . . 42 LEU HD12 . 25047 1 202 . 1 1 22 22 LEU HD13 H 1 0.945 0.020 . 2 . 522 . . 42 LEU HD13 . 25047 1 203 . 1 1 22 22 LEU HD21 H 1 0.836 0.020 . 2 . 523 . . 42 LEU HD21 . 25047 1 204 . 1 1 22 22 LEU HD22 H 1 0.836 0.020 . 2 . 523 . . 42 LEU HD22 . 25047 1 205 . 1 1 22 22 LEU HD23 H 1 0.836 0.020 . 2 . 523 . . 42 LEU HD23 . 25047 1 206 . 1 1 22 22 LEU CA C 13 55.342 0.105 . 1 . 515 . . 42 LEU CA . 25047 1 207 . 1 1 22 22 LEU CB C 13 42.108 0.031 . 1 . 517 . . 42 LEU CB . 25047 1 208 . 1 1 22 22 LEU CG C 13 27.330 0.111 . 1 . 520 . . 42 LEU CG . 25047 1 209 . 1 1 22 22 LEU CD1 C 13 27.232 0.200 . 2 . 524 . . 42 LEU CD1 . 25047 1 210 . 1 1 22 22 LEU CD2 C 13 23.063 0.200 . 2 . 525 . . 42 LEU CD2 . 25047 1 211 . 1 1 22 22 LEU N N 15 119.944 0.041 . 1 . 513 . . 42 LEU N . 25047 1 212 . 1 1 23 23 THR H H 1 9.463 0.020 . 1 . 527 . . 43 THR H . 25047 1 213 . 1 1 23 23 THR HA H 1 4.413 0.003 . 1 . 529 . . 43 THR HA . 25047 1 214 . 1 1 23 23 THR HB H 1 4.448 0.020 . 1 . 531 . . 43 THR HB . 25047 1 215 . 1 1 23 23 THR HG21 H 1 1.414 0.020 . 1 . 532 . . 43 THR HG21 . 25047 1 216 . 1 1 23 23 THR HG22 H 1 1.414 0.020 . 1 . 532 . . 43 THR HG22 . 25047 1 217 . 1 1 23 23 THR HG23 H 1 1.414 0.020 . 1 . 532 . . 43 THR HG23 . 25047 1 218 . 1 1 23 23 THR CA C 13 59.951 0.049 . 1 . 528 . . 43 THR CA . 25047 1 219 . 1 1 23 23 THR CB C 13 73.005 0.200 . 1 . 530 . . 43 THR CB . 25047 1 220 . 1 1 23 23 THR CG2 C 13 21.770 0.200 . 1 . 533 . . 43 THR CG2 . 25047 1 221 . 1 1 23 23 THR N N 15 114.403 0.062 . 1 . 526 . . 43 THR N . 25047 1 222 . 1 1 24 24 GLU H H 1 10.382 0.031 . 1 . 535 . . 44 GLU H . 25047 1 223 . 1 1 24 24 GLU HA H 1 3.547 0.020 . 1 . 537 . . 44 GLU HA . 25047 1 224 . 1 1 24 24 GLU HG2 H 1 2.024 0.001 . 2 . 539 . . 44 GLU HG2 . 25047 1 225 . 1 1 24 24 GLU HG3 H 1 2.539 0.004 . 2 . 540 . . 44 GLU HG3 . 25047 1 226 . 1 1 24 24 GLU CA C 13 61.906 0.065 . 1 . 536 . . 44 GLU CA . 25047 1 227 . 1 1 24 24 GLU CG C 13 38.019 0.011 . 1 . 538 . . 44 GLU CG . 25047 1 228 . 1 1 24 24 GLU N N 15 120.357 0.200 . 1 . 534 . . 44 GLU N . 25047 1 229 . 1 1 25 25 GLY HA2 H 1 3.697 0.020 . 2 . 542 . . 45 GLY HA2 . 25047 1 230 . 1 1 25 25 GLY HA3 H 1 3.879 0.020 . 2 . 543 . . 45 GLY HA3 . 25047 1 231 . 1 1 25 25 GLY CA C 13 47.147 0.008 . 1 . 541 . . 45 GLY CA . 25047 1 232 . 1 1 26 26 ASP H H 1 7.484 0.020 . 1 . 545 . . 46 ASP H . 25047 1 233 . 1 1 26 26 ASP HA H 1 4.484 0.003 . 1 . 547 . . 46 ASP HA . 25047 1 234 . 1 1 26 26 ASP HB2 H 1 2.664 0.020 . 2 . 549 . . 46 ASP HB2 . 25047 1 235 . 1 1 26 26 ASP HB3 H 1 2.970 0.020 . 2 . 550 . . 46 ASP HB3 . 25047 1 236 . 1 1 26 26 ASP CA C 13 57.870 0.080 . 1 . 546 . . 46 ASP CA . 25047 1 237 . 1 1 26 26 ASP CB C 13 42.071 0.200 . 1 . 548 . . 46 ASP CB . 25047 1 238 . 1 1 26 26 ASP N N 15 122.709 0.055 . 1 . 544 . . 46 ASP N . 25047 1 239 . 1 1 27 27 ILE H H 1 7.808 0.014 . 1 . 552 . . 47 ILE H . 25047 1 240 . 1 1 27 27 ILE HA H 1 3.561 0.010 . 1 . 554 . . 47 ILE HA . 25047 1 241 . 1 1 27 27 ILE HB H 1 1.872 0.020 . 1 . 556 . . 47 ILE HB . 25047 1 242 . 1 1 27 27 ILE HG12 H 1 1.587 0.006 . 2 . 560 . . 47 ILE HG12 . 25047 1 243 . 1 1 27 27 ILE HG13 H 1 0.793 0.015 . 2 . 561 . . 47 ILE HG13 . 25047 1 244 . 1 1 27 27 ILE HG21 H 1 0.471 0.020 . 1 . 557 . . 47 ILE HG21 . 25047 1 245 . 1 1 27 27 ILE HG22 H 1 0.471 0.020 . 1 . 557 . . 47 ILE HG22 . 25047 1 246 . 1 1 27 27 ILE HG23 H 1 0.471 0.020 . 1 . 557 . . 47 ILE HG23 . 25047 1 247 . 1 1 27 27 ILE HD11 H 1 0.486 0.014 . 1 . 562 . . 47 ILE HD11 . 25047 1 248 . 1 1 27 27 ILE HD12 H 1 0.486 0.014 . 1 . 562 . . 47 ILE HD12 . 25047 1 249 . 1 1 27 27 ILE HD13 H 1 0.486 0.014 . 1 . 562 . . 47 ILE HD13 . 25047 1 250 . 1 1 27 27 ILE CA C 13 65.275 0.052 . 1 . 553 . . 47 ILE CA . 25047 1 251 . 1 1 27 27 ILE CB C 13 37.764 0.037 . 1 . 555 . . 47 ILE CB . 25047 1 252 . 1 1 27 27 ILE CG1 C 13 28.731 0.058 . 1 . 559 . . 47 ILE CG1 . 25047 1 253 . 1 1 27 27 ILE CG2 C 13 18.336 0.200 . 1 . 558 . . 47 ILE CG2 . 25047 1 254 . 1 1 27 27 ILE CD1 C 13 13.641 0.200 . 1 . 563 . . 47 ILE CD1 . 25047 1 255 . 1 1 27 27 ILE N N 15 118.611 0.021 . 1 . 551 . . 47 ILE N . 25047 1 256 . 1 1 28 28 LEU H H 1 8.775 0.003 . 1 . 565 . . 48 LEU H . 25047 1 257 . 1 1 28 28 LEU HA H 1 3.763 0.004 . 1 . 567 . . 48 LEU HA . 25047 1 258 . 1 1 28 28 LEU HB2 H 1 2.009 0.009 . 2 . 569 . . 48 LEU HB2 . 25047 1 259 . 1 1 28 28 LEU HB3 H 1 1.344 0.009 . 2 . 570 . . 48 LEU HB3 . 25047 1 260 . 1 1 28 28 LEU HG H 1 1.664 0.016 . 1 . 572 . . 48 LEU HG . 25047 1 261 . 1 1 28 28 LEU HD11 H 1 0.835 0.020 . 2 . 573 . . 48 LEU HD11 . 25047 1 262 . 1 1 28 28 LEU HD12 H 1 0.835 0.020 . 2 . 573 . . 48 LEU HD12 . 25047 1 263 . 1 1 28 28 LEU HD13 H 1 0.835 0.020 . 2 . 573 . . 48 LEU HD13 . 25047 1 264 . 1 1 28 28 LEU HD21 H 1 0.752 0.006 . 2 . 574 . . 48 LEU HD21 . 25047 1 265 . 1 1 28 28 LEU HD22 H 1 0.752 0.006 . 2 . 574 . . 48 LEU HD22 . 25047 1 266 . 1 1 28 28 LEU HD23 H 1 0.752 0.006 . 2 . 574 . . 48 LEU HD23 . 25047 1 267 . 1 1 28 28 LEU CA C 13 58.959 0.040 . 1 . 566 . . 48 LEU CA . 25047 1 268 . 1 1 28 28 LEU CB C 13 42.425 0.053 . 1 . 568 . . 48 LEU CB . 25047 1 269 . 1 1 28 28 LEU CG C 13 27.096 0.031 . 1 . 571 . . 48 LEU CG . 25047 1 270 . 1 1 28 28 LEU CD1 C 13 24.716 0.020 . 2 . 575 . . 48 LEU CD1 . 25047 1 271 . 1 1 28 28 LEU CD2 C 13 24.043 0.006 . 2 . 576 . . 48 LEU CD2 . 25047 1 272 . 1 1 28 28 LEU N N 15 119.850 0.024 . 1 . 564 . . 48 LEU N . 25047 1 273 . 1 1 29 29 THR H H 1 8.247 0.001 . 1 . 578 . . 49 THR H . 25047 1 274 . 1 1 29 29 THR HA H 1 4.029 0.005 . 1 . 580 . . 49 THR HA . 25047 1 275 . 1 1 29 29 THR HB H 1 4.434 0.014 . 1 . 582 . . 49 THR HB . 25047 1 276 . 1 1 29 29 THR HG21 H 1 1.410 0.020 . 1 . 583 . . 49 THR HG21 . 25047 1 277 . 1 1 29 29 THR HG22 H 1 1.410 0.020 . 1 . 583 . . 49 THR HG22 . 25047 1 278 . 1 1 29 29 THR HG23 H 1 1.410 0.020 . 1 . 583 . . 49 THR HG23 . 25047 1 279 . 1 1 29 29 THR CA C 13 67.041 0.004 . 1 . 579 . . 49 THR CA . 25047 1 280 . 1 1 29 29 THR CB C 13 69.068 0.027 . 1 . 581 . . 49 THR CB . 25047 1 281 . 1 1 29 29 THR CG2 C 13 21.869 0.007 . 1 . 584 . . 49 THR CG2 . 25047 1 282 . 1 1 29 29 THR N N 15 119.660 0.040 . 1 . 577 . . 49 THR N . 25047 1 283 . 1 1 30 30 VAL H H 1 7.633 0.002 . 1 . 586 . . 50 VAL H . 25047 1 284 . 1 1 30 30 VAL HA H 1 3.848 0.006 . 1 . 588 . . 50 VAL HA . 25047 1 285 . 1 1 30 30 VAL HB H 1 2.157 0.010 . 1 . 590 . . 50 VAL HB . 25047 1 286 . 1 1 30 30 VAL HG11 H 1 0.500 0.020 . 2 . 591 . . 50 VAL HG11 . 25047 1 287 . 1 1 30 30 VAL HG12 H 1 0.500 0.020 . 2 . 591 . . 50 VAL HG12 . 25047 1 288 . 1 1 30 30 VAL HG13 H 1 0.500 0.020 . 2 . 591 . . 50 VAL HG13 . 25047 1 289 . 1 1 30 30 VAL HG21 H 1 1.058 0.012 . 2 . 592 . . 50 VAL HG21 . 25047 1 290 . 1 1 30 30 VAL HG22 H 1 1.058 0.012 . 2 . 592 . . 50 VAL HG22 . 25047 1 291 . 1 1 30 30 VAL HG23 H 1 1.058 0.012 . 2 . 592 . . 50 VAL HG23 . 25047 1 292 . 1 1 30 30 VAL CA C 13 65.537 0.007 . 1 . 587 . . 50 VAL CA . 25047 1 293 . 1 1 30 30 VAL CB C 13 33.001 0.200 . 1 . 589 . . 50 VAL CB . 25047 1 294 . 1 1 30 30 VAL CG1 C 13 20.763 0.134 . 2 . 593 . . 50 VAL CG1 . 25047 1 295 . 1 1 30 30 VAL CG2 C 13 21.655 0.006 . 2 . 594 . . 50 VAL CG2 . 25047 1 296 . 1 1 30 30 VAL N N 15 117.803 0.033 . 1 . 585 . . 50 VAL N . 25047 1 297 . 1 1 31 31 PHE H H 1 8.962 0.016 . 1 . 596 . . 51 PHE H . 25047 1 298 . 1 1 31 31 PHE HA H 1 3.853 0.020 . 1 . 598 . . 51 PHE HA . 25047 1 299 . 1 1 31 31 PHE HB2 H 1 2.883 0.012 . 2 . 600 . . 51 PHE HB2 . 25047 1 300 . 1 1 31 31 PHE HB3 H 1 3.046 0.006 . 2 . 601 . . 51 PHE HB3 . 25047 1 301 . 1 1 31 31 PHE HD1 H 1 7.782 0.020 . 1 . 602 . . 51 PHE HD1 . 25047 1 302 . 1 1 31 31 PHE HD2 H 1 7.782 0.020 . 1 . 602 . . 51 PHE HD2 . 25047 1 303 . 1 1 31 31 PHE HE1 H 1 6.947 0.020 . 1 . 603 . . 51 PHE HE1 . 25047 1 304 . 1 1 31 31 PHE HE2 H 1 6.947 0.020 . 1 . 603 . . 51 PHE HE2 . 25047 1 305 . 1 1 31 31 PHE HZ H 1 7.146 0.020 . 1 . 605 . . 51 PHE HZ . 25047 1 306 . 1 1 31 31 PHE CA C 13 61.988 0.040 . 1 . 597 . . 51 PHE CA . 25047 1 307 . 1 1 31 31 PHE CB C 13 36.982 0.032 . 1 . 599 . . 51 PHE CB . 25047 1 308 . 1 1 31 31 PHE CD1 C 13 132.056 0.228 . 1 . 606 . . 51 PHE CD1 . 25047 1 309 . 1 1 31 31 PHE CD2 C 13 132.056 0.228 . 1 . 606 . . 51 PHE CD2 . 25047 1 310 . 1 1 31 31 PHE CE1 C 13 130.343 0.200 . 1 . 604 . . 51 PHE CE1 . 25047 1 311 . 1 1 31 31 PHE CE2 C 13 130.343 0.200 . 1 . 604 . . 51 PHE CE2 . 25047 1 312 . 1 1 31 31 PHE N N 15 113.891 0.048 . 1 . 595 . . 51 PHE N . 25047 1 313 . 1 1 32 32 SER H H 1 7.976 0.001 . 1 . 608 . . 52 SER H . 25047 1 314 . 1 1 32 32 SER HA H 1 5.378 0.020 . 1 . 610 . . 52 SER HA . 25047 1 315 . 1 1 32 32 SER HB2 H 1 4.046 0.017 . 1 . 612 . . 52 SER HB2 . 25047 1 316 . 1 1 32 32 SER HB3 H 1 4.046 0.017 . 1 . 1216 . . 52 SER HB3 . 25047 1 317 . 1 1 32 32 SER HG H 1 6.116 0.029 . 1 . 613 . . 52 SER HG . 25047 1 318 . 1 1 32 32 SER CA C 13 61.184 0.067 . 1 . 609 . . 52 SER CA . 25047 1 319 . 1 1 32 32 SER CB C 13 63.862 0.027 . 1 . 611 . . 52 SER CB . 25047 1 320 . 1 1 32 32 SER N N 15 118.797 0.014 . 1 . 607 . . 52 SER N . 25047 1 321 . 1 1 33 33 GLU H H 1 6.886 0.017 . 1 . 615 . . 53 GLU H . 25047 1 322 . 1 1 33 33 GLU HA H 1 2.154 0.036 . 1 . 617 . . 53 GLU HA . 25047 1 323 . 1 1 33 33 GLU HB2 H 1 0.609 0.018 . 1 . 619 . . 53 GLU HB2 . 25047 1 324 . 1 1 33 33 GLU HB3 H 1 0.609 0.018 . 1 . 1217 . . 53 GLU HB3 . 25047 1 325 . 1 1 33 33 GLU HG2 H 1 0.448 0.020 . 1 . 621 . . 53 GLU HG2 . 25047 1 326 . 1 1 33 33 GLU HG3 H 1 0.448 0.020 . 1 . 1218 . . 53 GLU HG3 . 25047 1 327 . 1 1 33 33 GLU CA C 13 59.362 0.136 . 1 . 616 . . 53 GLU CA . 25047 1 328 . 1 1 33 33 GLU CB C 13 27.992 0.077 . 1 . 618 . . 53 GLU CB . 25047 1 329 . 1 1 33 33 GLU CG C 13 34.838 0.010 . 1 . 620 . . 53 GLU CG . 25047 1 330 . 1 1 33 33 GLU N N 15 121.361 0.022 . 1 . 614 . . 53 GLU N . 25047 1 331 . 1 1 34 34 TYR H H 1 6.274 0.013 . 1 . 623 . . 54 TYR H . 25047 1 332 . 1 1 34 34 TYR HA H 1 4.110 0.009 . 1 . 625 . . 54 TYR HA . 25047 1 333 . 1 1 34 34 TYR HB2 H 1 2.200 0.005 . 2 . 627 . . 54 TYR HB2 . 25047 1 334 . 1 1 34 34 TYR HB3 H 1 3.401 0.006 . 2 . 628 . . 54 TYR HB3 . 25047 1 335 . 1 1 34 34 TYR HD1 H 1 6.628 0.002 . 1 . 629 . . 54 TYR HD1 . 25047 1 336 . 1 1 34 34 TYR HD2 H 1 6.628 0.002 . 1 . 629 . . 54 TYR HD2 . 25047 1 337 . 1 1 34 34 TYR HE1 H 1 6.502 0.014 . 1 . 630 . . 54 TYR HE1 . 25047 1 338 . 1 1 34 34 TYR HE2 H 1 6.502 0.014 . 1 . 630 . . 54 TYR HE2 . 25047 1 339 . 1 1 34 34 TYR HH H 1 8.244 0.004 . 1 . 633 . . 54 TYR HH . 25047 1 340 . 1 1 34 34 TYR CA C 13 57.046 0.050 . 1 . 624 . . 54 TYR CA . 25047 1 341 . 1 1 34 34 TYR CB C 13 38.926 0.182 . 1 . 626 . . 54 TYR CB . 25047 1 342 . 1 1 34 34 TYR CD1 C 13 131.898 0.076 . 1 . 632 . . 54 TYR CD1 . 25047 1 343 . 1 1 34 34 TYR CD2 C 13 131.898 0.076 . 1 . 632 . . 54 TYR CD2 . 25047 1 344 . 1 1 34 34 TYR CE1 C 13 117.693 0.238 . 1 . 631 . . 54 TYR CE1 . 25047 1 345 . 1 1 34 34 TYR CE2 C 13 117.693 0.238 . 1 . 631 . . 54 TYR CE2 . 25047 1 346 . 1 1 34 34 TYR N N 15 108.171 0.007 . 1 . 622 . . 54 TYR N . 25047 1 347 . 1 1 35 35 GLY H H 1 7.229 0.015 . 1 . 635 . . 55 GLY H . 25047 1 348 . 1 1 35 35 GLY HA2 H 1 3.662 0.009 . 2 . 637 . . 55 GLY HA2 . 25047 1 349 . 1 1 35 35 GLY HA3 H 1 4.161 0.020 . 2 . 638 . . 55 GLY HA3 . 25047 1 350 . 1 1 35 35 GLY CA C 13 44.483 0.065 . 1 . 636 . . 55 GLY CA . 25047 1 351 . 1 1 35 35 GLY N N 15 103.539 0.011 . 1 . 634 . . 55 GLY N . 25047 1 352 . 1 1 36 36 VAL H H 1 8.564 0.024 . 1 . 640 . . 56 VAL H . 25047 1 353 . 1 1 36 36 VAL HA H 1 4.517 0.010 . 1 . 642 . . 56 VAL HA . 25047 1 354 . 1 1 36 36 VAL HB H 1 2.072 0.020 . 1 . 644 . . 56 VAL HB . 25047 1 355 . 1 1 36 36 VAL HG11 H 1 0.877 0.006 . 2 . 645 . . 56 VAL HG11 . 25047 1 356 . 1 1 36 36 VAL HG12 H 1 0.877 0.006 . 2 . 645 . . 56 VAL HG12 . 25047 1 357 . 1 1 36 36 VAL HG13 H 1 0.877 0.006 . 2 . 645 . . 56 VAL HG13 . 25047 1 358 . 1 1 36 36 VAL HG21 H 1 1.011 0.020 . 2 . 646 . . 56 VAL HG21 . 25047 1 359 . 1 1 36 36 VAL HG22 H 1 1.011 0.020 . 2 . 646 . . 56 VAL HG22 . 25047 1 360 . 1 1 36 36 VAL HG23 H 1 1.011 0.020 . 2 . 646 . . 56 VAL HG23 . 25047 1 361 . 1 1 36 36 VAL CA C 13 59.806 0.152 . 1 . 641 . . 56 VAL CA . 25047 1 362 . 1 1 36 36 VAL CB C 13 33.898 0.207 . 1 . 643 . . 56 VAL CB . 25047 1 363 . 1 1 36 36 VAL CG1 C 13 20.944 0.200 . 2 . 647 . . 56 VAL CG1 . 25047 1 364 . 1 1 36 36 VAL CG2 C 13 21.015 0.200 . 2 . 648 . . 56 VAL CG2 . 25047 1 365 . 1 1 36 36 VAL N N 15 120.607 0.024 . 1 . 639 . . 56 VAL N . 25047 1 366 . 1 1 37 37 PRO HA H 1 4.485 0.012 . 1 . 651 . . 57 PRO HA . 25047 1 367 . 1 1 37 37 PRO HB2 H 1 1.578 0.009 . 2 . 653 . . 57 PRO HB2 . 25047 1 368 . 1 1 37 37 PRO HB3 H 1 1.639 0.015 . 2 . 654 . . 57 PRO HB3 . 25047 1 369 . 1 1 37 37 PRO HG2 H 1 1.906 0.020 . 2 . 656 . . 57 PRO HG2 . 25047 1 370 . 1 1 37 37 PRO HG3 H 1 1.414 0.020 . 2 . 657 . . 57 PRO HG3 . 25047 1 371 . 1 1 37 37 PRO HD2 H 1 3.638 0.012 . 1 . 658 . . 57 PRO HD2 . 25047 1 372 . 1 1 37 37 PRO HD3 H 1 3.638 0.012 . 1 . 1219 . . 57 PRO HD3 . 25047 1 373 . 1 1 37 37 PRO CA C 13 61.993 0.200 . 1 . 650 . . 57 PRO CA . 25047 1 374 . 1 1 37 37 PRO CB C 13 31.498 0.066 . 1 . 652 . . 57 PRO CB . 25047 1 375 . 1 1 37 37 PRO CG C 13 28.447 0.100 . 1 . 655 . . 57 PRO CG . 25047 1 376 . 1 1 37 37 PRO CD C 13 52.285 0.200 . 1 . 649 . . 57 PRO CD . 25047 1 377 . 1 1 38 38 VAL H H 1 9.108 0.012 . 1 . 660 . . 58 VAL H . 25047 1 378 . 1 1 38 38 VAL HA H 1 4.458 0.009 . 1 . 662 . . 58 VAL HA . 25047 1 379 . 1 1 38 38 VAL HB H 1 2.172 0.003 . 1 . 664 . . 58 VAL HB . 25047 1 380 . 1 1 38 38 VAL HG11 H 1 0.911 0.003 . 2 . 665 . . 58 VAL HG11 . 25047 1 381 . 1 1 38 38 VAL HG12 H 1 0.911 0.003 . 2 . 665 . . 58 VAL HG12 . 25047 1 382 . 1 1 38 38 VAL HG13 H 1 0.911 0.003 . 2 . 665 . . 58 VAL HG13 . 25047 1 383 . 1 1 38 38 VAL HG21 H 1 0.558 0.007 . 2 . 666 . . 58 VAL HG21 . 25047 1 384 . 1 1 38 38 VAL HG22 H 1 0.558 0.007 . 2 . 666 . . 58 VAL HG22 . 25047 1 385 . 1 1 38 38 VAL HG23 H 1 0.558 0.007 . 2 . 666 . . 58 VAL HG23 . 25047 1 386 . 1 1 38 38 VAL CA C 13 60.966 0.059 . 1 . 661 . . 58 VAL CA . 25047 1 387 . 1 1 38 38 VAL CB C 13 32.878 0.024 . 1 . 663 . . 58 VAL CB . 25047 1 388 . 1 1 38 38 VAL CG1 C 13 21.350 0.003 . 2 . 667 . . 58 VAL CG1 . 25047 1 389 . 1 1 38 38 VAL CG2 C 13 18.625 0.004 . 2 . 668 . . 58 VAL CG2 . 25047 1 390 . 1 1 38 38 VAL N N 15 118.511 0.016 . 1 . 659 . . 58 VAL N . 25047 1 391 . 1 1 39 39 ASP H H 1 7.296 0.016 . 1 . 670 . . 59 ASP H . 25047 1 392 . 1 1 39 39 ASP HA H 1 4.915 0.010 . 1 . 672 . . 59 ASP HA . 25047 1 393 . 1 1 39 39 ASP HB2 H 1 2.625 0.004 . 2 . 674 . . 59 ASP HB2 . 25047 1 394 . 1 1 39 39 ASP HB3 H 1 2.439 0.011 . 2 . 675 . . 59 ASP HB3 . 25047 1 395 . 1 1 39 39 ASP CA C 13 54.714 0.056 . 1 . 671 . . 59 ASP CA . 25047 1 396 . 1 1 39 39 ASP CB C 13 44.261 0.049 . 1 . 673 . . 59 ASP CB . 25047 1 397 . 1 1 39 39 ASP N N 15 119.569 0.041 . 1 . 669 . . 59 ASP N . 25047 1 398 . 1 1 40 40 VAL H H 1 8.116 0.003 . 1 . 677 . . 60 VAL H . 25047 1 399 . 1 1 40 40 VAL HA H 1 4.694 0.003 . 1 . 679 . . 60 VAL HA . 25047 1 400 . 1 1 40 40 VAL HB H 1 1.910 0.005 . 1 . 681 . . 60 VAL HB . 25047 1 401 . 1 1 40 40 VAL HG11 H 1 0.747 0.020 . 2 . 682 . . 60 VAL HG11 . 25047 1 402 . 1 1 40 40 VAL HG12 H 1 0.747 0.020 . 2 . 682 . . 60 VAL HG12 . 25047 1 403 . 1 1 40 40 VAL HG13 H 1 0.747 0.020 . 2 . 682 . . 60 VAL HG13 . 25047 1 404 . 1 1 40 40 VAL HG21 H 1 0.692 0.001 . 2 . 683 . . 60 VAL HG21 . 25047 1 405 . 1 1 40 40 VAL HG22 H 1 0.692 0.001 . 2 . 683 . . 60 VAL HG22 . 25047 1 406 . 1 1 40 40 VAL HG23 H 1 0.692 0.001 . 2 . 683 . . 60 VAL HG23 . 25047 1 407 . 1 1 40 40 VAL CA C 13 61.174 0.200 . 1 . 678 . . 60 VAL CA . 25047 1 408 . 1 1 40 40 VAL CB C 13 34.344 0.004 . 1 . 680 . . 60 VAL CB . 25047 1 409 . 1 1 40 40 VAL CG1 C 13 20.106 0.022 . 2 . 684 . . 60 VAL CG1 . 25047 1 410 . 1 1 40 40 VAL CG2 C 13 21.445 0.004 . 2 . 685 . . 60 VAL CG2 . 25047 1 411 . 1 1 40 40 VAL N N 15 123.888 0.015 . 1 . 676 . . 60 VAL N . 25047 1 412 . 1 1 41 41 ILE H H 1 9.011 0.009 . 1 . 687 . . 61 ILE H . 25047 1 413 . 1 1 41 41 ILE HA H 1 4.330 0.004 . 1 . 689 . . 61 ILE HA . 25047 1 414 . 1 1 41 41 ILE HB H 1 1.844 0.005 . 1 . 691 . . 61 ILE HB . 25047 1 415 . 1 1 41 41 ILE HG12 H 1 1.095 0.008 . 2 . 695 . . 61 ILE HG12 . 25047 1 416 . 1 1 41 41 ILE HG13 H 1 1.409 0.020 . 2 . 696 . . 61 ILE HG13 . 25047 1 417 . 1 1 41 41 ILE HG21 H 1 0.861 0.005 . 1 . 692 . . 61 ILE HG21 . 25047 1 418 . 1 1 41 41 ILE HG22 H 1 0.861 0.005 . 1 . 692 . . 61 ILE HG22 . 25047 1 419 . 1 1 41 41 ILE HG23 H 1 0.861 0.005 . 1 . 692 . . 61 ILE HG23 . 25047 1 420 . 1 1 41 41 ILE HD11 H 1 0.830 0.020 . 1 . 697 . . 61 ILE HD11 . 25047 1 421 . 1 1 41 41 ILE HD12 H 1 0.830 0.020 . 1 . 697 . . 61 ILE HD12 . 25047 1 422 . 1 1 41 41 ILE HD13 H 1 0.830 0.020 . 1 . 697 . . 61 ILE HD13 . 25047 1 423 . 1 1 41 41 ILE CA C 13 60.096 0.200 . 1 . 688 . . 61 ILE CA . 25047 1 424 . 1 1 41 41 ILE CB C 13 40.956 0.059 . 1 . 690 . . 61 ILE CB . 25047 1 425 . 1 1 41 41 ILE CG1 C 13 27.649 0.031 . 1 . 694 . . 61 ILE CG1 . 25047 1 426 . 1 1 41 41 ILE CG2 C 13 17.911 0.200 . 1 . 693 . . 61 ILE CG2 . 25047 1 427 . 1 1 41 41 ILE CD1 C 13 15.117 0.005 . 1 . 698 . . 61 ILE CD1 . 25047 1 428 . 1 1 41 41 ILE N N 15 128.091 0.065 . 1 . 686 . . 61 ILE N . 25047 1 429 . 1 1 42 42 LEU H H 1 8.987 0.023 . 1 . 700 . . 62 LEU H . 25047 1 430 . 1 1 42 42 LEU HA H 1 4.368 0.020 . 1 . 702 . . 62 LEU HA . 25047 1 431 . 1 1 42 42 LEU HB2 H 1 1.874 0.009 . 2 . 704 . . 62 LEU HB2 . 25047 1 432 . 1 1 42 42 LEU HB3 H 1 0.813 0.020 . 2 . 705 . . 62 LEU HB3 . 25047 1 433 . 1 1 42 42 LEU HG H 1 1.250 0.008 . 1 . 707 . . 62 LEU HG . 25047 1 434 . 1 1 42 42 LEU HD11 H 1 0.617 0.020 . 2 . 708 . . 62 LEU HD11 . 25047 1 435 . 1 1 42 42 LEU HD12 H 1 0.617 0.020 . 2 . 708 . . 62 LEU HD12 . 25047 1 436 . 1 1 42 42 LEU HD13 H 1 0.617 0.020 . 2 . 708 . . 62 LEU HD13 . 25047 1 437 . 1 1 42 42 LEU HD21 H 1 0.703 0.020 . 2 . 709 . . 62 LEU HD21 . 25047 1 438 . 1 1 42 42 LEU HD22 H 1 0.703 0.020 . 2 . 709 . . 62 LEU HD22 . 25047 1 439 . 1 1 42 42 LEU HD23 H 1 0.703 0.020 . 2 . 709 . . 62 LEU HD23 . 25047 1 440 . 1 1 42 42 LEU CA C 13 53.818 0.104 . 1 . 701 . . 62 LEU CA . 25047 1 441 . 1 1 42 42 LEU CB C 13 44.206 0.083 . 1 . 703 . . 62 LEU CB . 25047 1 442 . 1 1 42 42 LEU CG C 13 27.435 0.070 . 1 . 706 . . 62 LEU CG . 25047 1 443 . 1 1 42 42 LEU CD1 C 13 23.468 0.041 . 2 . 710 . . 62 LEU CD1 . 25047 1 444 . 1 1 42 42 LEU CD2 C 13 25.967 0.005 . 2 . 711 . . 62 LEU CD2 . 25047 1 445 . 1 1 42 42 LEU N N 15 130.231 0.025 . 1 . 699 . . 62 LEU N . 25047 1 446 . 1 1 43 43 SER H H 1 8.063 0.020 . 1 . 713 . . 63 SER H . 25047 1 447 . 1 1 43 43 SER HA H 1 4.066 0.020 . 1 . 715 . . 63 SER HA . 25047 1 448 . 1 1 43 43 SER HB2 H 1 2.728 0.020 . 2 . 717 . . 63 SER HB2 . 25047 1 449 . 1 1 43 43 SER HB3 H 1 2.768 0.020 . 2 . 718 . . 63 SER HB3 . 25047 1 450 . 1 1 43 43 SER CA C 13 59.247 0.200 . 1 . 714 . . 63 SER CA . 25047 1 451 . 1 1 43 43 SER CB C 13 62.772 0.065 . 1 . 716 . . 63 SER CB . 25047 1 452 . 1 1 43 43 SER N N 15 122.398 0.020 . 1 . 712 . . 63 SER N . 25047 1 453 . 1 1 44 44 ARG H H 1 8.165 0.020 . 1 . 720 . . 64 ARG H . 25047 1 454 . 1 1 44 44 ARG HA H 1 4.871 0.003 . 1 . 722 . . 64 ARG HA . 25047 1 455 . 1 1 44 44 ARG HB2 H 1 1.206 0.011 . 2 . 724 . . 64 ARG HB2 . 25047 1 456 . 1 1 44 44 ARG HB3 H 1 1.421 0.020 . 2 . 725 . . 64 ARG HB3 . 25047 1 457 . 1 1 44 44 ARG HG2 H 1 1.194 0.020 . 1 . 727 . . 64 ARG HG2 . 25047 1 458 . 1 1 44 44 ARG HG3 H 1 1.194 0.020 . 1 . 1220 . . 64 ARG HG3 . 25047 1 459 . 1 1 44 44 ARG HD2 H 1 3.035 0.008 . 2 . 729 . . 64 ARG HD2 . 25047 1 460 . 1 1 44 44 ARG HD3 H 1 3.186 0.011 . 2 . 730 . . 64 ARG HD3 . 25047 1 461 . 1 1 44 44 ARG CA C 13 54.309 0.036 . 1 . 721 . . 64 ARG CA . 25047 1 462 . 1 1 44 44 ARG CB C 13 34.014 0.068 . 1 . 723 . . 64 ARG CB . 25047 1 463 . 1 1 44 44 ARG CG C 13 28.187 0.006 . 1 . 726 . . 64 ARG CG . 25047 1 464 . 1 1 44 44 ARG CD C 13 43.154 0.039 . 1 . 728 . . 64 ARG CD . 25047 1 465 . 1 1 44 44 ARG N N 15 125.574 0.039 . 1 . 719 . . 64 ARG N . 25047 1 466 . 1 1 45 45 ASP H H 1 8.596 0.015 . 1 . 732 . . 65 ASP H . 25047 1 467 . 1 1 45 45 ASP HA H 1 4.418 0.001 . 1 . 734 . . 65 ASP HA . 25047 1 468 . 1 1 45 45 ASP HB2 H 1 2.587 0.006 . 2 . 736 . . 65 ASP HB2 . 25047 1 469 . 1 1 45 45 ASP HB3 H 1 2.991 0.005 . 2 . 737 . . 65 ASP HB3 . 25047 1 470 . 1 1 45 45 ASP CA C 13 54.692 0.019 . 1 . 733 . . 65 ASP CA . 25047 1 471 . 1 1 45 45 ASP CB C 13 43.179 0.029 . 1 . 735 . . 65 ASP CB . 25047 1 472 . 1 1 45 45 ASP N N 15 123.192 0.049 . 1 . 731 . . 65 ASP N . 25047 1 473 . 1 1 46 46 GLU H H 1 9.339 0.005 . 1 . 739 . . 66 GLU H . 25047 1 474 . 1 1 46 46 GLU HA H 1 4.022 0.004 . 1 . 741 . . 66 GLU HA . 25047 1 475 . 1 1 46 46 GLU HB2 H 1 2.062 0.009 . 1 . 743 . . 66 GLU HB2 . 25047 1 476 . 1 1 46 46 GLU HB3 H 1 2.062 0.009 . 1 . 1221 . . 66 GLU HB3 . 25047 1 477 . 1 1 46 46 GLU HG2 H 1 2.311 0.020 . 1 . 745 . . 66 GLU HG2 . 25047 1 478 . 1 1 46 46 GLU HG3 H 1 2.311 0.020 . 1 . 1222 . . 66 GLU HG3 . 25047 1 479 . 1 1 46 46 GLU CA C 13 59.032 0.035 . 1 . 740 . . 66 GLU CA . 25047 1 480 . 1 1 46 46 GLU CB C 13 29.777 0.009 . 1 . 742 . . 66 GLU CB . 25047 1 481 . 1 1 46 46 GLU CG C 13 36.059 0.073 . 1 . 744 . . 66 GLU CG . 25047 1 482 . 1 1 46 46 GLU N N 15 128.022 0.022 . 1 . 738 . . 66 GLU N . 25047 1 483 . 1 1 47 47 ASN H H 1 8.854 0.004 . 1 . 747 . . 67 ASN H . 25047 1 484 . 1 1 47 47 ASN HA H 1 4.785 0.001 . 1 . 749 . . 67 ASN HA . 25047 1 485 . 1 1 47 47 ASN HB2 H 1 2.984 0.020 . 2 . 751 . . 67 ASN HB2 . 25047 1 486 . 1 1 47 47 ASN HB3 H 1 2.803 0.020 . 2 . 752 . . 67 ASN HB3 . 25047 1 487 . 1 1 47 47 ASN HD21 H 1 7.947 0.004 . 1 . 754 . . 67 ASN HD21 . 25047 1 488 . 1 1 47 47 ASN HD22 H 1 7.069 0.001 . 1 . 755 . . 67 ASN HD22 . 25047 1 489 . 1 1 47 47 ASN CA C 13 55.270 0.200 . 1 . 748 . . 67 ASN CA . 25047 1 490 . 1 1 47 47 ASN CB C 13 39.784 0.035 . 1 . 750 . . 67 ASN CB . 25047 1 491 . 1 1 47 47 ASN N N 15 115.977 0.022 . 1 . 746 . . 67 ASN N . 25047 1 492 . 1 1 47 47 ASN ND2 N 15 115.232 0.049 . 1 . 753 . . 67 ASN ND2 . 25047 1 493 . 1 1 48 48 THR H H 1 8.516 0.015 . 1 . 757 . . 68 THR H . 25047 1 494 . 1 1 48 48 THR HA H 1 4.444 0.003 . 1 . 759 . . 68 THR HA . 25047 1 495 . 1 1 48 48 THR HB H 1 4.394 0.007 . 1 . 761 . . 68 THR HB . 25047 1 496 . 1 1 48 48 THR HG21 H 1 1.185 0.001 . 1 . 762 . . 68 THR HG21 . 25047 1 497 . 1 1 48 48 THR HG22 H 1 1.185 0.001 . 1 . 762 . . 68 THR HG22 . 25047 1 498 . 1 1 48 48 THR HG23 H 1 1.185 0.001 . 1 . 762 . . 68 THR HG23 . 25047 1 499 . 1 1 48 48 THR CA C 13 61.725 0.015 . 1 . 758 . . 68 THR CA . 25047 1 500 . 1 1 48 48 THR CB C 13 71.072 0.037 . 1 . 760 . . 68 THR CB . 25047 1 501 . 1 1 48 48 THR CG2 C 13 21.115 0.200 . 1 . 763 . . 68 THR CG2 . 25047 1 502 . 1 1 48 48 THR N N 15 108.290 0.031 . 1 . 756 . . 68 THR N . 25047 1 503 . 1 1 49 49 GLY H H 1 8.276 0.002 . 1 . 765 . . 69 GLY H . 25047 1 504 . 1 1 49 49 GLY HA2 H 1 3.784 0.020 . 2 . 767 . . 69 GLY HA2 . 25047 1 505 . 1 1 49 49 GLY HA3 H 1 4.193 0.020 . 2 . 768 . . 69 GLY HA3 . 25047 1 506 . 1 1 49 49 GLY CA C 13 45.608 0.016 . 1 . 766 . . 69 GLY CA . 25047 1 507 . 1 1 49 49 GLY N N 15 110.962 0.021 . 1 . 764 . . 69 GLY N . 25047 1 508 . 1 1 50 50 GLU H H 1 7.877 0.002 . 1 . 770 . . 70 GLU H . 25047 1 509 . 1 1 50 50 GLU HA H 1 4.141 0.001 . 1 . 772 . . 70 GLU HA . 25047 1 510 . 1 1 50 50 GLU HB2 H 1 1.861 0.020 . 2 . 774 . . 70 GLU HB2 . 25047 1 511 . 1 1 50 50 GLU HB3 H 1 1.998 0.020 . 2 . 775 . . 70 GLU HB3 . 25047 1 512 . 1 1 50 50 GLU HG2 H 1 2.285 0.001 . 1 . 777 . . 70 GLU HG2 . 25047 1 513 . 1 1 50 50 GLU HG3 H 1 2.285 0.001 . 1 . 1223 . . 70 GLU HG3 . 25047 1 514 . 1 1 50 50 GLU CA C 13 56.508 0.025 . 1 . 771 . . 70 GLU CA . 25047 1 515 . 1 1 50 50 GLU CB C 13 30.853 0.037 . 1 . 773 . . 70 GLU CB . 25047 1 516 . 1 1 50 50 GLU CG C 13 36.240 0.005 . 1 . 776 . . 70 GLU CG . 25047 1 517 . 1 1 50 50 GLU N N 15 120.351 0.072 . 1 . 769 . . 70 GLU N . 25047 1 518 . 1 1 51 51 SER H H 1 9.030 0.003 . 1 . 779 . . 71 SER H . 25047 1 519 . 1 1 51 51 SER HA H 1 4.383 0.008 . 1 . 781 . . 71 SER HA . 25047 1 520 . 1 1 51 51 SER HB2 H 1 3.958 0.008 . 2 . 783 . . 71 SER HB2 . 25047 1 521 . 1 1 51 51 SER HB3 H 1 4.033 0.005 . 2 . 784 . . 71 SER HB3 . 25047 1 522 . 1 1 51 51 SER CA C 13 58.254 0.200 . 1 . 780 . . 71 SER CA . 25047 1 523 . 1 1 51 51 SER CB C 13 64.323 0.078 . 1 . 782 . . 71 SER CB . 25047 1 524 . 1 1 51 51 SER N N 15 117.698 0.053 . 1 . 778 . . 71 SER N . 25047 1 525 . 1 1 52 52 GLN H H 1 8.939 0.026 . 1 . 786 . . 72 GLN H . 25047 1 526 . 1 1 52 52 GLN HA H 1 4.516 0.015 . 1 . 788 . . 72 GLN HA . 25047 1 527 . 1 1 52 52 GLN HB2 H 1 1.508 0.009 . 2 . 790 . . 72 GLN HB2 . 25047 1 528 . 1 1 52 52 GLN HB3 H 1 2.422 0.003 . 2 . 791 . . 72 GLN HB3 . 25047 1 529 . 1 1 52 52 GLN HG2 H 1 2.203 0.005 . 2 . 793 . . 72 GLN HG2 . 25047 1 530 . 1 1 52 52 GLN HG3 H 1 2.296 0.009 . 2 . 794 . . 72 GLN HG3 . 25047 1 531 . 1 1 52 52 GLN HE21 H 1 7.497 0.002 . 1 . 796 . . 72 GLN HE21 . 25047 1 532 . 1 1 52 52 GLN HE22 H 1 6.956 0.001 . 1 . 797 . . 72 GLN HE22 . 25047 1 533 . 1 1 52 52 GLN CA C 13 55.226 0.064 . 1 . 787 . . 72 GLN CA . 25047 1 534 . 1 1 52 52 GLN CB C 13 29.483 0.106 . 1 . 789 . . 72 GLN CB . 25047 1 535 . 1 1 52 52 GLN CG C 13 34.657 0.055 . 1 . 792 . . 72 GLN CG . 25047 1 536 . 1 1 52 52 GLN N N 15 122.982 0.018 . 1 . 785 . . 72 GLN N . 25047 1 537 . 1 1 52 52 GLN NE2 N 15 112.077 0.042 . 1 . 795 . . 72 GLN NE2 . 25047 1 538 . 1 1 53 53 GLY H H 1 8.880 0.004 . 1 . 799 . . 73 GLY H . 25047 1 539 . 1 1 53 53 GLY HA2 H 1 3.532 0.020 . 2 . 801 . . 73 GLY HA2 . 25047 1 540 . 1 1 53 53 GLY HA3 H 1 4.177 0.020 . 2 . 802 . . 73 GLY HA3 . 25047 1 541 . 1 1 53 53 GLY CA C 13 46.299 0.013 . 1 . 800 . . 73 GLY CA . 25047 1 542 . 1 1 53 53 GLY N N 15 106.230 0.028 . 1 . 798 . . 73 GLY N . 25047 1 543 . 1 1 54 54 PHE H H 1 6.927 0.020 . 1 . 804 . . 74 PHE H . 25047 1 544 . 1 1 54 54 PHE HA H 1 5.413 0.008 . 1 . 806 . . 74 PHE HA . 25047 1 545 . 1 1 54 54 PHE HB2 H 1 2.637 0.023 . 2 . 808 . . 74 PHE HB2 . 25047 1 546 . 1 1 54 54 PHE HB3 H 1 3.088 0.012 . 2 . 809 . . 74 PHE HB3 . 25047 1 547 . 1 1 54 54 PHE HD1 H 1 6.749 0.008 . 1 . 810 . . 74 PHE HD1 . 25047 1 548 . 1 1 54 54 PHE HD2 H 1 6.749 0.008 . 1 . 810 . . 74 PHE HD2 . 25047 1 549 . 1 1 54 54 PHE HE1 H 1 7.306 0.006 . 1 . 811 . . 74 PHE HE1 . 25047 1 550 . 1 1 54 54 PHE HE2 H 1 7.306 0.006 . 1 . 811 . . 74 PHE HE2 . 25047 1 551 . 1 1 54 54 PHE HZ H 1 6.849 0.002 . 1 . 814 . . 74 PHE HZ . 25047 1 552 . 1 1 54 54 PHE CA C 13 55.234 0.007 . 1 . 805 . . 74 PHE CA . 25047 1 553 . 1 1 54 54 PHE CB C 13 41.128 0.197 . 1 . 807 . . 74 PHE CB . 25047 1 554 . 1 1 54 54 PHE CD1 C 13 132.709 0.114 . 1 . 815 . . 74 PHE CD1 . 25047 1 555 . 1 1 54 54 PHE CD2 C 13 132.709 0.114 . 1 . 815 . . 74 PHE CD2 . 25047 1 556 . 1 1 54 54 PHE CE1 C 13 131.296 0.200 . 1 . 812 . . 74 PHE CE1 . 25047 1 557 . 1 1 54 54 PHE CE2 C 13 131.296 0.200 . 1 . 812 . . 74 PHE CE2 . 25047 1 558 . 1 1 54 54 PHE CZ C 13 129.105 0.098 . 1 . 813 . . 74 PHE CZ . 25047 1 559 . 1 1 54 54 PHE N N 15 112.348 0.030 . 1 . 803 . . 74 PHE N . 25047 1 560 . 1 1 55 55 ALA H H 1 9.101 0.016 . 1 . 817 . . 75 ALA H . 25047 1 561 . 1 1 55 55 ALA HA H 1 4.987 0.020 . 1 . 819 . . 75 ALA HA . 25047 1 562 . 1 1 55 55 ALA HB1 H 1 0.889 0.020 . 1 . 820 . . 75 ALA HB1 . 25047 1 563 . 1 1 55 55 ALA HB2 H 1 0.889 0.020 . 1 . 820 . . 75 ALA HB2 . 25047 1 564 . 1 1 55 55 ALA HB3 H 1 0.889 0.020 . 1 . 820 . . 75 ALA HB3 . 25047 1 565 . 1 1 55 55 ALA CA C 13 49.428 0.200 . 1 . 818 . . 75 ALA CA . 25047 1 566 . 1 1 55 55 ALA CB C 13 24.905 0.200 . 1 . 821 . . 75 ALA CB . 25047 1 567 . 1 1 55 55 ALA N N 15 121.911 0.015 . 1 . 816 . . 75 ALA N . 25047 1 568 . 1 1 56 56 TYR H H 1 8.484 0.005 . 1 . 823 . . 76 TYR H . 25047 1 569 . 1 1 56 56 TYR HA H 1 5.638 0.005 . 1 . 825 . . 76 TYR HA . 25047 1 570 . 1 1 56 56 TYR HB2 H 1 2.766 0.012 . 2 . 827 . . 76 TYR HB2 . 25047 1 571 . 1 1 56 56 TYR HB3 H 1 2.324 0.020 . 2 . 828 . . 76 TYR HB3 . 25047 1 572 . 1 1 56 56 TYR HD1 H 1 6.772 0.004 . 1 . 829 . . 76 TYR HD1 . 25047 1 573 . 1 1 56 56 TYR HD2 H 1 6.772 0.004 . 1 . 829 . . 76 TYR HD2 . 25047 1 574 . 1 1 56 56 TYR HE1 H 1 6.584 0.020 . 1 . 830 . . 76 TYR HE1 . 25047 1 575 . 1 1 56 56 TYR HE2 H 1 6.584 0.020 . 1 . 830 . . 76 TYR HE2 . 25047 1 576 . 1 1 56 56 TYR CA C 13 55.992 0.003 . 1 . 824 . . 76 TYR CA . 25047 1 577 . 1 1 56 56 TYR CB C 13 42.539 0.165 . 1 . 826 . . 76 TYR CB . 25047 1 578 . 1 1 56 56 TYR CD1 C 13 132.838 0.200 . 1 . 832 . . 76 TYR CD1 . 25047 1 579 . 1 1 56 56 TYR CD2 C 13 132.838 0.200 . 1 . 832 . . 76 TYR CD2 . 25047 1 580 . 1 1 56 56 TYR CE1 C 13 117.703 0.200 . 1 . 831 . . 76 TYR CE1 . 25047 1 581 . 1 1 56 56 TYR CE2 C 13 117.703 0.200 . 1 . 831 . . 76 TYR CE2 . 25047 1 582 . 1 1 56 56 TYR N N 15 114.462 0.036 . 1 . 822 . . 76 TYR N . 25047 1 583 . 1 1 57 57 LEU H H 1 8.513 0.020 . 1 . 834 . . 77 LEU H . 25047 1 584 . 1 1 57 57 LEU HA H 1 5.117 0.012 . 1 . 836 . . 77 LEU HA . 25047 1 585 . 1 1 57 57 LEU HB2 H 1 1.046 0.023 . 2 . 838 . . 77 LEU HB2 . 25047 1 586 . 1 1 57 57 LEU HB3 H 1 0.881 0.009 . 2 . 839 . . 77 LEU HB3 . 25047 1 587 . 1 1 57 57 LEU HG H 1 1.325 0.001 . 1 . 841 . . 77 LEU HG . 25047 1 588 . 1 1 57 57 LEU HD11 H 1 0.167 0.007 . 2 . 842 . . 77 LEU HD11 . 25047 1 589 . 1 1 57 57 LEU HD12 H 1 0.167 0.007 . 2 . 842 . . 77 LEU HD12 . 25047 1 590 . 1 1 57 57 LEU HD13 H 1 0.167 0.007 . 2 . 842 . . 77 LEU HD13 . 25047 1 591 . 1 1 57 57 LEU HD21 H 1 -0.372 0.011 . 2 . 843 . . 77 LEU HD21 . 25047 1 592 . 1 1 57 57 LEU HD22 H 1 -0.372 0.011 . 2 . 843 . . 77 LEU HD22 . 25047 1 593 . 1 1 57 57 LEU HD23 H 1 -0.372 0.011 . 2 . 843 . . 77 LEU HD23 . 25047 1 594 . 1 1 57 57 LEU CA C 13 54.423 0.072 . 1 . 835 . . 77 LEU CA . 25047 1 595 . 1 1 57 57 LEU CB C 13 46.873 0.115 . 1 . 837 . . 77 LEU CB . 25047 1 596 . 1 1 57 57 LEU CG C 13 26.422 0.123 . 1 . 840 . . 77 LEU CG . 25047 1 597 . 1 1 57 57 LEU CD1 C 13 27.292 0.027 . 2 . 844 . . 77 LEU CD1 . 25047 1 598 . 1 1 57 57 LEU CD2 C 13 24.525 0.010 . 2 . 845 . . 77 LEU CD2 . 25047 1 599 . 1 1 57 57 LEU N N 15 122.850 0.017 . 1 . 833 . . 77 LEU N . 25047 1 600 . 1 1 58 58 LYS H H 1 8.443 0.006 . 1 . 847 . . 78 LYS H . 25047 1 601 . 1 1 58 58 LYS HA H 1 4.547 0.020 . 1 . 849 . . 78 LYS HA . 25047 1 602 . 1 1 58 58 LYS HB2 H 1 0.919 0.011 . 2 . 851 . . 78 LYS HB2 . 25047 1 603 . 1 1 58 58 LYS HB3 H 1 0.178 0.009 . 2 . 852 . . 78 LYS HB3 . 25047 1 604 . 1 1 58 58 LYS HD2 H 1 1.335 0.012 . 2 . 854 . . 78 LYS HD2 . 25047 1 605 . 1 1 58 58 LYS HD3 H 1 1.115 0.019 . 2 . 855 . . 78 LYS HD3 . 25047 1 606 . 1 1 58 58 LYS HE2 H 1 2.720 0.003 . 1 . 857 . . 78 LYS HE2 . 25047 1 607 . 1 1 58 58 LYS HE3 H 1 2.720 0.003 . 1 . 1224 . . 78 LYS HE3 . 25047 1 608 . 1 1 58 58 LYS CA C 13 54.350 0.082 . 1 . 848 . . 78 LYS CA . 25047 1 609 . 1 1 58 58 LYS CB C 13 36.491 0.089 . 1 . 850 . . 78 LYS CB . 25047 1 610 . 1 1 58 58 LYS CD C 13 29.602 0.038 . 1 . 853 . . 78 LYS CD . 25047 1 611 . 1 1 58 58 LYS CE C 13 42.214 0.025 . 1 . 856 . . 78 LYS CE . 25047 1 612 . 1 1 58 58 LYS N N 15 126.547 0.017 . 1 . 846 . . 78 LYS N . 25047 1 613 . 1 1 59 59 TYR H H 1 9.069 0.020 . 1 . 859 . . 79 TYR H . 25047 1 614 . 1 1 59 59 TYR HA H 1 5.052 0.020 . 1 . 861 . . 79 TYR HA . 25047 1 615 . 1 1 59 59 TYR HB2 H 1 3.144 0.039 . 2 . 863 . . 79 TYR HB2 . 25047 1 616 . 1 1 59 59 TYR HB3 H 1 2.566 0.020 . 2 . 864 . . 79 TYR HB3 . 25047 1 617 . 1 1 59 59 TYR HD1 H 1 6.569 0.020 . 1 . 865 . . 79 TYR HD1 . 25047 1 618 . 1 1 59 59 TYR HD2 H 1 6.569 0.020 . 1 . 865 . . 79 TYR HD2 . 25047 1 619 . 1 1 59 59 TYR HE1 H 1 6.289 0.020 . 1 . 866 . . 79 TYR HE1 . 25047 1 620 . 1 1 59 59 TYR HE2 H 1 6.289 0.020 . 1 . 866 . . 79 TYR HE2 . 25047 1 621 . 1 1 59 59 TYR HH H 1 8.952 0.002 . 1 . 869 . . 79 TYR HH . 25047 1 622 . 1 1 59 59 TYR CA C 13 58.046 0.127 . 1 . 860 . . 79 TYR CA . 25047 1 623 . 1 1 59 59 TYR CB C 13 42.610 0.019 . 1 . 862 . . 79 TYR CB . 25047 1 624 . 1 1 59 59 TYR CD1 C 13 133.898 0.036 . 1 . 868 . . 79 TYR CD1 . 25047 1 625 . 1 1 59 59 TYR CD2 C 13 133.898 0.036 . 1 . 868 . . 79 TYR CD2 . 25047 1 626 . 1 1 59 59 TYR CE1 C 13 117.902 0.028 . 1 . 867 . . 79 TYR CE1 . 25047 1 627 . 1 1 59 59 TYR CE2 C 13 117.902 0.028 . 1 . 867 . . 79 TYR CE2 . 25047 1 628 . 1 1 59 59 TYR N N 15 126.950 0.089 . 1 . 858 . . 79 TYR N . 25047 1 629 . 1 1 60 60 GLU H H 1 8.854 0.003 . 1 . 871 . . 80 GLU H . 25047 1 630 . 1 1 60 60 GLU HA H 1 3.881 0.004 . 1 . 873 . . 80 GLU HA . 25047 1 631 . 1 1 60 60 GLU HB2 H 1 2.015 0.020 . 2 . 875 . . 80 GLU HB2 . 25047 1 632 . 1 1 60 60 GLU HB3 H 1 2.115 0.001 . 2 . 876 . . 80 GLU HB3 . 25047 1 633 . 1 1 60 60 GLU HG2 H 1 2.195 0.020 . 1 . 878 . . 80 GLU HG2 . 25047 1 634 . 1 1 60 60 GLU HG3 H 1 2.195 0.020 . 1 . 1225 . . 80 GLU HG3 . 25047 1 635 . 1 1 60 60 GLU CA C 13 59.066 0.200 . 1 . 872 . . 80 GLU CA . 25047 1 636 . 1 1 60 60 GLU CB C 13 31.180 0.067 . 1 . 874 . . 80 GLU CB . 25047 1 637 . 1 1 60 60 GLU CG C 13 36.481 0.200 . 1 . 877 . . 80 GLU CG . 25047 1 638 . 1 1 60 60 GLU N N 15 120.278 0.022 . 1 . 870 . . 80 GLU N . 25047 1 639 . 1 1 61 61 ASP H H 1 8.002 0.020 . 1 . 880 . . 81 ASP H . 25047 1 640 . 1 1 61 61 ASP HA H 1 4.807 0.020 . 1 . 882 . . 81 ASP HA . 25047 1 641 . 1 1 61 61 ASP HB2 H 1 2.393 0.020 . 2 . 884 . . 81 ASP HB2 . 25047 1 642 . 1 1 61 61 ASP HB3 H 1 2.977 0.020 . 2 . 885 . . 81 ASP HB3 . 25047 1 643 . 1 1 61 61 ASP CA C 13 51.465 0.200 . 1 . 881 . . 81 ASP CA . 25047 1 644 . 1 1 61 61 ASP CB C 13 42.980 0.088 . 1 . 883 . . 81 ASP CB . 25047 1 645 . 1 1 61 61 ASP N N 15 117.660 0.060 . 1 . 879 . . 81 ASP N . 25047 1 646 . 1 1 62 62 GLN H H 1 9.019 0.007 . 1 . 887 . . 82 GLN H . 25047 1 647 . 1 1 62 62 GLN HA H 1 4.262 0.004 . 1 . 889 . . 82 GLN HA . 25047 1 648 . 1 1 62 62 GLN HB2 H 1 2.094 0.013 . 2 . 891 . . 82 GLN HB2 . 25047 1 649 . 1 1 62 62 GLN HB3 H 1 2.116 0.002 . 2 . 892 . . 82 GLN HB3 . 25047 1 650 . 1 1 62 62 GLN HG2 H 1 2.404 0.005 . 2 . 894 . . 82 GLN HG2 . 25047 1 651 . 1 1 62 62 GLN HG3 H 1 2.483 0.007 . 2 . 895 . . 82 GLN HG3 . 25047 1 652 . 1 1 62 62 GLN HE21 H 1 7.363 0.020 . 1 . 897 . . 82 GLN HE21 . 25047 1 653 . 1 1 62 62 GLN HE22 H 1 6.611 0.005 . 1 . 898 . . 82 GLN HE22 . 25047 1 654 . 1 1 62 62 GLN CA C 13 58.706 0.200 . 1 . 888 . . 82 GLN CA . 25047 1 655 . 1 1 62 62 GLN CB C 13 27.724 0.041 . 1 . 890 . . 82 GLN CB . 25047 1 656 . 1 1 62 62 GLN CG C 13 33.432 0.022 . 1 . 893 . . 82 GLN CG . 25047 1 657 . 1 1 62 62 GLN N N 15 126.569 0.031 . 1 . 886 . . 82 GLN N . 25047 1 658 . 1 1 62 62 GLN NE2 N 15 110.768 0.023 . 1 . 896 . . 82 GLN NE2 . 25047 1 659 . 1 1 63 63 ARG H H 1 8.792 0.005 . 1 . 900 . . 83 ARG H . 25047 1 660 . 1 1 63 63 ARG HA H 1 3.574 0.013 . 1 . 902 . . 83 ARG HA . 25047 1 661 . 1 1 63 63 ARG HB2 H 1 0.552 0.031 . 2 . 904 . . 83 ARG HB2 . 25047 1 662 . 1 1 63 63 ARG HB3 H 1 1.132 0.010 . 2 . 905 . . 83 ARG HB3 . 25047 1 663 . 1 1 63 63 ARG HG2 H 1 1.423 0.020 . 1 . 907 . . 83 ARG HG2 . 25047 1 664 . 1 1 63 63 ARG HG3 H 1 1.423 0.020 . 1 . 1227 . . 83 ARG HG3 . 25047 1 665 . 1 1 63 63 ARG HD2 H 1 2.938 0.020 . 1 . 909 . . 83 ARG HD2 . 25047 1 666 . 1 1 63 63 ARG HD3 H 1 2.938 0.020 . 1 . 1226 . . 83 ARG HD3 . 25047 1 667 . 1 1 63 63 ARG HE H 1 7.316 0.020 . 1 . 911 . . 83 ARG HE . 25047 1 668 . 1 1 63 63 ARG CA C 13 58.850 0.102 . 1 . 901 . . 83 ARG CA . 25047 1 669 . 1 1 63 63 ARG CB C 13 28.555 0.104 . 1 . 903 . . 83 ARG CB . 25047 1 670 . 1 1 63 63 ARG CG C 13 25.389 0.200 . 1 . 906 . . 83 ARG CG . 25047 1 671 . 1 1 63 63 ARG CD C 13 43.148 0.200 . 1 . 908 . . 83 ARG CD . 25047 1 672 . 1 1 63 63 ARG N N 15 120.391 0.039 . 1 . 899 . . 83 ARG N . 25047 1 673 . 1 1 63 63 ARG NE N 15 82.577 0.065 . 1 . 910 . . 83 ARG NE . 25047 1 674 . 1 1 64 64 SER H H 1 8.198 0.022 . 1 . 913 . . 84 SER H . 25047 1 675 . 1 1 64 64 SER HA H 1 3.655 0.016 . 1 . 915 . . 84 SER HA . 25047 1 676 . 1 1 64 64 SER HB2 H 1 3.123 0.001 . 2 . 917 . . 84 SER HB2 . 25047 1 677 . 1 1 64 64 SER HB3 H 1 1.770 0.003 . 2 . 918 . . 84 SER HB3 . 25047 1 678 . 1 1 64 64 SER HG H 1 5.763 0.020 . 1 . 919 . . 84 SER HG . 25047 1 679 . 1 1 64 64 SER CA C 13 63.552 0.201 . 1 . 914 . . 84 SER CA . 25047 1 680 . 1 1 64 64 SER CB C 13 61.967 0.052 . 1 . 916 . . 84 SER CB . 25047 1 681 . 1 1 64 64 SER N N 15 114.891 0.033 . 1 . 912 . . 84 SER N . 25047 1 682 . 1 1 65 65 THR H H 1 7.719 0.004 . 1 . 921 . . 85 THR H . 25047 1 683 . 1 1 65 65 THR HA H 1 3.726 0.001 . 1 . 923 . . 85 THR HA . 25047 1 684 . 1 1 65 65 THR HB H 1 4.112 0.004 . 1 . 925 . . 85 THR HB . 25047 1 685 . 1 1 65 65 THR HG21 H 1 1.591 0.001 . 1 . 926 . . 85 THR HG21 . 25047 1 686 . 1 1 65 65 THR HG22 H 1 1.591 0.001 . 1 . 926 . . 85 THR HG22 . 25047 1 687 . 1 1 65 65 THR HG23 H 1 1.591 0.001 . 1 . 926 . . 85 THR HG23 . 25047 1 688 . 1 1 65 65 THR CA C 13 66.055 0.090 . 1 . 922 . . 85 THR CA . 25047 1 689 . 1 1 65 65 THR CB C 13 68.451 0.085 . 1 . 924 . . 85 THR CB . 25047 1 690 . 1 1 65 65 THR CG2 C 13 23.248 0.015 . 1 . 927 . . 85 THR CG2 . 25047 1 691 . 1 1 65 65 THR N N 15 110.975 0.018 . 1 . 920 . . 85 THR N . 25047 1 692 . 1 1 66 66 ILE H H 1 6.655 0.010 . 1 . 929 . . 86 ILE H . 25047 1 693 . 1 1 66 66 ILE HA H 1 3.626 0.014 . 1 . 931 . . 86 ILE HA . 25047 1 694 . 1 1 66 66 ILE HB H 1 2.177 0.011 . 1 . 933 . . 86 ILE HB . 25047 1 695 . 1 1 66 66 ILE HG12 H 1 1.131 0.006 . 2 . 937 . . 86 ILE HG12 . 25047 1 696 . 1 1 66 66 ILE HG13 H 1 1.624 0.010 . 2 . 938 . . 86 ILE HG13 . 25047 1 697 . 1 1 66 66 ILE HG21 H 1 0.919 0.014 . 1 . 934 . . 86 ILE HG21 . 25047 1 698 . 1 1 66 66 ILE HG22 H 1 0.919 0.014 . 1 . 934 . . 86 ILE HG22 . 25047 1 699 . 1 1 66 66 ILE HG23 H 1 0.919 0.014 . 1 . 934 . . 86 ILE HG23 . 25047 1 700 . 1 1 66 66 ILE HD11 H 1 0.904 0.020 . 1 . 939 . . 86 ILE HD11 . 25047 1 701 . 1 1 66 66 ILE HD12 H 1 0.904 0.020 . 1 . 939 . . 86 ILE HD12 . 25047 1 702 . 1 1 66 66 ILE HD13 H 1 0.904 0.020 . 1 . 939 . . 86 ILE HD13 . 25047 1 703 . 1 1 66 66 ILE CA C 13 64.362 0.065 . 1 . 930 . . 86 ILE CA . 25047 1 704 . 1 1 66 66 ILE CB C 13 38.857 0.087 . 1 . 932 . . 86 ILE CB . 25047 1 705 . 1 1 66 66 ILE CG1 C 13 28.695 0.061 . 1 . 936 . . 86 ILE CG1 . 25047 1 706 . 1 1 66 66 ILE CG2 C 13 17.164 0.021 . 1 . 935 . . 86 ILE CG2 . 25047 1 707 . 1 1 66 66 ILE CD1 C 13 13.948 0.006 . 1 . 940 . . 86 ILE CD1 . 25047 1 708 . 1 1 66 66 ILE N N 15 123.554 0.018 . 1 . 928 . . 86 ILE N . 25047 1 709 . 1 1 67 67 LEU H H 1 6.830 0.005 . 1 . 942 . . 87 LEU H . 25047 1 710 . 1 1 67 67 LEU HA H 1 3.581 0.020 . 1 . 944 . . 87 LEU HA . 25047 1 711 . 1 1 67 67 LEU HB2 H 1 2.186 0.018 . 2 . 946 . . 87 LEU HB2 . 25047 1 712 . 1 1 67 67 LEU HB3 H 1 1.148 0.020 . 2 . 947 . . 87 LEU HB3 . 25047 1 713 . 1 1 67 67 LEU HG H 1 1.930 0.020 . 1 . 949 . . 87 LEU HG . 25047 1 714 . 1 1 67 67 LEU HD11 H 1 1.131 0.015 . 2 . 950 . . 87 LEU HD11 . 25047 1 715 . 1 1 67 67 LEU HD12 H 1 1.131 0.015 . 2 . 950 . . 87 LEU HD12 . 25047 1 716 . 1 1 67 67 LEU HD13 H 1 1.131 0.015 . 2 . 950 . . 87 LEU HD13 . 25047 1 717 . 1 1 67 67 LEU HD21 H 1 0.850 0.016 . 2 . 951 . . 87 LEU HD21 . 25047 1 718 . 1 1 67 67 LEU HD22 H 1 0.850 0.016 . 2 . 951 . . 87 LEU HD22 . 25047 1 719 . 1 1 67 67 LEU HD23 H 1 0.850 0.016 . 2 . 951 . . 87 LEU HD23 . 25047 1 720 . 1 1 67 67 LEU CA C 13 57.520 0.095 . 1 . 943 . . 87 LEU CA . 25047 1 721 . 1 1 67 67 LEU CB C 13 41.980 0.093 . 1 . 945 . . 87 LEU CB . 25047 1 722 . 1 1 67 67 LEU CG C 13 25.738 0.192 . 1 . 948 . . 87 LEU CG . 25047 1 723 . 1 1 67 67 LEU CD1 C 13 26.456 0.013 . 2 . 952 . . 87 LEU CD1 . 25047 1 724 . 1 1 67 67 LEU CD2 C 13 24.604 0.105 . 2 . 953 . . 87 LEU CD2 . 25047 1 725 . 1 1 67 67 LEU N N 15 113.215 0.031 . 1 . 941 . . 87 LEU N . 25047 1 726 . 1 1 68 68 ALA H H 1 8.169 0.001 . 1 . 955 . . 88 ALA H . 25047 1 727 . 1 1 68 68 ALA HA H 1 3.377 0.020 . 1 . 957 . . 88 ALA HA . 25047 1 728 . 1 1 68 68 ALA HB1 H 1 1.717 0.020 . 1 . 958 . . 88 ALA HB1 . 25047 1 729 . 1 1 68 68 ALA HB2 H 1 1.717 0.020 . 1 . 958 . . 88 ALA HB2 . 25047 1 730 . 1 1 68 68 ALA HB3 H 1 1.717 0.020 . 1 . 958 . . 88 ALA HB3 . 25047 1 731 . 1 1 68 68 ALA CA C 13 55.538 0.029 . 1 . 956 . . 88 ALA CA . 25047 1 732 . 1 1 68 68 ALA CB C 13 19.391 0.012 . 1 . 959 . . 88 ALA CB . 25047 1 733 . 1 1 68 68 ALA N N 15 120.425 0.017 . 1 . 954 . . 88 ALA N . 25047 1 734 . 1 1 69 69 VAL H H 1 8.163 0.020 . 1 . 961 . . 89 VAL H . 25047 1 735 . 1 1 69 69 VAL HA H 1 3.168 0.003 . 1 . 963 . . 89 VAL HA . 25047 1 736 . 1 1 69 69 VAL HB H 1 1.835 0.003 . 1 . 965 . . 89 VAL HB . 25047 1 737 . 1 1 69 69 VAL HG11 H 1 0.819 0.009 . 2 . 966 . . 89 VAL HG11 . 25047 1 738 . 1 1 69 69 VAL HG12 H 1 0.819 0.009 . 2 . 966 . . 89 VAL HG12 . 25047 1 739 . 1 1 69 69 VAL HG13 H 1 0.819 0.009 . 2 . 966 . . 89 VAL HG13 . 25047 1 740 . 1 1 69 69 VAL HG21 H 1 0.279 0.001 . 2 . 967 . . 89 VAL HG21 . 25047 1 741 . 1 1 69 69 VAL HG22 H 1 0.279 0.001 . 2 . 967 . . 89 VAL HG22 . 25047 1 742 . 1 1 69 69 VAL HG23 H 1 0.279 0.001 . 2 . 967 . . 89 VAL HG23 . 25047 1 743 . 1 1 69 69 VAL CA C 13 66.920 0.020 . 1 . 962 . . 89 VAL CA . 25047 1 744 . 1 1 69 69 VAL CB C 13 31.856 0.012 . 1 . 964 . . 89 VAL CB . 25047 1 745 . 1 1 69 69 VAL CG1 C 13 21.086 0.011 . 2 . 968 . . 89 VAL CG1 . 25047 1 746 . 1 1 69 69 VAL CG2 C 13 22.920 0.003 . 2 . 969 . . 89 VAL CG2 . 25047 1 747 . 1 1 69 69 VAL N N 15 119.084 0.008 . 1 . 960 . . 89 VAL N . 25047 1 748 . 1 1 70 70 ASP H H 1 8.166 0.005 . 1 . 971 . . 90 ASP H . 25047 1 749 . 1 1 70 70 ASP HA H 1 3.870 0.002 . 1 . 973 . . 90 ASP HA . 25047 1 750 . 1 1 70 70 ASP HB2 H 1 0.943 0.020 . 2 . 975 . . 90 ASP HB2 . 25047 1 751 . 1 1 70 70 ASP HB3 H 1 1.893 0.020 . 2 . 976 . . 90 ASP HB3 . 25047 1 752 . 1 1 70 70 ASP CA C 13 57.401 0.016 . 1 . 972 . . 90 ASP CA . 25047 1 753 . 1 1 70 70 ASP CB C 13 38.933 0.014 . 1 . 974 . . 90 ASP CB . 25047 1 754 . 1 1 70 70 ASP N N 15 116.840 0.029 . 1 . 970 . . 90 ASP N . 25047 1 755 . 1 1 71 71 ASN H H 1 7.524 0.007 . 1 . 978 . . 91 ASN H . 25047 1 756 . 1 1 71 71 ASN HA H 1 4.952 0.020 . 1 . 980 . . 91 ASN HA . 25047 1 757 . 1 1 71 71 ASN HB2 H 1 2.226 0.001 . 2 . 982 . . 91 ASN HB2 . 25047 1 758 . 1 1 71 71 ASN HB3 H 1 2.433 0.020 . 2 . 983 . . 91 ASN HB3 . 25047 1 759 . 1 1 71 71 ASN CA C 13 55.562 0.087 . 1 . 979 . . 91 ASN CA . 25047 1 760 . 1 1 71 71 ASN CB C 13 41.923 0.084 . 1 . 981 . . 91 ASN CB . 25047 1 761 . 1 1 71 71 ASN N N 15 110.808 0.022 . 1 . 977 . . 91 ASN N . 25047 1 762 . 1 1 72 72 LEU H H 1 8.374 0.020 . 1 . 985 . . 92 LEU H . 25047 1 763 . 1 1 72 72 LEU HA H 1 4.657 0.004 . 1 . 987 . . 92 LEU HA . 25047 1 764 . 1 1 72 72 LEU HB2 H 1 1.180 0.029 . 2 . 989 . . 92 LEU HB2 . 25047 1 765 . 1 1 72 72 LEU HB3 H 1 1.864 0.009 . 2 . 990 . . 92 LEU HB3 . 25047 1 766 . 1 1 72 72 LEU HG H 1 0.986 0.002 . 1 . 992 . . 92 LEU HG . 25047 1 767 . 1 1 72 72 LEU HD11 H 1 -0.030 0.009 . 2 . 993 . . 92 LEU HD11 . 25047 1 768 . 1 1 72 72 LEU HD12 H 1 -0.030 0.009 . 2 . 993 . . 92 LEU HD12 . 25047 1 769 . 1 1 72 72 LEU HD13 H 1 -0.030 0.009 . 2 . 993 . . 92 LEU HD13 . 25047 1 770 . 1 1 72 72 LEU HD21 H 1 0.167 0.006 . 2 . 994 . . 92 LEU HD21 . 25047 1 771 . 1 1 72 72 LEU HD22 H 1 0.167 0.006 . 2 . 994 . . 92 LEU HD22 . 25047 1 772 . 1 1 72 72 LEU HD23 H 1 0.167 0.006 . 2 . 994 . . 92 LEU HD23 . 25047 1 773 . 1 1 72 72 LEU CA C 13 54.240 0.189 . 1 . 986 . . 92 LEU CA . 25047 1 774 . 1 1 72 72 LEU CB C 13 42.445 0.110 . 1 . 988 . . 92 LEU CB . 25047 1 775 . 1 1 72 72 LEU CG C 13 27.114 0.109 . 1 . 991 . . 92 LEU CG . 25047 1 776 . 1 1 72 72 LEU CD1 C 13 26.141 0.050 . 2 . 995 . . 92 LEU CD1 . 25047 1 777 . 1 1 72 72 LEU CD2 C 13 23.065 0.005 . 2 . 996 . . 92 LEU CD2 . 25047 1 778 . 1 1 72 72 LEU N N 15 116.405 0.031 . 1 . 984 . . 92 LEU N . 25047 1 779 . 1 1 73 73 ASN H H 1 6.944 0.006 . 1 . 998 . . 93 ASN H . 25047 1 780 . 1 1 73 73 ASN HA H 1 4.389 0.001 . 1 . 1000 . . 93 ASN HA . 25047 1 781 . 1 1 73 73 ASN HB2 H 1 2.864 0.020 . 2 . 1002 . . 93 ASN HB2 . 25047 1 782 . 1 1 73 73 ASN HB3 H 1 3.059 0.010 . 2 . 1003 . . 93 ASN HB3 . 25047 1 783 . 1 1 73 73 ASN HD21 H 1 8.053 0.003 . 1 . 1005 . . 93 ASN HD21 . 25047 1 784 . 1 1 73 73 ASN HD22 H 1 7.347 0.004 . 1 . 1006 . . 93 ASN HD22 . 25047 1 785 . 1 1 73 73 ASN CA C 13 56.670 0.045 . 1 . 999 . . 93 ASN CA . 25047 1 786 . 1 1 73 73 ASN CB C 13 39.455 0.053 . 1 . 1001 . . 93 ASN CB . 25047 1 787 . 1 1 73 73 ASN N N 15 118.416 0.060 . 1 . 997 . . 93 ASN N . 25047 1 788 . 1 1 73 73 ASN ND2 N 15 116.166 0.116 . 1 . 1004 . . 93 ASN ND2 . 25047 1 789 . 1 1 74 74 GLY H H 1 9.381 0.012 . 1 . 1008 . . 94 GLY H . 25047 1 790 . 1 1 74 74 GLY HA2 H 1 4.408 0.020 . 2 . 1010 . . 94 GLY HA2 . 25047 1 791 . 1 1 74 74 GLY HA3 H 1 3.603 0.020 . 2 . 1011 . . 94 GLY HA3 . 25047 1 792 . 1 1 74 74 GLY CA C 13 45.760 0.016 . 1 . 1009 . . 94 GLY CA . 25047 1 793 . 1 1 74 74 GLY N N 15 116.394 0.008 . 1 . 1007 . . 94 GLY N . 25047 1 794 . 1 1 75 75 PHE H H 1 8.215 0.018 . 1 . 1013 . . 95 PHE H . 25047 1 795 . 1 1 75 75 PHE HA H 1 4.290 0.008 . 1 . 1015 . . 95 PHE HA . 25047 1 796 . 1 1 75 75 PHE HB2 H 1 2.696 0.004 . 2 . 1017 . . 95 PHE HB2 . 25047 1 797 . 1 1 75 75 PHE HB3 H 1 3.220 0.006 . 2 . 1018 . . 95 PHE HB3 . 25047 1 798 . 1 1 75 75 PHE HD1 H 1 6.837 0.009 . 1 . 1019 . . 95 PHE HD1 . 25047 1 799 . 1 1 75 75 PHE HD2 H 1 6.837 0.009 . 1 . 1019 . . 95 PHE HD2 . 25047 1 800 . 1 1 75 75 PHE HE1 H 1 7.327 0.004 . 1 . 1020 . . 95 PHE HE1 . 25047 1 801 . 1 1 75 75 PHE HE2 H 1 7.327 0.004 . 1 . 1020 . . 95 PHE HE2 . 25047 1 802 . 1 1 75 75 PHE HZ H 1 7.401 0.020 . 1 . 1023 . . 95 PHE HZ . 25047 1 803 . 1 1 75 75 PHE CA C 13 58.813 0.049 . 1 . 1014 . . 95 PHE CA . 25047 1 804 . 1 1 75 75 PHE CB C 13 41.560 0.162 . 1 . 1016 . . 95 PHE CB . 25047 1 805 . 1 1 75 75 PHE CD1 C 13 131.597 0.213 . 1 . 1024 . . 95 PHE CD1 . 25047 1 806 . 1 1 75 75 PHE CD2 C 13 131.597 0.213 . 1 . 1024 . . 95 PHE CD2 . 25047 1 807 . 1 1 75 75 PHE CE1 C 13 131.534 0.200 . 1 . 1021 . . 95 PHE CE1 . 25047 1 808 . 1 1 75 75 PHE CE2 C 13 131.534 0.200 . 1 . 1021 . . 95 PHE CE2 . 25047 1 809 . 1 1 75 75 PHE CZ C 13 129.656 0.200 . 1 . 1022 . . 95 PHE CZ . 25047 1 810 . 1 1 75 75 PHE N N 15 123.354 0.026 . 1 . 1012 . . 95 PHE N . 25047 1 811 . 1 1 76 76 LYS H H 1 7.685 0.020 . 1 . 1026 . . 96 LYS H . 25047 1 812 . 1 1 76 76 LYS HA H 1 4.572 0.019 . 1 . 1028 . . 96 LYS HA . 25047 1 813 . 1 1 76 76 LYS HB2 H 1 1.440 0.020 . 2 . 1030 . . 96 LYS HB2 . 25047 1 814 . 1 1 76 76 LYS HB3 H 1 1.136 0.011 . 2 . 1031 . . 96 LYS HB3 . 25047 1 815 . 1 1 76 76 LYS HG2 H 1 1.321 0.006 . 2 . 1033 . . 96 LYS HG2 . 25047 1 816 . 1 1 76 76 LYS HG3 H 1 0.798 0.009 . 2 . 1034 . . 96 LYS HG3 . 25047 1 817 . 1 1 76 76 LYS HD2 H 1 1.441 0.020 . 2 . 1036 . . 96 LYS HD2 . 25047 1 818 . 1 1 76 76 LYS HD3 H 1 1.539 0.006 . 2 . 1037 . . 96 LYS HD3 . 25047 1 819 . 1 1 76 76 LYS HE2 H 1 2.861 0.003 . 1 . 1039 . . 96 LYS HE2 . 25047 1 820 . 1 1 76 76 LYS HE3 H 1 2.861 0.003 . 1 . 1228 . . 96 LYS HE3 . 25047 1 821 . 1 1 76 76 LYS CA C 13 56.393 0.069 . 1 . 1027 . . 96 LYS CA . 25047 1 822 . 1 1 76 76 LYS CB C 13 33.043 0.024 . 1 . 1029 . . 96 LYS CB . 25047 1 823 . 1 1 76 76 LYS CG C 13 25.680 0.036 . 1 . 1032 . . 96 LYS CG . 25047 1 824 . 1 1 76 76 LYS CD C 13 29.533 0.187 . 1 . 1035 . . 96 LYS CD . 25047 1 825 . 1 1 76 76 LYS CE C 13 41.945 0.200 . 1 . 1038 . . 96 LYS CE . 25047 1 826 . 1 1 76 76 LYS N N 15 127.135 0.024 . 1 . 1025 . . 96 LYS N . 25047 1 827 . 1 1 77 77 ILE H H 1 8.081 0.013 . 1 . 1041 . . 97 ILE H . 25047 1 828 . 1 1 77 77 ILE HA H 1 4.360 0.006 . 1 . 1043 . . 97 ILE HA . 25047 1 829 . 1 1 77 77 ILE HB H 1 1.907 0.008 . 1 . 1045 . . 97 ILE HB . 25047 1 830 . 1 1 77 77 ILE HG12 H 1 1.740 0.008 . 2 . 1049 . . 97 ILE HG12 . 25047 1 831 . 1 1 77 77 ILE HG13 H 1 1.333 0.010 . 2 . 1050 . . 97 ILE HG13 . 25047 1 832 . 1 1 77 77 ILE HG21 H 1 1.019 0.001 . 1 . 1046 . . 97 ILE HG21 . 25047 1 833 . 1 1 77 77 ILE HG22 H 1 1.019 0.001 . 1 . 1046 . . 97 ILE HG22 . 25047 1 834 . 1 1 77 77 ILE HG23 H 1 1.019 0.001 . 1 . 1046 . . 97 ILE HG23 . 25047 1 835 . 1 1 77 77 ILE HD11 H 1 1.014 0.001 . 1 . 1051 . . 97 ILE HD11 . 25047 1 836 . 1 1 77 77 ILE HD12 H 1 1.014 0.001 . 1 . 1051 . . 97 ILE HD12 . 25047 1 837 . 1 1 77 77 ILE HD13 H 1 1.014 0.001 . 1 . 1051 . . 97 ILE HD13 . 25047 1 838 . 1 1 77 77 ILE CA C 13 60.107 0.053 . 1 . 1042 . . 97 ILE CA . 25047 1 839 . 1 1 77 77 ILE CB C 13 40.016 0.017 . 1 . 1044 . . 97 ILE CB . 25047 1 840 . 1 1 77 77 ILE CG1 C 13 27.115 0.030 . 1 . 1048 . . 97 ILE CG1 . 25047 1 841 . 1 1 77 77 ILE CG2 C 13 17.006 0.011 . 1 . 1047 . . 97 ILE CG2 . 25047 1 842 . 1 1 77 77 ILE CD1 C 13 13.678 0.018 . 1 . 1052 . . 97 ILE CD1 . 25047 1 843 . 1 1 77 77 ILE N N 15 121.600 0.025 . 1 . 1040 . . 97 ILE N . 25047 1 844 . 1 1 78 78 GLY HA2 H 1 3.955 0.020 . 2 . 1054 . . 98 GLY HA2 . 25047 1 845 . 1 1 78 78 GLY HA3 H 1 3.743 0.020 . 2 . 1055 . . 98 GLY HA3 . 25047 1 846 . 1 1 78 78 GLY CA C 13 47.108 0.010 . 1 . 1053 . . 98 GLY CA . 25047 1 847 . 1 1 79 79 GLY H H 1 8.642 0.009 . 1 . 1057 . . 99 GLY H . 25047 1 848 . 1 1 79 79 GLY HA2 H 1 3.560 0.020 . 2 . 1059 . . 99 GLY HA2 . 25047 1 849 . 1 1 79 79 GLY HA3 H 1 4.173 0.020 . 2 . 1060 . . 99 GLY HA3 . 25047 1 850 . 1 1 79 79 GLY CA C 13 44.990 0.060 . 1 . 1058 . . 99 GLY CA . 25047 1 851 . 1 1 79 79 GLY N N 15 104.157 0.200 . 1 . 1056 . . 99 GLY N . 25047 1 852 . 1 1 80 80 ARG H H 1 7.385 0.008 . 1 . 1062 . . 100 ARG H . 25047 1 853 . 1 1 80 80 ARG HA H 1 4.649 0.010 . 1 . 1064 . . 100 ARG HA . 25047 1 854 . 1 1 80 80 ARG HB2 H 1 1.808 0.004 . 2 . 1066 . . 100 ARG HB2 . 25047 1 855 . 1 1 80 80 ARG HB3 H 1 1.971 0.008 . 2 . 1067 . . 100 ARG HB3 . 25047 1 856 . 1 1 80 80 ARG HG2 H 1 1.582 0.007 . 2 . 1069 . . 100 ARG HG2 . 25047 1 857 . 1 1 80 80 ARG HG3 H 1 1.535 0.005 . 2 . 1070 . . 100 ARG HG3 . 25047 1 858 . 1 1 80 80 ARG HD2 H 1 2.904 0.007 . 2 . 1072 . . 100 ARG HD2 . 25047 1 859 . 1 1 80 80 ARG HD3 H 1 3.058 0.006 . 2 . 1073 . . 100 ARG HD3 . 25047 1 860 . 1 1 80 80 ARG CA C 13 54.666 0.035 . 1 . 1063 . . 100 ARG CA . 25047 1 861 . 1 1 80 80 ARG CB C 13 33.424 0.105 . 1 . 1065 . . 100 ARG CB . 25047 1 862 . 1 1 80 80 ARG CG C 13 27.568 0.078 . 1 . 1068 . . 100 ARG CG . 25047 1 863 . 1 1 80 80 ARG CD C 13 43.213 0.067 . 1 . 1071 . . 100 ARG CD . 25047 1 864 . 1 1 80 80 ARG N N 15 119.414 0.023 . 1 . 1061 . . 100 ARG N . 25047 1 865 . 1 1 81 81 ALA H H 1 8.087 0.018 . 1 . 1075 . . 101 ALA H . 25047 1 866 . 1 1 81 81 ALA HA H 1 4.065 0.020 . 1 . 1077 . . 101 ALA HA . 25047 1 867 . 1 1 81 81 ALA HB1 H 1 1.143 0.020 . 1 . 1078 . . 101 ALA HB1 . 25047 1 868 . 1 1 81 81 ALA HB2 H 1 1.143 0.020 . 1 . 1078 . . 101 ALA HB2 . 25047 1 869 . 1 1 81 81 ALA HB3 H 1 1.143 0.020 . 1 . 1078 . . 101 ALA HB3 . 25047 1 870 . 1 1 81 81 ALA CA C 13 51.401 0.014 . 1 . 1076 . . 101 ALA CA . 25047 1 871 . 1 1 81 81 ALA CB C 13 19.061 0.002 . 1 . 1079 . . 101 ALA CB . 25047 1 872 . 1 1 81 81 ALA N N 15 121.610 0.023 . 1 . 1074 . . 101 ALA N . 25047 1 873 . 1 1 82 82 LEU H H 1 8.741 0.008 . 1 . 1081 . . 102 LEU H . 25047 1 874 . 1 1 82 82 LEU HA H 1 4.369 0.015 . 1 . 1083 . . 102 LEU HA . 25047 1 875 . 1 1 82 82 LEU HB2 H 1 1.300 0.006 . 2 . 1085 . . 102 LEU HB2 . 25047 1 876 . 1 1 82 82 LEU HB3 H 1 2.437 0.020 . 2 . 1086 . . 102 LEU HB3 . 25047 1 877 . 1 1 82 82 LEU HG H 1 2.280 0.003 . 1 . 1088 . . 102 LEU HG . 25047 1 878 . 1 1 82 82 LEU HD11 H 1 1.099 0.011 . 2 . 1089 . . 102 LEU HD11 . 25047 1 879 . 1 1 82 82 LEU HD12 H 1 1.099 0.011 . 2 . 1089 . . 102 LEU HD12 . 25047 1 880 . 1 1 82 82 LEU HD13 H 1 1.099 0.011 . 2 . 1089 . . 102 LEU HD13 . 25047 1 881 . 1 1 82 82 LEU HD21 H 1 0.901 0.008 . 2 . 1090 . . 102 LEU HD21 . 25047 1 882 . 1 1 82 82 LEU HD22 H 1 0.901 0.008 . 2 . 1090 . . 102 LEU HD22 . 25047 1 883 . 1 1 82 82 LEU HD23 H 1 0.901 0.008 . 2 . 1090 . . 102 LEU HD23 . 25047 1 884 . 1 1 82 82 LEU CA C 13 56.070 0.194 . 1 . 1082 . . 102 LEU CA . 25047 1 885 . 1 1 82 82 LEU CB C 13 43.217 0.102 . 1 . 1084 . . 102 LEU CB . 25047 1 886 . 1 1 82 82 LEU CG C 13 27.069 0.154 . 1 . 1087 . . 102 LEU CG . 25047 1 887 . 1 1 82 82 LEU CD1 C 13 26.355 0.054 . 2 . 1091 . . 102 LEU CD1 . 25047 1 888 . 1 1 82 82 LEU CD2 C 13 23.670 0.011 . 2 . 1092 . . 102 LEU CD2 . 25047 1 889 . 1 1 82 82 LEU N N 15 125.731 0.153 . 1 . 1080 . . 102 LEU N . 25047 1 890 . 1 1 83 83 LYS H H 1 7.833 0.020 . 1 . 1094 . . 103 LYS H . 25047 1 891 . 1 1 83 83 LYS HA H 1 5.002 0.011 . 1 . 1096 . . 103 LYS HA . 25047 1 892 . 1 1 83 83 LYS HB2 H 1 1.729 0.010 . 1 . 1098 . . 103 LYS HB2 . 25047 1 893 . 1 1 83 83 LYS HB3 H 1 1.729 0.010 . 1 . 1229 . . 103 LYS HB3 . 25047 1 894 . 1 1 83 83 LYS HG2 H 1 1.457 0.020 . 2 . 1100 . . 103 LYS HG2 . 25047 1 895 . 1 1 83 83 LYS HG3 H 1 1.444 0.024 . 2 . 1101 . . 103 LYS HG3 . 25047 1 896 . 1 1 83 83 LYS HD2 H 1 1.724 0.001 . 2 . 1103 . . 103 LYS HD2 . 25047 1 897 . 1 1 83 83 LYS HD3 H 1 1.814 0.008 . 2 . 1104 . . 103 LYS HD3 . 25047 1 898 . 1 1 83 83 LYS HE2 H 1 2.986 0.009 . 1 . 1105 . . 103 LYS HE2 . 25047 1 899 . 1 1 83 83 LYS HE3 H 1 2.986 0.009 . 1 . 1230 . . 103 LYS HE3 . 25047 1 900 . 1 1 83 83 LYS CA C 13 54.518 0.004 . 1 . 1095 . . 103 LYS CA . 25047 1 901 . 1 1 83 83 LYS CB C 13 34.026 0.053 . 1 . 1097 . . 103 LYS CB . 25047 1 902 . 1 1 83 83 LYS CG C 13 24.967 0.180 . 1 . 1099 . . 103 LYS CG . 25047 1 903 . 1 1 83 83 LYS CD C 13 29.069 0.069 . 1 . 1102 . . 103 LYS CD . 25047 1 904 . 1 1 83 83 LYS N N 15 123.850 0.042 . 1 . 1093 . . 103 LYS N . 25047 1 905 . 1 1 84 84 ILE H H 1 8.758 0.020 . 1 . 1107 . . 104 ILE H . 25047 1 906 . 1 1 84 84 ILE HA H 1 5.556 0.024 . 1 . 1109 . . 104 ILE HA . 25047 1 907 . 1 1 84 84 ILE HB H 1 1.726 0.018 . 1 . 1111 . . 104 ILE HB . 25047 1 908 . 1 1 84 84 ILE HG12 H 1 1.246 0.011 . 2 . 1115 . . 104 ILE HG12 . 25047 1 909 . 1 1 84 84 ILE HG13 H 1 1.461 0.003 . 2 . 1116 . . 104 ILE HG13 . 25047 1 910 . 1 1 84 84 ILE HG21 H 1 0.906 0.010 . 1 . 1112 . . 104 ILE HG21 . 25047 1 911 . 1 1 84 84 ILE HG22 H 1 0.906 0.010 . 1 . 1112 . . 104 ILE HG22 . 25047 1 912 . 1 1 84 84 ILE HG23 H 1 0.906 0.010 . 1 . 1112 . . 104 ILE HG23 . 25047 1 913 . 1 1 84 84 ILE HD11 H 1 1.023 0.020 . 1 . 1117 . . 104 ILE HD11 . 25047 1 914 . 1 1 84 84 ILE HD12 H 1 1.023 0.020 . 1 . 1117 . . 104 ILE HD12 . 25047 1 915 . 1 1 84 84 ILE HD13 H 1 1.023 0.020 . 1 . 1117 . . 104 ILE HD13 . 25047 1 916 . 1 1 84 84 ILE CA C 13 58.091 0.057 . 1 . 1108 . . 104 ILE CA . 25047 1 917 . 1 1 84 84 ILE CB C 13 40.007 0.056 . 1 . 1110 . . 104 ILE CB . 25047 1 918 . 1 1 84 84 ILE CG1 C 13 27.623 0.165 . 1 . 1114 . . 104 ILE CG1 . 25047 1 919 . 1 1 84 84 ILE CG2 C 13 19.900 0.023 . 1 . 1113 . . 104 ILE CG2 . 25047 1 920 . 1 1 84 84 ILE CD1 C 13 15.535 0.017 . 1 . 1118 . . 104 ILE CD1 . 25047 1 921 . 1 1 84 84 ILE N N 15 125.962 0.053 . 1 . 1106 . . 104 ILE N . 25047 1 922 . 1 1 85 85 ASP H H 1 8.921 0.006 . 1 . 1120 . . 105 ASP H . 25047 1 923 . 1 1 85 85 ASP HA H 1 5.072 0.003 . 1 . 1122 . . 105 ASP HA . 25047 1 924 . 1 1 85 85 ASP HB2 H 1 2.418 0.001 . 2 . 1124 . . 105 ASP HB2 . 25047 1 925 . 1 1 85 85 ASP HB3 H 1 2.774 0.001 . 2 . 1125 . . 105 ASP HB3 . 25047 1 926 . 1 1 85 85 ASP CA C 13 52.522 0.022 . 1 . 1121 . . 105 ASP CA . 25047 1 927 . 1 1 85 85 ASP CB C 13 45.450 0.013 . 1 . 1123 . . 105 ASP CB . 25047 1 928 . 1 1 85 85 ASP N N 15 123.880 0.016 . 1 . 1119 . . 105 ASP N . 25047 1 929 . 1 1 86 86 HIS H H 1 8.806 0.020 . 1 . 1127 . . 106 HIS H . 25047 1 930 . 1 1 86 86 HIS HA H 1 4.532 0.020 . 1 . 1129 . . 106 HIS HA . 25047 1 931 . 1 1 86 86 HIS HB2 H 1 2.804 0.020 . 2 . 1131 . . 106 HIS HB2 . 25047 1 932 . 1 1 86 86 HIS HB3 H 1 3.039 0.020 . 2 . 1132 . . 106 HIS HB3 . 25047 1 933 . 1 1 86 86 HIS HE1 H 1 7.416 0.009 . 1 . 1134 . . 106 HIS HE1 . 25047 1 934 . 1 1 86 86 HIS CA C 13 58.145 0.007 . 1 . 1128 . . 106 HIS CA . 25047 1 935 . 1 1 86 86 HIS CB C 13 30.765 0.063 . 1 . 1130 . . 106 HIS CB . 25047 1 936 . 1 1 86 86 HIS CE1 C 13 137.408 0.199 . 1 . 1133 . . 106 HIS CE1 . 25047 1 937 . 1 1 86 86 HIS N N 15 121.364 0.021 . 1 . 1126 . . 106 HIS N . 25047 1 938 . 1 1 87 87 THR H H 1 7.766 0.008 . 1 . 1136 . . 107 THR H . 25047 1 939 . 1 1 87 87 THR HA H 1 4.783 0.020 . 1 . 1138 . . 107 THR HA . 25047 1 940 . 1 1 87 87 THR HB H 1 4.086 0.020 . 1 . 1140 . . 107 THR HB . 25047 1 941 . 1 1 87 87 THR HG21 H 1 1.222 0.020 . 1 . 1141 . . 107 THR HG21 . 25047 1 942 . 1 1 87 87 THR HG22 H 1 1.222 0.020 . 1 . 1141 . . 107 THR HG22 . 25047 1 943 . 1 1 87 87 THR HG23 H 1 1.222 0.020 . 1 . 1141 . . 107 THR HG23 . 25047 1 944 . 1 1 87 87 THR CA C 13 60.149 0.200 . 1 . 1137 . . 107 THR CA . 25047 1 945 . 1 1 87 87 THR CB C 13 70.005 0.054 . 1 . 1139 . . 107 THR CB . 25047 1 946 . 1 1 87 87 THR CG2 C 13 20.504 0.007 . 1 . 1142 . . 107 THR CG2 . 25047 1 947 . 1 1 87 87 THR N N 15 114.294 0.024 . 1 . 1135 . . 107 THR N . 25047 1 948 . 1 1 88 88 PHE H H 1 8.380 0.018 . 1 . 1144 . . 108 PHE H . 25047 1 949 . 1 1 88 88 PHE HA H 1 4.801 0.002 . 1 . 1146 . . 108 PHE HA . 25047 1 950 . 1 1 88 88 PHE HB2 H 1 3.212 0.020 . 2 . 1148 . . 108 PHE HB2 . 25047 1 951 . 1 1 88 88 PHE HB3 H 1 2.937 0.020 . 2 . 1149 . . 108 PHE HB3 . 25047 1 952 . 1 1 88 88 PHE HD1 H 1 7.279 0.004 . 1 . 1150 . . 108 PHE HD1 . 25047 1 953 . 1 1 88 88 PHE HD2 H 1 7.279 0.004 . 1 . 1150 . . 108 PHE HD2 . 25047 1 954 . 1 1 88 88 PHE CA C 13 57.677 0.200 . 1 . 1145 . . 108 PHE CA . 25047 1 955 . 1 1 88 88 PHE CB C 13 39.111 0.035 . 1 . 1147 . . 108 PHE CB . 25047 1 956 . 1 1 88 88 PHE CD1 C 13 131.657 0.049 . 1 . 1151 . . 108 PHE CD1 . 25047 1 957 . 1 1 88 88 PHE CD2 C 13 131.657 0.049 . 1 . 1151 . . 108 PHE CD2 . 25047 1 958 . 1 1 88 88 PHE N N 15 124.590 0.046 . 1 . 1143 . . 108 PHE N . 25047 1 959 . 1 1 89 89 TYR H H 1 8.163 0.002 . 1 . 1153 . . 109 TYR H . 25047 1 960 . 1 1 89 89 TYR HA H 1 3.996 0.008 . 1 . 1155 . . 109 TYR HA . 25047 1 961 . 1 1 89 89 TYR HB2 H 1 2.529 0.001 . 2 . 1157 . . 109 TYR HB2 . 25047 1 962 . 1 1 89 89 TYR HB3 H 1 2.037 0.020 . 2 . 1158 . . 109 TYR HB3 . 25047 1 963 . 1 1 89 89 TYR HD1 H 1 5.926 0.001 . 1 . 1159 . . 109 TYR HD1 . 25047 1 964 . 1 1 89 89 TYR HD2 H 1 5.926 0.001 . 1 . 1159 . . 109 TYR HD2 . 25047 1 965 . 1 1 89 89 TYR HE1 H 1 6.129 0.004 . 1 . 1160 . . 109 TYR HE1 . 25047 1 966 . 1 1 89 89 TYR HE2 H 1 6.129 0.004 . 1 . 1160 . . 109 TYR HE2 . 25047 1 967 . 1 1 89 89 TYR CA C 13 59.066 0.065 . 1 . 1154 . . 109 TYR CA . 25047 1 968 . 1 1 89 89 TYR CB C 13 39.872 0.046 . 1 . 1156 . . 109 TYR CB . 25047 1 969 . 1 1 89 89 TYR CD1 C 13 132.057 0.037 . 1 . 1162 . . 109 TYR CD1 . 25047 1 970 . 1 1 89 89 TYR CD2 C 13 132.057 0.037 . 1 . 1162 . . 109 TYR CD2 . 25047 1 971 . 1 1 89 89 TYR CE1 C 13 117.186 0.200 . 1 . 1161 . . 109 TYR CE1 . 25047 1 972 . 1 1 89 89 TYR CE2 C 13 117.186 0.200 . 1 . 1161 . . 109 TYR CE2 . 25047 1 973 . 1 1 89 89 TYR N N 15 124.864 0.019 . 1 . 1152 . . 109 TYR N . 25047 1 974 . 1 1 90 90 ARG H H 1 7.019 0.008 . 1 . 1164 . . 110 ARG H . 25047 1 975 . 1 1 90 90 ARG HA H 1 4.036 0.004 . 1 . 1166 . . 110 ARG HA . 25047 1 976 . 1 1 90 90 ARG HB2 H 1 1.392 0.020 . 2 . 1168 . . 110 ARG HB2 . 25047 1 977 . 1 1 90 90 ARG HB3 H 1 1.536 0.020 . 2 . 1169 . . 110 ARG HB3 . 25047 1 978 . 1 1 90 90 ARG HG2 H 1 1.462 0.015 . 2 . 1171 . . 110 ARG HG2 . 25047 1 979 . 1 1 90 90 ARG HG3 H 1 1.486 0.006 . 2 . 1172 . . 110 ARG HG3 . 25047 1 980 . 1 1 90 90 ARG HD2 H 1 3.118 0.015 . 1 . 1174 . . 110 ARG HD2 . 25047 1 981 . 1 1 90 90 ARG HD3 H 1 3.118 0.015 . 1 . 1231 . . 110 ARG HD3 . 25047 1 982 . 1 1 90 90 ARG CA C 13 52.227 0.021 . 1 . 1165 . . 110 ARG CA . 25047 1 983 . 1 1 90 90 ARG CB C 13 31.372 0.039 . 1 . 1167 . . 110 ARG CB . 25047 1 984 . 1 1 90 90 ARG CG C 13 26.849 0.031 . 1 . 1170 . . 110 ARG CG . 25047 1 985 . 1 1 90 90 ARG CD C 13 43.502 0.050 . 1 . 1173 . . 110 ARG CD . 25047 1 986 . 1 1 90 90 ARG N N 15 125.306 0.036 . 1 . 1163 . . 110 ARG N . 25047 1 987 . 1 1 91 91 PRO HA H 1 3.932 0.020 . 1 . 1177 . . 111 PRO HA . 25047 1 988 . 1 1 91 91 PRO HB2 H 1 2.015 0.011 . 2 . 1179 . . 111 PRO HB2 . 25047 1 989 . 1 1 91 91 PRO HB3 H 1 1.698 0.008 . 2 . 1180 . . 111 PRO HB3 . 25047 1 990 . 1 1 91 91 PRO HG2 H 1 1.657 0.014 . 2 . 1182 . . 111 PRO HG2 . 25047 1 991 . 1 1 91 91 PRO HG3 H 1 1.723 0.003 . 2 . 1183 . . 111 PRO HG3 . 25047 1 992 . 1 1 91 91 PRO HD2 H 1 2.718 0.004 . 2 . 1184 . . 111 PRO HD2 . 25047 1 993 . 1 1 91 91 PRO HD3 H 1 3.099 0.016 . 2 . 1185 . . 111 PRO HD3 . 25047 1 994 . 1 1 91 91 PRO CA C 13 62.384 0.121 . 1 . 1176 . . 111 PRO CA . 25047 1 995 . 1 1 91 91 PRO CB C 13 32.051 0.048 . 1 . 1178 . . 111 PRO CB . 25047 1 996 . 1 1 91 91 PRO CG C 13 27.197 0.071 . 1 . 1181 . . 111 PRO CG . 25047 1 997 . 1 1 91 91 PRO CD C 13 50.300 0.020 . 1 . 1175 . . 111 PRO CD . 25047 1 998 . 1 1 92 92 LYS H H 1 8.146 0.002 . 1 . 1187 . . 112 LYS H . 25047 1 999 . 1 1 92 92 LYS HA H 1 4.198 0.012 . 1 . 1189 . . 112 LYS HA . 25047 1 1000 . 1 1 92 92 LYS HB2 H 1 1.768 0.001 . 2 . 1191 . . 112 LYS HB2 . 25047 1 1001 . 1 1 92 92 LYS HB3 H 1 1.667 0.019 . 2 . 1192 . . 112 LYS HB3 . 25047 1 1002 . 1 1 92 92 LYS HG2 H 1 1.348 0.020 . 2 . 1194 . . 112 LYS HG2 . 25047 1 1003 . 1 1 92 92 LYS HG3 H 1 1.391 0.020 . 2 . 1195 . . 112 LYS HG3 . 25047 1 1004 . 1 1 92 92 LYS HD2 H 1 1.641 0.003 . 1 . 1197 . . 112 LYS HD2 . 25047 1 1005 . 1 1 92 92 LYS HD3 H 1 1.641 0.003 . 1 . 1232 . . 112 LYS HD3 . 25047 1 1006 . 1 1 92 92 LYS HE2 H 1 2.963 0.015 . 1 . 1199 . . 112 LYS HE2 . 25047 1 1007 . 1 1 92 92 LYS HE3 H 1 2.963 0.015 . 1 . 1233 . . 112 LYS HE3 . 25047 1 1008 . 1 1 92 92 LYS CA C 13 56.163 0.129 . 1 . 1188 . . 112 LYS CA . 25047 1 1009 . 1 1 92 92 LYS CB C 13 32.971 0.030 . 1 . 1190 . . 112 LYS CB . 25047 1 1010 . 1 1 92 92 LYS CG C 13 24.643 0.088 . 1 . 1193 . . 112 LYS CG . 25047 1 1011 . 1 1 92 92 LYS CD C 13 29.058 0.011 . 1 . 1196 . . 112 LYS CD . 25047 1 1012 . 1 1 92 92 LYS CE C 13 42.125 0.008 . 1 . 1198 . . 112 LYS CE . 25047 1 1013 . 1 1 92 92 LYS N N 15 121.707 0.138 . 1 . 1186 . . 112 LYS N . 25047 1 1014 . 1 1 93 93 ARG H H 1 7.901 0.008 . 1 . 1201 . . 113 ARG H . 25047 1 1015 . 1 1 93 93 ARG HA H 1 4.131 0.009 . 1 . 1203 . . 113 ARG HA . 25047 1 1016 . 1 1 93 93 ARG HB2 H 1 1.653 0.011 . 2 . 1205 . . 113 ARG HB2 . 25047 1 1017 . 1 1 93 93 ARG HB3 H 1 1.795 0.016 . 2 . 1206 . . 113 ARG HB3 . 25047 1 1018 . 1 1 93 93 ARG HG2 H 1 1.524 0.020 . 1 . 1208 . . 113 ARG HG2 . 25047 1 1019 . 1 1 93 93 ARG HG3 H 1 1.524 0.020 . 1 . 1235 . . 113 ARG HG3 . 25047 1 1020 . 1 1 93 93 ARG HD2 H 1 3.143 0.010 . 1 . 1210 . . 113 ARG HD2 . 25047 1 1021 . 1 1 93 93 ARG HD3 H 1 3.143 0.010 . 1 . 1234 . . 113 ARG HD3 . 25047 1 1022 . 1 1 93 93 ARG CA C 13 57.283 0.024 . 1 . 1202 . . 113 ARG CA . 25047 1 1023 . 1 1 93 93 ARG CB C 13 31.645 0.078 . 1 . 1204 . . 113 ARG CB . 25047 1 1024 . 1 1 93 93 ARG CG C 13 27.306 0.082 . 1 . 1207 . . 113 ARG CG . 25047 1 1025 . 1 1 93 93 ARG CD C 13 43.381 0.105 . 1 . 1209 . . 113 ARG CD . 25047 1 1026 . 1 1 93 93 ARG N N 15 128.214 0.019 . 1 . 1200 . . 113 ARG N . 25047 1 1027 . 2 2 5 5 ASN H H 1 8.569 0.009 . 1 . 2 . . 222 ASN H . 25047 1 1028 . 2 2 5 5 ASN HA H 1 5.225 0.002 . 1 . 4 . . 222 ASN HA . 25047 1 1029 . 2 2 5 5 ASN HB2 H 1 2.408 0.020 . 2 . 6 . . 222 ASN HB2 . 25047 1 1030 . 2 2 5 5 ASN HB3 H 1 2.597 0.020 . 2 . 7 . . 222 ASN HB3 . 25047 1 1031 . 2 2 5 5 ASN CA C 13 52.352 0.039 . 1 . 3 . . 222 ASN CA . 25047 1 1032 . 2 2 5 5 ASN CB C 13 36.941 0.155 . 1 . 5 . . 222 ASN CB . 25047 1 1033 . 2 2 5 5 ASN N N 15 113.225 0.059 . 1 . 1 . . 222 ASN N . 25047 1 1034 . 2 2 6 6 ARG H H 1 9.802 0.024 . 1 . 9 . . 223 ARG H . 25047 1 1035 . 2 2 6 6 ARG HA H 1 3.628 0.012 . 1 . 11 . . 223 ARG HA . 25047 1 1036 . 2 2 6 6 ARG HB2 H 1 0.147 0.020 . 2 . 13 . . 223 ARG HB2 . 25047 1 1037 . 2 2 6 6 ARG HB3 H 1 0.357 0.030 . 2 . 14 . . 223 ARG HB3 . 25047 1 1038 . 2 2 6 6 ARG HG2 H 1 -0.490 0.010 . 2 . 16 . . 223 ARG HG2 . 25047 1 1039 . 2 2 6 6 ARG HG3 H 1 -0.082 0.020 . 2 . 17 . . 223 ARG HG3 . 25047 1 1040 . 2 2 6 6 ARG HD2 H 1 1.082 0.007 . 2 . 19 . . 223 ARG HD2 . 25047 1 1041 . 2 2 6 6 ARG HD3 H 1 1.985 0.015 . 2 . 20 . . 223 ARG HD3 . 25047 1 1042 . 2 2 6 6 ARG HE H 1 8.305 0.008 . 1 . 22 . . 223 ARG HE . 25047 1 1043 . 2 2 6 6 ARG CA C 13 57.855 0.095 . 1 . 10 . . 223 ARG CA . 25047 1 1044 . 2 2 6 6 ARG CB C 13 28.148 0.233 . 1 . 12 . . 223 ARG CB . 25047 1 1045 . 2 2 6 6 ARG CG C 13 23.649 0.153 . 1 . 15 . . 223 ARG CG . 25047 1 1046 . 2 2 6 6 ARG CD C 13 42.387 0.124 . 1 . 18 . . 223 ARG CD . 25047 1 1047 . 2 2 6 6 ARG N N 15 119.827 0.013 . 1 . 8 . . 223 ARG N . 25047 1 1048 . 2 2 6 6 ARG NE N 15 85.147 0.026 . 1 . 21 . . 223 ARG NE . 25047 1 1049 . 2 2 7 7 PHE H H 1 7.410 0.004 . 1 . 24 . . 224 PHE H . 25047 1 1050 . 2 2 7 7 PHE HA H 1 4.938 0.020 . 1 . 26 . . 224 PHE HA . 25047 1 1051 . 2 2 7 7 PHE HB2 H 1 2.306 0.004 . 2 . 28 . . 224 PHE HB2 . 25047 1 1052 . 2 2 7 7 PHE HB3 H 1 3.358 0.002 . 2 . 29 . . 224 PHE HB3 . 25047 1 1053 . 2 2 7 7 PHE HD1 H 1 7.002 0.001 . 1 . 30 . . 224 PHE HD1 . 25047 1 1054 . 2 2 7 7 PHE HD2 H 1 7.002 0.001 . 1 . 30 . . 224 PHE HD2 . 25047 1 1055 . 2 2 7 7 PHE HE1 H 1 7.304 0.020 . 1 . 31 . . 224 PHE HE1 . 25047 1 1056 . 2 2 7 7 PHE HE2 H 1 7.304 0.020 . 1 . 31 . . 224 PHE HE2 . 25047 1 1057 . 2 2 7 7 PHE HZ H 1 7.142 0.020 . 1 . 33 . . 224 PHE HZ . 25047 1 1058 . 2 2 7 7 PHE CA C 13 56.369 0.036 . 1 . 25 . . 224 PHE CA . 25047 1 1059 . 2 2 7 7 PHE CB C 13 41.614 0.083 . 1 . 27 . . 224 PHE CB . 25047 1 1060 . 2 2 7 7 PHE CD1 C 13 133.040 0.044 . 1 . 34 . . 224 PHE CD1 . 25047 1 1061 . 2 2 7 7 PHE CD2 C 13 133.040 0.044 . 1 . 34 . . 224 PHE CD2 . 25047 1 1062 . 2 2 7 7 PHE CE1 C 13 130.895 0.200 . 1 . 32 . . 224 PHE CE1 . 25047 1 1063 . 2 2 7 7 PHE CE2 C 13 130.895 0.200 . 1 . 32 . . 224 PHE CE2 . 25047 1 1064 . 2 2 7 7 PHE N N 15 117.840 0.045 . 1 . 23 . . 224 PHE N . 25047 1 1065 . 2 2 8 8 ALA H H 1 7.909 0.020 . 1 . 36 . . 225 ALA H . 25047 1 1066 . 2 2 8 8 ALA HA H 1 4.169 0.020 . 1 . 38 . . 225 ALA HA . 25047 1 1067 . 2 2 8 8 ALA HB1 H 1 1.458 0.020 . 1 . 39 . . 225 ALA HB1 . 25047 1 1068 . 2 2 8 8 ALA HB2 H 1 1.458 0.020 . 1 . 39 . . 225 ALA HB2 . 25047 1 1069 . 2 2 8 8 ALA HB3 H 1 1.458 0.020 . 1 . 39 . . 225 ALA HB3 . 25047 1 1070 . 2 2 8 8 ALA CA C 13 53.014 0.039 . 1 . 37 . . 225 ALA CA . 25047 1 1071 . 2 2 8 8 ALA CB C 13 16.718 0.003 . 1 . 40 . . 225 ALA CB . 25047 1 1072 . 2 2 8 8 ALA N N 15 122.309 0.003 . 1 . 35 . . 225 ALA N . 25047 1 1073 . 2 2 9 9 ILE H H 1 8.138 0.005 . 1 . 42 . . 226 ILE H . 25047 1 1074 . 2 2 9 9 ILE HA H 1 3.922 0.005 . 1 . 44 . . 226 ILE HA . 25047 1 1075 . 2 2 9 9 ILE HB H 1 1.286 0.001 . 1 . 46 . . 226 ILE HB . 25047 1 1076 . 2 2 9 9 ILE HG12 H 1 1.534 0.008 . 2 . 50 . . 226 ILE HG12 . 25047 1 1077 . 2 2 9 9 ILE HG13 H 1 0.873 0.014 . 2 . 51 . . 226 ILE HG13 . 25047 1 1078 . 2 2 9 9 ILE HG21 H 1 0.733 0.005 . 1 . 47 . . 226 ILE HG21 . 25047 1 1079 . 2 2 9 9 ILE HG22 H 1 0.733 0.005 . 1 . 47 . . 226 ILE HG22 . 25047 1 1080 . 2 2 9 9 ILE HG23 H 1 0.733 0.005 . 1 . 47 . . 226 ILE HG23 . 25047 1 1081 . 2 2 9 9 ILE HD11 H 1 0.598 0.020 . 1 . 52 . . 226 ILE HD11 . 25047 1 1082 . 2 2 9 9 ILE HD12 H 1 0.598 0.020 . 1 . 52 . . 226 ILE HD12 . 25047 1 1083 . 2 2 9 9 ILE HD13 H 1 0.598 0.020 . 1 . 52 . . 226 ILE HD13 . 25047 1 1084 . 2 2 9 9 ILE CA C 13 62.104 0.074 . 1 . 43 . . 226 ILE CA . 25047 1 1085 . 2 2 9 9 ILE CB C 13 39.627 0.043 . 1 . 45 . . 226 ILE CB . 25047 1 1086 . 2 2 9 9 ILE CG1 C 13 29.197 0.063 . 1 . 49 . . 226 ILE CG1 . 25047 1 1087 . 2 2 9 9 ILE CG2 C 13 17.370 0.013 . 1 . 48 . . 226 ILE CG2 . 25047 1 1088 . 2 2 9 9 ILE CD1 C 13 14.582 0.034 . 1 . 53 . . 226 ILE CD1 . 25047 1 1089 . 2 2 9 9 ILE N N 15 119.703 0.025 . 1 . 41 . . 226 ILE N . 25047 1 1090 . 2 2 10 10 MET H H 1 8.625 0.003 . 1 . 55 . . 227 MET H . 25047 1 1091 . 2 2 10 10 MET HA H 1 4.639 0.005 . 1 . 57 . . 227 MET HA . 25047 1 1092 . 2 2 10 10 MET HB2 H 1 1.923 0.006 . 2 . 59 . . 227 MET HB2 . 25047 1 1093 . 2 2 10 10 MET HB3 H 1 1.999 0.016 . 2 . 60 . . 227 MET HB3 . 25047 1 1094 . 2 2 10 10 MET HG2 H 1 2.589 0.004 . 2 . 62 . . 227 MET HG2 . 25047 1 1095 . 2 2 10 10 MET HG3 H 1 2.802 0.003 . 2 . 63 . . 227 MET HG3 . 25047 1 1096 . 2 2 10 10 MET CA C 13 52.996 0.120 . 1 . 56 . . 227 MET CA . 25047 1 1097 . 2 2 10 10 MET CB C 13 31.660 0.075 . 1 . 58 . . 227 MET CB . 25047 1 1098 . 2 2 10 10 MET CG C 13 32.454 0.052 . 1 . 61 . . 227 MET CG . 25047 1 1099 . 2 2 10 10 MET N N 15 129.029 0.014 . 1 . 54 . . 227 MET N . 25047 1 1100 . 2 2 11 11 PRO HA H 1 4.085 0.004 . 1 . 66 . . 228 PRO HA . 25047 1 1101 . 2 2 11 11 PRO HB2 H 1 1.993 0.020 . 2 . 68 . . 228 PRO HB2 . 25047 1 1102 . 2 2 11 11 PRO HB3 H 1 1.873 0.001 . 2 . 69 . . 228 PRO HB3 . 25047 1 1103 . 2 2 11 11 PRO HG2 H 1 1.767 0.020 . 2 . 71 . . 228 PRO HG2 . 25047 1 1104 . 2 2 11 11 PRO HG3 H 1 1.946 0.002 . 2 . 72 . . 228 PRO HG3 . 25047 1 1105 . 2 2 11 11 PRO HD2 H 1 3.562 0.005 . 2 . 73 . . 228 PRO HD2 . 25047 1 1106 . 2 2 11 11 PRO HD3 H 1 3.787 0.011 . 2 . 74 . . 228 PRO HD3 . 25047 1 1107 . 2 2 11 11 PRO CA C 13 62.723 0.019 . 1 . 65 . . 228 PRO CA . 25047 1 1108 . 2 2 11 11 PRO CB C 13 33.529 0.114 . 1 . 67 . . 228 PRO CB . 25047 1 1109 . 2 2 11 11 PRO CG C 13 27.104 0.015 . 1 . 70 . . 228 PRO CG . 25047 1 1110 . 2 2 11 11 PRO CD C 13 50.642 0.003 . 1 . 64 . . 228 PRO CD . 25047 1 1111 . 2 2 12 12 GLY H H 1 8.935 0.010 . 1 . 76 . . 229 GLY H . 25047 1 1112 . 2 2 12 12 GLY HA2 H 1 4.276 0.001 . 1 . 78 . . 229 GLY HA2 . 25047 1 1113 . 2 2 12 12 GLY HA3 H 1 4.276 0.001 . 1 . 1236 . . 229 GLY HA3 . 25047 1 1114 . 2 2 12 12 GLY CA C 13 45.608 0.020 . 1 . 77 . . 229 GLY CA . 25047 1 1115 . 2 2 12 12 GLY N N 15 109.888 0.025 . 1 . 75 . . 229 GLY N . 25047 1 1116 . 2 2 13 13 SER H H 1 8.699 0.004 . 1 . 80 . . 230 SER H . 25047 1 1117 . 2 2 13 13 SER HA H 1 4.253 0.020 . 1 . 82 . . 230 SER HA . 25047 1 1118 . 2 2 13 13 SER HB2 H 1 4.017 0.020 . 1 . 84 . . 230 SER HB2 . 25047 1 1119 . 2 2 13 13 SER HB3 H 1 4.017 0.020 . 1 . 1237 . . 230 SER HB3 . 25047 1 1120 . 2 2 13 13 SER CA C 13 61.097 0.001 . 1 . 81 . . 230 SER CA . 25047 1 1121 . 2 2 13 13 SER CB C 13 63.355 0.007 . 1 . 83 . . 230 SER CB . 25047 1 1122 . 2 2 13 13 SER N N 15 117.271 0.009 . 1 . 79 . . 230 SER N . 25047 1 1123 . 2 2 14 14 ARG H H 1 8.957 0.011 . 1 . 86 . . 231 ARG H . 25047 1 1124 . 2 2 14 14 ARG HA H 1 4.373 0.014 . 1 . 88 . . 231 ARG HA . 25047 1 1125 . 2 2 14 14 ARG HB2 H 1 1.764 0.014 . 2 . 90 . . 231 ARG HB2 . 25047 1 1126 . 2 2 14 14 ARG HB3 H 1 1.987 0.020 . 2 . 91 . . 231 ARG HB3 . 25047 1 1127 . 2 2 14 14 ARG HG2 H 1 1.703 0.016 . 2 . 93 . . 231 ARG HG2 . 25047 1 1128 . 2 2 14 14 ARG HG3 H 1 1.679 0.007 . 2 . 94 . . 231 ARG HG3 . 25047 1 1129 . 2 2 14 14 ARG HD2 H 1 3.160 0.010 . 2 . 96 . . 231 ARG HD2 . 25047 1 1130 . 2 2 14 14 ARG HD3 H 1 3.189 0.004 . 2 . 97 . . 231 ARG HD3 . 25047 1 1131 . 2 2 14 14 ARG CA C 13 55.230 0.009 . 1 . 87 . . 231 ARG CA . 25047 1 1132 . 2 2 14 14 ARG CB C 13 29.064 0.160 . 1 . 89 . . 231 ARG CB . 25047 1 1133 . 2 2 14 14 ARG CG C 13 27.351 0.070 . 1 . 92 . . 231 ARG CG . 25047 1 1134 . 2 2 14 14 ARG CD C 13 42.423 0.160 . 1 . 95 . . 231 ARG CD . 25047 1 1135 . 2 2 14 14 ARG N N 15 118.298 0.005 . 1 . 85 . . 231 ARG N . 25047 1 1136 . 2 2 15 15 TRP H H 1 7.748 0.003 . 1 . 99 . . 232 TRP H . 25047 1 1137 . 2 2 15 15 TRP HA H 1 5.229 0.010 . 1 . 101 . . 232 TRP HA . 25047 1 1138 . 2 2 15 15 TRP HB2 H 1 2.777 0.020 . 2 . 103 . . 232 TRP HB2 . 25047 1 1139 . 2 2 15 15 TRP HB3 H 1 3.402 0.011 . 2 . 104 . . 232 TRP HB3 . 25047 1 1140 . 2 2 15 15 TRP HD1 H 1 7.989 0.002 . 1 . 108 . . 232 TRP HD1 . 25047 1 1141 . 2 2 15 15 TRP HE1 H 1 10.367 0.020 . 1 . 112 . . 232 TRP HE1 . 25047 1 1142 . 2 2 15 15 TRP HE3 H 1 7.586 0.008 . 1 . 109 . . 232 TRP HE3 . 25047 1 1143 . 2 2 15 15 TRP HZ2 H 1 6.677 0.007 . 1 . 115 . . 232 TRP HZ2 . 25047 1 1144 . 2 2 15 15 TRP HZ3 H 1 7.155 0.009 . 1 . 113 . . 232 TRP HZ3 . 25047 1 1145 . 2 2 15 15 TRP HH2 H 1 7.000 0.007 . 1 . 116 . . 232 TRP HH2 . 25047 1 1146 . 2 2 15 15 TRP CA C 13 57.633 0.052 . 1 . 100 . . 232 TRP CA . 25047 1 1147 . 2 2 15 15 TRP CB C 13 28.131 0.123 . 1 . 102 . . 232 TRP CB . 25047 1 1148 . 2 2 15 15 TRP CD1 C 13 126.939 0.200 . 1 . 105 . . 232 TRP CD1 . 25047 1 1149 . 2 2 15 15 TRP CE3 C 13 121.166 0.102 . 1 . 106 . . 232 TRP CE3 . 25047 1 1150 . 2 2 15 15 TRP CZ2 C 13 113.892 0.329 . 1 . 111 . . 232 TRP CZ2 . 25047 1 1151 . 2 2 15 15 TRP CZ3 C 13 122.917 0.088 . 1 . 110 . . 232 TRP CZ3 . 25047 1 1152 . 2 2 15 15 TRP CH2 C 13 125.540 0.072 . 1 . 114 . . 232 TRP CH2 . 25047 1 1153 . 2 2 15 15 TRP N N 15 119.732 0.011 . 1 . 98 . . 232 TRP N . 25047 1 1154 . 2 2 15 15 TRP NE1 N 15 135.753 0.014 . 1 . 107 . . 232 TRP NE1 . 25047 1 1155 . 2 2 16 16 ASP H H 1 7.567 0.006 . 1 . 118 . . 233 ASP H . 25047 1 1156 . 2 2 16 16 ASP HA H 1 4.251 0.005 . 1 . 120 . . 233 ASP HA . 25047 1 1157 . 2 2 16 16 ASP HB2 H 1 2.538 0.004 . 2 . 122 . . 233 ASP HB2 . 25047 1 1158 . 2 2 16 16 ASP HB3 H 1 2.855 0.002 . 2 . 123 . . 233 ASP HB3 . 25047 1 1159 . 2 2 16 16 ASP CA C 13 53.439 0.058 . 1 . 119 . . 233 ASP CA . 25047 1 1160 . 2 2 16 16 ASP CB C 13 40.002 0.030 . 1 . 121 . . 233 ASP CB . 25047 1 1161 . 2 2 16 16 ASP N N 15 128.547 0.043 . 1 . 117 . . 233 ASP N . 25047 1 1162 . 2 2 17 17 GLY H H 1 4.616 0.006 . 1 . 125 . . 234 GLY H . 25047 1 1163 . 2 2 17 17 GLY HA2 H 1 3.135 0.005 . 1 . 127 . . 234 GLY HA2 . 25047 1 1164 . 2 2 17 17 GLY HA3 H 1 3.135 0.005 . 1 . 1238 . . 234 GLY HA3 . 25047 1 1165 . 2 2 17 17 GLY CA C 13 44.109 0.041 . 1 . 126 . . 234 GLY CA . 25047 1 1166 . 2 2 17 17 GLY N N 15 123.208 0.037 . 1 . 124 . . 234 GLY N . 25047 1 1167 . 2 2 18 18 VAL H H 1 6.772 0.002 . 1 . 129 . . 235 VAL H . 25047 1 1168 . 2 2 18 18 VAL HA H 1 3.798 0.001 . 1 . 131 . . 235 VAL HA . 25047 1 1169 . 2 2 18 18 VAL HB H 1 2.081 0.010 . 1 . 133 . . 235 VAL HB . 25047 1 1170 . 2 2 18 18 VAL HG11 H 1 0.813 0.003 . 2 . 134 . . 235 VAL HG11 . 25047 1 1171 . 2 2 18 18 VAL HG12 H 1 0.813 0.003 . 2 . 134 . . 235 VAL HG12 . 25047 1 1172 . 2 2 18 18 VAL HG13 H 1 0.813 0.003 . 2 . 134 . . 235 VAL HG13 . 25047 1 1173 . 2 2 18 18 VAL HG21 H 1 0.610 0.002 . 2 . 135 . . 235 VAL HG21 . 25047 1 1174 . 2 2 18 18 VAL HG22 H 1 0.610 0.002 . 2 . 135 . . 235 VAL HG22 . 25047 1 1175 . 2 2 18 18 VAL HG23 H 1 0.610 0.002 . 2 . 135 . . 235 VAL HG23 . 25047 1 1176 . 2 2 18 18 VAL CA C 13 61.979 0.027 . 1 . 130 . . 235 VAL CA . 25047 1 1177 . 2 2 18 18 VAL CB C 13 31.713 0.033 . 1 . 132 . . 235 VAL CB . 25047 1 1178 . 2 2 18 18 VAL CG1 C 13 20.313 0.042 . 2 . 136 . . 235 VAL CG1 . 25047 1 1179 . 2 2 18 18 VAL CG2 C 13 21.185 0.008 . 2 . 137 . . 235 VAL CG2 . 25047 1 1180 . 2 2 18 18 VAL N N 15 122.109 0.032 . 1 . 128 . . 235 VAL N . 25047 1 1181 . 2 2 19 19 HIS H H 1 8.767 0.003 . 1 . 139 . . 236 HIS H . 25047 1 1182 . 2 2 19 19 HIS HA H 1 5.348 0.020 . 1 . 141 . . 236 HIS HA . 25047 1 1183 . 2 2 19 19 HIS HB2 H 1 3.325 0.020 . 1 . 143 . . 236 HIS HB2 . 25047 1 1184 . 2 2 19 19 HIS HB3 H 1 3.325 0.020 . 1 . 1239 . . 236 HIS HB3 . 25047 1 1185 . 2 2 19 19 HIS HD2 H 1 7.383 0.020 . 1 . 146 . . 236 HIS HD2 . 25047 1 1186 . 2 2 19 19 HIS HE1 H 1 8.854 0.011 . 1 . 147 . . 236 HIS HE1 . 25047 1 1187 . 2 2 19 19 HIS CA C 13 54.888 0.020 . 1 . 140 . . 236 HIS CA . 25047 1 1188 . 2 2 19 19 HIS CB C 13 28.734 0.042 . 1 . 142 . . 236 HIS CB . 25047 1 1189 . 2 2 19 19 HIS CD2 C 13 120.946 0.200 . 1 . 144 . . 236 HIS CD2 . 25047 1 1190 . 2 2 19 19 HIS CE1 C 13 137.252 0.104 . 1 . 145 . . 236 HIS CE1 . 25047 1 1191 . 2 2 19 19 HIS N N 15 126.628 0.014 . 1 . 138 . . 236 HIS N . 25047 1 1192 . 2 2 20 20 ARG H H 1 10.985 0.011 . 1 . 149 . . 237 ARG H . 25047 1 1193 . 2 2 20 20 ARG HA H 1 4.011 0.012 . 1 . 151 . . 237 ARG HA . 25047 1 1194 . 2 2 20 20 ARG HB2 H 1 -0.094 0.028 . 2 . 153 . . 237 ARG HB2 . 25047 1 1195 . 2 2 20 20 ARG HB3 H 1 1.558 0.013 . 2 . 154 . . 237 ARG HB3 . 25047 1 1196 . 2 2 20 20 ARG HG2 H 1 1.175 0.007 . 1 . 156 . . 237 ARG HG2 . 25047 1 1197 . 2 2 20 20 ARG HG3 H 1 1.175 0.007 . 1 . 1241 . . 237 ARG HG3 . 25047 1 1198 . 2 2 20 20 ARG HD2 H 1 2.654 0.020 . 1 . 158 . . 237 ARG HD2 . 25047 1 1199 . 2 2 20 20 ARG HD3 H 1 2.654 0.020 . 1 . 1240 . . 237 ARG HD3 . 25047 1 1200 . 2 2 20 20 ARG HE H 1 7.483 0.020 . 1 . 160 . . 237 ARG HE . 25047 1 1201 . 2 2 20 20 ARG CA C 13 54.892 0.049 . 1 . 150 . . 237 ARG CA . 25047 1 1202 . 2 2 20 20 ARG CB C 13 30.008 0.033 . 1 . 152 . . 237 ARG CB . 25047 1 1203 . 2 2 20 20 ARG CG C 13 28.037 0.353 . 1 . 155 . . 237 ARG CG . 25047 1 1204 . 2 2 20 20 ARG CD C 13 42.023 0.200 . 1 . 157 . . 237 ARG CD . 25047 1 1205 . 2 2 20 20 ARG N N 15 134.091 0.072 . 1 . 148 . . 237 ARG N . 25047 1 1206 . 2 2 20 20 ARG NE N 15 83.120 0.054 . 1 . 159 . . 237 ARG NE . 25047 1 1207 . 2 2 21 21 SER H H 1 7.853 0.015 . 1 . 162 . . 238 SER H . 25047 1 1208 . 2 2 21 21 SER HA H 1 4.366 0.010 . 1 . 164 . . 238 SER HA . 25047 1 1209 . 2 2 21 21 SER HB2 H 1 3.133 0.020 . 2 . 166 . . 238 SER HB2 . 25047 1 1210 . 2 2 21 21 SER HB3 H 1 4.005 0.008 . 2 . 167 . . 238 SER HB3 . 25047 1 1211 . 2 2 21 21 SER CA C 13 55.962 0.200 . 1 . 163 . . 238 SER CA . 25047 1 1212 . 2 2 21 21 SER CB C 13 64.931 0.122 . 1 . 165 . . 238 SER CB . 25047 1 1213 . 2 2 21 21 SER N N 15 115.716 0.040 . 1 . 161 . . 238 SER N . 25047 1 1214 . 2 2 22 22 ASN H H 1 9.418 0.007 . 1 . 169 . . 239 ASN H . 25047 1 1215 . 2 2 22 22 ASN HA H 1 4.831 0.002 . 1 . 171 . . 239 ASN HA . 25047 1 1216 . 2 2 22 22 ASN HB2 H 1 2.575 0.001 . 2 . 173 . . 239 ASN HB2 . 25047 1 1217 . 2 2 22 22 ASN HB3 H 1 3.480 0.005 . 2 . 174 . . 239 ASN HB3 . 25047 1 1218 . 2 2 22 22 ASN HD21 H 1 7.886 0.004 . 1 . 176 . . 239 ASN HD21 . 25047 1 1219 . 2 2 22 22 ASN HD22 H 1 7.392 0.020 . 1 . 177 . . 239 ASN HD22 . 25047 1 1220 . 2 2 22 22 ASN CA C 13 53.659 0.044 . 1 . 170 . . 239 ASN CA . 25047 1 1221 . 2 2 22 22 ASN CB C 13 38.288 0.070 . 1 . 172 . . 239 ASN CB . 25047 1 1222 . 2 2 22 22 ASN N N 15 126.368 0.047 . 1 . 168 . . 239 ASN N . 25047 1 1223 . 2 2 22 22 ASN ND2 N 15 110.430 0.079 . 1 . 175 . . 239 ASN ND2 . 25047 1 1224 . 2 2 23 23 GLY H H 1 9.411 0.008 . 1 . 179 . . 240 GLY H . 25047 1 1225 . 2 2 23 23 GLY HA2 H 1 3.845 0.020 . 2 . 181 . . 240 GLY HA2 . 25047 1 1226 . 2 2 23 23 GLY HA3 H 1 4.582 0.020 . 2 . 182 . . 240 GLY HA3 . 25047 1 1227 . 2 2 23 23 GLY CA C 13 44.859 0.046 . 1 . 180 . . 240 GLY CA . 25047 1 1228 . 2 2 23 23 GLY N N 15 108.533 0.037 . 1 . 178 . . 240 GLY N . 25047 1 1229 . 2 2 24 24 PHE H H 1 8.674 0.005 . 1 . 184 . . 241 PHE H . 25047 1 1230 . 2 2 24 24 PHE HA H 1 3.798 0.001 . 1 . 186 . . 241 PHE HA . 25047 1 1231 . 2 2 24 24 PHE HB2 H 1 2.621 0.020 . 2 . 188 . . 241 PHE HB2 . 25047 1 1232 . 2 2 24 24 PHE HB3 H 1 3.539 0.005 . 2 . 189 . . 241 PHE HB3 . 25047 1 1233 . 2 2 24 24 PHE HD1 H 1 7.127 0.001 . 1 . 190 . . 241 PHE HD1 . 25047 1 1234 . 2 2 24 24 PHE HD2 H 1 7.127 0.001 . 1 . 190 . . 241 PHE HD2 . 25047 1 1235 . 2 2 24 24 PHE CA C 13 63.349 0.030 . 1 . 185 . . 241 PHE CA . 25047 1 1236 . 2 2 24 24 PHE CB C 13 39.707 0.097 . 1 . 187 . . 241 PHE CB . 25047 1 1237 . 2 2 24 24 PHE CD1 C 13 132.384 0.092 . 1 . 191 . . 241 PHE CD1 . 25047 1 1238 . 2 2 24 24 PHE CD2 C 13 132.384 0.092 . 1 . 191 . . 241 PHE CD2 . 25047 1 1239 . 2 2 24 24 PHE N N 15 122.837 0.036 . 1 . 183 . . 241 PHE N . 25047 1 1240 . 2 2 25 25 GLU H H 1 8.656 0.020 . 1 . 193 . . 242 GLU H . 25047 1 1241 . 2 2 25 25 GLU HA H 1 3.953 0.020 . 1 . 195 . . 242 GLU HA . 25047 1 1242 . 2 2 25 25 GLU HB2 H 1 2.114 0.004 . 2 . 197 . . 242 GLU HB2 . 25047 1 1243 . 2 2 25 25 GLU HB3 H 1 2.688 0.020 . 2 . 198 . . 242 GLU HB3 . 25047 1 1244 . 2 2 25 25 GLU HG2 H 1 2.602 0.020 . 1 . 200 . . 242 GLU HG2 . 25047 1 1245 . 2 2 25 25 GLU HG3 H 1 2.602 0.020 . 1 . 1242 . . 242 GLU HG3 . 25047 1 1246 . 2 2 25 25 GLU CA C 13 60.461 0.046 . 1 . 194 . . 242 GLU CA . 25047 1 1247 . 2 2 25 25 GLU CB C 13 29.556 0.026 . 1 . 196 . . 242 GLU CB . 25047 1 1248 . 2 2 25 25 GLU CG C 13 36.929 0.200 . 1 . 199 . . 242 GLU CG . 25047 1 1249 . 2 2 25 25 GLU N N 15 121.450 0.023 . 1 . 192 . . 242 GLU N . 25047 1 1250 . 2 2 26 26 GLU H H 1 8.473 0.003 . 1 . 202 . . 243 GLU H . 25047 1 1251 . 2 2 26 26 GLU HA H 1 4.191 0.003 . 1 . 204 . . 243 GLU HA . 25047 1 1252 . 2 2 26 26 GLU HB2 H 1 2.090 0.020 . 2 . 206 . . 243 GLU HB2 . 25047 1 1253 . 2 2 26 26 GLU HB3 H 1 2.148 0.020 . 2 . 207 . . 243 GLU HB3 . 25047 1 1254 . 2 2 26 26 GLU HG2 H 1 2.408 0.014 . 1 . 209 . . 243 GLU HG2 . 25047 1 1255 . 2 2 26 26 GLU HG3 H 1 2.408 0.014 . 1 . 1243 . . 243 GLU HG3 . 25047 1 1256 . 2 2 26 26 GLU CA C 13 59.865 0.030 . 1 . 203 . . 243 GLU CA . 25047 1 1257 . 2 2 26 26 GLU CB C 13 29.770 0.027 . 1 . 205 . . 243 GLU CB . 25047 1 1258 . 2 2 26 26 GLU CG C 13 37.202 0.003 . 1 . 208 . . 243 GLU CG . 25047 1 1259 . 2 2 26 26 GLU N N 15 116.282 0.025 . 1 . 201 . . 243 GLU N . 25047 1 1260 . 2 2 27 27 LYS H H 1 7.662 0.012 . 1 . 211 . . 244 LYS H . 25047 1 1261 . 2 2 27 27 LYS HA H 1 3.998 0.004 . 1 . 213 . . 244 LYS HA . 25047 1 1262 . 2 2 27 27 LYS HB2 H 1 1.704 0.020 . 2 . 215 . . 244 LYS HB2 . 25047 1 1263 . 2 2 27 27 LYS HB3 H 1 1.556 0.020 . 2 . 216 . . 244 LYS HB3 . 25047 1 1264 . 2 2 27 27 LYS HG2 H 1 1.227 0.004 . 2 . 218 . . 244 LYS HG2 . 25047 1 1265 . 2 2 27 27 LYS HG3 H 1 1.434 0.007 . 2 . 219 . . 244 LYS HG3 . 25047 1 1266 . 2 2 27 27 LYS HD2 H 1 1.489 0.020 . 2 . 221 . . 244 LYS HD2 . 25047 1 1267 . 2 2 27 27 LYS HD3 H 1 1.538 0.020 . 2 . 222 . . 244 LYS HD3 . 25047 1 1268 . 2 2 27 27 LYS HE2 H 1 2.851 0.015 . 1 . 224 . . 244 LYS HE2 . 25047 1 1269 . 2 2 27 27 LYS HE3 H 1 2.851 0.015 . 1 . 1244 . . 244 LYS HE3 . 25047 1 1270 . 2 2 27 27 LYS CA C 13 58.910 0.070 . 1 . 212 . . 244 LYS CA . 25047 1 1271 . 2 2 27 27 LYS CB C 13 32.059 0.059 . 1 . 214 . . 244 LYS CB . 25047 1 1272 . 2 2 27 27 LYS CG C 13 25.403 0.053 . 1 . 217 . . 244 LYS CG . 25047 1 1273 . 2 2 27 27 LYS CD C 13 29.265 0.262 . 1 . 220 . . 244 LYS CD . 25047 1 1274 . 2 2 27 27 LYS CE C 13 42.092 0.028 . 1 . 223 . . 244 LYS CE . 25047 1 1275 . 2 2 27 27 LYS N N 15 119.871 0.022 . 1 . 210 . . 244 LYS N . 25047 1 1276 . 2 2 28 28 TRP H H 1 8.421 0.003 . 1 . 226 . . 245 TRP H . 25047 1 1277 . 2 2 28 28 TRP HA H 1 3.720 0.004 . 1 . 228 . . 245 TRP HA . 25047 1 1278 . 2 2 28 28 TRP HB2 H 1 2.736 0.005 . 2 . 230 . . 245 TRP HB2 . 25047 1 1279 . 2 2 28 28 TRP HB3 H 1 3.377 0.006 . 2 . 231 . . 245 TRP HB3 . 25047 1 1280 . 2 2 28 28 TRP HD1 H 1 6.816 0.002 . 1 . 235 . . 245 TRP HD1 . 25047 1 1281 . 2 2 28 28 TRP HE1 H 1 10.013 0.004 . 1 . 239 . . 245 TRP HE1 . 25047 1 1282 . 2 2 28 28 TRP HE3 H 1 6.609 0.020 . 1 . 236 . . 245 TRP HE3 . 25047 1 1283 . 2 2 28 28 TRP HZ2 H 1 7.262 0.004 . 1 . 242 . . 245 TRP HZ2 . 25047 1 1284 . 2 2 28 28 TRP HZ3 H 1 6.742 0.004 . 1 . 240 . . 245 TRP HZ3 . 25047 1 1285 . 2 2 28 28 TRP HH2 H 1 7.045 0.003 . 1 . 243 . . 245 TRP HH2 . 25047 1 1286 . 2 2 28 28 TRP CA C 13 61.508 0.027 . 1 . 227 . . 245 TRP CA . 25047 1 1287 . 2 2 28 28 TRP CB C 13 28.715 0.084 . 1 . 229 . . 245 TRP CB . 25047 1 1288 . 2 2 28 28 TRP CD1 C 13 126.404 0.200 . 1 . 232 . . 245 TRP CD1 . 25047 1 1289 . 2 2 28 28 TRP CE3 C 13 120.769 0.200 . 1 . 233 . . 245 TRP CE3 . 25047 1 1290 . 2 2 28 28 TRP CZ2 C 13 114.308 0.133 . 1 . 238 . . 245 TRP CZ2 . 25047 1 1291 . 2 2 28 28 TRP CZ3 C 13 121.842 0.200 . 1 . 237 . . 245 TRP CZ3 . 25047 1 1292 . 2 2 28 28 TRP CH2 C 13 124.320 0.020 . 1 . 241 . . 245 TRP CH2 . 25047 1 1293 . 2 2 28 28 TRP N N 15 122.767 0.025 . 1 . 225 . . 245 TRP N . 25047 1 1294 . 2 2 28 28 TRP NE1 N 15 128.831 0.049 . 1 . 234 . . 245 TRP NE1 . 25047 1 1295 . 2 2 29 29 PHE H H 1 8.299 0.012 . 1 . 245 . . 246 PHE H . 25047 1 1296 . 2 2 29 29 PHE HA H 1 4.207 0.001 . 1 . 247 . . 246 PHE HA . 25047 1 1297 . 2 2 29 29 PHE HB2 H 1 3.222 0.005 . 2 . 249 . . 246 PHE HB2 . 25047 1 1298 . 2 2 29 29 PHE HB3 H 1 3.001 0.020 . 2 . 250 . . 246 PHE HB3 . 25047 1 1299 . 2 2 29 29 PHE HD1 H 1 7.495 0.006 . 1 . 251 . . 246 PHE HD1 . 25047 1 1300 . 2 2 29 29 PHE HD2 H 1 7.495 0.006 . 1 . 251 . . 246 PHE HD2 . 25047 1 1301 . 2 2 29 29 PHE HE1 H 1 7.282 0.002 . 1 . 252 . . 246 PHE HE1 . 25047 1 1302 . 2 2 29 29 PHE HE2 H 1 7.282 0.002 . 1 . 252 . . 246 PHE HE2 . 25047 1 1303 . 2 2 29 29 PHE HZ H 1 6.856 0.006 . 1 . 255 . . 246 PHE HZ . 25047 1 1304 . 2 2 29 29 PHE CA C 13 61.018 0.016 . 1 . 246 . . 246 PHE CA . 25047 1 1305 . 2 2 29 29 PHE CB C 13 39.300 0.055 . 1 . 248 . . 246 PHE CB . 25047 1 1306 . 2 2 29 29 PHE CD1 C 13 132.423 0.018 . 1 . 256 . . 246 PHE CD1 . 25047 1 1307 . 2 2 29 29 PHE CD2 C 13 132.423 0.018 . 1 . 256 . . 246 PHE CD2 . 25047 1 1308 . 2 2 29 29 PHE CE1 C 13 131.156 0.020 . 1 . 253 . . 246 PHE CE1 . 25047 1 1309 . 2 2 29 29 PHE CE2 C 13 131.156 0.020 . 1 . 253 . . 246 PHE CE2 . 25047 1 1310 . 2 2 29 29 PHE CZ C 13 128.956 0.120 . 1 . 254 . . 246 PHE CZ . 25047 1 1311 . 2 2 29 29 PHE N N 15 116.991 0.013 . 1 . 244 . . 246 PHE N . 25047 1 1312 . 2 2 30 30 ALA H H 1 7.556 0.008 . 1 . 258 . . 247 ALA H . 25047 1 1313 . 2 2 30 30 ALA HA H 1 4.228 0.020 . 1 . 260 . . 247 ALA HA . 25047 1 1314 . 2 2 30 30 ALA HB1 H 1 1.451 0.020 . 1 . 261 . . 247 ALA HB1 . 25047 1 1315 . 2 2 30 30 ALA HB2 H 1 1.451 0.020 . 1 . 261 . . 247 ALA HB2 . 25047 1 1316 . 2 2 30 30 ALA HB3 H 1 1.451 0.020 . 1 . 261 . . 247 ALA HB3 . 25047 1 1317 . 2 2 30 30 ALA CA C 13 53.401 0.033 . 1 . 259 . . 247 ALA CA . 25047 1 1318 . 2 2 30 30 ALA CB C 13 18.823 0.002 . 1 . 262 . . 247 ALA CB . 25047 1 1319 . 2 2 30 30 ALA N N 15 120.730 0.010 . 1 . 257 . . 247 ALA N . 25047 1 1320 . 2 2 31 31 LYS H H 1 7.518 0.002 . 1 . 264 . . 248 LYS H . 25047 1 1321 . 2 2 31 31 LYS HA H 1 4.169 0.006 . 1 . 266 . . 248 LYS HA . 25047 1 1322 . 2 2 31 31 LYS HB2 H 1 1.705 0.001 . 2 . 268 . . 248 LYS HB2 . 25047 1 1323 . 2 2 31 31 LYS HB3 H 1 1.622 0.003 . 2 . 269 . . 248 LYS HB3 . 25047 1 1324 . 2 2 31 31 LYS HG2 H 1 1.255 0.012 . 1 . 271 . . 248 LYS HG2 . 25047 1 1325 . 2 2 31 31 LYS HG3 H 1 1.255 0.012 . 1 . 1247 . . 248 LYS HG3 . 25047 1 1326 . 2 2 31 31 LYS HD2 H 1 1.478 0.020 . 1 . 273 . . 248 LYS HD2 . 25047 1 1327 . 2 2 31 31 LYS HD3 H 1 1.478 0.020 . 1 . 1245 . . 248 LYS HD3 . 25047 1 1328 . 2 2 31 31 LYS HE2 H 1 2.799 0.020 . 1 . 275 . . 248 LYS HE2 . 25047 1 1329 . 2 2 31 31 LYS HE3 H 1 2.799 0.020 . 1 . 1246 . . 248 LYS HE3 . 25047 1 1330 . 2 2 31 31 LYS CA C 13 55.941 0.004 . 1 . 265 . . 248 LYS CA . 25047 1 1331 . 2 2 31 31 LYS CB C 13 32.061 0.053 . 1 . 267 . . 248 LYS CB . 25047 1 1332 . 2 2 31 31 LYS CG C 13 24.462 0.007 . 1 . 270 . . 248 LYS CG . 25047 1 1333 . 2 2 31 31 LYS CD C 13 28.887 0.046 . 1 . 272 . . 248 LYS CD . 25047 1 1334 . 2 2 31 31 LYS CE C 13 42.051 0.109 . 1 . 274 . . 248 LYS CE . 25047 1 1335 . 2 2 31 31 LYS N N 15 117.019 0.011 . 1 . 263 . . 248 LYS N . 25047 1 1336 . 2 2 32 32 GLN H H 1 7.857 0.002 . 1 . 277 . . 249 GLN H . 25047 1 1337 . 2 2 32 32 GLN HA H 1 3.867 0.002 . 1 . 279 . . 249 GLN HA . 25047 1 1338 . 2 2 32 32 GLN HB2 H 1 1.733 0.005 . 2 . 281 . . 249 GLN HB2 . 25047 1 1339 . 2 2 32 32 GLN HB3 H 1 1.891 0.010 . 2 . 282 . . 249 GLN HB3 . 25047 1 1340 . 2 2 32 32 GLN HG2 H 1 2.079 0.004 . 1 . 284 . . 249 GLN HG2 . 25047 1 1341 . 2 2 32 32 GLN HG3 H 1 2.079 0.004 . 1 . 1248 . . 249 GLN HG3 . 25047 1 1342 . 2 2 32 32 GLN HE21 H 1 7.309 0.020 . 1 . 286 . . 249 GLN HE21 . 25047 1 1343 . 2 2 32 32 GLN HE22 H 1 6.669 0.020 . 1 . 287 . . 249 GLN HE22 . 25047 1 1344 . 2 2 32 32 GLN CA C 13 56.450 0.016 . 1 . 278 . . 249 GLN CA . 25047 1 1345 . 2 2 32 32 GLN CB C 13 28.537 0.032 . 1 . 280 . . 249 GLN CB . 25047 1 1346 . 2 2 32 32 GLN CG C 13 33.649 0.023 . 1 . 283 . . 249 GLN CG . 25047 1 1347 . 2 2 32 32 GLN N N 15 118.568 0.009 . 1 . 276 . . 249 GLN N . 25047 1 1348 . 2 2 32 32 GLN NE2 N 15 112.030 0.023 . 1 . 285 . . 249 GLN NE2 . 25047 1 1349 . 2 2 33 33 ASN H H 1 8.065 0.006 . 1 . 289 . . 250 ASN H . 25047 1 1350 . 2 2 33 33 ASN HA H 1 4.535 0.001 . 1 . 291 . . 250 ASN HA . 25047 1 1351 . 2 2 33 33 ASN HB2 H 1 2.579 0.001 . 2 . 293 . . 250 ASN HB2 . 25047 1 1352 . 2 2 33 33 ASN HB3 H 1 2.432 0.020 . 2 . 294 . . 250 ASN HB3 . 25047 1 1353 . 2 2 33 33 ASN HD21 H 1 7.260 0.001 . 1 . 296 . . 250 ASN HD21 . 25047 1 1354 . 2 2 33 33 ASN HD22 H 1 6.668 0.001 . 1 . 297 . . 250 ASN HD22 . 25047 1 1355 . 2 2 33 33 ASN CA C 13 53.491 0.052 . 1 . 290 . . 250 ASN CA . 25047 1 1356 . 2 2 33 33 ASN CB C 13 39.002 0.034 . 1 . 292 . . 250 ASN CB . 25047 1 1357 . 2 2 33 33 ASN N N 15 117.864 0.009 . 1 . 288 . . 250 ASN N . 25047 1 1358 . 2 2 33 33 ASN ND2 N 15 113.001 0.016 . 1 . 295 . . 250 ASN ND2 . 25047 1 1359 . 2 2 34 34 GLU H H 1 8.249 0.014 . 1 . 299 . . 251 GLU H . 25047 1 1360 . 2 2 34 34 GLU HA H 1 4.310 0.001 . 1 . 301 . . 251 GLU HA . 25047 1 1361 . 2 2 34 34 GLU HB2 H 1 2.035 0.020 . 2 . 303 . . 251 GLU HB2 . 25047 1 1362 . 2 2 34 34 GLU HB3 H 1 1.898 0.001 . 2 . 304 . . 251 GLU HB3 . 25047 1 1363 . 2 2 34 34 GLU HG2 H 1 2.201 0.020 . 1 . 306 . . 251 GLU HG2 . 25047 1 1364 . 2 2 34 34 GLU HG3 H 1 2.201 0.020 . 1 . 1249 . . 251 GLU HG3 . 25047 1 1365 . 2 2 34 34 GLU CA C 13 56.539 0.200 . 1 . 300 . . 251 GLU CA . 25047 1 1366 . 2 2 34 34 GLU CB C 13 30.508 0.033 . 1 . 302 . . 251 GLU CB . 25047 1 1367 . 2 2 34 34 GLU CG C 13 36.266 0.200 . 1 . 305 . . 251 GLU CG . 25047 1 1368 . 2 2 34 34 GLU N N 15 120.198 0.012 . 1 . 298 . . 251 GLU N . 25047 1 1369 . 2 2 35 35 ILE H H 1 8.161 0.004 . 1 . 308 . . 252 ILE H . 25047 1 1370 . 2 2 35 35 ILE HA H 1 4.144 0.001 . 1 . 310 . . 252 ILE HA . 25047 1 1371 . 2 2 35 35 ILE HB H 1 1.863 0.005 . 1 . 312 . . 252 ILE HB . 25047 1 1372 . 2 2 35 35 ILE HG12 H 1 1.154 0.015 . 2 . 316 . . 252 ILE HG12 . 25047 1 1373 . 2 2 35 35 ILE HG13 H 1 1.442 0.003 . 2 . 317 . . 252 ILE HG13 . 25047 1 1374 . 2 2 35 35 ILE HG21 H 1 0.883 0.006 . 1 . 313 . . 252 ILE HG21 . 25047 1 1375 . 2 2 35 35 ILE HG22 H 1 0.883 0.006 . 1 . 313 . . 252 ILE HG22 . 25047 1 1376 . 2 2 35 35 ILE HG23 H 1 0.883 0.006 . 1 . 313 . . 252 ILE HG23 . 25047 1 1377 . 2 2 35 35 ILE HD11 H 1 0.782 0.020 . 1 . 318 . . 252 ILE HD11 . 25047 1 1378 . 2 2 35 35 ILE HD12 H 1 0.782 0.020 . 1 . 318 . . 252 ILE HD12 . 25047 1 1379 . 2 2 35 35 ILE HD13 H 1 0.782 0.020 . 1 . 318 . . 252 ILE HD13 . 25047 1 1380 . 2 2 35 35 ILE CA C 13 61.322 0.030 . 1 . 309 . . 252 ILE CA . 25047 1 1381 . 2 2 35 35 ILE CB C 13 38.617 0.026 . 1 . 311 . . 252 ILE CB . 25047 1 1382 . 2 2 35 35 ILE CG1 C 13 27.367 0.026 . 1 . 315 . . 252 ILE CG1 . 25047 1 1383 . 2 2 35 35 ILE CG2 C 13 17.676 0.041 . 1 . 314 . . 252 ILE CG2 . 25047 1 1384 . 2 2 35 35 ILE CD1 C 13 13.002 0.014 . 1 . 319 . . 252 ILE CD1 . 25047 1 1385 . 2 2 35 35 ILE N N 15 121.392 0.015 . 1 . 307 . . 252 ILE N . 25047 1 1386 . 2 2 36 36 ASN H H 1 8.499 0.016 . 1 . 321 . . 253 ASN H . 25047 1 1387 . 2 2 36 36 ASN HA H 1 4.768 0.004 . 1 . 322 . . 253 ASN HA . 25047 1 1388 . 2 2 36 36 ASN HB2 H 1 2.743 0.020 . 2 . 324 . . 253 ASN HB2 . 25047 1 1389 . 2 2 36 36 ASN HB3 H 1 2.845 0.020 . 2 . 325 . . 253 ASN HB3 . 25047 1 1390 . 2 2 36 36 ASN HD21 H 1 7.607 0.006 . 1 . 327 . . 253 ASN HD21 . 25047 1 1391 . 2 2 36 36 ASN HD22 H 1 6.917 0.020 . 1 . 328 . . 253 ASN HD22 . 25047 1 1392 . 2 2 36 36 ASN CB C 13 39.141 0.019 . 1 . 323 . . 253 ASN CB . 25047 1 1393 . 2 2 36 36 ASN N N 15 122.946 0.010 . 1 . 320 . . 253 ASN N . 25047 1 1394 . 2 2 36 36 ASN ND2 N 15 112.760 0.029 . 1 . 326 . . 253 ASN ND2 . 25047 1 1395 . 2 2 37 37 GLU H H 1 8.469 0.018 . 1 . 330 . . 254 GLU H . 25047 1 1396 . 2 2 37 37 GLU HA H 1 4.296 0.007 . 1 . 332 . . 254 GLU HA . 25047 1 1397 . 2 2 37 37 GLU HB2 H 1 2.068 0.020 . 2 . 334 . . 254 GLU HB2 . 25047 1 1398 . 2 2 37 37 GLU HB3 H 1 1.972 0.002 . 2 . 335 . . 254 GLU HB3 . 25047 1 1399 . 2 2 37 37 GLU HG2 H 1 2.238 0.020 . 1 . 337 . . 254 GLU HG2 . 25047 1 1400 . 2 2 37 37 GLU HG3 H 1 2.238 0.020 . 1 . 1250 . . 254 GLU HG3 . 25047 1 1401 . 2 2 37 37 GLU CA C 13 56.339 0.158 . 1 . 331 . . 254 GLU CA . 25047 1 1402 . 2 2 37 37 GLU CB C 13 30.452 0.027 . 1 . 333 . . 254 GLU CB . 25047 1 1403 . 2 2 37 37 GLU CG C 13 36.325 0.095 . 1 . 336 . . 254 GLU CG . 25047 1 1404 . 2 2 37 37 GLU N N 15 122.364 0.012 . 1 . 329 . . 254 GLU N . 25047 1 1405 . 2 2 38 38 LYS H H 1 8.346 0.005 . 1 . 339 . . 255 LYS H . 25047 1 1406 . 2 2 38 38 LYS HA H 1 4.292 0.020 . 1 . 341 . . 255 LYS HA . 25047 1 1407 . 2 2 38 38 LYS HB2 H 1 1.793 0.020 . 1 . 343 . . 255 LYS HB2 . 25047 1 1408 . 2 2 38 38 LYS HB3 H 1 1.793 0.020 . 1 . 1251 . . 255 LYS HB3 . 25047 1 1409 . 2 2 38 38 LYS HG2 H 1 1.408 0.020 . 1 . 344 . . 255 LYS HG2 . 25047 1 1410 . 2 2 38 38 LYS HG3 H 1 1.408 0.020 . 1 . 1252 . . 255 LYS HG3 . 25047 1 1411 . 2 2 38 38 LYS CA C 13 56.685 0.200 . 1 . 340 . . 255 LYS CA . 25047 1 1412 . 2 2 38 38 LYS CB C 13 32.855 0.200 . 1 . 342 . . 255 LYS CB . 25047 1 1413 . 2 2 38 38 LYS N N 15 122.689 0.031 . 1 . 338 . . 255 LYS N . 25047 1 1414 . 2 2 39 39 LYS H H 1 8.339 0.020 . 1 . 345 . . 256 LYS H . 25047 1 1415 . 2 2 39 39 LYS HA H 1 4.319 0.001 . 1 . 347 . . 256 LYS HA . 25047 1 1416 . 2 2 39 39 LYS HB2 H 1 1.838 0.020 . 1 . 348 . . 256 LYS HB2 . 25047 1 1417 . 2 2 39 39 LYS HB3 H 1 1.838 0.020 . 1 . 1253 . . 256 LYS HB3 . 25047 1 1418 . 2 2 39 39 LYS HG2 H 1 1.434 0.020 . 1 . 349 . . 256 LYS HG2 . 25047 1 1419 . 2 2 39 39 LYS HG3 H 1 1.434 0.020 . 1 . 1254 . . 256 LYS HG3 . 25047 1 1420 . 2 2 39 39 LYS CA C 13 56.251 0.046 . 1 . 346 . . 256 LYS CA . 25047 1 stop_ save_