data_17707 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 17707 _Entry.Title ; na3 ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2011-06-15 _Entry.Accession_date 2011-06-15 _Entry.Last_release_date . _Entry.Original_release_date . _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version 3.1 _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 Gerrit Daubner . . . 17707 stop_ loop_ _SG_project.SG_project_ID _SG_project.Project_name _SG_project.Full_name_of_center _SG_project.Initial_of_center _SG_project.Entry_ID 1 'not applicable' 'not applicable' . 17707 stop_ loop_ _Struct_keywords.Keywords _Struct_keywords.Text _Struct_keywords.Entry_ID 'RNA binding protein' . 17707 'RNA protein complex' . 17707 RRM . 17707 'splicing factor' . 17707 'SR protein' . 17707 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 17707 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 268 17707 '15N chemical shifts' 97 17707 '1H chemical shifts' 669 17707 stop_ loop_ _Release.Release_number _Release.Format_type _Release.Format_version _Release.Date _Release.Submission_date _Release.Type _Release.Author _Release.Detail _Release.Entry_ID 2 . . 2012-02-17 2011-06-15 udpate BMRB 'update entry citation' 17707 1 . . 2011-10-26 2011-06-15 original author 'original release' 17707 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID BMRB 17706 'Protein + RNA2' 17707 PDB 21eb 'Protein + RNA2' 17707 PDB 2LEC 'BMRB Entry Tracking System' 17707 stop_ save_ ############### # Citations # ############### save_SRSF2_RRM_+_UGGAGU _Citation.Sf_category citations _Citation.Sf_framecode SRSF2_RRM_+_UGGAGU _Citation.Entry_ID 17707 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 22002536 _Citation.Full_citation . _Citation.Title 'A syn-anti conformational difference allows SRSF2 to recognize guanines and cytosines equally well.' _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'EMBO J.' _Citation.Journal_name_full 'The EMBO journal' _Citation.Journal_volume 31 _Citation.Journal_issue 1 _Citation.Journal_ASTM . _Citation.Journal_ISSN . _Citation.Journal_CSD . _Citation.Book_title . _Citation.Book_chapter_title . _Citation.Book_volume . _Citation.Book_series . _Citation.Book_publisher . _Citation.Book_publisher_city . _Citation.Book_ISBN . _Citation.Conference_title . _Citation.Conference_site . _Citation.Conference_state_province . _Citation.Conference_country . _Citation.Conference_start_date . _Citation.Conference_end_date . _Citation.Conference_abstract_number . _Citation.Thesis_institution . _Citation.Thesis_institution_city . _Citation.Thesis_institution_country . _Citation.WWW_URL . _Citation.Page_first 162 _Citation.Page_last 174 _Citation.Year 2012 _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 Gerrit Daubner . M. . 17707 1 2 Antoine Clery . . . 17707 1 3 Sandrine Jayne . . . 17707 1 4 James Stevenin . . . 17707 1 5 'Frederic H-T' Allain . . . 17707 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 17707 _Assembly.ID 1 _Assembly.Name 'SRSF2_RRM/RNA complex' _Assembly.BMRB_code . _Assembly.Number_of_components 2 _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds . _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state . _Assembly.Molecular_mass . _Assembly.Enzyme_commission_number . _Assembly.Details . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Entity_assembly.ID _Entity_assembly.Entity_assembly_name _Entity_assembly.Entity_ID _Entity_assembly.Entity_label _Entity_assembly.Asym_ID _Entity_assembly.PDB_chain_ID _Entity_assembly.Experimental_data_reported _Entity_assembly.Physical_state _Entity_assembly.Conformational_isomer _Entity_assembly.Chemical_exchange_state _Entity_assembly.Magnetic_equivalence_group_code _Entity_assembly.Role _Entity_assembly.Details _Entity_assembly.Entry_ID _Entity_assembly.Assembly_ID 1 SRSF2_RRM 1 $SRSF2_RRM A . yes native no no . . . 17707 1 2 'RNA (5'-R(*UP*GP*GP*AP*GP*U)-3')' 2 $RNA_(5'-R(*UP*GP*GP*AP*GP*U)-3') B . yes native no no . . . 17707 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_SRSF2_RRM _Entity.Sf_category entity _Entity.Sf_framecode SRSF2_RRM _Entity.Entry_ID 17707 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name SRSF2_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 ; MGSSHHHHHHSSGLVPRGSH MASMTGGQQMGRGSMSYGRP PPDVEGMTSLKVDNLTYRTS PDTLRRVFEKYGRVGDVYIP RDRYTKESRGFAFVRFHDKR DAEDAMDAMDGAVLDGRELR VQMARYGRPPDSHHS ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details 'Residues 1-34 present the HIS and T7 Tag; Residues 35-131 the RRM domain.' _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 135 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'not present' _Entity.Src_method man _Entity.Parent_entity_ID . _Entity.Fragment 'RNA Recognition Domain' _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 11705.210 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date 2015-11-25 loop_ _Entity_db_link.Ordinal _Entity_db_link.Author_supplied _Entity_db_link.Database_code _Entity_db_link.Accession_code _Entity_db_link.Entry_mol_code _Entity_db_link.Entry_mol_name _Entity_db_link.Entry_experimental_method _Entity_db_link.Entry_structure_resolution _Entity_db_link.Entry_relation_type _Entity_db_link.Entry_details _Entity_db_link.Chimera_segment_ID _Entity_db_link.Seq_query_to_submitted_percent _Entity_db_link.Seq_subject_length _Entity_db_link.Seq_identity _Entity_db_link.Seq_positive _Entity_db_link.Seq_homology_expectation_val _Entity_db_link.Seq_align_begin _Entity_db_link.Seq_align_end _Entity_db_link.Seq_difference_details _Entity_db_link.Seq_alignment_details _Entity_db_link.Entry_ID _Entity_db_link.Entity_ID 1 no BMRB 16444 . SC35 . . . . . 68.89 158 100.00 100.00 2.63e-59 . . . . 17707 1 2 no BMRB 17705 . SRSF2_RRM . . . . . 100.00 135 100.00 100.00 3.55e-91 . . . . 17707 1 3 no BMRB 17706 . SRSF2_RRM . . . . . 100.00 135 100.00 100.00 3.55e-91 . . . . 17707 1 4 no PDB 2KN4 . "The Structure Of The Rrm Domain Of Sc35" . . . . . 68.89 158 100.00 100.00 2.63e-59 . . . . 17707 1 5 no PDB 2LEA . "Solution Structure Of Human Srsf2 (Sc35) Rrm" . . . . . 100.00 135 100.00 100.00 3.55e-91 . . . . 17707 1 6 no PDB 2LEB . "Solution Structure Of Human Srsf2 (Sc35) Rrm In Complex With 5'- Uccagu-3'" . . . . . 100.00 135 100.00 100.00 3.55e-91 . . . . 17707 1 7 no PDB 2LEC . "Solution Structure Of Human Srsf2 (Sc35) Rrm In Complex With 5'- Uggagu-3'" . . . . . 100.00 135 100.00 100.00 3.55e-91 . . . . 17707 1 8 no DBJ BAC03903 . "unnamed protein product [Homo sapiens]" . . . . . 68.89 201 98.92 98.92 7.22e-61 . . . . 17707 1 9 no DBJ BAC04206 . "unnamed protein product [Homo sapiens]" . . . . . 58.52 186 100.00 100.00 1.19e-47 . . . . 17707 1 10 no DBJ BAC36346 . "unnamed protein product [Mus musculus]" . . . . . 74.81 254 100.00 100.00 3.37e-66 . . . . 17707 1 11 no DBJ BAC39610 . "unnamed protein product [Mus musculus]" . . . . . 74.81 221 100.00 100.00 1.46e-67 . . . . 17707 1 12 no DBJ BAC40111 . "unnamed protein product [Mus musculus]" . . . . . 74.81 221 100.00 100.00 1.46e-67 . . . . 17707 1 13 no EMBL CAA44306 . "PR 264 [Gallus gallus]" . . . . . 74.81 221 100.00 100.00 6.82e-68 . . . . 17707 1 14 no EMBL CAA44307 . "PR 264 [Homo sapiens]" . . . . . 74.81 221 100.00 100.00 1.46e-67 . . . . 17707 1 15 no EMBL CAA53383 . "PR264/SC35 [Homo sapiens]" . . . . . 74.81 221 100.00 100.00 1.46e-67 . . . . 17707 1 16 no EMBL CAA67134 . "PR264/SC35 [Mus musculus]" . . . . . 74.81 121 100.00 100.00 1.47e-64 . . . . 17707 1 17 no EMBL CAJ82901 . "splicing factor, arginine/serine-rich 2 [Xenopus (Silurana) tropicalis]" . . . . . 74.07 220 99.00 100.00 1.02e-66 . . . . 17707 1 18 no GB AAA60306 . "splicing factor [Homo sapiens]" . . . . . 74.81 221 99.01 99.01 1.91e-66 . . . . 17707 1 19 no GB AAC71000 . "splicing factor SC35 [Mus musculus]" . . . . . 74.81 221 100.00 100.00 1.46e-67 . . . . 17707 1 20 no GB AAH00339 . "SFRS2 protein [Homo sapiens]" . . . . . 74.81 221 100.00 100.00 1.46e-67 . . . . 17707 1 21 no GB AAH01303 . "SFRS2 protein [Homo sapiens]" . . . . . 74.81 221 100.00 100.00 1.46e-67 . . . . 17707 1 22 no GB AAH05493 . "Sfrs2 protein [Mus musculus]" . . . . . 74.81 221 100.00 100.00 1.46e-67 . . . . 17707 1 23 no PIR A42701 . "splicing factor SFRS2 - human" . . . . . 74.81 221 100.00 100.00 1.46e-67 . . . . 17707 1 24 no PRF 1805195A . "RNA-binding protein PR264 [Gallus gallus]" . . . . . 74.81 221 100.00 100.00 6.82e-68 . . . . 17707 1 25 no PRF 1805195B . "RNA-binding protein PR264" . . . . . 74.81 221 100.00 100.00 1.46e-67 . . . . 17707 1 26 no REF NP_001001305 . "serine/arginine-rich splicing factor 2 [Gallus gallus]" . . . . . 74.81 221 100.00 100.00 6.82e-68 . . . . 17707 1 27 no REF NP_001009720 . "serine/arginine-rich splicing factor 2 [Rattus norvegicus]" . . . . . 74.81 221 100.00 100.00 1.46e-67 . . . . 17707 1 28 no REF NP_001029290 . "serine/arginine-rich splicing factor 2 [Pan troglodytes]" . . . . . 74.81 221 100.00 100.00 2.02e-67 . . . . 17707 1 29 no REF NP_001029490 . "serine/arginine-rich splicing factor 2 [Bos taurus]" . . . . . 74.81 221 100.00 100.00 1.46e-67 . . . . 17707 1 30 no REF NP_001070697 . "serine/arginine-rich splicing factor 2 [Sus scrofa]" . . . . . 74.81 221 100.00 100.00 1.16e-67 . . . . 17707 1 31 no SP P30352 . "RecName: Full=Serine/arginine-rich splicing factor 2; AltName: Full=Protein PR264; AltName: Full=Splicing component, 35 kDa; Al" . . . . . 74.81 221 100.00 100.00 6.82e-68 . . . . 17707 1 32 no SP Q01130 . "RecName: Full=Serine/arginine-rich splicing factor 2; AltName: Full=Protein PR264; AltName: Full=Splicing component, 35 kDa; Al" . . . . . 74.81 221 100.00 100.00 1.46e-67 . . . . 17707 1 33 no SP Q06A98 . "RecName: Full=Serine/arginine-rich splicing factor 2; AltName: Full=Splicing component, 35 kDa; AltName: Full=Splicing factor S" . . . . . 74.81 221 100.00 100.00 1.16e-67 . . . . 17707 1 34 no SP Q3MHR5 . "RecName: Full=Serine/arginine-rich splicing factor 2; AltName: Full=Splicing component, 35 kDa; AltName: Full=Splicing factor S" . . . . . 74.81 221 100.00 100.00 1.46e-67 . . . . 17707 1 35 no SP Q5R1W5 . "RecName: Full=Serine/arginine-rich splicing factor 2; AltName: Full=Splicing component, 35 kDa; AltName: Full=Splicing factor S" . . . . . 74.81 221 100.00 100.00 2.02e-67 . . . . 17707 1 36 no TPG DAA18198 . "TPA: splicing factor, arginine/serine-rich 2 [Bos taurus]" . . . . . 74.81 221 100.00 100.00 1.46e-67 . . . . 17707 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 -33 MET . 17707 1 2 -32 GLY . 17707 1 3 -31 SER . 17707 1 4 -30 SER . 17707 1 5 -29 HIS . 17707 1 6 -28 HIS . 17707 1 7 -27 HIS . 17707 1 8 -26 HIS . 17707 1 9 -25 HIS . 17707 1 10 -24 HIS . 17707 1 11 -23 SER . 17707 1 12 -22 SER . 17707 1 13 -21 GLY . 17707 1 14 -20 LEU . 17707 1 15 -19 VAL . 17707 1 16 -18 PRO . 17707 1 17 -17 ARG . 17707 1 18 -16 GLY . 17707 1 19 -15 SER . 17707 1 20 -14 HIS . 17707 1 21 -13 MET . 17707 1 22 -12 ALA . 17707 1 23 -11 SER . 17707 1 24 -10 MET . 17707 1 25 -9 THR . 17707 1 26 -8 GLY . 17707 1 27 -7 GLY . 17707 1 28 -6 GLN . 17707 1 29 -5 GLN . 17707 1 30 -4 MET . 17707 1 31 -3 GLY . 17707 1 32 -2 ARG . 17707 1 33 -1 GLY . 17707 1 34 0 SER . 17707 1 35 1 MET . 17707 1 36 2 SER . 17707 1 37 3 TYR . 17707 1 38 4 GLY . 17707 1 39 5 ARG . 17707 1 40 6 PRO . 17707 1 41 7 PRO . 17707 1 42 8 PRO . 17707 1 43 9 ASP . 17707 1 44 10 VAL . 17707 1 45 11 GLU . 17707 1 46 12 GLY . 17707 1 47 13 MET . 17707 1 48 14 THR . 17707 1 49 15 SER . 17707 1 50 16 LEU . 17707 1 51 17 LYS . 17707 1 52 18 VAL . 17707 1 53 19 ASP . 17707 1 54 20 ASN . 17707 1 55 21 LEU . 17707 1 56 22 THR . 17707 1 57 23 TYR . 17707 1 58 24 ARG . 17707 1 59 25 THR . 17707 1 60 26 SER . 17707 1 61 27 PRO . 17707 1 62 28 ASP . 17707 1 63 29 THR . 17707 1 64 30 LEU . 17707 1 65 31 ARG . 17707 1 66 32 ARG . 17707 1 67 33 VAL . 17707 1 68 34 PHE . 17707 1 69 35 GLU . 17707 1 70 36 LYS . 17707 1 71 37 TYR . 17707 1 72 38 GLY . 17707 1 73 39 ARG . 17707 1 74 40 VAL . 17707 1 75 41 GLY . 17707 1 76 42 ASP . 17707 1 77 43 VAL . 17707 1 78 44 TYR . 17707 1 79 45 ILE . 17707 1 80 46 PRO . 17707 1 81 47 ARG . 17707 1 82 48 ASP . 17707 1 83 49 ARG . 17707 1 84 50 TYR . 17707 1 85 51 THR . 17707 1 86 52 LYS . 17707 1 87 53 GLU . 17707 1 88 54 SER . 17707 1 89 55 ARG . 17707 1 90 56 GLY . 17707 1 91 57 PHE . 17707 1 92 58 ALA . 17707 1 93 59 PHE . 17707 1 94 60 VAL . 17707 1 95 61 ARG . 17707 1 96 62 PHE . 17707 1 97 63 HIS . 17707 1 98 64 ASP . 17707 1 99 65 LYS . 17707 1 100 66 ARG . 17707 1 101 67 ASP . 17707 1 102 68 ALA . 17707 1 103 69 GLU . 17707 1 104 70 ASP . 17707 1 105 71 ALA . 17707 1 106 72 MET . 17707 1 107 73 ASP . 17707 1 108 74 ALA . 17707 1 109 75 MET . 17707 1 110 76 ASP . 17707 1 111 77 GLY . 17707 1 112 78 ALA . 17707 1 113 79 VAL . 17707 1 114 80 LEU . 17707 1 115 81 ASP . 17707 1 116 82 GLY . 17707 1 117 83 ARG . 17707 1 118 84 GLU . 17707 1 119 85 LEU . 17707 1 120 86 ARG . 17707 1 121 87 VAL . 17707 1 122 88 GLN . 17707 1 123 89 MET . 17707 1 124 90 ALA . 17707 1 125 91 ARG . 17707 1 126 92 TYR . 17707 1 127 93 GLY . 17707 1 128 94 ARG . 17707 1 129 95 PRO . 17707 1 130 96 PRO . 17707 1 131 97 ASP . 17707 1 132 98 SER . 17707 1 133 99 HIS . 17707 1 134 100 HIS . 17707 1 135 101 SER . 17707 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 . MET 1 1 17707 1 . GLY 2 2 17707 1 . SER 3 3 17707 1 . SER 4 4 17707 1 . HIS 5 5 17707 1 . HIS 6 6 17707 1 . HIS 7 7 17707 1 . HIS 8 8 17707 1 . HIS 9 9 17707 1 . HIS 10 10 17707 1 . SER 11 11 17707 1 . SER 12 12 17707 1 . GLY 13 13 17707 1 . LEU 14 14 17707 1 . VAL 15 15 17707 1 . PRO 16 16 17707 1 . ARG 17 17 17707 1 . GLY 18 18 17707 1 . SER 19 19 17707 1 . HIS 20 20 17707 1 . MET 21 21 17707 1 . ALA 22 22 17707 1 . SER 23 23 17707 1 . MET 24 24 17707 1 . THR 25 25 17707 1 . GLY 26 26 17707 1 . GLY 27 27 17707 1 . GLN 28 28 17707 1 . GLN 29 29 17707 1 . MET 30 30 17707 1 . GLY 31 31 17707 1 . ARG 32 32 17707 1 . GLY 33 33 17707 1 . SER 34 34 17707 1 . MET 35 35 17707 1 . SER 36 36 17707 1 . TYR 37 37 17707 1 . GLY 38 38 17707 1 . ARG 39 39 17707 1 . PRO 40 40 17707 1 . PRO 41 41 17707 1 . PRO 42 42 17707 1 . ASP 43 43 17707 1 . VAL 44 44 17707 1 . GLU 45 45 17707 1 . GLY 46 46 17707 1 . MET 47 47 17707 1 . THR 48 48 17707 1 . SER 49 49 17707 1 . LEU 50 50 17707 1 . LYS 51 51 17707 1 . VAL 52 52 17707 1 . ASP 53 53 17707 1 . ASN 54 54 17707 1 . LEU 55 55 17707 1 . THR 56 56 17707 1 . TYR 57 57 17707 1 . ARG 58 58 17707 1 . THR 59 59 17707 1 . SER 60 60 17707 1 . PRO 61 61 17707 1 . ASP 62 62 17707 1 . THR 63 63 17707 1 . LEU 64 64 17707 1 . ARG 65 65 17707 1 . ARG 66 66 17707 1 . VAL 67 67 17707 1 . PHE 68 68 17707 1 . GLU 69 69 17707 1 . LYS 70 70 17707 1 . TYR 71 71 17707 1 . GLY 72 72 17707 1 . ARG 73 73 17707 1 . VAL 74 74 17707 1 . GLY 75 75 17707 1 . ASP 76 76 17707 1 . VAL 77 77 17707 1 . TYR 78 78 17707 1 . ILE 79 79 17707 1 . PRO 80 80 17707 1 . ARG 81 81 17707 1 . ASP 82 82 17707 1 . ARG 83 83 17707 1 . TYR 84 84 17707 1 . THR 85 85 17707 1 . LYS 86 86 17707 1 . GLU 87 87 17707 1 . SER 88 88 17707 1 . ARG 89 89 17707 1 . GLY 90 90 17707 1 . PHE 91 91 17707 1 . ALA 92 92 17707 1 . PHE 93 93 17707 1 . VAL 94 94 17707 1 . ARG 95 95 17707 1 . PHE 96 96 17707 1 . HIS 97 97 17707 1 . ASP 98 98 17707 1 . LYS 99 99 17707 1 . ARG 100 100 17707 1 . ASP 101 101 17707 1 . ALA 102 102 17707 1 . GLU 103 103 17707 1 . ASP 104 104 17707 1 . ALA 105 105 17707 1 . MET 106 106 17707 1 . ASP 107 107 17707 1 . ALA 108 108 17707 1 . MET 109 109 17707 1 . ASP 110 110 17707 1 . GLY 111 111 17707 1 . ALA 112 112 17707 1 . VAL 113 113 17707 1 . LEU 114 114 17707 1 . ASP 115 115 17707 1 . GLY 116 116 17707 1 . ARG 117 117 17707 1 . GLU 118 118 17707 1 . LEU 119 119 17707 1 . ARG 120 120 17707 1 . VAL 121 121 17707 1 . GLN 122 122 17707 1 . MET 123 123 17707 1 . ALA 124 124 17707 1 . ARG 125 125 17707 1 . TYR 126 126 17707 1 . GLY 127 127 17707 1 . ARG 128 128 17707 1 . PRO 129 129 17707 1 . PRO 130 130 17707 1 . ASP 131 131 17707 1 . SER 132 132 17707 1 . HIS 133 133 17707 1 . HIS 134 134 17707 1 . SER 135 135 17707 1 stop_ save_ save_RNA_(5'-R(*UP*GP*GP*AP*GP*U)-3') _Entity.Sf_category entity _Entity.Sf_framecode RNA_(5'-R(*UP*GP*GP*AP*GP*U)-3') _Entity.Entry_ID 17707 _Entity.ID 2 _Entity.BMRB_code . _Entity.Name RNA_(5'-R(*UP*GP*GP*AP*GP*U)-3')_ _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polyribonucleotide _Entity.Polymer_type_details . _Entity.Polymer_strand_ID B _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code UGGAGU _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 6 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'not present' _Entity.Src_method syn _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 1932.211 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date . loop_ _Entity_comp_index.ID _Entity_comp_index.Auth_seq_ID _Entity_comp_index.Comp_ID _Entity_comp_index.Comp_label _Entity_comp_index.Entry_ID _Entity_comp_index.Entity_ID 1 . U . 17707 2 2 . G . 17707 2 3 . G . 17707 2 4 . A . 17707 2 5 . G . 17707 2 6 . U . 17707 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 . U 1 1 17707 2 . G 2 2 17707 2 . G 3 3 17707 2 . A 4 4 17707 2 . G 5 5 17707 2 . U 6 6 17707 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 17707 _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 $SRSF2_RRM . 9606 organism . 'Homo sapiens' Human . . Eukaryota Metazoa Homo sapiens . . . . . . . . . . . . . . . . 'SFRS2, SRSF2' . . . . 17707 1 2 2 $RNA_(5'-R(*UP*GP*GP*AP*GP*U)-3') . . 'no natural source' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 17707 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 17707 _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 $SRSF2_RRM . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli BL21(DE3) . . . . . . . . . . . . . . . pet28a . . . . . . 17707 1 2 2 $RNA_(5'-R(*UP*GP*GP*AP*GP*U)-3') . 'chemical synthesis' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 17707 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_SRSF2_RRM_+_UGGAGU_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode SRSF2_RRM_+_UGGAGU_sample_1 _Sample.Entry_ID 17707 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details '50mM L-Arg; 50mM L-Glu; 20mM NaH2PO4; ph 5.5' _Sample.Aggregate_sample_number . _Sample.Solvent_system '90% H2O/10% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 'SRSF2 RRM' [U-15N] . . 1 $SRSF2_RRM . . 0.75 . . mM 0.1 . . . 17707 1 2 UGGAGU1 [U-15N] . . 2 $RNA_(5'-R(*UP*GP*GP*AP*GP*U)-3') . . 0.75 . . mM 0.1 . . . 17707 1 3 'SRSF2 RRM' '[U-13C; U-15N]' . . 1 $SRSF2_RRM . . 0.75 . . mM 0.1 . . . 17707 1 4 UGGAGU2 '[U-13C; U-15N]' . . 2 $RNA_(5'-R(*UP*GP*GP*AP*GP*U)-3') . . 0.75 . . mM 0.1 . . . 17707 1 5 L-Arg 'natural abundance' . . . . . . 50 . . mM . . . . 17707 1 6 L-Glu 'natural abundance' . . . . . . 50 . . mM . . . . 17707 1 7 NaH2PO4 'natural abundance' . . . . . . 20 . . mM . . . . 17707 1 8 H2O 'natural abundance' . . . . . . 90 . . % . . . . 17707 1 9 D2O 'natural abundance' . . . . . . 10 . . % . . . . 17707 1 stop_ save_ save_SRSF2_RRM_+_UGGAGU_D2O _Sample.Sf_category sample _Sample.Sf_framecode SRSF2_RRM_+_UGGAGU_D2O _Sample.Entry_ID 17707 _Sample.ID 2 _Sample.Type solution _Sample.Sub_type . _Sample.Details '50mM L-Arg; 50mM L-Glu; 20mM NaH2PO4; ph 5.5' _Sample.Aggregate_sample_number . _Sample.Solvent_system '100% 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 'SRSF2 RRM' [U-15N] . . 1 $SRSF2_RRM . . 0.75 . . mM 0.1 . . . 17707 2 2 UGGAGU1 [U-15N] . . 2 $RNA_(5'-R(*UP*GP*GP*AP*GP*U)-3') . . 0.75 . . mM 0.1 . . . 17707 2 3 L-Arg 'natural abundance' . . . . . . 50 . . mM . . . . 17707 2 4 L-Glu 'natural abundance' . . . . . . 50 . . mM . . . . 17707 2 5 NaH2PO4 'natural abundance' . . . . . . 20 . . mM . . . . 17707 2 6 D2O 'natural abundance' . . . . . . 100 . . % . . . . 17707 2 stop_ save_ ####################### # Sample conditions # ####################### save_SRSF2_RRM_+_UGGAGU_sample_conditions _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode SRSF2_RRM_+_UGGAGU_sample_conditions _Sample_condition_list.Entry_ID 17707 _Sample_condition_list.ID 1 _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID 'ionic strength' 120 . mM 17707 1 pH 5.5 . pH 17707 1 pressure 1 . atm 17707 1 temperature 310.8 . K 17707 1 stop_ save_ ############################ # Computer software used # ############################ save_CYANA _Software.Sf_category software _Software.Sf_framecode CYANA _Software.Entry_ID 17707 _Software.ID 1 _Software.Name CYANA _Software.Version 3.0 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Guntert, Mumenthaler and Wuthrich' . . 17707 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'structure solution' 17707 1 stop_ save_ save_AMBER _Software.Sf_category software _Software.Sf_framecode AMBER _Software.Entry_ID 17707 _Software.ID 2 _Software.Name AMBER _Software.Version 9 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Case, Darden, Cheatham, III, Simmerling, Wang, Duke, Luo, ... and Kollm' . . 17707 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID refinement 17707 2 stop_ save_ save_SPARKY _Software.Sf_category software _Software.Sf_framecode SPARKY _Software.Entry_ID 17707 _Software.ID 3 _Software.Name SPARKY _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID Goddard . . 17707 3 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' 17707 3 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 17707 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details cryoprobe _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 500 save_ save_spectrometer_2 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_2 _NMR_spectrometer.Entry_ID 17707 _NMR_spectrometer.ID 2 _NMR_spectrometer.Details cryoprobe _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ save_spectrometer_3 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_3 _NMR_spectrometer.Entry_ID 17707 _NMR_spectrometer.ID 3 _NMR_spectrometer.Details cryoprobe _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 700 save_ save_spectrometer_4 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_4 _NMR_spectrometer.Entry_ID 17707 _NMR_spectrometer.ID 4 _NMR_spectrometer.Details cryoprobe _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 900 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 17707 _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 . 500 cryoprobe . . 17707 1 2 spectrometer_2 Bruker Avance . 600 cryoprobe . . 17707 1 3 spectrometer_3 Bruker Avance . 700 cryoprobe . . 17707 1 4 spectrometer_4 Bruker Avance . 900 cryoprobe . . 17707 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 17707 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NMR_spec_expt_ID _Experiment.NMR_spec_expt_label _Experiment.MS_expt_ID _Experiment.MS_expt_label _Experiment.SAXS_expt_ID _Experiment.SAXS_expt_label _Experiment.FRET_expt_ID _Experiment.FRET_expt_label _Experiment.EMR_expt_ID _Experiment.EMR_expt_label _Experiment.Sample_ID _Experiment.Sample_label _Experiment.Sample_state _Experiment.Sample_volume _Experiment.Sample_volume_units _Experiment.Sample_condition_list_ID _Experiment.Sample_condition_list_label _Experiment.Sample_spinning_rate _Experiment.Sample_angle _Experiment.NMR_tube_type _Experiment.NMR_spectrometer_ID _Experiment.NMR_spectrometer_label _Experiment.NMR_spectrometer_probe_ID _Experiment.NMR_spectrometer_probe_label _Experiment.NMR_spectral_processing_ID _Experiment.NMR_spectral_processing_label _Experiment.Mass_spectrometer_ID _Experiment.Mass_spectrometer_label _Experiment.Xray_instrument_ID _Experiment.Xray_instrument_label _Experiment.Fluorescence_instrument_ID _Experiment.Fluorescence_instrument_label _Experiment.EMR_instrument_ID _Experiment.EMR_instrument_label _Experiment.Chromatographic_system_ID _Experiment.Chromatographic_system_label _Experiment.Chromatographic_column_ID _Experiment.Chromatographic_column_label _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 '2D 1H-15N HSQC' no . . . . . . . . . . 1 $SRSF2_RRM_+_UGGAGU_sample_1 isotropic . . 1 $SRSF2_RRM_+_UGGAGU_sample_conditions . . . . . . . . . . . . . . . . . . . . . 17707 1 2 '2D 1H-13C HSQC' no . . . . . . . . . . 1 $SRSF2_RRM_+_UGGAGU_sample_1 isotropic . . 1 $SRSF2_RRM_+_UGGAGU_sample_conditions . . . . . . . . . . . . . . . . . . . . . 17707 1 3 '3D HCACO' no . . . . . . . . . . 1 $SRSF2_RRM_+_UGGAGU_sample_1 isotropic . . 1 $SRSF2_RRM_+_UGGAGU_sample_conditions . . . . . . . . . . . . . . . . . . . . . 17707 1 4 '3D HNCO' no . . . . . . . . . . 1 $SRSF2_RRM_+_UGGAGU_sample_1 isotropic . . 1 $SRSF2_RRM_+_UGGAGU_sample_conditions . . . . . . . . . . . . . . . . . . . . . 17707 1 5 '3D HNCA' no . . . . . . . . . . 1 $SRSF2_RRM_+_UGGAGU_sample_1 isotropic . . 1 $SRSF2_RRM_+_UGGAGU_sample_conditions . . . . . . . . . . . . . . . . . . . . . 17707 1 6 '3D HN(CO)CA' no . . . . . . . . . . 1 $SRSF2_RRM_+_UGGAGU_sample_1 isotropic . . 1 $SRSF2_RRM_+_UGGAGU_sample_conditions . . . . . . . . . . . . . . . . . . . . . 17707 1 7 '3D CBCA(CO)NH' no . . . . . . . . . . 1 $SRSF2_RRM_+_UGGAGU_sample_1 isotropic . . 1 $SRSF2_RRM_+_UGGAGU_sample_conditions . . . . . . . . . . . . . . . . . . . . . 17707 1 8 '3D HNCACB' no . . . . . . . . . . 1 $SRSF2_RRM_+_UGGAGU_sample_1 isotropic . . 1 $SRSF2_RRM_+_UGGAGU_sample_conditions . . . . . . . . . . . . . . . . . . . . . 17707 1 9 '3D H(CCO)NH' no . . . . . . . . . . 1 $SRSF2_RRM_+_UGGAGU_sample_1 isotropic . . 1 $SRSF2_RRM_+_UGGAGU_sample_conditions . . . . . . . . . . . . . . . . . . . . . 17707 1 10 '3D HCCH-TOCSY' no . . . . . . . . . . 1 $SRSF2_RRM_+_UGGAGU_sample_1 isotropic . . 1 $SRSF2_RRM_+_UGGAGU_sample_conditions . . . . . . . . . . . . . . . . . . . . . 17707 1 11 '3D 1H-13C NOESY' no . . . . . . . . . . 1 $SRSF2_RRM_+_UGGAGU_sample_1 isotropic . . 1 $SRSF2_RRM_+_UGGAGU_sample_conditions . . . 4 $spectrometer_4 . . . . . . . . . . . . . . . . 17707 1 12 '3D 1H-13C NOESY' no . . . . . . . . . . 1 $SRSF2_RRM_+_UGGAGU_sample_1 isotropic . . 1 $SRSF2_RRM_+_UGGAGU_sample_conditions . . . 3 $spectrometer_3 . . . . . . . . . . . . . . . . 17707 1 13 '3D 1H-15N NOESY' no . . . . . . . . . . 1 $SRSF2_RRM_+_UGGAGU_sample_1 isotropic . . 1 $SRSF2_RRM_+_UGGAGU_sample_conditions . . . 3 $spectrometer_3 . . . . . . . . . . . . . . . . 17707 1 14 '2D 1H-1H NOESY' no . . . . . . . . . . 2 $SRSF2_RRM_+_UGGAGU_D2O isotropic . . 1 $SRSF2_RRM_+_UGGAGU_sample_conditions . . . 3 $spectrometer_3 . . . . . . . . . . . . . . . . 17707 1 15 '2D 1H-1H TOCSY' no . . . . . . . . . . 2 $SRSF2_RRM_+_UGGAGU_D2O isotropic . . 1 $SRSF2_RRM_+_UGGAGU_sample_conditions . . . . . . . . . . . . . . . . . . . . . 17707 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 17707 _Chem_shift_reference.ID 1 _Chem_shift_reference.Details . loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Indirect_shift_ratio_cit_ID _Chem_shift_ref.Indirect_shift_ratio_cit_label _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Correction_val_cit_ID _Chem_shift_ref.Correction_val_cit_label _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C 13 DSS 'methyl protons' . . . . ppm 0.00 . indirect 0.251449530 . . . . . . . . . 17707 1 H 1 DSS 'methyl protons' . . . . ppm 0.00 internal direct 1.000000000 . . . . . . . . . 17707 1 N 15 DSS 'methyl protons' . . . . ppm 0.00 . indirect 0.101329118 . . . . . . . . . 17707 1 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_assigned_chem_shift_list_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chem_shift_list_1 _Assigned_chem_shift_list.Entry_ID 17707 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $SRSF2_RRM_+_UGGAGU_sample_conditions _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 11 '3D 1H-13C NOESY' . . . 17707 1 13 '3D 1H-15N NOESY' . . . 17707 1 14 '2D 1H-1H NOESY' . . . 17707 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 36 36 SER H H 1 8.112 0.017 . 1 . . . A 2 SER H . 17707 1 2 . 1 1 36 36 SER HA H 1 4.398 0.003 . 1 . . . A 2 SER HA . 17707 1 3 . 1 1 36 36 SER HB2 H 1 3.744 0.001 . 2 . . . A 2 SER HB2 . 17707 1 4 . 1 1 36 36 SER HB3 H 1 3.744 0.001 . 2 . . . A 2 SER HB3 . 17707 1 5 . 1 1 36 36 SER CA C 13 55.706 0.000 . 1 . . . A 2 SER CA . 17707 1 6 . 1 1 36 36 SER CB C 13 61.260 0.007 . 1 . . . A 2 SER CB . 17707 1 7 . 1 1 36 36 SER N N 15 116.365 0.000 . 1 . . . A 2 SER N . 17707 1 8 . 1 1 37 37 TYR H H 1 8.155 0.000 . 1 . . . A 3 TYR H . 17707 1 9 . 1 1 37 37 TYR HA H 1 4.634 0.000 . 1 . . . A 3 TYR HA . 17707 1 10 . 1 1 37 37 TYR HB2 H 1 2.919 0.004 . 2 . . . A 3 TYR HB2 . 17707 1 11 . 1 1 37 37 TYR HB3 H 1 3.135 0.004 . 2 . . . A 3 TYR HB3 . 17707 1 12 . 1 1 37 37 TYR HD1 H 1 7.073 0.006 . 3 . . . A 3 TYR HD1 . 17707 1 13 . 1 1 37 37 TYR HD2 H 1 7.073 0.006 . 3 . . . A 3 TYR HD2 . 17707 1 14 . 1 1 37 37 TYR HE1 H 1 6.726 0.003 . 3 . . . A 3 TYR HE1 . 17707 1 15 . 1 1 37 37 TYR HE2 H 1 6.726 0.003 . 3 . . . A 3 TYR HE2 . 17707 1 16 . 1 1 37 37 TYR CB C 13 36.183 0.005 . 1 . . . A 3 TYR CB . 17707 1 17 . 1 1 37 37 TYR CD1 C 13 133.043 0.011 . 3 . . . A 3 TYR CD1 . 17707 1 18 . 1 1 37 37 TYR CE1 C 13 118.182 0.002 . 3 . . . A 3 TYR CE1 . 17707 1 19 . 1 1 37 37 TYR N N 15 121.885 0.002 . 1 . . . A 3 TYR N . 17707 1 20 . 1 1 38 38 GLY H H 1 8.332 0.000 . 1 . . . A 4 GLY H . 17707 1 21 . 1 1 38 38 GLY HA2 H 1 3.976 0.000 . 2 . . . A 4 GLY HA2 . 17707 1 22 . 1 1 38 38 GLY HA3 H 1 3.976 0.000 . 2 . . . A 4 GLY HA3 . 17707 1 23 . 1 1 38 38 GLY N N 15 109.771 0.003 . 1 . . . A 4 GLY N . 17707 1 24 . 1 1 39 39 ARG H H 1 8.224 0.000 . 1 . . . A 5 ARG H . 17707 1 25 . 1 1 39 39 ARG HA H 1 4.541 0.003 . 1 . . . A 5 ARG HA . 17707 1 26 . 1 1 39 39 ARG HG2 H 1 1.636 0.000 . 2 . . . A 5 ARG HG2 . 17707 1 27 . 1 1 39 39 ARG HG3 H 1 1.636 0.000 . 2 . . . A 5 ARG HG3 . 17707 1 28 . 1 1 39 39 ARG HD2 H 1 3.149 0.000 . 2 . . . A 5 ARG HD2 . 17707 1 29 . 1 1 39 39 ARG HD3 H 1 3.149 0.000 . 2 . . . A 5 ARG HD3 . 17707 1 30 . 1 1 39 39 ARG CA C 13 51.195 0.007 . 1 . . . A 5 ARG CA . 17707 1 31 . 1 1 39 39 ARG N N 15 121.087 0.015 . 1 . . . A 5 ARG N . 17707 1 32 . 1 1 40 40 PRO HA H 1 4.239 0.008 . 1 . . . A 6 PRO HA . 17707 1 33 . 1 1 40 40 PRO HG2 H 1 1.659 0.009 . 2 . . . A 6 PRO HG2 . 17707 1 34 . 1 1 40 40 PRO HG3 H 1 1.659 0.009 . 2 . . . A 6 PRO HG3 . 17707 1 35 . 1 1 40 40 PRO HD2 H 1 3.520 0.001 . 2 . . . A 6 PRO HD2 . 17707 1 36 . 1 1 40 40 PRO HD3 H 1 3.520 0.001 . 2 . . . A 6 PRO HD3 . 17707 1 37 . 1 1 40 40 PRO CA C 13 58.394 0.000 . 1 . . . A 6 PRO CA . 17707 1 38 . 1 1 40 40 PRO CD C 13 47.572 0.002 . 1 . . . A 6 PRO CD . 17707 1 39 . 1 1 41 41 PRO HA H 1 4.384 0.002 . 1 . . . A 7 PRO HA . 17707 1 40 . 1 1 41 41 PRO HB2 H 1 2.013 0.001 . 2 . . . A 7 PRO HB2 . 17707 1 41 . 1 1 41 41 PRO HB3 H 1 2.013 0.001 . 2 . . . A 7 PRO HB3 . 17707 1 42 . 1 1 41 41 PRO HG2 H 1 1.727 0.000 . 2 . . . A 7 PRO HG2 . 17707 1 43 . 1 1 41 41 PRO HG3 H 1 1.727 0.000 . 2 . . . A 7 PRO HG3 . 17707 1 44 . 1 1 41 41 PRO HD2 H 1 2.986 0.003 . 2 . . . A 7 PRO HD2 . 17707 1 45 . 1 1 41 41 PRO HD3 H 1 3.473 0.003 . 2 . . . A 7 PRO HD3 . 17707 1 46 . 1 1 41 41 PRO CA C 13 58.572 0.022 . 1 . . . A 7 PRO CA . 17707 1 47 . 1 1 41 41 PRO CD C 13 47.079 0.008 . 1 . . . A 7 PRO CD . 17707 1 48 . 1 1 42 42 PRO HA H 1 4.273 0.002 . 1 . . . A 8 PRO HA . 17707 1 49 . 1 1 42 42 PRO HB2 H 1 2.178 0.003 . 2 . . . A 8 PRO HB2 . 17707 1 50 . 1 1 42 42 PRO HB3 H 1 2.178 0.003 . 2 . . . A 8 PRO HB3 . 17707 1 51 . 1 1 42 42 PRO HG2 H 1 1.697 0.012 . 2 . . . A 8 PRO HG2 . 17707 1 52 . 1 1 42 42 PRO HG3 H 1 1.697 0.012 . 2 . . . A 8 PRO HG3 . 17707 1 53 . 1 1 42 42 PRO HD2 H 1 3.302 0.002 . 2 . . . A 8 PRO HD2 . 17707 1 54 . 1 1 42 42 PRO HD3 H 1 3.588 0.001 . 2 . . . A 8 PRO HD3 . 17707 1 55 . 1 1 42 42 PRO CA C 13 60.131 0.016 . 1 . . . A 8 PRO CA . 17707 1 56 . 1 1 42 42 PRO CB C 13 29.097 0.000 . 1 . . . A 8 PRO CB . 17707 1 57 . 1 1 42 42 PRO CD C 13 47.371 0.004 . 1 . . . A 8 PRO CD . 17707 1 58 . 1 1 43 43 ASP H H 1 8.425 0.004 . 1 . . . A 9 ASP H . 17707 1 59 . 1 1 43 43 ASP HA H 1 4.512 0.002 . 1 . . . A 9 ASP HA . 17707 1 60 . 1 1 43 43 ASP HB2 H 1 2.634 0.001 . 2 . . . A 9 ASP HB2 . 17707 1 61 . 1 1 43 43 ASP HB3 H 1 2.720 0.001 . 2 . . . A 9 ASP HB3 . 17707 1 62 . 1 1 43 43 ASP CA C 13 51.541 0.005 . 1 . . . A 9 ASP CA . 17707 1 63 . 1 1 43 43 ASP CB C 13 37.499 0.018 . 1 . . . A 9 ASP CB . 17707 1 64 . 1 1 43 43 ASP N N 15 119.118 0.007 . 1 . . . A 9 ASP N . 17707 1 65 . 1 1 44 44 VAL H H 1 7.882 0.000 . 1 . . . A 10 VAL H . 17707 1 66 . 1 1 44 44 VAL HA H 1 4.206 0.006 . 1 . . . A 10 VAL HA . 17707 1 67 . 1 1 44 44 VAL HB H 1 2.210 0.006 . 1 . . . A 10 VAL HB . 17707 1 68 . 1 1 44 44 VAL HG11 H 1 0.706 0.004 . 2 . . . A 10 VAL HG11 . 17707 1 69 . 1 1 44 44 VAL HG12 H 1 0.706 0.004 . 2 . . . A 10 VAL HG12 . 17707 1 70 . 1 1 44 44 VAL HG13 H 1 0.706 0.004 . 2 . . . A 10 VAL HG13 . 17707 1 71 . 1 1 44 44 VAL HG21 H 1 0.708 0.002 . 2 . . . A 10 VAL HG21 . 17707 1 72 . 1 1 44 44 VAL HG22 H 1 0.708 0.002 . 2 . . . A 10 VAL HG22 . 17707 1 73 . 1 1 44 44 VAL HG23 H 1 0.708 0.002 . 2 . . . A 10 VAL HG23 . 17707 1 74 . 1 1 44 44 VAL CA C 13 59.163 0.000 . 1 . . . A 10 VAL CA . 17707 1 75 . 1 1 44 44 VAL CB C 13 28.998 0.000 . 1 . . . A 10 VAL CB . 17707 1 76 . 1 1 44 44 VAL CG1 C 13 16.307 0.012 . 2 . . . A 10 VAL CG1 . 17707 1 77 . 1 1 44 44 VAL CG2 C 13 17.748 0.003 . 2 . . . A 10 VAL CG2 . 17707 1 78 . 1 1 44 44 VAL N N 15 118.278 0.000 . 1 . . . A 10 VAL N . 17707 1 79 . 1 1 45 45 GLU H H 1 8.328 0.005 . 1 . . . A 11 GLU H . 17707 1 80 . 1 1 45 45 GLU HA H 1 4.048 0.002 . 1 . . . A 11 GLU HA . 17707 1 81 . 1 1 45 45 GLU HB2 H 1 2.007 0.004 . 2 . . . A 11 GLU HB2 . 17707 1 82 . 1 1 45 45 GLU HB3 H 1 2.007 0.004 . 2 . . . A 11 GLU HB3 . 17707 1 83 . 1 1 45 45 GLU HG2 H 1 2.282 0.002 . 2 . . . A 11 GLU HG2 . 17707 1 84 . 1 1 45 45 GLU HG3 H 1 2.282 0.002 . 2 . . . A 11 GLU HG3 . 17707 1 85 . 1 1 45 45 GLU CA C 13 55.847 0.001 . 1 . . . A 11 GLU CA . 17707 1 86 . 1 1 45 45 GLU CB C 13 26.447 0.006 . 1 . . . A 11 GLU CB . 17707 1 87 . 1 1 45 45 GLU CG C 13 33.501 0.003 . 1 . . . A 11 GLU CG . 17707 1 88 . 1 1 45 45 GLU N N 15 123.222 0.002 . 1 . . . A 11 GLU N . 17707 1 89 . 1 1 46 46 GLY H H 1 8.361 0.005 . 1 . . . A 12 GLY H . 17707 1 90 . 1 1 46 46 GLY HA2 H 1 4.032 0.006 . 2 . . . A 12 GLY HA2 . 17707 1 91 . 1 1 46 46 GLY HA3 H 1 4.032 0.006 . 2 . . . A 12 GLY HA3 . 17707 1 92 . 1 1 46 46 GLY CA C 13 42.699 0.000 . 1 . . . A 12 GLY CA . 17707 1 93 . 1 1 46 46 GLY N N 15 108.993 0.008 . 1 . . . A 12 GLY N . 17707 1 94 . 1 1 47 47 MET H H 1 7.493 0.006 . 1 . . . A 13 MET H . 17707 1 95 . 1 1 47 47 MET HA H 1 4.584 0.000 . 1 . . . A 13 MET HA . 17707 1 96 . 1 1 47 47 MET HB2 H 1 2.128 0.008 . 2 . . . A 13 MET HB2 . 17707 1 97 . 1 1 47 47 MET HB3 H 1 2.422 0.002 . 2 . . . A 13 MET HB3 . 17707 1 98 . 1 1 47 47 MET HE1 H 1 1.834 0.002 . 2 . . . A 13 MET HE1 . 17707 1 99 . 1 1 47 47 MET HE2 H 1 1.834 0.002 . 2 . . . A 13 MET HE2 . 17707 1 100 . 1 1 47 47 MET HE3 H 1 1.834 0.002 . 2 . . . A 13 MET HE3 . 17707 1 101 . 1 1 47 47 MET CB C 13 31.447 0.018 . 1 . . . A 13 MET CB . 17707 1 102 . 1 1 47 47 MET CE C 13 15.957 0.008 . 1 . . . A 13 MET CE . 17707 1 103 . 1 1 47 47 MET N N 15 118.074 0.009 . 1 . . . A 13 MET N . 17707 1 104 . 1 1 48 48 THR H H 1 8.993 0.000 . 1 . . . A 14 THR H . 17707 1 105 . 1 1 48 48 THR HA H 1 4.534 0.003 . 1 . . . A 14 THR HA . 17707 1 106 . 1 1 48 48 THR HB H 1 3.786 0.014 . 1 . . . A 14 THR HB . 17707 1 107 . 1 1 48 48 THR HG21 H 1 1.177 0.004 . 2 . . . A 14 THR HG21 . 17707 1 108 . 1 1 48 48 THR HG22 H 1 1.177 0.004 . 2 . . . A 14 THR HG22 . 17707 1 109 . 1 1 48 48 THR HG23 H 1 1.177 0.004 . 2 . . . A 14 THR HG23 . 17707 1 110 . 1 1 48 48 THR CA C 13 60.656 0.007 . 1 . . . A 14 THR CA . 17707 1 111 . 1 1 48 48 THR CB C 13 67.544 0.010 . 1 . . . A 14 THR CB . 17707 1 112 . 1 1 48 48 THR CG2 C 13 19.413 0.004 . 1 . . . A 14 THR CG2 . 17707 1 113 . 1 1 48 48 THR N N 15 118.968 0.005 . 1 . . . A 14 THR N . 17707 1 114 . 1 1 49 49 SER H H 1 9.097 0.010 . 1 . . . A 15 SER H . 17707 1 115 . 1 1 49 49 SER HA H 1 5.017 0.000 . 1 . . . A 15 SER HA . 17707 1 116 . 1 1 49 49 SER HB2 H 1 3.517 0.009 . 2 . . . A 15 SER HB2 . 17707 1 117 . 1 1 49 49 SER HB3 H 1 4.077 0.008 . 2 . . . A 15 SER HB3 . 17707 1 118 . 1 1 49 49 SER CB C 13 61.787 0.000 . 1 . . . A 15 SER CB . 17707 1 119 . 1 1 49 49 SER N N 15 123.365 0.002 . 1 . . . A 15 SER N . 17707 1 120 . 1 1 50 50 LEU H H 1 9.495 0.002 . 1 . . . A 16 LEU H . 17707 1 121 . 1 1 50 50 LEU HA H 1 5.008 0.005 . 1 . . . A 16 LEU HA . 17707 1 122 . 1 1 50 50 LEU HB2 H 1 1.785 0.016 . 2 . . . A 16 LEU HB2 . 17707 1 123 . 1 1 50 50 LEU HB3 H 1 1.785 0.016 . 2 . . . A 16 LEU HB3 . 17707 1 124 . 1 1 50 50 LEU HD11 H 1 0.831 0.003 . 2 . . . A 16 LEU HD11 . 17707 1 125 . 1 1 50 50 LEU HD12 H 1 0.831 0.003 . 2 . . . A 16 LEU HD12 . 17707 1 126 . 1 1 50 50 LEU HD13 H 1 0.831 0.003 . 2 . . . A 16 LEU HD13 . 17707 1 127 . 1 1 50 50 LEU HD21 H 1 0.895 0.002 . 2 . . . A 16 LEU HD21 . 17707 1 128 . 1 1 50 50 LEU HD22 H 1 0.895 0.002 . 2 . . . A 16 LEU HD22 . 17707 1 129 . 1 1 50 50 LEU HD23 H 1 0.895 0.002 . 2 . . . A 16 LEU HD23 . 17707 1 130 . 1 1 50 50 LEU CA C 13 50.359 0.000 . 1 . . . A 16 LEU CA . 17707 1 131 . 1 1 50 50 LEU CB C 13 41.102 0.000 . 1 . . . A 16 LEU CB . 17707 1 132 . 1 1 50 50 LEU CD1 C 13 20.444 0.003 . 2 . . . A 16 LEU CD1 . 17707 1 133 . 1 1 50 50 LEU CD2 C 13 23.960 0.026 . 2 . . . A 16 LEU CD2 . 17707 1 134 . 1 1 50 50 LEU N N 15 124.488 0.002 . 1 . . . A 16 LEU N . 17707 1 135 . 1 1 51 51 LYS H H 1 9.239 0.008 . 1 . . . A 17 LYS H . 17707 1 136 . 1 1 51 51 LYS HA H 1 4.881 0.006 . 1 . . . A 17 LYS HA . 17707 1 137 . 1 1 51 51 LYS HB2 H 1 1.438 0.015 . 2 . . . A 17 LYS HB2 . 17707 1 138 . 1 1 51 51 LYS HB3 H 1 1.438 0.015 . 2 . . . A 17 LYS HB3 . 17707 1 139 . 1 1 51 51 LYS CA C 13 52.425 0.000 . 1 . . . A 17 LYS CA . 17707 1 140 . 1 1 51 51 LYS CB C 13 32.331 0.000 . 1 . . . A 17 LYS CB . 17707 1 141 . 1 1 51 51 LYS N N 15 123.276 0.010 . 1 . . . A 17 LYS N . 17707 1 142 . 1 1 52 52 VAL H H 1 9.136 0.003 . 1 . . . A 18 VAL H . 17707 1 143 . 1 1 52 52 VAL HA H 1 4.774 0.003 . 1 . . . A 18 VAL HA . 17707 1 144 . 1 1 52 52 VAL HB H 1 1.800 0.004 . 1 . . . A 18 VAL HB . 17707 1 145 . 1 1 52 52 VAL HG11 H 1 0.696 0.004 . 2 . . . A 18 VAL HG11 . 17707 1 146 . 1 1 52 52 VAL HG12 H 1 0.696 0.004 . 2 . . . A 18 VAL HG12 . 17707 1 147 . 1 1 52 52 VAL HG13 H 1 0.696 0.004 . 2 . . . A 18 VAL HG13 . 17707 1 148 . 1 1 52 52 VAL HG21 H 1 0.972 0.008 . 2 . . . A 18 VAL HG21 . 17707 1 149 . 1 1 52 52 VAL HG22 H 1 0.972 0.008 . 2 . . . A 18 VAL HG22 . 17707 1 150 . 1 1 52 52 VAL HG23 H 1 0.972 0.008 . 2 . . . A 18 VAL HG23 . 17707 1 151 . 1 1 52 52 VAL CA C 13 58.226 0.012 . 1 . . . A 18 VAL CA . 17707 1 152 . 1 1 52 52 VAL CB C 13 30.922 0.022 . 1 . . . A 18 VAL CB . 17707 1 153 . 1 1 52 52 VAL CG1 C 13 18.691 0.005 . 2 . . . A 18 VAL CG1 . 17707 1 154 . 1 1 52 52 VAL CG2 C 13 19.976 0.006 . 2 . . . A 18 VAL CG2 . 17707 1 155 . 1 1 52 52 VAL N N 15 130.086 0.005 . 1 . . . A 18 VAL N . 17707 1 156 . 1 1 53 53 ASP H H 1 9.312 0.004 . 1 . . . A 19 ASP H . 17707 1 157 . 1 1 53 53 ASP HA H 1 5.178 0.008 . 1 . . . A 19 ASP HA . 17707 1 158 . 1 1 53 53 ASP HB2 H 1 2.461 0.007 . 2 . . . A 19 ASP HB2 . 17707 1 159 . 1 1 53 53 ASP HB3 H 1 2.706 0.004 . 2 . . . A 19 ASP HB3 . 17707 1 160 . 1 1 53 53 ASP CA C 13 50.614 0.001 . 1 . . . A 19 ASP CA . 17707 1 161 . 1 1 53 53 ASP CB C 13 42.547 0.005 . 1 . . . A 19 ASP CB . 17707 1 162 . 1 1 53 53 ASP N N 15 125.621 0.016 . 1 . . . A 19 ASP N . 17707 1 163 . 1 1 54 54 ASN H H 1 8.438 0.004 . 1 . . . A 20 ASN H . 17707 1 164 . 1 1 54 54 ASN HA H 1 4.477 0.002 . 1 . . . A 20 ASN HA . 17707 1 165 . 1 1 54 54 ASN HB2 H 1 2.811 0.007 . 2 . . . A 20 ASN HB2 . 17707 1 166 . 1 1 54 54 ASN HB3 H 1 3.518 0.002 . 2 . . . A 20 ASN HB3 . 17707 1 167 . 1 1 54 54 ASN HD21 H 1 8.111 0.005 . 2 . . . A 20 ASN HD21 . 17707 1 168 . 1 1 54 54 ASN HD22 H 1 6.758 0.001 . 2 . . . A 20 ASN HD22 . 17707 1 169 . 1 1 54 54 ASN CA C 13 51.016 0.055 . 1 . . . A 20 ASN CA . 17707 1 170 . 1 1 54 54 ASN CB C 13 34.619 0.028 . 1 . . . A 20 ASN CB . 17707 1 171 . 1 1 54 54 ASN N N 15 112.496 0.009 . 1 . . . A 20 ASN N . 17707 1 172 . 1 1 54 54 ASN ND2 N 15 111.727 0.008 . 1 . . . A 20 ASN ND2 . 17707 1 173 . 1 1 55 55 LEU H H 1 7.477 0.003 . 1 . . . A 21 LEU H . 17707 1 174 . 1 1 55 55 LEU HA H 1 4.363 0.003 . 1 . . . A 21 LEU HA . 17707 1 175 . 1 1 55 55 LEU HB2 H 1 1.135 0.005 . 2 . . . A 21 LEU HB2 . 17707 1 176 . 1 1 55 55 LEU HB3 H 1 1.306 0.004 . 2 . . . A 21 LEU HB3 . 17707 1 177 . 1 1 55 55 LEU HG H 1 1.422 0.000 . 1 . . . A 21 LEU HG . 17707 1 178 . 1 1 55 55 LEU HD11 H 1 0.521 0.005 . 2 . . . A 21 LEU HD11 . 17707 1 179 . 1 1 55 55 LEU HD12 H 1 0.521 0.005 . 2 . . . A 21 LEU HD12 . 17707 1 180 . 1 1 55 55 LEU HD13 H 1 0.521 0.005 . 2 . . . A 21 LEU HD13 . 17707 1 181 . 1 1 55 55 LEU HD21 H 1 0.720 0.003 . 2 . . . A 21 LEU HD21 . 17707 1 182 . 1 1 55 55 LEU HD22 H 1 0.720 0.003 . 2 . . . A 21 LEU HD22 . 17707 1 183 . 1 1 55 55 LEU HD23 H 1 0.720 0.003 . 2 . . . A 21 LEU HD23 . 17707 1 184 . 1 1 55 55 LEU CA C 13 51.007 0.004 . 1 . . . A 21 LEU CA . 17707 1 185 . 1 1 55 55 LEU CB C 13 41.016 0.023 . 1 . . . A 21 LEU CB . 17707 1 186 . 1 1 55 55 LEU CD1 C 13 24.469 0.004 . 2 . . . A 21 LEU CD1 . 17707 1 187 . 1 1 55 55 LEU CD2 C 13 21.794 0.000 . 2 . . . A 21 LEU CD2 . 17707 1 188 . 1 1 55 55 LEU N N 15 114.844 0.009 . 1 . . . A 21 LEU N . 17707 1 189 . 1 1 56 56 THR H H 1 8.341 0.005 . 1 . . . A 22 THR H . 17707 1 190 . 1 1 56 56 THR HA H 1 4.361 0.003 . 1 . . . A 22 THR HA . 17707 1 191 . 1 1 56 56 THR HB H 1 4.425 0.000 . 1 . . . A 22 THR HB . 17707 1 192 . 1 1 56 56 THR HG21 H 1 1.372 0.008 . 2 . . . A 22 THR HG21 . 17707 1 193 . 1 1 56 56 THR HG22 H 1 1.372 0.008 . 2 . . . A 22 THR HG22 . 17707 1 194 . 1 1 56 56 THR HG23 H 1 1.372 0.008 . 2 . . . A 22 THR HG23 . 17707 1 195 . 1 1 56 56 THR CA C 13 58.212 0.004 . 1 . . . A 22 THR CA . 17707 1 196 . 1 1 56 56 THR CB C 13 68.233 0.015 . 1 . . . A 22 THR CB . 17707 1 197 . 1 1 56 56 THR CG2 C 13 20.224 0.008 . 1 . . . A 22 THR CG2 . 17707 1 198 . 1 1 56 56 THR N N 15 111.571 0.000 . 1 . . . A 22 THR N . 17707 1 199 . 1 1 57 57 TYR H H 1 8.587 0.009 . 1 . . . A 23 TYR H . 17707 1 200 . 1 1 57 57 TYR HA H 1 4.310 0.023 . 1 . . . A 23 TYR HA . 17707 1 201 . 1 1 57 57 TYR HB2 H 1 3.058 0.005 . 2 . . . A 23 TYR HB2 . 17707 1 202 . 1 1 57 57 TYR HB3 H 1 3.199 0.005 . 2 . . . A 23 TYR HB3 . 17707 1 203 . 1 1 57 57 TYR HD1 H 1 7.065 0.005 . 3 . . . A 23 TYR HD1 . 17707 1 204 . 1 1 57 57 TYR HD2 H 1 7.065 0.005 . 3 . . . A 23 TYR HD2 . 17707 1 205 . 1 1 57 57 TYR HE1 H 1 6.753 0.003 . 3 . . . A 23 TYR HE1 . 17707 1 206 . 1 1 57 57 TYR HE2 H 1 6.753 0.003 . 3 . . . A 23 TYR HE2 . 17707 1 207 . 1 1 57 57 TYR CA C 13 56.576 0.015 . 1 . . . A 23 TYR CA . 17707 1 208 . 1 1 57 57 TYR CB C 13 34.185 0.013 . 1 . . . A 23 TYR CB . 17707 1 209 . 1 1 57 57 TYR CD2 C 13 132.648 0.000 . 3 . . . A 23 TYR CD2 . 17707 1 210 . 1 1 57 57 TYR CE2 C 13 118.508 0.000 . 3 . . . A 23 TYR CE2 . 17707 1 211 . 1 1 57 57 TYR N N 15 122.008 0.004 . 1 . . . A 23 TYR N . 17707 1 212 . 1 1 58 58 ARG H H 1 7.262 0.008 . 1 . . . A 24 ARG H . 17707 1 213 . 1 1 58 58 ARG HA H 1 4.263 0.002 . 1 . . . A 24 ARG HA . 17707 1 214 . 1 1 58 58 ARG HB2 H 1 1.624 0.004 . 2 . . . A 24 ARG HB2 . 17707 1 215 . 1 1 58 58 ARG HB3 H 1 1.766 0.003 . 2 . . . A 24 ARG HB3 . 17707 1 216 . 1 1 58 58 ARG HG2 H 1 1.205 0.005 . 2 . . . A 24 ARG HG2 . 17707 1 217 . 1 1 58 58 ARG HG3 H 1 1.386 0.002 . 2 . . . A 24 ARG HG3 . 17707 1 218 . 1 1 58 58 ARG HD2 H 1 3.059 0.007 . 2 . . . A 24 ARG HD2 . 17707 1 219 . 1 1 58 58 ARG HD3 H 1 3.059 0.007 . 2 . . . A 24 ARG HD3 . 17707 1 220 . 1 1 58 58 ARG HE H 1 7.982 0.000 . 1 . . . A 24 ARG HE . 17707 1 221 . 1 1 58 58 ARG CA C 13 53.096 0.017 . 1 . . . A 24 ARG CA . 17707 1 222 . 1 1 58 58 ARG CB C 13 27.404 0.021 . 1 . . . A 24 ARG CB . 17707 1 223 . 1 1 58 58 ARG CG C 13 23.247 0.020 . 1 . . . A 24 ARG CG . 17707 1 224 . 1 1 58 58 ARG CD C 13 41.054 0.005 . 1 . . . A 24 ARG CD . 17707 1 225 . 1 1 58 58 ARG N N 15 114.767 0.005 . 1 . . . A 24 ARG N . 17707 1 226 . 1 1 58 58 ARG NE N 15 85.298 0.000 . 1 . . . A 24 ARG NE . 17707 1 227 . 1 1 59 59 THR H H 1 7.348 0.003 . 1 . . . A 25 THR H . 17707 1 228 . 1 1 59 59 THR HA H 1 4.015 0.004 . 1 . . . A 25 THR HA . 17707 1 229 . 1 1 59 59 THR HB H 1 4.021 0.006 . 1 . . . A 25 THR HB . 17707 1 230 . 1 1 59 59 THR HG21 H 1 1.093 0.002 . 2 . . . A 25 THR HG21 . 17707 1 231 . 1 1 59 59 THR HG22 H 1 1.093 0.002 . 2 . . . A 25 THR HG22 . 17707 1 232 . 1 1 59 59 THR HG23 H 1 1.093 0.002 . 2 . . . A 25 THR HG23 . 17707 1 233 . 1 1 59 59 THR CA C 13 62.247 0.003 . 1 . . . A 25 THR CA . 17707 1 234 . 1 1 59 59 THR CB C 13 65.785 0.004 . 1 . . . A 25 THR CB . 17707 1 235 . 1 1 59 59 THR CG2 C 13 19.218 0.012 . 1 . . . A 25 THR CG2 . 17707 1 236 . 1 1 59 59 THR N N 15 119.267 0.005 . 1 . . . A 25 THR N . 17707 1 237 . 1 1 60 60 SER H H 1 8.319 0.000 . 1 . . . A 26 SER H . 17707 1 238 . 1 1 60 60 SER HA H 1 4.861 0.007 . 1 . . . A 26 SER HA . 17707 1 239 . 1 1 60 60 SER HB2 H 1 3.947 0.002 . 2 . . . A 26 SER HB2 . 17707 1 240 . 1 1 60 60 SER HB3 H 1 4.368 0.012 . 2 . . . A 26 SER HB3 . 17707 1 241 . 1 1 60 60 SER CA C 13 52.864 0.000 . 1 . . . A 26 SER CA . 17707 1 242 . 1 1 60 60 SER CB C 13 61.783 0.011 . 1 . . . A 26 SER CB . 17707 1 243 . 1 1 60 60 SER N N 15 124.341 0.003 . 1 . . . A 26 SER N . 17707 1 244 . 1 1 61 61 PRO HA H 1 4.010 0.000 . 1 . . . A 27 PRO HA . 17707 1 245 . 1 1 61 61 PRO HG2 H 1 1.863 0.000 . 2 . . . A 27 PRO HG2 . 17707 1 246 . 1 1 61 61 PRO HG3 H 1 2.241 0.004 . 2 . . . A 27 PRO HG3 . 17707 1 247 . 1 1 61 61 PRO HD2 H 1 3.795 0.003 . 2 . . . A 27 PRO HD2 . 17707 1 248 . 1 1 61 61 PRO HD3 H 1 3.992 0.001 . 2 . . . A 27 PRO HD3 . 17707 1 249 . 1 1 61 61 PRO CA C 13 63.083 0.000 . 1 . . . A 27 PRO CA . 17707 1 250 . 1 1 61 61 PRO CG C 13 25.631 0.013 . 1 . . . A 27 PRO CG . 17707 1 251 . 1 1 61 61 PRO CD C 13 48.011 0.007 . 1 . . . A 27 PRO CD . 17707 1 252 . 1 1 62 62 ASP H H 1 8.020 0.003 . 1 . . . A 28 ASP H . 17707 1 253 . 1 1 62 62 ASP HA H 1 4.376 0.007 . 1 . . . A 28 ASP HA . 17707 1 254 . 1 1 62 62 ASP HB2 H 1 2.614 0.002 . 2 . . . A 28 ASP HB2 . 17707 1 255 . 1 1 62 62 ASP HB3 H 1 2.614 0.002 . 2 . . . A 28 ASP HB3 . 17707 1 256 . 1 1 62 62 ASP CA C 13 54.681 0.028 . 1 . . . A 28 ASP CA . 17707 1 257 . 1 1 62 62 ASP CB C 13 38.252 0.013 . 1 . . . A 28 ASP CB . 17707 1 258 . 1 1 62 62 ASP N N 15 115.615 0.016 . 1 . . . A 28 ASP N . 17707 1 259 . 1 1 63 63 THR H H 1 7.766 0.007 . 1 . . . A 29 THR H . 17707 1 260 . 1 1 63 63 THR HA H 1 3.902 0.004 . 1 . . . A 29 THR HA . 17707 1 261 . 1 1 63 63 THR HB H 1 4.325 0.005 . 1 . . . A 29 THR HB . 17707 1 262 . 1 1 63 63 THR HG21 H 1 1.254 0.003 . 2 . . . A 29 THR HG21 . 17707 1 263 . 1 1 63 63 THR HG22 H 1 1.254 0.003 . 2 . . . A 29 THR HG22 . 17707 1 264 . 1 1 63 63 THR HG23 H 1 1.254 0.003 . 2 . . . A 29 THR HG23 . 17707 1 265 . 1 1 63 63 THR CA C 13 63.729 0.008 . 1 . . . A 29 THR CA . 17707 1 266 . 1 1 63 63 THR CB C 13 65.634 0.008 . 1 . . . A 29 THR CB . 17707 1 267 . 1 1 63 63 THR CG2 C 13 19.530 0.005 . 1 . . . A 29 THR CG2 . 17707 1 268 . 1 1 63 63 THR N N 15 118.079 0.003 . 1 . . . A 29 THR N . 17707 1 269 . 1 1 64 64 LEU H H 1 7.495 0.005 . 1 . . . A 30 LEU H . 17707 1 270 . 1 1 64 64 LEU HA H 1 4.053 0.008 . 1 . . . A 30 LEU HA . 17707 1 271 . 1 1 64 64 LEU HB2 H 1 1.373 0.005 . 2 . . . A 30 LEU HB2 . 17707 1 272 . 1 1 64 64 LEU HB3 H 1 1.765 0.001 . 2 . . . A 30 LEU HB3 . 17707 1 273 . 1 1 64 64 LEU HG H 1 1.580 0.000 . 1 . . . A 30 LEU HG . 17707 1 274 . 1 1 64 64 LEU HD11 H 1 0.659 0.000 . 2 . . . A 30 LEU HD11 . 17707 1 275 . 1 1 64 64 LEU HD12 H 1 0.659 0.000 . 2 . . . A 30 LEU HD12 . 17707 1 276 . 1 1 64 64 LEU HD13 H 1 0.659 0.000 . 2 . . . A 30 LEU HD13 . 17707 1 277 . 1 1 64 64 LEU HD21 H 1 0.649 0.002 . 2 . . . A 30 LEU HD21 . 17707 1 278 . 1 1 64 64 LEU HD22 H 1 0.649 0.002 . 2 . . . A 30 LEU HD22 . 17707 1 279 . 1 1 64 64 LEU HD23 H 1 0.649 0.002 . 2 . . . A 30 LEU HD23 . 17707 1 280 . 1 1 64 64 LEU CA C 13 54.978 0.020 . 1 . . . A 30 LEU CA . 17707 1 281 . 1 1 64 64 LEU CB C 13 39.831 0.010 . 1 . . . A 30 LEU CB . 17707 1 282 . 1 1 64 64 LEU CD1 C 13 21.630 0.000 . 2 . . . A 30 LEU CD1 . 17707 1 283 . 1 1 64 64 LEU CD2 C 13 23.253 0.007 . 2 . . . A 30 LEU CD2 . 17707 1 284 . 1 1 64 64 LEU N N 15 118.985 0.002 . 1 . . . A 30 LEU N . 17707 1 285 . 1 1 65 65 ARG H H 1 8.583 0.003 . 1 . . . A 31 ARG H . 17707 1 286 . 1 1 65 65 ARG HA H 1 3.644 0.001 . 1 . . . A 31 ARG HA . 17707 1 287 . 1 1 65 65 ARG HB2 H 1 1.947 0.000 . 2 . . . A 31 ARG HB2 . 17707 1 288 . 1 1 65 65 ARG HB3 H 1 1.947 0.000 . 2 . . . A 31 ARG HB3 . 17707 1 289 . 1 1 65 65 ARG HG2 H 1 1.391 0.006 . 2 . . . A 31 ARG HG2 . 17707 1 290 . 1 1 65 65 ARG HG3 H 1 1.502 0.000 . 2 . . . A 31 ARG HG3 . 17707 1 291 . 1 1 65 65 ARG HD2 H 1 3.149 0.000 . 2 . . . A 31 ARG HD2 . 17707 1 292 . 1 1 65 65 ARG HD3 H 1 3.305 0.000 . 2 . . . A 31 ARG HD3 . 17707 1 293 . 1 1 65 65 ARG HE H 1 7.557 0.000 . 1 . . . A 31 ARG HE . 17707 1 294 . 1 1 65 65 ARG CA C 13 58.356 0.021 . 1 . . . A 31 ARG CA . 17707 1 295 . 1 1 65 65 ARG CG C 13 25.260 0.000 . 1 . . . A 31 ARG CG . 17707 1 296 . 1 1 65 65 ARG CD C 13 40.564 0.012 . 1 . . . A 31 ARG CD . 17707 1 297 . 1 1 65 65 ARG N N 15 119.245 0.007 . 1 . . . A 31 ARG N . 17707 1 298 . 1 1 65 65 ARG NE N 15 84.308 0.001 . 1 . . . A 31 ARG NE . 17707 1 299 . 1 1 66 66 ARG H H 1 7.707 0.007 . 1 . . . A 32 ARG H . 17707 1 300 . 1 1 66 66 ARG HA H 1 4.072 0.005 . 1 . . . A 32 ARG HA . 17707 1 301 . 1 1 66 66 ARG HB2 H 1 1.949 0.001 . 2 . . . A 32 ARG HB2 . 17707 1 302 . 1 1 66 66 ARG HB3 H 1 1.949 0.001 . 2 . . . A 32 ARG HB3 . 17707 1 303 . 1 1 66 66 ARG HG2 H 1 1.691 0.002 . 2 . . . A 32 ARG HG2 . 17707 1 304 . 1 1 66 66 ARG HG3 H 1 1.797 0.002 . 2 . . . A 32 ARG HG3 . 17707 1 305 . 1 1 66 66 ARG HD2 H 1 3.211 0.005 . 2 . . . A 32 ARG HD2 . 17707 1 306 . 1 1 66 66 ARG HD3 H 1 3.211 0.005 . 2 . . . A 32 ARG HD3 . 17707 1 307 . 1 1 66 66 ARG CA C 13 56.674 0.006 . 1 . . . A 32 ARG CA . 17707 1 308 . 1 1 66 66 ARG CB C 13 27.558 0.007 . 1 . . . A 32 ARG CB . 17707 1 309 . 1 1 66 66 ARG CG C 13 25.041 0.011 . 1 . . . A 32 ARG CG . 17707 1 310 . 1 1 66 66 ARG CD C 13 40.655 0.005 . 1 . . . A 32 ARG CD . 17707 1 311 . 1 1 66 66 ARG N N 15 115.695 0.002 . 1 . . . A 32 ARG N . 17707 1 312 . 1 1 67 67 VAL H H 1 7.739 0.003 . 1 . . . A 33 VAL H . 17707 1 313 . 1 1 67 67 VAL HA H 1 3.892 0.003 . 1 . . . A 33 VAL HA . 17707 1 314 . 1 1 67 67 VAL HB H 1 2.187 0.004 . 1 . . . A 33 VAL HB . 17707 1 315 . 1 1 67 67 VAL HG11 H 1 0.791 0.002 . 2 . . . A 33 VAL HG11 . 17707 1 316 . 1 1 67 67 VAL HG12 H 1 0.791 0.002 . 2 . . . A 33 VAL HG12 . 17707 1 317 . 1 1 67 67 VAL HG13 H 1 0.791 0.002 . 2 . . . A 33 VAL HG13 . 17707 1 318 . 1 1 67 67 VAL HG21 H 1 1.079 0.002 . 2 . . . A 33 VAL HG21 . 17707 1 319 . 1 1 67 67 VAL HG22 H 1 1.079 0.002 . 2 . . . A 33 VAL HG22 . 17707 1 320 . 1 1 67 67 VAL HG23 H 1 1.079 0.002 . 2 . . . A 33 VAL HG23 . 17707 1 321 . 1 1 67 67 VAL CA C 13 62.656 0.007 . 1 . . . A 33 VAL CA . 17707 1 322 . 1 1 67 67 VAL CB C 13 29.556 0.005 . 1 . . . A 33 VAL CB . 17707 1 323 . 1 1 67 67 VAL CG1 C 13 18.822 0.000 . 2 . . . A 33 VAL CG1 . 17707 1 324 . 1 1 67 67 VAL CG2 C 13 19.367 0.003 . 2 . . . A 33 VAL CG2 . 17707 1 325 . 1 1 67 67 VAL N N 15 115.500 0.003 . 1 . . . A 33 VAL N . 17707 1 326 . 1 1 68 68 PHE H H 1 8.253 0.003 . 1 . . . A 34 PHE H . 17707 1 327 . 1 1 68 68 PHE HA H 1 4.498 0.004 . 1 . . . A 34 PHE HA . 17707 1 328 . 1 1 68 68 PHE HB2 H 1 3.003 0.003 . 2 . . . A 34 PHE HB2 . 17707 1 329 . 1 1 68 68 PHE HB3 H 1 3.177 0.010 . 2 . . . A 34 PHE HB3 . 17707 1 330 . 1 1 68 68 PHE HD1 H 1 7.705 0.007 . 3 . . . A 34 PHE HD1 . 17707 1 331 . 1 1 68 68 PHE HD2 H 1 7.705 0.007 . 3 . . . A 34 PHE HD2 . 17707 1 332 . 1 1 68 68 PHE HE1 H 1 6.969 0.001 . 3 . . . A 34 PHE HE1 . 17707 1 333 . 1 1 68 68 PHE HE2 H 1 6.969 0.001 . 3 . . . A 34 PHE HE2 . 17707 1 334 . 1 1 68 68 PHE HZ H 1 6.951 0.005 . 1 . . . A 34 PHE HZ . 17707 1 335 . 1 1 68 68 PHE CA C 13 60.028 0.013 . 1 . . . A 34 PHE CA . 17707 1 336 . 1 1 68 68 PHE CB C 13 36.192 0.006 . 1 . . . A 34 PHE CB . 17707 1 337 . 1 1 68 68 PHE CD2 C 13 132.102 0.007 . 3 . . . A 34 PHE CD2 . 17707 1 338 . 1 1 68 68 PHE CE2 C 13 130.488 0.000 . 3 . . . A 34 PHE CE2 . 17707 1 339 . 1 1 68 68 PHE CZ C 13 128.785 0.000 . 1 . . . A 34 PHE CZ . 17707 1 340 . 1 1 68 68 PHE N N 15 116.290 0.003 . 1 . . . A 34 PHE N . 17707 1 341 . 1 1 69 69 GLU H H 1 8.583 0.004 . 1 . . . A 35 GLU H . 17707 1 342 . 1 1 69 69 GLU HA H 1 5.035 0.003 . 1 . . . A 35 GLU HA . 17707 1 343 . 1 1 69 69 GLU HB2 H 1 2.093 0.002 . 2 . . . A 35 GLU HB2 . 17707 1 344 . 1 1 69 69 GLU HB3 H 1 2.269 0.004 . 2 . . . A 35 GLU HB3 . 17707 1 345 . 1 1 69 69 GLU HG2 H 1 2.445 0.006 . 2 . . . A 35 GLU HG2 . 17707 1 346 . 1 1 69 69 GLU HG3 H 1 2.549 0.003 . 2 . . . A 35 GLU HG3 . 17707 1 347 . 1 1 69 69 GLU CA C 13 54.982 0.025 . 1 . . . A 35 GLU CA . 17707 1 348 . 1 1 69 69 GLU CB C 13 26.174 0.024 . 1 . . . A 35 GLU CB . 17707 1 349 . 1 1 69 69 GLU CG C 13 34.381 0.019 . 1 . . . A 35 GLU CG . 17707 1 350 . 1 1 69 69 GLU N N 15 119.333 0.016 . 1 . . . A 35 GLU N . 17707 1 351 . 1 1 70 70 LYS H H 1 6.871 0.001 . 1 . . . A 36 LYS H . 17707 1 352 . 1 1 70 70 LYS HA H 1 3.892 0.005 . 1 . . . A 36 LYS HA . 17707 1 353 . 1 1 70 70 LYS HB2 H 1 1.111 0.003 . 2 . . . A 36 LYS HB2 . 17707 1 354 . 1 1 70 70 LYS HB3 H 1 1.416 0.005 . 2 . . . A 36 LYS HB3 . 17707 1 355 . 1 1 70 70 LYS HG2 H 1 0.926 0.003 . 2 . . . A 36 LYS HG2 . 17707 1 356 . 1 1 70 70 LYS HG3 H 1 1.088 0.010 . 2 . . . A 36 LYS HG3 . 17707 1 357 . 1 1 70 70 LYS HD2 H 1 1.516 0.007 . 2 . . . A 36 LYS HD2 . 17707 1 358 . 1 1 70 70 LYS HD3 H 1 1.516 0.007 . 2 . . . A 36 LYS HD3 . 17707 1 359 . 1 1 70 70 LYS HE2 H 1 2.863 0.005 . 2 . . . A 36 LYS HE2 . 17707 1 360 . 1 1 70 70 LYS HE3 H 1 2.863 0.005 . 2 . . . A 36 LYS HE3 . 17707 1 361 . 1 1 70 70 LYS CA C 13 55.459 0.001 . 1 . . . A 36 LYS CA . 17707 1 362 . 1 1 70 70 LYS CB C 13 29.224 0.022 . 1 . . . A 36 LYS CB . 17707 1 363 . 1 1 70 70 LYS CG C 13 21.654 0.029 . 1 . . . A 36 LYS CG . 17707 1 364 . 1 1 70 70 LYS CD C 13 26.131 0.007 . 1 . . . A 36 LYS CD . 17707 1 365 . 1 1 70 70 LYS CE C 13 39.337 0.018 . 1 . . . A 36 LYS CE . 17707 1 366 . 1 1 70 70 LYS N N 15 118.341 0.003 . 1 . . . A 36 LYS N . 17707 1 367 . 1 1 71 71 TYR H H 1 7.611 0.001 . 1 . . . A 37 TYR H . 17707 1 368 . 1 1 71 71 TYR HA H 1 4.307 0.005 . 1 . . . A 37 TYR HA . 17707 1 369 . 1 1 71 71 TYR HB2 H 1 2.772 0.004 . 2 . . . A 37 TYR HB2 . 17707 1 370 . 1 1 71 71 TYR HB3 H 1 3.331 0.003 . 2 . . . A 37 TYR HB3 . 17707 1 371 . 1 1 71 71 TYR HD1 H 1 7.212 0.006 . 3 . . . A 37 TYR HD1 . 17707 1 372 . 1 1 71 71 TYR HD2 H 1 7.212 0.006 . 3 . . . A 37 TYR HD2 . 17707 1 373 . 1 1 71 71 TYR HE1 H 1 6.597 0.007 . 3 . . . A 37 TYR HE1 . 17707 1 374 . 1 1 71 71 TYR HE2 H 1 6.597 0.007 . 3 . . . A 37 TYR HE2 . 17707 1 375 . 1 1 71 71 TYR CA C 13 56.234 0.019 . 1 . . . A 37 TYR CA . 17707 1 376 . 1 1 71 71 TYR CB C 13 36.635 0.004 . 1 . . . A 37 TYR CB . 17707 1 377 . 1 1 71 71 TYR CD2 C 13 132.734 0.000 . 3 . . . A 37 TYR CD2 . 17707 1 378 . 1 1 71 71 TYR CE2 C 13 118.533 0.000 . 3 . . . A 37 TYR CE2 . 17707 1 379 . 1 1 71 71 TYR N N 15 115.014 0.006 . 1 . . . A 37 TYR N . 17707 1 380 . 1 1 72 72 GLY H H 1 7.356 0.000 . 1 . . . A 38 GLY H . 17707 1 381 . 1 1 72 72 GLY HA2 H 1 3.821 0.001 . 2 . . . A 38 GLY HA2 . 17707 1 382 . 1 1 72 72 GLY HA3 H 1 4.668 0.011 . 2 . . . A 38 GLY HA3 . 17707 1 383 . 1 1 72 72 GLY CA C 13 41.629 0.000 . 1 . . . A 38 GLY CA . 17707 1 384 . 1 1 72 72 GLY N N 15 104.741 0.000 . 1 . . . A 38 GLY N . 17707 1 385 . 1 1 73 73 ARG H H 1 7.990 0.003 . 1 . . . A 39 ARG H . 17707 1 386 . 1 1 73 73 ARG HA H 1 4.368 0.011 . 1 . . . A 39 ARG HA . 17707 1 387 . 1 1 73 73 ARG HB2 H 1 1.929 0.007 . 2 . . . A 39 ARG HB2 . 17707 1 388 . 1 1 73 73 ARG HB3 H 1 1.929 0.007 . 2 . . . A 39 ARG HB3 . 17707 1 389 . 1 1 73 73 ARG HG2 H 1 1.637 0.000 . 2 . . . A 39 ARG HG2 . 17707 1 390 . 1 1 73 73 ARG HG3 H 1 1.776 0.000 . 2 . . . A 39 ARG HG3 . 17707 1 391 . 1 1 73 73 ARG HD2 H 1 3.163 0.003 . 2 . . . A 39 ARG HD2 . 17707 1 392 . 1 1 73 73 ARG HD3 H 1 3.163 0.003 . 2 . . . A 39 ARG HD3 . 17707 1 393 . 1 1 73 73 ARG HE H 1 7.554 0.000 . 1 . . . A 39 ARG HE . 17707 1 394 . 1 1 73 73 ARG CA C 13 54.703 0.000 . 1 . . . A 39 ARG CA . 17707 1 395 . 1 1 73 73 ARG CB C 13 27.852 0.007 . 1 . . . A 39 ARG CB . 17707 1 396 . 1 1 73 73 ARG CD C 13 40.767 0.031 . 1 . . . A 39 ARG CD . 17707 1 397 . 1 1 73 73 ARG N N 15 115.783 0.009 . 1 . . . A 39 ARG N . 17707 1 398 . 1 1 73 73 ARG NE N 15 84.271 0.000 . 1 . . . A 39 ARG NE . 17707 1 399 . 1 1 74 74 VAL H H 1 8.846 0.001 . 1 . . . A 40 VAL H . 17707 1 400 . 1 1 74 74 VAL HA H 1 3.699 0.006 . 1 . . . A 40 VAL HA . 17707 1 401 . 1 1 74 74 VAL HB H 1 1.887 0.005 . 1 . . . A 40 VAL HB . 17707 1 402 . 1 1 74 74 VAL HG11 H 1 0.484 0.003 . 2 . . . A 40 VAL HG11 . 17707 1 403 . 1 1 74 74 VAL HG12 H 1 0.484 0.003 . 2 . . . A 40 VAL HG12 . 17707 1 404 . 1 1 74 74 VAL HG13 H 1 0.484 0.003 . 2 . . . A 40 VAL HG13 . 17707 1 405 . 1 1 74 74 VAL HG21 H 1 0.560 0.004 . 2 . . . A 40 VAL HG21 . 17707 1 406 . 1 1 74 74 VAL HG22 H 1 0.560 0.004 . 2 . . . A 40 VAL HG22 . 17707 1 407 . 1 1 74 74 VAL HG23 H 1 0.560 0.004 . 2 . . . A 40 VAL HG23 . 17707 1 408 . 1 1 74 74 VAL CA C 13 59.483 0.000 . 1 . . . A 40 VAL CA . 17707 1 409 . 1 1 74 74 VAL CB C 13 30.299 0.000 . 1 . . . A 40 VAL CB . 17707 1 410 . 1 1 74 74 VAL CG1 C 13 19.514 0.011 . 2 . . . A 40 VAL CG1 . 17707 1 411 . 1 1 74 74 VAL CG2 C 13 19.752 0.002 . 2 . . . A 40 VAL CG2 . 17707 1 412 . 1 1 74 74 VAL N N 15 130.246 0.012 . 1 . . . A 40 VAL N . 17707 1 413 . 1 1 75 75 GLY H H 1 8.943 0.001 . 1 . . . A 41 GLY H . 17707 1 414 . 1 1 75 75 GLY HA2 H 1 3.354 0.007 . 2 . . . A 41 GLY HA2 . 17707 1 415 . 1 1 75 75 GLY HA3 H 1 4.324 0.003 . 2 . . . A 41 GLY HA3 . 17707 1 416 . 1 1 75 75 GLY CA C 13 42.905 0.022 . 1 . . . A 41 GLY CA . 17707 1 417 . 1 1 75 75 GLY N N 15 114.952 0.011 . 1 . . . A 41 GLY N . 17707 1 418 . 1 1 76 76 ASP H H 1 7.224 0.003 . 1 . . . A 42 ASP H . 17707 1 419 . 1 1 76 76 ASP HA H 1 4.712 0.005 . 1 . . . A 42 ASP HA . 17707 1 420 . 1 1 76 76 ASP HB2 H 1 2.873 0.006 . 2 . . . A 42 ASP HB2 . 17707 1 421 . 1 1 76 76 ASP HB3 H 1 2.873 0.006 . 2 . . . A 42 ASP HB3 . 17707 1 422 . 1 1 76 76 ASP CA C 13 52.514 0.006 . 1 . . . A 42 ASP CA . 17707 1 423 . 1 1 76 76 ASP N N 15 115.344 0.024 . 1 . . . A 42 ASP N . 17707 1 424 . 1 1 77 77 VAL H H 1 7.551 0.008 . 1 . . . A 43 VAL H . 17707 1 425 . 1 1 77 77 VAL HA H 1 4.723 0.000 . 1 . . . A 43 VAL HA . 17707 1 426 . 1 1 77 77 VAL HB H 1 1.875 0.003 . 1 . . . A 43 VAL HB . 17707 1 427 . 1 1 77 77 VAL HG11 H 1 0.810 0.002 . 2 . . . A 43 VAL HG11 . 17707 1 428 . 1 1 77 77 VAL HG12 H 1 0.810 0.002 . 2 . . . A 43 VAL HG12 . 17707 1 429 . 1 1 77 77 VAL HG13 H 1 0.810 0.002 . 2 . . . A 43 VAL HG13 . 17707 1 430 . 1 1 77 77 VAL HG21 H 1 0.863 0.006 . 2 . . . A 43 VAL HG21 . 17707 1 431 . 1 1 77 77 VAL HG22 H 1 0.863 0.006 . 2 . . . A 43 VAL HG22 . 17707 1 432 . 1 1 77 77 VAL HG23 H 1 0.863 0.006 . 2 . . . A 43 VAL HG23 . 17707 1 433 . 1 1 77 77 VAL CA C 13 59.347 0.000 . 1 . . . A 43 VAL CA . 17707 1 434 . 1 1 77 77 VAL CB C 13 32.582 0.019 . 1 . . . A 43 VAL CB . 17707 1 435 . 1 1 77 77 VAL CG1 C 13 19.385 0.012 . 2 . . . A 43 VAL CG1 . 17707 1 436 . 1 1 77 77 VAL CG2 C 13 19.527 0.008 . 2 . . . A 43 VAL CG2 . 17707 1 437 . 1 1 77 77 VAL N N 15 122.703 0.019 . 1 . . . A 43 VAL N . 17707 1 438 . 1 1 78 78 TYR H H 1 9.023 0.002 . 1 . . . A 44 TYR H . 17707 1 439 . 1 1 78 78 TYR HA H 1 4.971 0.006 . 1 . . . A 44 TYR HA . 17707 1 440 . 1 1 78 78 TYR HB2 H 1 2.588 0.000 . 2 . . . A 44 TYR HB2 . 17707 1 441 . 1 1 78 78 TYR HB3 H 1 2.987 0.000 . 2 . . . A 44 TYR HB3 . 17707 1 442 . 1 1 78 78 TYR HD1 H 1 6.685 0.004 . 3 . . . A 44 TYR HD1 . 17707 1 443 . 1 1 78 78 TYR HD2 H 1 6.685 0.004 . 3 . . . A 44 TYR HD2 . 17707 1 444 . 1 1 78 78 TYR HE1 H 1 6.554 0.008 . 3 . . . A 44 TYR HE1 . 17707 1 445 . 1 1 78 78 TYR HE2 H 1 6.554 0.008 . 3 . . . A 44 TYR HE2 . 17707 1 446 . 1 1 78 78 TYR CA C 13 53.306 0.000 . 1 . . . A 44 TYR CA . 17707 1 447 . 1 1 78 78 TYR CD2 C 13 131.470 0.002 . 3 . . . A 44 TYR CD2 . 17707 1 448 . 1 1 78 78 TYR CE2 C 13 118.090 0.000 . 3 . . . A 44 TYR CE2 . 17707 1 449 . 1 1 78 78 TYR N N 15 125.956 0.014 . 1 . . . A 44 TYR N . 17707 1 450 . 1 1 79 79 ILE H H 1 8.231 0.000 . 1 . . . A 45 ILE H . 17707 1 451 . 1 1 79 79 ILE HA H 1 4.256 0.005 . 1 . . . A 45 ILE HA . 17707 1 452 . 1 1 79 79 ILE HB H 1 1.567 0.003 . 1 . . . A 45 ILE HB . 17707 1 453 . 1 1 79 79 ILE HG12 H 1 1.137 0.006 . 2 . . . A 45 ILE HG12 . 17707 1 454 . 1 1 79 79 ILE HG13 H 1 1.137 0.006 . 2 . . . A 45 ILE HG13 . 17707 1 455 . 1 1 79 79 ILE HG21 H 1 0.611 0.005 . 2 . . . A 45 ILE HG21 . 17707 1 456 . 1 1 79 79 ILE HG22 H 1 0.611 0.005 . 2 . . . A 45 ILE HG22 . 17707 1 457 . 1 1 79 79 ILE HG23 H 1 0.611 0.005 . 2 . . . A 45 ILE HG23 . 17707 1 458 . 1 1 79 79 ILE HD11 H 1 0.477 0.003 . 2 . . . A 45 ILE HD11 . 17707 1 459 . 1 1 79 79 ILE HD12 H 1 0.477 0.003 . 2 . . . A 45 ILE HD12 . 17707 1 460 . 1 1 79 79 ILE HD13 H 1 0.477 0.003 . 2 . . . A 45 ILE HD13 . 17707 1 461 . 1 1 79 79 ILE CA C 13 55.398 0.000 . 1 . . . A 45 ILE CA . 17707 1 462 . 1 1 79 79 ILE CB C 13 36.314 0.003 . 1 . . . A 45 ILE CB . 17707 1 463 . 1 1 79 79 ILE CG1 C 13 24.505 0.017 . 1 . . . A 45 ILE CG1 . 17707 1 464 . 1 1 79 79 ILE CG2 C 13 13.995 0.002 . 1 . . . A 45 ILE CG2 . 17707 1 465 . 1 1 79 79 ILE CD1 C 13 10.803 0.013 . 1 . . . A 45 ILE CD1 . 17707 1 466 . 1 1 79 79 ILE N N 15 129.856 0.014 . 1 . . . A 45 ILE N . 17707 1 467 . 1 1 80 80 PRO HA H 1 3.904 0.002 . 1 . . . A 46 PRO HA . 17707 1 468 . 1 1 80 80 PRO HG2 H 1 1.612 0.013 . 2 . . . A 46 PRO HG2 . 17707 1 469 . 1 1 80 80 PRO HG3 H 1 1.612 0.013 . 2 . . . A 46 PRO HG3 . 17707 1 470 . 1 1 80 80 PRO HD2 H 1 2.883 0.000 . 2 . . . A 46 PRO HD2 . 17707 1 471 . 1 1 80 80 PRO HD3 H 1 3.072 0.000 . 2 . . . A 46 PRO HD3 . 17707 1 472 . 1 1 80 80 PRO CA C 13 59.641 0.024 . 1 . . . A 46 PRO CA . 17707 1 473 . 1 1 80 80 PRO CD C 13 47.209 0.034 . 1 . . . A 46 PRO CD . 17707 1 474 . 1 1 81 81 ARG H H 1 8.593 0.000 . 1 . . . A 47 ARG H . 17707 1 475 . 1 1 82 82 ASP H H 1 8.948 0.006 . 1 . . . A 48 ASP H . 17707 1 476 . 1 1 82 82 ASP HA H 1 4.382 0.004 . 1 . . . A 48 ASP HA . 17707 1 477 . 1 1 82 82 ASP HB2 H 1 2.525 0.002 . 2 . . . A 48 ASP HB2 . 17707 1 478 . 1 1 82 82 ASP HB3 H 1 2.972 0.006 . 2 . . . A 48 ASP HB3 . 17707 1 479 . 1 1 82 82 ASP CA C 13 52.459 0.002 . 1 . . . A 48 ASP CA . 17707 1 480 . 1 1 82 82 ASP CB C 13 41.308 0.002 . 1 . . . A 48 ASP CB . 17707 1 481 . 1 1 82 82 ASP N N 15 125.712 0.016 . 1 . . . A 48 ASP N . 17707 1 482 . 1 1 83 83 ARG H H 1 8.688 0.006 . 1 . . . A 49 ARG H . 17707 1 483 . 1 1 83 83 ARG HA H 1 3.696 0.005 . 1 . . . A 49 ARG HA . 17707 1 484 . 1 1 83 83 ARG HB2 H 1 0.769 0.003 . 2 . . . A 49 ARG HB2 . 17707 1 485 . 1 1 83 83 ARG HB3 H 1 0.769 0.003 . 2 . . . A 49 ARG HB3 . 17707 1 486 . 1 1 83 83 ARG HD2 H 1 2.453 0.000 . 2 . . . A 49 ARG HD2 . 17707 1 487 . 1 1 83 83 ARG HD3 H 1 2.453 0.000 . 2 . . . A 49 ARG HD3 . 17707 1 488 . 1 1 83 83 ARG CA C 13 55.614 0.015 . 1 . . . A 49 ARG CA . 17707 1 489 . 1 1 83 83 ARG CD C 13 40.675 0.000 . 1 . . . A 49 ARG CD . 17707 1 490 . 1 1 83 83 ARG N N 15 125.207 0.006 . 1 . . . A 49 ARG N . 17707 1 491 . 1 1 84 84 TYR H H 1 8.449 0.006 . 1 . . . A 50 TYR H . 17707 1 492 . 1 1 84 84 TYR HA H 1 4.594 0.008 . 1 . . . A 50 TYR HA . 17707 1 493 . 1 1 84 84 TYR HB2 H 1 3.013 0.004 . 2 . . . A 50 TYR HB2 . 17707 1 494 . 1 1 84 84 TYR HB3 H 1 3.102 0.003 . 2 . . . A 50 TYR HB3 . 17707 1 495 . 1 1 84 84 TYR HD1 H 1 7.178 0.004 . 3 . . . A 50 TYR HD1 . 17707 1 496 . 1 1 84 84 TYR HD2 H 1 7.178 0.004 . 3 . . . A 50 TYR HD2 . 17707 1 497 . 1 1 84 84 TYR HE1 H 1 6.771 0.006 . 3 . . . A 50 TYR HE1 . 17707 1 498 . 1 1 84 84 TYR HE2 H 1 6.771 0.006 . 3 . . . A 50 TYR HE2 . 17707 1 499 . 1 1 84 84 TYR CA C 13 56.766 0.000 . 1 . . . A 50 TYR CA . 17707 1 500 . 1 1 84 84 TYR CB C 13 36.187 0.025 . 1 . . . A 50 TYR CB . 17707 1 501 . 1 1 84 84 TYR CD2 C 13 133.232 0.006 . 3 . . . A 50 TYR CD2 . 17707 1 502 . 1 1 84 84 TYR CE2 C 13 118.184 0.017 . 3 . . . A 50 TYR CE2 . 17707 1 503 . 1 1 84 84 TYR N N 15 117.911 0.009 . 1 . . . A 50 TYR N . 17707 1 504 . 1 1 85 85 THR H H 1 9.141 0.002 . 1 . . . A 51 THR H . 17707 1 505 . 1 1 85 85 THR HA H 1 4.230 0.002 . 1 . . . A 51 THR HA . 17707 1 506 . 1 1 85 85 THR HB H 1 4.357 0.002 . 1 . . . A 51 THR HB . 17707 1 507 . 1 1 85 85 THR HG21 H 1 1.235 0.003 . 2 . . . A 51 THR HG21 . 17707 1 508 . 1 1 85 85 THR HG22 H 1 1.235 0.003 . 2 . . . A 51 THR HG22 . 17707 1 509 . 1 1 85 85 THR HG23 H 1 1.235 0.003 . 2 . . . A 51 THR HG23 . 17707 1 510 . 1 1 85 85 THR CA C 13 59.620 0.006 . 1 . . . A 51 THR CA . 17707 1 511 . 1 1 85 85 THR CB C 13 67.745 0.009 . 1 . . . A 51 THR CB . 17707 1 512 . 1 1 85 85 THR CG2 C 13 18.754 0.003 . 1 . . . A 51 THR CG2 . 17707 1 513 . 1 1 85 85 THR N N 15 110.450 0.006 . 1 . . . A 51 THR N . 17707 1 514 . 1 1 86 86 LYS H H 1 7.821 0.006 . 1 . . . A 52 LYS H . 17707 1 515 . 1 1 86 86 LYS HA H 1 3.955 0.000 . 1 . . . A 52 LYS HA . 17707 1 516 . 1 1 86 86 LYS HB2 H 1 1.964 0.000 . 2 . . . A 52 LYS HB2 . 17707 1 517 . 1 1 86 86 LYS HB3 H 1 2.151 0.000 . 2 . . . A 52 LYS HB3 . 17707 1 518 . 1 1 86 86 LYS HG2 H 1 1.191 0.002 . 2 . . . A 52 LYS HG2 . 17707 1 519 . 1 1 86 86 LYS HG3 H 1 1.378 0.000 . 2 . . . A 52 LYS HG3 . 17707 1 520 . 1 1 86 86 LYS HD2 H 1 1.594 0.004 . 2 . . . A 52 LYS HD2 . 17707 1 521 . 1 1 86 86 LYS HD3 H 1 1.594 0.004 . 2 . . . A 52 LYS HD3 . 17707 1 522 . 1 1 86 86 LYS HE2 H 1 2.950 0.019 . 2 . . . A 52 LYS HE2 . 17707 1 523 . 1 1 86 86 LYS HE3 H 1 2.950 0.019 . 2 . . . A 52 LYS HE3 . 17707 1 524 . 1 1 86 86 LYS CA C 13 54.428 0.000 . 1 . . . A 52 LYS CA . 17707 1 525 . 1 1 86 86 LYS CG C 13 22.048 0.000 . 1 . . . A 52 LYS CG . 17707 1 526 . 1 1 86 86 LYS CD C 13 25.946 0.000 . 1 . . . A 52 LYS CD . 17707 1 527 . 1 1 86 86 LYS CE C 13 39.827 0.000 . 1 . . . A 52 LYS CE . 17707 1 528 . 1 1 86 86 LYS N N 15 113.570 0.008 . 1 . . . A 52 LYS N . 17707 1 529 . 1 1 87 87 GLU H H 1 7.714 0.002 . 1 . . . A 53 GLU H . 17707 1 530 . 1 1 87 87 GLU HA H 1 4.380 0.007 . 1 . . . A 53 GLU HA . 17707 1 531 . 1 1 87 87 GLU HB2 H 1 1.716 0.003 . 2 . . . A 53 GLU HB2 . 17707 1 532 . 1 1 87 87 GLU HB3 H 1 1.977 0.002 . 2 . . . A 53 GLU HB3 . 17707 1 533 . 1 1 87 87 GLU HG2 H 1 2.157 0.003 . 2 . . . A 53 GLU HG2 . 17707 1 534 . 1 1 87 87 GLU HG3 H 1 2.249 0.000 . 2 . . . A 53 GLU HG3 . 17707 1 535 . 1 1 87 87 GLU CA C 13 52.641 0.000 . 1 . . . A 53 GLU CA . 17707 1 536 . 1 1 87 87 GLU CB C 13 28.841 0.026 . 1 . . . A 53 GLU CB . 17707 1 537 . 1 1 87 87 GLU CG C 13 33.382 0.009 . 1 . . . A 53 GLU CG . 17707 1 538 . 1 1 87 87 GLU N N 15 118.364 0.005 . 1 . . . A 53 GLU N . 17707 1 539 . 1 1 88 88 SER H H 1 8.705 0.005 . 1 . . . A 54 SER H . 17707 1 540 . 1 1 88 88 SER HB2 H 1 3.685 0.002 . 2 . . . A 54 SER HB2 . 17707 1 541 . 1 1 88 88 SER HB3 H 1 3.976 0.001 . 2 . . . A 54 SER HB3 . 17707 1 542 . 1 1 88 88 SER CB C 13 61.369 0.022 . 1 . . . A 54 SER CB . 17707 1 543 . 1 1 88 88 SER N N 15 115.692 0.004 . 1 . . . A 54 SER N . 17707 1 544 . 1 1 89 89 ARG H H 1 7.934 0.001 . 1 . . . A 55 ARG H . 17707 1 545 . 1 1 89 89 ARG HA H 1 4.317 0.004 . 1 . . . A 55 ARG HA . 17707 1 546 . 1 1 89 89 ARG HB2 H 1 1.270 0.003 . 2 . . . A 55 ARG HB2 . 17707 1 547 . 1 1 89 89 ARG HB3 H 1 1.270 0.003 . 2 . . . A 55 ARG HB3 . 17707 1 548 . 1 1 89 89 ARG HG2 H 1 1.554 0.000 . 2 . . . A 55 ARG HG2 . 17707 1 549 . 1 1 89 89 ARG HG3 H 1 1.554 0.000 . 2 . . . A 55 ARG HG3 . 17707 1 550 . 1 1 89 89 ARG CA C 13 53.794 0.016 . 1 . . . A 55 ARG CA . 17707 1 551 . 1 1 89 89 ARG N N 15 122.170 0.004 . 1 . . . A 55 ARG N . 17707 1 552 . 1 1 90 90 GLY H H 1 8.557 0.005 . 1 . . . A 56 GLY H . 17707 1 553 . 1 1 90 90 GLY HA2 H 1 3.444 0.007 . 2 . . . A 56 GLY HA2 . 17707 1 554 . 1 1 90 90 GLY HA3 H 1 4.295 0.003 . 2 . . . A 56 GLY HA3 . 17707 1 555 . 1 1 90 90 GLY CA C 13 43.275 0.011 . 1 . . . A 56 GLY CA . 17707 1 556 . 1 1 90 90 GLY N N 15 106.948 0.001 . 1 . . . A 56 GLY N . 17707 1 557 . 1 1 91 91 PHE H H 1 6.936 0.001 . 1 . . . A 57 PHE H . 17707 1 558 . 1 1 91 91 PHE HA H 1 5.592 0.009 . 1 . . . A 57 PHE HA . 17707 1 559 . 1 1 91 91 PHE HB2 H 1 2.844 0.012 . 2 . . . A 57 PHE HB2 . 17707 1 560 . 1 1 91 91 PHE HB3 H 1 3.028 0.003 . 2 . . . A 57 PHE HB3 . 17707 1 561 . 1 1 91 91 PHE HD1 H 1 6.472 0.003 . 3 . . . A 57 PHE HD1 . 17707 1 562 . 1 1 91 91 PHE HD2 H 1 6.472 0.003 . 3 . . . A 57 PHE HD2 . 17707 1 563 . 1 1 91 91 PHE HE1 H 1 6.950 0.002 . 3 . . . A 57 PHE HE1 . 17707 1 564 . 1 1 91 91 PHE HE2 H 1 6.950 0.002 . 3 . . . A 57 PHE HE2 . 17707 1 565 . 1 1 91 91 PHE HZ H 1 7.019 0.000 . 1 . . . A 57 PHE HZ . 17707 1 566 . 1 1 91 91 PHE CA C 13 51.911 0.022 . 1 . . . A 57 PHE CA . 17707 1 567 . 1 1 91 91 PHE CB C 13 39.778 0.006 . 1 . . . A 57 PHE CB . 17707 1 568 . 1 1 91 91 PHE CD1 C 13 132.389 0.017 . 3 . . . A 57 PHE CD1 . 17707 1 569 . 1 1 91 91 PHE CE1 C 13 130.999 0.000 . 3 . . . A 57 PHE CE1 . 17707 1 570 . 1 1 91 91 PHE CZ C 13 128.237 0.000 . 1 . . . A 57 PHE CZ . 17707 1 571 . 1 1 91 91 PHE N N 15 113.487 0.021 . 1 . . . A 57 PHE N . 17707 1 572 . 1 1 92 92 ALA H H 1 8.848 0.003 . 1 . . . A 58 ALA H . 17707 1 573 . 1 1 92 92 ALA HA H 1 4.748 0.004 . 1 . . . A 58 ALA HA . 17707 1 574 . 1 1 92 92 ALA HB1 H 1 0.846 0.001 . 2 . . . A 58 ALA HB1 . 17707 1 575 . 1 1 92 92 ALA HB2 H 1 0.846 0.001 . 2 . . . A 58 ALA HB2 . 17707 1 576 . 1 1 92 92 ALA HB3 H 1 0.846 0.001 . 2 . . . A 58 ALA HB3 . 17707 1 577 . 1 1 92 92 ALA CA C 13 46.535 0.034 . 1 . . . A 58 ALA CA . 17707 1 578 . 1 1 92 92 ALA CB C 13 23.598 0.000 . 1 . . . A 58 ALA CB . 17707 1 579 . 1 1 92 92 ALA N N 15 117.841 0.007 . 1 . . . A 58 ALA N . 17707 1 580 . 1 1 93 93 PHE H H 1 8.824 0.007 . 1 . . . A 59 PHE H . 17707 1 581 . 1 1 93 93 PHE HA H 1 5.673 0.003 . 1 . . . A 59 PHE HA . 17707 1 582 . 1 1 93 93 PHE HB2 H 1 2.675 0.003 . 2 . . . A 59 PHE HB2 . 17707 1 583 . 1 1 93 93 PHE HB3 H 1 2.791 0.003 . 2 . . . A 59 PHE HB3 . 17707 1 584 . 1 1 93 93 PHE HD1 H 1 6.833 0.005 . 3 . . . A 59 PHE HD1 . 17707 1 585 . 1 1 93 93 PHE HD2 H 1 6.833 0.005 . 3 . . . A 59 PHE HD2 . 17707 1 586 . 1 1 93 93 PHE HZ H 1 6.825 0.005 . 1 . . . A 59 PHE HZ . 17707 1 587 . 1 1 93 93 PHE CA C 13 53.862 0.008 . 1 . . . A 59 PHE CA . 17707 1 588 . 1 1 93 93 PHE CB C 13 37.898 0.000 . 1 . . . A 59 PHE CB . 17707 1 589 . 1 1 93 93 PHE CD1 C 13 131.452 0.023 . 3 . . . A 59 PHE CD1 . 17707 1 590 . 1 1 93 93 PHE CZ C 13 129.792 0.008 . 1 . . . A 59 PHE CZ . 17707 1 591 . 1 1 93 93 PHE N N 15 115.981 0.003 . 1 . . . A 59 PHE N . 17707 1 592 . 1 1 94 94 VAL H H 1 8.581 0.001 . 1 . . . A 60 VAL H . 17707 1 593 . 1 1 94 94 VAL HA H 1 4.304 0.003 . 1 . . . A 60 VAL HA . 17707 1 594 . 1 1 94 94 VAL HB H 1 1.260 0.003 . 1 . . . A 60 VAL HB . 17707 1 595 . 1 1 94 94 VAL HG11 H 1 0.257 0.005 . 2 . . . A 60 VAL HG11 . 17707 1 596 . 1 1 94 94 VAL HG12 H 1 0.257 0.005 . 2 . . . A 60 VAL HG12 . 17707 1 597 . 1 1 94 94 VAL HG13 H 1 0.257 0.005 . 2 . . . A 60 VAL HG13 . 17707 1 598 . 1 1 94 94 VAL HG21 H 1 0.278 0.005 . 2 . . . A 60 VAL HG21 . 17707 1 599 . 1 1 94 94 VAL HG22 H 1 0.278 0.005 . 2 . . . A 60 VAL HG22 . 17707 1 600 . 1 1 94 94 VAL HG23 H 1 0.278 0.005 . 2 . . . A 60 VAL HG23 . 17707 1 601 . 1 1 94 94 VAL CA C 13 58.931 0.014 . 1 . . . A 60 VAL CA . 17707 1 602 . 1 1 94 94 VAL CB C 13 31.429 0.031 . 1 . . . A 60 VAL CB . 17707 1 603 . 1 1 94 94 VAL CG1 C 13 18.282 0.007 . 2 . . . A 60 VAL CG1 . 17707 1 604 . 1 1 94 94 VAL CG2 C 13 18.331 0.007 . 2 . . . A 60 VAL CG2 . 17707 1 605 . 1 1 94 94 VAL N N 15 123.120 0.007 . 1 . . . A 60 VAL N . 17707 1 606 . 1 1 95 95 ARG H H 1 8.727 0.003 . 1 . . . A 61 ARG H . 17707 1 607 . 1 1 95 95 ARG HA H 1 5.552 0.006 . 1 . . . A 61 ARG HA . 17707 1 608 . 1 1 95 95 ARG HB2 H 1 1.637 0.000 . 2 . . . A 61 ARG HB2 . 17707 1 609 . 1 1 95 95 ARG HB3 H 1 1.637 0.000 . 2 . . . A 61 ARG HB3 . 17707 1 610 . 1 1 95 95 ARG HG2 H 1 1.239 0.003 . 2 . . . A 61 ARG HG2 . 17707 1 611 . 1 1 95 95 ARG HG3 H 1 1.239 0.003 . 2 . . . A 61 ARG HG3 . 17707 1 612 . 1 1 95 95 ARG HD2 H 1 2.844 0.011 . 2 . . . A 61 ARG HD2 . 17707 1 613 . 1 1 95 95 ARG HD3 H 1 2.844 0.011 . 2 . . . A 61 ARG HD3 . 17707 1 614 . 1 1 95 95 ARG HE H 1 6.946 0.001 . 1 . . . A 61 ARG HE . 17707 1 615 . 1 1 95 95 ARG CA C 13 50.515 0.000 . 1 . . . A 61 ARG CA . 17707 1 616 . 1 1 95 95 ARG CD C 13 40.978 0.020 . 1 . . . A 61 ARG CD . 17707 1 617 . 1 1 95 95 ARG N N 15 123.954 0.023 . 1 . . . A 61 ARG N . 17707 1 618 . 1 1 95 95 ARG NE N 15 84.375 0.029 . 1 . . . A 61 ARG NE . 17707 1 619 . 1 1 96 96 PHE H H 1 9.127 0.007 . 1 . . . A 62 PHE H . 17707 1 620 . 1 1 96 96 PHE HA H 1 4.903 0.005 . 1 . . . A 62 PHE HA . 17707 1 621 . 1 1 96 96 PHE HB2 H 1 2.613 0.007 . 2 . . . A 62 PHE HB2 . 17707 1 622 . 1 1 96 96 PHE HB3 H 1 3.707 0.006 . 2 . . . A 62 PHE HB3 . 17707 1 623 . 1 1 96 96 PHE HD1 H 1 7.150 0.010 . 3 . . . A 62 PHE HD1 . 17707 1 624 . 1 1 96 96 PHE HD2 H 1 7.150 0.010 . 3 . . . A 62 PHE HD2 . 17707 1 625 . 1 1 96 96 PHE HE1 H 1 7.053 0.001 . 3 . . . A 62 PHE HE1 . 17707 1 626 . 1 1 96 96 PHE HE2 H 1 7.053 0.001 . 3 . . . A 62 PHE HE2 . 17707 1 627 . 1 1 96 96 PHE HZ H 1 7.463 0.002 . 1 . . . A 62 PHE HZ . 17707 1 628 . 1 1 96 96 PHE CA C 13 54.566 0.003 . 1 . . . A 62 PHE CA . 17707 1 629 . 1 1 96 96 PHE CB C 13 39.886 0.022 . 1 . . . A 62 PHE CB . 17707 1 630 . 1 1 96 96 PHE CD1 C 13 131.753 0.022 . 3 . . . A 62 PHE CD1 . 17707 1 631 . 1 1 96 96 PHE CE1 C 13 131.279 0.000 . 3 . . . A 62 PHE CE1 . 17707 1 632 . 1 1 96 96 PHE CZ C 13 129.885 0.000 . 1 . . . A 62 PHE CZ . 17707 1 633 . 1 1 96 96 PHE N N 15 121.921 0.012 . 1 . . . A 62 PHE N . 17707 1 634 . 1 1 97 97 HIS H H 1 7.982 0.000 . 1 . . . A 63 HIS H . 17707 1 635 . 1 1 97 97 HIS HA H 1 4.338 0.007 . 1 . . . A 63 HIS HA . 17707 1 636 . 1 1 97 97 HIS HB2 H 1 3.149 0.003 . 2 . . . A 63 HIS HB2 . 17707 1 637 . 1 1 97 97 HIS HB3 H 1 3.309 0.010 . 2 . . . A 63 HIS HB3 . 17707 1 638 . 1 1 97 97 HIS HD2 H 1 6.815 0.001 . 1 . . . A 63 HIS HD2 . 17707 1 639 . 1 1 97 97 HIS HE1 H 1 8.079 0.000 . 1 . . . A 63 HIS HE1 . 17707 1 640 . 1 1 97 97 HIS CA C 13 57.261 0.022 . 1 . . . A 63 HIS CA . 17707 1 641 . 1 1 97 97 HIS CB C 13 27.288 0.022 . 1 . . . A 63 HIS CB . 17707 1 642 . 1 1 97 97 HIS CD2 C 13 120.406 0.019 . 1 . . . A 63 HIS CD2 . 17707 1 643 . 1 1 97 97 HIS CE1 C 13 138.613 0.026 . 1 . . . A 63 HIS CE1 . 17707 1 644 . 1 1 97 97 HIS N N 15 120.064 0.007 . 1 . . . A 63 HIS N . 17707 1 645 . 1 1 98 98 ASP H H 1 9.096 0.001 . 1 . . . A 64 ASP H . 17707 1 646 . 1 1 98 98 ASP HA H 1 5.059 0.004 . 1 . . . A 64 ASP HA . 17707 1 647 . 1 1 98 98 ASP HB2 H 1 2.595 0.003 . 2 . . . A 64 ASP HB2 . 17707 1 648 . 1 1 98 98 ASP HB3 H 1 2.881 0.003 . 2 . . . A 64 ASP HB3 . 17707 1 649 . 1 1 98 98 ASP CA C 13 50.195 0.021 . 1 . . . A 64 ASP CA . 17707 1 650 . 1 1 98 98 ASP CB C 13 41.098 0.020 . 1 . . . A 64 ASP CB . 17707 1 651 . 1 1 98 98 ASP N N 15 119.665 0.004 . 1 . . . A 64 ASP N . 17707 1 652 . 1 1 99 99 LYS H H 1 8.784 0.001 . 1 . . . A 65 LYS H . 17707 1 653 . 1 1 99 99 LYS HA H 1 3.845 0.005 . 1 . . . A 65 LYS HA . 17707 1 654 . 1 1 99 99 LYS HB2 H 1 1.784 0.003 . 2 . . . A 65 LYS HB2 . 17707 1 655 . 1 1 99 99 LYS HB3 H 1 1.940 0.002 . 2 . . . A 65 LYS HB3 . 17707 1 656 . 1 1 99 99 LYS HG2 H 1 1.340 0.000 . 2 . . . A 65 LYS HG2 . 17707 1 657 . 1 1 99 99 LYS HG3 H 1 1.419 0.002 . 2 . . . A 65 LYS HG3 . 17707 1 658 . 1 1 99 99 LYS HD2 H 1 1.686 0.000 . 2 . . . A 65 LYS HD2 . 17707 1 659 . 1 1 99 99 LYS HD3 H 1 1.686 0.000 . 2 . . . A 65 LYS HD3 . 17707 1 660 . 1 1 99 99 LYS HE2 H 1 2.954 0.007 . 2 . . . A 65 LYS HE2 . 17707 1 661 . 1 1 99 99 LYS HE3 H 1 2.954 0.007 . 2 . . . A 65 LYS HE3 . 17707 1 662 . 1 1 99 99 LYS CA C 13 57.396 0.011 . 1 . . . A 65 LYS CA . 17707 1 663 . 1 1 99 99 LYS CB C 13 30.246 0.018 . 1 . . . A 65 LYS CB . 17707 1 664 . 1 1 99 99 LYS CG C 13 21.911 0.000 . 1 . . . A 65 LYS CG . 17707 1 665 . 1 1 99 99 LYS CE C 13 39.391 0.007 . 1 . . . A 65 LYS CE . 17707 1 666 . 1 1 99 99 LYS N N 15 127.804 0.008 . 1 . . . A 65 LYS N . 17707 1 667 . 1 1 100 100 ARG H H 1 8.600 0.004 . 1 . . . A 66 ARG H . 17707 1 668 . 1 1 100 100 ARG HA H 1 4.070 0.001 . 1 . . . A 66 ARG HA . 17707 1 669 . 1 1 100 100 ARG HB2 H 1 1.831 0.005 . 2 . . . A 66 ARG HB2 . 17707 1 670 . 1 1 100 100 ARG HB3 H 1 1.831 0.005 . 2 . . . A 66 ARG HB3 . 17707 1 671 . 1 1 100 100 ARG HG2 H 1 1.714 0.003 . 2 . . . A 66 ARG HG2 . 17707 1 672 . 1 1 100 100 ARG HG3 H 1 1.714 0.003 . 2 . . . A 66 ARG HG3 . 17707 1 673 . 1 1 100 100 ARG HD2 H 1 3.212 0.007 . 2 . . . A 66 ARG HD2 . 17707 1 674 . 1 1 100 100 ARG HD3 H 1 3.212 0.007 . 2 . . . A 66 ARG HD3 . 17707 1 675 . 1 1 100 100 ARG HE H 1 7.474 0.000 . 1 . . . A 66 ARG HE . 17707 1 676 . 1 1 100 100 ARG CA C 13 56.139 0.025 . 1 . . . A 66 ARG CA . 17707 1 677 . 1 1 100 100 ARG CB C 13 26.766 0.014 . 1 . . . A 66 ARG CB . 17707 1 678 . 1 1 100 100 ARG CG C 13 24.235 0.009 . 1 . . . A 66 ARG CG . 17707 1 679 . 1 1 100 100 ARG CD C 13 40.649 0.000 . 1 . . . A 66 ARG CD . 17707 1 680 . 1 1 100 100 ARG N N 15 118.451 0.004 . 1 . . . A 66 ARG N . 17707 1 681 . 1 1 100 100 ARG NE N 15 85.570 0.000 . 1 . . . A 66 ARG NE . 17707 1 682 . 1 1 101 101 ASP H H 1 7.089 0.009 . 1 . . . A 67 ASP H . 17707 1 683 . 1 1 101 101 ASP HA H 1 4.194 0.002 . 1 . . . A 67 ASP HA . 17707 1 684 . 1 1 101 101 ASP HB2 H 1 2.623 0.005 . 2 . . . A 67 ASP HB2 . 17707 1 685 . 1 1 101 101 ASP HB3 H 1 2.926 0.007 . 2 . . . A 67 ASP HB3 . 17707 1 686 . 1 1 101 101 ASP CA C 13 54.233 0.005 . 1 . . . A 67 ASP CA . 17707 1 687 . 1 1 101 101 ASP CB C 13 37.996 0.009 . 1 . . . A 67 ASP CB . 17707 1 688 . 1 1 101 101 ASP N N 15 119.627 0.004 . 1 . . . A 67 ASP N . 17707 1 689 . 1 1 102 102 ALA H H 1 6.832 0.000 . 1 . . . A 68 ALA H . 17707 1 690 . 1 1 102 102 ALA HA H 1 2.964 0.007 . 1 . . . A 68 ALA HA . 17707 1 691 . 1 1 102 102 ALA HB1 H 1 1.307 0.004 . 2 . . . A 68 ALA HB1 . 17707 1 692 . 1 1 102 102 ALA HB2 H 1 1.307 0.004 . 2 . . . A 68 ALA HB2 . 17707 1 693 . 1 1 102 102 ALA HB3 H 1 1.307 0.004 . 2 . . . A 68 ALA HB3 . 17707 1 694 . 1 1 102 102 ALA CA C 13 51.703 0.005 . 1 . . . A 68 ALA CA . 17707 1 695 . 1 1 102 102 ALA CB C 13 15.668 0.007 . 1 . . . A 68 ALA CB . 17707 1 696 . 1 1 102 102 ALA N N 15 119.421 0.007 . 1 . . . A 68 ALA N . 17707 1 697 . 1 1 103 103 GLU H H 1 8.011 0.005 . 1 . . . A 69 GLU H . 17707 1 698 . 1 1 103 103 GLU HA H 1 3.658 0.005 . 1 . . . A 69 GLU HA . 17707 1 699 . 1 1 103 103 GLU HB2 H 1 1.931 0.002 . 2 . . . A 69 GLU HB2 . 17707 1 700 . 1 1 103 103 GLU HB3 H 1 1.931 0.002 . 2 . . . A 69 GLU HB3 . 17707 1 701 . 1 1 103 103 GLU HG2 H 1 2.087 0.000 . 2 . . . A 69 GLU HG2 . 17707 1 702 . 1 1 103 103 GLU HG3 H 1 2.414 0.002 . 2 . . . A 69 GLU HG3 . 17707 1 703 . 1 1 103 103 GLU CA C 13 57.162 0.000 . 1 . . . A 69 GLU CA . 17707 1 704 . 1 1 103 103 GLU CB C 13 26.425 0.008 . 1 . . . A 69 GLU CB . 17707 1 705 . 1 1 103 103 GLU CG C 13 34.070 0.006 . 1 . . . A 69 GLU CG . 17707 1 706 . 1 1 103 103 GLU N N 15 117.506 0.005 . 1 . . . A 69 GLU N . 17707 1 707 . 1 1 104 104 ASP H H 1 8.020 0.000 . 1 . . . A 70 ASP H . 17707 1 708 . 1 1 104 104 ASP HA H 1 4.266 0.002 . 1 . . . A 70 ASP HA . 17707 1 709 . 1 1 104 104 ASP HB2 H 1 2.709 0.004 . 2 . . . A 70 ASP HB2 . 17707 1 710 . 1 1 104 104 ASP HB3 H 1 2.973 0.004 . 2 . . . A 70 ASP HB3 . 17707 1 711 . 1 1 104 104 ASP CA C 13 54.488 0.016 . 1 . . . A 70 ASP CA . 17707 1 712 . 1 1 104 104 ASP CB C 13 37.462 0.010 . 1 . . . A 70 ASP CB . 17707 1 713 . 1 1 104 104 ASP N N 15 120.487 0.004 . 1 . . . A 70 ASP N . 17707 1 714 . 1 1 105 105 ALA H H 1 8.118 0.000 . 1 . . . A 71 ALA H . 17707 1 715 . 1 1 105 105 ALA HA H 1 2.775 0.004 . 1 . . . A 71 ALA HA . 17707 1 716 . 1 1 105 105 ALA HB1 H 1 1.261 0.002 . 2 . . . A 71 ALA HB1 . 17707 1 717 . 1 1 105 105 ALA HB2 H 1 1.261 0.002 . 2 . . . A 71 ALA HB2 . 17707 1 718 . 1 1 105 105 ALA HB3 H 1 1.261 0.002 . 2 . . . A 71 ALA HB3 . 17707 1 719 . 1 1 105 105 ALA CA C 13 51.745 0.004 . 1 . . . A 71 ALA CA . 17707 1 720 . 1 1 105 105 ALA CB C 13 17.208 0.005 . 1 . . . A 71 ALA CB . 17707 1 721 . 1 1 105 105 ALA N N 15 122.179 0.001 . 1 . . . A 71 ALA N . 17707 1 722 . 1 1 106 106 MET H H 1 8.279 0.000 . 1 . . . A 72 MET H . 17707 1 723 . 1 1 106 106 MET HA H 1 3.655 0.008 . 1 . . . A 72 MET HA . 17707 1 724 . 1 1 106 106 MET HB2 H 1 1.899 0.008 . 2 . . . A 72 MET HB2 . 17707 1 725 . 1 1 106 106 MET HB3 H 1 2.247 0.002 . 2 . . . A 72 MET HB3 . 17707 1 726 . 1 1 106 106 MET HG2 H 1 2.365 0.003 . 2 . . . A 72 MET HG2 . 17707 1 727 . 1 1 106 106 MET HG3 H 1 2.365 0.003 . 2 . . . A 72 MET HG3 . 17707 1 728 . 1 1 106 106 MET HE1 H 1 2.115 0.005 . 2 . . . A 72 MET HE1 . 17707 1 729 . 1 1 106 106 MET HE2 H 1 2.115 0.005 . 2 . . . A 72 MET HE2 . 17707 1 730 . 1 1 106 106 MET HE3 H 1 2.115 0.005 . 2 . . . A 72 MET HE3 . 17707 1 731 . 1 1 106 106 MET CA C 13 57.188 0.001 . 1 . . . A 72 MET CA . 17707 1 732 . 1 1 106 106 MET CB C 13 30.409 0.012 . 1 . . . A 72 MET CB . 17707 1 733 . 1 1 106 106 MET CG C 13 28.301 0.000 . 1 . . . A 72 MET CG . 17707 1 734 . 1 1 106 106 MET CE C 13 14.627 0.000 . 1 . . . A 72 MET CE . 17707 1 735 . 1 1 106 106 MET N N 15 118.380 0.002 . 1 . . . A 72 MET N . 17707 1 736 . 1 1 107 107 ASP H H 1 7.749 0.005 . 1 . . . A 73 ASP H . 17707 1 737 . 1 1 107 107 ASP HA H 1 4.327 0.004 . 1 . . . A 73 ASP HA . 17707 1 738 . 1 1 107 107 ASP HB2 H 1 2.632 0.002 . 2 . . . A 73 ASP HB2 . 17707 1 739 . 1 1 107 107 ASP HB3 H 1 2.731 0.002 . 2 . . . A 73 ASP HB3 . 17707 1 740 . 1 1 107 107 ASP CA C 13 54.059 0.015 . 1 . . . A 73 ASP CA . 17707 1 741 . 1 1 107 107 ASP CB C 13 38.093 0.028 . 1 . . . A 73 ASP CB . 17707 1 742 . 1 1 107 107 ASP N N 15 117.030 0.002 . 1 . . . A 73 ASP N . 17707 1 743 . 1 1 108 108 ALA H H 1 7.347 0.004 . 1 . . . A 74 ALA H . 17707 1 744 . 1 1 108 108 ALA HA H 1 4.124 0.005 . 1 . . . A 74 ALA HA . 17707 1 745 . 1 1 108 108 ALA HB1 H 1 1.080 0.004 . 2 . . . A 74 ALA HB1 . 17707 1 746 . 1 1 108 108 ALA HB2 H 1 1.080 0.004 . 2 . . . A 74 ALA HB2 . 17707 1 747 . 1 1 108 108 ALA HB3 H 1 1.080 0.004 . 2 . . . A 74 ALA HB3 . 17707 1 748 . 1 1 108 108 ALA CA C 13 51.334 0.007 . 1 . . . A 74 ALA CA . 17707 1 749 . 1 1 108 108 ALA CB C 13 17.659 0.009 . 1 . . . A 74 ALA CB . 17707 1 750 . 1 1 108 108 ALA N N 15 117.995 0.000 . 1 . . . A 74 ALA N . 17707 1 751 . 1 1 109 109 MET H H 1 8.057 0.001 . 1 . . . A 75 MET H . 17707 1 752 . 1 1 109 109 MET HA H 1 4.742 0.003 . 1 . . . A 75 MET HA . 17707 1 753 . 1 1 109 109 MET HB2 H 1 1.935 0.002 . 2 . . . A 75 MET HB2 . 17707 1 754 . 1 1 109 109 MET HB3 H 1 1.935 0.002 . 2 . . . A 75 MET HB3 . 17707 1 755 . 1 1 109 109 MET HG2 H 1 1.677 0.000 . 2 . . . A 75 MET HG2 . 17707 1 756 . 1 1 109 109 MET HG3 H 1 1.771 0.000 . 2 . . . A 75 MET HG3 . 17707 1 757 . 1 1 109 109 MET HE1 H 1 1.493 0.007 . 2 . . . A 75 MET HE1 . 17707 1 758 . 1 1 109 109 MET HE2 H 1 1.493 0.007 . 2 . . . A 75 MET HE2 . 17707 1 759 . 1 1 109 109 MET HE3 H 1 1.493 0.007 . 2 . . . A 75 MET HE3 . 17707 1 760 . 1 1 109 109 MET CA C 13 50.546 0.015 . 1 . . . A 75 MET CA . 17707 1 761 . 1 1 109 109 MET CE C 13 12.561 0.014 . 1 . . . A 75 MET CE . 17707 1 762 . 1 1 109 109 MET N N 15 112.202 0.007 . 1 . . . A 75 MET N . 17707 1 763 . 1 1 110 110 ASP H H 1 7.825 0.001 . 1 . . . A 76 ASP H . 17707 1 764 . 1 1 110 110 ASP HA H 1 4.386 0.000 . 1 . . . A 76 ASP HA . 17707 1 765 . 1 1 110 110 ASP HB2 H 1 2.773 0.003 . 2 . . . A 76 ASP HB2 . 17707 1 766 . 1 1 110 110 ASP HB3 H 1 3.032 0.001 . 2 . . . A 76 ASP HB3 . 17707 1 767 . 1 1 110 110 ASP CA C 13 54.945 0.000 . 1 . . . A 76 ASP CA . 17707 1 768 . 1 1 110 110 ASP CB C 13 38.604 0.023 . 1 . . . A 76 ASP CB . 17707 1 769 . 1 1 110 110 ASP N N 15 120.043 0.003 . 1 . . . A 76 ASP N . 17707 1 770 . 1 1 111 111 GLY H H 1 8.636 0.001 . 1 . . . A 77 GLY H . 17707 1 771 . 1 1 111 111 GLY HA2 H 1 3.682 0.004 . 2 . . . A 77 GLY HA2 . 17707 1 772 . 1 1 111 111 GLY HA3 H 1 4.243 0.004 . 2 . . . A 77 GLY HA3 . 17707 1 773 . 1 1 111 111 GLY CA C 13 43.016 0.021 . 1 . . . A 77 GLY CA . 17707 1 774 . 1 1 111 111 GLY N N 15 117.743 0.001 . 1 . . . A 77 GLY N . 17707 1 775 . 1 1 112 112 ALA H H 1 7.909 0.005 . 1 . . . A 78 ALA H . 17707 1 776 . 1 1 112 112 ALA HA H 1 4.319 0.004 . 1 . . . A 78 ALA HA . 17707 1 777 . 1 1 112 112 ALA HB1 H 1 1.448 0.002 . 2 . . . A 78 ALA HB1 . 17707 1 778 . 1 1 112 112 ALA HB2 H 1 1.448 0.002 . 2 . . . A 78 ALA HB2 . 17707 1 779 . 1 1 112 112 ALA HB3 H 1 1.448 0.002 . 2 . . . A 78 ALA HB3 . 17707 1 780 . 1 1 112 112 ALA CA C 13 49.036 0.000 . 1 . . . A 78 ALA CA . 17707 1 781 . 1 1 112 112 ALA CB C 13 17.448 0.008 . 1 . . . A 78 ALA CB . 17707 1 782 . 1 1 112 112 ALA N N 15 123.755 0.001 . 1 . . . A 78 ALA N . 17707 1 783 . 1 1 113 113 VAL H H 1 8.083 0.003 . 1 . . . A 79 VAL H . 17707 1 784 . 1 1 113 113 VAL HA H 1 4.613 0.000 . 1 . . . A 79 VAL HA . 17707 1 785 . 1 1 113 113 VAL HB H 1 1.788 0.004 . 1 . . . A 79 VAL HB . 17707 1 786 . 1 1 113 113 VAL HG11 H 1 0.662 0.002 . 2 . . . A 79 VAL HG11 . 17707 1 787 . 1 1 113 113 VAL HG12 H 1 0.662 0.002 . 2 . . . A 79 VAL HG12 . 17707 1 788 . 1 1 113 113 VAL HG13 H 1 0.662 0.002 . 2 . . . A 79 VAL HG13 . 17707 1 789 . 1 1 113 113 VAL HG21 H 1 0.837 0.004 . 2 . . . A 79 VAL HG21 . 17707 1 790 . 1 1 113 113 VAL HG22 H 1 0.837 0.004 . 2 . . . A 79 VAL HG22 . 17707 1 791 . 1 1 113 113 VAL HG23 H 1 0.837 0.004 . 2 . . . A 79 VAL HG23 . 17707 1 792 . 1 1 113 113 VAL CB C 13 29.572 0.000 . 1 . . . A 79 VAL CB . 17707 1 793 . 1 1 113 113 VAL CG1 C 13 18.415 0.007 . 2 . . . A 79 VAL CG1 . 17707 1 794 . 1 1 113 113 VAL CG2 C 13 19.166 0.002 . 2 . . . A 79 VAL CG2 . 17707 1 795 . 1 1 113 113 VAL N N 15 118.703 0.001 . 1 . . . A 79 VAL N . 17707 1 796 . 1 1 114 114 LEU H H 1 8.895 0.000 . 1 . . . A 80 LEU H . 17707 1 797 . 1 1 114 114 LEU HA H 1 4.543 0.007 . 1 . . . A 80 LEU HA . 17707 1 798 . 1 1 114 114 LEU HB2 H 1 1.183 0.006 . 2 . . . A 80 LEU HB2 . 17707 1 799 . 1 1 114 114 LEU HB3 H 1 1.802 0.007 . 2 . . . A 80 LEU HB3 . 17707 1 800 . 1 1 114 114 LEU HG H 1 1.430 0.005 . 1 . . . A 80 LEU HG . 17707 1 801 . 1 1 114 114 LEU HD11 H 1 0.821 0.002 . 2 . . . A 80 LEU HD11 . 17707 1 802 . 1 1 114 114 LEU HD12 H 1 0.821 0.002 . 2 . . . A 80 LEU HD12 . 17707 1 803 . 1 1 114 114 LEU HD13 H 1 0.821 0.002 . 2 . . . A 80 LEU HD13 . 17707 1 804 . 1 1 114 114 LEU HD21 H 1 0.903 0.003 . 2 . . . A 80 LEU HD21 . 17707 1 805 . 1 1 114 114 LEU HD22 H 1 0.903 0.003 . 2 . . . A 80 LEU HD22 . 17707 1 806 . 1 1 114 114 LEU HD23 H 1 0.903 0.003 . 2 . . . A 80 LEU HD23 . 17707 1 807 . 1 1 114 114 LEU CA C 13 51.942 0.000 . 1 . . . A 80 LEU CA . 17707 1 808 . 1 1 114 114 LEU CB C 13 42.585 0.027 . 1 . . . A 80 LEU CB . 17707 1 809 . 1 1 114 114 LEU CG C 13 25.134 0.000 . 1 . . . A 80 LEU CG . 17707 1 810 . 1 1 114 114 LEU CD1 C 13 23.794 0.020 . 2 . . . A 80 LEU CD1 . 17707 1 811 . 1 1 114 114 LEU CD2 C 13 21.578 0.020 . 2 . . . A 80 LEU CD2 . 17707 1 812 . 1 1 114 114 LEU N N 15 129.473 0.004 . 1 . . . A 80 LEU N . 17707 1 813 . 1 1 115 115 ASP H H 1 9.428 0.002 . 1 . . . A 81 ASP H . 17707 1 814 . 1 1 115 115 ASP HA H 1 4.229 0.002 . 1 . . . A 81 ASP HA . 17707 1 815 . 1 1 115 115 ASP HB2 H 1 2.221 0.004 . 2 . . . A 81 ASP HB2 . 17707 1 816 . 1 1 115 115 ASP HB3 H 1 3.087 0.003 . 2 . . . A 81 ASP HB3 . 17707 1 817 . 1 1 115 115 ASP CA C 13 52.252 0.013 . 1 . . . A 81 ASP CA . 17707 1 818 . 1 1 115 115 ASP CB C 13 37.272 0.021 . 1 . . . A 81 ASP CB . 17707 1 819 . 1 1 115 115 ASP N N 15 129.660 0.006 . 1 . . . A 81 ASP N . 17707 1 820 . 1 1 116 116 GLY H H 1 7.978 0.005 . 1 . . . A 82 GLY H . 17707 1 821 . 1 1 116 116 GLY HA2 H 1 3.466 0.003 . 2 . . . A 82 GLY HA2 . 17707 1 822 . 1 1 116 116 GLY HA3 H 1 4.019 0.003 . 2 . . . A 82 GLY HA3 . 17707 1 823 . 1 1 116 116 GLY CA C 13 42.881 0.022 . 1 . . . A 82 GLY CA . 17707 1 824 . 1 1 116 116 GLY N N 15 100.557 0.003 . 1 . . . A 82 GLY N . 17707 1 825 . 1 1 117 117 ARG H H 1 7.493 0.004 . 1 . . . A 83 ARG H . 17707 1 826 . 1 1 117 117 ARG HA H 1 4.550 0.002 . 1 . . . A 83 ARG HA . 17707 1 827 . 1 1 117 117 ARG HB2 H 1 1.802 0.003 . 2 . . . A 83 ARG HB2 . 17707 1 828 . 1 1 117 117 ARG HB3 H 1 1.877 0.001 . 2 . . . A 83 ARG HB3 . 17707 1 829 . 1 1 117 117 ARG HG2 H 1 1.430 0.002 . 2 . . . A 83 ARG HG2 . 17707 1 830 . 1 1 117 117 ARG HG3 H 1 1.430 0.002 . 2 . . . A 83 ARG HG3 . 17707 1 831 . 1 1 117 117 ARG HD2 H 1 3.004 0.002 . 2 . . . A 83 ARG HD2 . 17707 1 832 . 1 1 117 117 ARG HD3 H 1 3.004 0.002 . 2 . . . A 83 ARG HD3 . 17707 1 833 . 1 1 117 117 ARG HE H 1 6.914 0.000 . 1 . . . A 83 ARG HE . 17707 1 834 . 1 1 117 117 ARG CA C 13 51.106 0.018 . 1 . . . A 83 ARG CA . 17707 1 835 . 1 1 117 117 ARG CB C 13 30.645 0.002 . 1 . . . A 83 ARG CB . 17707 1 836 . 1 1 117 117 ARG CG C 13 24.266 0.000 . 1 . . . A 83 ARG CG . 17707 1 837 . 1 1 117 117 ARG CD C 13 40.353 0.013 . 1 . . . A 83 ARG CD . 17707 1 838 . 1 1 117 117 ARG N N 15 120.104 0.003 . 1 . . . A 83 ARG N . 17707 1 839 . 1 1 117 117 ARG NE N 15 84.608 0.000 . 1 . . . A 83 ARG NE . 17707 1 840 . 1 1 118 118 GLU H H 1 8.352 0.015 . 1 . . . A 84 GLU H . 17707 1 841 . 1 1 118 118 GLU HA H 1 4.303 0.002 . 1 . . . A 84 GLU HA . 17707 1 842 . 1 1 118 118 GLU HB2 H 1 1.783 0.005 . 2 . . . A 84 GLU HB2 . 17707 1 843 . 1 1 118 118 GLU HB3 H 1 1.867 0.003 . 2 . . . A 84 GLU HB3 . 17707 1 844 . 1 1 118 118 GLU HG2 H 1 2.061 0.001 . 2 . . . A 84 GLU HG2 . 17707 1 845 . 1 1 118 118 GLU HG3 H 1 2.138 0.001 . 2 . . . A 84 GLU HG3 . 17707 1 846 . 1 1 118 118 GLU CA C 13 53.429 0.000 . 1 . . . A 84 GLU CA . 17707 1 847 . 1 1 118 118 GLU CB C 13 27.126 0.018 . 1 . . . A 84 GLU CB . 17707 1 848 . 1 1 118 118 GLU CG C 13 33.689 0.000 . 1 . . . A 84 GLU CG . 17707 1 849 . 1 1 118 118 GLU N N 15 121.206 0.005 . 1 . . . A 84 GLU N . 17707 1 850 . 1 1 119 119 LEU H H 1 9.349 0.001 . 1 . . . A 85 LEU H . 17707 1 851 . 1 1 119 119 LEU HA H 1 4.562 0.000 . 1 . . . A 85 LEU HA . 17707 1 852 . 1 1 119 119 LEU HB2 H 1 1.232 0.002 . 2 . . . A 85 LEU HB2 . 17707 1 853 . 1 1 119 119 LEU HB3 H 1 2.137 0.006 . 2 . . . A 85 LEU HB3 . 17707 1 854 . 1 1 119 119 LEU HG H 1 1.896 0.000 . 1 . . . A 85 LEU HG . 17707 1 855 . 1 1 119 119 LEU HD11 H 1 0.738 0.003 . 2 . . . A 85 LEU HD11 . 17707 1 856 . 1 1 119 119 LEU HD12 H 1 0.738 0.003 . 2 . . . A 85 LEU HD12 . 17707 1 857 . 1 1 119 119 LEU HD13 H 1 0.738 0.003 . 2 . . . A 85 LEU HD13 . 17707 1 858 . 1 1 119 119 LEU HD21 H 1 0.754 0.003 . 2 . . . A 85 LEU HD21 . 17707 1 859 . 1 1 119 119 LEU HD22 H 1 0.754 0.003 . 2 . . . A 85 LEU HD22 . 17707 1 860 . 1 1 119 119 LEU HD23 H 1 0.754 0.003 . 2 . . . A 85 LEU HD23 . 17707 1 861 . 1 1 119 119 LEU CA C 13 52.523 0.000 . 1 . . . A 85 LEU CA . 17707 1 862 . 1 1 119 119 LEU CB C 13 40.811 0.000 . 1 . . . A 85 LEU CB . 17707 1 863 . 1 1 119 119 LEU CD1 C 13 19.948 0.010 . 2 . . . A 85 LEU CD1 . 17707 1 864 . 1 1 119 119 LEU CD2 C 13 22.730 0.016 . 2 . . . A 85 LEU CD2 . 17707 1 865 . 1 1 119 119 LEU N N 15 127.970 0.002 . 1 . . . A 85 LEU N . 17707 1 866 . 1 1 120 120 ARG H H 1 7.512 0.006 . 1 . . . A 86 ARG H . 17707 1 867 . 1 1 120 120 ARG HA H 1 5.174 0.005 . 1 . . . A 86 ARG HA . 17707 1 868 . 1 1 120 120 ARG HB2 H 1 1.690 0.009 . 2 . . . A 86 ARG HB2 . 17707 1 869 . 1 1 120 120 ARG HB3 H 1 1.851 0.005 . 2 . . . A 86 ARG HB3 . 17707 1 870 . 1 1 120 120 ARG HG2 H 1 1.583 0.000 . 2 . . . A 86 ARG HG2 . 17707 1 871 . 1 1 120 120 ARG HG3 H 1 1.652 0.006 . 2 . . . A 86 ARG HG3 . 17707 1 872 . 1 1 120 120 ARG HD2 H 1 3.248 0.003 . 2 . . . A 86 ARG HD2 . 17707 1 873 . 1 1 120 120 ARG HD3 H 1 3.248 0.003 . 2 . . . A 86 ARG HD3 . 17707 1 874 . 1 1 120 120 ARG HE H 1 7.652 0.001 . 1 . . . A 86 ARG HE . 17707 1 875 . 1 1 120 120 ARG CA C 13 51.595 0.014 . 1 . . . A 86 ARG CA . 17707 1 876 . 1 1 120 120 ARG CB C 13 29.692 0.015 . 1 . . . A 86 ARG CB . 17707 1 877 . 1 1 120 120 ARG CG C 13 24.226 0.015 . 1 . . . A 86 ARG CG . 17707 1 878 . 1 1 120 120 ARG CD C 13 40.581 0.012 . 1 . . . A 86 ARG CD . 17707 1 879 . 1 1 120 120 ARG N N 15 121.001 0.008 . 1 . . . A 86 ARG N . 17707 1 880 . 1 1 120 120 ARG NE N 15 85.083 0.004 . 1 . . . A 86 ARG NE . 17707 1 881 . 1 1 121 121 VAL H H 1 9.437 0.007 . 1 . . . A 87 VAL H . 17707 1 882 . 1 1 121 121 VAL HA H 1 4.938 0.007 . 1 . . . A 87 VAL HA . 17707 1 883 . 1 1 121 121 VAL HB H 1 1.938 0.002 . 1 . . . A 87 VAL HB . 17707 1 884 . 1 1 121 121 VAL HG11 H 1 1.022 0.002 . 2 . . . A 87 VAL HG11 . 17707 1 885 . 1 1 121 121 VAL HG12 H 1 1.022 0.002 . 2 . . . A 87 VAL HG12 . 17707 1 886 . 1 1 121 121 VAL HG13 H 1 1.022 0.002 . 2 . . . A 87 VAL HG13 . 17707 1 887 . 1 1 121 121 VAL HG21 H 1 0.964 0.004 . 2 . . . A 87 VAL HG21 . 17707 1 888 . 1 1 121 121 VAL HG22 H 1 0.964 0.004 . 2 . . . A 87 VAL HG22 . 17707 1 889 . 1 1 121 121 VAL HG23 H 1 0.964 0.004 . 2 . . . A 87 VAL HG23 . 17707 1 890 . 1 1 121 121 VAL CA C 13 58.766 0.014 . 1 . . . A 87 VAL CA . 17707 1 891 . 1 1 121 121 VAL CG1 C 13 19.699 0.022 . 2 . . . A 87 VAL CG1 . 17707 1 892 . 1 1 121 121 VAL CG2 C 13 22.001 0.022 . 2 . . . A 87 VAL CG2 . 17707 1 893 . 1 1 121 121 VAL N N 15 125.999 0.013 . 1 . . . A 87 VAL N . 17707 1 894 . 1 1 122 122 GLN H H 1 8.301 0.005 . 1 . . . A 88 GLN H . 17707 1 895 . 1 1 122 122 GLN HA H 1 4.969 0.009 . 1 . . . A 88 GLN HA . 17707 1 896 . 1 1 122 122 GLN HB2 H 1 1.988 0.002 . 2 . . . A 88 GLN HB2 . 17707 1 897 . 1 1 122 122 GLN HB3 H 1 2.091 0.001 . 2 . . . A 88 GLN HB3 . 17707 1 898 . 1 1 122 122 GLN HG2 H 1 2.093 0.003 . 2 . . . A 88 GLN HG2 . 17707 1 899 . 1 1 122 122 GLN HG3 H 1 2.281 0.002 . 2 . . . A 88 GLN HG3 . 17707 1 900 . 1 1 122 122 GLN HE21 H 1 7.376 0.000 . 2 . . . A 88 GLN HE21 . 17707 1 901 . 1 1 122 122 GLN HE22 H 1 6.809 0.000 . 2 . . . A 88 GLN HE22 . 17707 1 902 . 1 1 122 122 GLN CA C 13 50.899 0.016 . 1 . . . A 88 GLN CA . 17707 1 903 . 1 1 122 122 GLN CB C 13 31.157 0.009 . 1 . . . A 88 GLN CB . 17707 1 904 . 1 1 122 122 GLN CG C 13 30.526 0.018 . 1 . . . A 88 GLN CG . 17707 1 905 . 1 1 122 122 GLN N N 15 121.684 0.005 . 1 . . . A 88 GLN N . 17707 1 906 . 1 1 122 122 GLN NE2 N 15 112.425 0.010 . 1 . . . A 88 GLN NE2 . 17707 1 907 . 1 1 123 123 MET H H 1 8.714 0.002 . 1 . . . A 89 MET H . 17707 1 908 . 1 1 123 123 MET HA H 1 4.529 0.002 . 1 . . . A 89 MET HA . 17707 1 909 . 1 1 123 123 MET HB2 H 1 1.878 0.007 . 2 . . . A 89 MET HB2 . 17707 1 910 . 1 1 123 123 MET HB3 H 1 2.013 0.000 . 2 . . . A 89 MET HB3 . 17707 1 911 . 1 1 123 123 MET HG2 H 1 2.539 0.004 . 2 . . . A 89 MET HG2 . 17707 1 912 . 1 1 123 123 MET HG3 H 1 2.743 0.007 . 2 . . . A 89 MET HG3 . 17707 1 913 . 1 1 123 123 MET HE1 H 1 1.927 0.010 . 2 . . . A 89 MET HE1 . 17707 1 914 . 1 1 123 123 MET HE2 H 1 1.927 0.010 . 2 . . . A 89 MET HE2 . 17707 1 915 . 1 1 123 123 MET HE3 H 1 1.927 0.010 . 2 . . . A 89 MET HE3 . 17707 1 916 . 1 1 123 123 MET CA C 13 53.328 0.018 . 1 . . . A 89 MET CA . 17707 1 917 . 1 1 123 123 MET CB C 13 28.750 0.006 . 1 . . . A 89 MET CB . 17707 1 918 . 1 1 123 123 MET CG C 13 29.885 0.033 . 1 . . . A 89 MET CG . 17707 1 919 . 1 1 123 123 MET CE C 13 14.674 0.014 . 1 . . . A 89 MET CE . 17707 1 920 . 1 1 123 123 MET N N 15 121.937 0.002 . 1 . . . A 89 MET N . 17707 1 921 . 1 1 124 124 ALA H H 1 8.437 0.004 . 1 . . . A 90 ALA H . 17707 1 922 . 1 1 124 124 ALA HA H 1 4.417 0.004 . 1 . . . A 90 ALA HA . 17707 1 923 . 1 1 124 124 ALA HB1 H 1 1.411 0.005 . 2 . . . A 90 ALA HB1 . 17707 1 924 . 1 1 124 124 ALA HB2 H 1 1.411 0.005 . 2 . . . A 90 ALA HB2 . 17707 1 925 . 1 1 124 124 ALA HB3 H 1 1.411 0.005 . 2 . . . A 90 ALA HB3 . 17707 1 926 . 1 1 124 124 ALA CA C 13 49.803 0.019 . 1 . . . A 90 ALA CA . 17707 1 927 . 1 1 124 124 ALA CB C 13 15.252 0.021 . 1 . . . A 90 ALA CB . 17707 1 928 . 1 1 124 124 ALA N N 15 126.984 0.013 . 1 . . . A 90 ALA N . 17707 1 929 . 1 1 125 125 ARG H H 1 9.886 0.010 . 1 . . . A 91 ARG H . 17707 1 930 . 1 1 126 126 TYR HB2 H 1 3.038 0.000 . 2 . . . A 92 TYR HB2 . 17707 1 931 . 1 1 126 126 TYR HB3 H 1 3.038 0.000 . 2 . . . A 92 TYR HB3 . 17707 1 932 . 1 1 126 126 TYR HD1 H 1 6.367 0.017 . 3 . . . A 92 TYR HD1 . 17707 1 933 . 1 1 126 126 TYR HD2 H 1 6.367 0.017 . 3 . . . A 92 TYR HD2 . 17707 1 934 . 1 1 126 126 TYR HE1 H 1 6.518 0.004 . 3 . . . A 92 TYR HE1 . 17707 1 935 . 1 1 126 126 TYR HE2 H 1 6.518 0.004 . 3 . . . A 92 TYR HE2 . 17707 1 936 . 1 1 126 126 TYR CD1 C 13 132.785 0.000 . 3 . . . A 92 TYR CD1 . 17707 1 937 . 1 1 126 126 TYR CE1 C 13 117.698 0.022 . 3 . . . A 92 TYR CE1 . 17707 1 938 . 1 1 127 127 GLY HA2 H 1 3.806 0.003 . 2 . . . A 93 GLY HA2 . 17707 1 939 . 1 1 127 127 GLY HA3 H 1 4.203 0.007 . 2 . . . A 93 GLY HA3 . 17707 1 940 . 1 1 127 127 GLY CA C 13 41.736 0.027 . 1 . . . A 93 GLY CA . 17707 1 941 . 1 1 128 128 ARG H H 1 8.245 0.006 . 1 . . . A 94 ARG H . 17707 1 942 . 1 1 128 128 ARG N N 15 120.921 0.006 . 1 . . . A 94 ARG N . 17707 1 943 . 1 1 129 129 PRO HA H 1 4.593 0.001 . 1 . . . A 95 PRO HA . 17707 1 944 . 1 1 129 129 PRO HB2 H 1 2.271 0.011 . 2 . . . A 95 PRO HB2 . 17707 1 945 . 1 1 129 129 PRO HB3 H 1 2.271 0.011 . 2 . . . A 95 PRO HB3 . 17707 1 946 . 1 1 129 129 PRO HG2 H 1 2.030 0.007 . 2 . . . A 95 PRO HG2 . 17707 1 947 . 1 1 129 129 PRO HG3 H 1 2.030 0.007 . 2 . . . A 95 PRO HG3 . 17707 1 948 . 1 1 129 129 PRO HD2 H 1 3.448 0.003 . 2 . . . A 95 PRO HD2 . 17707 1 949 . 1 1 129 129 PRO HD3 H 1 3.801 0.004 . 2 . . . A 95 PRO HD3 . 17707 1 950 . 1 1 129 129 PRO CA C 13 58.989 0.000 . 1 . . . A 95 PRO CA . 17707 1 951 . 1 1 129 129 PRO CG C 13 24.735 0.000 . 1 . . . A 95 PRO CG . 17707 1 952 . 1 1 129 129 PRO CD C 13 47.774 0.026 . 1 . . . A 95 PRO CD . 17707 1 953 . 1 1 130 130 PRO HA H 1 4.317 0.006 . 1 . . . A 96 PRO HA . 17707 1 954 . 1 1 130 130 PRO HB2 H 1 2.203 0.005 . 2 . . . A 96 PRO HB2 . 17707 1 955 . 1 1 130 130 PRO HB3 H 1 2.203 0.005 . 2 . . . A 96 PRO HB3 . 17707 1 956 . 1 1 130 130 PRO HG2 H 1 1.936 0.007 . 2 . . . A 96 PRO HG2 . 17707 1 957 . 1 1 130 130 PRO HG3 H 1 1.936 0.007 . 2 . . . A 96 PRO HG3 . 17707 1 958 . 1 1 130 130 PRO HD2 H 1 3.575 0.004 . 2 . . . A 96 PRO HD2 . 17707 1 959 . 1 1 130 130 PRO HD3 H 1 3.699 0.003 . 2 . . . A 96 PRO HD3 . 17707 1 960 . 1 1 130 130 PRO CA C 13 60.395 0.014 . 1 . . . A 96 PRO CA . 17707 1 961 . 1 1 130 130 PRO CB C 13 29.261 0.025 . 1 . . . A 96 PRO CB . 17707 1 962 . 1 1 130 130 PRO CG C 13 24.589 0.000 . 1 . . . A 96 PRO CG . 17707 1 963 . 1 1 130 130 PRO CD C 13 47.764 0.015 . 1 . . . A 96 PRO CD . 17707 1 964 . 1 1 131 131 ASP H H 1 8.196 0.004 . 1 . . . A 97 ASP H . 17707 1 965 . 1 1 131 131 ASP HA H 1 4.492 0.000 . 1 . . . A 97 ASP HA . 17707 1 966 . 1 1 131 131 ASP HB2 H 1 2.574 0.001 . 2 . . . A 97 ASP HB2 . 17707 1 967 . 1 1 131 131 ASP HB3 H 1 2.574 0.001 . 2 . . . A 97 ASP HB3 . 17707 1 968 . 1 1 131 131 ASP CA C 13 51.415 0.005 . 1 . . . A 97 ASP CA . 17707 1 969 . 1 1 131 131 ASP CB C 13 38.553 0.022 . 1 . . . A 97 ASP CB . 17707 1 970 . 1 1 131 131 ASP N N 15 119.855 0.002 . 1 . . . A 97 ASP N . 17707 1 971 . 1 1 132 132 SER H H 1 8.070 0.003 . 1 . . . A 98 SER H . 17707 1 972 . 1 1 132 132 SER HA H 1 4.286 0.002 . 1 . . . A 98 SER HA . 17707 1 973 . 1 1 132 132 SER HB2 H 1 3.716 0.000 . 2 . . . A 98 SER HB2 . 17707 1 974 . 1 1 132 132 SER HB3 H 1 3.778 0.002 . 2 . . . A 98 SER HB3 . 17707 1 975 . 1 1 132 132 SER CA C 13 55.729 0.003 . 1 . . . A 98 SER CA . 17707 1 976 . 1 1 132 132 SER CB C 13 61.088 0.006 . 1 . . . A 98 SER CB . 17707 1 977 . 1 1 132 132 SER N N 15 116.150 0.006 . 1 . . . A 98 SER N . 17707 1 978 . 1 1 133 133 HIS H H 1 8.322 0.001 . 1 . . . A 99 HIS H . 17707 1 979 . 1 1 133 133 HIS HB2 H 1 3.027 0.000 . 2 . . . A 99 HIS HB2 . 17707 1 980 . 1 1 133 133 HIS HB3 H 1 3.103 0.000 . 2 . . . A 99 HIS HB3 . 17707 1 981 . 1 1 133 133 HIS HD2 H 1 7.089 0.001 . 1 . . . A 99 HIS HD2 . 17707 1 982 . 1 1 133 133 HIS HE1 H 1 8.272 0.004 . 1 . . . A 99 HIS HE1 . 17707 1 983 . 1 1 133 133 HIS CB C 13 27.067 0.006 . 1 . . . A 99 HIS CB . 17707 1 984 . 1 1 133 133 HIS CD2 C 13 119.978 0.000 . 1 . . . A 99 HIS CD2 . 17707 1 985 . 1 1 133 133 HIS CE1 C 13 137.251 0.015 . 1 . . . A 99 HIS CE1 . 17707 1 986 . 1 1 133 133 HIS N N 15 119.771 0.007 . 1 . . . A 99 HIS N . 17707 1 987 . 1 1 134 134 HIS HB2 H 1 3.155 0.000 . 2 . . . A 100 HIS HB2 . 17707 1 988 . 1 1 134 134 HIS HB3 H 1 3.155 0.000 . 2 . . . A 100 HIS HB3 . 17707 1 989 . 1 1 134 134 HIS HD2 H 1 7.166 0.000 . 1 . . . A 100 HIS HD2 . 17707 1 990 . 1 1 134 134 HIS CD2 C 13 120.218 0.000 . 1 . . . A 100 HIS CD2 . 17707 1 991 . 1 1 135 135 SER H H 1 8.144 0.006 . 1 . . . A 101 SER H . 17707 1 992 . 1 1 135 135 SER HA H 1 4.261 0.000 . 1 . . . A 101 SER HA . 17707 1 993 . 1 1 135 135 SER HB2 H 1 3.855 0.001 . 2 . . . A 101 SER HB2 . 17707 1 994 . 1 1 135 135 SER HB3 H 1 3.855 0.001 . 2 . . . A 101 SER HB3 . 17707 1 995 . 1 1 135 135 SER CA C 13 57.462 0.004 . 1 . . . A 101 SER CA . 17707 1 996 . 1 1 135 135 SER CB C 13 61.986 0.027 . 1 . . . A 101 SER CB . 17707 1 997 . 1 1 135 135 SER N N 15 123.049 0.002 . 1 . . . A 101 SER N . 17707 1 998 . 2 2 1 1 U H1' H 1 5.884 0.001 . 1 . . . . 102 URA H1' . 17707 1 999 . 2 2 1 1 U H2' H 1 4.462 0.002 . 1 . . . . 102 URA H2' . 17707 1 1000 . 2 2 1 1 U H3' H 1 4.574 0.002 . 1 . . . . 102 URA H3' . 17707 1 1001 . 2 2 1 1 U H4' H 1 4.234 0.004 . 1 . . . . 102 URA H4' . 17707 1 1002 . 2 2 1 1 U H5 H 1 5.885 0.000 . 1 . . . . 102 URA H5 . 17707 1 1003 . 2 2 1 1 U H6 H 1 7.831 0.026 . 1 . . . . 102 URA H6 . 17707 1 1004 . 2 2 1 1 U H5' H 1 3.848 0.004 . 1 . . . . 102 URA Q5' . 17707 1 1005 . 2 2 2 2 G H1' H 1 6.134 0.001 . 1 . . . . 103 GUA H1' . 17707 1 1006 . 2 2 2 2 G H2' H 1 5.510 0.004 . 1 . . . . 103 GUA H2' . 17707 1 1007 . 2 2 2 2 G H3' H 1 4.861 0.002 . 1 . . . . 103 GUA H3' . 17707 1 1008 . 2 2 2 2 G H4' H 1 4.408 0.002 . 1 . . . . 103 GUA H4' . 17707 1 1009 . 2 2 2 2 G H5' H 1 3.471 0.003 . 1 . . . . 103 GUA H5' . 17707 1 1010 . 2 2 2 2 G H5'' H 1 3.083 0.000 . 1 . . . . 103 GUA H5'' . 17707 1 1011 . 2 2 2 2 G H8 H 1 8.224 0.002 . 1 . . . . 103 GUA H8 . 17707 1 1012 . 2 2 3 3 G H1' H 1 6.010 0.008 . 1 . . . . 104 GUA H1' . 17707 1 1013 . 2 2 3 3 G H2' H 1 5.345 0.003 . 1 . . . . 104 GUA H2' . 17707 1 1014 . 2 2 3 3 G H3' H 1 4.453 0.005 . 1 . . . . 104 GUA H3' . 17707 1 1015 . 2 2 3 3 G H4' H 1 4.057 0.007 . 1 . . . . 104 GUA H4' . 17707 1 1016 . 2 2 3 3 G H8 H 1 7.587 0.003 . 1 . . . . 104 GUA H8 . 17707 1 1017 . 2 2 4 4 A H1' H 1 6.147 0.002 . 1 . . . . 105 ADE H1' . 17707 1 1018 . 2 2 4 4 A H2 H 1 8.193 0.000 . 1 . . . . 105 ADE H2 . 17707 1 1019 . 2 2 4 4 A H2' H 1 4.960 0.018 . 1 . . . . 105 ADE H2' . 17707 1 1020 . 2 2 4 4 A H3' H 1 5.000 0.014 . 1 . . . . 105 ADE H3' . 17707 1 1021 . 2 2 4 4 A H4' H 1 4.680 0.002 . 1 . . . . 105 ADE H4' . 17707 1 1022 . 2 2 4 4 A H8 H 1 8.543 0.002 . 1 . . . . 105 ADE H8 . 17707 1 1023 . 2 2 4 4 A H5' H 1 4.389 0.001 . 1 . . . . 105 ADE Q5' . 17707 1 1024 . 2 2 5 5 G H1' H 1 5.911 0.003 . 1 . . . . 106 GUA H1' . 17707 1 1025 . 2 2 5 5 G H2' H 1 4.672 0.005 . 1 . . . . 106 GUA H2' . 17707 1 1026 . 2 2 5 5 G H3' H 1 4.728 0.003 . 1 . . . . 106 GUA H3' . 17707 1 1027 . 2 2 5 5 G H4' H 1 4.409 0.008 . 1 . . . . 106 GUA H4' . 17707 1 1028 . 2 2 5 5 G H8 H 1 7.945 0.006 . 1 . . . . 106 GUA H8 . 17707 1 1029 . 2 2 5 5 G H5' H 1 4.122 0.003 . 1 . . . . 106 GUA Q5' . 17707 1 1030 . 2 2 6 6 U H1' H 1 5.956 0.003 . 1 . . . . 107 URA H1' . 17707 1 1031 . 2 2 6 6 U H3' H 1 4.341 0.000 . 1 . . . . 107 URA H3' . 17707 1 1032 . 2 2 6 6 U H4' H 1 4.271 0.025 . 1 . . . . 107 URA H4' . 17707 1 1033 . 2 2 6 6 U H5 H 1 5.958 0.000 . 1 . . . . 107 URA H5 . 17707 1 1034 . 2 2 6 6 U H6 H 1 7.904 0.003 . 1 . . . . 107 URA H6 . 17707 1 stop_ save_