data_4683 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 4683 _Entry.Title ; Multiple Modes of Peptide Recognition by the PTB Domain of the cell fate Determinant Numb ; _Entry.Type . _Entry.Version_type original _Entry.Submission_date 2000-03-08 _Entry.Accession_date 2000-03-08 _Entry.Last_release_date 2000-06-19 _Entry.Original_release_date 2000-06-19 _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version 2.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype . _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 Catherine Zwahlen . . . 4683 2 Shun-Cheng Li . . . 4683 3 Lewis Kay . E. . 4683 4 Tony Pawson . . . 4683 5 Julie Forman-Kay . D. . 4683 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 4683 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 624 4683 '1H chemical shifts' 1079 4683 '15N chemical shifts' 161 4683 stop_ loop_ _Release.Release_number _Release.Format_type _Release.Format_version _Release.Date _Release.Submission_date _Release.Type _Release.Author _Release.Detail _Release.Entry_ID 1 . . 2000-06-19 2000-03-08 original author . 4683 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 4683 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code 20211393 _Citation.DOI . _Citation.PubMed_ID . _Citation.Full_citation ; Zwahlen, C., Li, S-C., Kay, L.E., Pawson, T., and Forman-Kay, J.D., "Multiple Modes of Peptide Recognition by the PTB Domain of the cell fate Determinant Numb," EMBO J. 19, 1505-1515 (2000). ; _Citation.Title ; Multiple Modes of Peptide Recognition by the PTB Domain of the cell fate Determinant Numb ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'EMBO J.' _Citation.Journal_name_full 'EMBO Journal' _Citation.Journal_volume 19 _Citation.Journal_issue 7 _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 1505 _Citation.Page_last 1515 _Citation.Year 2000 _Citation.Details ; 1H, 13C and 15N assigned chemical shift for the PTB domain of Numb complexed to NAK ; 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 Catherine Zwahlen . . . 4683 1 2 Shun-Cheng Li . . . 4683 1 3 Lewis Kay . E. . 4683 1 4 Tony Pawson . . . 4683 1 5 Julie Forman-Kay . D. . 4683 1 stop_ loop_ _Citation_keyword.Keyword _Citation_keyword.Entry_ID _Citation_keyword.Citation_ID 'PTB domain' 4683 1 stop_ save_ save_ref_1 _Citation.Sf_category citations _Citation.Sf_framecode ref_1 _Citation.Entry_ID 4683 _Citation.ID 2 _Citation.Class 'reference citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 8520220 _Citation.Full_citation ; F. Delaglio, S. Grzesiek, G.W. Vuister, G. Zhu, J. Pfeifer, A. Bax J. Biolmol. NMR, 6, 277-293 (1995) ; _Citation.Title 'NMRPipe: a multidimensional spectral processing system based on UNIX pipes.' _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'J. Biomol. NMR' _Citation.Journal_name_full 'Journal of biomolecular NMR' _Citation.Journal_volume 6 _Citation.Journal_issue 3 _Citation.Journal_ASTM . _Citation.Journal_ISSN 0925-2738 _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 277 _Citation.Page_last 293 _Citation.Year 1995 _Citation.Details ; The NMRPipe system is a UNIX software environment of processing, graphics, and analysis tools designed to meet current routine and research-oriented multidimensional processing requirements, and to anticipate and accommodate future demands and developments. The system is based on UNIX pipes, which allow programs running simultaneously to exchange streams of data under user control. In an NMRPipe processing scheme, a stream of spectral data flows through a pipeline of processing programs, each of which performs one component of the overall scheme, such as Fourier transformation or linear prediction. Complete multidimensional processing schemes are constructed as simple UNIX shell scripts. The processing modules themselves maintain and exploit accurate records of data sizes, detection modes, and calibration information in all dimensions, so that schemes can be constructed without the need to explicitly define or anticipate data sizes or storage details of real and imaginary channels during processing. The asynchronous pipeline scheme provides other substantial advantages, including high flexibility, favorable processing speeds, choice of both all-in-memory and disk-bound processing, easy adaptation to different data formats, simpler software development and maintenance, and the ability to distribute processing tasks on multi-CPU computers and computer networks. ; 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 F Delaglio F. . . 4683 2 2 S Grzesiek S. . . 4683 2 3 'G W' Vuister G. W. . 4683 2 4 G Zhu G. . . 4683 2 5 J Pfeifer J. . . 4683 2 6 A Bax A. . . 4683 2 stop_ save_ save_ref_2 _Citation.Sf_category citations _Citation.Sf_framecode ref_2 _Citation.Entry_ID 4683 _Citation.ID 3 _Citation.Class 'reference citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code 9846878 _Citation.DOI . _Citation.PubMed_ID . _Citation.Full_citation ; B. A. Johnson, R.A. Blevins, J. Biolmol. NMR, 4, 603-614 (1994) ; _Citation.Title . _Citation.Status . _Citation.Type . _Citation.Journal_abbrev . _Citation.Journal_name_full . _Citation.Journal_volume . _Citation.Journal_issue . _Citation.Journal_ASTM . _Citation.Journal_ISSN . _Citation.Journal_CSD . _Citation.Book_title . _Citation.Book_chapter_title . _Citation.Book_volume . _Citation.Book_series . _Citation.Book_publisher . _Citation.Book_publisher_city . _Citation.Book_ISBN . _Citation.Conference_title . _Citation.Conference_site . _Citation.Conference_state_province . _Citation.Conference_country . _Citation.Conference_start_date . _Citation.Conference_end_date . _Citation.Conference_abstract_number . _Citation.Thesis_institution . _Citation.Thesis_institution_city . _Citation.Thesis_institution_country . _Citation.WWW_URL . _Citation.Page_first . _Citation.Page_last . _Citation.Year . _Citation.Details . save_ ############################################# # Molecular system (assembly) description # ############################################# save_system_dNumb_PTB _Assembly.Sf_category assembly _Assembly.Sf_framecode system_dNumb_PTB _Assembly.Entry_ID 4683 _Assembly.ID 1 _Assembly.Name 'dNumb PTB' _Assembly.BMRB_code . _Assembly.Number_of_components . _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 'all free' _Assembly.Molecular_mass . _Assembly.Enzyme_commission_number . _Assembly.Details . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Assembly_type.Type _Assembly_type.Entry_ID _Assembly_type.Assembly_ID monomer 4683 1 stop_ 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 'dNumb PTB' 1 $dNumb_PTB . . . native . . . . . 4683 1 stop_ loop_ _Assembly_db_link.Author_supplied _Assembly_db_link.Database_code _Assembly_db_link.Accession_code _Assembly_db_link.Entry_mol_code _Assembly_db_link.Entry_mol_name _Assembly_db_link.Entry_experimental_method _Assembly_db_link.Entry_structure_resolution _Assembly_db_link.Entry_relation_type _Assembly_db_link.Entry_details _Assembly_db_link.Entry_ID _Assembly_db_link.Assembly_ID . PDB 2NMB . 'A Chain A, Dnumb Ptb Domain Complexed With A Phosphotyrosine Peptide, Nmr, Ensemble Of Structures' . . . . 4683 1 . PDB 1DDM . 'A Chain A, Solution Structure Of The Numb Ptb Domain Complexed To A Nak Peptide' . . . . 4683 1 stop_ loop_ _Assembly_common_name.Name _Assembly_common_name.Type _Assembly_common_name.Entry_ID _Assembly_common_name.Assembly_ID 'dNumb PTB' system 4683 1 PTB abbreviation 4683 1 stop_ loop_ _Assembly_bio_function.Biological_function _Assembly_bio_function.Entry_ID _Assembly_bio_function.Assembly_ID 'Tyrosine Binding Domain' 4683 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_dNumb_PTB _Entity.Sf_category entity _Entity.Sf_framecode dNumb_PTB _Entity.Entry_ID 4683 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name 'dNumb PTB' _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID . _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; GSPGIPDRVPESSKPHQWQA DEEAVRSATCSFSVKYLGCV EVFESRGMQVCEEALKVLRQ SRRRPVRGLLHVSGDGLRVV DDETKGLIVDQTIEKVSFCA PDRNHERGFSYICRDGTTRR WMCHGFLACKDSGERLSHAV GCAFAVCLERKQRRTRAAAS GFSNMSFEDFP ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states . _Entity.Ambiguous_chem_comp_sites . _Entity.Nstd_monomer . _Entity.Nstd_chirality . _Entity.Nstd_linkage . _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 171 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic . _Entity.Thiol_state 'all free' _Entity.Src_method . _Entity.Parent_entity_ID 1 _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight . _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date 2015-11-24 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 4263 . "PTB domain of Drosophila Numb protein" . . . . . 93.57 160 100.00 100.00 8.91e-112 . . . . 4683 1 2 no PDB 1DDM . "Solution Structure Of The Numb Ptb Domain Complexed To A Nak Peptide" . . . . . 78.95 135 100.00 100.00 1.03e-92 . . . . 4683 1 3 no PDB 2NMB . "Dnumb Ptb Domain Complexed With A Phosphotyrosine Peptide, Nmr, Ensemble Of Structures" . . . . . 93.57 160 100.00 100.00 8.91e-112 . . . . 4683 1 4 no GB AAA28730 . "numb peptide (put.); putative [Drosophila melanogaster]" . . . . . 87.72 556 98.67 99.33 3.20e-102 . . . . 4683 1 5 no GB AAF52776 . "numb, isoform A [Drosophila melanogaster]" . . . . . 87.72 556 98.67 99.33 3.16e-102 . . . . 4683 1 6 no GB AAK93152 . "LD25907p [Drosophila melanogaster]" . . . . . 63.74 458 98.17 99.08 9.40e-71 . . . . 4683 1 7 no GB AAN10693 . "numb, isoform B [Drosophila melanogaster]" . . . . . 87.72 515 98.67 99.33 1.30e-102 . . . . 4683 1 8 no GB ACL68752 . "RE15808p [Drosophila melanogaster]" . . . . . 87.72 556 98.67 99.33 3.16e-102 . . . . 4683 1 9 no REF NP_001260291 . "numb, isoform D [Drosophila melanogaster]" . . . . . 87.72 556 98.67 99.33 3.16e-102 . . . . 4683 1 10 no REF NP_523523 . "numb, isoform A [Drosophila melanogaster]" . . . . . 87.72 556 98.67 99.33 3.16e-102 . . . . 4683 1 11 no REF NP_723460 . "numb, isoform B [Drosophila melanogaster]" . . . . . 87.72 515 98.67 99.33 1.30e-102 . . . . 4683 1 12 no REF XP_001357245 . "GA17683 [Drosophila pseudoobscura pseudoobscura]" . . . . . 87.72 559 98.67 99.33 3.08e-102 . . . . 4683 1 13 no REF XP_001964877 . "GF22745 [Drosophila ananassae]" . . . . . 87.72 556 98.00 98.67 1.99e-101 . . . . 4683 1 14 no SP P16554 . "RecName: Full=Protein numb" . . . . . 87.72 556 98.67 99.33 3.16e-102 . . . . 4683 1 stop_ loop_ _Entity_common_name.Name _Entity_common_name.Type _Entity_common_name.Entry_ID _Entity_common_name.Entity_ID 'dNumb PTB' common 4683 1 'dNumb PTB' abbreviation 4683 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 52 GLY . 4683 1 2 53 SER . 4683 1 3 54 PRO . 4683 1 4 55 GLY . 4683 1 5 56 ILE . 4683 1 6 57 PRO . 4683 1 7 58 ASP . 4683 1 8 59 ARG . 4683 1 9 60 VAL . 4683 1 10 61 PRO . 4683 1 11 62 GLU . 4683 1 12 63 SER . 4683 1 13 64 SER . 4683 1 14 65 LYS . 4683 1 15 66 PRO . 4683 1 16 67 HIS . 4683 1 17 68 GLN . 4683 1 18 69 TRP . 4683 1 19 70 GLN . 4683 1 20 71 ALA . 4683 1 21 72 ASP . 4683 1 22 73 GLU . 4683 1 23 74 GLU . 4683 1 24 75 ALA . 4683 1 25 76 VAL . 4683 1 26 77 ARG . 4683 1 27 78 SER . 4683 1 28 79 ALA . 4683 1 29 80 THR . 4683 1 30 81 CYS . 4683 1 31 82 SER . 4683 1 32 83 PHE . 4683 1 33 84 SER . 4683 1 34 85 VAL . 4683 1 35 86 LYS . 4683 1 36 87 TYR . 4683 1 37 88 LEU . 4683 1 38 89 GLY . 4683 1 39 90 CYS . 4683 1 40 91 VAL . 4683 1 41 92 GLU . 4683 1 42 93 VAL . 4683 1 43 94 PHE . 4683 1 44 95 GLU . 4683 1 45 96 SER . 4683 1 46 97 ARG . 4683 1 47 98 GLY . 4683 1 48 99 MET . 4683 1 49 100 GLN . 4683 1 50 101 VAL . 4683 1 51 102 CYS . 4683 1 52 103 GLU . 4683 1 53 104 GLU . 4683 1 54 105 ALA . 4683 1 55 106 LEU . 4683 1 56 107 LYS . 4683 1 57 108 VAL . 4683 1 58 109 LEU . 4683 1 59 110 ARG . 4683 1 60 111 GLN . 4683 1 61 112 SER . 4683 1 62 113 ARG . 4683 1 63 114 ARG . 4683 1 64 115 ARG . 4683 1 65 116 PRO . 4683 1 66 117 VAL . 4683 1 67 118 ARG . 4683 1 68 119 GLY . 4683 1 69 120 LEU . 4683 1 70 121 LEU . 4683 1 71 122 HIS . 4683 1 72 123 VAL . 4683 1 73 124 SER . 4683 1 74 125 GLY . 4683 1 75 126 ASP . 4683 1 76 127 GLY . 4683 1 77 128 LEU . 4683 1 78 129 ARG . 4683 1 79 130 VAL . 4683 1 80 131 VAL . 4683 1 81 132 ASP . 4683 1 82 133 ASP . 4683 1 83 134 GLU . 4683 1 84 135 THR . 4683 1 85 136 LYS . 4683 1 86 137 GLY . 4683 1 87 138 LEU . 4683 1 88 139 ILE . 4683 1 89 140 VAL . 4683 1 90 141 ASP . 4683 1 91 142 GLN . 4683 1 92 143 THR . 4683 1 93 144 ILE . 4683 1 94 145 GLU . 4683 1 95 146 LYS . 4683 1 96 147 VAL . 4683 1 97 148 SER . 4683 1 98 149 PHE . 4683 1 99 150 CYS . 4683 1 100 151 ALA . 4683 1 101 152 PRO . 4683 1 102 153 ASP . 4683 1 103 154 ARG . 4683 1 104 155 ASN . 4683 1 105 156 HIS . 4683 1 106 157 GLU . 4683 1 107 158 ARG . 4683 1 108 159 GLY . 4683 1 109 160 PHE . 4683 1 110 161 SER . 4683 1 111 162 TYR . 4683 1 112 163 ILE . 4683 1 113 164 CYS . 4683 1 114 165 ARG . 4683 1 115 166 ASP . 4683 1 116 167 GLY . 4683 1 117 168 THR . 4683 1 118 169 THR . 4683 1 119 170 ARG . 4683 1 120 171 ARG . 4683 1 121 172 TRP . 4683 1 122 173 MET . 4683 1 123 174 CYS . 4683 1 124 175 HIS . 4683 1 125 176 GLY . 4683 1 126 177 PHE . 4683 1 127 178 LEU . 4683 1 128 179 ALA . 4683 1 129 180 CYS . 4683 1 130 181 LYS . 4683 1 131 182 ASP . 4683 1 132 183 SER . 4683 1 133 184 GLY . 4683 1 134 185 GLU . 4683 1 135 186 ARG . 4683 1 136 187 LEU . 4683 1 137 188 SER . 4683 1 138 189 HIS . 4683 1 139 190 ALA . 4683 1 140 191 VAL . 4683 1 141 192 GLY . 4683 1 142 193 CYS . 4683 1 143 194 ALA . 4683 1 144 195 PHE . 4683 1 145 196 ALA . 4683 1 146 197 VAL . 4683 1 147 198 CYS . 4683 1 148 199 LEU . 4683 1 149 200 GLU . 4683 1 150 201 ARG . 4683 1 151 202 LYS . 4683 1 152 203 GLN . 4683 1 153 204 ARG . 4683 1 154 205 ARG . 4683 1 155 206 THR . 4683 1 156 207 ARG . 4683 1 157 208 ALA . 4683 1 158 209 ALA . 4683 1 159 210 ALA . 4683 1 160 211 SER . 4683 1 161 1 GLY . 4683 1 162 2 PHE . 4683 1 163 3 SER . 4683 1 164 4 ASN . 4683 1 165 5 MET . 4683 1 166 6 SER . 4683 1 167 7 PHE . 4683 1 168 8 GLU . 4683 1 169 9 ASP . 4683 1 170 10 PHE . 4683 1 171 11 PRO . 4683 1 stop_ loop_ _Entity_poly_seq.Hetero _Entity_poly_seq.Mon_ID _Entity_poly_seq.Num _Entity_poly_seq.Comp_index_ID _Entity_poly_seq.Entry_ID _Entity_poly_seq.Entity_ID . GLY 1 1 4683 1 . SER 2 2 4683 1 . PRO 3 3 4683 1 . GLY 4 4 4683 1 . ILE 5 5 4683 1 . PRO 6 6 4683 1 . ASP 7 7 4683 1 . ARG 8 8 4683 1 . VAL 9 9 4683 1 . PRO 10 10 4683 1 . GLU 11 11 4683 1 . SER 12 12 4683 1 . SER 13 13 4683 1 . LYS 14 14 4683 1 . PRO 15 15 4683 1 . HIS 16 16 4683 1 . GLN 17 17 4683 1 . TRP 18 18 4683 1 . GLN 19 19 4683 1 . ALA 20 20 4683 1 . ASP 21 21 4683 1 . GLU 22 22 4683 1 . GLU 23 23 4683 1 . ALA 24 24 4683 1 . VAL 25 25 4683 1 . ARG 26 26 4683 1 . SER 27 27 4683 1 . ALA 28 28 4683 1 . THR 29 29 4683 1 . CYS 30 30 4683 1 . SER 31 31 4683 1 . PHE 32 32 4683 1 . SER 33 33 4683 1 . VAL 34 34 4683 1 . LYS 35 35 4683 1 . TYR 36 36 4683 1 . LEU 37 37 4683 1 . GLY 38 38 4683 1 . CYS 39 39 4683 1 . VAL 40 40 4683 1 . GLU 41 41 4683 1 . VAL 42 42 4683 1 . PHE 43 43 4683 1 . GLU 44 44 4683 1 . SER 45 45 4683 1 . ARG 46 46 4683 1 . GLY 47 47 4683 1 . MET 48 48 4683 1 . GLN 49 49 4683 1 . VAL 50 50 4683 1 . CYS 51 51 4683 1 . GLU 52 52 4683 1 . GLU 53 53 4683 1 . ALA 54 54 4683 1 . LEU 55 55 4683 1 . LYS 56 56 4683 1 . VAL 57 57 4683 1 . LEU 58 58 4683 1 . ARG 59 59 4683 1 . GLN 60 60 4683 1 . SER 61 61 4683 1 . ARG 62 62 4683 1 . ARG 63 63 4683 1 . ARG 64 64 4683 1 . PRO 65 65 4683 1 . VAL 66 66 4683 1 . ARG 67 67 4683 1 . GLY 68 68 4683 1 . LEU 69 69 4683 1 . LEU 70 70 4683 1 . HIS 71 71 4683 1 . VAL 72 72 4683 1 . SER 73 73 4683 1 . GLY 74 74 4683 1 . ASP 75 75 4683 1 . GLY 76 76 4683 1 . LEU 77 77 4683 1 . ARG 78 78 4683 1 . VAL 79 79 4683 1 . VAL 80 80 4683 1 . ASP 81 81 4683 1 . ASP 82 82 4683 1 . GLU 83 83 4683 1 . THR 84 84 4683 1 . LYS 85 85 4683 1 . GLY 86 86 4683 1 . LEU 87 87 4683 1 . ILE 88 88 4683 1 . VAL 89 89 4683 1 . ASP 90 90 4683 1 . GLN 91 91 4683 1 . THR 92 92 4683 1 . ILE 93 93 4683 1 . GLU 94 94 4683 1 . LYS 95 95 4683 1 . VAL 96 96 4683 1 . SER 97 97 4683 1 . PHE 98 98 4683 1 . CYS 99 99 4683 1 . ALA 100 100 4683 1 . PRO 101 101 4683 1 . ASP 102 102 4683 1 . ARG 103 103 4683 1 . ASN 104 104 4683 1 . HIS 105 105 4683 1 . GLU 106 106 4683 1 . ARG 107 107 4683 1 . GLY 108 108 4683 1 . PHE 109 109 4683 1 . SER 110 110 4683 1 . TYR 111 111 4683 1 . ILE 112 112 4683 1 . CYS 113 113 4683 1 . ARG 114 114 4683 1 . ASP 115 115 4683 1 . GLY 116 116 4683 1 . THR 117 117 4683 1 . THR 118 118 4683 1 . ARG 119 119 4683 1 . ARG 120 120 4683 1 . TRP 121 121 4683 1 . MET 122 122 4683 1 . CYS 123 123 4683 1 . HIS 124 124 4683 1 . GLY 125 125 4683 1 . PHE 126 126 4683 1 . LEU 127 127 4683 1 . ALA 128 128 4683 1 . CYS 129 129 4683 1 . LYS 130 130 4683 1 . ASP 131 131 4683 1 . SER 132 132 4683 1 . GLY 133 133 4683 1 . GLU 134 134 4683 1 . ARG 135 135 4683 1 . LEU 136 136 4683 1 . SER 137 137 4683 1 . HIS 138 138 4683 1 . ALA 139 139 4683 1 . VAL 140 140 4683 1 . GLY 141 141 4683 1 . CYS 142 142 4683 1 . ALA 143 143 4683 1 . PHE 144 144 4683 1 . ALA 145 145 4683 1 . VAL 146 146 4683 1 . CYS 147 147 4683 1 . LEU 148 148 4683 1 . GLU 149 149 4683 1 . ARG 150 150 4683 1 . LYS 151 151 4683 1 . GLN 152 152 4683 1 . ARG 153 153 4683 1 . ARG 154 154 4683 1 . THR 155 155 4683 1 . ARG 156 156 4683 1 . ALA 157 157 4683 1 . ALA 158 158 4683 1 . ALA 159 159 4683 1 . SER 160 160 4683 1 . GLY 161 161 4683 1 . PHE 162 162 4683 1 . SER 163 163 4683 1 . ASN 164 164 4683 1 . MET 165 165 4683 1 . SER 166 166 4683 1 . PHE 167 167 4683 1 . GLU 168 168 4683 1 . ASP 169 169 4683 1 . PHE 170 170 4683 1 . PRO 171 171 4683 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 4683 _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 $dNumb_PTB . 32346 organism . 'Drosophila melanogaster' 'Drosophila melanogaster' . . Eukaryota . Drosophila melanogaster . . . . . . . . . . . . . . . . . . . . . 4683 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 4683 _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 $dNumb_PTB . 'recombinant technology' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 4683 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 4683 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system . _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 'dNumb PTB' '[U-95% 13C; U-95% 15N]' . . 1 $dNumb_PTB . . 1.2 . . mM . . . . 4683 1 stop_ save_ save_sample_2 _Sample.Sf_category sample _Sample.Sf_framecode sample_2 _Sample.Entry_ID 4683 _Sample.ID 2 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system . _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 'dNumb PTB' '[U-95% 15N]' . . 1 $dNumb_PTB . . 1.2 . . mM . . . . 4683 2 stop_ save_ save_sample_3 _Sample.Sf_category sample _Sample.Sf_framecode sample_3 _Sample.Entry_ID 4683 _Sample.ID 3 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system . _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 'dNumb PTB' '[U-10% 13C; U-90% 15N]' . . 1 $dNumb_PTB . . 1.0 . . mM . . . . 4683 3 stop_ save_ ####################### # Sample conditions # ####################### save_cond_1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode cond_1 _Sample_condition_list.Entry_ID 4683 _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 pH 6.5 0.2 pH 4683 1 temperature 303 1 K 4683 1 'ionic strength' 0.15 0.02 M 4683 1 stop_ save_ ############################ # Computer software used # ############################ save_NMRPipe _Software.Sf_category software _Software.Sf_framecode NMRPipe _Software.Entry_ID 4683 _Software.ID 1 _Software.Name NMRPipe _Software.Version . _Software.Details . loop_ _Task.Task _Task.Entry_ID _Task.Software_ID Processing 4683 1 stop_ loop_ _Software_citation.Citation_ID _Software_citation.Citation_label _Software_citation.Entry_ID _Software_citation.Software_ID 2 $ref_1 4683 1 stop_ save_ save_NMRView _Software.Sf_category software _Software.Sf_framecode NMRView _Software.Entry_ID 4683 _Software.ID 2 _Software.Name NMRView _Software.Version . _Software.Details . loop_ _Task.Task _Task.Entry_ID _Task.Software_ID Analysis 4683 2 stop_ loop_ _Software_citation.Citation_ID _Software_citation.Citation_label _Software_citation.Entry_ID _Software_citation.Software_ID 3 $ref_2 4683 2 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 4683 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Varian _NMR_spectrometer.Model INOVA _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ save_spectrometer_2 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_2 _NMR_spectrometer.Entry_ID 4683 _NMR_spectrometer.ID 2 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Varian _NMR_spectrometer.Model INOVA _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 500 save_ save_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode spectrometer_list _NMR_spectrometer_list.Entry_ID 4683 _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 Varian INOVA . 600 . . . 4683 1 2 spectrometer_2 Varian INOVA . 500 . . . 4683 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 4683 _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 '1H-15N NOESY' . . . . . . . . . . . . . . . . 1 $cond_1 . . . . . . . . . . . . . . . . . . . . . 4683 1 2 '1H-13C NOESY' . . . . . . . . . . . . . . . . 1 $cond_1 . . . . . . . . . . . . . . . . . . . . . 4683 1 3 HNCA . . . . . . . . . . . . . . . . 1 $cond_1 . . . . . . . . . . . . . . . . . . . . . 4683 1 4 HNCACB . . . . . . . . . . . . . . . . 1 $cond_1 . . . . . . . . . . . . . . . . . . . . . 4683 1 5 CBCACONNH . . . . . . . . . . . . . . . . 1 $cond_1 . . . . . . . . . . . . . . . . . . . . . 4683 1 6 HBCBCACONNH . . . . . . . . . . . . . . . . 1 $cond_1 . . . . . . . . . . . . . . . . . . . . . 4683 1 7 CCC-TOCSY-CONNH . . . . . . . . . . . . . . . . 1 $cond_1 . . . . . . . . . . . . . . . . . . . . . 4683 1 8 HCC-TOCSY-CONNH . . . . . . . . . . . . . . . . 1 $cond_1 . . . . . . . . . . . . . . . . . . . . . 4683 1 9 HCCH-TOCSY . . . . . . . . . . . . . . . . 1 $cond_1 . . . . . . . . . . . . . . . . . . . . . 4683 1 stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chemical_shift_reference _Chem_shift_reference.Entry_ID 4683 _Chem_shift_reference.ID 1 _Chem_shift_reference.Details . loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Indirect_shift_ratio_cit_ID _Chem_shift_ref.Indirect_shift_ratio_cit_label _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Correction_val_cit_ID _Chem_shift_ref.Correction_val_cit_label _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID H 1 H2O protons . . . . ppm 4.75 internal direct . internal cylindrical parallel_to_Bo . . . . . . 4683 1 N 15 urea nitrogen . . . . ppm 78.98 . direct . external cylindrical parallel_to_Bo . . . . . . 4683 1 C 13 acetate 'methyl carbons' . . . . ppm 25.85 . direct . external cylindrical parallel_to_Bo . . . . . . 4683 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_shift_set_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode shift_set_1 _Assigned_chem_shift_list.Entry_ID 4683 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $cond_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID . . 1 $sample_1 . 4683 1 . . 2 $sample_2 . 4683 1 . . 3 $sample_3 . 4683 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 3 3 PRO CA C 13 63.526 0.10 . 1 . . . . . . . . 4683 1 2 . 1 1 3 3 PRO HA H 1 4.431 0.05 . 1 . . . . . . . . 4683 1 3 . 1 1 3 3 PRO CB C 13 31.819 0.10 . 1 . . . . . . . . 4683 1 4 . 1 1 3 3 PRO HB2 H 1 1.953 0.05 . 1 . . . . . . . . 4683 1 5 . 1 1 3 3 PRO HB3 H 1 2.301 0.05 . 1 . . . . . . . . 4683 1 6 . 1 1 3 3 PRO CG C 13 27.255 0.10 . 1 . . . . . . . . 4683 1 7 . 1 1 3 3 PRO HG2 H 1 2.036 0.05 . 1 . . . . . . . . 4683 1 8 . 1 1 3 3 PRO HG3 H 1 2.036 0.05 . 1 . . . . . . . . 4683 1 9 . 1 1 3 3 PRO CD C 13 50.596 0.10 . 1 . . . . . . . . 4683 1 10 . 1 1 3 3 PRO HD2 H 1 3.751 0.05 . 1 . . . . . . . . 4683 1 11 . 1 1 3 3 PRO HD3 H 1 3.834 0.05 . 1 . . . . . . . . 4683 1 12 . 1 1 3 3 PRO C C 13 177.223 0.10 . 1 . . . . . . . . 4683 1 13 . 1 1 4 4 GLY N N 15 109.686 0.10 . 1 . . . . . . . . 4683 1 14 . 1 1 4 4 GLY H H 1 8.428 0.05 . 1 . . . . . . . . 4683 1 15 . 1 1 4 4 GLY CA C 13 45.066 0.10 . 1 . . . . . . . . 4683 1 16 . 1 1 4 4 GLY HA2 H 1 3.893 0.05 . 1 . . . . . . . . 4683 1 17 . 1 1 4 4 GLY HA3 H 1 3.893 0.05 . 1 . . . . . . . . 4683 1 18 . 1 1 4 4 GLY C C 13 172.599 0.10 . 1 . . . . . . . . 4683 1 19 . 1 1 5 5 ILE N N 15 119.737 0.10 . 1 . . . . . . . . 4683 1 20 . 1 1 5 5 ILE H H 1 7.657 0.05 . 1 . . . . . . . . 4683 1 21 . 1 1 6 6 PRO CA C 13 63.061 0.10 . 1 . . . . . . . . 4683 1 22 . 1 1 6 6 PRO HA H 1 4.422 0.05 . 1 . . . . . . . . 4683 1 23 . 1 1 6 6 PRO CB C 13 31.990 0.10 . 1 . . . . . . . . 4683 1 24 . 1 1 6 6 PRO HB2 H 1 1.904 0.05 . 1 . . . . . . . . 4683 1 25 . 1 1 6 6 PRO HB3 H 1 2.288 0.05 . 1 . . . . . . . . 4683 1 26 . 1 1 6 6 PRO CG C 13 27.180 0.10 . 1 . . . . . . . . 4683 1 27 . 1 1 6 6 PRO HG2 H 1 1.990 0.05 . 1 . . . . . . . . 4683 1 28 . 1 1 6 6 PRO HG3 H 1 1.990 0.05 . 1 . . . . . . . . 4683 1 29 . 1 1 6 6 PRO CD C 13 50.824 0.10 . 1 . . . . . . . . 4683 1 30 . 1 1 6 6 PRO HD2 H 1 3.849 0.05 . 1 . . . . . . . . 4683 1 31 . 1 1 6 6 PRO HD3 H 1 3.687 0.05 . 1 . . . . . . . . 4683 1 32 . 1 1 6 6 PRO C C 13 176.396 0.10 . 1 . . . . . . . . 4683 1 33 . 1 1 7 7 ASP N N 15 120.793 0.10 . 1 . . . . . . . . 4683 1 34 . 1 1 7 7 ASP H H 1 8.340 0.05 . 1 . . . . . . . . 4683 1 35 . 1 1 7 7 ASP CA C 13 54.381 0.10 . 1 . . . . . . . . 4683 1 36 . 1 1 7 7 ASP HA H 1 4.535 0.05 . 1 . . . . . . . . 4683 1 37 . 1 1 7 7 ASP CB C 13 41.021 0.10 . 1 . . . . . . . . 4683 1 38 . 1 1 7 7 ASP HB2 H 1 2.634 0.05 . 1 . . . . . . . . 4683 1 39 . 1 1 7 7 ASP HB3 H 1 2.634 0.05 . 1 . . . . . . . . 4683 1 40 . 1 1 7 7 ASP C C 13 175.873 0.10 . 1 . . . . . . . . 4683 1 41 . 1 1 8 8 ARG N N 15 121.128 0.10 . 1 . . . . . . . . 4683 1 42 . 1 1 8 8 ARG H H 1 8.156 0.05 . 1 . . . . . . . . 4683 1 43 . 1 1 8 8 ARG CA C 13 55.538 0.10 . 1 . . . . . . . . 4683 1 44 . 1 1 8 8 ARG HA H 1 4.368 0.05 . 1 . . . . . . . . 4683 1 45 . 1 1 8 8 ARG CB C 13 30.893 0.10 . 1 . . . . . . . . 4683 1 46 . 1 1 8 8 ARG HB2 H 1 1.776 0.05 . 1 . . . . . . . . 4683 1 47 . 1 1 8 8 ARG HB3 H 1 1.776 0.05 . 1 . . . . . . . . 4683 1 48 . 1 1 8 8 ARG CG C 13 26.850 0.10 . 1 . . . . . . . . 4683 1 49 . 1 1 8 8 ARG HG2 H 1 1.588 0.05 . 1 . . . . . . . . 4683 1 50 . 1 1 8 8 ARG HG3 H 1 1.588 0.05 . 1 . . . . . . . . 4683 1 51 . 1 1 8 8 ARG CD C 13 43.203 0.10 . 1 . . . . . . . . 4683 1 52 . 1 1 8 8 ARG HD2 H 1 3.185 0.05 . 1 . . . . . . . . 4683 1 53 . 1 1 8 8 ARG HD3 H 1 3.185 0.05 . 1 . . . . . . . . 4683 1 54 . 1 1 8 8 ARG C C 13 175.766 0.10 . 1 . . . . . . . . 4683 1 55 . 1 1 9 9 VAL N N 15 123.575 0.10 . 1 . . . . . . . . 4683 1 56 . 1 1 9 9 VAL H H 1 8.254 0.05 . 1 . . . . . . . . 4683 1 57 . 1 1 9 9 VAL CA C 13 59.872 0.10 . 1 . . . . . . . . 4683 1 58 . 1 1 9 9 VAL HA H 1 4.398 0.05 . 1 . . . . . . . . 4683 1 59 . 1 1 9 9 VAL CB C 13 32.310 0.10 . 1 . . . . . . . . 4683 1 60 . 1 1 9 9 VAL HB H 1 2.087 0.05 . 1 . . . . . . . . 4683 1 61 . 1 1 9 9 VAL CG2 C 13 20.267 0.10 . 1 . . . . . . . . 4683 1 62 . 1 1 9 9 VAL HG21 H 1 0.958 0.05 . 1 . . . . . . . . 4683 1 63 . 1 1 9 9 VAL HG22 H 1 0.958 0.05 . 1 . . . . . . . . 4683 1 64 . 1 1 9 9 VAL HG23 H 1 0.958 0.05 . 1 . . . . . . . . 4683 1 65 . 1 1 9 9 VAL CG1 C 13 21.014 0.10 . 1 . . . . . . . . 4683 1 66 . 1 1 9 9 VAL HG11 H 1 0.958 0.05 . 1 . . . . . . . . 4683 1 67 . 1 1 9 9 VAL HG12 H 1 0.958 0.05 . 1 . . . . . . . . 4683 1 68 . 1 1 9 9 VAL HG13 H 1 0.958 0.05 . 1 . . . . . . . . 4683 1 69 . 1 1 10 10 PRO CA C 13 63.071 0.10 . 1 . . . . . . . . 4683 1 70 . 1 1 10 10 PRO HA H 1 4.403 0.05 . 1 . . . . . . . . 4683 1 71 . 1 1 10 10 PRO CB C 13 31.965 0.10 . 1 . . . . . . . . 4683 1 72 . 1 1 10 10 PRO HB2 H 1 1.908 0.05 . 1 . . . . . . . . 4683 1 73 . 1 1 10 10 PRO HB3 H 1 2.309 0.05 . 1 . . . . . . . . 4683 1 74 . 1 1 10 10 PRO CG C 13 27.343 0.10 . 1 . . . . . . . . 4683 1 75 . 1 1 10 10 PRO HG2 H 1 2.000 0.05 . 1 . . . . . . . . 4683 1 76 . 1 1 10 10 PRO HG3 H 1 2.000 0.05 . 1 . . . . . . . . 4683 1 77 . 1 1 10 10 PRO CD C 13 50.829 0.10 . 1 . . . . . . . . 4683 1 78 . 1 1 10 10 PRO HD2 H 1 3.880 0.05 . 1 . . . . . . . . 4683 1 79 . 1 1 10 10 PRO HD3 H 1 3.683 0.05 . 1 . . . . . . . . 4683 1 80 . 1 1 10 10 PRO C C 13 176.960 0.10 . 1 . . . . . . . . 4683 1 81 . 1 1 11 11 GLU N N 15 122.050 0.10 . 1 . . . . . . . . 4683 1 82 . 1 1 11 11 GLU H H 1 8.598 0.05 . 1 . . . . . . . . 4683 1 83 . 1 1 11 11 GLU CA C 13 57.034 0.10 . 1 . . . . . . . . 4683 1 84 . 1 1 11 11 GLU HA H 1 4.211 0.05 . 1 . . . . . . . . 4683 1 85 . 1 1 11 11 GLU CB C 13 29.954 0.10 . 1 . . . . . . . . 4683 1 86 . 1 1 11 11 GLU HB2 H 1 2.020 0.05 . 1 . . . . . . . . 4683 1 87 . 1 1 11 11 GLU HB3 H 1 2.020 0.05 . 1 . . . . . . . . 4683 1 88 . 1 1 11 11 GLU CG C 13 36.143 0.10 . 1 . . . . . . . . 4683 1 89 . 1 1 11 11 GLU HG2 H 1 2.322 0.05 . 1 . . . . . . . . 4683 1 90 . 1 1 11 11 GLU HG3 H 1 2.322 0.05 . 1 . . . . . . . . 4683 1 91 . 1 1 11 11 GLU C C 13 176.749 0.10 . 1 . . . . . . . . 4683 1 92 . 1 1 12 12 SER N N 15 116.328 0.10 . 1 . . . . . . . . 4683 1 93 . 1 1 12 12 SER H H 1 8.322 0.05 . 1 . . . . . . . . 4683 1 94 . 1 1 12 12 SER CA C 13 58.302 0.10 . 1 . . . . . . . . 4683 1 95 . 1 1 12 12 SER HA H 1 4.425 0.05 . 1 . . . . . . . . 4683 1 96 . 1 1 12 12 SER CB C 13 63.576 0.10 . 1 . . . . . . . . 4683 1 97 . 1 1 12 12 SER HB2 H 1 3.880 0.05 . 1 . . . . . . . . 4683 1 98 . 1 1 12 12 SER HB3 H 1 3.880 0.05 . 1 . . . . . . . . 4683 1 99 . 1 1 12 12 SER C C 13 174.483 0.10 . 1 . . . . . . . . 4683 1 100 . 1 1 13 13 SER N N 15 118.015 0.10 . 1 . . . . . . . . 4683 1 101 . 1 1 13 13 SER H H 1 8.242 0.05 . 1 . . . . . . . . 4683 1 102 . 1 1 13 13 SER CA C 13 58.217 0.10 . 1 . . . . . . . . 4683 1 103 . 1 1 13 13 SER HA H 1 4.458 0.05 . 1 . . . . . . . . 4683 1 104 . 1 1 13 13 SER CB C 13 63.720 0.10 . 1 . . . . . . . . 4683 1 105 . 1 1 13 13 SER HB2 H 1 3.862 0.05 . 1 . . . . . . . . 4683 1 106 . 1 1 13 13 SER HB3 H 1 3.862 0.05 . 1 . . . . . . . . 4683 1 107 . 1 1 13 13 SER C C 13 173.934 0.10 . 1 . . . . . . . . 4683 1 108 . 1 1 14 14 LYS N N 15 124.120 0.10 . 1 . . . . . . . . 4683 1 109 . 1 1 14 14 LYS H H 1 8.108 0.05 . 1 . . . . . . . . 4683 1 110 . 1 1 14 14 LYS CA C 13 54.982 0.10 . 1 . . . . . . . . 4683 1 111 . 1 1 14 14 LYS HA H 1 4.440 0.05 . 1 . . . . . . . . 4683 1 112 . 1 1 14 14 LYS CB C 13 32.000 0.10 . 1 . . . . . . . . 4683 1 113 . 1 1 14 14 LYS HB2 H 1 1.616 0.05 . 1 . . . . . . . . 4683 1 114 . 1 1 14 14 LYS HB3 H 1 1.280 0.05 . 1 . . . . . . . . 4683 1 115 . 1 1 14 14 LYS CG C 13 21.913 0.10 . 1 . . . . . . . . 4683 1 116 . 1 1 14 14 LYS HG2 H 1 1.345 0.05 . 1 . . . . . . . . 4683 1 117 . 1 1 14 14 LYS HG3 H 1 1.252 0.05 . 1 . . . . . . . . 4683 1 118 . 1 1 14 14 LYS CE C 13 41.872 0.10 . 1 . . . . . . . . 4683 1 119 . 1 1 14 14 LYS HE2 H 1 2.887 0.05 . 1 . . . . . . . . 4683 1 120 . 1 1 14 14 LYS HE3 H 1 2.887 0.05 . 1 . . . . . . . . 4683 1 121 . 1 1 15 15 PRO CA C 13 63.374 0.10 . 1 . . . . . . . . 4683 1 122 . 1 1 15 15 PRO HA H 1 4.207 0.05 . 1 . . . . . . . . 4683 1 123 . 1 1 15 15 PRO CB C 13 31.575 0.10 . 1 . . . . . . . . 4683 1 124 . 1 1 15 15 PRO HB2 H 1 1.589 0.05 . 1 . . . . . . . . 4683 1 125 . 1 1 15 15 PRO HB3 H 1 2.154 0.05 . 1 . . . . . . . . 4683 1 126 . 1 1 15 15 PRO CG C 13 27.304 0.10 . 1 . . . . . . . . 4683 1 127 . 1 1 15 15 PRO HG2 H 1 1.771 0.05 . 1 . . . . . . . . 4683 1 128 . 1 1 15 15 PRO HG3 H 1 1.771 0.05 . 1 . . . . . . . . 4683 1 129 . 1 1 15 15 PRO CD C 13 50.122 0.10 . 1 . . . . . . . . 4683 1 130 . 1 1 15 15 PRO HD2 H 1 3.610 0.05 . 1 . . . . . . . . 4683 1 131 . 1 1 15 15 PRO HD3 H 1 3.304 0.05 . 1 . . . . . . . . 4683 1 132 . 1 1 15 15 PRO C C 13 177.326 0.10 . 1 . . . . . . . . 4683 1 133 . 1 1 16 16 HIS N N 15 119.695 0.10 . 1 . . . . . . . . 4683 1 134 . 1 1 16 16 HIS H H 1 8.365 0.05 . 1 . . . . . . . . 4683 1 135 . 1 1 16 16 HIS CA C 13 56.744 0.10 . 1 . . . . . . . . 4683 1 136 . 1 1 16 16 HIS HA H 1 4.368 0.05 . 1 . . . . . . . . 4683 1 137 . 1 1 16 16 HIS CB C 13 29.081 0.10 . 1 . . . . . . . . 4683 1 138 . 1 1 16 16 HIS HB2 H 1 3.049 0.05 . 1 . . . . . . . . 4683 1 139 . 1 1 16 16 HIS HB3 H 1 3.049 0.05 . 1 . . . . . . . . 4683 1 140 . 1 1 16 16 HIS HD2 H 1 7.150 0.05 . 1 . . . . . . . . 4683 1 141 . 1 1 16 16 HIS C C 13 175.868 0.10 . 1 . . . . . . . . 4683 1 142 . 1 1 17 17 GLN N N 15 121.690 0.10 . 1 . . . . . . . . 4683 1 143 . 1 1 17 17 GLN H H 1 8.291 0.05 . 1 . . . . . . . . 4683 1 144 . 1 1 17 17 GLN CA C 13 57.428 0.10 . 1 . . . . . . . . 4683 1 145 . 1 1 17 17 GLN HA H 1 4.033 0.05 . 1 . . . . . . . . 4683 1 146 . 1 1 17 17 GLN CB C 13 28.753 0.10 . 1 . . . . . . . . 4683 1 147 . 1 1 17 17 GLN HB2 H 1 1.783 0.05 . 1 . . . . . . . . 4683 1 148 . 1 1 17 17 GLN HB3 H 1 1.783 0.05 . 1 . . . . . . . . 4683 1 149 . 1 1 17 17 GLN CG C 13 33.350 0.10 . 1 . . . . . . . . 4683 1 150 . 1 1 17 17 GLN HG2 H 1 1.938 0.05 . 1 . . . . . . . . 4683 1 151 . 1 1 17 17 GLN HG3 H 1 1.938 0.05 . 1 . . . . . . . . 4683 1 152 . 1 1 17 17 GLN NE2 N 15 111.853 0.10 . 1 . . . . . . . . 4683 1 153 . 1 1 17 17 GLN HE21 H 1 7.077 0.05 . 1 . . . . . . . . 4683 1 154 . 1 1 17 17 GLN HE22 H 1 6.795 0.05 . 1 . . . . . . . . 4683 1 155 . 1 1 17 17 GLN C C 13 176.380 0.10 . 1 . . . . . . . . 4683 1 156 . 1 1 18 18 TRP N N 15 120.178 0.10 . 1 . . . . . . . . 4683 1 157 . 1 1 18 18 TRP H H 1 8.557 0.05 . 1 . . . . . . . . 4683 1 158 . 1 1 18 18 TRP CA C 13 57.413 0.10 . 1 . . . . . . . . 4683 1 159 . 1 1 18 18 TRP HA H 1 4.776 0.05 . 1 . . . . . . . . 4683 1 160 . 1 1 18 18 TRP CB C 13 27.901 0.10 . 1 . . . . . . . . 4683 1 161 . 1 1 18 18 TRP HB2 H 1 2.969 0.05 . 1 . . . . . . . . 4683 1 162 . 1 1 18 18 TRP HB3 H 1 3.238 0.05 . 1 . . . . . . . . 4683 1 163 . 1 1 18 18 TRP HD1 H 1 6.954 0.05 . 1 . . . . . . . . 4683 1 164 . 1 1 18 18 TRP HE3 H 1 6.956 0.05 . 1 . . . . . . . . 4683 1 165 . 1 1 18 18 TRP C C 13 178.061 0.10 . 1 . . . . . . . . 4683 1 166 . 1 1 19 19 GLN N N 15 121.399 0.10 . 1 . . . . . . . . 4683 1 167 . 1 1 19 19 GLN H H 1 8.002 0.05 . 1 . . . . . . . . 4683 1 168 . 1 1 19 19 GLN CA C 13 59.098 0.10 . 1 . . . . . . . . 4683 1 169 . 1 1 19 19 GLN HA H 1 4.123 0.05 . 1 . . . . . . . . 4683 1 170 . 1 1 19 19 GLN CB C 13 28.155 0.10 . 1 . . . . . . . . 4683 1 171 . 1 1 19 19 GLN HB2 H 1 2.226 0.05 . 1 . . . . . . . . 4683 1 172 . 1 1 19 19 GLN HB3 H 1 2.226 0.05 . 1 . . . . . . . . 4683 1 173 . 1 1 19 19 GLN CG C 13 33.607 0.10 . 1 . . . . . . . . 4683 1 174 . 1 1 19 19 GLN HG2 H 1 2.418 0.05 . 1 . . . . . . . . 4683 1 175 . 1 1 19 19 GLN HG3 H 1 2.418 0.05 . 1 . . . . . . . . 4683 1 176 . 1 1 19 19 GLN NE2 N 15 112.071 0.10 . 1 . . . . . . . . 4683 1 177 . 1 1 19 19 GLN HE21 H 1 7.579 0.05 . 1 . . . . . . . . 4683 1 178 . 1 1 19 19 GLN HE22 H 1 6.827 0.05 . 1 . . . . . . . . 4683 1 179 . 1 1 19 19 GLN C C 13 178.278 0.10 . 1 . . . . . . . . 4683 1 180 . 1 1 20 20 ALA N N 15 122.101 0.10 . 1 . . . . . . . . 4683 1 181 . 1 1 20 20 ALA H H 1 8.448 0.05 . 1 . . . . . . . . 4683 1 182 . 1 1 20 20 ALA CA C 13 54.654 0.10 . 1 . . . . . . . . 4683 1 183 . 1 1 20 20 ALA HA H 1 4.215 0.05 . 1 . . . . . . . . 4683 1 184 . 1 1 20 20 ALA CB C 13 17.744 0.10 . 1 . . . . . . . . 4683 1 185 . 1 1 20 20 ALA HB1 H 1 1.494 0.05 . 1 . . . . . . . . 4683 1 186 . 1 1 20 20 ALA HB2 H 1 1.494 0.05 . 1 . . . . . . . . 4683 1 187 . 1 1 20 20 ALA HB3 H 1 1.494 0.05 . 1 . . . . . . . . 4683 1 188 . 1 1 20 20 ALA C C 13 180.386 0.10 . 1 . . . . . . . . 4683 1 189 . 1 1 21 21 ASP N N 15 119.834 0.10 . 1 . . . . . . . . 4683 1 190 . 1 1 21 21 ASP H H 1 8.160 0.05 . 1 . . . . . . . . 4683 1 191 . 1 1 21 21 ASP CA C 13 56.643 0.10 . 1 . . . . . . . . 4683 1 192 . 1 1 21 21 ASP HA H 1 4.428 0.05 . 1 . . . . . . . . 4683 1 193 . 1 1 21 21 ASP CB C 13 39.256 0.10 . 1 . . . . . . . . 4683 1 194 . 1 1 21 21 ASP HB2 H 1 2.669 0.05 . 1 . . . . . . . . 4683 1 195 . 1 1 21 21 ASP HB3 H 1 3.074 0.05 . 1 . . . . . . . . 4683 1 196 . 1 1 21 21 ASP C C 13 177.605 0.10 . 1 . . . . . . . . 4683 1 197 . 1 1 22 22 GLU N N 15 120.303 0.10 . 1 . . . . . . . . 4683 1 198 . 1 1 22 22 GLU H H 1 7.927 0.05 . 1 . . . . . . . . 4683 1 199 . 1 1 22 22 GLU CA C 13 60.032 0.10 . 1 . . . . . . . . 4683 1 200 . 1 1 22 22 GLU HA H 1 3.912 0.05 . 1 . . . . . . . . 4683 1 201 . 1 1 22 22 GLU CB C 13 28.711 0.10 . 1 . . . . . . . . 4683 1 202 . 1 1 22 22 GLU HB2 H 1 2.292 0.05 . 1 . . . . . . . . 4683 1 203 . 1 1 22 22 GLU HB3 H 1 2.292 0.05 . 1 . . . . . . . . 4683 1 204 . 1 1 22 22 GLU CG C 13 36.305 0.10 . 1 . . . . . . . . 4683 1 205 . 1 1 22 22 GLU HG2 H 1 2.383 0.05 . 1 . . . . . . . . 4683 1 206 . 1 1 22 22 GLU HG3 H 1 2.383 0.05 . 1 . . . . . . . . 4683 1 207 . 1 1 22 22 GLU C C 13 178.421 0.10 . 1 . . . . . . . . 4683 1 208 . 1 1 23 23 GLU N N 15 118.216 0.10 . 1 . . . . . . . . 4683 1 209 . 1 1 23 23 GLU H H 1 7.658 0.05 . 1 . . . . . . . . 4683 1 210 . 1 1 23 23 GLU CA C 13 58.806 0.10 . 1 . . . . . . . . 4683 1 211 . 1 1 23 23 GLU HA H 1 3.996 0.05 . 1 . . . . . . . . 4683 1 212 . 1 1 23 23 GLU CB C 13 28.845 0.10 . 1 . . . . . . . . 4683 1 213 . 1 1 23 23 GLU HB2 H 1 2.086 0.05 . 1 . . . . . . . . 4683 1 214 . 1 1 23 23 GLU HB3 H 1 2.086 0.05 . 1 . . . . . . . . 4683 1 215 . 1 1 23 23 GLU CG C 13 35.858 0.10 . 1 . . . . . . . . 4683 1 216 . 1 1 23 23 GLU HG2 H 1 2.339 0.05 . 1 . . . . . . . . 4683 1 217 . 1 1 23 23 GLU HG3 H 1 2.339 0.05 . 1 . . . . . . . . 4683 1 218 . 1 1 23 23 GLU C C 13 178.828 0.10 . 1 . . . . . . . . 4683 1 219 . 1 1 24 24 ALA N N 15 123.585 0.10 . 1 . . . . . . . . 4683 1 220 . 1 1 24 24 ALA H H 1 7.830 0.05 . 1 . . . . . . . . 4683 1 221 . 1 1 24 24 ALA CA C 13 54.371 0.10 . 1 . . . . . . . . 4683 1 222 . 1 1 24 24 ALA HA H 1 4.080 0.05 . 1 . . . . . . . . 4683 1 223 . 1 1 24 24 ALA CB C 13 17.552 0.10 . 1 . . . . . . . . 4683 1 224 . 1 1 24 24 ALA HB1 H 1 1.345 0.05 . 1 . . . . . . . . 4683 1 225 . 1 1 24 24 ALA HB2 H 1 1.345 0.05 . 1 . . . . . . . . 4683 1 226 . 1 1 24 24 ALA HB3 H 1 1.345 0.05 . 1 . . . . . . . . 4683 1 227 . 1 1 24 24 ALA C C 13 179.430 0.10 . 1 . . . . . . . . 4683 1 228 . 1 1 25 25 VAL N N 15 121.372 0.10 . 1 . . . . . . . . 4683 1 229 . 1 1 25 25 VAL H H 1 8.592 0.05 . 1 . . . . . . . . 4683 1 230 . 1 1 25 25 VAL CA C 13 66.340 0.10 . 1 . . . . . . . . 4683 1 231 . 1 1 25 25 VAL HA H 1 3.716 0.05 . 1 . . . . . . . . 4683 1 232 . 1 1 25 25 VAL CB C 13 31.577 0.10 . 1 . . . . . . . . 4683 1 233 . 1 1 25 25 VAL HB H 1 2.146 0.05 . 1 . . . . . . . . 4683 1 234 . 1 1 25 25 VAL CG2 C 13 23.342 0.10 . 1 . . . . . . . . 4683 1 235 . 1 1 25 25 VAL HG21 H 1 1.000 0.05 . 2 . . . . . . . . 4683 1 236 . 1 1 25 25 VAL HG22 H 1 1.000 0.05 . 2 . . . . . . . . 4683 1 237 . 1 1 25 25 VAL HG23 H 1 1.000 0.05 . 2 . . . . . . . . 4683 1 238 . 1 1 25 25 VAL CG1 C 13 20.373 0.10 . 1 . . . . . . . . 4683 1 239 . 1 1 25 25 VAL HG11 H 1 0.572 0.05 . 1 . . . . . . . . 4683 1 240 . 1 1 25 25 VAL HG12 H 1 0.572 0.05 . 1 . . . . . . . . 4683 1 241 . 1 1 25 25 VAL HG13 H 1 0.572 0.05 . 1 . . . . . . . . 4683 1 242 . 1 1 25 25 VAL C C 13 179.337 0.10 . 1 . . . . . . . . 4683 1 243 . 1 1 26 26 ARG N N 15 119.190 0.10 . 1 . . . . . . . . 4683 1 244 . 1 1 26 26 ARG H H 1 8.028 0.05 . 1 . . . . . . . . 4683 1 245 . 1 1 26 26 ARG CA C 13 60.181 0.10 . 1 . . . . . . . . 4683 1 246 . 1 1 26 26 ARG HA H 1 3.867 0.05 . 1 . . . . . . . . 4683 1 247 . 1 1 26 26 ARG CB C 13 29.934 0.10 . 1 . . . . . . . . 4683 1 248 . 1 1 26 26 ARG HB2 H 1 1.857 0.05 . 1 . . . . . . . . 4683 1 249 . 1 1 26 26 ARG HB3 H 1 1.857 0.05 . 1 . . . . . . . . 4683 1 250 . 1 1 26 26 ARG CG C 13 29.804 0.10 . 1 . . . . . . . . 4683 1 251 . 1 1 26 26 ARG HG2 H 1 1.551 0.05 . 1 . . . . . . . . 4683 1 252 . 1 1 26 26 ARG HG3 H 1 1.734 0.05 . 1 . . . . . . . . 4683 1 253 . 1 1 26 26 ARG CD C 13 42.894 0.10 . 1 . . . . . . . . 4683 1 254 . 1 1 26 26 ARG HD2 H 1 3.099 0.05 . 1 . . . . . . . . 4683 1 255 . 1 1 26 26 ARG HD3 H 1 3.215 0.05 . 1 . . . . . . . . 4683 1 256 . 1 1 26 26 ARG C C 13 177.787 0.10 . 1 . . . . . . . . 4683 1 257 . 1 1 27 27 SER N N 15 112.323 0.10 . 1 . . . . . . . . 4683 1 258 . 1 1 27 27 SER H H 1 8.059 0.05 . 1 . . . . . . . . 4683 1 259 . 1 1 27 27 SER CA C 13 58.420 0.10 . 1 . . . . . . . . 4683 1 260 . 1 1 27 27 SER HA H 1 4.467 0.05 . 1 . . . . . . . . 4683 1 261 . 1 1 27 27 SER CB C 13 63.840 0.10 . 1 . . . . . . . . 4683 1 262 . 1 1 27 27 SER HB2 H 1 4.082 0.05 . 1 . . . . . . . . 4683 1 263 . 1 1 27 27 SER HB3 H 1 4.082 0.05 . 1 . . . . . . . . 4683 1 264 . 1 1 27 27 SER C C 13 172.886 0.10 . 1 . . . . . . . . 4683 1 265 . 1 1 28 28 ALA N N 15 124.102 0.10 . 1 . . . . . . . . 4683 1 266 . 1 1 28 28 ALA H H 1 8.087 0.05 . 1 . . . . . . . . 4683 1 267 . 1 1 28 28 ALA CA C 13 53.268 0.10 . 1 . . . . . . . . 4683 1 268 . 1 1 28 28 ALA HA H 1 4.146 0.05 . 1 . . . . . . . . 4683 1 269 . 1 1 28 28 ALA CB C 13 16.813 0.10 . 1 . . . . . . . . 4683 1 270 . 1 1 28 28 ALA HB1 H 1 1.537 0.05 . 1 . . . . . . . . 4683 1 271 . 1 1 28 28 ALA HB2 H 1 1.537 0.05 . 1 . . . . . . . . 4683 1 272 . 1 1 28 28 ALA HB3 H 1 1.537 0.05 . 1 . . . . . . . . 4683 1 273 . 1 1 28 28 ALA C C 13 176.307 0.10 . 1 . . . . . . . . 4683 1 274 . 1 1 29 29 THR N N 15 108.021 0.10 . 1 . . . . . . . . 4683 1 275 . 1 1 29 29 THR H H 1 8.603 0.05 . 1 . . . . . . . . 4683 1 276 . 1 1 29 29 THR CA C 13 60.483 0.10 . 1 . . . . . . . . 4683 1 277 . 1 1 29 29 THR HA H 1 4.516 0.05 . 1 . . . . . . . . 4683 1 278 . 1 1 29 29 THR CB C 13 69.508 0.10 . 1 . . . . . . . . 4683 1 279 . 1 1 29 29 THR HB H 1 4.332 0.05 . 1 . . . . . . . . 4683 1 280 . 1 1 29 29 THR CG2 C 13 21.428 0.10 . 1 . . . . . . . . 4683 1 281 . 1 1 29 29 THR HG21 H 1 1.062 0.05 . 1 . . . . . . . . 4683 1 282 . 1 1 29 29 THR HG22 H 1 1.062 0.05 . 1 . . . . . . . . 4683 1 283 . 1 1 29 29 THR HG23 H 1 1.062 0.05 . 1 . . . . . . . . 4683 1 284 . 1 1 29 29 THR C C 13 173.720 0.10 . 1 . . . . . . . . 4683 1 285 . 1 1 30 30 CYS N N 15 124.334 0.10 . 1 . . . . . . . . 4683 1 286 . 1 1 30 30 CYS H H 1 7.442 0.05 . 1 . . . . . . . . 4683 1 287 . 1 1 30 30 CYS CA C 13 58.404 0.10 . 1 . . . . . . . . 4683 1 288 . 1 1 30 30 CYS HA H 1 4.207 0.05 . 1 . . . . . . . . 4683 1 289 . 1 1 30 30 CYS CB C 13 27.328 0.10 . 1 . . . . . . . . 4683 1 290 . 1 1 30 30 CYS HB2 H 1 2.195 0.05 . 1 . . . . . . . . 4683 1 291 . 1 1 30 30 CYS HB3 H 1 3.098 0.05 . 1 . . . . . . . . 4683 1 292 . 1 1 30 30 CYS C C 13 173.090 0.10 . 1 . . . . . . . . 4683 1 293 . 1 1 31 31 SER N N 15 124.586 0.10 . 1 . . . . . . . . 4683 1 294 . 1 1 31 31 SER H H 1 7.996 0.05 . 1 . . . . . . . . 4683 1 295 . 1 1 31 31 SER CA C 13 56.611 0.10 . 1 . . . . . . . . 4683 1 296 . 1 1 31 31 SER HA H 1 5.387 0.05 . 1 . . . . . . . . 4683 1 297 . 1 1 31 31 SER CB C 13 65.567 0.10 . 1 . . . . . . . . 4683 1 298 . 1 1 31 31 SER HB2 H 1 3.010 0.05 . 1 . . . . . . . . 4683 1 299 . 1 1 31 31 SER HB3 H 1 3.382 0.05 . 1 . . . . . . . . 4683 1 300 . 1 1 31 31 SER C C 13 172.130 0.10 . 1 . . . . . . . . 4683 1 301 . 1 1 32 32 PHE N N 15 116.422 0.10 . 1 . . . . . . . . 4683 1 302 . 1 1 32 32 PHE H H 1 8.578 0.05 . 1 . . . . . . . . 4683 1 303 . 1 1 32 32 PHE CA C 13 55.719 0.10 . 1 . . . . . . . . 4683 1 304 . 1 1 32 32 PHE HA H 1 5.002 0.05 . 1 . . . . . . . . 4683 1 305 . 1 1 32 32 PHE CB C 13 43.796 0.10 . 1 . . . . . . . . 4683 1 306 . 1 1 32 32 PHE HB2 H 1 2.298 0.05 . 1 . . . . . . . . 4683 1 307 . 1 1 32 32 PHE HB3 H 1 2.895 0.05 . 1 . . . . . . . . 4683 1 308 . 1 1 32 32 PHE HD1 H 1 6.937 0.05 . 1 . . . . . . . . 4683 1 309 . 1 1 32 32 PHE HE1 H 1 6.818 0.05 . 1 . . . . . . . . 4683 1 310 . 1 1 32 32 PHE HE2 H 1 6.818 0.05 . 1 . . . . . . . . 4683 1 311 . 1 1 32 32 PHE HD2 H 1 6.937 0.05 . 1 . . . . . . . . 4683 1 312 . 1 1 32 32 PHE C C 13 175.375 0.10 . 1 . . . . . . . . 4683 1 313 . 1 1 33 33 SER N N 15 119.770 0.10 . 1 . . . . . . . . 4683 1 314 . 1 1 33 33 SER H H 1 9.368 0.05 . 1 . . . . . . . . 4683 1 315 . 1 1 33 33 SER CA C 13 59.101 0.10 . 1 . . . . . . . . 4683 1 316 . 1 1 33 33 SER HA H 1 4.936 0.05 . 1 . . . . . . . . 4683 1 317 . 1 1 33 33 SER CB C 13 62.940 0.10 . 1 . . . . . . . . 4683 1 318 . 1 1 33 33 SER HB2 H 1 3.968 0.05 . 1 . . . . . . . . 4683 1 319 . 1 1 33 33 SER HB3 H 1 3.968 0.05 . 1 . . . . . . . . 4683 1 320 . 1 1 33 33 SER C C 13 175.773 0.10 . 1 . . . . . . . . 4683 1 321 . 1 1 34 34 VAL N N 15 120.786 0.10 . 1 . . . . . . . . 4683 1 322 . 1 1 34 34 VAL H H 1 9.180 0.05 . 1 . . . . . . . . 4683 1 323 . 1 1 34 34 VAL CA C 13 60.147 0.10 . 1 . . . . . . . . 4683 1 324 . 1 1 34 34 VAL HA H 1 5.417 0.05 . 1 . . . . . . . . 4683 1 325 . 1 1 34 34 VAL CB C 13 37.932 0.10 . 1 . . . . . . . . 4683 1 326 . 1 1 34 34 VAL HB H 1 2.372 0.05 . 1 . . . . . . . . 4683 1 327 . 1 1 34 34 VAL CG2 C 13 17.795 0.10 . 1 . . . . . . . . 4683 1 328 . 1 1 34 34 VAL HG21 H 1 0.920 0.05 . 1 . . . . . . . . 4683 1 329 . 1 1 34 34 VAL HG22 H 1 0.920 0.05 . 1 . . . . . . . . 4683 1 330 . 1 1 34 34 VAL HG23 H 1 0.920 0.05 . 1 . . . . . . . . 4683 1 331 . 1 1 34 34 VAL CG1 C 13 22.100 0.10 . 1 . . . . . . . . 4683 1 332 . 1 1 34 34 VAL HG11 H 1 0.906 0.05 . 1 . . . . . . . . 4683 1 333 . 1 1 34 34 VAL HG12 H 1 0.906 0.05 . 1 . . . . . . . . 4683 1 334 . 1 1 34 34 VAL HG13 H 1 0.906 0.05 . 1 . . . . . . . . 4683 1 335 . 1 1 34 34 VAL C C 13 174.544 0.10 . 1 . . . . . . . . 4683 1 336 . 1 1 35 35 LYS N N 15 119.185 0.10 . 1 . . . . . . . . 4683 1 337 . 1 1 35 35 LYS H H 1 9.137 0.05 . 1 . . . . . . . . 4683 1 338 . 1 1 35 35 LYS CA C 13 55.341 0.10 . 1 . . . . . . . . 4683 1 339 . 1 1 35 35 LYS HA H 1 4.972 0.05 . 1 . . . . . . . . 4683 1 340 . 1 1 35 35 LYS CB C 13 33.429 0.10 . 1 . . . . . . . . 4683 1 341 . 1 1 35 35 LYS HB2 H 1 1.423 0.05 . 1 . . . . . . . . 4683 1 342 . 1 1 35 35 LYS HB3 H 1 1.855 0.05 . 1 . . . . . . . . 4683 1 343 . 1 1 35 35 LYS CG C 13 26.053 0.10 . 1 . . . . . . . . 4683 1 344 . 1 1 35 35 LYS HG2 H 1 1.203 0.05 . 1 . . . . . . . . 4683 1 345 . 1 1 35 35 LYS HG3 H 1 1.203 0.05 . 1 . . . . . . . . 4683 1 346 . 1 1 35 35 LYS CD C 13 29.840 0.10 . 1 . . . . . . . . 4683 1 347 . 1 1 35 35 LYS HD2 H 1 1.623 0.05 . 1 . . . . . . . . 4683 1 348 . 1 1 35 35 LYS HD3 H 1 1.623 0.05 . 1 . . . . . . . . 4683 1 349 . 1 1 35 35 LYS CE C 13 41.967 0.10 . 1 . . . . . . . . 4683 1 350 . 1 1 35 35 LYS HE2 H 1 2.935 0.05 . 1 . . . . . . . . 4683 1 351 . 1 1 35 35 LYS HE3 H 1 2.935 0.05 . 1 . . . . . . . . 4683 1 352 . 1 1 35 35 LYS C C 13 175.619 0.10 . 1 . . . . . . . . 4683 1 353 . 1 1 36 36 TYR N N 15 125.005 0.10 . 1 . . . . . . . . 4683 1 354 . 1 1 36 36 TYR H H 1 9.688 0.05 . 1 . . . . . . . . 4683 1 355 . 1 1 36 36 TYR CA C 13 56.155 0.10 . 1 . . . . . . . . 4683 1 356 . 1 1 36 36 TYR HA H 1 4.743 0.05 . 1 . . . . . . . . 4683 1 357 . 1 1 36 36 TYR CB C 13 38.620 0.10 . 1 . . . . . . . . 4683 1 358 . 1 1 36 36 TYR HB2 H 1 2.764 0.05 . 1 . . . . . . . . 4683 1 359 . 1 1 36 36 TYR HB3 H 1 2.891 0.05 . 1 . . . . . . . . 4683 1 360 . 1 1 36 36 TYR HD1 H 1 7.149 0.05 . 1 . . . . . . . . 4683 1 361 . 1 1 36 36 TYR HE1 H 1 6.840 0.05 . 1 . . . . . . . . 4683 1 362 . 1 1 36 36 TYR HE2 H 1 6.610 0.05 . 1 . . . . . . . . 4683 1 363 . 1 1 36 36 TYR HD2 H 1 6.456 0.05 . 1 . . . . . . . . 4683 1 364 . 1 1 36 36 TYR C C 13 175.410 0.10 . 1 . . . . . . . . 4683 1 365 . 1 1 37 37 LEU N N 15 127.543 0.10 . 1 . . . . . . . . 4683 1 366 . 1 1 37 37 LEU H H 1 8.370 0.05 . 1 . . . . . . . . 4683 1 367 . 1 1 37 37 LEU CA C 13 54.499 0.10 . 1 . . . . . . . . 4683 1 368 . 1 1 37 37 LEU HA H 1 3.984 0.05 . 1 . . . . . . . . 4683 1 369 . 1 1 37 37 LEU CB C 13 42.747 0.10 . 1 . . . . . . . . 4683 1 370 . 1 1 37 37 LEU CG C 13 27.338 0.10 . 1 . . . . . . . . 4683 1 371 . 1 1 37 37 LEU HG H 1 1.240 0.05 . 1 . . . . . . . . 4683 1 372 . 1 1 37 37 LEU CD1 C 13 25.600 0.10 . 1 . . . . . . . . 4683 1 373 . 1 1 37 37 LEU HD11 H 1 0.552 0.05 . 1 . . . . . . . . 4683 1 374 . 1 1 37 37 LEU HD12 H 1 0.552 0.05 . 1 . . . . . . . . 4683 1 375 . 1 1 37 37 LEU HD13 H 1 0.552 0.05 . 1 . . . . . . . . 4683 1 376 . 1 1 37 37 LEU CD2 C 13 21.393 0.10 . 1 . . . . . . . . 4683 1 377 . 1 1 37 37 LEU HD21 H 1 0.608 0.05 . 1 . . . . . . . . 4683 1 378 . 1 1 37 37 LEU HD22 H 1 0.608 0.05 . 1 . . . . . . . . 4683 1 379 . 1 1 37 37 LEU HD23 H 1 0.608 0.05 . 1 . . . . . . . . 4683 1 380 . 1 1 37 37 LEU C C 13 175.273 0.10 . 1 . . . . . . . . 4683 1 381 . 1 1 38 38 GLY N N 15 130.084 0.10 . 1 . . . . . . . . 4683 1 382 . 1 1 38 38 GLY H H 1 5.147 0.05 . 1 . . . . . . . . 4683 1 383 . 1 1 38 38 GLY CA C 13 43.222 0.10 . 1 . . . . . . . . 4683 1 384 . 1 1 38 38 GLY HA2 H 1 2.849 0.05 . 1 . . . . . . . . 4683 1 385 . 1 1 38 38 GLY HA3 H 1 4.111 0.05 . 1 . . . . . . . . 4683 1 386 . 1 1 38 38 GLY C C 13 170.117 0.10 . 1 . . . . . . . . 4683 1 387 . 1 1 39 39 CYS N N 15 111.200 0.10 . 1 . . . . . . . . 4683 1 388 . 1 1 39 39 CYS H H 1 7.935 0.05 . 1 . . . . . . . . 4683 1 389 . 1 1 39 39 CYS CA C 13 53.370 0.10 . 1 . . . . . . . . 4683 1 390 . 1 1 39 39 CYS HA H 1 5.778 0.05 . 1 . . . . . . . . 4683 1 391 . 1 1 39 39 CYS CB C 13 30.406 0.10 . 1 . . . . . . . . 4683 1 392 . 1 1 39 39 CYS HB2 H 1 1.593 0.05 . 1 . . . . . . . . 4683 1 393 . 1 1 39 39 CYS HB3 H 1 1.593 0.05 . 1 . . . . . . . . 4683 1 394 . 1 1 39 39 CYS C C 13 173.219 0.10 . 1 . . . . . . . . 4683 1 395 . 1 1 40 40 VAL N N 15 117.471 0.10 . 1 . . . . . . . . 4683 1 396 . 1 1 40 40 VAL H H 1 8.300 0.05 . 1 . . . . . . . . 4683 1 397 . 1 1 40 40 VAL CA C 13 59.047 0.10 . 1 . . . . . . . . 4683 1 398 . 1 1 40 40 VAL HA H 1 4.414 0.05 . 1 . . . . . . . . 4683 1 399 . 1 1 40 40 VAL CB C 13 35.735 0.10 . 1 . . . . . . . . 4683 1 400 . 1 1 40 40 VAL HB H 1 1.948 0.05 . 1 . . . . . . . . 4683 1 401 . 1 1 40 40 VAL CG2 C 13 20.298 0.10 . 1 . . . . . . . . 4683 1 402 . 1 1 40 40 VAL HG21 H 1 0.938 0.05 . 1 . . . . . . . . 4683 1 403 . 1 1 40 40 VAL HG22 H 1 0.938 0.05 . 1 . . . . . . . . 4683 1 404 . 1 1 40 40 VAL HG23 H 1 0.938 0.05 . 1 . . . . . . . . 4683 1 405 . 1 1 40 40 VAL CG1 C 13 20.475 0.10 . 1 . . . . . . . . 4683 1 406 . 1 1 40 40 VAL HG11 H 1 0.787 0.05 . 1 . . . . . . . . 4683 1 407 . 1 1 40 40 VAL HG12 H 1 0.787 0.05 . 1 . . . . . . . . 4683 1 408 . 1 1 40 40 VAL HG13 H 1 0.787 0.05 . 1 . . . . . . . . 4683 1 409 . 1 1 40 40 VAL C C 13 172.553 0.10 . 1 . . . . . . . . 4683 1 410 . 1 1 41 41 GLU N N 15 128.139 0.10 . 1 . . . . . . . . 4683 1 411 . 1 1 41 41 GLU H H 1 8.455 0.05 . 1 . . . . . . . . 4683 1 412 . 1 1 41 41 GLU CA C 13 57.002 0.10 . 1 . . . . . . . . 4683 1 413 . 1 1 41 41 GLU HA H 1 5.016 0.05 . 1 . . . . . . . . 4683 1 414 . 1 1 41 41 GLU CB C 13 29.374 0.10 . 1 . . . . . . . . 4683 1 415 . 1 1 41 41 GLU HB2 H 1 1.738 0.05 . 1 . . . . . . . . 4683 1 416 . 1 1 41 41 GLU HB3 H 1 1.738 0.05 . 1 . . . . . . . . 4683 1 417 . 1 1 41 41 GLU CG C 13 35.855 0.10 . 1 . . . . . . . . 4683 1 418 . 1 1 41 41 GLU HG2 H 1 2.566 0.05 . 1 . . . . . . . . 4683 1 419 . 1 1 41 41 GLU HG3 H 1 2.566 0.05 . 1 . . . . . . . . 4683 1 420 . 1 1 41 41 GLU C C 13 176.122 0.10 . 1 . . . . . . . . 4683 1 421 . 1 1 42 42 VAL N N 15 118.188 0.10 . 1 . . . . . . . . 4683 1 422 . 1 1 42 42 VAL H H 1 8.239 0.05 . 1 . . . . . . . . 4683 1 423 . 1 1 42 42 VAL CA C 13 58.702 0.10 . 1 . . . . . . . . 4683 1 424 . 1 1 42 42 VAL HA H 1 4.379 0.05 . 1 . . . . . . . . 4683 1 425 . 1 1 42 42 VAL CB C 13 35.249 0.10 . 1 . . . . . . . . 4683 1 426 . 1 1 42 42 VAL CG2 C 13 23.624 0.10 . 1 . . . . . . . . 4683 1 427 . 1 1 42 42 VAL HG21 H 1 0.786 0.05 . 1 . . . . . . . . 4683 1 428 . 1 1 42 42 VAL HG22 H 1 0.786 0.05 . 1 . . . . . . . . 4683 1 429 . 1 1 42 42 VAL HG23 H 1 0.786 0.05 . 1 . . . . . . . . 4683 1 430 . 1 1 42 42 VAL CG1 C 13 18.830 0.10 . 1 . . . . . . . . 4683 1 431 . 1 1 42 42 VAL HG11 H 1 0.786 0.05 . 1 . . . . . . . . 4683 1 432 . 1 1 42 42 VAL HG12 H 1 0.786 0.05 . 1 . . . . . . . . 4683 1 433 . 1 1 42 42 VAL HG13 H 1 0.786 0.05 . 1 . . . . . . . . 4683 1 434 . 1 1 42 42 VAL C C 13 174.790 0.10 . 1 . . . . . . . . 4683 1 435 . 1 1 43 43 PHE N N 15 115.843 0.10 . 1 . . . . . . . . 4683 1 436 . 1 1 43 43 PHE H H 1 8.673 0.05 . 1 . . . . . . . . 4683 1 437 . 1 1 43 43 PHE CA C 13 57.971 0.10 . 1 . . . . . . . . 4683 1 438 . 1 1 43 43 PHE HA H 1 4.888 0.05 . 1 . . . . . . . . 4683 1 439 . 1 1 43 43 PHE CB C 13 39.519 0.10 . 1 . . . . . . . . 4683 1 440 . 1 1 43 43 PHE HB2 H 1 2.729 0.05 . 1 . . . . . . . . 4683 1 441 . 1 1 43 43 PHE HB3 H 1 3.576 0.05 . 1 . . . . . . . . 4683 1 442 . 1 1 43 43 PHE HD1 H 1 7.315 0.05 . 1 . . . . . . . . 4683 1 443 . 1 1 43 43 PHE HE1 H 1 7.314 0.05 . 1 . . . . . . . . 4683 1 444 . 1 1 43 43 PHE HE2 H 1 7.314 0.05 . 1 . . . . . . . . 4683 1 445 . 1 1 43 43 PHE HD2 H 1 7.315 0.05 . 1 . . . . . . . . 4683 1 446 . 1 1 43 43 PHE C C 13 174.770 0.10 . 1 . . . . . . . . 4683 1 447 . 1 1 44 44 GLU N N 15 117.845 0.10 . 1 . . . . . . . . 4683 1 448 . 1 1 44 44 GLU H H 1 7.154 0.05 . 1 . . . . . . . . 4683 1 449 . 1 1 44 44 GLU CA C 13 54.052 0.10 . 1 . . . . . . . . 4683 1 450 . 1 1 44 44 GLU HA H 1 4.248 0.05 . 1 . . . . . . . . 4683 1 451 . 1 1 44 44 GLU CB C 13 34.293 0.10 . 1 . . . . . . . . 4683 1 452 . 1 1 44 44 GLU HB2 H 1 1.600 0.05 . 1 . . . . . . . . 4683 1 453 . 1 1 44 44 GLU HB3 H 1 1.992 0.05 . 1 . . . . . . . . 4683 1 454 . 1 1 44 44 GLU CG C 13 36.179 0.10 . 1 . . . . . . . . 4683 1 455 . 1 1 44 44 GLU HG2 H 1 2.180 0.05 . 1 . . . . . . . . 4683 1 456 . 1 1 44 44 GLU HG3 H 1 2.180 0.05 . 1 . . . . . . . . 4683 1 457 . 1 1 44 44 GLU C C 13 173.016 0.10 . 1 . . . . . . . . 4683 1 458 . 1 1 45 45 SER N N 15 109.933 0.10 . 1 . . . . . . . . 4683 1 459 . 1 1 45 45 SER H H 1 7.566 0.05 . 1 . . . . . . . . 4683 1 460 . 1 1 45 45 SER CA C 13 57.765 0.10 . 1 . . . . . . . . 4683 1 461 . 1 1 45 45 SER HA H 1 2.804 0.05 . 1 . . . . . . . . 4683 1 462 . 1 1 45 45 SER CB C 13 63.447 0.10 . 1 . . . . . . . . 4683 1 463 . 1 1 45 45 SER HB2 H 1 1.530 0.05 . 1 . . . . . . . . 4683 1 464 . 1 1 45 45 SER HB3 H 1 2.574 0.05 . 1 . . . . . . . . 4683 1 465 . 1 1 45 45 SER C C 13 173.292 0.10 . 1 . . . . . . . . 4683 1 466 . 1 1 46 46 ARG N N 15 114.304 0.10 . 1 . . . . . . . . 4683 1 467 . 1 1 46 46 ARG H H 1 6.786 0.05 . 1 . . . . . . . . 4683 1 468 . 1 1 46 46 ARG CA C 13 53.854 0.10 . 1 . . . . . . . . 4683 1 469 . 1 1 46 46 ARG HA H 1 3.494 0.05 . 1 . . . . . . . . 4683 1 470 . 1 1 46 46 ARG CB C 13 32.337 0.10 . 1 . . . . . . . . 4683 1 471 . 1 1 46 46 ARG HB2 H 1 1.444 0.05 . 1 . . . . . . . . 4683 1 472 . 1 1 46 46 ARG HB3 H 1 0.937 0.05 . 1 . . . . . . . . 4683 1 473 . 1 1 46 46 ARG CG C 13 25.050 0.10 . 1 . . . . . . . . 4683 1 474 . 1 1 46 46 ARG HG2 H 1 1.193 0.05 . 1 . . . . . . . . 4683 1 475 . 1 1 46 46 ARG HG3 H 1 1.058 0.05 . 1 . . . . . . . . 4683 1 476 . 1 1 46 46 ARG CD C 13 43.192 0.10 . 1 . . . . . . . . 4683 1 477 . 1 1 46 46 ARG HD2 H 1 2.949 0.05 . 1 . . . . . . . . 4683 1 478 . 1 1 46 46 ARG HD3 H 1 2.949 0.05 . 1 . . . . . . . . 4683 1 479 . 1 1 46 46 ARG C C 13 172.966 0.10 . 1 . . . . . . . . 4683 1 480 . 1 1 47 47 GLY N N 15 103.987 0.10 . 1 . . . . . . . . 4683 1 481 . 1 1 47 47 GLY H H 1 3.198 0.05 . 1 . . . . . . . . 4683 1 482 . 1 1 47 47 GLY CA C 13 44.330 0.10 . 1 . . . . . . . . 4683 1 483 . 1 1 47 47 GLY HA2 H 1 3.200 0.05 . 1 . . . . . . . . 4683 1 484 . 1 1 47 47 GLY HA3 H 1 4.253 0.05 . 1 . . . . . . . . 4683 1 485 . 1 1 47 47 GLY C C 13 173.446 0.10 . 1 . . . . . . . . 4683 1 486 . 1 1 48 48 MET N N 15 128.249 0.10 . 1 . . . . . . . . 4683 1 487 . 1 1 48 48 MET H H 1 9.038 0.05 . 1 . . . . . . . . 4683 1 488 . 1 1 48 48 MET CA C 13 59.560 0.10 . 1 . . . . . . . . 4683 1 489 . 1 1 48 48 MET HA H 1 4.031 0.05 . 1 . . . . . . . . 4683 1 490 . 1 1 48 48 MET CB C 13 32.366 0.10 . 1 . . . . . . . . 4683 1 491 . 1 1 48 48 MET HB2 H 1 2.128 0.05 . 1 . . . . . . . . 4683 1 492 . 1 1 48 48 MET HB3 H 1 2.128 0.05 . 1 . . . . . . . . 4683 1 493 . 1 1 48 48 MET CG C 13 32.386 0.10 . 1 . . . . . . . . 4683 1 494 . 1 1 48 48 MET HG2 H 1 2.736 0.05 . 1 . . . . . . . . 4683 1 495 . 1 1 48 48 MET HG3 H 1 2.736 0.05 . 1 . . . . . . . . 4683 1 496 . 1 1 48 48 MET CE C 13 16.946 0.10 . 1 . . . . . . . . 4683 1 497 . 1 1 48 48 MET HE1 H 1 2.117 0.05 . 1 . . . . . . . . 4683 1 498 . 1 1 48 48 MET HE2 H 1 2.117 0.05 . 1 . . . . . . . . 4683 1 499 . 1 1 48 48 MET HE3 H 1 2.117 0.05 . 1 . . . . . . . . 4683 1 500 . 1 1 48 48 MET C C 13 177.501 0.10 . 1 . . . . . . . . 4683 1 501 . 1 1 49 49 GLN N N 15 118.443 0.10 . 1 . . . . . . . . 4683 1 502 . 1 1 49 49 GLN H H 1 8.806 0.05 . 1 . . . . . . . . 4683 1 503 . 1 1 49 49 GLN CA C 13 58.915 0.10 . 1 . . . . . . . . 4683 1 504 . 1 1 49 49 GLN HA H 1 4.151 0.05 . 1 . . . . . . . . 4683 1 505 . 1 1 49 49 GLN CB C 13 27.550 0.10 . 1 . . . . . . . . 4683 1 506 . 1 1 49 49 GLN HB2 H 1 2.059 0.05 . 1 . . . . . . . . 4683 1 507 . 1 1 49 49 GLN HB3 H 1 2.059 0.05 . 1 . . . . . . . . 4683 1 508 . 1 1 49 49 GLN CG C 13 33.926 0.10 . 1 . . . . . . . . 4683 1 509 . 1 1 49 49 GLN HG2 H 1 2.420 0.05 . 1 . . . . . . . . 4683 1 510 . 1 1 49 49 GLN HG3 H 1 2.420 0.05 . 1 . . . . . . . . 4683 1 511 . 1 1 49 49 GLN NE2 N 15 112.064 0.10 . 1 . . . . . . . . 4683 1 512 . 1 1 49 49 GLN HE21 H 1 7.633 0.05 . 1 . . . . . . . . 4683 1 513 . 1 1 49 49 GLN HE22 H 1 6.827 0.05 . 1 . . . . . . . . 4683 1 514 . 1 1 49 49 GLN C C 13 177.584 0.10 . 1 . . . . . . . . 4683 1 515 . 1 1 50 50 VAL N N 15 120.146 0.10 . 1 . . . . . . . . 4683 1 516 . 1 1 50 50 VAL H H 1 6.885 0.05 . 1 . . . . . . . . 4683 1 517 . 1 1 50 50 VAL CA C 13 65.368 0.10 . 1 . . . . . . . . 4683 1 518 . 1 1 50 50 VAL HA H 1 3.594 0.05 . 1 . . . . . . . . 4683 1 519 . 1 1 50 50 VAL CB C 13 31.261 0.10 . 1 . . . . . . . . 4683 1 520 . 1 1 50 50 VAL HB H 1 1.897 0.05 . 1 . . . . . . . . 4683 1 521 . 1 1 50 50 VAL CG2 C 13 22.239 0.10 . 1 . . . . . . . . 4683 1 522 . 1 1 50 50 VAL HG21 H 1 0.832 0.05 . 1 . . . . . . . . 4683 1 523 . 1 1 50 50 VAL HG22 H 1 0.832 0.05 . 1 . . . . . . . . 4683 1 524 . 1 1 50 50 VAL HG23 H 1 0.832 0.05 . 1 . . . . . . . . 4683 1 525 . 1 1 50 50 VAL CG1 C 13 21.056 0.10 . 1 . . . . . . . . 4683 1 526 . 1 1 50 50 VAL HG11 H 1 0.835 0.05 . 1 . . . . . . . . 4683 1 527 . 1 1 50 50 VAL HG12 H 1 0.835 0.05 . 1 . . . . . . . . 4683 1 528 . 1 1 50 50 VAL HG13 H 1 0.835 0.05 . 1 . . . . . . . . 4683 1 529 . 1 1 50 50 VAL C C 13 178.918 0.10 . 1 . . . . . . . . 4683 1 530 . 1 1 51 51 CYS N N 15 118.644 0.10 . 1 . . . . . . . . 4683 1 531 . 1 1 51 51 CYS H H 1 7.059 0.05 . 1 . . . . . . . . 4683 1 532 . 1 1 51 51 CYS CA C 13 63.438 0.10 . 1 . . . . . . . . 4683 1 533 . 1 1 51 51 CYS HA H 1 4.167 0.05 . 1 . . . . . . . . 4683 1 534 . 1 1 51 51 CYS CB C 13 26.985 0.10 . 1 . . . . . . . . 4683 1 535 . 1 1 51 51 CYS HB2 H 1 2.925 0.05 . 1 . . . . . . . . 4683 1 536 . 1 1 51 51 CYS HB3 H 1 3.151 0.05 . 1 . . . . . . . . 4683 1 537 . 1 1 51 51 CYS C C 13 176.083 0.10 . 1 . . . . . . . . 4683 1 538 . 1 1 52 52 GLU N N 15 119.781 0.10 . 1 . . . . . . . . 4683 1 539 . 1 1 52 52 GLU H H 1 8.474 0.05 . 1 . . . . . . . . 4683 1 540 . 1 1 52 52 GLU CA C 13 59.522 0.10 . 1 . . . . . . . . 4683 1 541 . 1 1 52 52 GLU HA H 1 3.881 0.05 . 1 . . . . . . . . 4683 1 542 . 1 1 52 52 GLU CB C 13 29.730 0.10 . 1 . . . . . . . . 4683 1 543 . 1 1 52 52 GLU HB2 H 1 1.934 0.05 . 1 . . . . . . . . 4683 1 544 . 1 1 52 52 GLU HB3 H 1 2.191 0.05 . 1 . . . . . . . . 4683 1 545 . 1 1 52 52 GLU CG C 13 36.830 0.10 . 1 . . . . . . . . 4683 1 546 . 1 1 52 52 GLU HG2 H 1 2.518 0.05 . 1 . . . . . . . . 4683 1 547 . 1 1 52 52 GLU HG3 H 1 2.518 0.05 . 1 . . . . . . . . 4683 1 548 . 1 1 52 52 GLU C C 13 180.221 0.10 . 1 . . . . . . . . 4683 1 549 . 1 1 53 53 GLU N N 15 119.324 0.10 . 1 . . . . . . . . 4683 1 550 . 1 1 53 53 GLU H H 1 8.116 0.05 . 1 . . . . . . . . 4683 1 551 . 1 1 53 53 GLU CA C 13 58.748 0.10 . 1 . . . . . . . . 4683 1 552 . 1 1 53 53 GLU HA H 1 4.019 0.05 . 1 . . . . . . . . 4683 1 553 . 1 1 53 53 GLU CB C 13 28.828 0.10 . 1 . . . . . . . . 4683 1 554 . 1 1 53 53 GLU HB2 H 1 2.084 0.05 . 1 . . . . . . . . 4683 1 555 . 1 1 53 53 GLU HB3 H 1 2.084 0.05 . 1 . . . . . . . . 4683 1 556 . 1 1 53 53 GLU CG C 13 36.004 0.10 . 1 . . . . . . . . 4683 1 557 . 1 1 53 53 GLU HG2 H 1 2.419 0.05 . 1 . . . . . . . . 4683 1 558 . 1 1 53 53 GLU HG3 H 1 2.419 0.05 . 1 . . . . . . . . 4683 1 559 . 1 1 53 53 GLU C C 13 178.576 0.10 . 1 . . . . . . . . 4683 1 560 . 1 1 54 54 ALA N N 15 123.189 0.10 . 1 . . . . . . . . 4683 1 561 . 1 1 54 54 ALA H H 1 7.595 0.05 . 1 . . . . . . . . 4683 1 562 . 1 1 54 54 ALA CA C 13 54.903 0.10 . 1 . . . . . . . . 4683 1 563 . 1 1 54 54 ALA HA H 1 4.027 0.05 . 1 . . . . . . . . 4683 1 564 . 1 1 54 54 ALA CB C 13 18.721 0.10 . 1 . . . . . . . . 4683 1 565 . 1 1 54 54 ALA HB1 H 1 1.311 0.05 . 1 . . . . . . . . 4683 1 566 . 1 1 54 54 ALA HB2 H 1 1.311 0.05 . 1 . . . . . . . . 4683 1 567 . 1 1 54 54 ALA HB3 H 1 1.311 0.05 . 1 . . . . . . . . 4683 1 568 . 1 1 54 54 ALA C C 13 179.394 0.10 . 1 . . . . . . . . 4683 1 569 . 1 1 55 55 LEU N N 15 118.769 0.10 . 1 . . . . . . . . 4683 1 570 . 1 1 55 55 LEU H H 1 8.522 0.05 . 1 . . . . . . . . 4683 1 571 . 1 1 55 55 LEU CA C 13 57.962 0.10 . 1 . . . . . . . . 4683 1 572 . 1 1 55 55 LEU HA H 1 3.793 0.05 . 1 . . . . . . . . 4683 1 573 . 1 1 55 55 LEU CB C 13 41.220 0.10 . 1 . . . . . . . . 4683 1 574 . 1 1 55 55 LEU HB2 H 1 1.729 0.05 . 1 . . . . . . . . 4683 1 575 . 1 1 55 55 LEU HB3 H 1 1.729 0.05 . 1 . . . . . . . . 4683 1 576 . 1 1 55 55 LEU CG C 13 27.795 0.10 . 1 . . . . . . . . 4683 1 577 . 1 1 55 55 LEU HG H 1 1.535 0.05 . 1 . . . . . . . . 4683 1 578 . 1 1 55 55 LEU CD1 C 13 25.104 0.10 . 1 . . . . . . . . 4683 1 579 . 1 1 55 55 LEU HD11 H 1 0.835 0.05 . 1 . . . . . . . . 4683 1 580 . 1 1 55 55 LEU HD12 H 1 0.835 0.05 . 1 . . . . . . . . 4683 1 581 . 1 1 55 55 LEU HD13 H 1 0.835 0.05 . 1 . . . . . . . . 4683 1 582 . 1 1 55 55 LEU CD2 C 13 24.529 0.10 . 1 . . . . . . . . 4683 1 583 . 1 1 55 55 LEU HD21 H 1 0.835 0.05 . 1 . . . . . . . . 4683 1 584 . 1 1 55 55 LEU HD22 H 1 0.835 0.05 . 1 . . . . . . . . 4683 1 585 . 1 1 55 55 LEU HD23 H 1 0.835 0.05 . 1 . . . . . . . . 4683 1 586 . 1 1 55 55 LEU C C 13 178.810 0.10 . 1 . . . . . . . . 4683 1 587 . 1 1 56 56 LYS N N 15 118.694 0.10 . 1 . . . . . . . . 4683 1 588 . 1 1 56 56 LYS H H 1 7.545 0.05 . 1 . . . . . . . . 4683 1 589 . 1 1 56 56 LYS CA C 13 60.159 0.10 . 1 . . . . . . . . 4683 1 590 . 1 1 56 56 LYS HA H 1 3.841 0.05 . 1 . . . . . . . . 4683 1 591 . 1 1 56 56 LYS CB C 13 32.127 0.10 . 1 . . . . . . . . 4683 1 592 . 1 1 56 56 LYS HB2 H 1 1.926 0.05 . 1 . . . . . . . . 4683 1 593 . 1 1 56 56 LYS HB3 H 1 1.926 0.05 . 1 . . . . . . . . 4683 1 594 . 1 1 56 56 LYS CG C 13 25.137 0.10 . 1 . . . . . . . . 4683 1 595 . 1 1 56 56 LYS HG2 H 1 1.308 0.05 . 1 . . . . . . . . 4683 1 596 . 1 1 56 56 LYS HG3 H 1 1.308 0.05 . 1 . . . . . . . . 4683 1 597 . 1 1 56 56 LYS CD C 13 29.685 0.10 . 1 . . . . . . . . 4683 1 598 . 1 1 56 56 LYS HD2 H 1 1.665 0.05 . 1 . . . . . . . . 4683 1 599 . 1 1 56 56 LYS HD3 H 1 1.665 0.05 . 1 . . . . . . . . 4683 1 600 . 1 1 56 56 LYS CE C 13 41.628 0.10 . 1 . . . . . . . . 4683 1 601 . 1 1 56 56 LYS HE2 H 1 2.837 0.05 . 1 . . . . . . . . 4683 1 602 . 1 1 56 56 LYS HE3 H 1 2.837 0.05 . 1 . . . . . . . . 4683 1 603 . 1 1 56 56 LYS C C 13 179.153 0.10 . 1 . . . . . . . . 4683 1 604 . 1 1 57 57 VAL N N 15 119.231 0.10 . 1 . . . . . . . . 4683 1 605 . 1 1 57 57 VAL H H 1 7.392 0.05 . 1 . . . . . . . . 4683 1 606 . 1 1 57 57 VAL CA C 13 65.930 0.10 . 1 . . . . . . . . 4683 1 607 . 1 1 57 57 VAL HA H 1 3.640 0.05 . 1 . . . . . . . . 4683 1 608 . 1 1 57 57 VAL CB C 13 31.485 0.10 . 1 . . . . . . . . 4683 1 609 . 1 1 57 57 VAL HB H 1 2.266 0.05 . 1 . . . . . . . . 4683 1 610 . 1 1 57 57 VAL CG2 C 13 22.328 0.10 . 1 . . . . . . . . 4683 1 611 . 1 1 57 57 VAL HG21 H 1 1.073 0.05 . 1 . . . . . . . . 4683 1 612 . 1 1 57 57 VAL HG22 H 1 1.073 0.05 . 1 . . . . . . . . 4683 1 613 . 1 1 57 57 VAL HG23 H 1 1.073 0.05 . 1 . . . . . . . . 4683 1 614 . 1 1 57 57 VAL CG1 C 13 21.085 0.10 . 1 . . . . . . . . 4683 1 615 . 1 1 57 57 VAL HG11 H 1 0.921 0.05 . 1 . . . . . . . . 4683 1 616 . 1 1 57 57 VAL HG12 H 1 0.921 0.05 . 1 . . . . . . . . 4683 1 617 . 1 1 57 57 VAL HG13 H 1 0.921 0.05 . 1 . . . . . . . . 4683 1 618 . 1 1 57 57 VAL C C 13 179.986 0.10 . 1 . . . . . . . . 4683 1 619 . 1 1 58 58 LEU N N 15 122.013 0.10 . 1 . . . . . . . . 4683 1 620 . 1 1 58 58 LEU H H 1 8.530 0.05 . 1 . . . . . . . . 4683 1 621 . 1 1 58 58 LEU CA C 13 57.672 0.10 . 1 . . . . . . . . 4683 1 622 . 1 1 58 58 LEU HA H 1 3.839 0.05 . 1 . . . . . . . . 4683 1 623 . 1 1 58 58 LEU CB C 13 42.046 0.10 . 1 . . . . . . . . 4683 1 624 . 1 1 58 58 LEU HB2 H 1 1.769 0.05 . 1 . . . . . . . . 4683 1 625 . 1 1 58 58 LEU HB3 H 1 1.030 0.05 . 1 . . . . . . . . 4683 1 626 . 1 1 58 58 LEU CG C 13 25.663 0.10 . 1 . . . . . . . . 4683 1 627 . 1 1 58 58 LEU HG H 1 1.577 0.05 . 1 . . . . . . . . 4683 1 628 . 1 1 58 58 LEU CD1 C 13 25.564 0.10 . 1 . . . . . . . . 4683 1 629 . 1 1 58 58 LEU HD11 H 1 0.484 0.05 . 1 . . . . . . . . 4683 1 630 . 1 1 58 58 LEU HD12 H 1 0.484 0.05 . 1 . . . . . . . . 4683 1 631 . 1 1 58 58 LEU HD13 H 1 0.484 0.05 . 1 . . . . . . . . 4683 1 632 . 1 1 58 58 LEU CD2 C 13 22.779 0.10 . 1 . . . . . . . . 4683 1 633 . 1 1 58 58 LEU HD21 H 1 0.401 0.05 . 1 . . . . . . . . 4683 1 634 . 1 1 58 58 LEU HD22 H 1 0.401 0.05 . 1 . . . . . . . . 4683 1 635 . 1 1 58 58 LEU HD23 H 1 0.401 0.05 . 1 . . . . . . . . 4683 1 636 . 1 1 58 58 LEU C C 13 180.063 0.10 . 1 . . . . . . . . 4683 1 637 . 1 1 59 59 ARG N N 15 118.255 0.10 . 1 . . . . . . . . 4683 1 638 . 1 1 59 59 ARG H H 1 8.458 0.05 . 1 . . . . . . . . 4683 1 639 . 1 1 59 59 ARG CA C 13 59.069 0.10 . 1 . . . . . . . . 4683 1 640 . 1 1 59 59 ARG HA H 1 3.975 0.05 . 1 . . . . . . . . 4683 1 641 . 1 1 59 59 ARG CB C 13 30.581 0.10 . 1 . . . . . . . . 4683 1 642 . 1 1 59 59 ARG HB2 H 1 1.884 0.05 . 1 . . . . . . . . 4683 1 643 . 1 1 59 59 ARG HB3 H 1 1.884 0.05 . 1 . . . . . . . . 4683 1 644 . 1 1 59 59 ARG CG C 13 29.333 0.10 . 1 . . . . . . . . 4683 1 645 . 1 1 59 59 ARG HG2 H 1 1.435 0.05 . 1 . . . . . . . . 4683 1 646 . 1 1 59 59 ARG HG3 H 1 1.435 0.05 . 1 . . . . . . . . 4683 1 647 . 1 1 59 59 ARG CD C 13 43.703 0.10 . 1 . . . . . . . . 4683 1 648 . 1 1 59 59 ARG HD2 H 1 2.993 0.05 . 1 . . . . . . . . 4683 1 649 . 1 1 59 59 ARG HD3 H 1 2.993 0.05 . 1 . . . . . . . . 4683 1 650 . 1 1 59 59 ARG C C 13 177.267 0.10 . 1 . . . . . . . . 4683 1 651 . 1 1 60 60 GLN N N 15 116.696 0.10 . 1 . . . . . . . . 4683 1 652 . 1 1 60 60 GLN H H 1 7.499 0.05 . 1 . . . . . . . . 4683 1 653 . 1 1 60 60 GLN CA C 13 55.595 0.10 . 1 . . . . . . . . 4683 1 654 . 1 1 60 60 GLN HA H 1 4.362 0.05 . 1 . . . . . . . . 4683 1 655 . 1 1 60 60 GLN CB C 13 28.781 0.10 . 1 . . . . . . . . 4683 1 656 . 1 1 60 60 GLN HB2 H 1 2.091 0.05 . 1 . . . . . . . . 4683 1 657 . 1 1 60 60 GLN HB3 H 1 2.230 0.05 . 1 . . . . . . . . 4683 1 658 . 1 1 60 60 GLN CG C 13 33.953 0.10 . 1 . . . . . . . . 4683 1 659 . 1 1 60 60 GLN HG2 H 1 2.419 0.05 . 1 . . . . . . . . 4683 1 660 . 1 1 60 60 GLN HG3 H 1 2.563 0.05 . 1 . . . . . . . . 4683 1 661 . 1 1 60 60 GLN NE2 N 15 111.029 0.10 . 1 . . . . . . . . 4683 1 662 . 1 1 60 60 GLN HE21 H 1 7.343 0.05 . 1 . . . . . . . . 4683 1 663 . 1 1 60 60 GLN HE22 H 1 6.839 0.05 . 1 . . . . . . . . 4683 1 664 . 1 1 60 60 GLN C C 13 175.969 0.10 . 1 . . . . . . . . 4683 1 665 . 1 1 61 61 SER N N 15 114.630 0.10 . 1 . . . . . . . . 4683 1 666 . 1 1 61 61 SER H H 1 7.300 0.05 . 1 . . . . . . . . 4683 1 667 . 1 1 61 61 SER CA C 13 59.098 0.10 . 1 . . . . . . . . 4683 1 668 . 1 1 61 61 SER HA H 1 4.301 0.05 . 1 . . . . . . . . 4683 1 669 . 1 1 61 61 SER CB C 13 63.916 0.10 . 1 . . . . . . . . 4683 1 670 . 1 1 61 61 SER HB2 H 1 3.989 0.05 . 1 . . . . . . . . 4683 1 671 . 1 1 61 61 SER HB3 H 1 3.989 0.05 . 1 . . . . . . . . 4683 1 672 . 1 1 61 61 SER C C 13 174.695 0.10 . 1 . . . . . . . . 4683 1 673 . 1 1 62 62 ARG N N 15 121.933 0.10 . 1 . . . . . . . . 4683 1 674 . 1 1 62 62 ARG H H 1 8.455 0.05 . 1 . . . . . . . . 4683 1 675 . 1 1 62 62 ARG CA C 13 56.067 0.10 . 1 . . . . . . . . 4683 1 676 . 1 1 62 62 ARG HA H 1 4.263 0.05 . 1 . . . . . . . . 4683 1 677 . 1 1 62 62 ARG CB C 13 28.984 0.10 . 1 . . . . . . . . 4683 1 678 . 1 1 62 62 ARG HB2 H 1 1.805 0.05 . 1 . . . . . . . . 4683 1 679 . 1 1 62 62 ARG HB3 H 1 2.013 0.05 . 1 . . . . . . . . 4683 1 680 . 1 1 62 62 ARG CG C 13 27.209 0.10 . 1 . . . . . . . . 4683 1 681 . 1 1 62 62 ARG HG2 H 1 1.685 0.05 . 1 . . . . . . . . 4683 1 682 . 1 1 62 62 ARG HG3 H 1 1.685 0.05 . 1 . . . . . . . . 4683 1 683 . 1 1 62 62 ARG CD C 13 43.040 0.10 . 1 . . . . . . . . 4683 1 684 . 1 1 62 62 ARG HD2 H 1 3.216 0.05 . 1 . . . . . . . . 4683 1 685 . 1 1 62 62 ARG HD3 H 1 3.216 0.05 . 1 . . . . . . . . 4683 1 686 . 1 1 62 62 ARG C C 13 176.167 0.10 . 1 . . . . . . . . 4683 1 687 . 1 1 63 63 ARG N N 15 121.506 0.10 . 1 . . . . . . . . 4683 1 688 . 1 1 63 63 ARG H H 1 7.905 0.05 . 1 . . . . . . . . 4683 1 689 . 1 1 63 63 ARG CA C 13 55.641 0.10 . 1 . . . . . . . . 4683 1 690 . 1 1 63 63 ARG HA H 1 4.214 0.05 . 1 . . . . . . . . 4683 1 691 . 1 1 63 63 ARG CB C 13 30.644 0.10 . 1 . . . . . . . . 4683 1 692 . 1 1 63 63 ARG HB2 H 1 1.686 0.05 . 1 . . . . . . . . 4683 1 693 . 1 1 63 63 ARG HB3 H 1 1.686 0.05 . 1 . . . . . . . . 4683 1 694 . 1 1 63 63 ARG CG C 13 27.053 0.10 . 1 . . . . . . . . 4683 1 695 . 1 1 63 63 ARG HG2 H 1 1.570 0.05 . 1 . . . . . . . . 4683 1 696 . 1 1 63 63 ARG HG3 H 1 1.570 0.05 . 1 . . . . . . . . 4683 1 697 . 1 1 63 63 ARG CD C 13 43.281 0.10 . 1 . . . . . . . . 4683 1 698 . 1 1 63 63 ARG HD2 H 1 3.156 0.05 . 1 . . . . . . . . 4683 1 699 . 1 1 63 63 ARG HD3 H 1 3.156 0.05 . 1 . . . . . . . . 4683 1 700 . 1 1 63 63 ARG C C 13 176.136 0.10 . 1 . . . . . . . . 4683 1 701 . 1 1 64 64 ARG N N 15 127.376 0.10 . 1 . . . . . . . . 4683 1 702 . 1 1 64 64 ARG H H 1 8.657 0.05 . 1 . . . . . . . . 4683 1 703 . 1 1 64 64 ARG CA C 13 54.269 0.10 . 1 . . . . . . . . 4683 1 704 . 1 1 64 64 ARG HA H 1 4.494 0.05 . 1 . . . . . . . . 4683 1 705 . 1 1 64 64 ARG CB C 13 30.166 0.10 . 1 . . . . . . . . 4683 1 706 . 1 1 64 64 ARG HB2 H 1 1.754 0.05 . 1 . . . . . . . . 4683 1 707 . 1 1 64 64 ARG HB3 H 1 1.754 0.05 . 1 . . . . . . . . 4683 1 708 . 1 1 64 64 ARG HG2 H 1 1.754 0.05 . 1 . . . . . . . . 4683 1 709 . 1 1 64 64 ARG HG3 H 1 1.754 0.05 . 1 . . . . . . . . 4683 1 710 . 1 1 64 64 ARG CD C 13 42.888 0.10 . 1 . . . . . . . . 4683 1 711 . 1 1 64 64 ARG HD2 H 1 2.971 0.05 . 1 . . . . . . . . 4683 1 712 . 1 1 64 64 ARG HD3 H 1 2.971 0.05 . 1 . . . . . . . . 4683 1 713 . 1 1 65 65 PRO CA C 13 62.387 0.10 . 1 . . . . . . . . 4683 1 714 . 1 1 65 65 PRO HA H 1 4.498 0.05 . 1 . . . . . . . . 4683 1 715 . 1 1 65 65 PRO CB C 13 32.831 0.10 . 1 . . . . . . . . 4683 1 716 . 1 1 65 65 PRO HB2 H 1 1.593 0.05 . 1 . . . . . . . . 4683 1 717 . 1 1 65 65 PRO HB3 H 1 1.980 0.05 . 1 . . . . . . . . 4683 1 718 . 1 1 65 65 PRO CG C 13 26.839 0.10 . 1 . . . . . . . . 4683 1 719 . 1 1 65 65 PRO CD C 13 50.677 0.10 . 1 . . . . . . . . 4683 1 720 . 1 1 65 65 PRO HD2 H 1 4.126 0.05 . 1 . . . . . . . . 4683 1 721 . 1 1 65 65 PRO HD3 H 1 3.644 0.05 . 1 . . . . . . . . 4683 1 722 . 1 1 65 65 PRO C C 13 175.953 0.10 . 1 . . . . . . . . 4683 1 723 . 1 1 66 66 VAL N N 15 121.840 0.10 . 1 . . . . . . . . 4683 1 724 . 1 1 66 66 VAL H H 1 8.045 0.05 . 1 . . . . . . . . 4683 1 725 . 1 1 66 66 VAL CA C 13 61.548 0.10 . 1 . . . . . . . . 4683 1 726 . 1 1 66 66 VAL HA H 1 4.303 0.05 . 1 . . . . . . . . 4683 1 727 . 1 1 66 66 VAL CB C 13 34.448 0.10 . 1 . . . . . . . . 4683 1 728 . 1 1 66 66 VAL HB H 1 2.158 0.05 . 1 . . . . . . . . 4683 1 729 . 1 1 66 66 VAL CG2 C 13 21.114 0.10 . 1 . . . . . . . . 4683 1 730 . 1 1 66 66 VAL HG21 H 1 1.045 0.05 . 1 . . . . . . . . 4683 1 731 . 1 1 66 66 VAL HG22 H 1 1.045 0.05 . 1 . . . . . . . . 4683 1 732 . 1 1 66 66 VAL HG23 H 1 1.045 0.05 . 1 . . . . . . . . 4683 1 733 . 1 1 66 66 VAL CG1 C 13 21.114 0.10 . 1 . . . . . . . . 4683 1 734 . 1 1 66 66 VAL HG11 H 1 1.045 0.05 . 1 . . . . . . . . 4683 1 735 . 1 1 66 66 VAL HG12 H 1 1.045 0.05 . 1 . . . . . . . . 4683 1 736 . 1 1 66 66 VAL HG13 H 1 1.045 0.05 . 1 . . . . . . . . 4683 1 737 . 1 1 66 66 VAL C C 13 175.632 0.10 . 1 . . . . . . . . 4683 1 738 . 1 1 67 67 ARG N N 15 129.710 0.10 . 1 . . . . . . . . 4683 1 739 . 1 1 67 67 ARG H H 1 8.986 0.05 . 1 . . . . . . . . 4683 1 740 . 1 1 67 67 ARG CA C 13 55.389 0.10 . 1 . . . . . . . . 4683 1 741 . 1 1 67 67 ARG HA H 1 4.945 0.05 . 1 . . . . . . . . 4683 1 742 . 1 1 67 67 ARG CB C 13 30.486 0.10 . 1 . . . . . . . . 4683 1 743 . 1 1 67 67 ARG HB2 H 1 1.822 0.05 . 1 . . . . . . . . 4683 1 744 . 1 1 67 67 ARG HB3 H 1 2.038 0.05 . 1 . . . . . . . . 4683 1 745 . 1 1 67 67 ARG CG C 13 28.131 0.10 . 1 . . . . . . . . 4683 1 746 . 1 1 67 67 ARG HG2 H 1 1.687 0.05 . 1 . . . . . . . . 4683 1 747 . 1 1 67 67 ARG HG3 H 1 1.687 0.05 . 1 . . . . . . . . 4683 1 748 . 1 1 67 67 ARG CD C 13 43.140 0.10 . 1 . . . . . . . . 4683 1 749 . 1 1 67 67 ARG HD2 H 1 3.269 0.05 . 1 . . . . . . . . 4683 1 750 . 1 1 67 67 ARG HD3 H 1 3.269 0.05 . 1 . . . . . . . . 4683 1 751 . 1 1 67 67 ARG C C 13 176.051 0.10 . 1 . . . . . . . . 4683 1 752 . 1 1 68 68 GLY N N 15 112.966 0.10 . 1 . . . . . . . . 4683 1 753 . 1 1 68 68 GLY H H 1 9.116 0.05 . 1 . . . . . . . . 4683 1 754 . 1 1 68 68 GLY CA C 13 46.207 0.10 . 1 . . . . . . . . 4683 1 755 . 1 1 68 68 GLY HA2 H 1 4.176 0.05 . 1 . . . . . . . . 4683 1 756 . 1 1 68 68 GLY HA3 H 1 4.668 0.05 . 1 . . . . . . . . 4683 1 757 . 1 1 68 68 GLY C C 13 171.880 0.10 . 1 . . . . . . . . 4683 1 758 . 1 1 69 69 LEU N N 15 122.956 0.10 . 1 . . . . . . . . 4683 1 759 . 1 1 69 69 LEU H H 1 8.567 0.05 . 1 . . . . . . . . 4683 1 760 . 1 1 69 69 LEU CA C 13 53.116 0.10 . 1 . . . . . . . . 4683 1 761 . 1 1 69 69 LEU HA H 1 5.191 0.05 . 1 . . . . . . . . 4683 1 762 . 1 1 69 69 LEU CB C 13 45.504 0.10 . 1 . . . . . . . . 4683 1 763 . 1 1 69 69 LEU HB2 H 1 0.851 0.05 . 1 . . . . . . . . 4683 1 764 . 1 1 69 69 LEU HB3 H 1 1.531 0.05 . 1 . . . . . . . . 4683 1 765 . 1 1 69 69 LEU CG C 13 26.754 0.10 . 1 . . . . . . . . 4683 1 766 . 1 1 69 69 LEU HG H 1 1.542 0.05 . 1 . . . . . . . . 4683 1 767 . 1 1 69 69 LEU CD1 C 13 25.032 0.10 . 1 . . . . . . . . 4683 1 768 . 1 1 69 69 LEU HD11 H 1 0.837 0.05 . 1 . . . . . . . . 4683 1 769 . 1 1 69 69 LEU HD12 H 1 0.837 0.05 . 1 . . . . . . . . 4683 1 770 . 1 1 69 69 LEU HD13 H 1 0.837 0.05 . 1 . . . . . . . . 4683 1 771 . 1 1 69 69 LEU CD2 C 13 23.670 0.10 . 1 . . . . . . . . 4683 1 772 . 1 1 69 69 LEU HD21 H 1 0.742 0.05 . 1 . . . . . . . . 4683 1 773 . 1 1 69 69 LEU HD22 H 1 0.742 0.05 . 1 . . . . . . . . 4683 1 774 . 1 1 69 69 LEU HD23 H 1 0.742 0.05 . 1 . . . . . . . . 4683 1 775 . 1 1 69 69 LEU C C 13 174.815 0.10 . 1 . . . . . . . . 4683 1 776 . 1 1 70 70 LEU N N 15 124.263 0.10 . 1 . . . . . . . . 4683 1 777 . 1 1 70 70 LEU H H 1 9.048 0.05 . 1 . . . . . . . . 4683 1 778 . 1 1 70 70 LEU CA C 13 53.007 0.10 . 1 . . . . . . . . 4683 1 779 . 1 1 70 70 LEU HA H 1 5.096 0.05 . 1 . . . . . . . . 4683 1 780 . 1 1 70 70 LEU CB C 13 44.282 0.10 . 1 . . . . . . . . 4683 1 781 . 1 1 70 70 LEU HB2 H 1 1.152 0.05 . 1 . . . . . . . . 4683 1 782 . 1 1 70 70 LEU HB3 H 1 1.788 0.05 . 1 . . . . . . . . 4683 1 783 . 1 1 70 70 LEU CG C 13 27.575 0.10 . 1 . . . . . . . . 4683 1 784 . 1 1 70 70 LEU HG H 1 0.636 0.05 . 1 . . . . . . . . 4683 1 785 . 1 1 70 70 LEU CD1 C 13 22.889 0.10 . 1 . . . . . . . . 4683 1 786 . 1 1 70 70 LEU HD11 H 1 0.637 0.05 . 1 . . . . . . . . 4683 1 787 . 1 1 70 70 LEU HD12 H 1 0.637 0.05 . 1 . . . . . . . . 4683 1 788 . 1 1 70 70 LEU HD13 H 1 0.637 0.05 . 1 . . . . . . . . 4683 1 789 . 1 1 70 70 LEU CD2 C 13 25.291 0.10 . 1 . . . . . . . . 4683 1 790 . 1 1 70 70 LEU HD21 H 1 0.117 0.05 . 1 . . . . . . . . 4683 1 791 . 1 1 70 70 LEU HD22 H 1 0.117 0.05 . 1 . . . . . . . . 4683 1 792 . 1 1 70 70 LEU HD23 H 1 0.117 0.05 . 1 . . . . . . . . 4683 1 793 . 1 1 70 70 LEU C C 13 174.432 0.10 . 1 . . . . . . . . 4683 1 794 . 1 1 71 71 HIS N N 15 127.812 0.10 . 1 . . . . . . . . 4683 1 795 . 1 1 71 71 HIS H H 1 9.811 0.05 . 1 . . . . . . . . 4683 1 796 . 1 1 71 71 HIS CA C 13 54.727 0.10 . 1 . . . . . . . . 4683 1 797 . 1 1 71 71 HIS HA H 1 4.955 0.05 . 1 . . . . . . . . 4683 1 798 . 1 1 71 71 HIS CB C 13 31.725 0.10 . 1 . . . . . . . . 4683 1 799 . 1 1 71 71 HIS HB2 H 1 2.986 0.05 . 1 . . . . . . . . 4683 1 800 . 1 1 71 71 HIS HB3 H 1 2.986 0.05 . 1 . . . . . . . . 4683 1 801 . 1 1 71 71 HIS HD2 H 1 6.681 0.05 . 1 . . . . . . . . 4683 1 802 . 1 1 71 71 HIS C C 13 175.132 0.10 . 1 . . . . . . . . 4683 1 803 . 1 1 72 72 VAL N N 15 123.575 0.10 . 1 . . . . . . . . 4683 1 804 . 1 1 72 72 VAL H H 1 8.303 0.05 . 1 . . . . . . . . 4683 1 805 . 1 1 72 72 VAL CA C 13 61.571 0.10 . 1 . . . . . . . . 4683 1 806 . 1 1 72 72 VAL HA H 1 4.407 0.05 . 1 . . . . . . . . 4683 1 807 . 1 1 72 72 VAL CB C 13 33.798 0.10 . 1 . . . . . . . . 4683 1 808 . 1 1 72 72 VAL HB H 1 1.809 0.05 . 1 . . . . . . . . 4683 1 809 . 1 1 72 72 VAL CG2 C 13 19.950 0.10 . 1 . . . . . . . . 4683 1 810 . 1 1 72 72 VAL HG21 H 1 0.680 0.05 . 1 . . . . . . . . 4683 1 811 . 1 1 72 72 VAL HG22 H 1 0.680 0.05 . 1 . . . . . . . . 4683 1 812 . 1 1 72 72 VAL HG23 H 1 0.680 0.05 . 1 . . . . . . . . 4683 1 813 . 1 1 72 72 VAL CG1 C 13 22.844 0.10 . 1 . . . . . . . . 4683 1 814 . 1 1 72 72 VAL HG11 H 1 0.632 0.05 . 1 . . . . . . . . 4683 1 815 . 1 1 72 72 VAL HG12 H 1 0.632 0.05 . 1 . . . . . . . . 4683 1 816 . 1 1 72 72 VAL HG13 H 1 0.632 0.05 . 1 . . . . . . . . 4683 1 817 . 1 1 72 72 VAL C C 13 173.559 0.10 . 1 . . . . . . . . 4683 1 818 . 1 1 73 73 SER N N 15 121.590 0.10 . 1 . . . . . . . . 4683 1 819 . 1 1 73 73 SER H H 1 8.260 0.05 . 1 . . . . . . . . 4683 1 820 . 1 1 73 73 SER CA C 13 56.754 0.10 . 1 . . . . . . . . 4683 1 821 . 1 1 73 73 SER HA H 1 5.151 0.05 . 1 . . . . . . . . 4683 1 822 . 1 1 73 73 SER CB C 13 67.206 0.10 . 1 . . . . . . . . 4683 1 823 . 1 1 73 73 SER HB2 H 1 4.028 0.05 . 1 . . . . . . . . 4683 1 824 . 1 1 73 73 SER HB3 H 1 4.401 0.05 . 1 . . . . . . . . 4683 1 825 . 1 1 73 73 SER C C 13 172.990 0.10 . 1 . . . . . . . . 4683 1 826 . 1 1 74 74 GLY N N 15 104.915 0.10 . 1 . . . . . . . . 4683 1 827 . 1 1 74 74 GLY H H 1 9.118 0.05 . 1 . . . . . . . . 4683 1 828 . 1 1 74 74 GLY CA C 13 45.948 0.10 . 1 . . . . . . . . 4683 1 829 . 1 1 74 74 GLY HA2 H 1 3.558 0.05 . 1 . . . . . . . . 4683 1 830 . 1 1 74 74 GLY HA3 H 1 3.960 0.05 . 1 . . . . . . . . 4683 1 831 . 1 1 74 74 GLY C C 13 172.498 0.10 . 1 . . . . . . . . 4683 1 832 . 1 1 75 75 ASP N N 15 114.854 0.10 . 1 . . . . . . . . 4683 1 833 . 1 1 75 75 ASP H H 1 7.952 0.05 . 1 . . . . . . . . 4683 1 834 . 1 1 75 75 ASP CA C 13 54.089 0.10 . 1 . . . . . . . . 4683 1 835 . 1 1 75 75 ASP HA H 1 4.800 0.05 . 1 . . . . . . . . 4683 1 836 . 1 1 75 75 ASP CB C 13 42.036 0.10 . 1 . . . . . . . . 4683 1 837 . 1 1 75 75 ASP HB2 H 1 2.462 0.05 . 1 . . . . . . . . 4683 1 838 . 1 1 75 75 ASP HB3 H 1 2.714 0.05 . 1 . . . . . . . . 4683 1 839 . 1 1 75 75 ASP C C 13 176.801 0.10 . 1 . . . . . . . . 4683 1 840 . 1 1 76 76 GLY N N 15 108.340 0.10 . 1 . . . . . . . . 4683 1 841 . 1 1 76 76 GLY H H 1 7.472 0.05 . 1 . . . . . . . . 4683 1 842 . 1 1 76 76 GLY CA C 13 45.985 0.10 . 1 . . . . . . . . 4683 1 843 . 1 1 76 76 GLY HA2 H 1 4.001 0.05 . 1 . . . . . . . . 4683 1 844 . 1 1 76 76 GLY HA3 H 1 4.416 0.05 . 1 . . . . . . . . 4683 1 845 . 1 1 76 76 GLY C C 13 170.650 0.10 . 1 . . . . . . . . 4683 1 846 . 1 1 77 77 LEU N N 15 118.272 0.10 . 1 . . . . . . . . 4683 1 847 . 1 1 77 77 LEU H H 1 8.686 0.05 . 1 . . . . . . . . 4683 1 848 . 1 1 77 77 LEU CA C 13 52.584 0.10 . 1 . . . . . . . . 4683 1 849 . 1 1 77 77 LEU HA H 1 5.290 0.05 . 1 . . . . . . . . 4683 1 850 . 1 1 77 77 LEU CB C 13 43.025 0.10 . 1 . . . . . . . . 4683 1 851 . 1 1 77 77 LEU HB2 H 1 1.108 0.05 . 1 . . . . . . . . 4683 1 852 . 1 1 77 77 LEU HB3 H 1 1.554 0.05 . 1 . . . . . . . . 4683 1 853 . 1 1 77 77 LEU CG C 13 25.706 0.10 . 1 . . . . . . . . 4683 1 854 . 1 1 77 77 LEU HG H 1 1.429 0.05 . 1 . . . . . . . . 4683 1 855 . 1 1 77 77 LEU CD1 C 13 25.526 0.10 . 1 . . . . . . . . 4683 1 856 . 1 1 77 77 LEU HD11 H 1 0.254 0.05 . 1 . . . . . . . . 4683 1 857 . 1 1 77 77 LEU HD12 H 1 0.254 0.05 . 1 . . . . . . . . 4683 1 858 . 1 1 77 77 LEU HD13 H 1 0.254 0.05 . 1 . . . . . . . . 4683 1 859 . 1 1 77 77 LEU CD2 C 13 25.842 0.10 . 1 . . . . . . . . 4683 1 860 . 1 1 77 77 LEU HD21 H 1 0.776 0.05 . 1 . . . . . . . . 4683 1 861 . 1 1 77 77 LEU HD22 H 1 0.776 0.05 . 1 . . . . . . . . 4683 1 862 . 1 1 77 77 LEU HD23 H 1 0.776 0.05 . 1 . . . . . . . . 4683 1 863 . 1 1 77 77 LEU C C 13 175.393 0.10 . 1 . . . . . . . . 4683 1 864 . 1 1 78 78 ARG N N 15 121.571 0.10 . 1 . . . . . . . . 4683 1 865 . 1 1 78 78 ARG H H 1 8.525 0.05 . 1 . . . . . . . . 4683 1 866 . 1 1 78 78 ARG CA C 13 54.093 0.10 . 1 . . . . . . . . 4683 1 867 . 1 1 78 78 ARG HA H 1 5.291 0.05 . 1 . . . . . . . . 4683 1 868 . 1 1 78 78 ARG CB C 13 34.336 0.10 . 1 . . . . . . . . 4683 1 869 . 1 1 78 78 ARG HB2 H 1 1.649 0.05 . 1 . . . . . . . . 4683 1 870 . 1 1 78 78 ARG HB3 H 1 1.649 0.05 . 1 . . . . . . . . 4683 1 871 . 1 1 78 78 ARG CG C 13 28.502 0.10 . 1 . . . . . . . . 4683 1 872 . 1 1 78 78 ARG HG2 H 1 1.635 0.05 . 1 . . . . . . . . 4683 1 873 . 1 1 78 78 ARG HG3 H 1 1.635 0.05 . 1 . . . . . . . . 4683 1 874 . 1 1 78 78 ARG CD C 13 43.399 0.10 . 1 . . . . . . . . 4683 1 875 . 1 1 78 78 ARG HD2 H 1 2.954 0.05 . 1 . . . . . . . . 4683 1 876 . 1 1 78 78 ARG HD3 H 1 2.954 0.05 . 1 . . . . . . . . 4683 1 877 . 1 1 78 78 ARG C C 13 175.184 0.10 . 1 . . . . . . . . 4683 1 878 . 1 1 79 79 VAL N N 15 122.445 0.10 . 1 . . . . . . . . 4683 1 879 . 1 1 79 79 VAL H H 1 8.820 0.05 . 1 . . . . . . . . 4683 1 880 . 1 1 79 79 VAL CA C 13 60.357 0.10 . 1 . . . . . . . . 4683 1 881 . 1 1 79 79 VAL HA H 1 5.350 0.05 . 1 . . . . . . . . 4683 1 882 . 1 1 79 79 VAL CB C 13 33.153 0.10 . 1 . . . . . . . . 4683 1 883 . 1 1 79 79 VAL HB H 1 1.723 0.05 . 1 . . . . . . . . 4683 1 884 . 1 1 79 79 VAL CG2 C 13 21.975 0.10 . 1 . . . . . . . . 4683 1 885 . 1 1 79 79 VAL HG21 H 1 0.883 0.05 . 1 . . . . . . . . 4683 1 886 . 1 1 79 79 VAL HG22 H 1 0.883 0.05 . 1 . . . . . . . . 4683 1 887 . 1 1 79 79 VAL HG23 H 1 0.883 0.05 . 1 . . . . . . . . 4683 1 888 . 1 1 79 79 VAL CG1 C 13 20.229 0.10 . 1 . . . . . . . . 4683 1 889 . 1 1 79 79 VAL HG11 H 1 0.619 0.05 . 1 . . . . . . . . 4683 1 890 . 1 1 79 79 VAL HG12 H 1 0.619 0.05 . 1 . . . . . . . . 4683 1 891 . 1 1 79 79 VAL HG13 H 1 0.619 0.05 . 1 . . . . . . . . 4683 1 892 . 1 1 79 79 VAL C C 13 174.557 0.10 . 1 . . . . . . . . 4683 1 893 . 1 1 80 80 VAL N N 15 128.197 0.10 . 1 . . . . . . . . 4683 1 894 . 1 1 80 80 VAL H H 1 8.726 0.05 . 1 . . . . . . . . 4683 1 895 . 1 1 80 80 VAL CA C 13 59.822 0.10 . 1 . . . . . . . . 4683 1 896 . 1 1 80 80 VAL HA H 1 4.848 0.05 . 1 . . . . . . . . 4683 1 897 . 1 1 80 80 VAL CB C 13 34.765 0.10 . 1 . . . . . . . . 4683 1 898 . 1 1 80 80 VAL HB H 1 1.898 0.05 . 1 . . . . . . . . 4683 1 899 . 1 1 80 80 VAL CG2 C 13 20.692 0.10 . 1 . . . . . . . . 4683 1 900 . 1 1 80 80 VAL HG21 H 1 0.808 0.05 . 1 . . . . . . . . 4683 1 901 . 1 1 80 80 VAL HG22 H 1 0.808 0.05 . 1 . . . . . . . . 4683 1 902 . 1 1 80 80 VAL HG23 H 1 0.808 0.05 . 1 . . . . . . . . 4683 1 903 . 1 1 80 80 VAL CG1 C 13 20.692 0.10 . 1 . . . . . . . . 4683 1 904 . 1 1 80 80 VAL HG11 H 1 0.808 0.05 . 1 . . . . . . . . 4683 1 905 . 1 1 80 80 VAL HG12 H 1 0.808 0.05 . 1 . . . . . . . . 4683 1 906 . 1 1 80 80 VAL HG13 H 1 0.808 0.05 . 1 . . . . . . . . 4683 1 907 . 1 1 80 80 VAL C C 13 176.065 0.10 . 1 . . . . . . . . 4683 1 908 . 1 1 81 81 ASP N N 15 128.906 0.10 . 1 . . . . . . . . 4683 1 909 . 1 1 81 81 ASP H H 1 8.903 0.05 . 1 . . . . . . . . 4683 1 910 . 1 1 81 81 ASP CA C 13 54.547 0.10 . 1 . . . . . . . . 4683 1 911 . 1 1 81 81 ASP HA H 1 4.467 0.05 . 1 . . . . . . . . 4683 1 912 . 1 1 81 81 ASP CB C 13 42.974 0.10 . 1 . . . . . . . . 4683 1 913 . 1 1 81 81 ASP HB2 H 1 2.601 0.05 . 1 . . . . . . . . 4683 1 914 . 1 1 81 81 ASP HB3 H 1 2.973 0.05 . 1 . . . . . . . . 4683 1 915 . 1 1 81 81 ASP C C 13 176.896 0.10 . 1 . . . . . . . . 4683 1 916 . 1 1 82 82 ASP N N 15 127.478 0.10 . 1 . . . . . . . . 4683 1 917 . 1 1 82 82 ASP H H 1 9.122 0.05 . 1 . . . . . . . . 4683 1 918 . 1 1 82 82 ASP CA C 13 57.124 0.10 . 1 . . . . . . . . 4683 1 919 . 1 1 82 82 ASP HA H 1 4.485 0.05 . 1 . . . . . . . . 4683 1 920 . 1 1 82 82 ASP CB C 13 41.903 0.10 . 1 . . . . . . . . 4683 1 921 . 1 1 82 82 ASP HB2 H 1 2.570 0.05 . 1 . . . . . . . . 4683 1 922 . 1 1 82 82 ASP HB3 H 1 2.570 0.05 . 1 . . . . . . . . 4683 1 923 . 1 1 82 82 ASP C C 13 177.501 0.10 . 1 . . . . . . . . 4683 1 924 . 1 1 83 83 GLU N N 15 118.423 0.10 . 1 . . . . . . . . 4683 1 925 . 1 1 83 83 GLU H H 1 8.824 0.05 . 1 . . . . . . . . 4683 1 926 . 1 1 83 83 GLU CA C 13 58.821 0.10 . 1 . . . . . . . . 4683 1 927 . 1 1 83 83 GLU HA H 1 4.230 0.05 . 1 . . . . . . . . 4683 1 928 . 1 1 83 83 GLU CB C 13 30.157 0.10 . 1 . . . . . . . . 4683 1 929 . 1 1 83 83 GLU HB2 H 1 2.233 0.05 . 1 . . . . . . . . 4683 1 930 . 1 1 83 83 GLU HB3 H 1 2.233 0.05 . 1 . . . . . . . . 4683 1 931 . 1 1 83 83 GLU CG C 13 36.262 0.10 . 1 . . . . . . . . 4683 1 932 . 1 1 83 83 GLU HG2 H 1 2.412 0.05 . 1 . . . . . . . . 4683 1 933 . 1 1 83 83 GLU HG3 H 1 2.412 0.05 . 1 . . . . . . . . 4683 1 934 . 1 1 83 83 GLU C C 13 178.233 0.10 . 1 . . . . . . . . 4683 1 935 . 1 1 84 84 THR N N 15 107.451 0.10 . 1 . . . . . . . . 4683 1 936 . 1 1 84 84 THR H H 1 8.087 0.05 . 1 . . . . . . . . 4683 1 937 . 1 1 84 84 THR CA C 13 61.617 0.10 . 1 . . . . . . . . 4683 1 938 . 1 1 84 84 THR HA H 1 4.376 0.05 . 1 . . . . . . . . 4683 1 939 . 1 1 84 84 THR CB C 13 70.848 0.10 . 1 . . . . . . . . 4683 1 940 . 1 1 84 84 THR HB H 1 4.376 0.05 . 1 . . . . . . . . 4683 1 941 . 1 1 84 84 THR CG2 C 13 21.220 0.10 . 1 . . . . . . . . 4683 1 942 . 1 1 84 84 THR HG21 H 1 1.251 0.05 . 1 . . . . . . . . 4683 1 943 . 1 1 84 84 THR HG22 H 1 1.251 0.05 . 1 . . . . . . . . 4683 1 944 . 1 1 84 84 THR HG23 H 1 1.251 0.05 . 1 . . . . . . . . 4683 1 945 . 1 1 84 84 THR C C 13 176.048 0.10 . 1 . . . . . . . . 4683 1 946 . 1 1 85 85 LYS N N 15 116.705 0.10 . 1 . . . . . . . . 4683 1 947 . 1 1 85 85 LYS H H 1 8.078 0.05 . 1 . . . . . . . . 4683 1 948 . 1 1 85 85 LYS CA C 13 56.960 0.10 . 1 . . . . . . . . 4683 1 949 . 1 1 85 85 LYS HA H 1 4.088 0.05 . 1 . . . . . . . . 4683 1 950 . 1 1 85 85 LYS CB C 13 28.703 0.10 . 1 . . . . . . . . 4683 1 951 . 1 1 85 85 LYS HB2 H 1 1.982 0.05 . 1 . . . . . . . . 4683 1 952 . 1 1 85 85 LYS HB3 H 1 2.195 0.05 . 1 . . . . . . . . 4683 1 953 . 1 1 85 85 LYS CG C 13 24.784 0.10 . 1 . . . . . . . . 4683 1 954 . 1 1 85 85 LYS HG2 H 1 1.310 0.05 . 1 . . . . . . . . 4683 1 955 . 1 1 85 85 LYS HG3 H 1 1.413 0.05 . 1 . . . . . . . . 4683 1 956 . 1 1 85 85 LYS CD C 13 28.610 0.10 . 1 . . . . . . . . 4683 1 957 . 1 1 85 85 LYS HD2 H 1 1.702 0.05 . 1 . . . . . . . . 4683 1 958 . 1 1 85 85 LYS HD3 H 1 1.581 0.05 . 1 . . . . . . . . 4683 1 959 . 1 1 85 85 LYS CE C 13 42.573 0.10 . 1 . . . . . . . . 4683 1 960 . 1 1 85 85 LYS HE2 H 1 3.006 0.05 . 1 . . . . . . . . 4683 1 961 . 1 1 85 85 LYS HE3 H 1 3.006 0.05 . 1 . . . . . . . . 4683 1 962 . 1 1 85 85 LYS C C 13 175.794 0.10 . 1 . . . . . . . . 4683 1 963 . 1 1 86 86 GLY N N 15 107.550 0.10 . 1 . . . . . . . . 4683 1 964 . 1 1 86 86 GLY H H 1 8.382 0.05 . 1 . . . . . . . . 4683 1 965 . 1 1 86 86 GLY CA C 13 44.253 0.10 . 1 . . . . . . . . 4683 1 966 . 1 1 86 86 GLY HA2 H 1 3.555 0.05 . 1 . . . . . . . . 4683 1 967 . 1 1 86 86 GLY HA3 H 1 4.160 0.05 . 1 . . . . . . . . 4683 1 968 . 1 1 86 86 GLY C C 13 172.394 0.10 . 1 . . . . . . . . 4683 1 969 . 1 1 87 87 LEU N N 15 123.865 0.10 . 1 . . . . . . . . 4683 1 970 . 1 1 87 87 LEU H H 1 8.442 0.05 . 1 . . . . . . . . 4683 1 971 . 1 1 87 87 LEU CA C 13 54.815 0.10 . 1 . . . . . . . . 4683 1 972 . 1 1 87 87 LEU HA H 1 4.539 0.05 . 1 . . . . . . . . 4683 1 973 . 1 1 87 87 LEU CB C 13 41.736 0.10 . 1 . . . . . . . . 4683 1 974 . 1 1 87 87 LEU HB2 H 1 1.520 0.05 . 1 . . . . . . . . 4683 1 975 . 1 1 87 87 LEU HB3 H 1 1.672 0.05 . 1 . . . . . . . . 4683 1 976 . 1 1 87 87 LEU CG C 13 25.494 0.10 . 1 . . . . . . . . 4683 1 977 . 1 1 87 87 LEU HG H 1 1.489 0.05 . 1 . . . . . . . . 4683 1 978 . 1 1 87 87 LEU CD1 C 13 24.244 0.10 . 1 . . . . . . . . 4683 1 979 . 1 1 87 87 LEU HD11 H 1 0.856 0.05 . 1 . . . . . . . . 4683 1 980 . 1 1 87 87 LEU HD12 H 1 0.856 0.05 . 1 . . . . . . . . 4683 1 981 . 1 1 87 87 LEU HD13 H 1 0.856 0.05 . 1 . . . . . . . . 4683 1 982 . 1 1 87 87 LEU CD2 C 13 25.605 0.10 . 1 . . . . . . . . 4683 1 983 . 1 1 87 87 LEU HD21 H 1 0.836 0.05 . 1 . . . . . . . . 4683 1 984 . 1 1 87 87 LEU HD22 H 1 0.836 0.05 . 1 . . . . . . . . 4683 1 985 . 1 1 87 87 LEU HD23 H 1 0.836 0.05 . 1 . . . . . . . . 4683 1 986 . 1 1 87 87 LEU C C 13 176.721 0.10 . 1 . . . . . . . . 4683 1 987 . 1 1 88 88 ILE N N 15 125.252 0.10 . 1 . . . . . . . . 4683 1 988 . 1 1 88 88 ILE H H 1 8.800 0.05 . 1 . . . . . . . . 4683 1 989 . 1 1 88 88 ILE CA C 13 61.680 0.10 . 1 . . . . . . . . 4683 1 990 . 1 1 88 88 ILE HA H 1 4.270 0.05 . 1 . . . . . . . . 4683 1 991 . 1 1 88 88 ILE CB C 13 38.595 0.10 . 1 . . . . . . . . 4683 1 992 . 1 1 88 88 ILE HB H 1 1.754 0.05 . 1 . . . . . . . . 4683 1 993 . 1 1 88 88 ILE CG1 C 13 27.150 0.10 . 1 . . . . . . . . 4683 1 994 . 1 1 88 88 ILE HG12 H 1 1.305 0.05 . 1 . . . . . . . . 4683 1 995 . 1 1 88 88 ILE HG13 H 1 1.305 0.05 . 1 . . . . . . . . 4683 1 996 . 1 1 88 88 ILE CD1 C 13 12.534 0.10 . 1 . . . . . . . . 4683 1 997 . 1 1 88 88 ILE HD11 H 1 0.862 0.05 . 1 . . . . . . . . 4683 1 998 . 1 1 88 88 ILE HD12 H 1 0.862 0.05 . 1 . . . . . . . . 4683 1 999 . 1 1 88 88 ILE HD13 H 1 0.862 0.05 . 1 . . . . . . . . 4683 1 1000 . 1 1 88 88 ILE CG2 C 13 18.119 0.10 . 1 . . . . . . . . 4683 1 1001 . 1 1 88 88 ILE HG21 H 1 0.967 0.05 . 1 . . . . . . . . 4683 1 1002 . 1 1 88 88 ILE HG22 H 1 0.967 0.05 . 1 . . . . . . . . 4683 1 1003 . 1 1 88 88 ILE HG23 H 1 0.967 0.05 . 1 . . . . . . . . 4683 1 1004 . 1 1 88 88 ILE C C 13 176.000 0.10 . 1 . . . . . . . . 4683 1 1005 . 1 1 89 89 VAL N N 15 118.848 0.10 . 1 . . . . . . . . 4683 1 1006 . 1 1 89 89 VAL H H 1 7.293 0.05 . 1 . . . . . . . . 4683 1 1007 . 1 1 89 89 VAL CA C 13 61.786 0.10 . 1 . . . . . . . . 4683 1 1008 . 1 1 89 89 VAL HA H 1 4.108 0.05 . 1 . . . . . . . . 4683 1 1009 . 1 1 89 89 VAL CB C 13 36.365 0.10 . 1 . . . . . . . . 4683 1 1010 . 1 1 89 89 VAL HB H 1 1.572 0.05 . 1 . . . . . . . . 4683 1 1011 . 1 1 89 89 VAL CG2 C 13 20.759 0.10 . 1 . . . . . . . . 4683 1 1012 . 1 1 89 89 VAL HG21 H 1 0.617 0.05 . 1 . . . . . . . . 4683 1 1013 . 1 1 89 89 VAL HG22 H 1 0.617 0.05 . 1 . . . . . . . . 4683 1 1014 . 1 1 89 89 VAL HG23 H 1 0.617 0.05 . 1 . . . . . . . . 4683 1 1015 . 1 1 89 89 VAL CG1 C 13 20.957 0.10 . 1 . . . . . . . . 4683 1 1016 . 1 1 89 89 VAL HG11 H 1 0.832 0.05 . 1 . . . . . . . . 4683 1 1017 . 1 1 89 89 VAL HG12 H 1 0.832 0.05 . 1 . . . . . . . . 4683 1 1018 . 1 1 89 89 VAL HG13 H 1 0.832 0.05 . 1 . . . . . . . . 4683 1 1019 . 1 1 89 89 VAL C C 13 173.574 0.10 . 1 . . . . . . . . 4683 1 1020 . 1 1 90 90 ASP N N 15 126.953 0.10 . 1 . . . . . . . . 4683 1 1021 . 1 1 90 90 ASP H H 1 8.615 0.05 . 1 . . . . . . . . 4683 1 1022 . 1 1 90 90 ASP CA C 13 53.435 0.10 . 1 . . . . . . . . 4683 1 1023 . 1 1 90 90 ASP HA H 1 4.944 0.05 . 1 . . . . . . . . 4683 1 1024 . 1 1 90 90 ASP CB C 13 41.736 0.10 . 1 . . . . . . . . 4683 1 1025 . 1 1 90 90 ASP HB2 H 1 2.322 0.05 . 1 . . . . . . . . 4683 1 1026 . 1 1 90 90 ASP HB3 H 1 2.829 0.05 . 1 . . . . . . . . 4683 1 1027 . 1 1 90 90 ASP C C 13 173.817 0.10 . 1 . . . . . . . . 4683 1 1028 . 1 1 91 91 GLN N N 15 125.085 0.10 . 1 . . . . . . . . 4683 1 1029 . 1 1 91 91 GLN H H 1 8.793 0.05 . 1 . . . . . . . . 4683 1 1030 . 1 1 91 91 GLN CA C 13 53.351 0.10 . 1 . . . . . . . . 4683 1 1031 . 1 1 91 91 GLN HA H 1 4.594 0.05 . 1 . . . . . . . . 4683 1 1032 . 1 1 91 91 GLN CB C 13 32.188 0.10 . 1 . . . . . . . . 4683 1 1033 . 1 1 91 91 GLN HB2 H 1 2.044 0.05 . 1 . . . . . . . . 4683 1 1034 . 1 1 91 91 GLN HB3 H 1 1.960 0.05 . 1 . . . . . . . . 4683 1 1035 . 1 1 91 91 GLN CG C 13 34.007 0.10 . 1 . . . . . . . . 4683 1 1036 . 1 1 91 91 GLN HG2 H 1 1.870 0.05 . 1 . . . . . . . . 4683 1 1037 . 1 1 91 91 GLN HG3 H 1 1.870 0.05 . 1 . . . . . . . . 4683 1 1038 . 1 1 91 91 GLN C C 13 174.954 0.10 . 1 . . . . . . . . 4683 1 1039 . 1 1 92 92 THR N N 15 123.475 0.10 . 1 . . . . . . . . 4683 1 1040 . 1 1 92 92 THR H H 1 8.727 0.05 . 1 . . . . . . . . 4683 1 1041 . 1 1 92 92 THR CA C 13 62.088 0.10 . 1 . . . . . . . . 4683 1 1042 . 1 1 92 92 THR HA H 1 4.556 0.05 . 1 . . . . . . . . 4683 1 1043 . 1 1 92 92 THR CB C 13 68.722 0.10 . 1 . . . . . . . . 4683 1 1044 . 1 1 92 92 THR HB H 1 4.415 0.05 . 1 . . . . . . . . 4683 1 1045 . 1 1 92 92 THR CG2 C 13 21.940 0.10 . 1 . . . . . . . . 4683 1 1046 . 1 1 92 92 THR HG21 H 1 1.359 0.05 . 1 . . . . . . . . 4683 1 1047 . 1 1 92 92 THR HG22 H 1 1.359 0.05 . 1 . . . . . . . . 4683 1 1048 . 1 1 92 92 THR HG23 H 1 1.359 0.05 . 1 . . . . . . . . 4683 1 1049 . 1 1 92 92 THR C C 13 177.104 0.10 . 1 . . . . . . . . 4683 1 1050 . 1 1 93 93 ILE N N 15 128.549 0.10 . 1 . . . . . . . . 4683 1 1051 . 1 1 93 93 ILE H H 1 8.521 0.05 . 1 . . . . . . . . 4683 1 1052 . 1 1 93 93 ILE CA C 13 61.574 0.10 . 1 . . . . . . . . 4683 1 1053 . 1 1 93 93 ILE HA H 1 3.849 0.05 . 1 . . . . . . . . 4683 1 1054 . 1 1 93 93 ILE CB C 13 36.516 0.10 . 1 . . . . . . . . 4683 1 1055 . 1 1 93 93 ILE HB H 1 1.948 0.05 . 1 . . . . . . . . 4683 1 1056 . 1 1 93 93 ILE CG1 C 13 28.469 0.10 . 1 . . . . . . . . 4683 1 1057 . 1 1 93 93 ILE HG12 H 1 1.351 0.05 . 1 . . . . . . . . 4683 1 1058 . 1 1 93 93 ILE HG13 H 1 1.527 0.05 . 1 . . . . . . . . 4683 1 1059 . 1 1 93 93 ILE CD1 C 13 10.683 0.10 . 1 . . . . . . . . 4683 1 1060 . 1 1 93 93 ILE HD11 H 1 0.772 0.05 . 1 . . . . . . . . 4683 1 1061 . 1 1 93 93 ILE HD12 H 1 0.772 0.05 . 1 . . . . . . . . 4683 1 1062 . 1 1 93 93 ILE HD13 H 1 0.772 0.05 . 1 . . . . . . . . 4683 1 1063 . 1 1 93 93 ILE CG2 C 13 19.592 0.10 . 1 . . . . . . . . 4683 1 1064 . 1 1 93 93 ILE HG21 H 1 1.096 0.05 . 1 . . . . . . . . 4683 1 1065 . 1 1 93 93 ILE HG22 H 1 1.096 0.05 . 1 . . . . . . . . 4683 1 1066 . 1 1 93 93 ILE HG23 H 1 1.096 0.05 . 1 . . . . . . . . 4683 1 1067 . 1 1 93 93 ILE C C 13 177.591 0.10 . 1 . . . . . . . . 4683 1 1068 . 1 1 94 94 GLU N N 15 118.795 0.10 . 1 . . . . . . . . 4683 1 1069 . 1 1 94 94 GLU H H 1 9.236 0.05 . 1 . . . . . . . . 4683 1 1070 . 1 1 94 94 GLU CA C 13 59.250 0.10 . 1 . . . . . . . . 4683 1 1071 . 1 1 94 94 GLU HA H 1 3.905 0.05 . 1 . . . . . . . . 4683 1 1072 . 1 1 94 94 GLU CB C 13 28.860 0.10 . 1 . . . . . . . . 4683 1 1073 . 1 1 94 94 GLU HB2 H 1 2.473 0.05 . 1 . . . . . . . . 4683 1 1074 . 1 1 94 94 GLU HB3 H 1 2.473 0.05 . 1 . . . . . . . . 4683 1 1075 . 1 1 94 94 GLU CG C 13 37.250 0.10 . 1 . . . . . . . . 4683 1 1076 . 1 1 94 94 GLU HG2 H 1 2.287 0.05 . 1 . . . . . . . . 4683 1 1077 . 1 1 94 94 GLU HG3 H 1 2.287 0.05 . 1 . . . . . . . . 4683 1 1078 . 1 1 94 94 GLU C C 13 175.095 0.10 . 1 . . . . . . . . 4683 1 1079 . 1 1 95 95 LYS N N 15 113.735 0.10 . 1 . . . . . . . . 4683 1 1080 . 1 1 95 95 LYS H H 1 6.881 0.05 . 1 . . . . . . . . 4683 1 1081 . 1 1 95 95 LYS CA C 13 54.654 0.10 . 1 . . . . . . . . 4683 1 1082 . 1 1 95 95 LYS HA H 1 4.730 0.05 . 1 . . . . . . . . 4683 1 1083 . 1 1 95 95 LYS CB C 13 33.125 0.10 . 1 . . . . . . . . 4683 1 1084 . 1 1 95 95 LYS HB2 H 1 1.587 0.05 . 1 . . . . . . . . 4683 1 1085 . 1 1 95 95 LYS HB3 H 1 1.587 0.05 . 1 . . . . . . . . 4683 1 1086 . 1 1 95 95 LYS CG C 13 24.982 0.10 . 1 . . . . . . . . 4683 1 1087 . 1 1 95 95 LYS HG2 H 1 1.448 0.05 . 1 . . . . . . . . 4683 1 1088 . 1 1 95 95 LYS HG3 H 1 1.448 0.05 . 1 . . . . . . . . 4683 1 1089 . 1 1 95 95 LYS CD C 13 28.745 0.10 . 1 . . . . . . . . 4683 1 1090 . 1 1 95 95 LYS HE2 H 1 3.253 0.05 . 1 . . . . . . . . 4683 1 1091 . 1 1 95 95 LYS HE3 H 1 3.253 0.05 . 1 . . . . . . . . 4683 1 1092 . 1 1 95 95 LYS C C 13 175.499 0.10 . 1 . . . . . . . . 4683 1 1093 . 1 1 96 96 VAL N N 15 122.622 0.10 . 1 . . . . . . . . 4683 1 1094 . 1 1 96 96 VAL H H 1 8.049 0.05 . 1 . . . . . . . . 4683 1 1095 . 1 1 96 96 VAL CA C 13 62.092 0.10 . 1 . . . . . . . . 4683 1 1096 . 1 1 96 96 VAL HA H 1 4.582 0.05 . 1 . . . . . . . . 4683 1 1097 . 1 1 96 96 VAL CB C 13 32.438 0.10 . 1 . . . . . . . . 4683 1 1098 . 1 1 96 96 VAL HB H 1 2.529 0.05 . 1 . . . . . . . . 4683 1 1099 . 1 1 96 96 VAL CG2 C 13 22.705 0.10 . 1 . . . . . . . . 4683 1 1100 . 1 1 96 96 VAL HG21 H 1 0.909 0.05 . 1 . . . . . . . . 4683 1 1101 . 1 1 96 96 VAL HG22 H 1 0.909 0.05 . 1 . . . . . . . . 4683 1 1102 . 1 1 96 96 VAL HG23 H 1 0.909 0.05 . 1 . . . . . . . . 4683 1 1103 . 1 1 96 96 VAL CG1 C 13 22.788 0.10 . 1 . . . . . . . . 4683 1 1104 . 1 1 96 96 VAL HG11 H 1 1.220 0.05 . 1 . . . . . . . . 4683 1 1105 . 1 1 96 96 VAL HG12 H 1 1.220 0.05 . 1 . . . . . . . . 4683 1 1106 . 1 1 96 96 VAL HG13 H 1 1.220 0.05 . 1 . . . . . . . . 4683 1 1107 . 1 1 96 96 VAL C C 13 174.768 0.10 . 1 . . . . . . . . 4683 1 1108 . 1 1 97 97 SER N N 15 121.354 0.10 . 1 . . . . . . . . 4683 1 1109 . 1 1 97 97 SER H H 1 9.388 0.05 . 1 . . . . . . . . 4683 1 1110 . 1 1 97 97 SER CA C 13 59.911 0.10 . 1 . . . . . . . . 4683 1 1111 . 1 1 97 97 SER HA H 1 4.089 0.05 . 1 . . . . . . . . 4683 1 1112 . 1 1 97 97 SER CB C 13 62.643 0.10 . 1 . . . . . . . . 4683 1 1113 . 1 1 97 97 SER HB2 H 1 2.699 0.05 . 1 . . . . . . . . 4683 1 1114 . 1 1 97 97 SER HB3 H 1 3.922 0.05 . 1 . . . . . . . . 4683 1 1115 . 1 1 97 97 SER C C 13 177.384 0.10 . 1 . . . . . . . . 4683 1 1116 . 1 1 98 98 PHE N N 15 125.272 0.10 . 1 . . . . . . . . 4683 1 1117 . 1 1 98 98 PHE H H 1 7.831 0.05 . 1 . . . . . . . . 4683 1 1118 . 1 1 98 98 PHE CA C 13 57.223 0.10 . 1 . . . . . . . . 4683 1 1119 . 1 1 98 98 PHE HA H 1 5.779 0.05 . 1 . . . . . . . . 4683 1 1120 . 1 1 98 98 PHE CB C 13 44.899 0.10 . 1 . . . . . . . . 4683 1 1121 . 1 1 98 98 PHE HB2 H 1 2.580 0.05 . 1 . . . . . . . . 4683 1 1122 . 1 1 98 98 PHE HB3 H 1 3.520 0.05 . 1 . . . . . . . . 4683 1 1123 . 1 1 98 98 PHE HD1 H 1 7.174 0.05 . 1 . . . . . . . . 4683 1 1124 . 1 1 98 98 PHE HD2 H 1 7.174 0.05 . 1 . . . . . . . . 4683 1 1125 . 1 1 98 98 PHE C C 13 172.913 0.10 . 1 . . . . . . . . 4683 1 1126 . 1 1 99 99 CYS N N 15 122.492 0.10 . 1 . . . . . . . . 4683 1 1127 . 1 1 99 99 CYS H H 1 8.556 0.05 . 1 . . . . . . . . 4683 1 1128 . 1 1 99 99 CYS CA C 13 56.302 0.10 . 1 . . . . . . . . 4683 1 1129 . 1 1 99 99 CYS HA H 1 5.361 0.05 . 1 . . . . . . . . 4683 1 1130 . 1 1 99 99 CYS CB C 13 32.659 0.10 . 1 . . . . . . . . 4683 1 1131 . 1 1 99 99 CYS HB2 H 1 2.629 0.05 . 1 . . . . . . . . 4683 1 1132 . 1 1 99 99 CYS HB3 H 1 3.597 0.05 . 1 . . . . . . . . 4683 1 1133 . 1 1 99 99 CYS C C 13 169.749 0.10 . 1 . . . . . . . . 4683 1 1134 . 1 1 100 100 ALA N N 15 119.562 0.10 . 1 . . . . . . . . 4683 1 1135 . 1 1 100 100 ALA H H 1 8.564 0.05 . 1 . . . . . . . . 4683 1 1136 . 1 1 100 100 ALA CA C 13 51.201 0.10 . 1 . . . . . . . . 4683 1 1137 . 1 1 100 100 ALA HA H 1 4.802 0.05 . 1 . . . . . . . . 4683 1 1138 . 1 1 100 100 ALA CB C 13 21.960 0.10 . 1 . . . . . . . . 4683 1 1139 . 1 1 100 100 ALA HB1 H 1 1.559 0.05 . 1 . . . . . . . . 4683 1 1140 . 1 1 100 100 ALA HB2 H 1 1.559 0.05 . 1 . . . . . . . . 4683 1 1141 . 1 1 100 100 ALA HB3 H 1 1.559 0.05 . 1 . . . . . . . . 4683 1 1142 . 1 1 100 100 ALA C C 13 174.431 0.10 . 1 . . . . . . . . 4683 1 1143 . 1 1 102 102 ASP CA C 13 53.303 0.10 . 1 . . . . . . . . 4683 1 1144 . 1 1 102 102 ASP HA H 1 4.769 0.05 . 1 . . . . . . . . 4683 1 1145 . 1 1 102 102 ASP CB C 13 44.524 0.10 . 1 . . . . . . . . 4683 1 1146 . 1 1 102 102 ASP HB2 H 1 2.288 0.05 . 1 . . . . . . . . 4683 1 1147 . 1 1 102 102 ASP HB3 H 1 3.290 0.05 . 1 . . . . . . . . 4683 1 1148 . 1 1 102 102 ASP C C 13 177.171 0.10 . 1 . . . . . . . . 4683 1 1149 . 1 1 103 103 ARG N N 15 125.836 0.10 . 1 . . . . . . . . 4683 1 1150 . 1 1 103 103 ARG H H 1 9.021 0.05 . 1 . . . . . . . . 4683 1 1151 . 1 1 103 103 ARG CA C 13 58.251 0.10 . 1 . . . . . . . . 4683 1 1152 . 1 1 103 103 ARG HA H 1 4.100 0.05 . 1 . . . . . . . . 4683 1 1153 . 1 1 103 103 ARG CB C 13 30.249 0.10 . 1 . . . . . . . . 4683 1 1154 . 1 1 103 103 ARG HB2 H 1 1.826 0.05 . 1 . . . . . . . . 4683 1 1155 . 1 1 103 103 ARG HB3 H 1 1.826 0.05 . 1 . . . . . . . . 4683 1 1156 . 1 1 103 103 ARG CG C 13 26.761 0.10 . 1 . . . . . . . . 4683 1 1157 . 1 1 103 103 ARG HG2 H 1 1.759 0.05 . 1 . . . . . . . . 4683 1 1158 . 1 1 103 103 ARG HG3 H 1 1.759 0.05 . 1 . . . . . . . . 4683 1 1159 . 1 1 103 103 ARG CD C 13 43.327 0.10 . 1 . . . . . . . . 4683 1 1160 . 1 1 103 103 ARG HD2 H 1 3.128 0.05 . 1 . . . . . . . . 4683 1 1161 . 1 1 103 103 ARG HD3 H 1 3.260 0.05 . 1 . . . . . . . . 4683 1 1162 . 1 1 103 103 ARG C C 13 176.885 0.10 . 1 . . . . . . . . 4683 1 1163 . 1 1 104 104 ASN N N 15 115.061 0.10 . 1 . . . . . . . . 4683 1 1164 . 1 1 104 104 ASN H H 1 8.698 0.05 . 1 . . . . . . . . 4683 1 1165 . 1 1 104 104 ASN CA C 13 53.522 0.10 . 1 . . . . . . . . 4683 1 1166 . 1 1 104 104 ASN HA H 1 4.712 0.05 . 1 . . . . . . . . 4683 1 1167 . 1 1 104 104 ASN CB C 13 39.515 0.10 . 1 . . . . . . . . 4683 1 1168 . 1 1 104 104 ASN HB2 H 1 2.673 0.05 . 1 . . . . . . . . 4683 1 1169 . 1 1 104 104 ASN HB3 H 1 2.808 0.05 . 1 . . . . . . . . 4683 1 1170 . 1 1 104 104 ASN ND2 N 15 115.823 0.10 . 1 . . . . . . . . 4683 1 1171 . 1 1 104 104 ASN HD21 H 1 8.139 0.05 . 1 . . . . . . . . 4683 1 1172 . 1 1 104 104 ASN HD22 H 1 7.101 0.05 . 1 . . . . . . . . 4683 1 1173 . 1 1 104 104 ASN C C 13 174.665 0.10 . 1 . . . . . . . . 4683 1 1174 . 1 1 105 105 HIS N N 15 120.772 0.10 . 1 . . . . . . . . 4683 1 1175 . 1 1 105 105 HIS H H 1 7.759 0.05 . 1 . . . . . . . . 4683 1 1176 . 1 1 105 105 HIS CA C 13 56.672 0.10 . 1 . . . . . . . . 4683 1 1177 . 1 1 105 105 HIS HA H 1 4.551 0.05 . 1 . . . . . . . . 4683 1 1178 . 1 1 105 105 HIS CB C 13 32.126 0.10 . 1 . . . . . . . . 4683 1 1179 . 1 1 105 105 HIS HB2 H 1 2.743 0.05 . 1 . . . . . . . . 4683 1 1180 . 1 1 105 105 HIS HB3 H 1 2.743 0.05 . 1 . . . . . . . . 4683 1 1181 . 1 1 105 105 HIS HD2 H 1 7.018 0.05 . 1 . . . . . . . . 4683 1 1182 . 1 1 105 105 HIS C C 13 175.667 0.10 . 1 . . . . . . . . 4683 1 1183 . 1 1 106 106 GLU N N 15 128.191 0.10 . 1 . . . . . . . . 4683 1 1184 . 1 1 106 106 GLU H H 1 9.117 0.05 . 1 . . . . . . . . 4683 1 1185 . 1 1 106 106 GLU CA C 13 59.278 0.10 . 1 . . . . . . . . 4683 1 1186 . 1 1 106 106 GLU HA H 1 4.421 0.05 . 1 . . . . . . . . 4683 1 1187 . 1 1 106 106 GLU CB C 13 29.757 0.10 . 1 . . . . . . . . 4683 1 1188 . 1 1 106 106 GLU HB2 H 1 2.199 0.05 . 1 . . . . . . . . 4683 1 1189 . 1 1 106 106 GLU HB3 H 1 2.199 0.05 . 1 . . . . . . . . 4683 1 1190 . 1 1 106 106 GLU CG C 13 35.930 0.10 . 1 . . . . . . . . 4683 1 1191 . 1 1 106 106 GLU HG2 H 1 2.374 0.05 . 1 . . . . . . . . 4683 1 1192 . 1 1 106 106 GLU HG3 H 1 2.374 0.05 . 1 . . . . . . . . 4683 1 1193 . 1 1 106 106 GLU C C 13 177.313 0.10 . 1 . . . . . . . . 4683 1 1194 . 1 1 107 107 ARG N N 15 118.863 0.10 . 1 . . . . . . . . 4683 1 1195 . 1 1 107 107 ARG H H 1 9.940 0.05 . 1 . . . . . . . . 4683 1 1196 . 1 1 107 107 ARG CA C 13 55.610 0.10 . 1 . . . . . . . . 4683 1 1197 . 1 1 107 107 ARG HA H 1 4.721 0.05 . 1 . . . . . . . . 4683 1 1198 . 1 1 107 107 ARG CB C 13 29.791 0.10 . 1 . . . . . . . . 4683 1 1199 . 1 1 107 107 ARG HB2 H 1 1.841 0.05 . 1 . . . . . . . . 4683 1 1200 . 1 1 107 107 ARG HB3 H 1 1.841 0.05 . 1 . . . . . . . . 4683 1 1201 . 1 1 107 107 ARG CG C 13 28.281 0.10 . 1 . . . . . . . . 4683 1 1202 . 1 1 107 107 ARG HG2 H 1 1.787 0.05 . 1 . . . . . . . . 4683 1 1203 . 1 1 107 107 ARG HG3 H 1 1.787 0.05 . 1 . . . . . . . . 4683 1 1204 . 1 1 107 107 ARG CD C 13 42.895 0.10 . 1 . . . . . . . . 4683 1 1205 . 1 1 107 107 ARG HD2 H 1 3.189 0.05 . 1 . . . . . . . . 4683 1 1206 . 1 1 107 107 ARG HD3 H 1 3.189 0.05 . 1 . . . . . . . . 4683 1 1207 . 1 1 107 107 ARG C C 13 176.300 0.10 . 1 . . . . . . . . 4683 1 1208 . 1 1 108 108 GLY N N 15 107.274 0.10 . 1 . . . . . . . . 4683 1 1209 . 1 1 108 108 GLY H H 1 8.441 0.05 . 1 . . . . . . . . 4683 1 1210 . 1 1 108 108 GLY CA C 13 45.941 0.10 . 1 . . . . . . . . 4683 1 1211 . 1 1 108 108 GLY HA2 H 1 3.580 0.05 . 1 . . . . . . . . 4683 1 1212 . 1 1 108 108 GLY HA3 H 1 4.868 0.05 . 1 . . . . . . . . 4683 1 1213 . 1 1 108 108 GLY C C 13 172.731 0.10 . 1 . . . . . . . . 4683 1 1214 . 1 1 109 109 PHE N N 15 123.929 0.10 . 1 . . . . . . . . 4683 1 1215 . 1 1 109 109 PHE H H 1 8.788 0.05 . 1 . . . . . . . . 4683 1 1216 . 1 1 109 109 PHE CA C 13 57.280 0.10 . 1 . . . . . . . . 4683 1 1217 . 1 1 109 109 PHE HA H 1 5.103 0.05 . 1 . . . . . . . . 4683 1 1218 . 1 1 109 109 PHE CB C 13 43.814 0.10 . 1 . . . . . . . . 4683 1 1219 . 1 1 109 109 PHE HB2 H 1 2.385 0.05 . 1 . . . . . . . . 4683 1 1220 . 1 1 109 109 PHE HB3 H 1 3.405 0.05 . 1 . . . . . . . . 4683 1 1221 . 1 1 109 109 PHE HD1 H 1 6.779 0.05 . 1 . . . . . . . . 4683 1 1222 . 1 1 109 109 PHE HE1 H 1 6.626 0.05 . 1 . . . . . . . . 4683 1 1223 . 1 1 109 109 PHE HE2 H 1 6.626 0.05 . 1 . . . . . . . . 4683 1 1224 . 1 1 109 109 PHE HD2 H 1 6.779 0.05 . 1 . . . . . . . . 4683 1 1225 . 1 1 109 109 PHE C C 13 171.507 0.10 . 1 . . . . . . . . 4683 1 1226 . 1 1 110 110 SER N N 15 120.387 0.10 . 1 . . . . . . . . 4683 1 1227 . 1 1 110 110 SER H H 1 7.687 0.05 . 1 . . . . . . . . 4683 1 1228 . 1 1 110 110 SER CA C 13 57.497 0.10 . 1 . . . . . . . . 4683 1 1229 . 1 1 110 110 SER HA H 1 5.337 0.05 . 1 . . . . . . . . 4683 1 1230 . 1 1 110 110 SER CB C 13 67.348 0.10 . 1 . . . . . . . . 4683 1 1231 . 1 1 110 110 SER HB2 H 1 3.579 0.05 . 1 . . . . . . . . 4683 1 1232 . 1 1 110 110 SER HB3 H 1 3.663 0.05 . 1 . . . . . . . . 4683 1 1233 . 1 1 110 110 SER C C 13 171.516 0.10 . 1 . . . . . . . . 4683 1 1234 . 1 1 111 111 TYR N N 15 112.119 0.10 . 1 . . . . . . . . 4683 1 1235 . 1 1 111 111 TYR H H 1 8.145 0.05 . 1 . . . . . . . . 4683 1 1236 . 1 1 111 111 TYR CA C 13 55.978 0.10 . 1 . . . . . . . . 4683 1 1237 . 1 1 111 111 TYR HA H 1 5.410 0.05 . 1 . . . . . . . . 4683 1 1238 . 1 1 111 111 TYR CB C 13 42.105 0.10 . 1 . . . . . . . . 4683 1 1239 . 1 1 111 111 TYR HB2 H 1 2.625 0.05 . 1 . . . . . . . . 4683 1 1240 . 1 1 111 111 TYR HB3 H 1 3.454 0.05 . 1 . . . . . . . . 4683 1 1241 . 1 1 111 111 TYR HD1 H 1 6.884 0.05 . 1 . . . . . . . . 4683 1 1242 . 1 1 111 111 TYR HE1 H 1 6.638 0.05 . 1 . . . . . . . . 4683 1 1243 . 1 1 111 111 TYR HE2 H 1 6.638 0.05 . 1 . . . . . . . . 4683 1 1244 . 1 1 111 111 TYR HD2 H 1 6.884 0.05 . 1 . . . . . . . . 4683 1 1245 . 1 1 111 111 TYR C C 13 172.311 0.10 . 1 . . . . . . . . 4683 1 1246 . 1 1 112 112 ILE N N 15 120.896 0.10 . 1 . . . . . . . . 4683 1 1247 . 1 1 112 112 ILE H H 1 9.157 0.05 . 1 . . . . . . . . 4683 1 1248 . 1 1 112 112 ILE CA C 13 59.998 0.10 . 1 . . . . . . . . 4683 1 1249 . 1 1 112 112 ILE HA H 1 5.382 0.05 . 1 . . . . . . . . 4683 1 1250 . 1 1 112 112 ILE CB C 13 40.740 0.10 . 1 . . . . . . . . 4683 1 1251 . 1 1 112 112 ILE HB H 1 1.600 0.05 . 1 . . . . . . . . 4683 1 1252 . 1 1 112 112 ILE CG1 C 13 28.308 0.10 . 1 . . . . . . . . 4683 1 1253 . 1 1 112 112 ILE HG12 H 1 1.633 0.05 . 1 . . . . . . . . 4683 1 1254 . 1 1 112 112 ILE HG13 H 1 1.702 0.05 . 1 . . . . . . . . 4683 1 1255 . 1 1 112 112 ILE CD1 C 13 13.669 0.10 . 1 . . . . . . . . 4683 1 1256 . 1 1 112 112 ILE HD11 H 1 0.572 0.05 . 1 . . . . . . . . 4683 1 1257 . 1 1 112 112 ILE HD12 H 1 0.572 0.05 . 1 . . . . . . . . 4683 1 1258 . 1 1 112 112 ILE HD13 H 1 0.572 0.05 . 1 . . . . . . . . 4683 1 1259 . 1 1 112 112 ILE CG2 C 13 18.307 0.10 . 1 . . . . . . . . 4683 1 1260 . 1 1 112 112 ILE HG21 H 1 0.936 0.05 . 1 . . . . . . . . 4683 1 1261 . 1 1 112 112 ILE HG22 H 1 0.936 0.05 . 1 . . . . . . . . 4683 1 1262 . 1 1 112 112 ILE HG23 H 1 0.936 0.05 . 1 . . . . . . . . 4683 1 1263 . 1 1 112 112 ILE C C 13 175.105 0.10 . 1 . . . . . . . . 4683 1 1264 . 1 1 113 113 CYS N N 15 122.230 0.10 . 1 . . . . . . . . 4683 1 1265 . 1 1 113 113 CYS H H 1 9.854 0.05 . 1 . . . . . . . . 4683 1 1266 . 1 1 113 113 CYS CA C 13 53.917 0.10 . 1 . . . . . . . . 4683 1 1267 . 1 1 113 113 CYS HA H 1 6.189 0.05 . 1 . . . . . . . . 4683 1 1268 . 1 1 113 113 CYS CB C 13 33.365 0.10 . 1 . . . . . . . . 4683 1 1269 . 1 1 113 113 CYS HB2 H 1 3.291 0.05 . 1 . . . . . . . . 4683 1 1270 . 1 1 113 113 CYS HB3 H 1 2.943 0.05 . 1 . . . . . . . . 4683 1 1271 . 1 1 113 113 CYS C C 13 172.435 0.10 . 1 . . . . . . . . 4683 1 1272 . 1 1 114 114 ARG N N 15 120.970 0.10 . 1 . . . . . . . . 4683 1 1273 . 1 1 114 114 ARG H H 1 8.674 0.05 . 1 . . . . . . . . 4683 1 1274 . 1 1 114 114 ARG CA C 13 53.999 0.10 . 1 . . . . . . . . 4683 1 1275 . 1 1 114 114 ARG HA H 1 4.606 0.05 . 1 . . . . . . . . 4683 1 1276 . 1 1 114 114 ARG CB C 13 31.165 0.10 . 1 . . . . . . . . 4683 1 1277 . 1 1 114 114 ARG HB2 H 1 1.639 0.05 . 1 . . . . . . . . 4683 1 1278 . 1 1 114 114 ARG HB3 H 1 1.639 0.05 . 1 . . . . . . . . 4683 1 1279 . 1 1 114 114 ARG CG C 13 25.801 0.10 . 1 . . . . . . . . 4683 1 1280 . 1 1 114 114 ARG HG2 H 1 1.921 0.05 . 1 . . . . . . . . 4683 1 1281 . 1 1 114 114 ARG HG3 H 1 1.921 0.05 . 1 . . . . . . . . 4683 1 1282 . 1 1 114 114 ARG CD C 13 41.904 0.10 . 1 . . . . . . . . 4683 1 1283 . 1 1 114 114 ARG C C 13 175.282 0.10 . 1 . . . . . . . . 4683 1 1284 . 1 1 115 115 ASP N N 15 128.692 0.10 . 1 . . . . . . . . 4683 1 1285 . 1 1 115 115 ASP H H 1 8.793 0.05 . 1 . . . . . . . . 4683 1 1286 . 1 1 115 115 ASP CA C 13 54.412 0.10 . 1 . . . . . . . . 4683 1 1287 . 1 1 115 115 ASP HA H 1 4.723 0.05 . 1 . . . . . . . . 4683 1 1288 . 1 1 115 115 ASP CB C 13 43.103 0.10 . 1 . . . . . . . . 4683 1 1289 . 1 1 115 115 ASP HB2 H 1 2.583 0.05 . 1 . . . . . . . . 4683 1 1290 . 1 1 115 115 ASP HB3 H 1 2.809 0.05 . 1 . . . . . . . . 4683 1 1291 . 1 1 115 115 ASP C C 13 177.276 0.10 . 1 . . . . . . . . 4683 1 1292 . 1 1 116 116 GLY N N 15 114.150 0.10 . 1 . . . . . . . . 4683 1 1293 . 1 1 116 116 GLY H H 1 8.708 0.05 . 1 . . . . . . . . 4683 1 1294 . 1 1 116 116 GLY CA C 13 46.935 0.10 . 1 . . . . . . . . 4683 1 1295 . 1 1 116 116 GLY HA2 H 1 3.716 0.05 . 1 . . . . . . . . 4683 1 1296 . 1 1 116 116 GLY HA3 H 1 3.851 0.05 . 1 . . . . . . . . 4683 1 1297 . 1 1 116 116 GLY C C 13 174.856 0.10 . 1 . . . . . . . . 4683 1 1298 . 1 1 117 117 THR N N 15 115.270 0.10 . 1 . . . . . . . . 4683 1 1299 . 1 1 117 117 THR H H 1 8.310 0.05 . 1 . . . . . . . . 4683 1 1300 . 1 1 117 117 THR CA C 13 64.491 0.10 . 1 . . . . . . . . 4683 1 1301 . 1 1 117 117 THR HA H 1 4.214 0.05 . 1 . . . . . . . . 4683 1 1302 . 1 1 117 117 THR CB C 13 68.687 0.10 . 1 . . . . . . . . 4683 1 1303 . 1 1 117 117 THR HB H 1 4.326 0.05 . 1 . . . . . . . . 4683 1 1304 . 1 1 117 117 THR CG2 C 13 21.673 0.10 . 1 . . . . . . . . 4683 1 1305 . 1 1 117 117 THR HG21 H 1 1.228 0.05 . 1 . . . . . . . . 4683 1 1306 . 1 1 117 117 THR HG22 H 1 1.228 0.05 . 1 . . . . . . . . 4683 1 1307 . 1 1 117 117 THR HG23 H 1 1.228 0.05 . 1 . . . . . . . . 4683 1 1308 . 1 1 117 117 THR C C 13 175.759 0.10 . 1 . . . . . . . . 4683 1 1309 . 1 1 118 118 THR N N 15 110.633 0.10 . 1 . . . . . . . . 4683 1 1310 . 1 1 118 118 THR H H 1 8.082 0.05 . 1 . . . . . . . . 4683 1 1311 . 1 1 118 118 THR CA C 13 61.811 0.10 . 1 . . . . . . . . 4683 1 1312 . 1 1 118 118 THR HA H 1 4.310 0.05 . 1 . . . . . . . . 4683 1 1313 . 1 1 118 118 THR CB C 13 70.917 0.10 . 1 . . . . . . . . 4683 1 1314 . 1 1 118 118 THR HB H 1 4.266 0.05 . 1 . . . . . . . . 4683 1 1315 . 1 1 118 118 THR CG2 C 13 21.278 0.10 . 1 . . . . . . . . 4683 1 1316 . 1 1 118 118 THR HG21 H 1 1.209 0.05 . 1 . . . . . . . . 4683 1 1317 . 1 1 118 118 THR HG22 H 1 1.209 0.05 . 1 . . . . . . . . 4683 1 1318 . 1 1 118 118 THR HG23 H 1 1.209 0.05 . 1 . . . . . . . . 4683 1 1319 . 1 1 118 118 THR C C 13 174.796 0.10 . 1 . . . . . . . . 4683 1 1320 . 1 1 119 119 ARG N N 15 115.848 0.10 . 1 . . . . . . . . 4683 1 1321 . 1 1 119 119 ARG H H 1 7.793 0.05 . 1 . . . . . . . . 4683 1 1322 . 1 1 119 119 ARG CA C 13 56.890 0.10 . 1 . . . . . . . . 4683 1 1323 . 1 1 119 119 ARG HA H 1 3.841 0.05 . 1 . . . . . . . . 4683 1 1324 . 1 1 119 119 ARG CB C 13 27.032 0.10 . 1 . . . . . . . . 4683 1 1325 . 1 1 119 119 ARG HB2 H 1 1.844 0.05 . 1 . . . . . . . . 4683 1 1326 . 1 1 119 119 ARG HB3 H 1 1.844 0.05 . 1 . . . . . . . . 4683 1 1327 . 1 1 119 119 ARG CG C 13 27.277 0.10 . 1 . . . . . . . . 4683 1 1328 . 1 1 119 119 ARG HG2 H 1 1.420 0.05 . 1 . . . . . . . . 4683 1 1329 . 1 1 119 119 ARG HG3 H 1 1.226 0.05 . 1 . . . . . . . . 4683 1 1330 . 1 1 119 119 ARG CD C 13 42.836 0.10 . 1 . . . . . . . . 4683 1 1331 . 1 1 119 119 ARG HD2 H 1 2.923 0.05 . 1 . . . . . . . . 4683 1 1332 . 1 1 119 119 ARG HD3 H 1 2.923 0.05 . 1 . . . . . . . . 4683 1 1333 . 1 1 119 119 ARG C C 13 174.596 0.10 . 1 . . . . . . . . 4683 1 1334 . 1 1 120 120 ARG N N 15 118.856 0.10 . 1 . . . . . . . . 4683 1 1335 . 1 1 120 120 ARG H H 1 7.398 0.05 . 1 . . . . . . . . 4683 1 1336 . 1 1 120 120 ARG CA C 13 54.980 0.10 . 1 . . . . . . . . 4683 1 1337 . 1 1 120 120 ARG HA H 1 4.284 0.05 . 1 . . . . . . . . 4683 1 1338 . 1 1 120 120 ARG CB C 13 32.463 0.10 . 1 . . . . . . . . 4683 1 1339 . 1 1 120 120 ARG HB2 H 1 1.451 0.05 . 1 . . . . . . . . 4683 1 1340 . 1 1 120 120 ARG HB3 H 1 1.451 0.05 . 1 . . . . . . . . 4683 1 1341 . 1 1 120 120 ARG CG C 13 27.365 0.10 . 1 . . . . . . . . 4683 1 1342 . 1 1 120 120 ARG HG2 H 1 1.624 0.05 . 1 . . . . . . . . 4683 1 1343 . 1 1 120 120 ARG HG3 H 1 1.809 0.05 . 1 . . . . . . . . 4683 1 1344 . 1 1 120 120 ARG CD C 13 43.463 0.10 . 1 . . . . . . . . 4683 1 1345 . 1 1 120 120 ARG HD2 H 1 2.966 0.05 . 1 . . . . . . . . 4683 1 1346 . 1 1 120 120 ARG HD3 H 1 3.164 0.05 . 1 . . . . . . . . 4683 1 1347 . 1 1 120 120 ARG C C 13 175.689 0.10 . 1 . . . . . . . . 4683 1 1348 . 1 1 121 121 TRP N N 15 123.329 0.10 . 1 . . . . . . . . 4683 1 1349 . 1 1 121 121 TRP H H 1 8.583 0.05 . 1 . . . . . . . . 4683 1 1350 . 1 1 121 121 TRP CA C 13 55.686 0.10 . 1 . . . . . . . . 4683 1 1351 . 1 1 121 121 TRP HA H 1 5.373 0.05 . 1 . . . . . . . . 4683 1 1352 . 1 1 121 121 TRP CB C 13 29.479 0.10 . 1 . . . . . . . . 4683 1 1353 . 1 1 121 121 TRP HB2 H 1 3.235 0.05 . 1 . . . . . . . . 4683 1 1354 . 1 1 121 121 TRP HB3 H 1 2.670 0.05 . 1 . . . . . . . . 4683 1 1355 . 1 1 121 121 TRP HD1 H 1 6.896 0.05 . 1 . . . . . . . . 4683 1 1356 . 1 1 121 121 TRP HE3 H 1 6.893 0.05 . 1 . . . . . . . . 4683 1 1357 . 1 1 121 121 TRP C C 13 175.492 0.10 . 1 . . . . . . . . 4683 1 1358 . 1 1 122 122 MET N N 15 120.150 0.10 . 1 . . . . . . . . 4683 1 1359 . 1 1 122 122 MET H H 1 9.259 0.05 . 1 . . . . . . . . 4683 1 1360 . 1 1 122 122 MET CA C 13 51.970 0.10 . 1 . . . . . . . . 4683 1 1361 . 1 1 122 122 MET HA H 1 5.280 0.05 . 1 . . . . . . . . 4683 1 1362 . 1 1 122 122 MET CB C 13 34.407 0.10 . 1 . . . . . . . . 4683 1 1363 . 1 1 122 122 MET HB2 H 1 2.465 0.05 . 1 . . . . . . . . 4683 1 1364 . 1 1 122 122 MET HB3 H 1 2.199 0.05 . 1 . . . . . . . . 4683 1 1365 . 1 1 122 122 MET CG C 13 31.879 0.10 . 1 . . . . . . . . 4683 1 1366 . 1 1 122 122 MET HG2 H 1 2.754 0.05 . 1 . . . . . . . . 4683 1 1367 . 1 1 122 122 MET HG3 H 1 2.280 0.05 . 1 . . . . . . . . 4683 1 1368 . 1 1 122 122 MET CE C 13 16.905 0.10 . 1 . . . . . . . . 4683 1 1369 . 1 1 122 122 MET HE1 H 1 1.817 0.05 . 1 . . . . . . . . 4683 1 1370 . 1 1 122 122 MET HE2 H 1 1.817 0.05 . 1 . . . . . . . . 4683 1 1371 . 1 1 122 122 MET HE3 H 1 1.817 0.05 . 1 . . . . . . . . 4683 1 1372 . 1 1 122 122 MET C C 13 174.326 0.10 . 1 . . . . . . . . 4683 1 1373 . 1 1 123 123 CYS N N 15 123.960 0.10 . 1 . . . . . . . . 4683 1 1374 . 1 1 123 123 CYS H H 1 9.265 0.05 . 1 . . . . . . . . 4683 1 1375 . 1 1 123 123 CYS CA C 13 56.337 0.10 . 1 . . . . . . . . 4683 1 1376 . 1 1 123 123 CYS HA H 1 5.542 0.05 . 1 . . . . . . . . 4683 1 1377 . 1 1 123 123 CYS CB C 13 29.109 0.10 . 1 . . . . . . . . 4683 1 1378 . 1 1 123 123 CYS HB2 H 1 2.418 0.05 . 1 . . . . . . . . 4683 1 1379 . 1 1 123 123 CYS HB3 H 1 2.506 0.05 . 1 . . . . . . . . 4683 1 1380 . 1 1 123 123 CYS C C 13 173.763 0.10 . 1 . . . . . . . . 4683 1 1381 . 1 1 124 124 HIS N N 15 129.696 0.10 . 1 . . . . . . . . 4683 1 1382 . 1 1 124 124 HIS H H 1 8.786 0.05 . 1 . . . . . . . . 4683 1 1383 . 1 1 124 124 HIS CA C 13 54.879 0.10 . 1 . . . . . . . . 4683 1 1384 . 1 1 124 124 HIS HA H 1 4.629 0.05 . 1 . . . . . . . . 4683 1 1385 . 1 1 124 124 HIS CB C 13 33.022 0.10 . 1 . . . . . . . . 4683 1 1386 . 1 1 124 124 HIS HB2 H 1 1.805 0.05 . 1 . . . . . . . . 4683 1 1387 . 1 1 124 124 HIS HB3 H 1 2.607 0.05 . 1 . . . . . . . . 4683 1 1388 . 1 1 124 124 HIS HD2 H 1 6.779 0.05 . 1 . . . . . . . . 4683 1 1389 . 1 1 124 124 HIS C C 13 174.360 0.10 . 1 . . . . . . . . 4683 1 1390 . 1 1 125 125 GLY N N 15 106.134 0.10 . 1 . . . . . . . . 4683 1 1391 . 1 1 125 125 GLY H H 1 7.989 0.05 . 1 . . . . . . . . 4683 1 1392 . 1 1 125 125 GLY CA C 13 44.523 0.10 . 1 . . . . . . . . 4683 1 1393 . 1 1 125 125 GLY HA2 H 1 3.116 0.05 . 1 . . . . . . . . 4683 1 1394 . 1 1 125 125 GLY HA3 H 1 4.886 0.05 . 1 . . . . . . . . 4683 1 1395 . 1 1 125 125 GLY C C 13 171.200 0.10 . 1 . . . . . . . . 4683 1 1396 . 1 1 126 126 PHE N N 15 118.020 0.10 . 1 . . . . . . . . 4683 1 1397 . 1 1 126 126 PHE H H 1 9.136 0.05 . 1 . . . . . . . . 4683 1 1398 . 1 1 126 126 PHE CA C 13 56.635 0.10 . 1 . . . . . . . . 4683 1 1399 . 1 1 126 126 PHE HA H 1 5.435 0.05 . 1 . . . . . . . . 4683 1 1400 . 1 1 126 126 PHE CB C 13 43.863 0.10 . 1 . . . . . . . . 4683 1 1401 . 1 1 126 126 PHE HB2 H 1 2.859 0.05 . 1 . . . . . . . . 4683 1 1402 . 1 1 126 126 PHE HB3 H 1 3.166 0.05 . 1 . . . . . . . . 4683 1 1403 . 1 1 126 126 PHE HD1 H 1 7.305 0.05 . 1 . . . . . . . . 4683 1 1404 . 1 1 126 126 PHE HD2 H 1 7.305 0.05 . 1 . . . . . . . . 4683 1 1405 . 1 1 126 126 PHE C C 13 174.640 0.10 . 1 . . . . . . . . 4683 1 1406 . 1 1 127 127 LEU N N 15 119.407 0.10 . 1 . . . . . . . . 4683 1 1407 . 1 1 127 127 LEU H H 1 8.870 0.05 . 1 . . . . . . . . 4683 1 1408 . 1 1 127 127 LEU CA C 13 53.475 0.10 . 1 . . . . . . . . 4683 1 1409 . 1 1 127 127 LEU HA H 1 4.928 0.05 . 1 . . . . . . . . 4683 1 1410 . 1 1 127 127 LEU CB C 13 43.923 0.10 . 1 . . . . . . . . 4683 1 1411 . 1 1 127 127 LEU HB2 H 1 1.324 0.05 . 1 . . . . . . . . 4683 1 1412 . 1 1 127 127 LEU HB3 H 1 1.579 0.05 . 1 . . . . . . . . 4683 1 1413 . 1 1 127 127 LEU CG C 13 22.699 0.10 . 1 . . . . . . . . 4683 1 1414 . 1 1 127 127 LEU HG H 1 1.520 0.05 . 1 . . . . . . . . 4683 1 1415 . 1 1 127 127 LEU CD1 C 13 25.382 0.10 . 1 . . . . . . . . 4683 1 1416 . 1 1 127 127 LEU HD11 H 1 0.777 0.05 . 1 . . . . . . . . 4683 1 1417 . 1 1 127 127 LEU HD12 H 1 0.777 0.05 . 1 . . . . . . . . 4683 1 1418 . 1 1 127 127 LEU HD13 H 1 0.777 0.05 . 1 . . . . . . . . 4683 1 1419 . 1 1 127 127 LEU CD2 C 13 22.699 0.10 . 1 . . . . . . . . 4683 1 1420 . 1 1 127 127 LEU HD21 H 1 0.518 0.05 . 1 . . . . . . . . 4683 1 1421 . 1 1 127 127 LEU HD22 H 1 0.518 0.05 . 1 . . . . . . . . 4683 1 1422 . 1 1 127 127 LEU HD23 H 1 0.518 0.05 . 1 . . . . . . . . 4683 1 1423 . 1 1 127 127 LEU C C 13 176.512 0.10 . 1 . . . . . . . . 4683 1 1424 . 1 1 128 128 ALA N N 15 129.243 0.10 . 1 . . . . . . . . 4683 1 1425 . 1 1 128 128 ALA H H 1 9.686 0.05 . 1 . . . . . . . . 4683 1 1426 . 1 1 128 128 ALA CA C 13 52.938 0.10 . 1 . . . . . . . . 4683 1 1427 . 1 1 128 128 ALA HA H 1 4.579 0.05 . 1 . . . . . . . . 4683 1 1428 . 1 1 128 128 ALA CB C 13 18.803 0.10 . 1 . . . . . . . . 4683 1 1429 . 1 1 128 128 ALA HB1 H 1 1.600 0.05 . 1 . . . . . . . . 4683 1 1430 . 1 1 128 128 ALA HB2 H 1 1.600 0.05 . 1 . . . . . . . . 4683 1 1431 . 1 1 128 128 ALA HB3 H 1 1.600 0.05 . 1 . . . . . . . . 4683 1 1432 . 1 1 128 128 ALA C C 13 177.609 0.10 . 1 . . . . . . . . 4683 1 1433 . 1 1 129 129 CYS N N 15 120.081 0.10 . 1 . . . . . . . . 4683 1 1434 . 1 1 129 129 CYS H H 1 8.258 0.05 . 1 . . . . . . . . 4683 1 1435 . 1 1 129 129 CYS CA C 13 61.879 0.10 . 1 . . . . . . . . 4683 1 1436 . 1 1 129 129 CYS HA H 1 4.234 0.05 . 1 . . . . . . . . 4683 1 1437 . 1 1 129 129 CYS CB C 13 28.124 0.10 . 1 . . . . . . . . 4683 1 1438 . 1 1 129 129 CYS HB2 H 1 2.630 0.05 . 1 . . . . . . . . 4683 1 1439 . 1 1 129 129 CYS HB3 H 1 3.185 0.05 . 1 . . . . . . . . 4683 1 1440 . 1 1 129 129 CYS C C 13 175.880 0.10 . 1 . . . . . . . . 4683 1 1441 . 1 1 130 130 LYS N N 15 116.618 0.10 . 1 . . . . . . . . 4683 1 1442 . 1 1 130 130 LYS H H 1 9.363 0.05 . 1 . . . . . . . . 4683 1 1443 . 1 1 130 130 LYS CA C 13 55.792 0.10 . 1 . . . . . . . . 4683 1 1444 . 1 1 130 130 LYS HA H 1 4.568 0.05 . 1 . . . . . . . . 4683 1 1445 . 1 1 130 130 LYS CB C 13 34.725 0.10 . 1 . . . . . . . . 4683 1 1446 . 1 1 130 130 LYS HB2 H 1 1.896 0.05 . 1 . . . . . . . . 4683 1 1447 . 1 1 130 130 LYS HB3 H 1 1.896 0.05 . 1 . . . . . . . . 4683 1 1448 . 1 1 130 130 LYS CG C 13 24.270 0.10 . 1 . . . . . . . . 4683 1 1449 . 1 1 130 130 LYS HG2 H 1 1.372 0.05 . 1 . . . . . . . . 4683 1 1450 . 1 1 130 130 LYS HG3 H 1 1.724 0.05 . 1 . . . . . . . . 4683 1 1451 . 1 1 130 130 LYS CD C 13 29.077 0.10 . 1 . . . . . . . . 4683 1 1452 . 1 1 130 130 LYS HD2 H 1 1.740 0.05 . 1 . . . . . . . . 4683 1 1453 . 1 1 130 130 LYS HD3 H 1 1.740 0.05 . 1 . . . . . . . . 4683 1 1454 . 1 1 130 130 LYS CE C 13 42.011 0.10 . 1 . . . . . . . . 4683 1 1455 . 1 1 130 130 LYS HE2 H 1 3.039 0.05 . 1 . . . . . . . . 4683 1 1456 . 1 1 130 130 LYS HE3 H 1 3.039 0.05 . 1 . . . . . . . . 4683 1 1457 . 1 1 130 130 LYS C C 13 174.288 0.10 . 1 . . . . . . . . 4683 1 1458 . 1 1 131 131 ASP N N 15 118.582 0.10 . 1 . . . . . . . . 4683 1 1459 . 1 1 131 131 ASP H H 1 7.043 0.05 . 1 . . . . . . . . 4683 1 1460 . 1 1 131 131 ASP CA C 13 53.207 0.10 . 1 . . . . . . . . 4683 1 1461 . 1 1 131 131 ASP HA H 1 5.020 0.05 . 1 . . . . . . . . 4683 1 1462 . 1 1 131 131 ASP CB C 13 46.244 0.10 . 1 . . . . . . . . 4683 1 1463 . 1 1 131 131 ASP HB2 H 1 2.078 0.05 . 1 . . . . . . . . 4683 1 1464 . 1 1 131 131 ASP HB3 H 1 2.400 0.05 . 1 . . . . . . . . 4683 1 1465 . 1 1 131 131 ASP C C 13 172.764 0.10 . 1 . . . . . . . . 4683 1 1466 . 1 1 132 132 SER N N 15 111.711 0.10 . 1 . . . . . . . . 4683 1 1467 . 1 1 132 132 SER H H 1 8.299 0.05 . 1 . . . . . . . . 4683 1 1468 . 1 1 132 132 SER CA C 13 56.726 0.10 . 1 . . . . . . . . 4683 1 1469 . 1 1 132 132 SER HA H 1 4.589 0.05 . 1 . . . . . . . . 4683 1 1470 . 1 1 132 132 SER CB C 13 64.862 0.10 . 1 . . . . . . . . 4683 1 1471 . 1 1 132 132 SER HB2 H 1 4.048 0.05 . 1 . . . . . . . . 4683 1 1472 . 1 1 132 132 SER HB3 H 1 4.444 0.05 . 1 . . . . . . . . 4683 1 1473 . 1 1 132 132 SER C C 13 176.080 0.10 . 1 . . . . . . . . 4683 1 1474 . 1 1 133 133 GLY N N 15 110.349 0.10 . 1 . . . . . . . . 4683 1 1475 . 1 1 133 133 GLY H H 1 9.443 0.05 . 1 . . . . . . . . 4683 1 1476 . 1 1 133 133 GLY CA C 13 47.100 0.10 . 1 . . . . . . . . 4683 1 1477 . 1 1 133 133 GLY HA2 H 1 3.546 0.05 . 1 . . . . . . . . 4683 1 1478 . 1 1 133 133 GLY HA3 H 1 4.323 0.05 . 1 . . . . . . . . 4683 1 1479 . 1 1 133 133 GLY C C 13 176.810 0.10 . 1 . . . . . . . . 4683 1 1480 . 1 1 134 134 GLU N N 15 121.139 0.10 . 1 . . . . . . . . 4683 1 1481 . 1 1 134 134 GLU H H 1 8.616 0.05 . 1 . . . . . . . . 4683 1 1482 . 1 1 134 134 GLU CA C 13 59.407 0.10 . 1 . . . . . . . . 4683 1 1483 . 1 1 134 134 GLU HA H 1 4.028 0.05 . 1 . . . . . . . . 4683 1 1484 . 1 1 134 134 GLU CB C 13 29.584 0.10 . 1 . . . . . . . . 4683 1 1485 . 1 1 134 134 GLU HB2 H 1 2.230 0.05 . 1 . . . . . . . . 4683 1 1486 . 1 1 134 134 GLU HB3 H 1 2.230 0.05 . 1 . . . . . . . . 4683 1 1487 . 1 1 134 134 GLU CG C 13 36.360 0.10 . 1 . . . . . . . . 4683 1 1488 . 1 1 134 134 GLU HG2 H 1 2.493 0.05 . 1 . . . . . . . . 4683 1 1489 . 1 1 134 134 GLU HG3 H 1 2.493 0.05 . 1 . . . . . . . . 4683 1 1490 . 1 1 134 134 GLU C C 13 177.843 0.10 . 1 . . . . . . . . 4683 1 1491 . 1 1 135 135 ARG N N 15 122.605 0.10 . 1 . . . . . . . . 4683 1 1492 . 1 1 135 135 ARG H H 1 7.708 0.05 . 1 . . . . . . . . 4683 1 1493 . 1 1 135 135 ARG CA C 13 59.566 0.10 . 1 . . . . . . . . 4683 1 1494 . 1 1 135 135 ARG HA H 1 2.885 0.05 . 1 . . . . . . . . 4683 1 1495 . 1 1 135 135 ARG CB C 13 29.257 0.10 . 1 . . . . . . . . 4683 1 1496 . 1 1 135 135 ARG HB2 H 1 1.391 0.05 . 1 . . . . . . . . 4683 1 1497 . 1 1 135 135 ARG HB3 H 1 1.391 0.05 . 1 . . . . . . . . 4683 1 1498 . 1 1 135 135 ARG CG C 13 29.284 0.10 . 1 . . . . . . . . 4683 1 1499 . 1 1 135 135 ARG HG2 H 1 0.985 0.05 . 1 . . . . . . . . 4683 1 1500 . 1 1 135 135 ARG HG3 H 1 0.985 0.05 . 1 . . . . . . . . 4683 1 1501 . 1 1 135 135 ARG CD C 13 44.100 0.10 . 1 . . . . . . . . 4683 1 1502 . 1 1 135 135 ARG C C 13 178.686 0.10 . 1 . . . . . . . . 4683 1 1503 . 1 1 136 136 LEU N N 15 122.853 0.10 . 1 . . . . . . . . 4683 1 1504 . 1 1 136 136 LEU H H 1 6.532 0.05 . 1 . . . . . . . . 4683 1 1505 . 1 1 136 136 LEU CA C 13 59.467 0.10 . 1 . . . . . . . . 4683 1 1506 . 1 1 136 136 LEU HA H 1 2.690 0.05 . 1 . . . . . . . . 4683 1 1507 . 1 1 136 136 LEU CB C 13 39.703 0.10 . 1 . . . . . . . . 4683 1 1508 . 1 1 136 136 LEU HB2 H 1 0.576 0.05 . 1 . . . . . . . . 4683 1 1509 . 1 1 136 136 LEU HB3 H 1 -0.191 0.05 . 1 . . . . . . . . 4683 1 1510 . 1 1 136 136 LEU CG C 13 31.512 0.10 . 1 . . . . . . . . 4683 1 1511 . 1 1 136 136 LEU HG H 1 0.235 0.05 . 1 . . . . . . . . 4683 1 1512 . 1 1 136 136 LEU CD1 C 13 23.728 0.10 . 1 . . . . . . . . 4683 1 1513 . 1 1 136 136 LEU HD11 H 1 -0.136 0.05 . 1 . . . . . . . . 4683 1 1514 . 1 1 136 136 LEU HD12 H 1 -0.136 0.05 . 1 . . . . . . . . 4683 1 1515 . 1 1 136 136 LEU HD13 H 1 -0.136 0.05 . 1 . . . . . . . . 4683 1 1516 . 1 1 136 136 LEU CD2 C 13 25.536 0.10 . 1 . . . . . . . . 4683 1 1517 . 1 1 136 136 LEU HD21 H 1 0.088 0.05 . 1 . . . . . . . . 4683 1 1518 . 1 1 136 136 LEU HD22 H 1 0.088 0.05 . 1 . . . . . . . . 4683 1 1519 . 1 1 136 136 LEU HD23 H 1 0.088 0.05 . 1 . . . . . . . . 4683 1 1520 . 1 1 136 136 LEU C C 13 176.681 0.10 . 1 . . . . . . . . 4683 1 1521 . 1 1 137 137 SER N N 15 111.666 0.10 . 1 . . . . . . . . 4683 1 1522 . 1 1 137 137 SER H H 1 7.832 0.05 . 1 . . . . . . . . 4683 1 1523 . 1 1 137 137 SER CA C 13 60.967 0.10 . 1 . . . . . . . . 4683 1 1524 . 1 1 137 137 SER HA H 1 4.140 0.05 . 1 . . . . . . . . 4683 1 1525 . 1 1 137 137 SER CB C 13 63.105 0.10 . 1 . . . . . . . . 4683 1 1526 . 1 1 137 137 SER HB2 H 1 3.217 0.05 . 1 . . . . . . . . 4683 1 1527 . 1 1 137 137 SER HB3 H 1 3.217 0.05 . 1 . . . . . . . . 4683 1 1528 . 1 1 137 137 SER C C 13 175.786 0.10 . 1 . . . . . . . . 4683 1 1529 . 1 1 138 138 HIS N N 15 117.151 0.10 . 1 . . . . . . . . 4683 1 1530 . 1 1 138 138 HIS H H 1 8.084 0.05 . 1 . . . . . . . . 4683 1 1531 . 1 1 138 138 HIS CA C 13 59.499 0.10 . 1 . . . . . . . . 4683 1 1532 . 1 1 138 138 HIS HA H 1 3.871 0.05 . 1 . . . . . . . . 4683 1 1533 . 1 1 138 138 HIS CB C 13 27.205 0.10 . 1 . . . . . . . . 4683 1 1534 . 1 1 138 138 HIS HB2 H 1 2.734 0.05 . 1 . . . . . . . . 4683 1 1535 . 1 1 138 138 HIS HB3 H 1 3.271 0.05 . 1 . . . . . . . . 4683 1 1536 . 1 1 138 138 HIS HD2 H 1 7.333 0.05 . 1 . . . . . . . . 4683 1 1537 . 1 1 138 138 HIS C C 13 176.341 0.10 . 1 . . . . . . . . 4683 1 1538 . 1 1 139 139 ALA N N 15 123.020 0.10 . 1 . . . . . . . . 4683 1 1539 . 1 1 139 139 ALA H H 1 7.378 0.05 . 1 . . . . . . . . 4683 1 1540 . 1 1 139 139 ALA CA C 13 55.682 0.10 . 1 . . . . . . . . 4683 1 1541 . 1 1 139 139 ALA HA H 1 3.581 0.05 . 1 . . . . . . . . 4683 1 1542 . 1 1 139 139 ALA CB C 13 17.357 0.10 . 1 . . . . . . . . 4683 1 1543 . 1 1 139 139 ALA HB1 H 1 1.464 0.05 . 1 . . . . . . . . 4683 1 1544 . 1 1 139 139 ALA HB2 H 1 1.464 0.05 . 1 . . . . . . . . 4683 1 1545 . 1 1 139 139 ALA HB3 H 1 1.464 0.05 . 1 . . . . . . . . 4683 1 1546 . 1 1 139 139 ALA C C 13 178.277 0.10 . 1 . . . . . . . . 4683 1 1547 . 1 1 140 140 VAL N N 15 119.411 0.10 . 1 . . . . . . . . 4683 1 1548 . 1 1 140 140 VAL H H 1 7.787 0.05 . 1 . . . . . . . . 4683 1 1549 . 1 1 140 140 VAL CA C 13 66.299 0.10 . 1 . . . . . . . . 4683 1 1550 . 1 1 140 140 VAL HA H 1 3.030 0.05 . 1 . . . . . . . . 4683 1 1551 . 1 1 140 140 VAL CB C 13 30.060 0.10 . 1 . . . . . . . . 4683 1 1552 . 1 1 140 140 VAL HB H 1 2.142 0.05 . 1 . . . . . . . . 4683 1 1553 . 1 1 140 140 VAL CG2 C 13 23.623 0.10 . 1 . . . . . . . . 4683 1 1554 . 1 1 140 140 VAL HG21 H 1 0.693 0.05 . 1 . . . . . . . . 4683 1 1555 . 1 1 140 140 VAL HG22 H 1 0.693 0.05 . 1 . . . . . . . . 4683 1 1556 . 1 1 140 140 VAL HG23 H 1 0.693 0.05 . 1 . . . . . . . . 4683 1 1557 . 1 1 140 140 VAL CG1 C 13 23.616 0.10 . 1 . . . . . . . . 4683 1 1558 . 1 1 140 140 VAL HG11 H 1 0.297 0.05 . 1 . . . . . . . . 4683 1 1559 . 1 1 140 140 VAL HG12 H 1 0.297 0.05 . 1 . . . . . . . . 4683 1 1560 . 1 1 140 140 VAL HG13 H 1 0.297 0.05 . 1 . . . . . . . . 4683 1 1561 . 1 1 140 140 VAL C C 13 176.656 0.10 . 1 . . . . . . . . 4683 1 1562 . 1 1 141 141 GLY N N 15 107.797 0.10 . 1 . . . . . . . . 4683 1 1563 . 1 1 141 141 GLY H H 1 8.262 0.05 . 1 . . . . . . . . 4683 1 1564 . 1 1 141 141 GLY CA C 13 46.048 0.10 . 1 . . . . . . . . 4683 1 1565 . 1 1 141 141 GLY HA2 H 1 2.875 0.05 . 1 . . . . . . . . 4683 1 1566 . 1 1 141 141 GLY HA3 H 1 2.875 0.05 . 1 . . . . . . . . 4683 1 1567 . 1 1 141 141 GLY C C 13 177.266 0.10 . 1 . . . . . . . . 4683 1 1568 . 1 1 142 142 CYS N N 15 121.429 0.10 . 1 . . . . . . . . 4683 1 1569 . 1 1 142 142 CYS H H 1 7.472 0.05 . 1 . . . . . . . . 4683 1 1570 . 1 1 142 142 CYS CA C 13 62.518 0.10 . 1 . . . . . . . . 4683 1 1571 . 1 1 142 142 CYS HA H 1 4.031 0.05 . 1 . . . . . . . . 4683 1 1572 . 1 1 142 142 CYS CB C 13 25.709 0.10 . 1 . . . . . . . . 4683 1 1573 . 1 1 142 142 CYS HB2 H 1 3.061 0.05 . 1 . . . . . . . . 4683 1 1574 . 1 1 142 142 CYS HB3 H 1 3.061 0.05 . 1 . . . . . . . . 4683 1 1575 . 1 1 142 142 CYS C C 13 176.058 0.10 . 1 . . . . . . . . 4683 1 1576 . 1 1 143 143 ALA N N 15 125.485 0.10 . 1 . . . . . . . . 4683 1 1577 . 1 1 143 143 ALA H H 1 7.584 0.05 . 1 . . . . . . . . 4683 1 1578 . 1 1 143 143 ALA CA C 13 55.672 0.10 . 1 . . . . . . . . 4683 1 1579 . 1 1 143 143 ALA HA H 1 3.598 0.05 . 1 . . . . . . . . 4683 1 1580 . 1 1 143 143 ALA CB C 13 17.247 0.10 . 1 . . . . . . . . 4683 1 1581 . 1 1 143 143 ALA HB1 H 1 1.252 0.05 . 1 . . . . . . . . 4683 1 1582 . 1 1 143 143 ALA HB2 H 1 1.252 0.05 . 1 . . . . . . . . 4683 1 1583 . 1 1 143 143 ALA HB3 H 1 1.252 0.05 . 1 . . . . . . . . 4683 1 1584 . 1 1 143 143 ALA C C 13 179.389 0.10 . 1 . . . . . . . . 4683 1 1585 . 1 1 144 144 PHE N N 15 116.351 0.10 . 1 . . . . . . . . 4683 1 1586 . 1 1 144 144 PHE H H 1 8.064 0.05 . 1 . . . . . . . . 4683 1 1587 . 1 1 144 144 PHE CA C 13 56.933 0.10 . 1 . . . . . . . . 4683 1 1588 . 1 1 144 144 PHE HA H 1 4.279 0.05 . 1 . . . . . . . . 4683 1 1589 . 1 1 144 144 PHE CB C 13 36.938 0.10 . 1 . . . . . . . . 4683 1 1590 . 1 1 144 144 PHE HB2 H 1 3.600 0.05 . 1 . . . . . . . . 4683 1 1591 . 1 1 144 144 PHE HB3 H 1 3.600 0.05 . 1 . . . . . . . . 4683 1 1592 . 1 1 144 144 PHE HD1 H 1 7.107 0.05 . 1 . . . . . . . . 4683 1 1593 . 1 1 144 144 PHE HE1 H 1 7.254 0.05 . 1 . . . . . . . . 4683 1 1594 . 1 1 144 144 PHE HE2 H 1 7.254 0.05 . 1 . . . . . . . . 4683 1 1595 . 1 1 144 144 PHE HD2 H 1 7.107 0.05 . 1 . . . . . . . . 4683 1 1596 . 1 1 144 144 PHE C C 13 178.584 0.10 . 1 . . . . . . . . 4683 1 1597 . 1 1 145 145 ALA N N 15 123.061 0.10 . 1 . . . . . . . . 4683 1 1598 . 1 1 145 145 ALA H H 1 7.502 0.05 . 1 . . . . . . . . 4683 1 1599 . 1 1 145 145 ALA CA C 13 55.181 0.10 . 1 . . . . . . . . 4683 1 1600 . 1 1 145 145 ALA HA H 1 4.217 0.05 . 1 . . . . . . . . 4683 1 1601 . 1 1 145 145 ALA CB C 13 17.798 0.10 . 1 . . . . . . . . 4683 1 1602 . 1 1 145 145 ALA HB1 H 1 1.592 0.05 . 1 . . . . . . . . 4683 1 1603 . 1 1 145 145 ALA HB2 H 1 1.592 0.05 . 1 . . . . . . . . 4683 1 1604 . 1 1 145 145 ALA HB3 H 1 1.592 0.05 . 1 . . . . . . . . 4683 1 1605 . 1 1 145 145 ALA C C 13 180.447 0.10 . 1 . . . . . . . . 4683 1 1606 . 1 1 146 146 VAL N N 15 121.376 0.10 . 1 . . . . . . . . 4683 1 1607 . 1 1 146 146 VAL H H 1 8.487 0.05 . 1 . . . . . . . . 4683 1 1608 . 1 1 146 146 VAL CA C 13 65.962 0.10 . 1 . . . . . . . . 4683 1 1609 . 1 1 146 146 VAL HA H 1 3.642 0.05 . 1 . . . . . . . . 4683 1 1610 . 1 1 146 146 VAL CB C 13 31.181 0.10 . 1 . . . . . . . . 4683 1 1611 . 1 1 146 146 VAL HB H 1 2.112 0.05 . 1 . . . . . . . . 4683 1 1612 . 1 1 146 146 VAL CG2 C 13 23.403 0.10 . 1 . . . . . . . . 4683 1 1613 . 1 1 146 146 VAL HG21 H 1 1.013 0.05 . 1 . . . . . . . . 4683 1 1614 . 1 1 146 146 VAL HG22 H 1 1.013 0.05 . 1 . . . . . . . . 4683 1 1615 . 1 1 146 146 VAL HG23 H 1 1.013 0.05 . 1 . . . . . . . . 4683 1 1616 . 1 1 146 146 VAL CG1 C 13 21.724 0.10 . 1 . . . . . . . . 4683 1 1617 . 1 1 146 146 VAL HG11 H 1 1.006 0.05 . 1 . . . . . . . . 4683 1 1618 . 1 1 146 146 VAL HG12 H 1 1.006 0.05 . 1 . . . . . . . . 4683 1 1619 . 1 1 146 146 VAL HG13 H 1 1.006 0.05 . 1 . . . . . . . . 4683 1 1620 . 1 1 146 146 VAL C C 13 177.588 0.10 . 1 . . . . . . . . 4683 1 1621 . 1 1 147 147 CYS N N 15 120.780 0.10 . 1 . . . . . . . . 4683 1 1622 . 1 1 147 147 CYS H H 1 8.406 0.05 . 1 . . . . . . . . 4683 1 1623 . 1 1 147 147 CYS CA C 13 63.102 0.10 . 1 . . . . . . . . 4683 1 1624 . 1 1 147 147 CYS HA H 1 4.048 0.05 . 1 . . . . . . . . 4683 1 1625 . 1 1 147 147 CYS CB C 13 26.849 0.10 . 1 . . . . . . . . 4683 1 1626 . 1 1 147 147 CYS HB2 H 1 3.180 0.05 . 1 . . . . . . . . 4683 1 1627 . 1 1 147 147 CYS HB3 H 1 3.180 0.05 . 1 . . . . . . . . 4683 1 1628 . 1 1 147 147 CYS C C 13 177.374 0.10 . 1 . . . . . . . . 4683 1 1629 . 1 1 148 148 LEU N N 15 120.528 0.10 . 1 . . . . . . . . 4683 1 1630 . 1 1 148 148 LEU H H 1 8.017 0.05 . 1 . . . . . . . . 4683 1 1631 . 1 1 148 148 LEU CA C 13 58.019 0.10 . 1 . . . . . . . . 4683 1 1632 . 1 1 148 148 LEU HA H 1 4.042 0.05 . 1 . . . . . . . . 4683 1 1633 . 1 1 148 148 LEU CB C 13 42.063 0.10 . 1 . . . . . . . . 4683 1 1634 . 1 1 148 148 LEU HB2 H 1 1.549 0.05 . 1 . . . . . . . . 4683 1 1635 . 1 1 148 148 LEU HB3 H 1 1.345 0.05 . 1 . . . . . . . . 4683 1 1636 . 1 1 148 148 LEU CG C 13 25.884 0.10 . 1 . . . . . . . . 4683 1 1637 . 1 1 148 148 LEU HG H 1 1.420 0.05 . 1 . . . . . . . . 4683 1 1638 . 1 1 148 148 LEU CD1 C 13 25.884 0.10 . 1 . . . . . . . . 4683 1 1639 . 1 1 148 148 LEU HD11 H 1 0.870 0.05 . 1 . . . . . . . . 4683 1 1640 . 1 1 148 148 LEU HD12 H 1 0.870 0.05 . 1 . . . . . . . . 4683 1 1641 . 1 1 148 148 LEU HD13 H 1 0.870 0.05 . 1 . . . . . . . . 4683 1 1642 . 1 1 148 148 LEU CD2 C 13 23.497 0.10 . 1 . . . . . . . . 4683 1 1643 . 1 1 148 148 LEU HD21 H 1 0.870 0.05 . 1 . . . . . . . . 4683 1 1644 . 1 1 148 148 LEU HD22 H 1 0.870 0.05 . 1 . . . . . . . . 4683 1 1645 . 1 1 148 148 LEU HD23 H 1 0.870 0.05 . 1 . . . . . . . . 4683 1 1646 . 1 1 148 148 LEU C C 13 178.224 0.10 . 1 . . . . . . . . 4683 1 1647 . 1 1 149 149 GLU N N 15 119.766 0.10 . 1 . . . . . . . . 4683 1 1648 . 1 1 149 149 GLU H H 1 8.163 0.05 . 1 . . . . . . . . 4683 1 1649 . 1 1 149 149 GLU CA C 13 59.211 0.10 . 1 . . . . . . . . 4683 1 1650 . 1 1 149 149 GLU HA H 1 4.025 0.05 . 1 . . . . . . . . 4683 1 1651 . 1 1 149 149 GLU CB C 13 29.315 0.10 . 1 . . . . . . . . 4683 1 1652 . 1 1 149 149 GLU HB2 H 1 2.133 0.05 . 1 . . . . . . . . 4683 1 1653 . 1 1 149 149 GLU HB3 H 1 2.334 0.05 . 1 . . . . . . . . 4683 1 1654 . 1 1 149 149 GLU CG C 13 35.994 0.10 . 1 . . . . . . . . 4683 1 1655 . 1 1 149 149 GLU HG2 H 1 2.507 0.05 . 1 . . . . . . . . 4683 1 1656 . 1 1 149 149 GLU HG3 H 1 2.507 0.05 . 1 . . . . . . . . 4683 1 1657 . 1 1 149 149 GLU C C 13 179.455 0.10 . 1 . . . . . . . . 4683 1 1658 . 1 1 150 150 ARG N N 15 118.403 0.10 . 1 . . . . . . . . 4683 1 1659 . 1 1 150 150 ARG H H 1 8.097 0.05 . 1 . . . . . . . . 4683 1 1660 . 1 1 150 150 ARG CA C 13 59.229 0.10 . 1 . . . . . . . . 4683 1 1661 . 1 1 150 150 ARG HA H 1 4.072 0.05 . 1 . . . . . . . . 4683 1 1662 . 1 1 150 150 ARG CB C 13 30.107 0.10 . 1 . . . . . . . . 4683 1 1663 . 1 1 150 150 ARG HB2 H 1 2.004 0.05 . 1 . . . . . . . . 4683 1 1664 . 1 1 150 150 ARG HB3 H 1 2.004 0.05 . 1 . . . . . . . . 4683 1 1665 . 1 1 150 150 ARG CG C 13 27.566 0.10 . 1 . . . . . . . . 4683 1 1666 . 1 1 150 150 ARG HG2 H 1 3.124 0.05 . 1 . . . . . . . . 4683 1 1667 . 1 1 150 150 ARG HG3 H 1 3.124 0.05 . 1 . . . . . . . . 4683 1 1668 . 1 1 150 150 ARG CD C 13 43.965 0.10 . 1 . . . . . . . . 4683 1 1669 . 1 1 150 150 ARG C C 13 178.716 0.10 . 1 . . . . . . . . 4683 1 1670 . 1 1 151 151 LYS N N 15 120.951 0.10 . 1 . . . . . . . . 4683 1 1671 . 1 1 151 151 LYS H H 1 8.086 0.05 . 1 . . . . . . . . 4683 1 1672 . 1 1 151 151 LYS CA C 13 58.915 0.10 . 1 . . . . . . . . 4683 1 1673 . 1 1 151 151 LYS HA H 1 4.099 0.05 . 1 . . . . . . . . 4683 1 1674 . 1 1 151 151 LYS CB C 13 32.482 0.10 . 1 . . . . . . . . 4683 1 1675 . 1 1 151 151 LYS HB2 H 1 2.067 0.05 . 1 . . . . . . . . 4683 1 1676 . 1 1 151 151 LYS HB3 H 1 1.810 0.05 . 1 . . . . . . . . 4683 1 1677 . 1 1 151 151 LYS CG C 13 25.130 0.10 . 1 . . . . . . . . 4683 1 1678 . 1 1 151 151 LYS HG2 H 1 1.679 0.05 . 1 . . . . . . . . 4683 1 1679 . 1 1 151 151 LYS HG3 H 1 1.679 0.05 . 1 . . . . . . . . 4683 1 1680 . 1 1 151 151 LYS CD C 13 29.665 0.10 . 1 . . . . . . . . 4683 1 1681 . 1 1 151 151 LYS HD2 H 1 1.494 0.05 . 1 . . . . . . . . 4683 1 1682 . 1 1 151 151 LYS HD3 H 1 1.494 0.05 . 1 . . . . . . . . 4683 1 1683 . 1 1 151 151 LYS CE C 13 42.386 0.10 . 1 . . . . . . . . 4683 1 1684 . 1 1 151 151 LYS HE2 H 1 2.994 0.05 . 1 . . . . . . . . 4683 1 1685 . 1 1 151 151 LYS HE3 H 1 2.994 0.05 . 1 . . . . . . . . 4683 1 1686 . 1 1 151 151 LYS C C 13 178.826 0.10 . 1 . . . . . . . . 4683 1 1687 . 1 1 152 152 GLN N N 15 118.563 0.10 . 1 . . . . . . . . 4683 1 1688 . 1 1 152 152 GLN H H 1 8.347 0.05 . 1 . . . . . . . . 4683 1 1689 . 1 1 152 152 GLN CA C 13 57.475 0.10 . 1 . . . . . . . . 4683 1 1690 . 1 1 152 152 GLN HA H 1 4.157 0.05 . 1 . . . . . . . . 4683 1 1691 . 1 1 152 152 GLN CB C 13 28.374 0.10 . 1 . . . . . . . . 4683 1 1692 . 1 1 152 152 GLN HB2 H 1 2.114 0.05 . 1 . . . . . . . . 4683 1 1693 . 1 1 152 152 GLN HB3 H 1 2.114 0.05 . 1 . . . . . . . . 4683 1 1694 . 1 1 152 152 GLN CG C 13 34.021 0.10 . 1 . . . . . . . . 4683 1 1695 . 1 1 152 152 GLN HG2 H 1 2.586 0.05 . 1 . . . . . . . . 4683 1 1696 . 1 1 152 152 GLN HG3 H 1 2.420 0.05 . 1 . . . . . . . . 4683 1 1697 . 1 1 152 152 GLN NE2 N 15 111.099 0.10 . 1 . . . . . . . . 4683 1 1698 . 1 1 152 152 GLN HE21 H 1 7.427 0.05 . 1 . . . . . . . . 4683 1 1699 . 1 1 152 152 GLN HE22 H 1 6.839 0.05 . 1 . . . . . . . . 4683 1 1700 . 1 1 152 152 GLN C C 13 177.458 0.10 . 1 . . . . . . . . 4683 1 1701 . 1 1 153 153 ARG N N 15 119.193 0.10 . 1 . . . . . . . . 4683 1 1702 . 1 1 153 153 ARG H H 1 7.899 0.05 . 1 . . . . . . . . 4683 1 1703 . 1 1 153 153 ARG CA C 13 57.292 0.10 . 1 . . . . . . . . 4683 1 1704 . 1 1 153 153 ARG HA H 1 4.217 0.05 . 1 . . . . . . . . 4683 1 1705 . 1 1 153 153 ARG CB C 13 30.117 0.10 . 1 . . . . . . . . 4683 1 1706 . 1 1 153 153 ARG HB2 H 1 1.939 0.05 . 1 . . . . . . . . 4683 1 1707 . 1 1 153 153 ARG HB3 H 1 1.939 0.05 . 1 . . . . . . . . 4683 1 1708 . 1 1 153 153 ARG CG C 13 30.196 0.10 . 1 . . . . . . . . 4683 1 1709 . 1 1 153 153 ARG HG2 H 1 1.724 0.05 . 1 . . . . . . . . 4683 1 1710 . 1 1 153 153 ARG HG3 H 1 1.810 0.05 . 1 . . . . . . . . 4683 1 1711 . 1 1 153 153 ARG CD C 13 43.421 0.10 . 1 . . . . . . . . 4683 1 1712 . 1 1 153 153 ARG HD2 H 1 3.230 0.05 . 1 . . . . . . . . 4683 1 1713 . 1 1 153 153 ARG HD3 H 1 3.230 0.05 . 1 . . . . . . . . 4683 1 1714 . 1 1 153 153 ARG C C 13 177.188 0.10 . 1 . . . . . . . . 4683 1 1715 . 1 1 154 154 ARG N N 15 120.000 0.10 . 1 . . . . . . . . 4683 1 1716 . 1 1 154 154 ARG H H 1 7.939 0.05 . 1 . . . . . . . . 4683 1 1717 . 1 1 154 154 ARG CA C 13 57.181 0.10 . 1 . . . . . . . . 4683 1 1718 . 1 1 154 154 ARG HA H 1 4.335 0.05 . 1 . . . . . . . . 4683 1 1719 . 1 1 154 154 ARG CB C 13 30.497 0.10 . 1 . . . . . . . . 4683 1 1720 . 1 1 154 154 ARG HB2 H 1 1.929 0.05 . 1 . . . . . . . . 4683 1 1721 . 1 1 154 154 ARG HB3 H 1 1.929 0.05 . 1 . . . . . . . . 4683 1 1722 . 1 1 154 154 ARG CG C 13 27.218 0.10 . 1 . . . . . . . . 4683 1 1723 . 1 1 154 154 ARG HG2 H 1 1.729 0.05 . 1 . . . . . . . . 4683 1 1724 . 1 1 154 154 ARG HG3 H 1 1.729 0.05 . 1 . . . . . . . . 4683 1 1725 . 1 1 154 154 ARG CD C 13 43.427 0.10 . 1 . . . . . . . . 4683 1 1726 . 1 1 154 154 ARG HD2 H 1 3.231 0.05 . 1 . . . . . . . . 4683 1 1727 . 1 1 154 154 ARG HD3 H 1 3.231 0.05 . 1 . . . . . . . . 4683 1 1728 . 1 1 154 154 ARG C C 13 177.076 0.10 . 1 . . . . . . . . 4683 1 1729 . 1 1 155 155 THR N N 15 114.414 0.10 . 1 . . . . . . . . 4683 1 1730 . 1 1 155 155 THR H H 1 8.014 0.05 . 1 . . . . . . . . 4683 1 1731 . 1 1 155 155 THR CA C 13 62.488 0.10 . 1 . . . . . . . . 4683 1 1732 . 1 1 155 155 THR HA H 1 4.273 0.05 . 1 . . . . . . . . 4683 1 1733 . 1 1 155 155 THR CB C 13 69.537 0.10 . 1 . . . . . . . . 4683 1 1734 . 1 1 155 155 THR CG2 C 13 21.556 0.10 . 1 . . . . . . . . 4683 1 1735 . 1 1 155 155 THR HG21 H 1 1.409 0.05 . 1 . . . . . . . . 4683 1 1736 . 1 1 155 155 THR HG22 H 1 1.409 0.05 . 1 . . . . . . . . 4683 1 1737 . 1 1 155 155 THR HG23 H 1 1.409 0.05 . 1 . . . . . . . . 4683 1 1738 . 1 1 155 155 THR C C 13 174.675 0.10 . 1 . . . . . . . . 4683 1 1739 . 1 1 156 156 ARG N N 15 123.215 0.10 . 1 . . . . . . . . 4683 1 1740 . 1 1 156 156 ARG H H 1 8.111 0.05 . 1 . . . . . . . . 4683 1 1741 . 1 1 156 156 ARG CA C 13 56.332 0.10 . 1 . . . . . . . . 4683 1 1742 . 1 1 156 156 ARG HA H 1 4.312 0.05 . 1 . . . . . . . . 4683 1 1743 . 1 1 156 156 ARG CB C 13 30.579 0.10 . 1 . . . . . . . . 4683 1 1744 . 1 1 156 156 ARG HB2 H 1 1.858 0.05 . 1 . . . . . . . . 4683 1 1745 . 1 1 156 156 ARG HB3 H 1 1.858 0.05 . 1 . . . . . . . . 4683 1 1746 . 1 1 156 156 ARG CG C 13 26.959 0.10 . 1 . . . . . . . . 4683 1 1747 . 1 1 156 156 ARG HG2 H 1 1.679 0.05 . 1 . . . . . . . . 4683 1 1748 . 1 1 156 156 ARG HG3 H 1 1.679 0.05 . 1 . . . . . . . . 4683 1 1749 . 1 1 156 156 ARG CD C 13 43.331 0.10 . 1 . . . . . . . . 4683 1 1750 . 1 1 156 156 ARG HD2 H 1 3.210 0.05 . 1 . . . . . . . . 4683 1 1751 . 1 1 156 156 ARG HD3 H 1 3.210 0.05 . 1 . . . . . . . . 4683 1 1752 . 1 1 156 156 ARG C C 13 176.008 0.10 . 1 . . . . . . . . 4683 1 1753 . 1 1 157 157 ALA N N 15 125.162 0.10 . 1 . . . . . . . . 4683 1 1754 . 1 1 157 157 ALA H H 1 8.189 0.05 . 1 . . . . . . . . 4683 1 1755 . 1 1 157 157 ALA CA C 13 52.477 0.10 . 1 . . . . . . . . 4683 1 1756 . 1 1 157 157 ALA HA H 1 4.301 0.05 . 1 . . . . . . . . 4683 1 1757 . 1 1 157 157 ALA CB C 13 18.983 0.10 . 1 . . . . . . . . 4683 1 1758 . 1 1 157 157 ALA HB1 H 1 1.409 0.05 . 1 . . . . . . . . 4683 1 1759 . 1 1 157 157 ALA HB2 H 1 1.409 0.05 . 1 . . . . . . . . 4683 1 1760 . 1 1 157 157 ALA HB3 H 1 1.409 0.05 . 1 . . . . . . . . 4683 1 1761 . 1 1 157 157 ALA C C 13 177.289 0.10 . 1 . . . . . . . . 4683 1 1762 . 1 1 158 158 ALA N N 15 123.314 0.10 . 1 . . . . . . . . 4683 1 1763 . 1 1 158 158 ALA H H 1 8.126 0.05 . 1 . . . . . . . . 4683 1 1764 . 1 1 158 158 ALA CA C 13 52.228 0.10 . 1 . . . . . . . . 4683 1 1765 . 1 1 158 158 ALA HA H 1 4.308 0.05 . 1 . . . . . . . . 4683 1 1766 . 1 1 158 158 ALA CB C 13 19.166 0.10 . 1 . . . . . . . . 4683 1 1767 . 1 1 158 158 ALA HB1 H 1 1.419 0.05 . 1 . . . . . . . . 4683 1 1768 . 1 1 158 158 ALA HB2 H 1 1.419 0.05 . 1 . . . . . . . . 4683 1 1769 . 1 1 158 158 ALA HB3 H 1 1.419 0.05 . 1 . . . . . . . . 4683 1 1770 . 1 1 158 158 ALA C C 13 177.111 0.10 . 1 . . . . . . . . 4683 1 1771 . 1 1 159 159 ALA N N 15 123.934 0.10 . 1 . . . . . . . . 4683 1 1772 . 1 1 159 159 ALA H H 1 8.174 0.05 . 1 . . . . . . . . 4683 1 1773 . 1 1 159 159 ALA CA C 13 52.308 0.10 . 1 . . . . . . . . 4683 1 1774 . 1 1 159 159 ALA HA H 1 4.368 0.05 . 1 . . . . . . . . 4683 1 1775 . 1 1 159 159 ALA CB C 13 19.233 0.10 . 1 . . . . . . . . 4683 1 1776 . 1 1 159 159 ALA HB1 H 1 1.420 0.05 . 1 . . . . . . . . 4683 1 1777 . 1 1 159 159 ALA HB2 H 1 1.420 0.05 . 1 . . . . . . . . 4683 1 1778 . 1 1 159 159 ALA HB3 H 1 1.420 0.05 . 1 . . . . . . . . 4683 1 1779 . 1 1 159 159 ALA C C 13 176.643 0.10 . 1 . . . . . . . . 4683 1 1780 . 1 1 160 160 SER N N 15 120.896 0.10 . 1 . . . . . . . . 4683 1 1781 . 1 1 160 160 SER H H 1 7.847 0.05 . 1 . . . . . . . . 4683 1 1782 . 1 1 160 160 SER CA C 13 59.637 0.10 . 1 . . . . . . . . 4683 1 1783 . 1 1 160 160 SER CB C 13 64.706 0.10 . 1 . . . . . . . . 4683 1 1784 . 1 1 161 161 GLY N N 15 112.643 0.10 . 1 . . . . . . . . 4683 1 1785 . 1 1 161 161 GLY H H 1 8.105 0.05 . 1 . . . . . . . . 4683 1 1786 . 1 1 161 161 GLY CA C 13 44.430 0.10 . 1 . . . . . . . . 4683 1 1787 . 1 1 161 161 GLY HA2 H 1 4.013 0.05 . 1 . . . . . . . . 4683 1 1788 . 1 1 161 161 GLY HA3 H 1 3.882 0.05 . 1 . . . . . . . . 4683 1 1789 . 1 1 162 162 PHE N N 15 116.836 0.10 . 1 . . . . . . . . 4683 1 1790 . 1 1 162 162 PHE H H 1 8.283 0.05 . 1 . . . . . . . . 4683 1 1791 . 1 1 162 162 PHE CA C 13 57.225 0.10 . 1 . . . . . . . . 4683 1 1792 . 1 1 162 162 PHE HA H 1 4.920 0.05 . 1 . . . . . . . . 4683 1 1793 . 1 1 162 162 PHE CB C 13 42.074 0.10 . 1 . . . . . . . . 4683 1 1794 . 1 1 162 162 PHE HB2 H 1 3.165 0.05 . 1 . . . . . . . . 4683 1 1795 . 1 1 162 162 PHE HB3 H 1 2.998 0.05 . 1 . . . . . . . . 4683 1 1796 . 1 1 162 162 PHE HD1 H 1 7.160 0.05 . 1 . . . . . . . . 4683 1 1797 . 1 1 162 162 PHE HE1 H 1 7.203 0.05 . 1 . . . . . . . . 4683 1 1798 . 1 1 162 162 PHE HZ H 1 6.933 0.05 . 1 . . . . . . . . 4683 1 1799 . 1 1 162 162 PHE HE2 H 1 7.203 0.05 . 1 . . . . . . . . 4683 1 1800 . 1 1 162 162 PHE HD2 H 1 7.160 0.05 . 1 . . . . . . . . 4683 1 1801 . 1 1 163 163 SER H H 1 8.896 0.05 . 1 . . . . . . . . 4683 1 1802 . 1 1 163 163 SER HA H 1 5.110 0.05 . 1 . . . . . . . . 4683 1 1803 . 1 1 163 163 SER HB2 H 1 3.945 0.05 . 1 . . . . . . . . 4683 1 1804 . 1 1 163 163 SER HB3 H 1 3.880 0.05 . 1 . . . . . . . . 4683 1 1805 . 1 1 164 164 ASN H H 1 8.121 0.05 . 1 . . . . . . . . 4683 1 1806 . 1 1 164 164 ASN HA H 1 4.122 0.05 . 1 . . . . . . . . 4683 1 1807 . 1 1 164 164 ASN HB3 H 1 1.325 0.05 . 1 . . . . . . . . 4683 1 1808 . 1 1 164 164 ASN HD21 H 1 7.497 0.05 . 1 . . . . . . . . 4683 1 1809 . 1 1 164 164 ASN HD22 H 1 7.474 0.05 . 1 . . . . . . . . 4683 1 1810 . 1 1 165 165 MET H H 1 9.140 0.05 . 1 . . . . . . . . 4683 1 1811 . 1 1 165 165 MET HA H 1 4.517 0.05 . 1 . . . . . . . . 4683 1 1812 . 1 1 165 165 MET HB2 H 1 2.250 0.05 . 1 . . . . . . . . 4683 1 1813 . 1 1 165 165 MET HB3 H 1 2.610 0.05 . 1 . . . . . . . . 4683 1 1814 . 1 1 165 165 MET HG2 H 1 2.974 0.05 . 1 . . . . . . . . 4683 1 1815 . 1 1 165 165 MET HG3 H 1 2.974 0.05 . 1 . . . . . . . . 4683 1 1816 . 1 1 165 165 MET HE1 H 1 2.200 0.05 . 1 . . . . . . . . 4683 1 1817 . 1 1 165 165 MET HE2 H 1 2.200 0.05 . 1 . . . . . . . . 4683 1 1818 . 1 1 165 165 MET HE3 H 1 2.200 0.05 . 1 . . . . . . . . 4683 1 1819 . 1 1 166 166 SER H H 1 8.130 0.05 . 1 . . . . . . . . 4683 1 1820 . 1 1 166 166 SER HA H 1 4.470 0.05 . 1 . . . . . . . . 4683 1 1821 . 1 1 166 166 SER HB2 H 1 3.992 0.05 . 1 . . . . . . . . 4683 1 1822 . 1 1 166 166 SER HB3 H 1 3.684 0.05 . 1 . . . . . . . . 4683 1 1823 . 1 1 167 167 PHE N N 15 122.329 0.10 . 1 . . . . . . . . 4683 1 1824 . 1 1 167 167 PHE H H 1 6.842 0.05 . 1 . . . . . . . . 4683 1 1825 . 1 1 167 167 PHE HA H 1 4.360 0.05 . 1 . . . . . . . . 4683 1 1826 . 1 1 167 167 PHE HB2 H 1 3.212 0.05 . 1 . . . . . . . . 4683 1 1827 . 1 1 167 167 PHE HB3 H 1 2.833 0.05 . 1 . . . . . . . . 4683 1 1828 . 1 1 167 167 PHE HD1 H 1 7.000 0.05 . 1 . . . . . . . . 4683 1 1829 . 1 1 167 167 PHE HE1 H 1 7.420 0.05 . 1 . . . . . . . . 4683 1 1830 . 1 1 167 167 PHE HZ H 1 7.300 0.05 . 1 . . . . . . . . 4683 1 1831 . 1 1 167 167 PHE HE2 H 1 7.420 0.05 . 1 . . . . . . . . 4683 1 1832 . 1 1 167 167 PHE HD2 H 1 7.000 0.05 . 1 . . . . . . . . 4683 1 1833 . 1 1 168 168 GLU H H 1 7.946 0.05 . 1 . . . . . . . . 4683 1 1834 . 1 1 168 168 GLU HA H 1 4.082 0.05 . 1 . . . . . . . . 4683 1 1835 . 1 1 168 168 GLU HB2 H 1 1.623 0.05 . 1 . . . . . . . . 4683 1 1836 . 1 1 168 168 GLU HB3 H 1 1.561 0.05 . 1 . . . . . . . . 4683 1 1837 . 1 1 168 168 GLU HG2 H 1 2.003 0.05 . 1 . . . . . . . . 4683 1 1838 . 1 1 168 168 GLU HG3 H 1 1.911 0.05 . 1 . . . . . . . . 4683 1 1839 . 1 1 169 169 ASP H H 1 7.727 0.05 . 1 . . . . . . . . 4683 1 1840 . 1 1 169 169 ASP HA H 1 4.276 0.05 . 1 . . . . . . . . 4683 1 1841 . 1 1 169 169 ASP HB2 H 1 2.715 0.05 . 1 . . . . . . . . 4683 1 1842 . 1 1 169 169 ASP HB3 H 1 2.528 0.05 . 1 . . . . . . . . 4683 1 1843 . 1 1 170 170 PHE N N 15 121.432 0.10 . 1 . . . . . . . . 4683 1 1844 . 1 1 170 170 PHE H H 1 8.715 0.05 . 1 . . . . . . . . 4683 1 1845 . 1 1 170 170 PHE CA C 13 56.800 0.10 . 1 . . . . . . . . 4683 1 1846 . 1 1 170 170 PHE HA H 1 4.670 0.05 . 1 . . . . . . . . 4683 1 1847 . 1 1 170 170 PHE CB C 13 38.562 0.10 . 1 . . . . . . . . 4683 1 1848 . 1 1 170 170 PHE HB2 H 1 3.189 0.05 . 1 . . . . . . . . 4683 1 1849 . 1 1 170 170 PHE HB3 H 1 2.792 0.05 . 1 . . . . . . . . 4683 1 1850 . 1 1 170 170 PHE HD1 H 1 7.344 0.05 . 1 . . . . . . . . 4683 1 1851 . 1 1 170 170 PHE HE1 H 1 7.345 0.05 . 1 . . . . . . . . 4683 1 1852 . 1 1 170 170 PHE HE2 H 1 7.286 0.05 . 1 . . . . . . . . 4683 1 1853 . 1 1 170 170 PHE HD2 H 1 7.288 0.05 . 1 . . . . . . . . 4683 1 1854 . 1 1 171 171 PRO CA C 13 62.990 0.10 . 1 . . . . . . . . 4683 1 1855 . 1 1 171 171 PRO HA H 1 4.391 0.05 . 1 . . . . . . . . 4683 1 1856 . 1 1 171 171 PRO CB C 13 32.050 0.10 . 1 . . . . . . . . 4683 1 1857 . 1 1 171 171 PRO HB2 H 1 2.305 0.05 . 1 . . . . . . . . 4683 1 1858 . 1 1 171 171 PRO HB3 H 1 1.945 0.05 . 1 . . . . . . . . 4683 1 1859 . 1 1 171 171 PRO CG C 13 27.222 0.10 . 1 . . . . . . . . 4683 1 1860 . 1 1 171 171 PRO HG2 H 1 2.045 0.05 . 1 . . . . . . . . 4683 1 1861 . 1 1 171 171 PRO HG3 H 1 2.041 0.05 . 1 . . . . . . . . 4683 1 1862 . 1 1 171 171 PRO CD C 13 50.407 0.10 . 1 . . . . . . . . 4683 1 1863 . 1 1 171 171 PRO HD2 H 1 3.888 0.05 . 1 . . . . . . . . 4683 1 1864 . 1 1 171 171 PRO HD3 H 1 3.740 0.05 . 1 . . . . . . . . 4683 1 stop_ save_