data_5940 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 5940 _Entry.Title ; 1H, 15N and 13C backbone assignment of the carboxyl terminal domain of the cytokine binding module of the interleukin-6 receptor (IL-6R) ; _Entry.Type . _Entry.Version_type original _Entry.Submission_date 2003-09-09 _Entry.Accession_date 2003-09-09 _Entry.Last_release_date . _Entry.Original_release_date . _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 Andreas Schwantner . . . 5940 2 Andrew Dingley . J . 5940 3 Suat Ozbek . . . 5940 4 Stefan Rose-John . . . 5940 5 Joachim Grotzinger . . . 5940 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 5940 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '1H chemical shifts' 360 5940 '13C chemical shifts' 393 5940 '15N chemical shifts' 103 5940 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 . . 2004-07-06 . update BMRB 'Entry citation updated' 5940 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 5940 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID . _Citation.Full_citation . _Citation.Title ; Letter to the Editor: 1H, 15N, 13C Backbone Assignment of the Carboxyl Terminal Domain of the Cytokine Binding Module of the Interleukin-6 Receptor ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'J. Biomol. NMR' _Citation.Journal_name_full . _Citation.Journal_volume 29 _Citation.Journal_issue 3 _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 407 _Citation.Page_last 408 _Citation.Year 2004 _Citation.Details . loop_ _Citation_author.Ordinal _Citation_author.Given_name _Citation_author.Family_name _Citation_author.First_initial _Citation_author.Middle_initials _Citation_author.Family_title _Citation_author.Entry_ID _Citation_author.Citation_ID 1 Andreas Schwantner . . . 5940 1 2 Andrew Dingley . J. . 5940 1 3 Suat Ozbek . . . 5940 1 4 Oliver Hecht . . . 5940 1 5 Stefan Rose-John . . . 5940 1 6 Joachim Grotzinger . . . 5940 1 stop_ loop_ _Citation_keyword.Keyword _Citation_keyword.Entry_ID _Citation_keyword.Citation_ID '3D NMR' 5940 1 'backbone assignment' 5940 1 IL-6R 5940 1 'cytokine receptor' 5940 1 'FN III domain' 5940 1 stop_ save_ save_citation_1 _Citation.Sf_category citations _Citation.Sf_framecode citation_1 _Citation.Entry_ID 5940 _Citation.ID 2 _Citation.Class 'reference citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 14557255 _Citation.Full_citation . _Citation.Title ; Direct determination of the interleukin-6 binding epitope of the interleukin-6 receptor by NMR spectroscopy ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'J. Biol. Chem.' _Citation.Journal_name_full . _Citation.Journal_volume 279 _Citation.Journal_issue 1 _Citation.Journal_ASTM . _Citation.Journal_ISSN . _Citation.Journal_CSD . _Citation.Book_title . _Citation.Book_chapter_title . _Citation.Book_volume . _Citation.Book_series . _Citation.Book_publisher . _Citation.Book_publisher_city . _Citation.Book_ISBN . _Citation.Conference_title . _Citation.Conference_site . _Citation.Conference_state_province . _Citation.Conference_country . _Citation.Conference_start_date . _Citation.Conference_end_date . _Citation.Conference_abstract_number . _Citation.Thesis_institution . _Citation.Thesis_institution_city . _Citation.Thesis_institution_country . _Citation.WWW_URL . _Citation.Page_first 571 _Citation.Page_last 576 _Citation.Year 2004 _Citation.Details . loop_ _Citation_author.Ordinal _Citation_author.Given_name _Citation_author.Family_name _Citation_author.First_initial _Citation_author.Middle_initials _Citation_author.Family_title _Citation_author.Entry_ID _Citation_author.Citation_ID 1 Andreas Schwantner . . . 5940 2 2 Andrew Dingley . J. . 5940 2 3 Suat Ozbek . . . 5940 2 4 Stefan Rose-John . . . 5940 2 5 Joachim Grotzinger . . . 5940 2 stop_ loop_ _Citation_keyword.Keyword _Citation_keyword.Entry_ID _Citation_keyword.Citation_ID '3D NMR' 5940 2 'backbone assignment' 5940 2 IL-6R 5940 2 'cytokine receptor' 5940 2 'FN III domain' 5940 2 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_system_IL-6R _Assembly.Sf_category assembly _Assembly.Sf_framecode system_IL-6R _Assembly.Entry_ID 5940 _Assembly.ID 1 _Assembly.Name 'third domain of the interleukin-6 receptor' _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 5940 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 'interleukin-6 receptor' 1 $IL-6R-D3 . . . native . . . . . 5940 1 stop_ loop_ _Assembly_common_name.Name _Assembly_common_name.Type _Assembly_common_name.Entry_ID _Assembly_common_name.Assembly_ID 'third domain of the interleukin-6 receptor' system 5940 1 IL-6R abbreviation 5940 1 stop_ loop_ _Assembly_bio_function.Biological_function _Assembly_bio_function.Entry_ID _Assembly_bio_function.Assembly_ID 'binds interleukin-6' 5940 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_IL-6R-D3 _Entity.Sf_category entity _Entity.Sf_framecode IL-6R-D3 _Entity.Entry_ID 5940 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name 'interleukin-6 receptor' _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 ; MGILQPDPPANITVTAVARN PRWLSVTWQDPHSWNSSFYR LRFELRYRAERSKTFTTWMV KDLQHHCVIHDAWSGLRHVV QLRAQEEFGQGEWSEWSPEA MGTPWTESRSPPAENEVSTP MQALTT ; _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 126 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic . _Entity.Thiol_state 'all free' _Entity.Src_method . _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 14500 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date 2015-01-28 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 PDB 1N26 . "Crystal Structure Of The Extra-Cellular Domains Of Human Interleukin-6 Receptor Alpha Chain" . . . . . 100.00 325 99.21 99.21 3.38e-85 . . . . 5940 1 2 no PDB 1P9M . "Crystal Structure Of The Hexameric Human Il-6/il-6 Alpha Receptor/gp130 Complex" . . . . . 83.33 201 99.05 99.05 1.49e-71 . . . . 5940 1 3 no PDB 2ARW . "The Solution Structure Of The Membrane Proximal Cytokine Receptor Domain Of The Human Interleukin-6 Receptor" . . . . . 100.00 126 100.00 100.00 4.32e-87 . . . . 5940 1 4 no DBJ BAD97302 . "interleukin 6 receptor isoform 1 precursor variant [Homo sapiens]" . . . . . 99.21 468 100.00 100.00 3.65e-84 . . . . 5940 1 5 no DBJ BAF85702 . "unnamed protein product [Homo sapiens]" . . . . . 100.00 365 99.21 99.21 3.73e-85 . . . . 5940 1 6 no DBJ BAG35601 . "unnamed protein product [Homo sapiens]" . . . . . 99.21 468 100.00 100.00 3.61e-84 . . . . 5940 1 7 no DBJ BAI46031 . "interleukin 6 receptor [synthetic construct]" . . . . . 99.21 468 100.00 100.00 3.69e-84 . . . . 5940 1 8 no EMBL CAA31312 . "IL-6 receptor precursor (AA -19 to 449) [Homo sapiens]" . . . . . 99.21 468 100.00 100.00 3.69e-84 . . . . 5940 1 9 no EMBL CAA41231 . "interleukin-6-receptor [Homo sapiens]" . . . . . 99.21 468 100.00 100.00 3.69e-84 . . . . 5940 1 10 no GB AAH89410 . "Interleukin 6 receptor [Homo sapiens]" . . . . . 100.00 365 99.21 99.21 3.73e-85 . . . . 5940 1 11 no GB AAI32685 . "Interleukin 6 receptor [Homo sapiens]" . . . . . 99.21 468 100.00 100.00 3.69e-84 . . . . 5940 1 12 no GB AAI32687 . "Interleukin 6 receptor [Homo sapiens]" . . . . . 99.21 468 100.00 100.00 3.69e-84 . . . . 5940 1 13 no GB AAX36842 . "interleukin 6 receptor [synthetic construct]" . . . . . 99.21 469 100.00 100.00 3.55e-84 . . . . 5940 1 14 no GB ABK41906 . "interleukin 6 receptor [Homo sapiens]" . . . . . 99.21 468 100.00 100.00 3.69e-84 . . . . 5940 1 15 no PRF 1502360A . "interleukin 6 receptor" . . . . . 99.21 468 99.20 99.20 3.01e-83 . . . . 5940 1 16 no REF NP_000556 . "interleukin-6 receptor subunit alpha isoform 1 precursor [Homo sapiens]" . . . . . 99.21 468 100.00 100.00 3.69e-84 . . . . 5940 1 17 no REF NP_852004 . "interleukin-6 receptor subunit alpha isoform 2 precursor [Homo sapiens]" . . . . . 100.00 365 99.21 99.21 3.73e-85 . . . . 5940 1 18 no REF XP_001114404 . "PREDICTED: interleukin-6 receptor subunit alpha [Macaca mulatta]" . . . . . 100.00 468 97.62 97.62 4.06e-82 . . . . 5940 1 19 no REF XP_002810148 . "PREDICTED: interleukin-6 receptor subunit alpha isoform X2 [Pongo abelii]" . . . . . 99.21 468 100.00 100.00 4.78e-84 . . . . 5940 1 20 no REF XP_003308452 . "PREDICTED: interleukin-6 receptor subunit alpha isoform X6 [Pan troglodytes]" . . . . . 100.00 365 98.41 98.41 2.89e-84 . . . . 5940 1 21 no SP P08887 . "RecName: Full=Interleukin-6 receptor subunit alpha; Short=IL-6 receptor subunit alpha; Short=IL-6R subunit alpha; Short=IL-6R-a" . . . . . 99.21 468 100.00 100.00 3.69e-84 . . . . 5940 1 stop_ loop_ _Entity_common_name.Name _Entity_common_name.Type _Entity_common_name.Entry_ID _Entity_common_name.Entity_ID 'interleukin-6 receptor' common 5940 1 IL-6R-D3 variant 5940 1 IL-6R-D3 abbreviation 5940 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 . MET . 5940 1 2 . GLY . 5940 1 3 . ILE . 5940 1 4 . LEU . 5940 1 5 . GLN . 5940 1 6 . PRO . 5940 1 7 . ASP . 5940 1 8 . PRO . 5940 1 9 . PRO . 5940 1 10 . ALA . 5940 1 11 . ASN . 5940 1 12 . ILE . 5940 1 13 . THR . 5940 1 14 . VAL . 5940 1 15 . THR . 5940 1 16 . ALA . 5940 1 17 . VAL . 5940 1 18 . ALA . 5940 1 19 . ARG . 5940 1 20 . ASN . 5940 1 21 . PRO . 5940 1 22 . ARG . 5940 1 23 . TRP . 5940 1 24 . LEU . 5940 1 25 . SER . 5940 1 26 . VAL . 5940 1 27 . THR . 5940 1 28 . TRP . 5940 1 29 . GLN . 5940 1 30 . ASP . 5940 1 31 . PRO . 5940 1 32 . HIS . 5940 1 33 . SER . 5940 1 34 . TRP . 5940 1 35 . ASN . 5940 1 36 . SER . 5940 1 37 . SER . 5940 1 38 . PHE . 5940 1 39 . TYR . 5940 1 40 . ARG . 5940 1 41 . LEU . 5940 1 42 . ARG . 5940 1 43 . PHE . 5940 1 44 . GLU . 5940 1 45 . LEU . 5940 1 46 . ARG . 5940 1 47 . TYR . 5940 1 48 . ARG . 5940 1 49 . ALA . 5940 1 50 . GLU . 5940 1 51 . ARG . 5940 1 52 . SER . 5940 1 53 . LYS . 5940 1 54 . THR . 5940 1 55 . PHE . 5940 1 56 . THR . 5940 1 57 . THR . 5940 1 58 . TRP . 5940 1 59 . MET . 5940 1 60 . VAL . 5940 1 61 . LYS . 5940 1 62 . ASP . 5940 1 63 . LEU . 5940 1 64 . GLN . 5940 1 65 . HIS . 5940 1 66 . HIS . 5940 1 67 . CYS . 5940 1 68 . VAL . 5940 1 69 . ILE . 5940 1 70 . HIS . 5940 1 71 . ASP . 5940 1 72 . ALA . 5940 1 73 . TRP . 5940 1 74 . SER . 5940 1 75 . GLY . 5940 1 76 . LEU . 5940 1 77 . ARG . 5940 1 78 . HIS . 5940 1 79 . VAL . 5940 1 80 . VAL . 5940 1 81 . GLN . 5940 1 82 . LEU . 5940 1 83 . ARG . 5940 1 84 . ALA . 5940 1 85 . GLN . 5940 1 86 . GLU . 5940 1 87 . GLU . 5940 1 88 . PHE . 5940 1 89 . GLY . 5940 1 90 . GLN . 5940 1 91 . GLY . 5940 1 92 . GLU . 5940 1 93 . TRP . 5940 1 94 . SER . 5940 1 95 . GLU . 5940 1 96 . TRP . 5940 1 97 . SER . 5940 1 98 . PRO . 5940 1 99 . GLU . 5940 1 100 . ALA . 5940 1 101 . MET . 5940 1 102 . GLY . 5940 1 103 . THR . 5940 1 104 . PRO . 5940 1 105 . TRP . 5940 1 106 . THR . 5940 1 107 . GLU . 5940 1 108 . SER . 5940 1 109 . ARG . 5940 1 110 . SER . 5940 1 111 . PRO . 5940 1 112 . PRO . 5940 1 113 . ALA . 5940 1 114 . GLU . 5940 1 115 . ASN . 5940 1 116 . GLU . 5940 1 117 . VAL . 5940 1 118 . SER . 5940 1 119 . THR . 5940 1 120 . PRO . 5940 1 121 . MET . 5940 1 122 . GLN . 5940 1 123 . ALA . 5940 1 124 . LEU . 5940 1 125 . THR . 5940 1 126 . THR . 5940 1 stop_ loop_ _Entity_poly_seq.Hetero _Entity_poly_seq.Mon_ID _Entity_poly_seq.Num _Entity_poly_seq.Comp_index_ID _Entity_poly_seq.Entry_ID _Entity_poly_seq.Entity_ID . MET 1 1 5940 1 . GLY 2 2 5940 1 . ILE 3 3 5940 1 . LEU 4 4 5940 1 . GLN 5 5 5940 1 . PRO 6 6 5940 1 . ASP 7 7 5940 1 . PRO 8 8 5940 1 . PRO 9 9 5940 1 . ALA 10 10 5940 1 . ASN 11 11 5940 1 . ILE 12 12 5940 1 . THR 13 13 5940 1 . VAL 14 14 5940 1 . THR 15 15 5940 1 . ALA 16 16 5940 1 . VAL 17 17 5940 1 . ALA 18 18 5940 1 . ARG 19 19 5940 1 . ASN 20 20 5940 1 . PRO 21 21 5940 1 . ARG 22 22 5940 1 . TRP 23 23 5940 1 . LEU 24 24 5940 1 . SER 25 25 5940 1 . VAL 26 26 5940 1 . THR 27 27 5940 1 . TRP 28 28 5940 1 . GLN 29 29 5940 1 . ASP 30 30 5940 1 . PRO 31 31 5940 1 . HIS 32 32 5940 1 . SER 33 33 5940 1 . TRP 34 34 5940 1 . ASN 35 35 5940 1 . SER 36 36 5940 1 . SER 37 37 5940 1 . PHE 38 38 5940 1 . TYR 39 39 5940 1 . ARG 40 40 5940 1 . LEU 41 41 5940 1 . ARG 42 42 5940 1 . PHE 43 43 5940 1 . GLU 44 44 5940 1 . LEU 45 45 5940 1 . ARG 46 46 5940 1 . TYR 47 47 5940 1 . ARG 48 48 5940 1 . ALA 49 49 5940 1 . GLU 50 50 5940 1 . ARG 51 51 5940 1 . SER 52 52 5940 1 . LYS 53 53 5940 1 . THR 54 54 5940 1 . PHE 55 55 5940 1 . THR 56 56 5940 1 . THR 57 57 5940 1 . TRP 58 58 5940 1 . MET 59 59 5940 1 . VAL 60 60 5940 1 . LYS 61 61 5940 1 . ASP 62 62 5940 1 . LEU 63 63 5940 1 . GLN 64 64 5940 1 . HIS 65 65 5940 1 . HIS 66 66 5940 1 . CYS 67 67 5940 1 . VAL 68 68 5940 1 . ILE 69 69 5940 1 . HIS 70 70 5940 1 . ASP 71 71 5940 1 . ALA 72 72 5940 1 . TRP 73 73 5940 1 . SER 74 74 5940 1 . GLY 75 75 5940 1 . LEU 76 76 5940 1 . ARG 77 77 5940 1 . HIS 78 78 5940 1 . VAL 79 79 5940 1 . VAL 80 80 5940 1 . GLN 81 81 5940 1 . LEU 82 82 5940 1 . ARG 83 83 5940 1 . ALA 84 84 5940 1 . GLN 85 85 5940 1 . GLU 86 86 5940 1 . GLU 87 87 5940 1 . PHE 88 88 5940 1 . GLY 89 89 5940 1 . GLN 90 90 5940 1 . GLY 91 91 5940 1 . GLU 92 92 5940 1 . TRP 93 93 5940 1 . SER 94 94 5940 1 . GLU 95 95 5940 1 . TRP 96 96 5940 1 . SER 97 97 5940 1 . PRO 98 98 5940 1 . GLU 99 99 5940 1 . ALA 100 100 5940 1 . MET 101 101 5940 1 . GLY 102 102 5940 1 . THR 103 103 5940 1 . PRO 104 104 5940 1 . TRP 105 105 5940 1 . THR 106 106 5940 1 . GLU 107 107 5940 1 . SER 108 108 5940 1 . ARG 109 109 5940 1 . SER 110 110 5940 1 . PRO 111 111 5940 1 . PRO 112 112 5940 1 . ALA 113 113 5940 1 . GLU 114 114 5940 1 . ASN 115 115 5940 1 . GLU 116 116 5940 1 . VAL 117 117 5940 1 . SER 118 118 5940 1 . THR 119 119 5940 1 . PRO 120 120 5940 1 . MET 121 121 5940 1 . GLN 122 122 5940 1 . ALA 123 123 5940 1 . LEU 124 124 5940 1 . THR 125 125 5940 1 . THR 126 126 5940 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 5940 _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 $IL-6R-D3 . 9606 . . 'Homo sapiens' Human . . Eukaryota Metazoa Homo sapiens . . . . . . . . . . . . . . . . . . . . . 5940 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 5940 _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 $IL-6R-D3 . 'recombinant technology' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 5940 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 5940 _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 'interleukin-6 receptor' '[U-95% 13C; U-90% 15N]' . . 1 $IL-6R-D3 . . 1.0 . . mM . . . . 5940 1 stop_ save_ ####################### # Sample conditions # ####################### save_condition_1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode condition_1 _Sample_condition_list.Entry_ID 5940 _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 5.0 0.1 n/a 5940 1 temperature 293 0.1 K 5940 1 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_NMR_spectrometer _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer _NMR_spectrometer.Entry_ID 5940 _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_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode spectrometer_list _NMR_spectrometer_list.Entry_ID 5940 _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 NMR_spectrometer Varian INOVA . 600 . . . 5940 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 5940 _Experiment_list.ID 1 _Experiment_list.Details . 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 5940 _Chem_shift_reference.ID 1 _Chem_shift_reference.Details . loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Indirect_shift_ratio_cit_ID _Chem_shift_ref.Indirect_shift_ratio_cit_label _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Correction_val_cit_ID _Chem_shift_ref.Correction_val_cit_label _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID H 1 DSS 'methyl protons' . . . . ppm 0.0 internal direct 1.0 . . . . . . . . . 5940 1 N 15 DSS 'methyl protons' . . . . ppm 0.0 . indirect 0.101329118 . . . . . . . . . 5940 1 C 13 DSS 'methyl protons' . . . . ppm 0.0 . indirect 0.251449530 . . . . . . . . . 5940 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_chemical_shift_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode chemical_shift_1 _Assigned_chem_shift_list.Entry_ID 5940 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $condition_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 . 5940 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 2 2 GLY CA C 13 42.939 . . 1 . . . . . . . . 5940 1 2 . 1 1 2 2 GLY HA2 H 1 3.882 . . 2 . . . . . . . . 5940 1 3 . 1 1 2 2 GLY C C 13 170.475 . . 1 . . . . . . . . 5940 1 4 . 1 1 3 3 ILE N N 15 119.422 . . 1 . . . . . . . . 5940 1 5 . 1 1 3 3 ILE H H 1 8.535 . . 1 . . . . . . . . 5940 1 6 . 1 1 3 3 ILE CA C 13 61.303 . . 1 . . . . . . . . 5940 1 7 . 1 1 3 3 ILE HA H 1 4.180 . . 1 . . . . . . . . 5940 1 8 . 1 1 3 3 ILE CB C 13 39.004 . . 1 . . . . . . . . 5940 1 9 . 1 1 3 3 ILE HB H 1 1.794 . . 1 . . . . . . . . 5940 1 10 . 1 1 3 3 ILE CG1 C 13 27.242 . . 2 . . . . . . . . 5940 1 11 . 1 1 3 3 ILE CD1 C 13 13.196 . . 1 . . . . . . . . 5940 1 12 . 1 1 3 3 ILE CG2 C 13 17.605 . . 2 . . . . . . . . 5940 1 13 . 1 1 3 3 ILE C C 13 176.178 . . 1 . . . . . . . . 5940 1 14 . 1 1 4 4 LEU N N 15 125.326 . . 1 . . . . . . . . 5940 1 15 . 1 1 4 4 LEU H H 1 8.517 . . 1 . . . . . . . . 5940 1 16 . 1 1 4 4 LEU CA C 13 55.182 . . 1 . . . . . . . . 5940 1 17 . 1 1 4 4 LEU HA H 1 4.321 . . 1 . . . . . . . . 5940 1 18 . 1 1 4 4 LEU CB C 13 42.065 . . 1 . . . . . . . . 5940 1 19 . 1 1 4 4 LEU HB2 H 1 1.631 . . 2 . . . . . . . . 5940 1 20 . 1 1 4 4 LEU CG C 13 27.021 . . 1 . . . . . . . . 5940 1 21 . 1 1 4 4 LEU CD1 C 13 24.550 . . 2 . . . . . . . . 5940 1 22 . 1 1 4 4 LEU CD2 C 13 23.434 . . 2 . . . . . . . . 5940 1 23 . 1 1 4 4 LEU C C 13 175.840 . . 1 . . . . . . . . 5940 1 24 . 1 1 5 5 GLN N N 15 122.009 . . 1 . . . . . . . . 5940 1 25 . 1 1 5 5 GLN H H 1 8.117 . . 1 . . . . . . . . 5940 1 26 . 1 1 5 5 GLN CA C 13 52.996 . . 1 . . . . . . . . 5940 1 27 . 1 1 5 5 GLN CB C 13 29.822 . . 1 . . . . . . . . 5940 1 28 . 1 1 6 6 PRO CA C 13 63.489 . . 1 . . . . . . . . 5940 1 29 . 1 1 6 6 PRO HA H 1 4.392 . . 1 . . . . . . . . 5940 1 30 . 1 1 6 6 PRO CB C 13 32.008 . . 1 . . . . . . . . 5940 1 31 . 1 1 6 6 PRO HB3 H 1 2.266 . . 2 . . . . . . . . 5940 1 32 . 1 1 6 6 PRO HB2 H 1 1.962 . . 2 . . . . . . . . 5940 1 33 . 1 1 6 6 PRO CG C 13 27.253 . . 1 . . . . . . . . 5940 1 34 . 1 1 6 6 PRO CD C 13 51.204 . . 1 . . . . . . . . 5940 1 35 . 1 1 7 7 ASP N N 15 125.920 . . 1 . . . . . . . . 5940 1 36 . 1 1 7 7 ASP H H 1 8.073 . . 1 . . . . . . . . 5940 1 37 . 1 1 7 7 ASP CA C 13 56.931 . . 1 . . . . . . . . 5940 1 38 . 1 1 7 7 ASP CB C 13 33.757 . . 1 . . . . . . . . 5940 1 39 . 1 1 9 9 PRO CA C 13 63.052 . . 1 . . . . . . . . 5940 1 40 . 1 1 9 9 PRO HA H 1 4.268 . . 1 . . . . . . . . 5940 1 41 . 1 1 9 9 PRO CB C 13 32.446 . . 1 . . . . . . . . 5940 1 42 . 1 1 9 9 PRO HB3 H 1 2.312 . . 2 . . . . . . . . 5940 1 43 . 1 1 9 9 PRO HB2 H 1 1.630 . . 2 . . . . . . . . 5940 1 44 . 1 1 9 9 PRO CG C 13 28.927 . . 1 . . . . . . . . 5940 1 45 . 1 1 9 9 PRO CD C 13 49.580 . . 1 . . . . . . . . 5940 1 46 . 1 1 9 9 PRO C C 13 172.645 . . 1 . . . . . . . . 5940 1 47 . 1 1 10 10 ALA N N 15 120.974 . . 1 . . . . . . . . 5940 1 48 . 1 1 10 10 ALA H H 1 7.804 . . 1 . . . . . . . . 5940 1 49 . 1 1 10 10 ALA CA C 13 50.372 . . 1 . . . . . . . . 5940 1 50 . 1 1 10 10 ALA HA H 1 4.745 . . 1 . . . . . . . . 5940 1 51 . 1 1 10 10 ALA CB C 13 23.264 . . 1 . . . . . . . . 5940 1 52 . 1 1 10 10 ALA HB1 H 1 1.317 . . 1 . . . . . . . . 5940 1 53 . 1 1 10 10 ALA HB2 H 1 1.317 . . 1 . . . . . . . . 5940 1 54 . 1 1 10 10 ALA HB3 H 1 1.317 . . 1 . . . . . . . . 5940 1 55 . 1 1 10 10 ALA C C 13 176.386 . . 1 . . . . . . . . 5940 1 56 . 1 1 11 11 ASN N N 15 115.682 . . 1 . . . . . . . . 5940 1 57 . 1 1 11 11 ASN H H 1 8.882 . . 1 . . . . . . . . 5940 1 58 . 1 1 11 11 ASN CA C 13 53.870 . . 1 . . . . . . . . 5940 1 59 . 1 1 11 11 ASN HA H 1 4.309 . . 1 . . . . . . . . 5940 1 60 . 1 1 11 11 ASN CB C 13 37.255 . . 1 . . . . . . . . 5940 1 61 . 1 1 11 11 ASN HB3 H 1 2.965 . . 2 . . . . . . . . 5940 1 62 . 1 1 11 11 ASN HB2 H 1 2.486 . . 2 . . . . . . . . 5940 1 63 . 1 1 11 11 ASN C C 13 174.111 . . 1 . . . . . . . . 5940 1 64 . 1 1 12 12 ILE N N 15 119.315 . . 1 . . . . . . . . 5940 1 65 . 1 1 12 12 ILE H H 1 8.295 . . 1 . . . . . . . . 5940 1 66 . 1 1 12 12 ILE CA C 13 62.178 . . 1 . . . . . . . . 5940 1 67 . 1 1 12 12 ILE HA H 1 4.745 . . 1 . . . . . . . . 5940 1 68 . 1 1 12 12 ILE CB C 13 37.692 . . 1 . . . . . . . . 5940 1 69 . 1 1 12 12 ILE HB H 1 1.754 . . 1 . . . . . . . . 5940 1 70 . 1 1 12 12 ILE CG1 C 13 28.889 . . 2 . . . . . . . . 5940 1 71 . 1 1 12 12 ILE CD1 C 13 15.388 . . 1 . . . . . . . . 5940 1 72 . 1 1 12 12 ILE CG2 C 13 18.518 . . 2 . . . . . . . . 5940 1 73 . 1 1 12 12 ILE C C 13 177.774 . . 1 . . . . . . . . 5940 1 74 . 1 1 13 13 THR N N 15 121.832 . . 1 . . . . . . . . 5940 1 75 . 1 1 13 13 THR H H 1 9.301 . . 1 . . . . . . . . 5940 1 76 . 1 1 13 13 THR CA C 13 60.866 . . 1 . . . . . . . . 5940 1 77 . 1 1 13 13 THR HA H 1 4.668 . . 1 . . . . . . . . 5940 1 78 . 1 1 13 13 THR CB C 13 71.360 . . 1 . . . . . . . . 5940 1 79 . 1 1 13 13 THR HB H 1 4.101 . . 1 . . . . . . . . 5940 1 80 . 1 1 13 13 THR CG2 C 13 21.310 . . 1 . . . . . . . . 5940 1 81 . 1 1 13 13 THR C C 13 173.147 . . 1 . . . . . . . . 5940 1 82 . 1 1 14 14 VAL N N 15 126.283 . . 1 . . . . . . . . 5940 1 83 . 1 1 14 14 VAL H H 1 8.915 . . 1 . . . . . . . . 5940 1 84 . 1 1 14 14 VAL CA C 13 60.876 . . 1 . . . . . . . . 5940 1 85 . 1 1 14 14 VAL HA H 1 4.965 . . 1 . . . . . . . . 5940 1 86 . 1 1 14 14 VAL CB C 13 32.883 . . 1 . . . . . . . . 5940 1 87 . 1 1 14 14 VAL HB H 1 1.979 . . 1 . . . . . . . . 5940 1 88 . 1 1 14 14 VAL CG2 C 13 23.027 . . 2 . . . . . . . . 5940 1 89 . 1 1 14 14 VAL CG1 C 13 21.203 . . 2 . . . . . . . . 5940 1 90 . 1 1 14 14 VAL C C 13 175.571 . . 1 . . . . . . . . 5940 1 91 . 1 1 15 15 THR N N 15 118.697 . . 1 . . . . . . . . 5940 1 92 . 1 1 15 15 THR H H 1 9.349 . . 1 . . . . . . . . 5940 1 93 . 1 1 15 15 THR CA C 13 60.429 . . 1 . . . . . . . . 5940 1 94 . 1 1 15 15 THR HA H 1 4.883 . . 1 . . . . . . . . 5940 1 95 . 1 1 15 15 THR CB C 13 72.234 . . 1 . . . . . . . . 5940 1 96 . 1 1 15 15 THR HB H 1 4.232 . . 1 . . . . . . . . 5940 1 97 . 1 1 15 15 THR CG2 C 13 21.637 . . 1 . . . . . . . . 5940 1 98 . 1 1 15 15 THR C C 13 173.264 . . 1 . . . . . . . . 5940 1 99 . 1 1 16 16 ALA N N 15 124.445 . . 1 . . . . . . . . 5940 1 100 . 1 1 16 16 ALA H H 1 8.673 . . 1 . . . . . . . . 5940 1 101 . 1 1 16 16 ALA CA C 13 52.559 . . 1 . . . . . . . . 5940 1 102 . 1 1 16 16 ALA HA H 1 4.408 . . 1 . . . . . . . . 5940 1 103 . 1 1 16 16 ALA CB C 13 20.203 . . 1 . . . . . . . . 5940 1 104 . 1 1 16 16 ALA HB1 H 1 1.685 . . 1 . . . . . . . . 5940 1 105 . 1 1 16 16 ALA HB2 H 1 1.685 . . 1 . . . . . . . . 5940 1 106 . 1 1 16 16 ALA HB3 H 1 1.685 . . 1 . . . . . . . . 5940 1 107 . 1 1 17 17 VAL N N 15 122.526 . . 1 . . . . . . . . 5940 1 108 . 1 1 17 17 VAL H H 1 9.771 . . 1 . . . . . . . . 5940 1 109 . 1 1 17 17 VAL CA C 13 61.741 . . 1 . . . . . . . . 5940 1 110 . 1 1 17 17 VAL HA H 1 4.137 . . 1 . . . . . . . . 5940 1 111 . 1 1 17 17 VAL CB C 13 33.320 . . 1 . . . . . . . . 5940 1 112 . 1 1 17 17 VAL HB H 1 2.097 . . 1 . . . . . . . . 5940 1 113 . 1 1 17 17 VAL CG2 C 13 20.989 . . 2 . . . . . . . . 5940 1 114 . 1 1 17 17 VAL CG1 C 13 17.826 . . 2 . . . . . . . . 5940 1 115 . 1 1 17 17 VAL C C 13 174.841 . . 1 . . . . . . . . 5940 1 116 . 1 1 18 18 ALA N N 15 129.004 . . 1 . . . . . . . . 5940 1 117 . 1 1 18 18 ALA H H 1 8.568 . . 1 . . . . . . . . 5940 1 118 . 1 1 18 18 ALA CA C 13 53.870 . . 1 . . . . . . . . 5940 1 119 . 1 1 18 18 ALA CB C 13 17.580 . . 1 . . . . . . . . 5940 1 120 . 1 1 24 24 LEU CA C 13 53.870 . . 1 . . . . . . . . 5940 1 121 . 1 1 24 24 LEU HA H 1 4.703 . . 1 . . . . . . . . 5940 1 122 . 1 1 24 24 LEU CB C 13 47.312 . . 1 . . . . . . . . 5940 1 123 . 1 1 24 24 LEU HB3 H 1 1.263 . . 2 . . . . . . . . 5940 1 124 . 1 1 24 24 LEU HB2 H 1 0.923 . . 2 . . . . . . . . 5940 1 125 . 1 1 24 24 LEU CG C 13 26.310 . . 1 . . . . . . . . 5940 1 126 . 1 1 24 24 LEU CD1 C 13 24.797 . . 2 . . . . . . . . 5940 1 127 . 1 1 24 24 LEU CD2 C 13 24.526 . . 1 . . . . . . . . 5940 1 128 . 1 1 24 24 LEU C C 13 174.731 . . 1 . . . . . . . . 5940 1 129 . 1 1 25 25 SER N N 15 117.485 . . 1 . . . . . . . . 5940 1 130 . 1 1 25 25 SER H H 1 9.428 . . 1 . . . . . . . . 5940 1 131 . 1 1 25 25 SER CA C 13 56.931 . . 1 . . . . . . . . 5940 1 132 . 1 1 25 25 SER HA H 1 4.830 . . 1 . . . . . . . . 5940 1 133 . 1 1 25 25 SER CB C 13 63.052 . . 1 . . . . . . . . 5940 1 134 . 1 1 25 25 SER HB3 H 1 3.968 . . 2 . . . . . . . . 5940 1 135 . 1 1 25 25 SER HB2 H 1 3.622 . . 2 . . . . . . . . 5940 1 136 . 1 1 26 26 VAL N N 15 130.084 . . 1 . . . . . . . . 5940 1 137 . 1 1 26 26 VAL H H 1 9.121 . . 1 . . . . . . . . 5940 1 138 . 1 1 26 26 VAL CA C 13 61.303 . . 1 . . . . . . . . 5940 1 139 . 1 1 26 26 VAL HA H 1 5.351 . . 1 . . . . . . . . 5940 1 140 . 1 1 26 26 VAL CB C 13 34.195 . . 1 . . . . . . . . 5940 1 141 . 1 1 26 26 VAL HB H 1 2.361 . . 1 . . . . . . . . 5940 1 142 . 1 1 26 26 VAL CG2 C 13 22.426 . . 2 . . . . . . . . 5940 1 143 . 1 1 26 26 VAL CG1 C 13 21.222 . . 2 . . . . . . . . 5940 1 144 . 1 1 26 26 VAL C C 13 175.449 . . 1 . . . . . . . . 5940 1 145 . 1 1 27 27 THR N N 15 119.335 . . 1 . . . . . . . . 5940 1 146 . 1 1 27 27 THR H H 1 8.868 . . 1 . . . . . . . . 5940 1 147 . 1 1 27 27 THR CA C 13 61.185 . . 1 . . . . . . . . 5940 1 148 . 1 1 27 27 THR HA H 1 4.969 . . 1 . . . . . . . . 5940 1 149 . 1 1 27 27 THR CB C 13 71.797 . . 1 . . . . . . . . 5940 1 150 . 1 1 27 27 THR HB H 1 4.148 . . 1 . . . . . . . . 5940 1 151 . 1 1 27 27 THR CG2 C 13 21.492 . . 1 . . . . . . . . 5940 1 152 . 1 1 27 27 THR C C 13 172.685 . . 1 . . . . . . . . 5940 1 153 . 1 1 28 28 TRP N N 15 117.925 . . 1 . . . . . . . . 5940 1 154 . 1 1 28 28 TRP H H 1 7.571 . . 1 . . . . . . . . 5940 1 155 . 1 1 28 28 TRP CA C 13 56.931 . . 1 . . . . . . . . 5940 1 156 . 1 1 28 28 TRP HA H 1 5.094 . . 1 . . . . . . . . 5940 1 157 . 1 1 28 28 TRP CB C 13 31.134 . . 1 . . . . . . . . 5940 1 158 . 1 1 28 28 TRP HB3 H 1 3.389 . . 2 . . . . . . . . 5940 1 159 . 1 1 28 28 TRP HB2 H 1 2.964 . . 2 . . . . . . . . 5940 1 160 . 1 1 28 28 TRP C C 13 173.152 . . 1 . . . . . . . . 5940 1 161 . 1 1 29 29 GLN N N 15 115.091 . . 1 . . . . . . . . 5940 1 162 . 1 1 29 29 GLN H H 1 8.926 . . 1 . . . . . . . . 5940 1 163 . 1 1 29 29 GLN CA C 13 53.433 . . 1 . . . . . . . . 5940 1 164 . 1 1 29 29 GLN HA H 1 4.708 . . 1 . . . . . . . . 5940 1 165 . 1 1 29 29 GLN CB C 13 33.129 . . 1 . . . . . . . . 5940 1 166 . 1 1 29 29 GLN HB3 H 1 2.265 . . 2 . . . . . . . . 5940 1 167 . 1 1 29 29 GLN HB2 H 1 1.800 . . 2 . . . . . . . . 5940 1 168 . 1 1 29 29 GLN CG C 13 34.049 . . 1 . . . . . . . . 5940 1 169 . 1 1 29 29 GLN C C 13 176.475 . . 1 . . . . . . . . 5940 1 170 . 1 1 30 30 ASP N N 15 120.976 . . 1 . . . . . . . . 5940 1 171 . 1 1 30 30 ASP H H 1 8.889 . . 1 . . . . . . . . 5940 1 172 . 1 1 30 30 ASP CA C 13 53.870 . . 1 . . . . . . . . 5940 1 173 . 1 1 30 30 ASP CB C 13 39.004 . . 1 . . . . . . . . 5940 1 174 . 1 1 31 31 PRO CA C 13 62.615 . . 1 . . . . . . . . 5940 1 175 . 1 1 31 31 PRO HA H 1 4.451 . . 1 . . . . . . . . 5940 1 176 . 1 1 31 31 PRO CB C 13 31.954 . . 1 . . . . . . . . 5940 1 177 . 1 1 31 31 PRO HB3 H 1 2.391 . . 2 . . . . . . . . 5940 1 178 . 1 1 31 31 PRO HB2 H 1 2.044 . . 2 . . . . . . . . 5940 1 179 . 1 1 31 31 PRO CG C 13 27.388 . . 1 . . . . . . . . 5940 1 180 . 1 1 31 31 PRO CD C 13 50.147 . . 1 . . . . . . . . 5940 1 181 . 1 1 31 31 PRO C C 13 178.735 . . 1 . . . . . . . . 5940 1 182 . 1 1 32 32 HIS N N 15 121.381 . . 1 . . . . . . . . 5940 1 183 . 1 1 32 32 HIS H H 1 9.132 . . 1 . . . . . . . . 5940 1 184 . 1 1 32 32 HIS CA C 13 57.805 . . 1 . . . . . . . . 5940 1 185 . 1 1 32 32 HIS HA H 1 4.482 . . 1 . . . . . . . . 5940 1 186 . 1 1 32 32 HIS CB C 13 28.073 . . 1 . . . . . . . . 5940 1 187 . 1 1 32 32 HIS HB3 H 1 3.476 . . 2 . . . . . . . . 5940 1 188 . 1 1 32 32 HIS HB2 H 1 3.310 . . 2 . . . . . . . . 5940 1 189 . 1 1 32 32 HIS C C 13 175.340 . . 1 . . . . . . . . 5940 1 190 . 1 1 33 33 SER N N 15 109.673 . . 1 . . . . . . . . 5940 1 191 . 1 1 33 33 SER H H 1 8.186 . . 1 . . . . . . . . 5940 1 192 . 1 1 33 33 SER CA C 13 57.680 . . 1 . . . . . . . . 5940 1 193 . 1 1 33 33 SER HA H 1 4.315 . . 1 . . . . . . . . 5940 1 194 . 1 1 33 33 SER CB C 13 63.052 . . 1 . . . . . . . . 5940 1 195 . 1 1 33 33 SER HB3 H 1 4.186 . . 2 . . . . . . . . 5940 1 196 . 1 1 33 33 SER HB2 H 1 3.927 . . 2 . . . . . . . . 5940 1 197 . 1 1 33 33 SER C C 13 174.650 . . 1 . . . . . . . . 5940 1 198 . 1 1 34 34 TRP N N 15 124.086 . . 1 . . . . . . . . 5940 1 199 . 1 1 34 34 TRP H H 1 7.798 . . 1 . . . . . . . . 5940 1 200 . 1 1 34 34 TRP CA C 13 57.368 . . 1 . . . . . . . . 5940 1 201 . 1 1 34 34 TRP HA H 1 4.571 . . 1 . . . . . . . . 5940 1 202 . 1 1 34 34 TRP CB C 13 30.697 . . 1 . . . . . . . . 5940 1 203 . 1 1 34 34 TRP HB3 H 1 3.360 . . 2 . . . . . . . . 5940 1 204 . 1 1 34 34 TRP HB2 H 1 3.272 . . 2 . . . . . . . . 5940 1 205 . 1 1 34 34 TRP C C 13 175.313 . . 1 . . . . . . . . 5940 1 206 . 1 1 35 35 ASN N N 15 124.080 . . 1 . . . . . . . . 5940 1 207 . 1 1 35 35 ASN H H 1 7.533 . . 1 . . . . . . . . 5940 1 208 . 1 1 35 35 ASN CA C 13 52.121 . . 1 . . . . . . . . 5940 1 209 . 1 1 35 35 ASN HA H 1 4.750 . . 1 . . . . . . . . 5940 1 210 . 1 1 35 35 ASN CB C 13 38.130 . . 1 . . . . . . . . 5940 1 211 . 1 1 35 35 ASN HB2 H 1 2.578 . . 2 . . . . . . . . 5940 1 212 . 1 1 35 35 ASN C C 13 175.302 . . 1 . . . . . . . . 5940 1 213 . 1 1 36 36 SER N N 15 118.100 . . 1 . . . . . . . . 5940 1 214 . 1 1 36 36 SER H H 1 8.156 . . 1 . . . . . . . . 5940 1 215 . 1 1 36 36 SER CA C 13 59.117 . . 1 . . . . . . . . 5940 1 216 . 1 1 36 36 SER HA H 1 4.658 . . 1 . . . . . . . . 5940 1 217 . 1 1 36 36 SER CB C 13 63.489 . . 1 . . . . . . . . 5940 1 218 . 1 1 36 36 SER HB2 H 1 3.965 . . 2 . . . . . . . . 5940 1 219 . 1 1 36 36 SER C C 13 175.165 . . 1 . . . . . . . . 5940 1 220 . 1 1 37 37 SER N N 15 117.120 . . 1 . . . . . . . . 5940 1 221 . 1 1 37 37 SER H H 1 8.437 . . 1 . . . . . . . . 5940 1 222 . 1 1 37 37 SER CA C 13 59.992 . . 1 . . . . . . . . 5940 1 223 . 1 1 37 37 SER HA H 1 4.276 . . 1 . . . . . . . . 5940 1 224 . 1 1 37 37 SER CB C 13 63.052 . . 1 . . . . . . . . 5940 1 225 . 1 1 37 37 SER HB2 H 1 3.669 . . 2 . . . . . . . . 5940 1 226 . 1 1 37 37 SER C C 13 174.638 . . 1 . . . . . . . . 5940 1 227 . 1 1 38 38 PHE N N 15 119.420 . . 1 . . . . . . . . 5940 1 228 . 1 1 38 38 PHE H H 1 7.735 . . 1 . . . . . . . . 5940 1 229 . 1 1 38 38 PHE CA C 13 57.805 . . 1 . . . . . . . . 5940 1 230 . 1 1 38 38 PHE HA H 1 4.492 . . 1 . . . . . . . . 5940 1 231 . 1 1 38 38 PHE CB C 13 40.316 . . 1 . . . . . . . . 5940 1 232 . 1 1 38 38 PHE HB2 H 1 2.538 . . 2 . . . . . . . . 5940 1 233 . 1 1 38 38 PHE C C 13 175.413 . . 1 . . . . . . . . 5940 1 234 . 1 1 39 39 TYR N N 15 117.385 . . 1 . . . . . . . . 5940 1 235 . 1 1 39 39 TYR H H 1 7.883 . . 1 . . . . . . . . 5940 1 236 . 1 1 39 39 TYR CA C 13 56.494 . . 1 . . . . . . . . 5940 1 237 . 1 1 39 39 TYR HA H 1 4.961 . . 1 . . . . . . . . 5940 1 238 . 1 1 39 39 TYR CB C 13 40.753 . . 1 . . . . . . . . 5940 1 239 . 1 1 39 39 TYR HB3 H 1 3.451 . . 2 . . . . . . . . 5940 1 240 . 1 1 39 39 TYR HB2 H 1 3.007 . . 2 . . . . . . . . 5940 1 241 . 1 1 40 40 ARG N N 15 121.524 . . 1 . . . . . . . . 5940 1 242 . 1 1 40 40 ARG H H 1 9.177 . . 1 . . . . . . . . 5940 1 243 . 1 1 40 40 ARG CA C 13 55.182 . . 1 . . . . . . . . 5940 1 244 . 1 1 40 40 ARG HA H 1 4.834 . . 1 . . . . . . . . 5940 1 245 . 1 1 40 40 ARG CB C 13 32.008 . . 1 . . . . . . . . 5940 1 246 . 1 1 40 40 ARG HB3 H 1 1.924 . . 2 . . . . . . . . 5940 1 247 . 1 1 40 40 ARG HB2 H 1 1.795 . . 2 . . . . . . . . 5940 1 248 . 1 1 40 40 ARG CG C 13 27.275 . . 1 . . . . . . . . 5940 1 249 . 1 1 40 40 ARG CD C 13 43.522 . . 1 . . . . . . . . 5940 1 250 . 1 1 40 40 ARG C C 13 175.724 . . 1 . . . . . . . . 5940 1 251 . 1 1 41 41 LEU N N 15 119.399 . . 1 . . . . . . . . 5940 1 252 . 1 1 41 41 LEU H H 1 7.969 . . 1 . . . . . . . . 5940 1 253 . 1 1 41 41 LEU CA C 13 52.996 . . 1 . . . . . . . . 5940 1 254 . 1 1 41 41 LEU HA H 1 4.443 . . 1 . . . . . . . . 5940 1 255 . 1 1 41 41 LEU CB C 13 44.688 . . 1 . . . . . . . . 5940 1 256 . 1 1 41 41 LEU CG C 13 25.069 . . 1 . . . . . . . . 5940 1 257 . 1 1 41 41 LEU CD1 C 13 22.351 . . 2 . . . . . . . . 5940 1 258 . 1 1 41 41 LEU C C 13 175.910 . . 1 . . . . . . . . 5940 1 259 . 1 1 42 42 ARG N N 15 116.606 . . 1 . . . . . . . . 5940 1 260 . 1 1 42 42 ARG H H 1 8.786 . . 1 . . . . . . . . 5940 1 261 . 1 1 42 42 ARG CA C 13 52.996 . . 1 . . . . . . . . 5940 1 262 . 1 1 42 42 ARG HA H 1 4.529 . . 1 . . . . . . . . 5940 1 263 . 1 1 42 42 ARG CB C 13 33.320 . . 1 . . . . . . . . 5940 1 264 . 1 1 42 42 ARG HB2 H 1 1.927 . . 2 . . . . . . . . 5940 1 265 . 1 1 42 42 ARG CG C 13 25.731 . . 1 . . . . . . . . 5940 1 266 . 1 1 42 42 ARG CD C 13 43.522 . . 1 . . . . . . . . 5940 1 267 . 1 1 42 42 ARG C C 13 174.383 . . 1 . . . . . . . . 5940 1 268 . 1 1 43 43 PHE N N 15 114.713 . . 1 . . . . . . . . 5940 1 269 . 1 1 43 43 PHE H H 1 8.535 . . 1 . . . . . . . . 5940 1 270 . 1 1 43 43 PHE CA C 13 56.494 . . 1 . . . . . . . . 5940 1 271 . 1 1 43 43 PHE HA H 1 5.785 . . 1 . . . . . . . . 5940 1 272 . 1 1 43 43 PHE CB C 13 43.377 . . 1 . . . . . . . . 5940 1 273 . 1 1 43 43 PHE HB3 H 1 2.622 . . 2 . . . . . . . . 5940 1 274 . 1 1 43 43 PHE HB2 H 1 2.218 . . 2 . . . . . . . . 5940 1 275 . 1 1 43 43 PHE C C 13 177.954 . . 1 . . . . . . . . 5940 1 276 . 1 1 44 44 GLU N N 15 122.317 . . 1 . . . . . . . . 5940 1 277 . 1 1 44 44 GLU H H 1 8.595 . . 1 . . . . . . . . 5940 1 278 . 1 1 44 44 GLU CA C 13 54.745 . . 1 . . . . . . . . 5940 1 279 . 1 1 45 45 LEU CA C 13 53.623 . . 1 . . . . . . . . 5940 1 280 . 1 1 45 45 LEU HA H 1 5.090 . . 1 . . . . . . . . 5940 1 281 . 1 1 45 45 LEU CB C 13 46.000 . . 1 . . . . . . . . 5940 1 282 . 1 1 45 45 LEU HB3 H 1 1.453 . . 2 . . . . . . . . 5940 1 283 . 1 1 45 45 LEU HB2 H 1 1.061 . . 2 . . . . . . . . 5940 1 284 . 1 1 45 45 LEU CG C 13 27.608 . . 1 . . . . . . . . 5940 1 285 . 1 1 45 45 LEU CD1 C 13 25.946 . . 2 . . . . . . . . 5940 1 286 . 1 1 45 45 LEU C C 13 174.934 . . 1 . . . . . . . . 5940 1 287 . 1 1 46 46 ARG N N 15 120.712 . . 1 . . . . . . . . 5940 1 288 . 1 1 46 46 ARG H H 1 9.264 . . 1 . . . . . . . . 5940 1 289 . 1 1 46 46 ARG CA C 13 53.433 . . 1 . . . . . . . . 5940 1 290 . 1 1 46 46 ARG HA H 1 5.788 . . 1 . . . . . . . . 5940 1 291 . 1 1 46 46 ARG CB C 13 34.195 . . 1 . . . . . . . . 5940 1 292 . 1 1 46 46 ARG CG C 13 28.340 . . 1 . . . . . . . . 5940 1 293 . 1 1 46 46 ARG CD C 13 42.361 . . 1 . . . . . . . . 5940 1 294 . 1 1 46 46 ARG C C 13 173.882 . . 1 . . . . . . . . 5940 1 295 . 1 1 47 47 TYR N N 15 115.244 . . 1 . . . . . . . . 5940 1 296 . 1 1 47 47 TYR H H 1 8.770 . . 1 . . . . . . . . 5940 1 297 . 1 1 47 47 TYR CA C 13 55.182 . . 1 . . . . . . . . 5940 1 298 . 1 1 47 47 TYR HA H 1 6.136 . . 1 . . . . . . . . 5940 1 299 . 1 1 47 47 TYR CB C 13 42.502 . . 1 . . . . . . . . 5940 1 300 . 1 1 47 47 TYR HB3 H 1 3.042 . . 2 . . . . . . . . 5940 1 301 . 1 1 47 47 TYR HB2 H 1 2.793 . . 2 . . . . . . . . 5940 1 302 . 1 1 47 47 TYR C C 13 174.248 . . 1 . . . . . . . . 5940 1 303 . 1 1 48 48 ARG N N 15 114.407 . . 1 . . . . . . . . 5940 1 304 . 1 1 48 48 ARG H H 1 8.819 . . 1 . . . . . . . . 5940 1 305 . 1 1 48 48 ARG CA C 13 54.308 . . 1 . . . . . . . . 5940 1 306 . 1 1 48 48 ARG HA H 1 4.707 . . 1 . . . . . . . . 5940 1 307 . 1 1 48 48 ARG CB C 13 32.883 . . 1 . . . . . . . . 5940 1 308 . 1 1 48 48 ARG HB3 H 1 1.794 . . 2 . . . . . . . . 5940 1 309 . 1 1 48 48 ARG CG C 13 26.441 . . 1 . . . . . . . . 5940 1 310 . 1 1 48 48 ARG CD C 13 41.860 . . 1 . . . . . . . . 5940 1 311 . 1 1 48 48 ARG C C 13 174.648 . . 1 . . . . . . . . 5940 1 312 . 1 1 49 49 ALA N N 15 125.094 . . 1 . . . . . . . . 5940 1 313 . 1 1 49 49 ALA H H 1 8.517 . . 1 . . . . . . . . 5940 1 314 . 1 1 49 49 ALA CA C 13 51.684 . . 1 . . . . . . . . 5940 1 315 . 1 1 49 49 ALA HA H 1 4.963 . . 1 . . . . . . . . 5940 1 316 . 1 1 49 49 ALA CB C 13 18.017 . . 1 . . . . . . . . 5940 1 317 . 1 1 49 49 ALA HB1 H 1 0.752 . . 1 . . . . . . . . 5940 1 318 . 1 1 49 49 ALA HB2 H 1 0.752 . . 1 . . . . . . . . 5940 1 319 . 1 1 49 49 ALA HB3 H 1 0.752 . . 1 . . . . . . . . 5940 1 320 . 1 1 49 49 ALA C C 13 179.399 . . 1 . . . . . . . . 5940 1 321 . 1 1 50 50 GLU N N 15 121.749 . . 1 . . . . . . . . 5940 1 322 . 1 1 50 50 GLU H H 1 8.630 . . 1 . . . . . . . . 5940 1 323 . 1 1 50 50 GLU CA C 13 59.117 . . 1 . . . . . . . . 5940 1 324 . 1 1 50 50 GLU HA H 1 3.714 . . 1 . . . . . . . . 5940 1 325 . 1 1 50 50 GLU CB C 13 29.385 . . 1 . . . . . . . . 5940 1 326 . 1 1 50 50 GLU HB2 H 1 1.845 . . 2 . . . . . . . . 5940 1 327 . 1 1 50 50 GLU CG C 13 35.811 . . 1 . . . . . . . . 5940 1 328 . 1 1 51 51 ARG N N 15 112.020 . . 1 . . . . . . . . 5940 1 329 . 1 1 51 51 ARG H H 1 7.554 . . 1 . . . . . . . . 5940 1 330 . 1 1 51 51 ARG CA C 13 56.056 . . 1 . . . . . . . . 5940 1 331 . 1 1 51 51 ARG HA H 1 4.185 . . 1 . . . . . . . . 5940 1 332 . 1 1 51 51 ARG CB C 13 29.478 . . 1 . . . . . . . . 5940 1 333 . 1 1 51 51 ARG HB3 H 1 1.841 . . 2 . . . . . . . . 5940 1 334 . 1 1 51 51 ARG HB2 H 1 1.710 . . 2 . . . . . . . . 5940 1 335 . 1 1 51 51 ARG CG C 13 26.724 . . 1 . . . . . . . . 5940 1 336 . 1 1 51 51 ARG CD C 13 43.246 . . 1 . . . . . . . . 5940 1 337 . 1 1 51 51 ARG C C 13 175.855 . . 1 . . . . . . . . 5940 1 338 . 1 1 52 52 SER N N 15 115.400 . . 1 . . . . . . . . 5940 1 339 . 1 1 52 52 SER H H 1 7.608 . . 1 . . . . . . . . 5940 1 340 . 1 1 52 52 SER CA C 13 56.494 . . 1 . . . . . . . . 5940 1 341 . 1 1 52 52 SER HA H 1 4.485 . . 1 . . . . . . . . 5940 1 342 . 1 1 52 52 SER CB C 13 64.364 . . 1 . . . . . . . . 5940 1 343 . 1 1 52 52 SER HB3 H 1 3.704 . . 2 . . . . . . . . 5940 1 344 . 1 1 52 52 SER HB2 H 1 3.531 . . 2 . . . . . . . . 5940 1 345 . 1 1 52 52 SER C C 13 174.322 . . 1 . . . . . . . . 5940 1 346 . 1 1 53 53 LYS N N 15 121.791 . . 1 . . . . . . . . 5940 1 347 . 1 1 53 53 LYS H H 1 8.556 . . 1 . . . . . . . . 5940 1 348 . 1 1 53 53 LYS CA C 13 56.464 . . 1 . . . . . . . . 5940 1 349 . 1 1 53 53 LYS HA H 1 4.137 . . 1 . . . . . . . . 5940 1 350 . 1 1 53 53 LYS CB C 13 33.320 . . 1 . . . . . . . . 5940 1 351 . 1 1 53 53 LYS HB3 H 1 1.836 . . 2 . . . . . . . . 5940 1 352 . 1 1 53 53 LYS HB2 H 1 1.663 . . 2 . . . . . . . . 5940 1 353 . 1 1 53 53 LYS CG C 13 24.797 . . 1 . . . . . . . . 5940 1 354 . 1 1 53 53 LYS CD C 13 28.652 . . 1 . . . . . . . . 5940 1 355 . 1 1 53 53 LYS CE C 13 42.145 . . 1 . . . . . . . . 5940 1 356 . 1 1 53 53 LYS C C 13 176.778 . . 1 . . . . . . . . 5940 1 357 . 1 1 54 54 THR N N 15 112.539 . . 1 . . . . . . . . 5940 1 358 . 1 1 54 54 THR H H 1 7.686 . . 1 . . . . . . . . 5940 1 359 . 1 1 54 54 THR CA C 13 60.866 . . 1 . . . . . . . . 5940 1 360 . 1 1 54 54 THR HA H 1 4.266 . . 1 . . . . . . . . 5940 1 361 . 1 1 54 54 THR CB C 13 70.485 . . 1 . . . . . . . . 5940 1 362 . 1 1 54 54 THR HB H 1 3.962 . . 1 . . . . . . . . 5940 1 363 . 1 1 54 54 THR CG2 C 13 21.753 . . 1 . . . . . . . . 5940 1 364 . 1 1 54 54 THR C C 13 174.003 . . 1 . . . . . . . . 5940 1 365 . 1 1 55 55 PHE N N 15 121.565 . . 1 . . . . . . . . 5940 1 366 . 1 1 55 55 PHE H H 1 8.784 . . 1 . . . . . . . . 5940 1 367 . 1 1 55 55 PHE CA C 13 58.680 . . 1 . . . . . . . . 5940 1 368 . 1 1 55 55 PHE HA H 1 4.448 . . 1 . . . . . . . . 5940 1 369 . 1 1 55 55 PHE CB C 13 40.753 . . 1 . . . . . . . . 5940 1 370 . 1 1 55 55 PHE HB3 H 1 2.609 . . 2 . . . . . . . . 5940 1 371 . 1 1 55 55 PHE HB2 H 1 2.530 . . 2 . . . . . . . . 5940 1 372 . 1 1 55 55 PHE C C 13 177.185 . . 1 . . . . . . . . 5940 1 373 . 1 1 56 56 THR N N 15 120.436 . . 1 . . . . . . . . 5940 1 374 . 1 1 56 56 THR H H 1 8.766 . . 1 . . . . . . . . 5940 1 375 . 1 1 56 56 THR CA C 13 62.615 . . 1 . . . . . . . . 5940 1 376 . 1 1 56 56 THR HA H 1 4.312 . . 1 . . . . . . . . 5940 1 377 . 1 1 56 56 THR CB C 13 69.611 . . 1 . . . . . . . . 5940 1 378 . 1 1 56 56 THR HG21 H 1 1.405 . . 1 . . . . . . . . 5940 1 379 . 1 1 56 56 THR HG22 H 1 1.405 . . 1 . . . . . . . . 5940 1 380 . 1 1 56 56 THR HG23 H 1 1.405 . . 1 . . . . . . . . 5940 1 381 . 1 1 56 56 THR CG2 C 13 22.088 . . 1 . . . . . . . . 5940 1 382 . 1 1 56 56 THR C C 13 178.129 . . 1 . . . . . . . . 5940 1 383 . 1 1 57 57 THR N N 15 119.796 . . 1 . . . . . . . . 5940 1 384 . 1 1 57 57 THR H H 1 8.436 . . 1 . . . . . . . . 5940 1 385 . 1 1 57 57 THR CA C 13 60.429 . . 1 . . . . . . . . 5940 1 386 . 1 1 57 57 THR HA H 1 5.312 . . 1 . . . . . . . . 5940 1 387 . 1 1 57 57 THR CB C 13 70.923 . . 1 . . . . . . . . 5940 1 388 . 1 1 57 57 THR HB H 1 3.879 . . 1 . . . . . . . . 5940 1 389 . 1 1 57 57 THR CG2 C 13 20.835 . . 1 . . . . . . . . 5940 1 390 . 1 1 57 57 THR C C 13 174.278 . . 1 . . . . . . . . 5940 1 391 . 1 1 58 58 TRP N N 15 122.745 . . 1 . . . . . . . . 5940 1 392 . 1 1 58 58 TRP H H 1 9.156 . . 1 . . . . . . . . 5940 1 393 . 1 1 58 58 TRP CA C 13 56.056 . . 1 . . . . . . . . 5940 1 394 . 1 1 58 58 TRP HA H 1 3.670 . . 1 . . . . . . . . 5940 1 395 . 1 1 58 58 TRP CB C 13 32.008 . . 1 . . . . . . . . 5940 1 396 . 1 1 58 58 TRP HB2 H 1 3.356 . . 2 . . . . . . . . 5940 1 397 . 1 1 58 58 TRP C C 13 175.242 . . 1 . . . . . . . . 5940 1 398 . 1 1 59 59 MET N N 15 121.832 . . 1 . . . . . . . . 5940 1 399 . 1 1 59 59 MET H H 1 8.611 . . 1 . . . . . . . . 5940 1 400 . 1 1 59 59 MET CA C 13 54.308 . . 1 . . . . . . . . 5940 1 401 . 1 1 59 59 MET HA H 1 4.872 . . 1 . . . . . . . . 5940 1 402 . 1 1 59 59 MET CB C 13 31.571 . . 1 . . . . . . . . 5940 1 403 . 1 1 59 59 MET HB2 H 1 2.099 . . 2 . . . . . . . . 5940 1 404 . 1 1 59 59 MET C C 13 176.287 . . 1 . . . . . . . . 5940 1 405 . 1 1 60 60 VAL N N 15 126.878 . . 1 . . . . . . . . 5940 1 406 . 1 1 60 60 VAL H H 1 8.642 . . 1 . . . . . . . . 5940 1 407 . 1 1 60 60 VAL CA C 13 63.489 . . 1 . . . . . . . . 5940 1 408 . 1 1 60 60 VAL HA H 1 4.057 . . 1 . . . . . . . . 5940 1 409 . 1 1 60 60 VAL CB C 13 31.571 . . 1 . . . . . . . . 5940 1 410 . 1 1 60 60 VAL HB H 1 2.448 . . 1 . . . . . . . . 5940 1 411 . 1 1 60 60 VAL CG1 C 13 21.484 . . 2 . . . . . . . . 5940 1 412 . 1 1 60 60 VAL C C 13 177.360 . . 1 . . . . . . . . 5940 1 413 . 1 1 61 61 LYS N N 15 129.175 . . 1 . . . . . . . . 5940 1 414 . 1 1 61 61 LYS H H 1 8.793 . . 1 . . . . . . . . 5940 1 415 . 1 1 61 61 LYS CA C 13 57.368 . . 1 . . . . . . . . 5940 1 416 . 1 1 61 61 LYS HA H 1 4.300 . . 1 . . . . . . . . 5940 1 417 . 1 1 61 61 LYS CB C 13 33.320 . . 1 . . . . . . . . 5940 1 418 . 1 1 61 61 LYS HB2 H 1 1.871 . . 2 . . . . . . . . 5940 1 419 . 1 1 61 61 LYS CG C 13 25.158 . . 1 . . . . . . . . 5940 1 420 . 1 1 61 61 LYS CD C 13 29.101 . . 1 . . . . . . . . 5940 1 421 . 1 1 61 61 LYS CE C 13 41.841 . . 1 . . . . . . . . 5940 1 422 . 1 1 62 62 ASP N N 15 118.710 . . 1 . . . . . . . . 5940 1 423 . 1 1 62 62 ASP H H 1 8.377 . . 1 . . . . . . . . 5940 1 424 . 1 1 62 62 ASP CA C 13 55.182 . . 1 . . . . . . . . 5940 1 425 . 1 1 62 62 ASP HA H 1 4.490 . . 1 . . . . . . . . 5940 1 426 . 1 1 62 62 ASP CB C 13 40.753 . . 1 . . . . . . . . 5940 1 427 . 1 1 62 62 ASP HB3 H 1 2.883 . . 2 . . . . . . . . 5940 1 428 . 1 1 62 62 ASP HB2 H 1 2.801 . . 2 . . . . . . . . 5940 1 429 . 1 1 63 63 LEU N N 15 116.949 . . 1 . . . . . . . . 5940 1 430 . 1 1 63 63 LEU H H 1 8.700 . . 1 . . . . . . . . 5940 1 431 . 1 1 63 63 LEU CA C 13 55.534 . . 1 . . . . . . . . 5940 1 432 . 1 1 63 63 LEU HA H 1 4.443 . . 1 . . . . . . . . 5940 1 433 . 1 1 63 63 LEU CB C 13 39.879 . . 1 . . . . . . . . 5940 1 434 . 1 1 63 63 LEU HB3 H 1 1.928 . . 2 . . . . . . . . 5940 1 435 . 1 1 63 63 LEU HB2 H 1 1.801 . . 2 . . . . . . . . 5940 1 436 . 1 1 63 63 LEU CG C 13 27.000 . . 1 . . . . . . . . 5940 1 437 . 1 1 63 63 LEU CD1 C 13 25.348 . . 2 . . . . . . . . 5940 1 438 . 1 1 63 63 LEU CD2 C 13 23.145 . . 2 . . . . . . . . 5940 1 439 . 1 1 63 63 LEU C C 13 177.682 . . 1 . . . . . . . . 5940 1 440 . 1 1 64 64 GLN N N 15 116.833 . . 1 . . . . . . . . 5940 1 441 . 1 1 64 64 GLN H H 1 7.701 . . 1 . . . . . . . . 5940 1 442 . 1 1 64 64 GLN CA C 13 56.056 . . 1 . . . . . . . . 5940 1 443 . 1 1 64 64 GLN HA H 1 4.359 . . 1 . . . . . . . . 5940 1 444 . 1 1 64 64 GLN CB C 13 29.822 . . 1 . . . . . . . . 5940 1 445 . 1 1 64 64 GLN HB3 H 1 2.102 . . 2 . . . . . . . . 5940 1 446 . 1 1 64 64 GLN HB2 H 1 2.044 . . 2 . . . . . . . . 5940 1 447 . 1 1 64 64 GLN CG C 13 34.481 . . 1 . . . . . . . . 5940 1 448 . 1 1 64 64 GLN C C 13 175.084 . . 1 . . . . . . . . 5940 1 449 . 1 1 65 65 HIS N N 15 115.517 . . 1 . . . . . . . . 5940 1 450 . 1 1 65 65 HIS H H 1 8.339 . . 1 . . . . . . . . 5940 1 451 . 1 1 65 65 HIS CA C 13 54.745 . . 1 . . . . . . . . 5940 1 452 . 1 1 65 65 HIS HA H 1 3.354 . . 1 . . . . . . . . 5940 1 453 . 1 1 65 65 HIS CB C 13 26.324 . . 1 . . . . . . . . 5940 1 454 . 1 1 65 65 HIS HB3 H 1 3.214 . . 2 . . . . . . . . 5940 1 455 . 1 1 65 65 HIS HB2 H 1 3.172 . . 2 . . . . . . . . 5940 1 456 . 1 1 65 65 HIS C C 13 171.346 . . 1 . . . . . . . . 5940 1 457 . 1 1 66 66 HIS N N 15 112.407 . . 1 . . . . . . . . 5940 1 458 . 1 1 66 66 HIS H H 1 6.489 . . 1 . . . . . . . . 5940 1 459 . 1 1 66 66 HIS CA C 13 53.870 . . 1 . . . . . . . . 5940 1 460 . 1 1 66 66 HIS HA H 1 5.093 . . 1 . . . . . . . . 5940 1 461 . 1 1 66 66 HIS CB C 13 31.134 . . 1 . . . . . . . . 5940 1 462 . 1 1 66 66 HIS HB3 H 1 3.179 . . 2 . . . . . . . . 5940 1 463 . 1 1 66 66 HIS HB2 H 1 2.875 . . 2 . . . . . . . . 5940 1 464 . 1 1 66 66 HIS C C 13 173.446 . . 1 . . . . . . . . 5940 1 465 . 1 1 67 67 CYS N N 15 117.460 . . 1 . . . . . . . . 5940 1 466 . 1 1 67 67 CYS H H 1 9.171 . . 1 . . . . . . . . 5940 1 467 . 1 1 67 67 CYS CA C 13 56.931 . . 1 . . . . . . . . 5940 1 468 . 1 1 67 67 CYS HA H 1 4.659 . . 1 . . . . . . . . 5940 1 469 . 1 1 67 67 CYS CB C 13 30.697 . . 1 . . . . . . . . 5940 1 470 . 1 1 67 67 CYS HB3 H 1 3.233 . . 2 . . . . . . . . 5940 1 471 . 1 1 67 67 CYS HB2 H 1 3.096 . . 2 . . . . . . . . 5940 1 472 . 1 1 67 67 CYS C C 13 171.190 . . 1 . . . . . . . . 5940 1 473 . 1 1 68 68 VAL N N 15 121.029 . . 1 . . . . . . . . 5940 1 474 . 1 1 68 68 VAL H H 1 8.393 . . 1 . . . . . . . . 5940 1 475 . 1 1 68 68 VAL CA C 13 60.866 . . 1 . . . . . . . . 5940 1 476 . 1 1 68 68 VAL HA H 1 4.747 . . 1 . . . . . . . . 5940 1 477 . 1 1 68 68 VAL CB C 13 33.757 . . 1 . . . . . . . . 5940 1 478 . 1 1 68 68 VAL HB H 1 1.401 . . 1 . . . . . . . . 5940 1 479 . 1 1 68 68 VAL CG1 C 13 21.148 . . 2 . . . . . . . . 5940 1 480 . 1 1 68 68 VAL C C 13 175.836 . . 1 . . . . . . . . 5940 1 481 . 1 1 69 69 ILE N N 15 128.062 . . 1 . . . . . . . . 5940 1 482 . 1 1 69 69 ILE H H 1 8.898 . . 1 . . . . . . . . 5940 1 483 . 1 1 69 69 ILE CA C 13 61.283 . . 1 . . . . . . . . 5940 1 484 . 1 1 69 69 ILE HA H 1 3.706 . . 1 . . . . . . . . 5940 1 485 . 1 1 69 69 ILE CB C 13 39.879 . . 1 . . . . . . . . 5940 1 486 . 1 1 69 69 ILE HB H 1 1.365 . . 1 . . . . . . . . 5940 1 487 . 1 1 69 69 ILE CG1 C 13 27.963 . . 2 . . . . . . . . 5940 1 488 . 1 1 69 69 ILE CD1 C 13 13.236 . . 1 . . . . . . . . 5940 1 489 . 1 1 69 69 ILE CG2 C 13 16.684 . . 2 . . . . . . . . 5940 1 490 . 1 1 69 69 ILE C C 13 176.591 . . 1 . . . . . . . . 5940 1 491 . 1 1 70 70 HIS N N 15 121.614 . . 1 . . . . . . . . 5940 1 492 . 1 1 70 70 HIS H H 1 8.968 . . 1 . . . . . . . . 5940 1 493 . 1 1 70 70 HIS CA C 13 55.182 . . 1 . . . . . . . . 5940 1 494 . 1 1 70 70 HIS HA H 1 4.789 . . 1 . . . . . . . . 5940 1 495 . 1 1 70 70 HIS CB C 13 29.822 . . 1 . . . . . . . . 5940 1 496 . 1 1 70 70 HIS HB3 H 1 3.317 . . 2 . . . . . . . . 5940 1 497 . 1 1 70 70 HIS HB2 H 1 2.837 . . 2 . . . . . . . . 5940 1 498 . 1 1 70 70 HIS C C 13 173.700 . . 1 . . . . . . . . 5940 1 499 . 1 1 71 71 ASP N N 15 119.984 . . 1 . . . . . . . . 5940 1 500 . 1 1 71 71 ASP H H 1 7.997 . . 1 . . . . . . . . 5940 1 501 . 1 1 71 71 ASP CA C 13 52.121 . . 1 . . . . . . . . 5940 1 502 . 1 1 71 71 ASP HA H 1 4.864 . . 1 . . . . . . . . 5940 1 503 . 1 1 71 71 ASP CB C 13 39.879 . . 1 . . . . . . . . 5940 1 504 . 1 1 71 71 ASP HB3 H 1 2.920 . . 2 . . . . . . . . 5940 1 505 . 1 1 71 71 ASP HB2 H 1 2.488 . . 2 . . . . . . . . 5940 1 506 . 1 1 71 71 ASP C C 13 176.571 . . 1 . . . . . . . . 5940 1 507 . 1 1 72 72 ALA N N 15 123.919 . . 1 . . . . . . . . 5940 1 508 . 1 1 72 72 ALA H H 1 8.679 . . 1 . . . . . . . . 5940 1 509 . 1 1 72 72 ALA CA C 13 52.121 . . 1 . . . . . . . . 5940 1 510 . 1 1 72 72 ALA HA H 1 4.107 . . 1 . . . . . . . . 5940 1 511 . 1 1 72 72 ALA CB C 13 17.143 . . 1 . . . . . . . . 5940 1 512 . 1 1 72 72 ALA HB1 H 1 0.526 . . 1 . . . . . . . . 5940 1 513 . 1 1 72 72 ALA HB2 H 1 0.526 . . 1 . . . . . . . . 5940 1 514 . 1 1 72 72 ALA HB3 H 1 0.526 . . 1 . . . . . . . . 5940 1 515 . 1 1 73 73 TRP N N 15 125.365 . . 1 . . . . . . . . 5940 1 516 . 1 1 73 73 TRP H H 1 10.464 . . 1 . . . . . . . . 5940 1 517 . 1 1 73 73 TRP CA C 13 58.243 . . 1 . . . . . . . . 5940 1 518 . 1 1 73 73 TRP HA H 1 4.623 . . 1 . . . . . . . . 5940 1 519 . 1 1 73 73 TRP CB C 13 33.320 . . 1 . . . . . . . . 5940 1 520 . 1 1 73 73 TRP HB2 H 1 3.884 . . 2 . . . . . . . . 5940 1 521 . 1 1 73 73 TRP C C 13 173.335 . . 1 . . . . . . . . 5940 1 522 . 1 1 74 74 SER N N 15 118.704 . . 1 . . . . . . . . 5940 1 523 . 1 1 74 74 SER H H 1 8.372 . . 1 . . . . . . . . 5940 1 524 . 1 1 74 74 SER CA C 13 59.554 . . 1 . . . . . . . . 5940 1 525 . 1 1 74 74 SER HA H 1 4.227 . . 1 . . . . . . . . 5940 1 526 . 1 1 74 74 SER CB C 13 63.653 . . 1 . . . . . . . . 5940 1 527 . 1 1 74 74 SER HB3 H 1 3.883 . . 2 . . . . . . . . 5940 1 528 . 1 1 74 74 SER HB2 H 1 3.826 . . 2 . . . . . . . . 5940 1 529 . 1 1 75 75 GLY N N 15 109.950 . . 1 . . . . . . . . 5940 1 530 . 1 1 75 75 GLY H H 1 8.769 . . 1 . . . . . . . . 5940 1 531 . 1 1 75 75 GLY CA C 13 45.993 . . 1 . . . . . . . . 5940 1 532 . 1 1 75 75 GLY HA3 H 1 4.095 . . 2 . . . . . . . . 5940 1 533 . 1 1 75 75 GLY HA2 H 1 3.575 . . 2 . . . . . . . . 5940 1 534 . 1 1 75 75 GLY C C 13 173.555 . . 1 . . . . . . . . 5940 1 535 . 1 1 76 76 LEU N N 15 118.377 . . 1 . . . . . . . . 5940 1 536 . 1 1 76 76 LEU H H 1 7.483 . . 1 . . . . . . . . 5940 1 537 . 1 1 76 76 LEU CA C 13 53.433 . . 1 . . . . . . . . 5940 1 538 . 1 1 76 76 LEU HA H 1 4.875 . . 1 . . . . . . . . 5940 1 539 . 1 1 76 76 LEU CB C 13 43.814 . . 1 . . . . . . . . 5940 1 540 . 1 1 76 76 LEU HB3 H 1 1.706 . . 2 . . . . . . . . 5940 1 541 . 1 1 76 76 LEU HB2 H 1 1.534 . . 2 . . . . . . . . 5940 1 542 . 1 1 76 76 LEU CG C 13 26.161 . . 1 . . . . . . . . 5940 1 543 . 1 1 76 76 LEU CD1 C 13 22.568 . . 2 . . . . . . . . 5940 1 544 . 1 1 76 76 LEU C C 13 176.667 . . 1 . . . . . . . . 5940 1 545 . 1 1 77 77 ARG N N 15 123.245 . . 1 . . . . . . . . 5940 1 546 . 1 1 77 77 ARG H H 1 8.920 . . 1 . . . . . . . . 5940 1 547 . 1 1 77 77 ARG CA C 13 57.368 . . 1 . . . . . . . . 5940 1 548 . 1 1 77 77 ARG HA H 1 4.747 . . 1 . . . . . . . . 5940 1 549 . 1 1 77 77 ARG CB C 13 31.134 . . 1 . . . . . . . . 5940 1 550 . 1 1 77 77 ARG HB3 H 1 1.840 . . 2 . . . . . . . . 5940 1 551 . 1 1 77 77 ARG HB2 H 1 1.707 . . 2 . . . . . . . . 5940 1 552 . 1 1 77 77 ARG CG C 13 27.294 . . 1 . . . . . . . . 5940 1 553 . 1 1 77 77 ARG CD C 13 44.321 . . 1 . . . . . . . . 5940 1 554 . 1 1 77 77 ARG C C 13 176.866 . . 1 . . . . . . . . 5940 1 555 . 1 1 78 78 HIS N N 15 123.475 . . 1 . . . . . . . . 5940 1 556 . 1 1 78 78 HIS H H 1 9.667 . . 1 . . . . . . . . 5940 1 557 . 1 1 78 78 HIS CA C 13 55.619 . . 1 . . . . . . . . 5940 1 558 . 1 1 78 78 HIS HA H 1 5.181 . . 1 . . . . . . . . 5940 1 559 . 1 1 78 78 HIS CB C 13 31.571 . . 1 . . . . . . . . 5940 1 560 . 1 1 78 78 HIS HB2 H 1 2.791 . . 2 . . . . . . . . 5940 1 561 . 1 1 78 78 HIS C C 13 173.700 . . 1 . . . . . . . . 5940 1 562 . 1 1 79 79 VAL N N 15 118.247 . . 1 . . . . . . . . 5940 1 563 . 1 1 79 79 VAL H H 1 8.935 . . 1 . . . . . . . . 5940 1 564 . 1 1 79 79 VAL CA C 13 60.866 . . 1 . . . . . . . . 5940 1 565 . 1 1 79 79 VAL HA H 1 4.748 . . 1 . . . . . . . . 5940 1 566 . 1 1 79 79 VAL CB C 13 34.195 . . 1 . . . . . . . . 5940 1 567 . 1 1 79 79 VAL HB H 1 1.797 . . 1 . . . . . . . . 5940 1 568 . 1 1 79 79 VAL CG1 C 13 20.896 . . 2 . . . . . . . . 5940 1 569 . 1 1 79 79 VAL C C 13 175.238 . . 1 . . . . . . . . 5940 1 570 . 1 1 80 80 VAL N N 15 124.587 . . 1 . . . . . . . . 5940 1 571 . 1 1 80 80 VAL H H 1 9.186 . . 1 . . . . . . . . 5940 1 572 . 1 1 80 80 VAL CA C 13 60.429 . . 1 . . . . . . . . 5940 1 573 . 1 1 80 80 VAL HA H 1 5.092 . . 1 . . . . . . . . 5940 1 574 . 1 1 80 80 VAL CB C 13 35.069 . . 1 . . . . . . . . 5940 1 575 . 1 1 80 80 VAL HB H 1 1.796 . . 1 . . . . . . . . 5940 1 576 . 1 1 80 80 VAL CG1 C 13 21.239 . . 2 . . . . . . . . 5940 1 577 . 1 1 80 80 VAL C C 13 175.916 . . 1 . . . . . . . . 5940 1 578 . 1 1 81 81 GLN N N 15 121.350 . . 1 . . . . . . . . 5940 1 579 . 1 1 81 81 GLN H H 1 9.103 . . 1 . . . . . . . . 5940 1 580 . 1 1 81 81 GLN CA C 13 54.745 . . 1 . . . . . . . . 5940 1 581 . 1 1 81 81 GLN HA H 1 4.528 . . 1 . . . . . . . . 5940 1 582 . 1 1 81 81 GLN CB C 13 37.255 . . 1 . . . . . . . . 5940 1 583 . 1 1 81 81 GLN C C 13 173.334 . . 1 . . . . . . . . 5940 1 584 . 1 1 82 82 LEU N N 15 118.621 . . 1 . . . . . . . . 5940 1 585 . 1 1 82 82 LEU H H 1 8.610 . . 1 . . . . . . . . 5940 1 586 . 1 1 82 82 LEU CA C 13 54.922 . . 1 . . . . . . . . 5940 1 587 . 1 1 82 82 LEU HA H 1 5.873 . . 1 . . . . . . . . 5940 1 588 . 1 1 82 82 LEU CB C 13 49.281 . . 1 . . . . . . . . 5940 1 589 . 1 1 82 82 LEU HB2 H 1 1.231 . . 2 . . . . . . . . 5940 1 590 . 1 1 82 82 LEU CG C 13 28.735 . . 1 . . . . . . . . 5940 1 591 . 1 1 82 82 LEU CD1 C 13 25.680 . . 2 . . . . . . . . 5940 1 592 . 1 1 82 82 LEU CD2 C 13 24.210 . . 2 . . . . . . . . 5940 1 593 . 1 1 82 82 LEU C C 13 176.067 . . 1 . . . . . . . . 5940 1 594 . 1 1 83 83 ARG N N 15 115.660 . . 1 . . . . . . . . 5940 1 595 . 1 1 83 83 ARG H H 1 8.659 . . 1 . . . . . . . . 5940 1 596 . 1 1 83 83 ARG CA C 13 54.581 . . 1 . . . . . . . . 5940 1 597 . 1 1 83 83 ARG HA H 1 4.405 . . 1 . . . . . . . . 5940 1 598 . 1 1 83 83 ARG CB C 13 33.320 . . 1 . . . . . . . . 5940 1 599 . 1 1 83 83 ARG C C 13 173.793 . . 1 . . . . . . . . 5940 1 600 . 1 1 84 84 ALA N N 15 121.939 . . 1 . . . . . . . . 5940 1 601 . 1 1 84 84 ALA H H 1 8.846 . . 1 . . . . . . . . 5940 1 602 . 1 1 84 84 ALA CA C 13 49.935 . . 1 . . . . . . . . 5940 1 603 . 1 1 84 84 ALA HA H 1 5.571 . . 1 . . . . . . . . 5940 1 604 . 1 1 84 84 ALA CB C 13 25.450 . . 1 . . . . . . . . 5940 1 605 . 1 1 84 84 ALA HB1 H 1 1.057 . . 1 . . . . . . . . 5940 1 606 . 1 1 84 84 ALA HB2 H 1 1.057 . . 1 . . . . . . . . 5940 1 607 . 1 1 84 84 ALA HB3 H 1 1.057 . . 1 . . . . . . . . 5940 1 608 . 1 1 84 84 ALA C C 13 174.756 . . 1 . . . . . . . . 5940 1 609 . 1 1 85 85 GLN N N 15 119.103 . . 1 . . . . . . . . 5940 1 610 . 1 1 85 85 GLN H H 1 8.091 . . 1 . . . . . . . . 5940 1 611 . 1 1 85 85 GLN CA C 13 53.433 . . 1 . . . . . . . . 5940 1 612 . 1 1 85 85 GLN HA H 1 3.823 . . 1 . . . . . . . . 5940 1 613 . 1 1 85 85 GLN CB C 13 30.697 . . 1 . . . . . . . . 5940 1 614 . 1 1 85 85 GLN CG C 13 36.638 . . 1 . . . . . . . . 5940 1 615 . 1 1 85 85 GLN C C 13 172.016 . . 1 . . . . . . . . 5940 1 616 . 1 1 86 86 GLU N N 15 126.966 . . 1 . . . . . . . . 5940 1 617 . 1 1 86 86 GLU H H 1 8.761 . . 1 . . . . . . . . 5940 1 618 . 1 1 86 86 GLU CA C 13 59.157 . . 1 . . . . . . . . 5940 1 619 . 1 1 88 88 PHE CA C 13 57.805 . . 1 . . . . . . . . 5940 1 620 . 1 1 88 88 PHE HA H 1 4.661 . . 1 . . . . . . . . 5940 1 621 . 1 1 88 88 PHE CB C 13 37.692 . . 1 . . . . . . . . 5940 1 622 . 1 1 88 88 PHE HB3 H 1 3.359 . . 2 . . . . . . . . 5940 1 623 . 1 1 88 88 PHE HB2 H 1 3.226 . . 2 . . . . . . . . 5940 1 624 . 1 1 88 88 PHE C C 13 177.122 . . 1 . . . . . . . . 5940 1 625 . 1 1 89 89 GLY N N 15 108.152 . . 1 . . . . . . . . 5940 1 626 . 1 1 89 89 GLY H H 1 8.304 . . 1 . . . . . . . . 5940 1 627 . 1 1 89 89 GLY CA C 13 45.563 . . 1 . . . . . . . . 5940 1 628 . 1 1 89 89 GLY HA3 H 1 3.779 . . 2 . . . . . . . . 5940 1 629 . 1 1 89 89 GLY HA2 H 1 3.363 . . 2 . . . . . . . . 5940 1 630 . 1 1 90 90 GLN N N 15 118.988 . . 1 . . . . . . . . 5940 1 631 . 1 1 90 90 GLN H H 1 8.524 . . 1 . . . . . . . . 5940 1 632 . 1 1 90 90 GLN CA C 13 55.182 . . 1 . . . . . . . . 5940 1 633 . 1 1 90 90 GLN HA H 1 4.225 . . 1 . . . . . . . . 5940 1 634 . 1 1 90 90 GLN CB C 13 28.948 . . 1 . . . . . . . . 5940 1 635 . 1 1 90 90 GLN HB3 H 1 2.012 . . 2 . . . . . . . . 5940 1 636 . 1 1 90 90 GLN HB2 H 1 1.793 . . 2 . . . . . . . . 5940 1 637 . 1 1 90 90 GLN CG C 13 34.167 . . 1 . . . . . . . . 5940 1 638 . 1 1 90 90 GLN C C 13 176.222 . . 1 . . . . . . . . 5940 1 639 . 1 1 91 91 GLY N N 15 107.154 . . 1 . . . . . . . . 5940 1 640 . 1 1 91 91 GLY H H 1 8.193 . . 1 . . . . . . . . 5940 1 641 . 1 1 91 91 GLY CA C 13 44.688 . . 1 . . . . . . . . 5940 1 642 . 1 1 91 91 GLY HA2 H 1 3.973 . . 2 . . . . . . . . 5940 1 643 . 1 1 91 91 GLY C C 13 176.471 . . 1 . . . . . . . . 5940 1 644 . 1 1 92 92 GLU N N 15 118.139 . . 1 . . . . . . . . 5940 1 645 . 1 1 92 92 GLU H H 1 8.429 . . 1 . . . . . . . . 5940 1 646 . 1 1 92 92 GLU CA C 13 55.182 . . 1 . . . . . . . . 5940 1 647 . 1 1 92 92 GLU CB C 13 31.134 . . 1 . . . . . . . . 5940 1 648 . 1 1 95 95 GLU N N 15 122.709 . . 1 . . . . . . . . 5940 1 649 . 1 1 95 95 GLU H H 1 8.443 . . 1 . . . . . . . . 5940 1 650 . 1 1 97 97 SER N N 15 118.361 . . 1 . . . . . . . . 5940 1 651 . 1 1 97 97 SER H H 1 8.335 . . 1 . . . . . . . . 5940 1 652 . 1 1 98 98 PRO CA C 13 63.148 . . 1 . . . . . . . . 5940 1 653 . 1 1 98 98 PRO HA H 1 4.616 . . 1 . . . . . . . . 5940 1 654 . 1 1 98 98 PRO CB C 13 31.453 . . 1 . . . . . . . . 5940 1 655 . 1 1 98 98 PRO HB3 H 1 2.490 . . 2 . . . . . . . . 5940 1 656 . 1 1 98 98 PRO HB2 H 1 1.922 . . 2 . . . . . . . . 5940 1 657 . 1 1 98 98 PRO CG C 13 28.159 . . 1 . . . . . . . . 5940 1 658 . 1 1 98 98 PRO CD C 13 50.131 . . 1 . . . . . . . . 5940 1 659 . 1 1 98 98 PRO C C 13 178.022 . . 1 . . . . . . . . 5940 1 660 . 1 1 99 99 GLU N N 15 122.762 . . 1 . . . . . . . . 5940 1 661 . 1 1 99 99 GLU H H 1 9.035 . . 1 . . . . . . . . 5940 1 662 . 1 1 99 99 GLU CA C 13 58.243 . . 1 . . . . . . . . 5940 1 663 . 1 1 99 99 GLU HA H 1 3.880 . . 1 . . . . . . . . 5940 1 664 . 1 1 99 99 GLU CB C 13 30.259 . . 1 . . . . . . . . 5940 1 665 . 1 1 99 99 GLU HB3 H 1 1.976 . . 2 . . . . . . . . 5940 1 666 . 1 1 99 99 GLU HB2 H 1 1.751 . . 2 . . . . . . . . 5940 1 667 . 1 1 99 99 GLU CG C 13 36.688 . . 1 . . . . . . . . 5940 1 668 . 1 1 99 99 GLU C C 13 175.751 . . 1 . . . . . . . . 5940 1 669 . 1 1 100 100 ALA N N 15 126.756 . . 1 . . . . . . . . 5940 1 670 . 1 1 100 100 ALA H H 1 8.751 . . 1 . . . . . . . . 5940 1 671 . 1 1 100 100 ALA CA C 13 50.372 . . 1 . . . . . . . . 5940 1 672 . 1 1 100 100 ALA HA H 1 4.841 . . 1 . . . . . . . . 5940 1 673 . 1 1 100 100 ALA CB C 13 21.515 . . 1 . . . . . . . . 5940 1 674 . 1 1 100 100 ALA HB1 H 1 1.316 . . 1 . . . . . . . . 5940 1 675 . 1 1 100 100 ALA HB2 H 1 1.316 . . 1 . . . . . . . . 5940 1 676 . 1 1 100 100 ALA HB3 H 1 1.316 . . 1 . . . . . . . . 5940 1 677 . 1 1 100 100 ALA C C 13 176.227 . . 1 . . . . . . . . 5940 1 678 . 1 1 101 101 MET N N 15 117.978 . . 1 . . . . . . . . 5940 1 679 . 1 1 101 101 MET H H 1 8.647 . . 1 . . . . . . . . 5940 1 680 . 1 1 101 101 MET CA C 13 53.870 . . 1 . . . . . . . . 5940 1 681 . 1 1 101 101 MET HA H 1 5.959 . . 1 . . . . . . . . 5940 1 682 . 1 1 101 101 MET CB C 13 35.944 . . 1 . . . . . . . . 5940 1 683 . 1 1 101 101 MET HB3 H 1 2.104 . . 2 . . . . . . . . 5940 1 684 . 1 1 101 101 MET HB2 H 1 1.919 . . 2 . . . . . . . . 5940 1 685 . 1 1 101 101 MET CG C 13 33.039 . . 1 . . . . . . . . 5940 1 686 . 1 1 101 101 MET C C 13 177.189 . . 1 . . . . . . . . 5940 1 687 . 1 1 102 102 GLY N N 15 105.387 . . 1 . . . . . . . . 5940 1 688 . 1 1 102 102 GLY H H 1 8.375 . . 1 . . . . . . . . 5940 1 689 . 1 1 102 102 GLY CA C 13 45.563 . . 1 . . . . . . . . 5940 1 690 . 1 1 102 102 GLY HA3 H 1 4.491 . . 2 . . . . . . . . 5940 1 691 . 1 1 102 102 GLY HA2 H 1 3.572 . . 2 . . . . . . . . 5940 1 692 . 1 1 102 102 GLY C C 13 171.573 . . 1 . . . . . . . . 5940 1 693 . 1 1 103 103 THR N N 15 118.656 . . 1 . . . . . . . . 5940 1 694 . 1 1 103 103 THR H H 1 8.507 . . 1 . . . . . . . . 5940 1 695 . 1 1 103 103 THR CA C 13 59.117 . . 1 . . . . . . . . 5940 1 696 . 1 1 103 103 THR CB C 13 71.797 . . 1 . . . . . . . . 5940 1 697 . 1 1 104 104 PRO CA C 13 59.218 . . 1 . . . . . . . . 5940 1 698 . 1 1 104 104 PRO HA H 1 3.972 . . 1 . . . . . . . . 5940 1 699 . 1 1 104 104 PRO CB C 13 28.101 . . 1 . . . . . . . . 5940 1 700 . 1 1 104 104 PRO HB2 H 1 2.261 . . 2 . . . . . . . . 5940 1 701 . 1 1 104 104 PRO C C 13 178.150 . . 1 . . . . . . . . 5940 1 702 . 1 1 105 105 TRP N N 15 121.237 . . 1 . . . . . . . . 5940 1 703 . 1 1 105 105 TRP H H 1 8.256 . . 1 . . . . . . . . 5940 1 704 . 1 1 105 105 TRP CA C 13 59.117 . . 1 . . . . . . . . 5940 1 705 . 1 1 105 105 TRP HA H 1 4.141 . . 1 . . . . . . . . 5940 1 706 . 1 1 105 105 TRP CB C 13 29.822 . . 1 . . . . . . . . 5940 1 707 . 1 1 105 105 TRP HB3 H 1 3.085 . . 2 . . . . . . . . 5940 1 708 . 1 1 105 105 TRP HB2 H 1 2.825 . . 2 . . . . . . . . 5940 1 709 . 1 1 105 105 TRP C C 13 175.818 . . 1 . . . . . . . . 5940 1 710 . 1 1 106 106 THR N N 15 118.365 . . 1 . . . . . . . . 5940 1 711 . 1 1 106 106 THR H H 1 7.120 . . 1 . . . . . . . . 5940 1 712 . 1 1 106 106 THR CA C 13 59.554 . . 1 . . . . . . . . 5940 1 713 . 1 1 106 106 THR HA H 1 3.968 . . 1 . . . . . . . . 5940 1 714 . 1 1 106 106 THR CB C 13 71.360 . . 1 . . . . . . . . 5940 1 715 . 1 1 106 106 THR HB H 1 3.791 . . 1 . . . . . . . . 5940 1 716 . 1 1 106 106 THR CG2 C 13 21.217 . . 1 . . . . . . . . 5940 1 717 . 1 1 106 106 THR C C 13 172.186 . . 1 . . . . . . . . 5940 1 718 . 1 1 107 107 GLU N N 15 121.991 . . 1 . . . . . . . . 5940 1 719 . 1 1 107 107 GLU H H 1 7.933 . . 1 . . . . . . . . 5940 1 720 . 1 1 107 107 GLU CA C 13 56.494 . . 1 . . . . . . . . 5940 1 721 . 1 1 107 107 GLU HA H 1 3.572 . . 1 . . . . . . . . 5940 1 722 . 1 1 107 107 GLU CB C 13 29.822 . . 1 . . . . . . . . 5940 1 723 . 1 1 107 107 GLU HB2 H 1 1.792 . . 2 . . . . . . . . 5940 1 724 . 1 1 107 107 GLU CG C 13 36.067 . . 1 . . . . . . . . 5940 1 725 . 1 1 107 107 GLU C C 13 176.541 . . 1 . . . . . . . . 5940 1 726 . 1 1 108 108 SER N N 15 117.559 . . 1 . . . . . . . . 5940 1 727 . 1 1 108 108 SER H H 1 8.268 . . 1 . . . . . . . . 5940 1 728 . 1 1 108 108 SER CA C 13 58.243 . . 1 . . . . . . . . 5940 1 729 . 1 1 108 108 SER HA H 1 4.344 . . 1 . . . . . . . . 5940 1 730 . 1 1 108 108 SER CB C 13 63.489 . . 1 . . . . . . . . 5940 1 731 . 1 1 108 108 SER HB2 H 1 3.780 . . 2 . . . . . . . . 5940 1 732 . 1 1 108 108 SER C C 13 174.292 . . 1 . . . . . . . . 5940 1 733 . 1 1 109 109 ARG N N 15 123.469 . . 1 . . . . . . . . 5940 1 734 . 1 1 109 109 ARG H H 1 8.375 . . 1 . . . . . . . . 5940 1 735 . 1 1 109 109 ARG CA C 13 56.056 . . 1 . . . . . . . . 5940 1 736 . 1 1 109 109 ARG HA H 1 4.309 . . 1 . . . . . . . . 5940 1 737 . 1 1 109 109 ARG CB C 13 31.134 . . 1 . . . . . . . . 5940 1 738 . 1 1 109 109 ARG HB3 H 1 1.791 . . 2 . . . . . . . . 5940 1 739 . 1 1 109 109 ARG HB2 H 1 1.706 . . 2 . . . . . . . . 5940 1 740 . 1 1 109 109 ARG CG C 13 27.016 . . 1 . . . . . . . . 5940 1 741 . 1 1 109 109 ARG CD C 13 43.219 . . 1 . . . . . . . . 5940 1 742 . 1 1 109 109 ARG C C 13 175.227 . . 1 . . . . . . . . 5940 1 743 . 1 1 110 110 SER N N 15 116.669 . . 1 . . . . . . . . 5940 1 744 . 1 1 110 110 SER H H 1 8.191 . . 1 . . . . . . . . 5940 1 745 . 1 1 110 110 SER CA C 13 54.745 . . 1 . . . . . . . . 5940 1 746 . 1 1 110 110 SER CB C 13 64.364 . . 1 . . . . . . . . 5940 1 747 . 1 1 112 112 PRO CA C 13 63.074 . . 1 . . . . . . . . 5940 1 748 . 1 1 112 112 PRO HA H 1 4.397 . . 1 . . . . . . . . 5940 1 749 . 1 1 112 112 PRO CB C 13 31.921 . . 1 . . . . . . . . 5940 1 750 . 1 1 112 112 PRO HB3 H 1 2.314 . . 2 . . . . . . . . 5940 1 751 . 1 1 112 112 PRO HB2 H 1 1.924 . . 2 . . . . . . . . 5940 1 752 . 1 1 112 112 PRO CG C 13 27.284 . . 1 . . . . . . . . 5940 1 753 . 1 1 112 112 PRO CD C 13 50.408 . . 1 . . . . . . . . 5940 1 754 . 1 1 112 112 PRO C C 13 176.869 . . 1 . . . . . . . . 5940 1 755 . 1 1 113 113 ALA N N 15 124.019 . . 1 . . . . . . . . 5940 1 756 . 1 1 113 113 ALA H H 1 8.450 . . 1 . . . . . . . . 5940 1 757 . 1 1 113 113 ALA CA C 13 52.121 . . 1 . . . . . . . . 5940 1 758 . 1 1 113 113 ALA HA H 1 4.316 . . 1 . . . . . . . . 5940 1 759 . 1 1 113 113 ALA CB C 13 19.329 . . 1 . . . . . . . . 5940 1 760 . 1 1 113 113 ALA HB1 H 1 1.409 . . 1 . . . . . . . . 5940 1 761 . 1 1 113 113 ALA HB2 H 1 1.409 . . 1 . . . . . . . . 5940 1 762 . 1 1 113 113 ALA HB3 H 1 1.409 . . 1 . . . . . . . . 5940 1 763 . 1 1 114 114 GLU N N 15 119.962 . . 1 . . . . . . . . 5940 1 764 . 1 1 114 114 GLU H H 1 8.399 . . 1 . . . . . . . . 5940 1 765 . 1 1 114 114 GLU CA C 13 56.056 . . 1 . . . . . . . . 5940 1 766 . 1 1 114 114 GLU HA H 1 4.300 . . 1 . . . . . . . . 5940 1 767 . 1 1 114 114 GLU CB C 13 30.259 . . 1 . . . . . . . . 5940 1 768 . 1 1 114 114 GLU HB3 H 1 2.096 . . 2 . . . . . . . . 5940 1 769 . 1 1 114 114 GLU HB2 H 1 1.923 . . 2 . . . . . . . . 5940 1 770 . 1 1 114 114 GLU CG C 13 35.536 . . 1 . . . . . . . . 5940 1 771 . 1 1 115 115 ASN N N 15 124.027 . . 1 . . . . . . . . 5940 1 772 . 1 1 115 115 ASN H H 1 8.038 . . 1 . . . . . . . . 5940 1 773 . 1 1 115 115 ASN CA C 13 54.745 . . 1 . . . . . . . . 5940 1 774 . 1 1 115 115 ASN HA H 1 4.363 . . 1 . . . . . . . . 5940 1 775 . 1 1 115 115 ASN CB C 13 40.316 . . 1 . . . . . . . . 5940 1 776 . 1 1 115 115 ASN HB3 H 1 2.974 . . 2 . . . . . . . . 5940 1 777 . 1 1 116 116 GLU N N 15 121.351 . . 1 . . . . . . . . 5940 1 778 . 1 1 116 116 GLU H H 1 8.851 . . 1 . . . . . . . . 5940 1 779 . 1 1 116 116 GLU CA C 13 56.056 . . 1 . . . . . . . . 5940 1 780 . 1 1 116 116 GLU HA H 1 4.436 . . 1 . . . . . . . . 5940 1 781 . 1 1 116 116 GLU CB C 13 30.259 . . 1 . . . . . . . . 5940 1 782 . 1 1 116 116 GLU HB3 H 1 2.092 . . 2 . . . . . . . . 5940 1 783 . 1 1 116 116 GLU HB2 H 1 1.919 . . 2 . . . . . . . . 5940 1 784 . 1 1 116 116 GLU CG C 13 35.458 . . 1 . . . . . . . . 5940 1 785 . 1 1 116 116 GLU C C 13 176.502 . . 1 . . . . . . . . 5940 1 786 . 1 1 117 117 VAL N N 15 121.511 . . 1 . . . . . . . . 5940 1 787 . 1 1 117 117 VAL H H 1 8.362 . . 1 . . . . . . . . 5940 1 788 . 1 1 117 117 VAL CA C 13 62.178 . . 1 . . . . . . . . 5940 1 789 . 1 1 117 117 VAL HA H 1 4.218 . . 1 . . . . . . . . 5940 1 790 . 1 1 117 117 VAL CB C 13 32.883 . . 1 . . . . . . . . 5940 1 791 . 1 1 117 117 VAL HB H 1 2.092 . . 1 . . . . . . . . 5940 1 792 . 1 1 117 117 VAL CG1 C 13 20.619 . . 2 . . . . . . . . 5940 1 793 . 1 1 117 117 VAL C C 13 176.089 . . 1 . . . . . . . . 5940 1 794 . 1 1 118 118 SER N N 15 119.980 . . 1 . . . . . . . . 5940 1 795 . 1 1 118 118 SER H H 1 8.565 . . 1 . . . . . . . . 5940 1 796 . 1 1 118 118 SER CA C 13 58.243 . . 1 . . . . . . . . 5940 1 797 . 1 1 118 118 SER HA H 1 4.533 . . 1 . . . . . . . . 5940 1 798 . 1 1 118 118 SER CB C 13 63.927 . . 1 . . . . . . . . 5940 1 799 . 1 1 118 118 SER HB3 H 1 3.664 . . 2 . . . . . . . . 5940 1 800 . 1 1 118 118 SER HB2 H 1 3.839 . . 2 . . . . . . . . 5940 1 801 . 1 1 118 118 SER C C 13 176.332 . . 1 . . . . . . . . 5940 1 802 . 1 1 119 119 THR N N 15 118.516 . . 1 . . . . . . . . 5940 1 803 . 1 1 119 119 THR H H 1 8.287 . . 1 . . . . . . . . 5940 1 804 . 1 1 119 119 THR CA C 13 59.554 . . 1 . . . . . . . . 5940 1 805 . 1 1 119 119 THR CB C 13 69.611 . . 1 . . . . . . . . 5940 1 806 . 1 1 120 120 PRO CA C 13 63.140 . . 1 . . . . . . . . 5940 1 807 . 1 1 120 120 PRO HA H 1 4.400 . . 1 . . . . . . . . 5940 1 808 . 1 1 120 120 PRO CB C 13 32.322 . . 1 . . . . . . . . 5940 1 809 . 1 1 120 120 PRO HB3 H 1 2.317 . . 2 . . . . . . . . 5940 1 810 . 1 1 120 120 PRO HB2 H 1 1.883 . . 2 . . . . . . . . 5940 1 811 . 1 1 120 120 PRO CG C 13 27.356 . . 1 . . . . . . . . 5940 1 812 . 1 1 120 120 PRO CD C 13 51.041 . . 1 . . . . . . . . 5940 1 813 . 1 1 120 120 PRO C C 13 177.986 . . 1 . . . . . . . . 5940 1 814 . 1 1 121 121 MET N N 15 120.659 . . 1 . . . . . . . . 5940 1 815 . 1 1 121 121 MET H H 1 8.491 . . 1 . . . . . . . . 5940 1 816 . 1 1 121 121 MET CA C 13 55.619 . . 1 . . . . . . . . 5940 1 817 . 1 1 121 121 MET HA H 1 4.444 . . 1 . . . . . . . . 5940 1 818 . 1 1 121 121 MET CB C 13 32.883 . . 1 . . . . . . . . 5940 1 819 . 1 1 121 121 MET HB3 H 1 2.013 . . 2 . . . . . . . . 5940 1 820 . 1 1 121 121 MET HB2 H 1 2.100 . . 2 . . . . . . . . 5940 1 821 . 1 1 121 121 MET CG C 13 31.956 . . 1 . . . . . . . . 5940 1 822 . 1 1 122 122 GLN N N 15 125.900 . . 1 . . . . . . . . 5940 1 823 . 1 1 122 122 GLN H H 1 7.993 . . 1 . . . . . . . . 5940 1 824 . 1 1 122 122 GLN CA C 13 57.368 . . 1 . . . . . . . . 5940 1 825 . 1 1 122 122 GLN HA H 1 4.047 . . 1 . . . . . . . . 5940 1 826 . 1 1 122 122 GLN CB C 13 30.259 . . 1 . . . . . . . . 5940 1 827 . 1 1 122 122 GLN HB2 H 1 2.137 . . 2 . . . . . . . . 5940 1 828 . 1 1 122 122 GLN CG C 13 32.783 . . 1 . . . . . . . . 5940 1 829 . 1 1 122 122 GLN C C 13 172.745 . . 1 . . . . . . . . 5940 1 830 . 1 1 123 123 ALA N N 15 127.085 . . 1 . . . . . . . . 5940 1 831 . 1 1 123 123 ALA H H 1 8.799 . . 1 . . . . . . . . 5940 1 832 . 1 1 123 123 ALA CA C 13 52.347 . . 1 . . . . . . . . 5940 1 833 . 1 1 123 123 ALA HA H 1 4.397 . . 1 . . . . . . . . 5940 1 834 . 1 1 123 123 ALA CB C 13 19.329 . . 1 . . . . . . . . 5940 1 835 . 1 1 123 123 ALA HB1 H 1 1.402 . . 1 . . . . . . . . 5940 1 836 . 1 1 123 123 ALA HB2 H 1 1.402 . . 1 . . . . . . . . 5940 1 837 . 1 1 123 123 ALA HB3 H 1 1.402 . . 1 . . . . . . . . 5940 1 838 . 1 1 124 124 LEU N N 15 122.148 . . 1 . . . . . . . . 5940 1 839 . 1 1 124 124 LEU H H 1 8.518 . . 1 . . . . . . . . 5940 1 840 . 1 1 124 124 LEU CA C 13 54.444 . . 1 . . . . . . . . 5940 1 841 . 1 1 124 124 LEU HA H 1 4.147 . . 1 . . . . . . . . 5940 1 842 . 1 1 124 124 LEU CB C 13 42.597 . . 1 . . . . . . . . 5940 1 843 . 1 1 124 124 LEU HB2 H 1 1.760 . . 2 . . . . . . . . 5940 1 844 . 1 1 124 124 LEU CG C 13 26.632 . . 1 . . . . . . . . 5940 1 845 . 1 1 124 124 LEU CD1 C 13 23.872 . . 2 . . . . . . . . 5940 1 846 . 1 1 125 125 THR N N 15 118.072 . . 1 . . . . . . . . 5940 1 847 . 1 1 125 125 THR H H 1 8.698 . . 1 . . . . . . . . 5940 1 848 . 1 1 125 125 THR CA C 13 61.971 . . 1 . . . . . . . . 5940 1 849 . 1 1 125 125 THR HA H 1 4.490 . . 1 . . . . . . . . 5940 1 850 . 1 1 125 125 THR CB C 13 69.681 . . 1 . . . . . . . . 5940 1 851 . 1 1 125 125 THR HB H 1 4.230 . . 1 . . . . . . . . 5940 1 852 . 1 1 125 125 THR CG2 C 13 21.492 . . 1 . . . . . . . . 5940 1 853 . 1 1 126 126 THR N N 15 121.944 . . 1 . . . . . . . . 5940 1 854 . 1 1 126 126 THR H H 1 7.978 . . 1 . . . . . . . . 5940 1 855 . 1 1 126 126 THR CA C 13 63.052 . . 1 . . . . . . . . 5940 1 856 . 1 1 126 126 THR CB C 13 70.485 . . 1 . . . . . . . . 5940 1 stop_ save_