data_17705 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 17705 _Entry.Title ; na1 ; _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 . . . 17705 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' . 17705 stop_ loop_ _Struct_keywords.Keywords _Struct_keywords.Text _Struct_keywords.Entry_ID 'RNA binding Protein' . 17705 RRM . 17705 'splicing factor' . 17705 'SR protein' . 17705 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 17705 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 264 17705 '15N chemical shifts' 96 17705 '1H chemical shifts' 642 17705 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 update BMRB 'update entry citation' 17705 1 . . 2011-10-26 2011-06-15 original author 'original release' 17705 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 2LEA 'BMRB Entry Tracking System' 17705 stop_ save_ ############### # Citations # ############### save_SRSF2_RRM_citation _Citation.Sf_category citations _Citation.Sf_framecode SRSF2_RRM_citation _Citation.Entry_ID 17705 _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. . 17705 1 2 Antoine Clery . . . 17705 1 3 Sandrine Jayne . . . 17705 1 4 James Stevenin . . . 17705 1 5 'Frederic H-T' Allain . . . 17705 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 17705 _Assembly.ID 1 _Assembly.Name SRSF2_RRM _Assembly.BMRB_code . _Assembly.Number_of_components 1 _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds . _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state . _Assembly.Molecular_mass . _Assembly.Enzyme_commission_number . _Assembly.Details . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Entity_assembly.ID _Entity_assembly.Entity_assembly_name _Entity_assembly.Entity_ID _Entity_assembly.Entity_label _Entity_assembly.Asym_ID _Entity_assembly.PDB_chain_ID _Entity_assembly.Experimental_data_reported _Entity_assembly.Physical_state _Entity_assembly.Conformational_isomer _Entity_assembly.Chemical_exchange_state _Entity_assembly.Magnetic_equivalence_group_code _Entity_assembly.Role _Entity_assembly.Details _Entity_assembly.Entry_ID _Entity_assembly.Assembly_ID 1 SRSF2_RRM 1 $SRSF2_RRM A . yes native no no . . . 17705 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_SRSF2_RRM _Entity.Sf_category entity _Entity.Sf_framecode SRSF2_RRM _Entity.Entry_ID 17705 _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 . . . . 17705 1 2 no BMRB 17706 . SRSF2_RRM . . . . . 100.00 135 100.00 100.00 3.55e-91 . . . . 17705 1 3 no BMRB 17707 . SRSF2_RRM . . . . . 100.00 135 100.00 100.00 3.55e-91 . . . . 17705 1 4 no PDB 2KN4 . "The Structure Of The Rrm Domain Of Sc35" . . . . . 68.89 158 100.00 100.00 2.63e-59 . . . . 17705 1 5 no PDB 2LEA . "Solution Structure Of Human Srsf2 (Sc35) Rrm" . . . . . 100.00 135 100.00 100.00 3.55e-91 . . . . 17705 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 . . . . 17705 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 . . . . 17705 1 8 no DBJ BAC03903 . "unnamed protein product [Homo sapiens]" . . . . . 68.89 201 98.92 98.92 7.22e-61 . . . . 17705 1 9 no DBJ BAC04206 . "unnamed protein product [Homo sapiens]" . . . . . 58.52 186 100.00 100.00 1.19e-47 . . . . 17705 1 10 no DBJ BAC36346 . "unnamed protein product [Mus musculus]" . . . . . 74.81 254 100.00 100.00 3.37e-66 . . . . 17705 1 11 no DBJ BAC39610 . "unnamed protein product [Mus musculus]" . . . . . 74.81 221 100.00 100.00 1.46e-67 . . . . 17705 1 12 no DBJ BAC40111 . "unnamed protein product [Mus musculus]" . . . . . 74.81 221 100.00 100.00 1.46e-67 . . . . 17705 1 13 no EMBL CAA44306 . "PR 264 [Gallus gallus]" . . . . . 74.81 221 100.00 100.00 6.82e-68 . . . . 17705 1 14 no EMBL CAA44307 . "PR 264 [Homo sapiens]" . . . . . 74.81 221 100.00 100.00 1.46e-67 . . . . 17705 1 15 no EMBL CAA53383 . "PR264/SC35 [Homo sapiens]" . . . . . 74.81 221 100.00 100.00 1.46e-67 . . . . 17705 1 16 no EMBL CAA67134 . "PR264/SC35 [Mus musculus]" . . . . . 74.81 121 100.00 100.00 1.47e-64 . . . . 17705 1 17 no EMBL CAJ82901 . "splicing factor, arginine/serine-rich 2 [Xenopus (Silurana) tropicalis]" . . . . . 74.07 220 99.00 100.00 1.02e-66 . . . . 17705 1 18 no GB AAA60306 . "splicing factor [Homo sapiens]" . . . . . 74.81 221 99.01 99.01 1.91e-66 . . . . 17705 1 19 no GB AAC71000 . "splicing factor SC35 [Mus musculus]" . . . . . 74.81 221 100.00 100.00 1.46e-67 . . . . 17705 1 20 no GB AAH00339 . "SFRS2 protein [Homo sapiens]" . . . . . 74.81 221 100.00 100.00 1.46e-67 . . . . 17705 1 21 no GB AAH01303 . "SFRS2 protein [Homo sapiens]" . . . . . 74.81 221 100.00 100.00 1.46e-67 . . . . 17705 1 22 no GB AAH05493 . "Sfrs2 protein [Mus musculus]" . . . . . 74.81 221 100.00 100.00 1.46e-67 . . . . 17705 1 23 no PIR A42701 . "splicing factor SFRS2 - human" . . . . . 74.81 221 100.00 100.00 1.46e-67 . . . . 17705 1 24 no PRF 1805195A . "RNA-binding protein PR264 [Gallus gallus]" . . . . . 74.81 221 100.00 100.00 6.82e-68 . . . . 17705 1 25 no PRF 1805195B . "RNA-binding protein PR264" . . . . . 74.81 221 100.00 100.00 1.46e-67 . . . . 17705 1 26 no REF NP_001001305 . "serine/arginine-rich splicing factor 2 [Gallus gallus]" . . . . . 74.81 221 100.00 100.00 6.82e-68 . . . . 17705 1 27 no REF NP_001009720 . "serine/arginine-rich splicing factor 2 [Rattus norvegicus]" . . . . . 74.81 221 100.00 100.00 1.46e-67 . . . . 17705 1 28 no REF NP_001029290 . "serine/arginine-rich splicing factor 2 [Pan troglodytes]" . . . . . 74.81 221 100.00 100.00 2.02e-67 . . . . 17705 1 29 no REF NP_001029490 . "serine/arginine-rich splicing factor 2 [Bos taurus]" . . . . . 74.81 221 100.00 100.00 1.46e-67 . . . . 17705 1 30 no REF NP_001070697 . "serine/arginine-rich splicing factor 2 [Sus scrofa]" . . . . . 74.81 221 100.00 100.00 1.16e-67 . . . . 17705 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 . . . . 17705 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 . . . . 17705 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 . . . . 17705 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 . . . . 17705 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 . . . . 17705 1 36 no TPG DAA18198 . "TPA: splicing factor, arginine/serine-rich 2 [Bos taurus]" . . . . . 74.81 221 100.00 100.00 1.46e-67 . . . . 17705 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 . 17705 1 2 -32 GLY . 17705 1 3 -31 SER . 17705 1 4 -30 SER . 17705 1 5 -29 HIS . 17705 1 6 -28 HIS . 17705 1 7 -27 HIS . 17705 1 8 -26 HIS . 17705 1 9 -25 HIS . 17705 1 10 -24 HIS . 17705 1 11 -23 SER . 17705 1 12 -22 SER . 17705 1 13 -21 GLY . 17705 1 14 -20 LEU . 17705 1 15 -19 VAL . 17705 1 16 -18 PRO . 17705 1 17 -17 ARG . 17705 1 18 -16 GLY . 17705 1 19 -15 SER . 17705 1 20 -14 HIS . 17705 1 21 -13 MET . 17705 1 22 -12 ALA . 17705 1 23 -11 SER . 17705 1 24 -10 MET . 17705 1 25 -9 THR . 17705 1 26 -8 GLY . 17705 1 27 -7 GLY . 17705 1 28 -6 GLN . 17705 1 29 -5 GLN . 17705 1 30 -4 MET . 17705 1 31 -3 GLY . 17705 1 32 -2 ARG . 17705 1 33 -1 GLY . 17705 1 34 0 SER . 17705 1 35 1 MET . 17705 1 36 2 SER . 17705 1 37 3 TYR . 17705 1 38 4 GLY . 17705 1 39 5 ARG . 17705 1 40 6 PRO . 17705 1 41 7 PRO . 17705 1 42 8 PRO . 17705 1 43 9 ASP . 17705 1 44 10 VAL . 17705 1 45 11 GLU . 17705 1 46 12 GLY . 17705 1 47 13 MET . 17705 1 48 14 THR . 17705 1 49 15 SER . 17705 1 50 16 LEU . 17705 1 51 17 LYS . 17705 1 52 18 VAL . 17705 1 53 19 ASP . 17705 1 54 20 ASN . 17705 1 55 21 LEU . 17705 1 56 22 THR . 17705 1 57 23 TYR . 17705 1 58 24 ARG . 17705 1 59 25 THR . 17705 1 60 26 SER . 17705 1 61 27 PRO . 17705 1 62 28 ASP . 17705 1 63 29 THR . 17705 1 64 30 LEU . 17705 1 65 31 ARG . 17705 1 66 32 ARG . 17705 1 67 33 VAL . 17705 1 68 34 PHE . 17705 1 69 35 GLU . 17705 1 70 36 LYS . 17705 1 71 37 TYR . 17705 1 72 38 GLY . 17705 1 73 39 ARG . 17705 1 74 40 VAL . 17705 1 75 41 GLY . 17705 1 76 42 ASP . 17705 1 77 43 VAL . 17705 1 78 44 TYR . 17705 1 79 45 ILE . 17705 1 80 46 PRO . 17705 1 81 47 ARG . 17705 1 82 48 ASP . 17705 1 83 49 ARG . 17705 1 84 50 TYR . 17705 1 85 51 THR . 17705 1 86 52 LYS . 17705 1 87 53 GLU . 17705 1 88 54 SER . 17705 1 89 55 ARG . 17705 1 90 56 GLY . 17705 1 91 57 PHE . 17705 1 92 58 ALA . 17705 1 93 59 PHE . 17705 1 94 60 VAL . 17705 1 95 61 ARG . 17705 1 96 62 PHE . 17705 1 97 63 HIS . 17705 1 98 64 ASP . 17705 1 99 65 LYS . 17705 1 100 66 ARG . 17705 1 101 67 ASP . 17705 1 102 68 ALA . 17705 1 103 69 GLU . 17705 1 104 70 ASP . 17705 1 105 71 ALA . 17705 1 106 72 MET . 17705 1 107 73 ASP . 17705 1 108 74 ALA . 17705 1 109 75 MET . 17705 1 110 76 ASP . 17705 1 111 77 GLY . 17705 1 112 78 ALA . 17705 1 113 79 VAL . 17705 1 114 80 LEU . 17705 1 115 81 ASP . 17705 1 116 82 GLY . 17705 1 117 83 ARG . 17705 1 118 84 GLU . 17705 1 119 85 LEU . 17705 1 120 86 ARG . 17705 1 121 87 VAL . 17705 1 122 88 GLN . 17705 1 123 89 MET . 17705 1 124 90 ALA . 17705 1 125 91 ARG . 17705 1 126 92 TYR . 17705 1 127 93 GLY . 17705 1 128 94 ARG . 17705 1 129 95 PRO . 17705 1 130 96 PRO . 17705 1 131 97 ASP . 17705 1 132 98 SER . 17705 1 133 99 HIS . 17705 1 134 100 HIS . 17705 1 135 101 SER . 17705 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 17705 1 . GLY 2 2 17705 1 . SER 3 3 17705 1 . SER 4 4 17705 1 . HIS 5 5 17705 1 . HIS 6 6 17705 1 . HIS 7 7 17705 1 . HIS 8 8 17705 1 . HIS 9 9 17705 1 . HIS 10 10 17705 1 . SER 11 11 17705 1 . SER 12 12 17705 1 . GLY 13 13 17705 1 . LEU 14 14 17705 1 . VAL 15 15 17705 1 . PRO 16 16 17705 1 . ARG 17 17 17705 1 . GLY 18 18 17705 1 . SER 19 19 17705 1 . HIS 20 20 17705 1 . MET 21 21 17705 1 . ALA 22 22 17705 1 . SER 23 23 17705 1 . MET 24 24 17705 1 . THR 25 25 17705 1 . GLY 26 26 17705 1 . GLY 27 27 17705 1 . GLN 28 28 17705 1 . GLN 29 29 17705 1 . MET 30 30 17705 1 . GLY 31 31 17705 1 . ARG 32 32 17705 1 . GLY 33 33 17705 1 . SER 34 34 17705 1 . MET 35 35 17705 1 . SER 36 36 17705 1 . TYR 37 37 17705 1 . GLY 38 38 17705 1 . ARG 39 39 17705 1 . PRO 40 40 17705 1 . PRO 41 41 17705 1 . PRO 42 42 17705 1 . ASP 43 43 17705 1 . VAL 44 44 17705 1 . GLU 45 45 17705 1 . GLY 46 46 17705 1 . MET 47 47 17705 1 . THR 48 48 17705 1 . SER 49 49 17705 1 . LEU 50 50 17705 1 . LYS 51 51 17705 1 . VAL 52 52 17705 1 . ASP 53 53 17705 1 . ASN 54 54 17705 1 . LEU 55 55 17705 1 . THR 56 56 17705 1 . TYR 57 57 17705 1 . ARG 58 58 17705 1 . THR 59 59 17705 1 . SER 60 60 17705 1 . PRO 61 61 17705 1 . ASP 62 62 17705 1 . THR 63 63 17705 1 . LEU 64 64 17705 1 . ARG 65 65 17705 1 . ARG 66 66 17705 1 . VAL 67 67 17705 1 . PHE 68 68 17705 1 . GLU 69 69 17705 1 . LYS 70 70 17705 1 . TYR 71 71 17705 1 . GLY 72 72 17705 1 . ARG 73 73 17705 1 . VAL 74 74 17705 1 . GLY 75 75 17705 1 . ASP 76 76 17705 1 . VAL 77 77 17705 1 . TYR 78 78 17705 1 . ILE 79 79 17705 1 . PRO 80 80 17705 1 . ARG 81 81 17705 1 . ASP 82 82 17705 1 . ARG 83 83 17705 1 . TYR 84 84 17705 1 . THR 85 85 17705 1 . LYS 86 86 17705 1 . GLU 87 87 17705 1 . SER 88 88 17705 1 . ARG 89 89 17705 1 . GLY 90 90 17705 1 . PHE 91 91 17705 1 . ALA 92 92 17705 1 . PHE 93 93 17705 1 . VAL 94 94 17705 1 . ARG 95 95 17705 1 . PHE 96 96 17705 1 . HIS 97 97 17705 1 . ASP 98 98 17705 1 . LYS 99 99 17705 1 . ARG 100 100 17705 1 . ASP 101 101 17705 1 . ALA 102 102 17705 1 . GLU 103 103 17705 1 . ASP 104 104 17705 1 . ALA 105 105 17705 1 . MET 106 106 17705 1 . ASP 107 107 17705 1 . ALA 108 108 17705 1 . MET 109 109 17705 1 . ASP 110 110 17705 1 . GLY 111 111 17705 1 . ALA 112 112 17705 1 . VAL 113 113 17705 1 . LEU 114 114 17705 1 . ASP 115 115 17705 1 . GLY 116 116 17705 1 . ARG 117 117 17705 1 . GLU 118 118 17705 1 . LEU 119 119 17705 1 . ARG 120 120 17705 1 . VAL 121 121 17705 1 . GLN 122 122 17705 1 . MET 123 123 17705 1 . ALA 124 124 17705 1 . ARG 125 125 17705 1 . TYR 126 126 17705 1 . GLY 127 127 17705 1 . ARG 128 128 17705 1 . PRO 129 129 17705 1 . PRO 130 130 17705 1 . ASP 131 131 17705 1 . SER 132 132 17705 1 . HIS 133 133 17705 1 . HIS 134 134 17705 1 . SER 135 135 17705 1 stop_ save_ #################### # Natural source # #################### save_natural_source _Entity_natural_src_list.Sf_category natural_source _Entity_natural_src_list.Sf_framecode natural_source _Entity_natural_src_list.Entry_ID 17705 _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' . . . . 17705 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 17705 _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 . . . . . . 17705 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_SRSF2_RRM_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode SRSF2_RRM_sample_1 _Sample.Entry_ID 17705 _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 1' [U-15N] . . 1 $SRSF2_RRM . . 0.75 . . mM 0.1 . . . 17705 1 2 'SRSF2 RRM 2' '[U-13C; U-15N]' . . 1 $SRSF2_RRM . . 0.75 . . mM 0.1 . . . 17705 1 3 L-Arg 'natural abundance' . . . . . . 50 . . mM . . . . 17705 1 4 L-Glu 'natural abundance' . . . . . . 50 . . mM . . . . 17705 1 5 NaH2PO4 'natural abundance' . . . . . . 20 . . mM . . . . 17705 1 6 H2O 'natural abundance' . . . . . . 90 . . % . . . . 17705 1 7 D2O 'natural abundance' . . . . . . 10 . . % . . . . 17705 1 stop_ save_ save_SRSF2_RRM_D2O _Sample.Sf_category sample _Sample.Sf_framecode SRSF2_RRM_D2O _Sample.Entry_ID 17705 _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 1' [U-15N] . . 1 $SRSF2_RRM . . 0.75 . . mM 0.1 . . . 17705 2 2 L-Arg 'natural abundance' . . . . . . 50 . . mM . . . . 17705 2 3 L-Glu 'natural abundance' . . . . . . 50 . . mM . . . . 17705 2 4 NaH2PO4 'natural abundance' . . . . . . 20 . . mM . . . . 17705 2 5 D2O 'natural abundance' . . . . . . 100 . . % . . . . 17705 2 stop_ save_ ####################### # Sample conditions # ####################### save_SRSF2_RRM_sample_conditions _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode SRSF2_RRM_sample_conditions _Sample_condition_list.Entry_ID 17705 _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 17705 1 pH 5.5 . pH 17705 1 pressure 1 . atm 17705 1 temperature 310.8 . K 17705 1 stop_ save_ ############################ # Computer software used # ############################ save_CYANA _Software.Sf_category software _Software.Sf_framecode CYANA _Software.Entry_ID 17705 _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' . . 17705 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'structure solution' 17705 1 stop_ save_ save_AMBER _Software.Sf_category software _Software.Sf_framecode AMBER _Software.Entry_ID 17705 _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' . . 17705 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID refinement 17705 2 stop_ save_ save_SPARKY _Software.Sf_category software _Software.Sf_framecode SPARKY _Software.Entry_ID 17705 _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 . . 17705 3 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' 17705 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 17705 _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 17705 _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 17705 _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 17705 _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 17705 _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 . . 17705 1 2 spectrometer_2 Bruker Avance . 600 cryoprobe . . 17705 1 3 spectrometer_3 Bruker Avance . 700 cryoprobe . . 17705 1 4 spectrometer_4 Bruker Avance . 900 cryoprobe . . 17705 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 17705 _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_sample_1 isotropic . . 1 $SRSF2_RRM_sample_conditions . . . . . . . . . . . . . . . . . . . . . 17705 1 2 '2D 1H-13C HSQC' no . . . . . . . . . . 1 $SRSF2_RRM_sample_1 isotropic . . 1 $SRSF2_RRM_sample_conditions . . . . . . . . . . . . . . . . . . . . . 17705 1 3 '2D 1H-1H TOCSY' no . . . . . . . . . . 2 $SRSF2_RRM_D2O isotropic . . 1 $SRSF2_RRM_sample_conditions . . . . . . . . . . . . . . . . . . . . . 17705 1 4 '3D HCACO' no . . . . . . . . . . 1 $SRSF2_RRM_sample_1 isotropic . . 1 $SRSF2_RRM_sample_conditions . . . . . . . . . . . . . . . . . . . . . 17705 1 5 '3D HNCO' no . . . . . . . . . . 1 $SRSF2_RRM_sample_1 isotropic . . 1 $SRSF2_RRM_sample_conditions . . . . . . . . . . . . . . . . . . . . . 17705 1 6 '3D HNCA' no . . . . . . . . . . 1 $SRSF2_RRM_sample_1 isotropic . . 1 $SRSF2_RRM_sample_conditions . . . . . . . . . . . . . . . . . . . . . 17705 1 7 '3D HN(CO)CA' no . . . . . . . . . . 1 $SRSF2_RRM_sample_1 isotropic . . 1 $SRSF2_RRM_sample_conditions . . . . . . . . . . . . . . . . . . . . . 17705 1 8 '3D CBCA(CO)NH' no . . . . . . . . . . 1 $SRSF2_RRM_sample_1 isotropic . . 1 $SRSF2_RRM_sample_conditions . . . . . . . . . . . . . . . . . . . . . 17705 1 9 '3D HNCACB' no . . . . . . . . . . 1 $SRSF2_RRM_sample_1 isotropic . . 1 $SRSF2_RRM_sample_conditions . . . . . . . . . . . . . . . . . . . . . 17705 1 10 '3D H(CCO)NH' no . . . . . . . . . . 1 $SRSF2_RRM_sample_1 isotropic . . 1 $SRSF2_RRM_sample_conditions . . . . . . . . . . . . . . . . . . . . . 17705 1 11 '3D HCCH-TOCSY' no . . . . . . . . . . 1 $SRSF2_RRM_sample_1 isotropic . . 1 $SRSF2_RRM_sample_conditions . . . . . . . . . . . . . . . . . . . . . 17705 1 12 '3D 1H-13C NOESY' no . . . . . . . . . . 1 $SRSF2_RRM_sample_1 isotropic . . 1 $SRSF2_RRM_sample_conditions . . . 3 $spectrometer_3 . . . . . . . . . . . . . . . . 17705 1 13 '3D 1H-15N NOESY' no . . . . . . . . . . 1 $SRSF2_RRM_sample_1 isotropic . . 1 $SRSF2_RRM_sample_conditions . . . 3 $spectrometer_3 . . . . . . . . . . . . . . . . 17705 1 14 '2D 1H-1H NOESY' no . . . . . . . . . . 2 $SRSF2_RRM_D2O isotropic . . 1 $SRSF2_RRM_sample_conditions . . . 3 $spectrometer_3 . . . . . . . . . . . . . . . . 17705 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 17705 _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 . . . . . . . . . 17705 1 H 1 DSS 'methyl protons' . . . . ppm 0.00 internal direct 1.000000000 . . . . . . . . . 17705 1 N 15 DSS 'methyl protons' . . . . ppm 0.00 . indirect 0.101329118 . . . . . . . . . 17705 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 17705 _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_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 12 '3D 1H-13C NOESY' . . . 17705 1 13 '3D 1H-15N NOESY' . . . 17705 1 14 '2D 1H-1H NOESY' . . . 17705 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 8.111 0.011 . 1 . . . A 2 SER H . 17705 1 2 . 1 1 36 36 SER HA H 1 4.389 0.000 . 1 . . . A 2 SER HA . 17705 1 3 . 1 1 36 36 SER HB2 H 1 3.750 0.002 . 2 . . . A 2 SER HB2 . 17705 1 4 . 1 1 36 36 SER HB3 H 1 3.750 0.002 . 2 . . . A 2 SER HB3 . 17705 1 5 . 1 1 36 36 SER CB C 13 61.141 0.000 . 1 . . . A 2 SER CB . 17705 1 6 . 1 1 36 36 SER N N 15 116.240 0.002 . 1 . . . A 2 SER N . 17705 1 7 . 1 1 37 37 TYR H H 1 8.062 0.008 . 1 . . . A 3 TYR H . 17705 1 8 . 1 1 37 37 TYR HA H 1 4.545 0.003 . 1 . . . A 3 TYR HA . 17705 1 9 . 1 1 37 37 TYR HB2 H 1 2.918 0.003 . 2 . . . A 3 TYR HB2 . 17705 1 10 . 1 1 37 37 TYR HB3 H 1 3.068 0.004 . 2 . . . A 3 TYR HB3 . 17705 1 11 . 1 1 37 37 TYR HD1 H 1 7.086 0.008 . 3 . . . A 3 TYR HD1 . 17705 1 12 . 1 1 37 37 TYR HD2 H 1 7.086 0.008 . 3 . . . A 3 TYR HD2 . 17705 1 13 . 1 1 37 37 TYR HE1 H 1 6.781 0.005 . 3 . . . A 3 TYR HE1 . 17705 1 14 . 1 1 37 37 TYR HE2 H 1 6.781 0.005 . 3 . . . A 3 TYR HE2 . 17705 1 15 . 1 1 37 37 TYR CA C 13 55.295 0.000 . 1 . . . A 3 TYR CA . 17705 1 16 . 1 1 37 37 TYR CB C 13 36.113 0.011 . 1 . . . A 3 TYR CB . 17705 1 17 . 1 1 37 37 TYR CD1 C 13 133.121 0.015 . 3 . . . A 3 TYR CD1 . 17705 1 18 . 1 1 37 37 TYR N N 15 121.776 0.008 . 1 . . . A 3 TYR N . 17705 1 19 . 1 1 38 38 GLY H H 1 8.221 0.007 . 1 . . . A 4 GLY H . 17705 1 20 . 1 1 38 38 GLY HA2 H 1 3.860 0.002 . 2 . . . A 4 GLY HA2 . 17705 1 21 . 1 1 38 38 GLY HA3 H 1 3.860 0.002 . 2 . . . A 4 GLY HA3 . 17705 1 22 . 1 1 38 38 GLY CA C 13 42.578 0.000 . 1 . . . A 4 GLY CA . 17705 1 23 . 1 1 38 38 GLY N N 15 110.102 0.004 . 1 . . . A 4 GLY N . 17705 1 24 . 1 1 39 39 ARG H H 1 7.967 0.007 . 1 . . . A 5 ARG H . 17705 1 25 . 1 1 39 39 ARG HA H 1 4.582 0.004 . 1 . . . A 5 ARG HA . 17705 1 26 . 1 1 39 39 ARG HB2 H 1 1.638 0.015 . 2 . . . A 5 ARG HB2 . 17705 1 27 . 1 1 39 39 ARG HB3 H 1 1.799 0.002 . 2 . . . A 5 ARG HB3 . 17705 1 28 . 1 1 39 39 ARG HD2 H 1 3.157 0.003 . 2 . . . A 5 ARG HD2 . 17705 1 29 . 1 1 39 39 ARG HD3 H 1 3.157 0.003 . 2 . . . A 5 ARG HD3 . 17705 1 30 . 1 1 39 39 ARG CA C 13 51.020 0.000 . 1 . . . A 5 ARG CA . 17705 1 31 . 1 1 39 39 ARG CB C 13 27.731 0.036 . 1 . . . A 5 ARG CB . 17705 1 32 . 1 1 39 39 ARG N N 15 121.307 0.013 . 1 . . . A 5 ARG N . 17705 1 33 . 1 1 40 40 PRO HD2 H 1 3.548 0.001 . 2 . . . A 6 PRO HD2 . 17705 1 34 . 1 1 40 40 PRO HD3 H 1 3.757 0.005 . 2 . . . A 6 PRO HD3 . 17705 1 35 . 1 1 40 40 PRO CD C 13 47.849 0.016 . 1 . . . A 6 PRO CD . 17705 1 36 . 1 1 42 42 PRO HA H 1 4.331 0.000 . 1 . . . A 8 PRO HA . 17705 1 37 . 1 1 42 42 PRO HB2 H 1 1.827 0.003 . 2 . . . A 8 PRO HB2 . 17705 1 38 . 1 1 42 42 PRO HB3 H 1 2.206 0.000 . 2 . . . A 8 PRO HB3 . 17705 1 39 . 1 1 42 42 PRO HG2 H 1 1.940 0.002 . 2 . . . A 8 PRO HG2 . 17705 1 40 . 1 1 42 42 PRO HG3 H 1 1.940 0.002 . 2 . . . A 8 PRO HG3 . 17705 1 41 . 1 1 42 42 PRO HD2 H 1 3.556 0.000 . 2 . . . A 8 PRO HD2 . 17705 1 42 . 1 1 42 42 PRO HD3 H 1 3.709 0.004 . 2 . . . A 8 PRO HD3 . 17705 1 43 . 1 1 42 42 PRO CA C 13 60.519 0.000 . 1 . . . A 8 PRO CA . 17705 1 44 . 1 1 42 42 PRO CB C 13 29.290 0.003 . 1 . . . A 8 PRO CB . 17705 1 45 . 1 1 42 42 PRO CG C 13 24.674 0.000 . 1 . . . A 8 PRO CG . 17705 1 46 . 1 1 42 42 PRO CD C 13 47.658 0.007 . 1 . . . A 8 PRO CD . 17705 1 47 . 1 1 43 43 ASP H H 1 8.260 0.002 . 1 . . . A 9 ASP H . 17705 1 48 . 1 1 43 43 ASP HA H 1 4.542 0.005 . 1 . . . A 9 ASP HA . 17705 1 49 . 1 1 43 43 ASP HB2 H 1 2.579 0.000 . 2 . . . A 9 ASP HB2 . 17705 1 50 . 1 1 43 43 ASP HB3 H 1 2.660 0.006 . 2 . . . A 9 ASP HB3 . 17705 1 51 . 1 1 43 43 ASP CB C 13 38.419 0.019 . 1 . . . A 9 ASP CB . 17705 1 52 . 1 1 43 43 ASP N N 15 119.234 0.004 . 1 . . . A 9 ASP N . 17705 1 53 . 1 1 44 44 VAL H H 1 7.903 0.005 . 1 . . . A 10 VAL H . 17705 1 54 . 1 1 44 44 VAL HA H 1 4.031 0.000 . 1 . . . A 10 VAL HA . 17705 1 55 . 1 1 44 44 VAL HB H 1 2.029 0.001 . 1 . . . A 10 VAL HB . 17705 1 56 . 1 1 44 44 VAL HG11 H 1 0.823 0.000 . 2 . . . A 10 VAL HG11 . 17705 1 57 . 1 1 44 44 VAL HG12 H 1 0.823 0.000 . 2 . . . A 10 VAL HG12 . 17705 1 58 . 1 1 44 44 VAL HG13 H 1 0.823 0.000 . 2 . . . A 10 VAL HG13 . 17705 1 59 . 1 1 44 44 VAL HG21 H 1 0.823 0.000 . 2 . . . A 10 VAL HG21 . 17705 1 60 . 1 1 44 44 VAL HG22 H 1 0.823 0.000 . 2 . . . A 10 VAL HG22 . 17705 1 61 . 1 1 44 44 VAL HG23 H 1 0.823 0.000 . 2 . . . A 10 VAL HG23 . 17705 1 62 . 1 1 44 44 VAL CA C 13 60.068 0.000 . 1 . . . A 10 VAL CA . 17705 1 63 . 1 1 44 44 VAL CB C 13 29.848 0.000 . 1 . . . A 10 VAL CB . 17705 1 64 . 1 1 44 44 VAL CG1 C 13 17.730 0.000 . 2 . . . A 10 VAL CG1 . 17705 1 65 . 1 1 44 44 VAL CG2 C 13 18.278 0.000 . 2 . . . A 10 VAL CG2 . 17705 1 66 . 1 1 44 44 VAL N N 15 119.005 0.002 . 1 . . . A 10 VAL N . 17705 1 67 . 1 1 45 45 GLU H H 1 8.304 0.005 . 1 . . . A 11 GLU H . 17705 1 68 . 1 1 45 45 GLU HA H 1 4.132 0.007 . 1 . . . A 11 GLU HA . 17705 1 69 . 1 1 45 45 GLU HB2 H 1 1.941 0.003 . 2 . . . A 11 GLU HB2 . 17705 1 70 . 1 1 45 45 GLU HB3 H 1 2.020 0.000 . 2 . . . A 11 GLU HB3 . 17705 1 71 . 1 1 45 45 GLU HG2 H 1 2.228 0.004 . 2 . . . A 11 GLU HG2 . 17705 1 72 . 1 1 45 45 GLU HG3 H 1 2.228 0.004 . 2 . . . A 11 GLU HG3 . 17705 1 73 . 1 1 45 45 GLU CA C 13 54.758 0.000 . 1 . . . A 11 GLU CA . 17705 1 74 . 1 1 45 45 GLU CB C 13 27.210 0.008 . 1 . . . A 11 GLU CB . 17705 1 75 . 1 1 45 45 GLU CG C 13 33.624 0.000 . 1 . . . A 11 GLU CG . 17705 1 76 . 1 1 45 45 GLU N N 15 122.556 0.000 . 1 . . . A 11 GLU N . 17705 1 77 . 1 1 46 46 GLY H H 1 8.187 0.001 . 1 . . . A 12 GLY H . 17705 1 78 . 1 1 46 46 GLY HA2 H 1 4.012 0.009 . 2 . . . A 12 GLY HA2 . 17705 1 79 . 1 1 46 46 GLY HA3 H 1 4.012 0.009 . 2 . . . A 12 GLY HA3 . 17705 1 80 . 1 1 46 46 GLY CA C 13 42.772 0.000 . 1 . . . A 12 GLY CA . 17705 1 81 . 1 1 46 46 GLY N N 15 108.250 0.001 . 1 . . . A 12 GLY N . 17705 1 82 . 1 1 47 47 MET H H 1 7.798 0.017 . 1 . . . A 13 MET H . 17705 1 83 . 1 1 47 47 MET HA H 1 4.606 0.000 . 1 . . . A 13 MET HA . 17705 1 84 . 1 1 47 47 MET HB2 H 1 2.276 0.008 . 2 . . . A 13 MET HB2 . 17705 1 85 . 1 1 47 47 MET HB3 H 1 2.506 0.001 . 2 . . . A 13 MET HB3 . 17705 1 86 . 1 1 47 47 MET HG2 H 1 1.882 0.000 . 2 . . . A 13 MET HG2 . 17705 1 87 . 1 1 47 47 MET HG3 H 1 1.882 0.000 . 2 . . . A 13 MET HG3 . 17705 1 88 . 1 1 47 47 MET HE1 H 1 1.755 0.000 . 2 . . . A 13 MET HE1 . 17705 1 89 . 1 1 47 47 MET HE2 H 1 1.755 0.000 . 2 . . . A 13 MET HE2 . 17705 1 90 . 1 1 47 47 MET HE3 H 1 1.755 0.000 . 2 . . . A 13 MET HE3 . 17705 1 91 . 1 1 47 47 MET CB C 13 30.713 0.006 . 1 . . . A 13 MET CB . 17705 1 92 . 1 1 47 47 MET CE C 13 15.042 0.000 . 1 . . . A 13 MET CE . 17705 1 93 . 1 1 47 47 MET N N 15 118.678 0.023 . 1 . . . A 13 MET N . 17705 1 94 . 1 1 48 48 THR H H 1 8.693 0.005 . 1 . . . A 14 THR H . 17705 1 95 . 1 1 48 48 THR HA H 1 4.469 0.012 . 1 . . . A 14 THR HA . 17705 1 96 . 1 1 48 48 THR HB H 1 3.895 0.008 . 1 . . . A 14 THR HB . 17705 1 97 . 1 1 48 48 THR HG21 H 1 1.140 0.007 . 2 . . . A 14 THR HG21 . 17705 1 98 . 1 1 48 48 THR HG22 H 1 1.140 0.007 . 2 . . . A 14 THR HG22 . 17705 1 99 . 1 1 48 48 THR HG23 H 1 1.140 0.007 . 2 . . . A 14 THR HG23 . 17705 1 100 . 1 1 48 48 THR CA C 13 60.072 0.000 . 1 . . . A 14 THR CA . 17705 1 101 . 1 1 48 48 THR CB C 13 67.533 0.000 . 1 . . . A 14 THR CB . 17705 1 102 . 1 1 48 48 THR CG2 C 13 19.452 0.000 . 1 . . . A 14 THR CG2 . 17705 1 103 . 1 1 48 48 THR N N 15 116.971 0.006 . 1 . . . A 14 THR N . 17705 1 104 . 1 1 49 49 SER H H 1 8.813 0.004 . 1 . . . A 15 SER H . 17705 1 105 . 1 1 49 49 SER HA H 1 5.369 0.011 . 1 . . . A 15 SER HA . 17705 1 106 . 1 1 49 49 SER HB2 H 1 3.619 0.001 . 2 . . . A 15 SER HB2 . 17705 1 107 . 1 1 49 49 SER HB3 H 1 3.882 0.002 . 2 . . . A 15 SER HB3 . 17705 1 108 . 1 1 49 49 SER CA C 13 55.530 0.000 . 1 . . . A 15 SER CA . 17705 1 109 . 1 1 49 49 SER CB C 13 62.465 0.019 . 1 . . . A 15 SER CB . 17705 1 110 . 1 1 49 49 SER N N 15 121.549 0.004 . 1 . . . A 15 SER N . 17705 1 111 . 1 1 50 50 LEU H H 1 9.287 0.011 . 1 . . . A 16 LEU H . 17705 1 112 . 1 1 50 50 LEU HA H 1 5.115 0.002 . 1 . . . A 16 LEU HA . 17705 1 113 . 1 1 50 50 LEU HB2 H 1 1.221 0.001 . 2 . . . A 16 LEU HB2 . 17705 1 114 . 1 1 50 50 LEU HB3 H 1 1.648 0.008 . 2 . . . A 16 LEU HB3 . 17705 1 115 . 1 1 50 50 LEU HD11 H 1 0.842 0.014 . 2 . . . A 16 LEU HD11 . 17705 1 116 . 1 1 50 50 LEU HD12 H 1 0.842 0.014 . 2 . . . A 16 LEU HD12 . 17705 1 117 . 1 1 50 50 LEU HD13 H 1 0.842 0.014 . 2 . . . A 16 LEU HD13 . 17705 1 118 . 1 1 50 50 LEU HD21 H 1 0.892 0.005 . 2 . . . A 16 LEU HD21 . 17705 1 119 . 1 1 50 50 LEU HD22 H 1 0.892 0.005 . 2 . . . A 16 LEU HD22 . 17705 1 120 . 1 1 50 50 LEU HD23 H 1 0.892 0.005 . 2 . . . A 16 LEU HD23 . 17705 1 121 . 1 1 50 50 LEU CA C 13 50.197 0.000 . 1 . . . A 16 LEU CA . 17705 1 122 . 1 1 50 50 LEU CB C 13 41.621 0.008 . 1 . . . A 16 LEU CB . 17705 1 123 . 1 1 50 50 LEU CD1 C 13 20.888 0.000 . 2 . . . A 16 LEU CD1 . 17705 1 124 . 1 1 50 50 LEU CD2 C 13 24.066 0.006 . 2 . . . A 16 LEU CD2 . 17705 1 125 . 1 1 50 50 LEU N N 15 122.760 0.010 . 1 . . . A 16 LEU N . 17705 1 126 . 1 1 51 51 LYS H H 1 9.240 0.022 . 1 . . . A 17 LYS H . 17705 1 127 . 1 1 51 51 LYS HA H 1 4.794 0.001 . 1 . . . A 17 LYS HA . 17705 1 128 . 1 1 51 51 LYS HB2 H 1 1.373 0.000 . 2 . . . A 17 LYS HB2 . 17705 1 129 . 1 1 51 51 LYS HB3 H 1 1.663 0.001 . 2 . . . A 17 LYS HB3 . 17705 1 130 . 1 1 51 51 LYS HG2 H 1 1.355 0.000 . 2 . . . A 17 LYS HG2 . 17705 1 131 . 1 1 51 51 LYS HG3 H 1 1.419 0.000 . 2 . . . A 17 LYS HG3 . 17705 1 132 . 1 1 51 51 LYS HD2 H 1 0.646 0.000 . 2 . . . A 17 LYS HD2 . 17705 1 133 . 1 1 51 51 LYS HD3 H 1 1.007 0.013 . 2 . . . A 17 LYS HD3 . 17705 1 134 . 1 1 51 51 LYS HE2 H 1 2.259 0.004 . 2 . . . A 17 LYS HE2 . 17705 1 135 . 1 1 51 51 LYS HE3 H 1 2.259 0.004 . 2 . . . A 17 LYS HE3 . 17705 1 136 . 1 1 51 51 LYS CA C 13 52.581 0.000 . 1 . . . A 17 LYS CA . 17705 1 137 . 1 1 51 51 LYS CB C 13 32.253 0.024 . 1 . . . A 17 LYS CB . 17705 1 138 . 1 1 51 51 LYS CG C 13 27.024 0.008 . 1 . . . A 17 LYS CG . 17705 1 139 . 1 1 51 51 LYS CD C 13 22.834 0.023 . 1 . . . A 17 LYS CD . 17705 1 140 . 1 1 51 51 LYS CE C 13 38.868 0.000 . 1 . . . A 17 LYS CE . 17705 1 141 . 1 1 51 51 LYS N N 15 123.384 0.008 . 1 . . . A 17 LYS N . 17705 1 142 . 1 1 52 52 VAL H H 1 9.194 0.003 . 1 . . . A 18 VAL H . 17705 1 143 . 1 1 52 52 VAL HA H 1 4.765 0.026 . 1 . . . A 18 VAL HA . 17705 1 144 . 1 1 52 52 VAL HB H 1 1.860 0.002 . 1 . . . A 18 VAL HB . 17705 1 145 . 1 1 52 52 VAL HG11 H 1 0.715 0.003 . 2 . . . A 18 VAL HG11 . 17705 1 146 . 1 1 52 52 VAL HG12 H 1 0.715 0.003 . 2 . . . A 18 VAL HG12 . 17705 1 147 . 1 1 52 52 VAL HG13 H 1 0.715 0.003 . 2 . . . A 18 VAL HG13 . 17705 1 148 . 1 1 52 52 VAL HG21 H 1 0.989 0.003 . 2 . . . A 18 VAL HG21 . 17705 1 149 . 1 1 52 52 VAL HG22 H 1 0.989 0.003 . 2 . . . A 18 VAL HG22 . 17705 1 150 . 1 1 52 52 VAL HG23 H 1 0.989 0.003 . 2 . . . A 18 VAL HG23 . 17705 1 151 . 1 1 52 52 VAL CA C 13 58.230 0.000 . 1 . . . A 18 VAL CA . 17705 1 152 . 1 1 52 52 VAL CB C 13 30.753 0.000 . 1 . . . A 18 VAL CB . 17705 1 153 . 1 1 52 52 VAL CG1 C 13 18.838 0.000 . 2 . . . A 18 VAL CG1 . 17705 1 154 . 1 1 52 52 VAL CG2 C 13 20.208 0.000 . 2 . . . A 18 VAL CG2 . 17705 1 155 . 1 1 52 52 VAL N N 15 129.496 0.006 . 1 . . . A 18 VAL N . 17705 1 156 . 1 1 53 53 ASP H H 1 9.382 0.005 . 1 . . . A 19 ASP H . 17705 1 157 . 1 1 53 53 ASP HA H 1 5.298 0.002 . 1 . . . A 19 ASP HA . 17705 1 158 . 1 1 53 53 ASP HB2 H 1 2.468 0.001 . 2 . . . A 19 ASP HB2 . 17705 1 159 . 1 1 53 53 ASP HB3 H 1 2.685 0.003 . 2 . . . A 19 ASP HB3 . 17705 1 160 . 1 1 53 53 ASP CA C 13 50.063 0.000 . 1 . . . A 19 ASP CA . 17705 1 161 . 1 1 53 53 ASP CB C 13 42.733 0.000 . 1 . . . A 19 ASP CB . 17705 1 162 . 1 1 53 53 ASP N N 15 126.148 0.007 . 1 . . . A 19 ASP N . 17705 1 163 . 1 1 54 54 ASN H H 1 8.736 0.009 . 1 . . . A 20 ASN H . 17705 1 164 . 1 1 54 54 ASN HA H 1 4.458 0.004 . 1 . . . A 20 ASN HA . 17705 1 165 . 1 1 54 54 ASN HB2 H 1 2.694 0.000 . 2 . . . A 20 ASN HB2 . 17705 1 166 . 1 1 54 54 ASN HB3 H 1 3.664 0.003 . 2 . . . A 20 ASN HB3 . 17705 1 167 . 1 1 54 54 ASN HD21 H 1 8.204 0.000 . 2 . . . A 20 ASN HD21 . 17705 1 168 . 1 1 54 54 ASN HD22 H 1 6.772 0.000 . 2 . . . A 20 ASN HD22 . 17705 1 169 . 1 1 54 54 ASN CA C 13 51.127 0.000 . 1 . . . A 20 ASN CA . 17705 1 170 . 1 1 54 54 ASN CB C 13 35.050 0.001 . 1 . . . A 20 ASN CB . 17705 1 171 . 1 1 54 54 ASN N N 15 113.840 0.009 . 1 . . . A 20 ASN N . 17705 1 172 . 1 1 54 54 ASN ND2 N 15 111.663 0.000 . 1 . . . A 20 ASN ND2 . 17705 1 173 . 1 1 55 55 LEU H H 1 7.661 0.002 . 1 . . . A 21 LEU H . 17705 1 174 . 1 1 55 55 LEU HA H 1 4.389 0.011 . 1 . . . A 21 LEU HA . 17705 1 175 . 1 1 55 55 LEU HB2 H 1 1.210 0.001 . 2 . . . A 21 LEU HB2 . 17705 1 176 . 1 1 55 55 LEU HB3 H 1 1.366 0.001 . 2 . . . A 21 LEU HB3 . 17705 1 177 . 1 1 55 55 LEU HG H 1 1.481 0.000 . 1 . . . A 21 LEU HG . 17705 1 178 . 1 1 55 55 LEU HD11 H 1 0.601 0.002 . 2 . . . A 21 LEU HD11 . 17705 1 179 . 1 1 55 55 LEU HD12 H 1 0.601 0.002 . 2 . . . A 21 LEU HD12 . 17705 1 180 . 1 1 55 55 LEU HD13 H 1 0.601 0.002 . 2 . . . A 21 LEU HD13 . 17705 1 181 . 1 1 55 55 LEU HD21 H 1 0.774 0.002 . 2 . . . A 21 LEU HD21 . 17705 1 182 . 1 1 55 55 LEU HD22 H 1 0.774 0.002 . 2 . . . A 21 LEU HD22 . 17705 1 183 . 1 1 55 55 LEU HD23 H 1 0.774 0.002 . 2 . . . A 21 LEU HD23 . 17705 1 184 . 1 1 55 55 LEU CA C 13 51.169 0.000 . 1 . . . A 21 LEU CA . 17705 1 185 . 1 1 55 55 LEU CB C 13 41.175 0.038 . 1 . . . A 21 LEU CB . 17705 1 186 . 1 1 55 55 LEU CD1 C 13 24.449 0.000 . 2 . . . A 21 LEU CD1 . 17705 1 187 . 1 1 55 55 LEU CD2 C 13 22.238 0.000 . 2 . . . A 21 LEU CD2 . 17705 1 188 . 1 1 55 55 LEU N N 15 115.267 0.014 . 1 . . . A 21 LEU N . 17705 1 189 . 1 1 56 56 THR H H 1 8.377 0.008 . 1 . . . A 22 THR H . 17705 1 190 . 1 1 56 56 THR HB H 1 4.401 0.011 . 1 . . . A 22 THR HB . 17705 1 191 . 1 1 56 56 THR HG21 H 1 1.368 0.002 . 2 . . . A 22 THR HG21 . 17705 1 192 . 1 1 56 56 THR HG22 H 1 1.368 0.002 . 2 . . . A 22 THR HG22 . 17705 1 193 . 1 1 56 56 THR HG23 H 1 1.368 0.002 . 2 . . . A 22 THR HG23 . 17705 1 194 . 1 1 56 56 THR CB C 13 68.066 0.000 . 1 . . . A 22 THR CB . 17705 1 195 . 1 1 56 56 THR CG2 C 13 20.112 0.000 . 1 . . . A 22 THR CG2 . 17705 1 196 . 1 1 56 56 THR N N 15 111.721 0.001 . 1 . . . A 22 THR N . 17705 1 197 . 1 1 57 57 TYR H H 1 8.601 0.008 . 1 . . . A 23 TYR H . 17705 1 198 . 1 1 57 57 TYR HA H 1 4.308 0.007 . 1 . . . A 23 TYR HA . 17705 1 199 . 1 1 57 57 TYR HB2 H 1 3.061 0.001 . 2 . . . A 23 TYR HB2 . 17705 1 200 . 1 1 57 57 TYR HB3 H 1 3.143 0.003 . 2 . . . A 23 TYR HB3 . 17705 1 201 . 1 1 57 57 TYR HD1 H 1 7.074 0.002 . 3 . . . A 23 TYR HD1 . 17705 1 202 . 1 1 57 57 TYR HD2 H 1 7.074 0.002 . 3 . . . A 23 TYR HD2 . 17705 1 203 . 1 1 57 57 TYR HE1 H 1 6.779 0.002 . 3 . . . A 23 TYR HE1 . 17705 1 204 . 1 1 57 57 TYR HE2 H 1 6.779 0.002 . 3 . . . A 23 TYR HE2 . 17705 1 205 . 1 1 57 57 TYR CA C 13 56.577 0.000 . 1 . . . A 23 TYR CA . 17705 1 206 . 1 1 57 57 TYR CB C 13 34.393 0.020 . 1 . . . A 23 TYR CB . 17705 1 207 . 1 1 57 57 TYR CD2 C 13 132.660 0.015 . 3 . . . A 23 TYR CD2 . 17705 1 208 . 1 1 57 57 TYR N N 15 122.454 0.014 . 1 . . . A 23 TYR N . 17705 1 209 . 1 1 58 58 ARG H H 1 7.366 0.010 . 1 . . . A 24 ARG H . 17705 1 210 . 1 1 58 58 ARG HA H 1 4.214 0.005 . 1 . . . A 24 ARG HA . 17705 1 211 . 1 1 58 58 ARG HB2 H 1 1.664 0.001 . 2 . . . A 24 ARG HB2 . 17705 1 212 . 1 1 58 58 ARG HB3 H 1 1.760 0.005 . 2 . . . A 24 ARG HB3 . 17705 1 213 . 1 1 58 58 ARG HG2 H 1 1.226 0.001 . 2 . . . A 24 ARG HG2 . 17705 1 214 . 1 1 58 58 ARG HG3 H 1 1.412 0.002 . 2 . . . A 24 ARG HG3 . 17705 1 215 . 1 1 58 58 ARG HD2 H 1 3.068 0.001 . 2 . . . A 24 ARG HD2 . 17705 1 216 . 1 1 58 58 ARG HD3 H 1 3.068 0.001 . 2 . . . A 24 ARG HD3 . 17705 1 217 . 1 1 58 58 ARG CA C 13 53.271 0.000 . 1 . . . A 24 ARG CA . 17705 1 218 . 1 1 58 58 ARG CB C 13 27.388 0.023 . 1 . . . A 24 ARG CB . 17705 1 219 . 1 1 58 58 ARG CG C 13 23.472 0.000 . 1 . . . A 24 ARG CG . 17705 1 220 . 1 1 58 58 ARG CD C 13 40.948 0.000 . 1 . . . A 24 ARG CD . 17705 1 221 . 1 1 58 58 ARG N N 15 114.958 0.007 . 1 . . . A 24 ARG N . 17705 1 222 . 1 1 59 59 THR H H 1 7.356 0.003 . 1 . . . A 25 THR H . 17705 1 223 . 1 1 59 59 THR HA H 1 4.037 0.006 . 1 . . . A 25 THR HA . 17705 1 224 . 1 1 59 59 THR HB H 1 4.026 0.000 . 1 . . . A 25 THR HB . 17705 1 225 . 1 1 59 59 THR HG21 H 1 1.118 0.004 . 2 . . . A 25 THR HG21 . 17705 1 226 . 1 1 59 59 THR HG22 H 1 1.118 0.004 . 2 . . . A 25 THR HG22 . 17705 1 227 . 1 1 59 59 THR HG23 H 1 1.118 0.004 . 2 . . . A 25 THR HG23 . 17705 1 228 . 1 1 59 59 THR CA C 13 62.031 0.000 . 1 . . . A 25 THR CA . 17705 1 229 . 1 1 59 59 THR CB C 13 65.705 0.000 . 1 . . . A 25 THR CB . 17705 1 230 . 1 1 59 59 THR CG2 C 13 19.219 0.000 . 1 . . . A 25 THR CG2 . 17705 1 231 . 1 1 59 59 THR N N 15 119.016 0.029 . 1 . . . A 25 THR N . 17705 1 232 . 1 1 60 60 SER H H 1 8.404 0.008 . 1 . . . A 26 SER H . 17705 1 233 . 1 1 60 60 SER HA H 1 4.834 0.003 . 1 . . . A 26 SER HA . 17705 1 234 . 1 1 60 60 SER HB2 H 1 4.369 0.009 . 2 . . . A 26 SER HB2 . 17705 1 235 . 1 1 60 60 SER HB3 H 1 4.369 0.009 . 2 . . . A 26 SER HB3 . 17705 1 236 . 1 1 60 60 SER CA C 13 52.978 0.000 . 1 . . . A 26 SER CA . 17705 1 237 . 1 1 60 60 SER CB C 13 61.637 0.000 . 1 . . . A 26 SER CB . 17705 1 238 . 1 1 60 60 SER N N 15 124.554 0.017 . 1 . . . A 26 SER N . 17705 1 239 . 1 1 61 61 PRO HA H 1 4.041 0.008 . 1 . . . A 27 PRO HA . 17705 1 240 . 1 1 61 61 PRO HG2 H 1 1.910 0.002 . 2 . . . A 27 PRO HG2 . 17705 1 241 . 1 1 61 61 PRO HG3 H 1 2.276 0.001 . 2 . . . A 27 PRO HG3 . 17705 1 242 . 1 1 61 61 PRO HD2 H 1 3.783 0.003 . 2 . . . A 27 PRO HD2 . 17705 1 243 . 1 1 61 61 PRO HD3 H 1 4.022 0.004 . 2 . . . A 27 PRO HD3 . 17705 1 244 . 1 1 61 61 PRO CA C 13 63.077 0.000 . 1 . . . A 27 PRO CA . 17705 1 245 . 1 1 61 61 PRO CG C 13 25.474 0.009 . 1 . . . A 27 PRO CG . 17705 1 246 . 1 1 61 61 PRO CD C 13 47.960 0.035 . 1 . . . A 27 PRO CD . 17705 1 247 . 1 1 62 62 ASP H H 1 8.022 0.003 . 1 . . . A 28 ASP H . 17705 1 248 . 1 1 62 62 ASP HA H 1 4.373 0.002 . 1 . . . A 28 ASP HA . 17705 1 249 . 1 1 62 62 ASP HB2 H 1 2.607 0.003 . 2 . . . A 28 ASP HB2 . 17705 1 250 . 1 1 62 62 ASP HB3 H 1 2.607 0.003 . 2 . . . A 28 ASP HB3 . 17705 1 251 . 1 1 62 62 ASP CA C 13 54.581 0.000 . 1 . . . A 28 ASP CA . 17705 1 252 . 1 1 62 62 ASP CB C 13 38.215 0.000 . 1 . . . A 28 ASP CB . 17705 1 253 . 1 1 62 62 ASP N N 15 115.821 0.007 . 1 . . . A 28 ASP N . 17705 1 254 . 1 1 63 63 THR H H 1 7.791 0.011 . 1 . . . A 29 THR H . 17705 1 255 . 1 1 63 63 THR HA H 1 3.898 0.003 . 1 . . . A 29 THR HA . 17705 1 256 . 1 1 63 63 THR HB H 1 4.332 0.010 . 1 . . . A 29 THR HB . 17705 1 257 . 1 1 63 63 THR HG21 H 1 1.246 0.004 . 2 . . . A 29 THR HG21 . 17705 1 258 . 1 1 63 63 THR HG22 H 1 1.246 0.004 . 2 . . . A 29 THR HG22 . 17705 1 259 . 1 1 63 63 THR HG23 H 1 1.246 0.004 . 2 . . . A 29 THR HG23 . 17705 1 260 . 1 1 63 63 THR CA C 13 63.704 0.000 . 1 . . . A 29 THR CA . 17705 1 261 . 1 1 63 63 THR CB C 13 65.555 0.007 . 1 . . . A 29 THR CB . 17705 1 262 . 1 1 63 63 THR CG2 C 13 18.898 0.000 . 1 . . . A 29 THR CG2 . 17705 1 263 . 1 1 63 63 THR N N 15 118.403 0.034 . 1 . . . A 29 THR N . 17705 1 264 . 1 1 64 64 LEU H H 1 7.607 0.004 . 1 . . . A 30 LEU H . 17705 1 265 . 1 1 64 64 LEU HA H 1 4.038 0.005 . 1 . . . A 30 LEU HA . 17705 1 266 . 1 1 64 64 LEU HB2 H 1 1.408 0.000 . 2 . . . A 30 LEU HB2 . 17705 1 267 . 1 1 64 64 LEU HB3 H 1 1.749 0.005 . 2 . . . A 30 LEU HB3 . 17705 1 268 . 1 1 64 64 LEU HG H 1 1.602 0.000 . 1 . . . A 30 LEU HG . 17705 1 269 . 1 1 64 64 LEU HD11 H 1 0.686 0.001 . 2 . . . A 30 LEU HD11 . 17705 1 270 . 1 1 64 64 LEU HD12 H 1 0.686 0.001 . 2 . . . A 30 LEU HD12 . 17705 1 271 . 1 1 64 64 LEU HD13 H 1 0.686 0.001 . 2 . . . A 30 LEU HD13 . 17705 1 272 . 1 1 64 64 LEU HD21 H 1 0.686 0.001 . 2 . . . A 30 LEU HD21 . 17705 1 273 . 1 1 64 64 LEU HD22 H 1 0.686 0.001 . 2 . . . A 30 LEU HD22 . 17705 1 274 . 1 1 64 64 LEU HD23 H 1 0.686 0.001 . 2 . . . A 30 LEU HD23 . 17705 1 275 . 1 1 64 64 LEU CA C 13 55.100 0.000 . 1 . . . A 30 LEU CA . 17705 1 276 . 1 1 64 64 LEU CB C 13 39.802 0.007 . 1 . . . A 30 LEU CB . 17705 1 277 . 1 1 64 64 LEU CD1 C 13 21.721 0.000 . 2 . . . A 30 LEU CD1 . 17705 1 278 . 1 1 64 64 LEU CD2 C 13 23.040 0.000 . 2 . . . A 30 LEU CD2 . 17705 1 279 . 1 1 64 64 LEU N N 15 119.247 0.003 . 1 . . . A 30 LEU N . 17705 1 280 . 1 1 65 65 ARG H H 1 8.547 0.004 . 1 . . . A 31 ARG H . 17705 1 281 . 1 1 65 65 ARG HA H 1 3.640 0.001 . 1 . . . A 31 ARG HA . 17705 1 282 . 1 1 65 65 ARG HB2 H 1 1.923 0.005 . 2 . . . A 31 ARG HB2 . 17705 1 283 . 1 1 65 65 ARG HB3 H 1 1.923 0.005 . 2 . . . A 31 ARG HB3 . 17705 1 284 . 1 1 65 65 ARG HG2 H 1 1.372 0.005 . 2 . . . A 31 ARG HG2 . 17705 1 285 . 1 1 65 65 ARG HG3 H 1 1.476 0.006 . 2 . . . A 31 ARG HG3 . 17705 1 286 . 1 1 65 65 ARG HD2 H 1 3.132 0.002 . 2 . . . A 31 ARG HD2 . 17705 1 287 . 1 1 65 65 ARG HD3 H 1 3.281 0.001 . 2 . . . A 31 ARG HD3 . 17705 1 288 . 1 1 65 65 ARG HE H 1 7.513 0.007 . 1 . . . A 31 ARG HE . 17705 1 289 . 1 1 65 65 ARG CA C 13 58.315 0.000 . 1 . . . A 31 ARG CA . 17705 1 290 . 1 1 65 65 ARG CB C 13 27.554 0.000 . 1 . . . A 31 ARG CB . 17705 1 291 . 1 1 65 65 ARG CG C 13 25.278 0.021 . 1 . . . A 31 ARG CG . 17705 1 292 . 1 1 65 65 ARG CD C 13 40.524 0.001 . 1 . . . A 31 ARG CD . 17705 1 293 . 1 1 65 65 ARG N N 15 118.798 0.012 . 1 . . . A 31 ARG N . 17705 1 294 . 1 1 65 65 ARG NE N 15 84.102 0.000 . 1 . . . A 31 ARG NE . 17705 1 295 . 1 1 66 66 ARG H H 1 7.732 0.003 . 1 . . . A 32 ARG H . 17705 1 296 . 1 1 66 66 ARG HA H 1 4.062 0.002 . 1 . . . A 32 ARG HA . 17705 1 297 . 1 1 66 66 ARG HB2 H 1 1.948 0.000 . 2 . . . A 32 ARG HB2 . 17705 1 298 . 1 1 66 66 ARG HB3 H 1 1.948 0.000 . 2 . . . A 32 ARG HB3 . 17705 1 299 . 1 1 66 66 ARG HG2 H 1 1.681 0.005 . 2 . . . A 32 ARG HG2 . 17705 1 300 . 1 1 66 66 ARG HG3 H 1 1.787 0.001 . 2 . . . A 32 ARG HG3 . 17705 1 301 . 1 1 66 66 ARG HD2 H 1 3.197 0.001 . 2 . . . A 32 ARG HD2 . 17705 1 302 . 1 1 66 66 ARG HD3 H 1 3.197 0.001 . 2 . . . A 32 ARG HD3 . 17705 1 303 . 1 1 66 66 ARG CA C 13 56.686 0.000 . 1 . . . A 32 ARG CA . 17705 1 304 . 1 1 66 66 ARG CG C 13 25.166 0.011 . 1 . . . A 32 ARG CG . 17705 1 305 . 1 1 66 66 ARG CD C 13 40.498 0.000 . 1 . . . A 32 ARG CD . 17705 1 306 . 1 1 66 66 ARG N N 15 116.038 0.003 . 1 . . . A 32 ARG N . 17705 1 307 . 1 1 67 67 VAL H H 1 7.837 0.001 . 1 . . . A 33 VAL H . 17705 1 308 . 1 1 67 67 VAL HA H 1 3.844 0.003 . 1 . . . A 33 VAL HA . 17705 1 309 . 1 1 67 67 VAL HB H 1 2.173 0.004 . 1 . . . A 33 VAL HB . 17705 1 310 . 1 1 67 67 VAL HG11 H 1 0.756 0.003 . 2 . . . A 33 VAL HG11 . 17705 1 311 . 1 1 67 67 VAL HG12 H 1 0.756 0.003 . 2 . . . A 33 VAL HG12 . 17705 1 312 . 1 1 67 67 VAL HG13 H 1 0.756 0.003 . 2 . . . A 33 VAL HG13 . 17705 1 313 . 1 1 67 67 VAL HG21 H 1 1.065 0.004 . 2 . . . A 33 VAL HG21 . 17705 1 314 . 1 1 67 67 VAL HG22 H 1 1.065 0.004 . 2 . . . A 33 VAL HG22 . 17705 1 315 . 1 1 67 67 VAL HG23 H 1 1.065 0.004 . 2 . . . A 33 VAL HG23 . 17705 1 316 . 1 1 67 67 VAL CA C 13 62.730 0.008 . 1 . . . A 33 VAL CA . 17705 1 317 . 1 1 67 67 VAL CB C 13 29.490 0.000 . 1 . . . A 33 VAL CB . 17705 1 318 . 1 1 67 67 VAL CG1 C 13 18.751 0.000 . 2 . . . A 33 VAL CG1 . 17705 1 319 . 1 1 67 67 VAL CG2 C 13 19.500 0.000 . 2 . . . A 33 VAL CG2 . 17705 1 320 . 1 1 67 67 VAL N N 15 115.825 0.002 . 1 . . . A 33 VAL N . 17705 1 321 . 1 1 68 68 PHE H H 1 8.194 0.006 . 1 . . . A 34 PHE H . 17705 1 322 . 1 1 68 68 PHE HA H 1 4.497 0.005 . 1 . . . A 34 PHE HA . 17705 1 323 . 1 1 68 68 PHE HB2 H 1 2.997 0.003 . 2 . . . A 34 PHE HB2 . 17705 1 324 . 1 1 68 68 PHE HB3 H 1 3.193 0.004 . 2 . . . A 34 PHE HB3 . 17705 1 325 . 1 1 68 68 PHE HD1 H 1 7.716 0.002 . 3 . . . A 34 PHE HD1 . 17705 1 326 . 1 1 68 68 PHE HD2 H 1 7.716 0.002 . 3 . . . A 34 PHE HD2 . 17705 1 327 . 1 1 68 68 PHE HE1 H 1 6.992 0.003 . 3 . . . A 34 PHE HE1 . 17705 1 328 . 1 1 68 68 PHE HE2 H 1 6.992 0.003 . 3 . . . A 34 PHE HE2 . 17705 1 329 . 1 1 68 68 PHE HZ H 1 6.962 0.008 . 1 . . . A 34 PHE HZ . 17705 1 330 . 1 1 68 68 PHE CA C 13 60.254 0.000 . 1 . . . A 34 PHE CA . 17705 1 331 . 1 1 68 68 PHE CB C 13 36.260 0.047 . 1 . . . A 34 PHE CB . 17705 1 332 . 1 1 68 68 PHE CD1 C 13 131.840 0.011 . 3 . . . A 34 PHE CD1 . 17705 1 333 . 1 1 68 68 PHE CE1 C 13 130.427 0.002 . 3 . . . A 34 PHE CE1 . 17705 1 334 . 1 1 68 68 PHE CZ C 13 128.663 0.011 . 1 . . . A 34 PHE CZ . 17705 1 335 . 1 1 68 68 PHE N N 15 116.175 0.006 . 1 . . . A 34 PHE N . 17705 1 336 . 1 1 69 69 GLU H H 1 8.669 0.006 . 1 . . . A 35 GLU H . 17705 1 337 . 1 1 69 69 GLU HA H 1 5.049 0.001 . 1 . . . A 35 GLU HA . 17705 1 338 . 1 1 69 69 GLU HB2 H 1 2.069 0.002 . 2 . . . A 35 GLU HB2 . 17705 1 339 . 1 1 69 69 GLU HB3 H 1 2.243 0.001 . 2 . . . A 35 GLU HB3 . 17705 1 340 . 1 1 69 69 GLU HG2 H 1 2.441 0.006 . 2 . . . A 35 GLU HG2 . 17705 1 341 . 1 1 69 69 GLU HG3 H 1 2.516 0.002 . 2 . . . A 35 GLU HG3 . 17705 1 342 . 1 1 69 69 GLU CA C 13 54.911 0.000 . 1 . . . A 35 GLU CA . 17705 1 343 . 1 1 69 69 GLU CB C 13 26.222 0.010 . 1 . . . A 35 GLU CB . 17705 1 344 . 1 1 69 69 GLU CG C 13 34.592 0.020 . 1 . . . A 35 GLU CG . 17705 1 345 . 1 1 69 69 GLU N N 15 119.377 0.004 . 1 . . . A 35 GLU N . 17705 1 346 . 1 1 70 70 LYS H H 1 6.866 0.002 . 1 . . . A 36 LYS H . 17705 1 347 . 1 1 70 70 LYS HA H 1 3.872 0.005 . 1 . . . A 36 LYS HA . 17705 1 348 . 1 1 70 70 LYS HB2 H 1 1.123 0.000 . 2 . . . A 36 LYS HB2 . 17705 1 349 . 1 1 70 70 LYS HB3 H 1 1.413 0.009 . 2 . . . A 36 LYS HB3 . 17705 1 350 . 1 1 70 70 LYS HG2 H 1 0.949 0.001 . 2 . . . A 36 LYS HG2 . 17705 1 351 . 1 1 70 70 LYS HG3 H 1 1.125 0.000 . 2 . . . A 36 LYS HG3 . 17705 1 352 . 1 1 70 70 LYS HD2 H 1 1.497 0.026 . 2 . . . A 36 LYS HD2 . 17705 1 353 . 1 1 70 70 LYS HD3 H 1 1.522 0.000 . 2 . . . A 36 LYS HD3 . 17705 1 354 . 1 1 70 70 LYS HE2 H 1 2.851 0.007 . 2 . . . A 36 LYS HE2 . 17705 1 355 . 1 1 70 70 LYS HE3 H 1 2.851 0.007 . 2 . . . A 36 LYS HE3 . 17705 1 356 . 1 1 70 70 LYS CA C 13 55.479 0.000 . 1 . . . A 36 LYS CA . 17705 1 357 . 1 1 70 70 LYS CB C 13 29.220 0.002 . 1 . . . A 36 LYS CB . 17705 1 358 . 1 1 70 70 LYS CG C 13 21.648 0.000 . 1 . . . A 36 LYS CG . 17705 1 359 . 1 1 70 70 LYS CD C 13 26.144 0.018 . 1 . . . A 36 LYS CD . 17705 1 360 . 1 1 70 70 LYS CE C 13 39.310 0.000 . 1 . . . A 36 LYS CE . 17705 1 361 . 1 1 70 70 LYS N N 15 118.371 0.017 . 1 . . . A 36 LYS N . 17705 1 362 . 1 1 71 71 TYR H H 1 7.637 0.001 . 1 . . . A 37 TYR H . 17705 1 363 . 1 1 71 71 TYR HA H 1 4.313 0.002 . 1 . . . A 37 TYR HA . 17705 1 364 . 1 1 71 71 TYR HB2 H 1 2.809 0.005 . 2 . . . A 37 TYR HB2 . 17705 1 365 . 1 1 71 71 TYR HB3 H 1 3.355 0.005 . 2 . . . A 37 TYR HB3 . 17705 1 366 . 1 1 71 71 TYR HD1 H 1 7.221 0.004 . 3 . . . A 37 TYR HD1 . 17705 1 367 . 1 1 71 71 TYR HD2 H 1 7.221 0.004 . 3 . . . A 37 TYR HD2 . 17705 1 368 . 1 1 71 71 TYR HE1 H 1 6.604 0.004 . 3 . . . A 37 TYR HE1 . 17705 1 369 . 1 1 71 71 TYR HE2 H 1 6.604 0.004 . 3 . . . A 37 TYR HE2 . 17705 1 370 . 1 1 71 71 TYR CA C 13 56.131 0.000 . 1 . . . A 37 TYR CA . 17705 1 371 . 1 1 71 71 TYR CB C 13 36.762 0.015 . 1 . . . A 37 TYR CB . 17705 1 372 . 1 1 71 71 TYR CD1 C 13 132.628 0.002 . 3 . . . A 37 TYR CD1 . 17705 1 373 . 1 1 71 71 TYR CE1 C 13 118.364 0.026 . 3 . . . A 37 TYR CE1 . 17705 1 374 . 1 1 71 71 TYR N N 15 115.053 0.012 . 1 . . . A 37 TYR N . 17705 1 375 . 1 1 72 72 GLY H H 1 7.353 0.003 . 1 . . . A 38 GLY H . 17705 1 376 . 1 1 72 72 GLY HA2 H 1 3.824 0.001 . 2 . . . A 38 GLY HA2 . 17705 1 377 . 1 1 72 72 GLY HA3 H 1 4.672 0.000 . 2 . . . A 38 GLY HA3 . 17705 1 378 . 1 1 72 72 GLY CA C 13 41.693 0.000 . 1 . . . A 38 GLY CA . 17705 1 379 . 1 1 72 72 GLY N N 15 104.732 0.004 . 1 . . . A 38 GLY N . 17705 1 380 . 1 1 73 73 ARG H H 1 7.975 0.001 . 1 . . . A 39 ARG H . 17705 1 381 . 1 1 73 73 ARG HA H 1 4.326 0.004 . 1 . . . A 39 ARG HA . 17705 1 382 . 1 1 73 73 ARG HB2 H 1 1.743 0.010 . 2 . . . A 39 ARG HB2 . 17705 1 383 . 1 1 73 73 ARG HB3 H 1 1.847 0.000 . 2 . . . A 39 ARG HB3 . 17705 1 384 . 1 1 73 73 ARG HG2 H 1 1.578 0.006 . 2 . . . A 39 ARG HG2 . 17705 1 385 . 1 1 73 73 ARG HG3 H 1 1.712 0.000 . 2 . . . A 39 ARG HG3 . 17705 1 386 . 1 1 73 73 ARG HD2 H 1 3.101 0.000 . 2 . . . A 39 ARG HD2 . 17705 1 387 . 1 1 73 73 ARG HD3 H 1 3.101 0.000 . 2 . . . A 39 ARG HD3 . 17705 1 388 . 1 1 73 73 ARG CA C 13 54.564 0.000 . 1 . . . A 39 ARG CA . 17705 1 389 . 1 1 73 73 ARG CB C 13 27.851 0.001 . 1 . . . A 39 ARG CB . 17705 1 390 . 1 1 73 73 ARG CG C 13 24.307 0.009 . 1 . . . A 39 ARG CG . 17705 1 391 . 1 1 73 73 ARG N N 15 115.823 0.003 . 1 . . . A 39 ARG N . 17705 1 392 . 1 1 74 74 VAL H H 1 8.826 0.006 . 1 . . . A 40 VAL H . 17705 1 393 . 1 1 74 74 VAL HA H 1 3.691 0.014 . 1 . . . A 40 VAL HA . 17705 1 394 . 1 1 74 74 VAL HB H 1 1.838 0.000 . 1 . . . A 40 VAL HB . 17705 1 395 . 1 1 74 74 VAL HG11 H 1 0.423 0.007 . 2 . . . A 40 VAL HG11 . 17705 1 396 . 1 1 74 74 VAL HG12 H 1 0.423 0.007 . 2 . . . A 40 VAL HG12 . 17705 1 397 . 1 1 74 74 VAL HG13 H 1 0.423 0.007 . 2 . . . A 40 VAL HG13 . 17705 1 398 . 1 1 74 74 VAL HG21 H 1 0.496 0.002 . 2 . . . A 40 VAL HG21 . 17705 1 399 . 1 1 74 74 VAL HG22 H 1 0.496 0.002 . 2 . . . A 40 VAL HG22 . 17705 1 400 . 1 1 74 74 VAL HG23 H 1 0.496 0.002 . 2 . . . A 40 VAL HG23 . 17705 1 401 . 1 1 74 74 VAL CA C 13 59.277 0.000 . 1 . . . A 40 VAL CA . 17705 1 402 . 1 1 74 74 VAL CB C 13 30.718 0.000 . 1 . . . A 40 VAL CB . 17705 1 403 . 1 1 74 74 VAL CG1 C 13 19.455 0.000 . 2 . . . A 40 VAL CG1 . 17705 1 404 . 1 1 74 74 VAL CG2 C 13 19.605 0.000 . 2 . . . A 40 VAL CG2 . 17705 1 405 . 1 1 74 74 VAL N N 15 129.287 0.003 . 1 . . . A 40 VAL N . 17705 1 406 . 1 1 75 75 GLY H H 1 9.023 0.002 . 1 . . . A 41 GLY H . 17705 1 407 . 1 1 75 75 GLY HA2 H 1 3.310 0.004 . 2 . . . A 41 GLY HA2 . 17705 1 408 . 1 1 75 75 GLY HA3 H 1 4.269 0.011 . 2 . . . A 41 GLY HA3 . 17705 1 409 . 1 1 75 75 GLY CA C 13 43.210 0.003 . 1 . . . A 41 GLY CA . 17705 1 410 . 1 1 75 75 GLY N N 15 115.247 0.009 . 1 . . . A 41 GLY N . 17705 1 411 . 1 1 76 76 ASP H H 1 7.375 0.004 . 1 . . . A 42 ASP H . 17705 1 412 . 1 1 76 76 ASP HA H 1 4.647 0.009 . 1 . . . A 42 ASP HA . 17705 1 413 . 1 1 76 76 ASP HB2 H 1 2.193 0.012 . 2 . . . A 42 ASP HB2 . 17705 1 414 . 1 1 76 76 ASP HB3 H 1 2.685 0.006 . 2 . . . A 42 ASP HB3 . 17705 1 415 . 1 1 76 76 ASP CB C 13 41.581 0.009 . 1 . . . A 42 ASP CB . 17705 1 416 . 1 1 76 76 ASP N N 15 117.313 0.004 . 1 . . . A 42 ASP N . 17705 1 417 . 1 1 77 77 VAL H H 1 7.799 0.004 . 1 . . . A 43 VAL H . 17705 1 418 . 1 1 77 77 VAL HA H 1 4.643 0.000 . 1 . . . A 43 VAL HA . 17705 1 419 . 1 1 77 77 VAL HB H 1 1.900 0.004 . 1 . . . A 43 VAL HB . 17705 1 420 . 1 1 77 77 VAL HG11 H 1 0.798 0.005 . 2 . . . A 43 VAL HG11 . 17705 1 421 . 1 1 77 77 VAL HG12 H 1 0.798 0.005 . 2 . . . A 43 VAL HG12 . 17705 1 422 . 1 1 77 77 VAL HG13 H 1 0.798 0.005 . 2 . . . A 43 VAL HG13 . 17705 1 423 . 1 1 77 77 VAL HG21 H 1 0.849 0.001 . 2 . . . A 43 VAL HG21 . 17705 1 424 . 1 1 77 77 VAL HG22 H 1 0.849 0.001 . 2 . . . A 43 VAL HG22 . 17705 1 425 . 1 1 77 77 VAL HG23 H 1 0.849 0.001 . 2 . . . A 43 VAL HG23 . 17705 1 426 . 1 1 77 77 VAL CB C 13 32.042 0.000 . 1 . . . A 43 VAL CB . 17705 1 427 . 1 1 77 77 VAL CG1 C 13 18.977 0.000 . 2 . . . A 43 VAL CG1 . 17705 1 428 . 1 1 77 77 VAL CG2 C 13 19.311 0.000 . 2 . . . A 43 VAL CG2 . 17705 1 429 . 1 1 77 77 VAL N N 15 121.209 0.012 . 1 . . . A 43 VAL N . 17705 1 430 . 1 1 78 78 TYR H H 1 9.056 0.005 . 1 . . . A 44 TYR H . 17705 1 431 . 1 1 78 78 TYR HA H 1 5.054 0.003 . 1 . . . A 44 TYR HA . 17705 1 432 . 1 1 78 78 TYR HB2 H 1 2.782 0.003 . 2 . . . A 44 TYR HB2 . 17705 1 433 . 1 1 78 78 TYR HB3 H 1 3.144 0.006 . 2 . . . A 44 TYR HB3 . 17705 1 434 . 1 1 78 78 TYR HD1 H 1 7.057 0.002 . 3 . . . A 44 TYR HD1 . 17705 1 435 . 1 1 78 78 TYR HD2 H 1 7.057 0.002 . 3 . . . A 44 TYR HD2 . 17705 1 436 . 1 1 78 78 TYR HE1 H 1 6.766 0.007 . 3 . . . A 44 TYR HE1 . 17705 1 437 . 1 1 78 78 TYR HE2 H 1 6.766 0.007 . 3 . . . A 44 TYR HE2 . 17705 1 438 . 1 1 78 78 TYR CA C 13 52.893 0.000 . 1 . . . A 44 TYR CA . 17705 1 439 . 1 1 78 78 TYR CB C 13 38.774 0.019 . 1 . . . A 44 TYR CB . 17705 1 440 . 1 1 78 78 TYR CD2 C 13 132.741 0.000 . 3 . . . A 44 TYR CD2 . 17705 1 441 . 1 1 78 78 TYR CE2 C 13 118.001 0.035 . 3 . . . A 44 TYR CE2 . 17705 1 442 . 1 1 78 78 TYR N N 15 127.478 0.009 . 1 . . . A 44 TYR N . 17705 1 443 . 1 1 79 79 ILE H H 1 8.484 0.012 . 1 . . . A 45 ILE H . 17705 1 444 . 1 1 79 79 ILE HA H 1 4.397 0.003 . 1 . . . A 45 ILE HA . 17705 1 445 . 1 1 79 79 ILE HB H 1 1.658 0.005 . 1 . . . A 45 ILE HB . 17705 1 446 . 1 1 79 79 ILE HG12 H 1 1.276 0.002 . 2 . . . A 45 ILE HG12 . 17705 1 447 . 1 1 79 79 ILE HG13 H 1 1.276 0.002 . 2 . . . A 45 ILE HG13 . 17705 1 448 . 1 1 79 79 ILE HG21 H 1 0.707 0.006 . 2 . . . A 45 ILE HG21 . 17705 1 449 . 1 1 79 79 ILE HG22 H 1 0.707 0.006 . 2 . . . A 45 ILE HG22 . 17705 1 450 . 1 1 79 79 ILE HG23 H 1 0.707 0.006 . 2 . . . A 45 ILE HG23 . 17705 1 451 . 1 1 79 79 ILE HD11 H 1 0.555 0.002 . 2 . . . A 45 ILE HD11 . 17705 1 452 . 1 1 79 79 ILE HD12 H 1 0.555 0.002 . 2 . . . A 45 ILE HD12 . 17705 1 453 . 1 1 79 79 ILE HD13 H 1 0.555 0.002 . 2 . . . A 45 ILE HD13 . 17705 1 454 . 1 1 79 79 ILE CA C 13 55.655 0.000 . 1 . . . A 45 ILE CA . 17705 1 455 . 1 1 79 79 ILE CB C 13 36.370 0.000 . 1 . . . A 45 ILE CB . 17705 1 456 . 1 1 79 79 ILE CG1 C 13 24.588 0.000 . 1 . . . A 45 ILE CG1 . 17705 1 457 . 1 1 79 79 ILE CG2 C 13 14.027 0.000 . 1 . . . A 45 ILE CG2 . 17705 1 458 . 1 1 79 79 ILE CD1 C 13 10.665 0.000 . 1 . . . A 45 ILE CD1 . 17705 1 459 . 1 1 79 79 ILE N N 15 128.848 0.011 . 1 . . . A 45 ILE N . 17705 1 460 . 1 1 80 80 PRO HA H 1 4.059 0.015 . 1 . . . A 46 PRO HA . 17705 1 461 . 1 1 80 80 PRO HB2 H 1 2.173 0.002 . 2 . . . A 46 PRO HB2 . 17705 1 462 . 1 1 80 80 PRO HB3 H 1 2.173 0.002 . 2 . . . A 46 PRO HB3 . 17705 1 463 . 1 1 80 80 PRO HG2 H 1 1.585 0.001 . 2 . . . A 46 PRO HG2 . 17705 1 464 . 1 1 80 80 PRO HG3 H 1 1.585 0.001 . 2 . . . A 46 PRO HG3 . 17705 1 465 . 1 1 80 80 PRO HD2 H 1 3.064 0.004 . 2 . . . A 46 PRO HD2 . 17705 1 466 . 1 1 80 80 PRO HD3 H 1 3.348 0.006 . 2 . . . A 46 PRO HD3 . 17705 1 467 . 1 1 80 80 PRO CA C 13 59.761 0.000 . 1 . . . A 46 PRO CA . 17705 1 468 . 1 1 80 80 PRO CG C 13 25.298 0.000 . 1 . . . A 46 PRO CG . 17705 1 469 . 1 1 80 80 PRO CD C 13 47.699 0.007 . 1 . . . A 46 PRO CD . 17705 1 470 . 1 1 81 81 ARG H H 1 8.131 0.006 . 1 . . . A 47 ARG H . 17705 1 471 . 1 1 81 81 ARG HA H 1 4.436 0.000 . 1 . . . A 47 ARG HA . 17705 1 472 . 1 1 81 81 ARG HB2 H 1 1.394 0.010 . 2 . . . A 47 ARG HB2 . 17705 1 473 . 1 1 81 81 ARG HB3 H 1 1.472 0.002 . 2 . . . A 47 ARG HB3 . 17705 1 474 . 1 1 81 81 ARG HG2 H 1 1.335 0.009 . 2 . . . A 47 ARG HG2 . 17705 1 475 . 1 1 81 81 ARG HG3 H 1 1.564 0.000 . 2 . . . A 47 ARG HG3 . 17705 1 476 . 1 1 81 81 ARG HD2 H 1 3.036 0.004 . 2 . . . A 47 ARG HD2 . 17705 1 477 . 1 1 81 81 ARG HD3 H 1 3.036 0.004 . 2 . . . A 47 ARG HD3 . 17705 1 478 . 1 1 81 81 ARG CB C 13 29.974 0.018 . 1 . . . A 47 ARG CB . 17705 1 479 . 1 1 81 81 ARG CG C 13 24.629 0.000 . 1 . . . A 47 ARG CG . 17705 1 480 . 1 1 81 81 ARG N N 15 119.796 0.007 . 1 . . . A 47 ARG N . 17705 1 481 . 1 1 82 82 ASP H H 1 8.511 0.007 . 1 . . . A 48 ASP H . 17705 1 482 . 1 1 82 82 ASP HA H 1 4.437 0.001 . 1 . . . A 48 ASP HA . 17705 1 483 . 1 1 82 82 ASP HB2 H 1 2.551 0.001 . 2 . . . A 48 ASP HB2 . 17705 1 484 . 1 1 82 82 ASP HB3 H 1 2.905 0.007 . 2 . . . A 48 ASP HB3 . 17705 1 485 . 1 1 82 82 ASP CA C 13 51.648 0.000 . 1 . . . A 48 ASP CA . 17705 1 486 . 1 1 82 82 ASP CB C 13 40.354 0.012 . 1 . . . A 48 ASP CB . 17705 1 487 . 1 1 82 82 ASP N N 15 122.427 0.003 . 1 . . . A 48 ASP N . 17705 1 488 . 1 1 83 83 ARG H H 1 8.546 0.014 . 1 . . . A 49 ARG H . 17705 1 489 . 1 1 83 83 ARG HA H 1 3.999 0.006 . 1 . . . A 49 ARG HA . 17705 1 490 . 1 1 83 83 ARG HB2 H 1 1.550 0.003 . 2 . . . A 49 ARG HB2 . 17705 1 491 . 1 1 83 83 ARG HB3 H 1 1.670 0.001 . 2 . . . A 49 ARG HB3 . 17705 1 492 . 1 1 83 83 ARG HG2 H 1 1.197 0.000 . 2 . . . A 49 ARG HG2 . 17705 1 493 . 1 1 83 83 ARG HG3 H 1 1.283 0.001 . 2 . . . A 49 ARG HG3 . 17705 1 494 . 1 1 83 83 ARG HD2 H 1 3.008 0.005 . 2 . . . A 49 ARG HD2 . 17705 1 495 . 1 1 83 83 ARG HD3 H 1 3.008 0.005 . 2 . . . A 49 ARG HD3 . 17705 1 496 . 1 1 83 83 ARG CB C 13 27.658 0.013 . 1 . . . A 49 ARG CB . 17705 1 497 . 1 1 83 83 ARG CG C 13 23.852 0.015 . 1 . . . A 49 ARG CG . 17705 1 498 . 1 1 83 83 ARG CD C 13 40.666 0.000 . 1 . . . A 49 ARG CD . 17705 1 499 . 1 1 83 83 ARG N N 15 124.150 0.040 . 1 . . . A 49 ARG N . 17705 1 500 . 1 1 84 84 TYR H H 1 8.376 0.009 . 1 . . . A 50 TYR H . 17705 1 501 . 1 1 84 84 TYR HA H 1 4.653 0.002 . 1 . . . A 50 TYR HA . 17705 1 502 . 1 1 84 84 TYR HB2 H 1 3.058 0.002 . 2 . . . A 50 TYR HB2 . 17705 1 503 . 1 1 84 84 TYR HB3 H 1 3.157 0.003 . 2 . . . A 50 TYR HB3 . 17705 1 504 . 1 1 84 84 TYR HD1 H 1 7.181 0.003 . 3 . . . A 50 TYR HD1 . 17705 1 505 . 1 1 84 84 TYR HD2 H 1 7.181 0.003 . 3 . . . A 50 TYR HD2 . 17705 1 506 . 1 1 84 84 TYR HE1 H 1 6.763 0.003 . 3 . . . A 50 TYR HE1 . 17705 1 507 . 1 1 84 84 TYR HE2 H 1 6.763 0.003 . 3 . . . A 50 TYR HE2 . 17705 1 508 . 1 1 84 84 TYR CB C 13 35.932 0.007 . 1 . . . A 50 TYR CB . 17705 1 509 . 1 1 84 84 TYR CD2 C 13 133.107 0.001 . 3 . . . A 50 TYR CD2 . 17705 1 510 . 1 1 84 84 TYR N N 15 118.236 0.014 . 1 . . . A 50 TYR N . 17705 1 511 . 1 1 85 85 THR H H 1 8.790 0.015 . 1 . . . A 51 THR H . 17705 1 512 . 1 1 85 85 THR HA H 1 4.306 0.004 . 1 . . . A 51 THR HA . 17705 1 513 . 1 1 85 85 THR HB H 1 4.398 0.017 . 1 . . . A 51 THR HB . 17705 1 514 . 1 1 85 85 THR HG21 H 1 1.245 0.004 . 2 . . . A 51 THR HG21 . 17705 1 515 . 1 1 85 85 THR HG22 H 1 1.245 0.004 . 2 . . . A 51 THR HG22 . 17705 1 516 . 1 1 85 85 THR HG23 H 1 1.245 0.004 . 2 . . . A 51 THR HG23 . 17705 1 517 . 1 1 85 85 THR CA C 13 59.280 0.000 . 1 . . . A 51 THR CA . 17705 1 518 . 1 1 85 85 THR CB C 13 67.748 0.000 . 1 . . . A 51 THR CB . 17705 1 519 . 1 1 85 85 THR CG2 C 13 18.867 0.000 . 1 . . . A 51 THR CG2 . 17705 1 520 . 1 1 85 85 THR N N 15 111.445 0.042 . 1 . . . A 51 THR N . 17705 1 521 . 1 1 86 86 LYS H H 1 7.947 0.005 . 1 . . . A 52 LYS H . 17705 1 522 . 1 1 86 86 LYS HA H 1 3.986 0.002 . 1 . . . A 52 LYS HA . 17705 1 523 . 1 1 86 86 LYS HB2 H 1 1.954 0.000 . 2 . . . A 52 LYS HB2 . 17705 1 524 . 1 1 86 86 LYS HB3 H 1 2.030 0.000 . 2 . . . A 52 LYS HB3 . 17705 1 525 . 1 1 86 86 LYS HG2 H 1 1.276 0.000 . 2 . . . A 52 LYS HG2 . 17705 1 526 . 1 1 86 86 LYS HG3 H 1 1.328 0.001 . 2 . . . A 52 LYS HG3 . 17705 1 527 . 1 1 86 86 LYS HD2 H 1 1.563 0.000 . 2 . . . A 52 LYS HD2 . 17705 1 528 . 1 1 86 86 LYS HD3 H 1 1.612 0.000 . 2 . . . A 52 LYS HD3 . 17705 1 529 . 1 1 86 86 LYS CA C 13 55.190 0.000 . 1 . . . A 52 LYS CA . 17705 1 530 . 1 1 86 86 LYS CG C 13 22.462 0.003 . 1 . . . A 52 LYS CG . 17705 1 531 . 1 1 86 86 LYS CD C 13 26.276 0.006 . 1 . . . A 52 LYS CD . 17705 1 532 . 1 1 86 86 LYS N N 15 115.778 0.000 . 1 . . . A 52 LYS N . 17705 1 533 . 1 1 87 87 GLU H H 1 7.881 0.003 . 1 . . . A 53 GLU H . 17705 1 534 . 1 1 87 87 GLU HA H 1 4.322 0.002 . 1 . . . A 53 GLU HA . 17705 1 535 . 1 1 87 87 GLU HB2 H 1 1.804 0.002 . 2 . . . A 53 GLU HB2 . 17705 1 536 . 1 1 87 87 GLU HB3 H 1 2.018 0.001 . 2 . . . A 53 GLU HB3 . 17705 1 537 . 1 1 87 87 GLU HG2 H 1 2.229 0.001 . 2 . . . A 53 GLU HG2 . 17705 1 538 . 1 1 87 87 GLU HG3 H 1 2.229 0.001 . 2 . . . A 53 GLU HG3 . 17705 1 539 . 1 1 87 87 GLU CB C 13 28.361 0.026 . 1 . . . A 53 GLU CB . 17705 1 540 . 1 1 87 87 GLU CG C 13 33.570 0.000 . 1 . . . A 53 GLU CG . 17705 1 541 . 1 1 87 87 GLU N N 15 118.931 0.003 . 1 . . . A 53 GLU N . 17705 1 542 . 1 1 88 88 SER H H 1 8.472 0.013 . 1 . . . A 54 SER H . 17705 1 543 . 1 1 88 88 SER HA H 1 4.324 0.001 . 1 . . . A 54 SER HA . 17705 1 544 . 1 1 88 88 SER HB2 H 1 3.800 0.004 . 2 . . . A 54 SER HB2 . 17705 1 545 . 1 1 88 88 SER HB3 H 1 3.966 0.005 . 2 . . . A 54 SER HB3 . 17705 1 546 . 1 1 88 88 SER CA C 13 55.543 0.000 . 1 . . . A 54 SER CA . 17705 1 547 . 1 1 88 88 SER CB C 13 61.291 0.034 . 1 . . . A 54 SER CB . 17705 1 548 . 1 1 88 88 SER N N 15 116.268 0.007 . 1 . . . A 54 SER N . 17705 1 549 . 1 1 89 89 ARG H H 1 8.121 0.005 . 1 . . . A 55 ARG H . 17705 1 550 . 1 1 89 89 ARG HA H 1 4.333 0.000 . 1 . . . A 55 ARG HA . 17705 1 551 . 1 1 89 89 ARG HB2 H 1 1.361 0.003 . 2 . . . A 55 ARG HB2 . 17705 1 552 . 1 1 89 89 ARG HB3 H 1 2.063 0.010 . 2 . . . A 55 ARG HB3 . 17705 1 553 . 1 1 89 89 ARG HG2 H 1 1.524 0.000 . 2 . . . A 55 ARG HG2 . 17705 1 554 . 1 1 89 89 ARG HG3 H 1 1.524 0.000 . 2 . . . A 55 ARG HG3 . 17705 1 555 . 1 1 89 89 ARG HD2 H 1 3.036 0.002 . 2 . . . A 55 ARG HD2 . 17705 1 556 . 1 1 89 89 ARG HD3 H 1 3.036 0.002 . 2 . . . A 55 ARG HD3 . 17705 1 557 . 1 1 89 89 ARG CB C 13 28.239 0.039 . 1 . . . A 55 ARG CB . 17705 1 558 . 1 1 89 89 ARG CG C 13 24.515 0.000 . 1 . . . A 55 ARG CG . 17705 1 559 . 1 1 89 89 ARG CD C 13 40.521 0.000 . 1 . . . A 55 ARG CD . 17705 1 560 . 1 1 89 89 ARG N N 15 121.084 0.006 . 1 . . . A 55 ARG N . 17705 1 561 . 1 1 90 90 GLY H H 1 8.334 0.013 . 1 . . . A 56 GLY H . 17705 1 562 . 1 1 90 90 GLY HA2 H 1 3.673 0.005 . 2 . . . A 56 GLY HA2 . 17705 1 563 . 1 1 90 90 GLY HA3 H 1 4.148 0.008 . 2 . . . A 56 GLY HA3 . 17705 1 564 . 1 1 90 90 GLY CA C 13 43.195 0.005 . 1 . . . A 56 GLY CA . 17705 1 565 . 1 1 91 91 PHE H H 1 6.980 0.002 . 1 . . . A 57 PHE H . 17705 1 566 . 1 1 91 91 PHE HA H 1 5.663 0.008 . 1 . . . A 57 PHE HA . 17705 1 567 . 1 1 91 91 PHE HB2 H 1 2.794 0.004 . 2 . . . A 57 PHE HB2 . 17705 1 568 . 1 1 91 91 PHE HB3 H 1 3.210 0.006 . 2 . . . A 57 PHE HB3 . 17705 1 569 . 1 1 91 91 PHE HD1 H 1 6.689 0.005 . 3 . . . A 57 PHE HD1 . 17705 1 570 . 1 1 91 91 PHE HD2 H 1 6.689 0.005 . 3 . . . A 57 PHE HD2 . 17705 1 571 . 1 1 91 91 PHE HE1 H 1 7.202 0.000 . 3 . . . A 57 PHE HE1 . 17705 1 572 . 1 1 91 91 PHE HE2 H 1 7.202 0.000 . 3 . . . A 57 PHE HE2 . 17705 1 573 . 1 1 91 91 PHE HZ H 1 7.269 0.004 . 1 . . . A 57 PHE HZ . 17705 1 574 . 1 1 91 91 PHE CA C 13 51.884 0.013 . 1 . . . A 57 PHE CA . 17705 1 575 . 1 1 91 91 PHE CB C 13 39.460 0.007 . 1 . . . A 57 PHE CB . 17705 1 576 . 1 1 91 91 PHE CD2 C 13 132.197 0.003 . 3 . . . A 57 PHE CD2 . 17705 1 577 . 1 1 91 91 PHE CZ C 13 129.481 0.000 . 1 . . . A 57 PHE CZ . 17705 1 578 . 1 1 91 91 PHE N N 15 113.361 0.013 . 1 . . . A 57 PHE N . 17705 1 579 . 1 1 92 92 ALA H H 1 8.854 0.005 . 1 . . . A 58 ALA H . 17705 1 580 . 1 1 92 92 ALA HA H 1 4.816 0.002 . 1 . . . A 58 ALA HA . 17705 1 581 . 1 1 92 92 ALA HB1 H 1 0.966 0.005 . 2 . . . A 58 ALA HB1 . 17705 1 582 . 1 1 92 92 ALA HB2 H 1 0.966 0.005 . 2 . . . A 58 ALA HB2 . 17705 1 583 . 1 1 92 92 ALA HB3 H 1 0.966 0.005 . 2 . . . A 58 ALA HB3 . 17705 1 584 . 1 1 92 92 ALA CA C 13 47.169 0.000 . 1 . . . A 58 ALA CA . 17705 1 585 . 1 1 92 92 ALA CB C 13 23.281 0.000 . 1 . . . A 58 ALA CB . 17705 1 586 . 1 1 92 92 ALA N N 15 118.350 0.025 . 1 . . . A 58 ALA N . 17705 1 587 . 1 1 93 93 PHE H H 1 9.011 0.003 . 1 . . . A 59 PHE H . 17705 1 588 . 1 1 93 93 PHE HA H 1 5.791 0.005 . 1 . . . A 59 PHE HA . 17705 1 589 . 1 1 93 93 PHE HB2 H 1 2.787 0.005 . 2 . . . A 59 PHE HB2 . 17705 1 590 . 1 1 93 93 PHE HB3 H 1 2.787 0.005 . 2 . . . A 59 PHE HB3 . 17705 1 591 . 1 1 93 93 PHE HD1 H 1 7.107 0.003 . 3 . . . A 59 PHE HD1 . 17705 1 592 . 1 1 93 93 PHE HD2 H 1 7.107 0.003 . 3 . . . A 59 PHE HD2 . 17705 1 593 . 1 1 93 93 PHE HE1 H 1 7.360 0.005 . 3 . . . A 59 PHE HE1 . 17705 1 594 . 1 1 93 93 PHE HE2 H 1 7.360 0.005 . 3 . . . A 59 PHE HE2 . 17705 1 595 . 1 1 93 93 PHE HZ H 1 7.377 0.003 . 1 . . . A 59 PHE HZ . 17705 1 596 . 1 1 93 93 PHE CA C 13 53.739 0.001 . 1 . . . A 59 PHE CA . 17705 1 597 . 1 1 93 93 PHE CB C 13 38.926 0.000 . 1 . . . A 59 PHE CB . 17705 1 598 . 1 1 93 93 PHE CD1 C 13 131.634 0.003 . 3 . . . A 59 PHE CD1 . 17705 1 599 . 1 1 93 93 PHE CE1 C 13 131.036 0.036 . 3 . . . A 59 PHE CE1 . 17705 1 600 . 1 1 93 93 PHE CZ C 13 129.613 0.000 . 1 . . . A 59 PHE CZ . 17705 1 601 . 1 1 93 93 PHE N N 15 116.210 0.008 . 1 . . . A 59 PHE N . 17705 1 602 . 1 1 94 94 VAL H H 1 8.878 0.004 . 1 . . . A 60 VAL H . 17705 1 603 . 1 1 94 94 VAL HA H 1 4.347 0.003 . 1 . . . A 60 VAL HA . 17705 1 604 . 1 1 94 94 VAL HB H 1 1.394 0.001 . 1 . . . A 60 VAL HB . 17705 1 605 . 1 1 94 94 VAL HG11 H 1 0.279 0.000 . 2 . . . A 60 VAL HG11 . 17705 1 606 . 1 1 94 94 VAL HG12 H 1 0.279 0.000 . 2 . . . A 60 VAL HG12 . 17705 1 607 . 1 1 94 94 VAL HG13 H 1 0.279 0.000 . 2 . . . A 60 VAL HG13 . 17705 1 608 . 1 1 94 94 VAL HG21 H 1 0.290 0.000 . 2 . . . A 60 VAL HG21 . 17705 1 609 . 1 1 94 94 VAL HG22 H 1 0.290 0.000 . 2 . . . A 60 VAL HG22 . 17705 1 610 . 1 1 94 94 VAL HG23 H 1 0.290 0.000 . 2 . . . A 60 VAL HG23 . 17705 1 611 . 1 1 94 94 VAL CA C 13 58.696 0.000 . 1 . . . A 60 VAL CA . 17705 1 612 . 1 1 94 94 VAL CB C 13 31.593 0.000 . 1 . . . A 60 VAL CB . 17705 1 613 . 1 1 94 94 VAL CG1 C 13 17.862 0.000 . 2 . . . A 60 VAL CG1 . 17705 1 614 . 1 1 94 94 VAL CG2 C 13 19.009 0.000 . 2 . . . A 60 VAL CG2 . 17705 1 615 . 1 1 94 94 VAL N N 15 123.082 0.010 . 1 . . . A 60 VAL N . 17705 1 616 . 1 1 95 95 ARG H H 1 8.649 0.003 . 1 . . . A 61 ARG H . 17705 1 617 . 1 1 95 95 ARG HA H 1 5.232 0.006 . 1 . . . A 61 ARG HA . 17705 1 618 . 1 1 95 95 ARG HB2 H 1 1.431 0.000 . 2 . . . A 61 ARG HB2 . 17705 1 619 . 1 1 95 95 ARG HB3 H 1 1.431 0.000 . 2 . . . A 61 ARG HB3 . 17705 1 620 . 1 1 95 95 ARG HG2 H 1 1.713 0.004 . 2 . . . A 61 ARG HG2 . 17705 1 621 . 1 1 95 95 ARG HG3 H 1 1.713 0.004 . 2 . . . A 61 ARG HG3 . 17705 1 622 . 1 1 95 95 ARG HD2 H 1 2.914 0.000 . 2 . . . A 61 ARG HD2 . 17705 1 623 . 1 1 95 95 ARG HD3 H 1 2.914 0.000 . 2 . . . A 61 ARG HD3 . 17705 1 624 . 1 1 95 95 ARG CA C 13 52.185 0.022 . 1 . . . A 61 ARG CA . 17705 1 625 . 1 1 95 95 ARG CD C 13 40.832 0.000 . 1 . . . A 61 ARG CD . 17705 1 626 . 1 1 95 95 ARG N N 15 125.689 0.012 . 1 . . . A 61 ARG N . 17705 1 627 . 1 1 96 96 PHE H H 1 9.152 0.007 . 1 . . . A 62 PHE H . 17705 1 628 . 1 1 96 96 PHE HA H 1 4.829 0.005 . 1 . . . A 62 PHE HA . 17705 1 629 . 1 1 96 96 PHE HB2 H 1 2.782 0.009 . 2 . . . A 62 PHE HB2 . 17705 1 630 . 1 1 96 96 PHE HB3 H 1 3.605 0.007 . 2 . . . A 62 PHE HB3 . 17705 1 631 . 1 1 96 96 PHE HD1 H 1 7.212 0.004 . 3 . . . A 62 PHE HD1 . 17705 1 632 . 1 1 96 96 PHE HD2 H 1 7.212 0.004 . 3 . . . A 62 PHE HD2 . 17705 1 633 . 1 1 96 96 PHE HE1 H 1 7.044 0.007 . 3 . . . A 62 PHE HE1 . 17705 1 634 . 1 1 96 96 PHE HE2 H 1 7.044 0.007 . 3 . . . A 62 PHE HE2 . 17705 1 635 . 1 1 96 96 PHE HZ H 1 7.416 0.003 . 1 . . . A 62 PHE HZ . 17705 1 636 . 1 1 96 96 PHE CA C 13 54.999 0.000 . 1 . . . A 62 PHE CA . 17705 1 637 . 1 1 96 96 PHE CB C 13 39.483 0.010 . 1 . . . A 62 PHE CB . 17705 1 638 . 1 1 96 96 PHE CD2 C 13 131.646 0.039 . 3 . . . A 62 PHE CD2 . 17705 1 639 . 1 1 96 96 PHE CE2 C 13 131.018 0.000 . 3 . . . A 62 PHE CE2 . 17705 1 640 . 1 1 96 96 PHE CZ C 13 129.534 0.000 . 1 . . . A 62 PHE CZ . 17705 1 641 . 1 1 96 96 PHE N N 15 123.552 0.010 . 1 . . . A 62 PHE N . 17705 1 642 . 1 1 97 97 HIS H H 1 7.904 0.000 . 1 . . . A 63 HIS H . 17705 1 643 . 1 1 97 97 HIS HA H 1 4.401 0.000 . 1 . . . A 63 HIS HA . 17705 1 644 . 1 1 97 97 HIS HB2 H 1 3.135 0.011 . 2 . . . A 63 HIS HB2 . 17705 1 645 . 1 1 97 97 HIS HB3 H 1 3.280 0.025 . 2 . . . A 63 HIS HB3 . 17705 1 646 . 1 1 97 97 HIS HD2 H 1 6.813 0.000 . 1 . . . A 63 HIS HD2 . 17705 1 647 . 1 1 97 97 HIS HE1 H 1 8.039 0.000 . 1 . . . A 63 HIS HE1 . 17705 1 648 . 1 1 97 97 HIS CB C 13 27.417 0.000 . 1 . . . A 63 HIS CB . 17705 1 649 . 1 1 97 97 HIS CD2 C 13 119.897 0.001 . 1 . . . A 63 HIS CD2 . 17705 1 650 . 1 1 97 97 HIS CE1 C 13 138.166 0.000 . 1 . . . A 63 HIS CE1 . 17705 1 651 . 1 1 97 97 HIS N N 15 119.487 0.011 . 1 . . . A 63 HIS N . 17705 1 652 . 1 1 98 98 ASP H H 1 9.103 0.002 . 1 . . . A 64 ASP H . 17705 1 653 . 1 1 98 98 ASP HA H 1 5.032 0.007 . 1 . . . A 64 ASP HA . 17705 1 654 . 1 1 98 98 ASP HB2 H 1 2.573 0.001 . 2 . . . A 64 ASP HB2 . 17705 1 655 . 1 1 98 98 ASP HB3 H 1 2.873 0.006 . 2 . . . A 64 ASP HB3 . 17705 1 656 . 1 1 98 98 ASP CA C 13 50.238 0.000 . 1 . . . A 64 ASP CA . 17705 1 657 . 1 1 98 98 ASP CB C 13 41.570 0.006 . 1 . . . A 64 ASP CB . 17705 1 658 . 1 1 98 98 ASP N N 15 119.624 0.005 . 1 . . . A 64 ASP N . 17705 1 659 . 1 1 99 99 LYS H H 1 8.743 0.003 . 1 . . . A 65 LYS H . 17705 1 660 . 1 1 99 99 LYS HA H 1 3.860 0.003 . 1 . . . A 65 LYS HA . 17705 1 661 . 1 1 99 99 LYS HB2 H 1 1.771 0.007 . 2 . . . A 65 LYS HB2 . 17705 1 662 . 1 1 99 99 LYS HB3 H 1 1.920 0.008 . 2 . . . A 65 LYS HB3 . 17705 1 663 . 1 1 99 99 LYS HG2 H 1 1.392 0.002 . 2 . . . A 65 LYS HG2 . 17705 1 664 . 1 1 99 99 LYS HG3 H 1 1.392 0.002 . 2 . . . A 65 LYS HG3 . 17705 1 665 . 1 1 99 99 LYS HD2 H 1 1.622 0.000 . 2 . . . A 65 LYS HD2 . 17705 1 666 . 1 1 99 99 LYS HD3 H 1 1.667 0.000 . 2 . . . A 65 LYS HD3 . 17705 1 667 . 1 1 99 99 LYS HE2 H 1 2.945 0.008 . 2 . . . A 65 LYS HE2 . 17705 1 668 . 1 1 99 99 LYS HE3 H 1 2.945 0.008 . 2 . . . A 65 LYS HE3 . 17705 1 669 . 1 1 99 99 LYS CA C 13 57.124 0.000 . 1 . . . A 65 LYS CA . 17705 1 670 . 1 1 99 99 LYS CB C 13 30.285 0.014 . 1 . . . A 65 LYS CB . 17705 1 671 . 1 1 99 99 LYS CG C 13 21.769 0.000 . 1 . . . A 65 LYS CG . 17705 1 672 . 1 1 99 99 LYS CD C 13 27.099 0.048 . 1 . . . A 65 LYS CD . 17705 1 673 . 1 1 99 99 LYS CE C 13 39.366 0.000 . 1 . . . A 65 LYS CE . 17705 1 674 . 1 1 99 99 LYS N N 15 127.479 0.007 . 1 . . . A 65 LYS N . 17705 1 675 . 1 1 100 100 ARG H H 1 8.604 0.002 . 1 . . . A 66 ARG H . 17705 1 676 . 1 1 100 100 ARG HA H 1 4.063 0.009 . 1 . . . A 66 ARG HA . 17705 1 677 . 1 1 100 100 ARG HB2 H 1 1.826 0.003 . 2 . . . A 66 ARG HB2 . 17705 1 678 . 1 1 100 100 ARG HB3 H 1 1.826 0.003 . 2 . . . A 66 ARG HB3 . 17705 1 679 . 1 1 100 100 ARG HG2 H 1 1.711 0.008 . 2 . . . A 66 ARG HG2 . 17705 1 680 . 1 1 100 100 ARG HG3 H 1 1.711 0.008 . 2 . . . A 66 ARG HG3 . 17705 1 681 . 1 1 100 100 ARG HD2 H 1 3.200 0.006 . 2 . . . A 66 ARG HD2 . 17705 1 682 . 1 1 100 100 ARG HD3 H 1 3.200 0.006 . 2 . . . A 66 ARG HD3 . 17705 1 683 . 1 1 100 100 ARG HE H 1 7.514 0.000 . 1 . . . A 66 ARG HE . 17705 1 684 . 1 1 100 100 ARG CA C 13 56.060 0.047 . 1 . . . A 66 ARG CA . 17705 1 685 . 1 1 100 100 ARG CB C 13 26.773 0.000 . 1 . . . A 66 ARG CB . 17705 1 686 . 1 1 100 100 ARG CG C 13 24.264 0.000 . 1 . . . A 66 ARG CG . 17705 1 687 . 1 1 100 100 ARG N N 15 118.795 0.002 . 1 . . . A 66 ARG N . 17705 1 688 . 1 1 100 100 ARG NE N 15 85.559 0.000 . 1 . . . A 66 ARG NE . 17705 1 689 . 1 1 101 101 ASP H H 1 7.105 0.010 . 1 . . . A 67 ASP H . 17705 1 690 . 1 1 101 101 ASP HA H 1 4.202 0.003 . 1 . . . A 67 ASP HA . 17705 1 691 . 1 1 101 101 ASP HB2 H 1 2.659 0.004 . 2 . . . A 67 ASP HB2 . 17705 1 692 . 1 1 101 101 ASP HB3 H 1 2.954 0.007 . 2 . . . A 67 ASP HB3 . 17705 1 693 . 1 1 101 101 ASP CA C 13 54.218 0.000 . 1 . . . A 67 ASP CA . 17705 1 694 . 1 1 101 101 ASP CB C 13 38.074 0.042 . 1 . . . A 67 ASP CB . 17705 1 695 . 1 1 101 101 ASP N N 15 119.686 0.005 . 1 . . . A 67 ASP N . 17705 1 696 . 1 1 102 102 ALA H H 1 6.848 0.002 . 1 . . . A 68 ALA H . 17705 1 697 . 1 1 102 102 ALA HA H 1 2.826 0.000 . 1 . . . A 68 ALA HA . 17705 1 698 . 1 1 102 102 ALA HB1 H 1 1.228 0.005 . 2 . . . A 68 ALA HB1 . 17705 1 699 . 1 1 102 102 ALA HB2 H 1 1.228 0.005 . 2 . . . A 68 ALA HB2 . 17705 1 700 . 1 1 102 102 ALA HB3 H 1 1.228 0.005 . 2 . . . A 68 ALA HB3 . 17705 1 701 . 1 1 102 102 ALA CA C 13 51.679 0.000 . 1 . . . A 68 ALA CA . 17705 1 702 . 1 1 102 102 ALA CB C 13 15.590 0.000 . 1 . . . A 68 ALA CB . 17705 1 703 . 1 1 102 102 ALA N N 15 119.709 0.002 . 1 . . . A 68 ALA N . 17705 1 704 . 1 1 103 103 GLU H H 1 8.008 0.003 . 1 . . . A 69 GLU H . 17705 1 705 . 1 1 103 103 GLU HA H 1 3.655 0.001 . 1 . . . A 69 GLU HA . 17705 1 706 . 1 1 103 103 GLU HB2 H 1 1.914 0.007 . 2 . . . A 69 GLU HB2 . 17705 1 707 . 1 1 103 103 GLU HB3 H 1 2.106 0.015 . 2 . . . A 69 GLU HB3 . 17705 1 708 . 1 1 103 103 GLU HG2 H 1 2.119 0.023 . 2 . . . A 69 GLU HG2 . 17705 1 709 . 1 1 103 103 GLU HG3 H 1 2.435 0.005 . 2 . . . A 69 GLU HG3 . 17705 1 710 . 1 1 103 103 GLU CA C 13 57.169 0.000 . 1 . . . A 69 GLU CA . 17705 1 711 . 1 1 103 103 GLU CB C 13 26.500 0.001 . 1 . . . A 69 GLU CB . 17705 1 712 . 1 1 103 103 GLU CG C 13 34.133 0.000 . 1 . . . A 69 GLU CG . 17705 1 713 . 1 1 103 103 GLU N N 15 117.431 0.004 . 1 . . . A 69 GLU N . 17705 1 714 . 1 1 104 104 ASP H H 1 8.022 0.004 . 1 . . . A 70 ASP H . 17705 1 715 . 1 1 104 104 ASP HA H 1 4.266 0.004 . 1 . . . A 70 ASP HA . 17705 1 716 . 1 1 104 104 ASP HB2 H 1 2.705 0.004 . 2 . . . A 70 ASP HB2 . 17705 1 717 . 1 1 104 104 ASP HB3 H 1 2.988 0.000 . 2 . . . A 70 ASP HB3 . 17705 1 718 . 1 1 104 104 ASP CB C 13 37.517 0.010 . 1 . . . A 70 ASP CB . 17705 1 719 . 1 1 104 104 ASP N N 15 120.512 0.004 . 1 . . . A 70 ASP N . 17705 1 720 . 1 1 105 105 ALA H H 1 8.109 0.008 . 1 . . . A 71 ALA H . 17705 1 721 . 1 1 105 105 ALA HA H 1 2.785 0.011 . 1 . . . A 71 ALA HA . 17705 1 722 . 1 1 105 105 ALA HB1 H 1 1.273 0.000 . 2 . . . A 71 ALA HB1 . 17705 1 723 . 1 1 105 105 ALA HB2 H 1 1.273 0.000 . 2 . . . A 71 ALA HB2 . 17705 1 724 . 1 1 105 105 ALA HB3 H 1 1.273 0.000 . 2 . . . A 71 ALA HB3 . 17705 1 725 . 1 1 105 105 ALA CA C 13 51.734 0.000 . 1 . . . A 71 ALA CA . 17705 1 726 . 1 1 105 105 ALA CB C 13 17.148 0.000 . 1 . . . A 71 ALA CB . 17705 1 727 . 1 1 105 105 ALA N N 15 122.325 0.001 . 1 . . . A 71 ALA N . 17705 1 728 . 1 1 106 106 MET H H 1 8.293 0.007 . 1 . . . A 72 MET H . 17705 1 729 . 1 1 106 106 MET HA H 1 3.657 0.003 . 1 . . . A 72 MET HA . 17705 1 730 . 1 1 106 106 MET HB2 H 1 1.899 0.008 . 2 . . . A 72 MET HB2 . 17705 1 731 . 1 1 106 106 MET HB3 H 1 2.235 0.009 . 2 . . . A 72 MET HB3 . 17705 1 732 . 1 1 106 106 MET HG2 H 1 2.269 0.012 . 2 . . . A 72 MET HG2 . 17705 1 733 . 1 1 106 106 MET HG3 H 1 2.369 0.012 . 2 . . . A 72 MET HG3 . 17705 1 734 . 1 1 106 106 MET HE1 H 1 2.111 0.006 . 2 . . . A 72 MET HE1 . 17705 1 735 . 1 1 106 106 MET HE2 H 1 2.111 0.006 . 2 . . . A 72 MET HE2 . 17705 1 736 . 1 1 106 106 MET HE3 H 1 2.111 0.006 . 2 . . . A 72 MET HE3 . 17705 1 737 . 1 1 106 106 MET CA C 13 57.163 0.000 . 1 . . . A 72 MET CA . 17705 1 738 . 1 1 106 106 MET CB C 13 30.248 0.000 . 1 . . . A 72 MET CB . 17705 1 739 . 1 1 106 106 MET CG C 13 28.348 0.000 . 1 . . . A 72 MET CG . 17705 1 740 . 1 1 106 106 MET CE C 13 14.719 0.000 . 1 . . . A 72 MET CE . 17705 1 741 . 1 1 106 106 MET N N 15 118.595 0.037 . 1 . . . A 72 MET N . 17705 1 742 . 1 1 107 107 ASP H H 1 7.784 0.015 . 1 . . . A 73 ASP H . 17705 1 743 . 1 1 107 107 ASP HA H 1 4.324 0.000 . 1 . . . A 73 ASP HA . 17705 1 744 . 1 1 107 107 ASP HB2 H 1 2.615 0.001 . 2 . . . A 73 ASP HB2 . 17705 1 745 . 1 1 107 107 ASP HB3 H 1 2.735 0.004 . 2 . . . A 73 ASP HB3 . 17705 1 746 . 1 1 107 107 ASP CA C 13 54.048 0.000 . 1 . . . A 73 ASP CA . 17705 1 747 . 1 1 107 107 ASP CB C 13 38.348 0.000 . 1 . . . A 73 ASP CB . 17705 1 748 . 1 1 107 107 ASP N N 15 117.126 0.003 . 1 . . . A 73 ASP N . 17705 1 749 . 1 1 108 108 ALA H H 1 7.366 0.002 . 1 . . . A 74 ALA H . 17705 1 750 . 1 1 108 108 ALA HA H 1 4.111 0.007 . 1 . . . A 74 ALA HA . 17705 1 751 . 1 1 108 108 ALA HB1 H 1 1.091 0.013 . 2 . . . A 74 ALA HB1 . 17705 1 752 . 1 1 108 108 ALA HB2 H 1 1.091 0.013 . 2 . . . A 74 ALA HB2 . 17705 1 753 . 1 1 108 108 ALA HB3 H 1 1.091 0.013 . 2 . . . A 74 ALA HB3 . 17705 1 754 . 1 1 108 108 ALA CA C 13 51.374 0.000 . 1 . . . A 74 ALA CA . 17705 1 755 . 1 1 108 108 ALA CB C 13 17.653 0.000 . 1 . . . A 74 ALA CB . 17705 1 756 . 1 1 108 108 ALA N N 15 117.971 0.010 . 1 . . . A 74 ALA N . 17705 1 757 . 1 1 109 109 MET H H 1 8.077 0.007 . 1 . . . A 75 MET H . 17705 1 758 . 1 1 109 109 MET HA H 1 4.756 0.004 . 1 . . . A 75 MET HA . 17705 1 759 . 1 1 109 109 MET HB2 H 1 1.775 0.008 . 2 . . . A 75 MET HB2 . 17705 1 760 . 1 1 109 109 MET HB3 H 1 1.958 0.009 . 2 . . . A 75 MET HB3 . 17705 1 761 . 1 1 109 109 MET HE1 H 1 1.511 0.016 . 2 . . . A 75 MET HE1 . 17705 1 762 . 1 1 109 109 MET HE2 H 1 1.511 0.016 . 2 . . . A 75 MET HE2 . 17705 1 763 . 1 1 109 109 MET HE3 H 1 1.511 0.016 . 2 . . . A 75 MET HE3 . 17705 1 764 . 1 1 109 109 MET CA C 13 50.696 0.017 . 1 . . . A 75 MET CA . 17705 1 765 . 1 1 109 109 MET CE C 13 12.640 0.000 . 1 . . . A 75 MET CE . 17705 1 766 . 1 1 109 109 MET N N 15 112.248 0.019 . 1 . . . A 75 MET N . 17705 1 767 . 1 1 110 110 ASP H H 1 7.915 0.002 . 1 . . . A 76 ASP H . 17705 1 768 . 1 1 110 110 ASP HA H 1 4.413 0.001 . 1 . . . A 76 ASP HA . 17705 1 769 . 1 1 110 110 ASP HB2 H 1 2.785 0.001 . 2 . . . A 76 ASP HB2 . 17705 1 770 . 1 1 110 110 ASP HB3 H 1 2.990 0.001 . 2 . . . A 76 ASP HB3 . 17705 1 771 . 1 1 110 110 ASP CA C 13 54.930 0.000 . 1 . . . A 76 ASP CA . 17705 1 772 . 1 1 110 110 ASP CB C 13 38.580 0.001 . 1 . . . A 76 ASP CB . 17705 1 773 . 1 1 110 110 ASP N N 15 120.144 0.002 . 1 . . . A 76 ASP N . 17705 1 774 . 1 1 111 111 GLY H H 1 8.680 0.008 . 1 . . . A 77 GLY H . 17705 1 775 . 1 1 111 111 GLY HA2 H 1 3.684 0.001 . 2 . . . A 77 GLY HA2 . 17705 1 776 . 1 1 111 111 GLY HA3 H 1 4.243 0.006 . 2 . . . A 77 GLY HA3 . 17705 1 777 . 1 1 111 111 GLY CA C 13 42.848 0.000 . 1 . . . A 77 GLY CA . 17705 1 778 . 1 1 111 111 GLY N N 15 117.810 0.000 . 1 . . . A 77 GLY N . 17705 1 779 . 1 1 112 112 ALA H H 1 7.918 0.003 . 1 . . . A 78 ALA H . 17705 1 780 . 1 1 112 112 ALA HA H 1 4.327 0.002 . 1 . . . A 78 ALA HA . 17705 1 781 . 1 1 112 112 ALA HB1 H 1 1.462 0.004 . 2 . . . A 78 ALA HB1 . 17705 1 782 . 1 1 112 112 ALA HB2 H 1 1.462 0.004 . 2 . . . A 78 ALA HB2 . 17705 1 783 . 1 1 112 112 ALA HB3 H 1 1.462 0.004 . 2 . . . A 78 ALA HB3 . 17705 1 784 . 1 1 112 112 ALA CA C 13 48.968 0.000 . 1 . . . A 78 ALA CA . 17705 1 785 . 1 1 112 112 ALA CB C 13 17.479 0.000 . 1 . . . A 78 ALA CB . 17705 1 786 . 1 1 112 112 ALA N N 15 123.748 0.000 . 1 . . . A 78 ALA N . 17705 1 787 . 1 1 113 113 VAL H H 1 8.091 0.005 . 1 . . . A 79 VAL H . 17705 1 788 . 1 1 113 113 VAL HA H 1 4.640 0.000 . 1 . . . A 79 VAL HA . 17705 1 789 . 1 1 113 113 VAL HB H 1 1.785 0.004 . 1 . . . A 79 VAL HB . 17705 1 790 . 1 1 113 113 VAL HG11 H 1 0.662 0.003 . 2 . . . A 79 VAL HG11 . 17705 1 791 . 1 1 113 113 VAL HG12 H 1 0.662 0.003 . 2 . . . A 79 VAL HG12 . 17705 1 792 . 1 1 113 113 VAL HG13 H 1 0.662 0.003 . 2 . . . A 79 VAL HG13 . 17705 1 793 . 1 1 113 113 VAL HG21 H 1 0.832 0.003 . 2 . . . A 79 VAL HG21 . 17705 1 794 . 1 1 113 113 VAL HG22 H 1 0.832 0.003 . 2 . . . A 79 VAL HG22 . 17705 1 795 . 1 1 113 113 VAL HG23 H 1 0.832 0.003 . 2 . . . A 79 VAL HG23 . 17705 1 796 . 1 1 113 113 VAL CB C 13 29.622 0.002 . 1 . . . A 79 VAL CB . 17705 1 797 . 1 1 113 113 VAL CG1 C 13 18.436 0.000 . 2 . . . A 79 VAL CG1 . 17705 1 798 . 1 1 113 113 VAL CG2 C 13 19.148 0.000 . 2 . . . A 79 VAL CG2 . 17705 1 799 . 1 1 113 113 VAL N N 15 118.622 0.002 . 1 . . . A 79 VAL N . 17705 1 800 . 1 1 114 114 LEU H H 1 8.875 0.007 . 1 . . . A 80 LEU H . 17705 1 801 . 1 1 114 114 LEU HA H 1 4.545 0.005 . 1 . . . A 80 LEU HA . 17705 1 802 . 1 1 114 114 LEU HB2 H 1 1.190 0.007 . 2 . . . A 80 LEU HB2 . 17705 1 803 . 1 1 114 114 LEU HB3 H 1 1.796 0.003 . 2 . . . A 80 LEU HB3 . 17705 1 804 . 1 1 114 114 LEU HG H 1 1.446 0.003 . 1 . . . A 80 LEU HG . 17705 1 805 . 1 1 114 114 LEU HD11 H 1 0.820 0.000 . 2 . . . A 80 LEU HD11 . 17705 1 806 . 1 1 114 114 LEU HD12 H 1 0.820 0.000 . 2 . . . A 80 LEU HD12 . 17705 1 807 . 1 1 114 114 LEU HD13 H 1 0.820 0.000 . 2 . . . A 80 LEU HD13 . 17705 1 808 . 1 1 114 114 LEU HD21 H 1 0.897 0.000 . 2 . . . A 80 LEU HD21 . 17705 1 809 . 1 1 114 114 LEU HD22 H 1 0.897 0.000 . 2 . . . A 80 LEU HD22 . 17705 1 810 . 1 1 114 114 LEU HD23 H 1 0.897 0.000 . 2 . . . A 80 LEU HD23 . 17705 1 811 . 1 1 114 114 LEU CA C 13 51.948 0.000 . 1 . . . A 80 LEU CA . 17705 1 812 . 1 1 114 114 LEU CB C 13 42.680 0.011 . 1 . . . A 80 LEU CB . 17705 1 813 . 1 1 114 114 LEU CD1 C 13 23.727 0.004 . 2 . . . A 80 LEU CD1 . 17705 1 814 . 1 1 114 114 LEU CD2 C 13 21.518 0.000 . 2 . . . A 80 LEU CD2 . 17705 1 815 . 1 1 114 114 LEU N N 15 129.451 0.004 . 1 . . . A 80 LEU N . 17705 1 816 . 1 1 115 115 ASP H H 1 9.445 0.007 . 1 . . . A 81 ASP H . 17705 1 817 . 1 1 115 115 ASP HA H 1 4.233 0.003 . 1 . . . A 81 ASP HA . 17705 1 818 . 1 1 115 115 ASP HB2 H 1 2.240 0.002 . 2 . . . A 81 ASP HB2 . 17705 1 819 . 1 1 115 115 ASP HB3 H 1 3.069 0.001 . 2 . . . A 81 ASP HB3 . 17705 1 820 . 1 1 115 115 ASP CA C 13 52.275 0.000 . 1 . . . A 81 ASP CA . 17705 1 821 . 1 1 115 115 ASP CB C 13 37.258 0.006 . 1 . . . A 81 ASP CB . 17705 1 822 . 1 1 115 115 ASP N N 15 129.610 0.018 . 1 . . . A 81 ASP N . 17705 1 823 . 1 1 116 116 GLY H H 1 8.008 0.008 . 1 . . . A 82 GLY H . 17705 1 824 . 1 1 116 116 GLY HA2 H 1 3.468 0.004 . 2 . . . A 82 GLY HA2 . 17705 1 825 . 1 1 116 116 GLY HA3 H 1 4.024 0.002 . 2 . . . A 82 GLY HA3 . 17705 1 826 . 1 1 116 116 GLY CA C 13 42.885 0.007 . 1 . . . A 82 GLY CA . 17705 1 827 . 1 1 116 116 GLY N N 15 100.657 0.001 . 1 . . . A 82 GLY N . 17705 1 828 . 1 1 117 117 ARG H H 1 7.499 0.002 . 1 . . . A 83 ARG H . 17705 1 829 . 1 1 117 117 ARG HA H 1 4.546 0.004 . 1 . . . A 83 ARG HA . 17705 1 830 . 1 1 117 117 ARG HB2 H 1 1.815 0.001 . 2 . . . A 83 ARG HB2 . 17705 1 831 . 1 1 117 117 ARG HB3 H 1 1.908 0.005 . 2 . . . A 83 ARG HB3 . 17705 1 832 . 1 1 117 117 ARG HG2 H 1 1.451 0.003 . 2 . . . A 83 ARG HG2 . 17705 1 833 . 1 1 117 117 ARG HG3 H 1 1.686 0.001 . 2 . . . A 83 ARG HG3 . 17705 1 834 . 1 1 117 117 ARG HD2 H 1 3.023 0.011 . 2 . . . A 83 ARG HD2 . 17705 1 835 . 1 1 117 117 ARG HD3 H 1 3.023 0.011 . 2 . . . A 83 ARG HD3 . 17705 1 836 . 1 1 117 117 ARG CA C 13 50.948 0.000 . 1 . . . A 83 ARG CA . 17705 1 837 . 1 1 117 117 ARG CB C 13 30.568 0.012 . 1 . . . A 83 ARG CB . 17705 1 838 . 1 1 117 117 ARG CG C 13 24.317 0.018 . 1 . . . A 83 ARG CG . 17705 1 839 . 1 1 117 117 ARG CD C 13 40.349 0.000 . 1 . . . A 83 ARG CD . 17705 1 840 . 1 1 117 117 ARG N N 15 120.179 0.008 . 1 . . . A 83 ARG N . 17705 1 841 . 1 1 118 118 GLU H H 1 8.369 0.004 . 1 . . . A 84 GLU H . 17705 1 842 . 1 1 118 118 GLU HA H 1 4.319 0.001 . 1 . . . A 84 GLU HA . 17705 1 843 . 1 1 118 118 GLU HB2 H 1 1.791 0.005 . 2 . . . A 84 GLU HB2 . 17705 1 844 . 1 1 118 118 GLU HB3 H 1 1.873 0.010 . 2 . . . A 84 GLU HB3 . 17705 1 845 . 1 1 118 118 GLU HG2 H 1 2.046 0.004 . 2 . . . A 84 GLU HG2 . 17705 1 846 . 1 1 118 118 GLU HG3 H 1 2.133 0.002 . 2 . . . A 84 GLU HG3 . 17705 1 847 . 1 1 118 118 GLU CA C 13 53.017 0.000 . 1 . . . A 84 GLU CA . 17705 1 848 . 1 1 118 118 GLU CB C 13 27.189 0.006 . 1 . . . A 84 GLU CB . 17705 1 849 . 1 1 118 118 GLU CG C 13 33.724 0.006 . 1 . . . A 84 GLU CG . 17705 1 850 . 1 1 118 118 GLU N N 15 121.274 0.015 . 1 . . . A 84 GLU N . 17705 1 851 . 1 1 119 119 LEU H H 1 9.356 0.025 . 1 . . . A 85 LEU H . 17705 1 852 . 1 1 119 119 LEU HA H 1 4.550 0.007 . 1 . . . A 85 LEU HA . 17705 1 853 . 1 1 119 119 LEU HB2 H 1 1.245 0.001 . 2 . . . A 85 LEU HB2 . 17705 1 854 . 1 1 119 119 LEU HB3 H 1 2.153 0.002 . 2 . . . A 85 LEU HB3 . 17705 1 855 . 1 1 119 119 LEU HG H 1 1.916 0.009 . 1 . . . A 85 LEU HG . 17705 1 856 . 1 1 119 119 LEU HD11 H 1 0.747 0.000 . 2 . . . A 85 LEU HD11 . 17705 1 857 . 1 1 119 119 LEU HD12 H 1 0.747 0.000 . 2 . . . A 85 LEU HD12 . 17705 1 858 . 1 1 119 119 LEU HD13 H 1 0.747 0.000 . 2 . . . A 85 LEU HD13 . 17705 1 859 . 1 1 119 119 LEU HD21 H 1 0.772 0.000 . 2 . . . A 85 LEU HD21 . 17705 1 860 . 1 1 119 119 LEU HD22 H 1 0.772 0.000 . 2 . . . A 85 LEU HD22 . 17705 1 861 . 1 1 119 119 LEU HD23 H 1 0.772 0.000 . 2 . . . A 85 LEU HD23 . 17705 1 862 . 1 1 119 119 LEU CA C 13 51.786 0.000 . 1 . . . A 85 LEU CA . 17705 1 863 . 1 1 119 119 LEU CB C 13 40.888 0.012 . 1 . . . A 85 LEU CB . 17705 1 864 . 1 1 119 119 LEU CD1 C 13 19.997 0.000 . 2 . . . A 85 LEU CD1 . 17705 1 865 . 1 1 119 119 LEU CD2 C 13 22.724 0.000 . 2 . . . A 85 LEU CD2 . 17705 1 866 . 1 1 119 119 LEU N N 15 128.104 0.003 . 1 . . . A 85 LEU N . 17705 1 867 . 1 1 120 120 ARG H H 1 7.677 0.012 . 1 . . . A 86 ARG H . 17705 1 868 . 1 1 120 120 ARG HA H 1 5.154 0.002 . 1 . . . A 86 ARG HA . 17705 1 869 . 1 1 120 120 ARG HB2 H 1 1.682 0.005 . 2 . . . A 86 ARG HB2 . 17705 1 870 . 1 1 120 120 ARG HB3 H 1 1.844 0.004 . 2 . . . A 86 ARG HB3 . 17705 1 871 . 1 1 120 120 ARG HG2 H 1 1.618 0.017 . 2 . . . A 86 ARG HG2 . 17705 1 872 . 1 1 120 120 ARG HG3 H 1 1.618 0.017 . 2 . . . A 86 ARG HG3 . 17705 1 873 . 1 1 120 120 ARG HD2 H 1 3.241 0.005 . 2 . . . A 86 ARG HD2 . 17705 1 874 . 1 1 120 120 ARG HD3 H 1 3.241 0.005 . 2 . . . A 86 ARG HD3 . 17705 1 875 . 1 1 120 120 ARG HE H 1 7.614 0.006 . 1 . . . A 86 ARG HE . 17705 1 876 . 1 1 120 120 ARG CA C 13 51.649 0.000 . 1 . . . A 86 ARG CA . 17705 1 877 . 1 1 120 120 ARG CB C 13 29.575 0.020 . 1 . . . A 86 ARG CB . 17705 1 878 . 1 1 120 120 ARG CG C 13 24.187 0.000 . 1 . . . A 86 ARG CG . 17705 1 879 . 1 1 120 120 ARG CD C 13 40.599 0.006 . 1 . . . A 86 ARG CD . 17705 1 880 . 1 1 120 120 ARG N N 15 121.349 0.002 . 1 . . . A 86 ARG N . 17705 1 881 . 1 1 120 120 ARG NE N 15 85.085 0.000 . 1 . . . A 86 ARG NE . 17705 1 882 . 1 1 121 121 VAL H H 1 9.435 0.027 . 1 . . . A 87 VAL H . 17705 1 883 . 1 1 121 121 VAL HA H 1 5.141 0.015 . 1 . . . A 87 VAL HA . 17705 1 884 . 1 1 121 121 VAL HB H 1 1.938 0.006 . 1 . . . A 87 VAL HB . 17705 1 885 . 1 1 121 121 VAL HG11 H 1 0.981 0.001 . 2 . . . A 87 VAL HG11 . 17705 1 886 . 1 1 121 121 VAL HG12 H 1 0.981 0.001 . 2 . . . A 87 VAL HG12 . 17705 1 887 . 1 1 121 121 VAL HG13 H 1 0.981 0.001 . 2 . . . A 87 VAL HG13 . 17705 1 888 . 1 1 121 121 VAL HG21 H 1 1.036 0.008 . 2 . . . A 87 VAL HG21 . 17705 1 889 . 1 1 121 121 VAL HG22 H 1 1.036 0.008 . 2 . . . A 87 VAL HG22 . 17705 1 890 . 1 1 121 121 VAL HG23 H 1 1.036 0.008 . 2 . . . A 87 VAL HG23 . 17705 1 891 . 1 1 121 121 VAL CA C 13 58.525 0.000 . 1 . . . A 87 VAL CA . 17705 1 892 . 1 1 121 121 VAL CB C 13 31.933 0.000 . 1 . . . A 87 VAL CB . 17705 1 893 . 1 1 121 121 VAL CG1 C 13 22.016 0.000 . 2 . . . A 87 VAL CG1 . 17705 1 894 . 1 1 121 121 VAL CG2 C 13 19.757 0.000 . 2 . . . A 87 VAL CG2 . 17705 1 895 . 1 1 121 121 VAL N N 15 126.888 0.003 . 1 . . . A 87 VAL N . 17705 1 896 . 1 1 122 122 GLN H H 1 8.520 0.002 . 1 . . . A 88 GLN H . 17705 1 897 . 1 1 122 122 GLN HA H 1 4.935 0.005 . 1 . . . A 88 GLN HA . 17705 1 898 . 1 1 122 122 GLN HB2 H 1 1.960 0.003 . 2 . . . A 88 GLN HB2 . 17705 1 899 . 1 1 122 122 GLN HB3 H 1 2.098 0.026 . 2 . . . A 88 GLN HB3 . 17705 1 900 . 1 1 122 122 GLN HG2 H 1 2.136 0.001 . 2 . . . A 88 GLN HG2 . 17705 1 901 . 1 1 122 122 GLN HG3 H 1 2.341 0.004 . 2 . . . A 88 GLN HG3 . 17705 1 902 . 1 1 122 122 GLN HE21 H 1 7.541 0.007 . 2 . . . A 88 GLN HE21 . 17705 1 903 . 1 1 122 122 GLN HE22 H 1 6.787 0.004 . 2 . . . A 88 GLN HE22 . 17705 1 904 . 1 1 122 122 GLN CA C 13 50.990 0.000 . 1 . . . A 88 GLN CA . 17705 1 905 . 1 1 122 122 GLN CB C 13 31.360 0.026 . 1 . . . A 88 GLN CB . 17705 1 906 . 1 1 122 122 GLN CG C 13 31.070 0.007 . 1 . . . A 88 GLN CG . 17705 1 907 . 1 1 122 122 GLN N N 15 122.184 0.003 . 1 . . . A 88 GLN N . 17705 1 908 . 1 1 122 122 GLN NE2 N 15 112.676 0.003 . 1 . . . A 88 GLN NE2 . 17705 1 909 . 1 1 123 123 MET H H 1 8.699 0.015 . 1 . . . A 89 MET H . 17705 1 910 . 1 1 123 123 MET HA H 1 4.660 0.003 . 1 . . . A 89 MET HA . 17705 1 911 . 1 1 123 123 MET HB2 H 1 1.970 0.000 . 2 . . . A 89 MET HB2 . 17705 1 912 . 1 1 123 123 MET HB3 H 1 1.970 0.000 . 2 . . . A 89 MET HB3 . 17705 1 913 . 1 1 123 123 MET HG2 H 1 2.525 0.004 . 2 . . . A 89 MET HG2 . 17705 1 914 . 1 1 123 123 MET HG3 H 1 2.634 0.000 . 2 . . . A 89 MET HG3 . 17705 1 915 . 1 1 123 123 MET HE1 H 1 1.919 0.002 . 2 . . . A 89 MET HE1 . 17705 1 916 . 1 1 123 123 MET HE2 H 1 1.919 0.002 . 2 . . . A 89 MET HE2 . 17705 1 917 . 1 1 123 123 MET HE3 H 1 1.919 0.002 . 2 . . . A 89 MET HE3 . 17705 1 918 . 1 1 123 123 MET CB C 13 29.398 0.000 . 1 . . . A 89 MET CB . 17705 1 919 . 1 1 123 123 MET CG C 13 29.699 0.007 . 1 . . . A 89 MET CG . 17705 1 920 . 1 1 123 123 MET CE C 13 14.405 0.000 . 1 . . . A 89 MET CE . 17705 1 921 . 1 1 123 123 MET N N 15 122.187 0.002 . 1 . . . A 89 MET N . 17705 1 922 . 1 1 124 124 ALA H H 1 8.592 0.005 . 1 . . . A 90 ALA H . 17705 1 923 . 1 1 124 124 ALA HA H 1 4.449 0.003 . 1 . . . A 90 ALA HA . 17705 1 924 . 1 1 124 124 ALA HB1 H 1 1.345 0.002 . 2 . . . A 90 ALA HB1 . 17705 1 925 . 1 1 124 124 ALA HB2 H 1 1.345 0.002 . 2 . . . A 90 ALA HB2 . 17705 1 926 . 1 1 124 124 ALA HB3 H 1 1.345 0.002 . 2 . . . A 90 ALA HB3 . 17705 1 927 . 1 1 124 124 ALA CA C 13 49.582 0.000 . 1 . . . A 90 ALA CA . 17705 1 928 . 1 1 124 124 ALA CB C 13 17.798 0.000 . 1 . . . A 90 ALA CB . 17705 1 929 . 1 1 124 124 ALA N N 15 127.406 0.011 . 1 . . . A 90 ALA N . 17705 1 930 . 1 1 125 125 ARG H H 1 8.299 0.003 . 1 . . . A 91 ARG H . 17705 1 931 . 1 1 125 125 ARG HA H 1 4.319 0.000 . 1 . . . A 91 ARG HA . 17705 1 932 . 1 1 125 125 ARG HB2 H 1 1.656 0.004 . 2 . . . A 91 ARG HB2 . 17705 1 933 . 1 1 125 125 ARG HB3 H 1 1.713 0.005 . 2 . . . A 91 ARG HB3 . 17705 1 934 . 1 1 125 125 ARG HG2 H 1 1.507 0.003 . 2 . . . A 91 ARG HG2 . 17705 1 935 . 1 1 125 125 ARG HG3 H 1 1.507 0.003 . 2 . . . A 91 ARG HG3 . 17705 1 936 . 1 1 125 125 ARG HD2 H 1 3.121 0.007 . 2 . . . A 91 ARG HD2 . 17705 1 937 . 1 1 125 125 ARG HD3 H 1 3.121 0.007 . 2 . . . A 91 ARG HD3 . 17705 1 938 . 1 1 125 125 ARG CA C 13 53.218 0.000 . 1 . . . A 91 ARG CA . 17705 1 939 . 1 1 125 125 ARG CB C 13 28.634 0.009 . 1 . . . A 91 ARG CB . 17705 1 940 . 1 1 125 125 ARG N N 15 119.981 0.014 . 1 . . . A 91 ARG N . 17705 1 941 . 1 1 126 126 TYR H H 1 8.182 0.011 . 1 . . . A 92 TYR H . 17705 1 942 . 1 1 126 126 TYR HA H 1 4.466 0.004 . 1 . . . A 92 TYR HA . 17705 1 943 . 1 1 126 126 TYR HB2 H 1 2.761 0.010 . 2 . . . A 92 TYR HB2 . 17705 1 944 . 1 1 126 126 TYR HB3 H 1 2.872 0.013 . 2 . . . A 92 TYR HB3 . 17705 1 945 . 1 1 126 126 TYR HD1 H 1 6.962 0.008 . 3 . . . A 92 TYR HD1 . 17705 1 946 . 1 1 126 126 TYR HD2 H 1 6.962 0.008 . 3 . . . A 92 TYR HD2 . 17705 1 947 . 1 1 126 126 TYR HE1 H 1 6.681 0.006 . 3 . . . A 92 TYR HE1 . 17705 1 948 . 1 1 126 126 TYR HE2 H 1 6.681 0.006 . 3 . . . A 92 TYR HE2 . 17705 1 949 . 1 1 126 126 TYR CA C 13 55.090 0.000 . 1 . . . A 92 TYR CA . 17705 1 950 . 1 1 126 126 TYR CB C 13 36.470 0.013 . 1 . . . A 92 TYR CB . 17705 1 951 . 1 1 126 126 TYR CD1 C 13 133.055 0.006 . 3 . . . A 92 TYR CD1 . 17705 1 952 . 1 1 126 126 TYR CE1 C 13 118.034 0.009 . 3 . . . A 92 TYR CE1 . 17705 1 953 . 1 1 126 126 TYR N N 15 121.757 0.009 . 1 . . . A 92 TYR N . 17705 1 954 . 1 1 127 127 GLY H H 1 7.969 0.037 . 1 . . . A 93 GLY H . 17705 1 955 . 1 1 127 127 GLY HA2 H 1 3.642 0.005 . 2 . . . A 93 GLY HA2 . 17705 1 956 . 1 1 127 127 GLY HA3 H 1 3.782 0.005 . 2 . . . A 93 GLY HA3 . 17705 1 957 . 1 1 127 127 GLY CA C 13 42.342 0.005 . 1 . . . A 93 GLY CA . 17705 1 958 . 1 1 127 127 GLY N N 15 110.707 0.013 . 1 . . . A 93 GLY N . 17705 1 959 . 1 1 128 128 ARG H H 1 7.930 0.007 . 1 . . . A 94 ARG H . 17705 1 960 . 1 1 128 128 ARG HA H 1 4.465 0.007 . 1 . . . A 94 ARG HA . 17705 1 961 . 1 1 128 128 ARG HB2 H 1 1.568 0.000 . 2 . . . A 94 ARG HB2 . 17705 1 962 . 1 1 128 128 ARG HB3 H 1 1.707 0.000 . 2 . . . A 94 ARG HB3 . 17705 1 963 . 1 1 128 128 ARG HD2 H 1 3.074 0.006 . 2 . . . A 94 ARG HD2 . 17705 1 964 . 1 1 128 128 ARG HD3 H 1 3.074 0.006 . 2 . . . A 94 ARG HD3 . 17705 1 965 . 1 1 128 128 ARG CA C 13 51.049 0.000 . 1 . . . A 94 ARG CA . 17705 1 966 . 1 1 128 128 ARG CD C 13 40.839 0.000 . 1 . . . A 94 ARG CD . 17705 1 967 . 1 1 128 128 ARG N N 15 121.504 0.007 . 1 . . . A 94 ARG N . 17705 1 968 . 1 1 129 129 PRO HG2 H 1 1.994 0.000 . 2 . . . A 95 PRO HG2 . 17705 1 969 . 1 1 129 129 PRO HG3 H 1 1.994 0.000 . 2 . . . A 95 PRO HG3 . 17705 1 970 . 1 1 129 129 PRO HD2 H 1 3.509 0.002 . 2 . . . A 95 PRO HD2 . 17705 1 971 . 1 1 129 129 PRO HD3 H 1 3.677 0.000 . 2 . . . A 95 PRO HD3 . 17705 1 972 . 1 1 129 129 PRO CD C 13 47.733 0.015 . 1 . . . A 95 PRO CD . 17705 1 973 . 1 1 131 131 ASP H H 1 8.289 0.001 . 1 . . . A 97 ASP H . 17705 1 974 . 1 1 131 131 ASP HB2 H 1 2.627 0.012 . 2 . . . A 97 ASP HB2 . 17705 1 975 . 1 1 131 131 ASP HB3 H 1 2.659 0.000 . 2 . . . A 97 ASP HB3 . 17705 1 976 . 1 1 131 131 ASP N N 15 120.004 0.000 . 1 . . . A 97 ASP N . 17705 1 977 . 1 1 132 132 SER H H 1 8.128 0.004 . 1 . . . A 98 SER H . 17705 1 978 . 1 1 132 132 SER HA H 1 4.348 0.000 . 1 . . . A 98 SER HA . 17705 1 979 . 1 1 132 132 SER HB2 H 1 3.800 0.008 . 2 . . . A 98 SER HB2 . 17705 1 980 . 1 1 132 132 SER HB3 H 1 3.800 0.008 . 2 . . . A 98 SER HB3 . 17705 1 981 . 1 1 132 132 SER CB C 13 61.181 0.000 . 1 . . . A 98 SER CB . 17705 1 982 . 1 1 132 132 SER N N 15 115.594 0.010 . 1 . . . A 98 SER N . 17705 1 983 . 1 1 133 133 HIS H H 1 8.290 0.000 . 1 . . . A 99 HIS H . 17705 1 984 . 1 1 133 133 HIS HB2 H 1 3.014 0.007 . 2 . . . A 99 HIS HB2 . 17705 1 985 . 1 1 133 133 HIS HB3 H 1 3.109 0.001 . 2 . . . A 99 HIS HB3 . 17705 1 986 . 1 1 133 133 HIS HD2 H 1 7.076 0.002 . 1 . . . A 99 HIS HD2 . 17705 1 987 . 1 1 133 133 HIS HE1 H 1 8.241 0.000 . 1 . . . A 99 HIS HE1 . 17705 1 988 . 1 1 133 133 HIS CB C 13 27.069 0.003 . 1 . . . A 99 HIS CB . 17705 1 989 . 1 1 133 133 HIS CD2 C 13 119.749 0.002 . 1 . . . A 99 HIS CD2 . 17705 1 990 . 1 1 133 133 HIS CE1 C 13 137.116 0.000 . 1 . . . A 99 HIS CE1 . 17705 1 991 . 1 1 134 134 HIS H H 1 7.251 0.000 . 1 . . . A 100 HIS H . 17705 1 992 . 1 1 134 134 HIS HB2 H 1 3.168 0.000 . 2 . . . A 100 HIS HB2 . 17705 1 993 . 1 1 134 134 HIS HB3 H 1 3.245 0.005 . 2 . . . A 100 HIS HB3 . 17705 1 994 . 1 1 134 134 HIS HD2 H 1 7.245 0.011 . 1 . . . A 100 HIS HD2 . 17705 1 995 . 1 1 134 134 HIS CB C 13 27.050 0.036 . 1 . . . A 100 HIS CB . 17705 1 996 . 1 1 134 134 HIS CD2 C 13 120.364 0.005 . 1 . . . A 100 HIS CD2 . 17705 1 997 . 1 1 134 134 HIS N N 15 120.371 0.000 . 1 . . . A 100 HIS N . 17705 1 998 . 1 1 135 135 SER H H 1 8.119 0.003 . 1 . . . A 101 SER H . 17705 1 999 . 1 1 135 135 SER HA H 1 4.258 0.000 . 1 . . . A 101 SER HA . 17705 1 1000 . 1 1 135 135 SER HB2 H 1 3.849 0.000 . 2 . . . A 101 SER HB2 . 17705 1 1001 . 1 1 135 135 SER HB3 H 1 3.849 0.000 . 2 . . . A 101 SER HB3 . 17705 1 1002 . 1 1 135 135 SER N N 15 123.154 0.004 . 1 . . . A 101 SER N . 17705 1 stop_ save_