data_7106 save_study_list _Study_list.Sf_category study_list _Study_list.Sf_framecode study_list _Study_list.Entry_ID 7106 _Study_list.ID 1 loop_ _Study.ID _Study.Name _Study.Type _Study.Details _Study.Entry_ID _Study.Study_list_ID 1 'RGS18 Structure' 'Structure analysis' 'Determination of the RGS18 structure in solution' 7106 1 stop_ save_ ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 7106 _Entry.Title ; NMR Assignment of human RGS18 (regulator of G-protein signalling) ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2006-05-11 _Entry.Accession_date 2006-05-11 _Entry.Last_release_date . _Entry.Original_release_date . _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version . _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 Victoria Higman . A. . 7106 2 Martina Leidert . . . 7106 3 Jon Elkins . . . 7106 4 Meera Soundararajan . . . 7106 5 Christoph Brockmann . . . 7106 6 Peter Schmieder . . . 7106 7 Michael Sundstrom . . . 7106 8 Cheryl Arrowsmith . . . 7106 9 Johan Weigelt . . . 7106 10 Aled Edwards . . . 7106 11 Annette Diehl . . . 7106 12 Hartmut Oschkinat . . . 7106 13 Linda Ball . J. . 7106 stop_ loop_ _Entry_src.ID _Entry_src.Project_name _Entry_src.Organization_full_name _Entry_src.Organization_initials _Entry_src.Entry_ID . . SGC . 7106 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 7106 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 601 7106 '15N chemical shifts' 134 7106 '1H chemical shifts' 924 7106 stop_ loop_ _Release.Release_number _Release.Format_type _Release.Format_version _Release.Date _Release.Submission_date _Release.Type _Release.Author _Release.Detail _Release.Entry_ID 2 . . 2007-02-09 2006-05-11 update BMRB 'complete entry citation' 7106 1 . . 2006-08-15 2006-05-11 original author 'original release' 7106 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 7106 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 16964532 _Citation.Full_citation . _Citation.Title 'NMR assignment of Human RGS18' _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'J. Biomol. NMR' _Citation.Journal_name_full . _Citation.Journal_volume 36 _Citation.Journal_issue 'Suppl. 5' _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 72 _Citation.Page_last 72 _Citation.Year 2006 _Citation.Details 'Letter to the Editor' 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 Victoria Higman . A. . 7106 1 2 Martina Leidert . . . 7106 1 3 Annette Diehl . . . 7106 1 4 Jonathan Elkins . . . 7106 1 5 Meera Soundararajan . . . 7106 1 6 Hartmut Oschkinat . . . 7106 1 7 Linda Ball . J. . 7106 1 stop_ save_ save_cyana1 _Citation.Sf_category citations _Citation.Sf_framecode cyana1 _Citation.Entry_ID 7106 _Citation.ID 2 _Citation.Class 'reference citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 9367762 _Citation.Full_citation . _Citation.Title 'Torsion angle dynamics for NMR structure calculation with the new program DYANA' _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'J. Mol. Biol.' _Citation.Journal_name_full . _Citation.Journal_volume 273 _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 283 _Citation.Page_last 298 _Citation.Year 1997 _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 Peter Guntert . . . 7106 2 2 Christian Mumenthaler . . . 7106 2 3 Kurt Wuthrich . . . 7106 2 stop_ save_ save_cyana2 _Citation.Sf_category citations _Citation.Sf_framecode cyana2 _Citation.Entry_ID 7106 _Citation.ID 3 _Citation.Class 'reference citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 12051947 _Citation.Full_citation . _Citation.Title 'Protein NMR structure determination with automated NOE assignment using the new software CANDID and the torsion angle dynamics algorithm DYANA' _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'J. Mol. Biol.' _Citation.Journal_name_full . _Citation.Journal_volume 319 _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 209 _Citation.Page_last 227 _Citation.Year 2002 _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 Thorsten Herrmann . . . 7106 3 2 Peter Guntert . . . 7106 3 3 Kurt Wuthrich . . . 7106 3 stop_ save_ save_ccpn _Citation.Sf_category citations _Citation.Sf_framecode ccpn _Citation.Entry_ID 7106 _Citation.ID 4 _Citation.Class 'reference citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 15815974 _Citation.Full_citation . _Citation.Title 'The CCPN Data Model for NMR Spectroscopy: Development of a Software Pipeline' _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev Proteins _Citation.Journal_name_full . _Citation.Journal_volume 59 _Citation.Journal_issue 4 _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 687 _Citation.Page_last 696 _Citation.Year 2005 _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 Wim Vranken . F. . 7106 4 2 Wayne Boucher . . . 7106 4 3 Tim Stevens . J. . 7106 4 4 Rasmus Fogh . H. . 7106 4 5 Anne Pajon . . . 7106 4 6 Miguel Llinas . . . 7106 4 7 Eldon Ulrich . L. . 7106 4 8 John Markley . L. . 7106 4 9 John Ionides . . . 7106 4 10 Ernest Laue . D. . 7106 4 stop_ save_ save_xplor _Citation.Sf_category citations _Citation.Sf_framecode xplor _Citation.Entry_ID 7106 _Citation.ID 5 _Citation.Class 'reference citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID . _Citation.Full_citation . _Citation.Title 'The Xplor-NIH NMR Molecular Structure Determination Package' _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'J. Magn. Reson.' _Citation.Journal_name_full . _Citation.Journal_volume 160 _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 66 _Citation.Page_last 74 _Citation.Year 2003 _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 Charles Schwieters . D. . 7106 5 2 John Kuszewski . J. . 7106 5 3 Nico Tjandra . . . 7106 5 4 Marius Clore . . . 7106 5 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 7106 _Assembly.ID 1 _Assembly.Name 'RGS18 monomer' _Assembly.BMRB_code . _Assembly.Number_of_components 1 _Assembly.Organic_ligands 0 _Assembly.Metal_ions 0 _Assembly.Non_standard_bonds . _Assembly.Ambiguous_conformational_states no _Assembly.Ambiguous_chem_comp_sites no _Assembly.Molecules_in_chemical_exchange no _Assembly.Paramagnetic no _Assembly.Thiol_state 'all free' _Assembly.Molecular_mass 17760 _Assembly.Enzyme_commission_number . _Assembly.Details Monomeric _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Assembly_type.Type _Assembly_type.Entry_ID _Assembly_type.Assembly_ID protein 7106 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 RGS18 1 $RGS18_polypeptide . . no native no no . . . 7106 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_RGS18_polypeptide _Entity.Sf_category entity _Entity.Sf_framecode RGS18_polypeptide _Entity.Entry_ID 7106 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name RGS18 _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 ; SMVSPEEAVKWGESFDKLLS HRDGLEAFTRFLKTEFSEEN IEFWIACEDFKKSKGPQQIH LKAKAIYEKFIQTDAPKEVN LDFHTKEVITNSITQPTLHS FDAAQSRVYQLMEQDSYTRF LKSDIYLDLMEGRPQRPTNL RRRSRSFTCNE ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states no _Entity.Ambiguous_chem_comp_sites no _Entity.Nstd_monomer no _Entity.Nstd_chirality no _Entity.Nstd_linkage no _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 151 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _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 17760 _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 2DLV . "Solution Structure Of The Rgs Domain Of Human Regulator Of G-Protein Signaling 18" . . . . . 87.42 140 97.73 97.73 4.55e-89 . . . . 7106 1 2 no PDB 2JM5 . "Solution Structure Of The Rgs Domain From Human Rgs18" . . . . . 100.00 151 100.00 100.00 7.03e-108 . . . . 7106 1 3 no PDB 2OWI . "Solution Structure Of The Rgs Domain From Human Rgs18" . . . . . 100.00 151 100.00 100.00 7.03e-108 . . . . 7106 1 4 no DBJ BAF84704 . "unnamed protein product [Homo sapiens]" . . . . . 98.68 235 99.33 99.33 1.95e-104 . . . . 7106 1 5 no DBJ BAG37770 . "unnamed protein product [Homo sapiens]" . . . . . 98.68 235 100.00 100.00 1.02e-105 . . . . 7106 1 6 no DBJ BAG51866 . "unnamed protein product [Homo sapiens]" . . . . . 98.68 235 99.33 99.33 9.51e-105 . . . . 7106 1 7 no DBJ BAI46194 . "regulator of G-protein signaling 18 [synthetic construct]" . . . . . 98.68 235 100.00 100.00 1.02e-105 . . . . 7106 1 8 no GB AAF80227 . "regulator of G-protein signaling 13 [Homo sapiens]" . . . . . 98.68 235 100.00 100.00 1.02e-105 . . . . 7106 1 9 no GB AAH20632 . "Regulator of G-protein signaling 18 [Homo sapiens]" . . . . . 98.68 235 100.00 100.00 1.02e-105 . . . . 7106 1 10 no GB AAK58589 . "regulator of G-protein signaling 18 [Homo sapiens]" . . . . . 98.68 235 100.00 100.00 1.02e-105 . . . . 7106 1 11 no GB ABM82319 . "regulator of G-protein signalling 18 [synthetic construct]" . . . . . 98.68 235 100.00 100.00 1.02e-105 . . . . 7106 1 12 no GB ABM85495 . "regulator of G-protein signalling 18 [synthetic construct]" . . . . . 98.68 235 100.00 100.00 1.02e-105 . . . . 7106 1 13 no REF NP_570138 . "regulator of G-protein signaling 18 [Homo sapiens]" . . . . . 98.68 235 100.00 100.00 1.02e-105 . . . . 7106 1 14 no REF XP_001113061 . "PREDICTED: regulator of G-protein signaling 18 [Macaca mulatta]" . . . . . 98.68 235 97.99 99.33 3.15e-103 . . . . 7106 1 15 no REF XP_002809731 . "PREDICTED: regulator of G-protein signaling 18 [Pongo abelii]" . . . . . 98.68 235 98.66 99.33 1.07e-104 . . . . 7106 1 16 no REF XP_003264531 . "PREDICTED: regulator of G-protein signaling 18 [Nomascus leucogenys]" . . . . . 98.68 235 98.66 99.33 1.14e-103 . . . . 7106 1 17 no REF XP_003820638 . "PREDICTED: regulator of G-protein signaling 18 [Pan paniscus]" . . . . . 98.68 235 99.33 99.33 3.76e-105 . . . . 7106 1 18 no SP Q9NS28 . "RecName: Full=Regulator of G-protein signaling 18; Short=RGS18 [Homo sapiens]" . . . . . 98.68 235 100.00 100.00 1.02e-105 . . . . 7106 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 1 SER . 7106 1 2 2 MET . 7106 1 3 3 VAL . 7106 1 4 4 SER . 7106 1 5 5 PRO . 7106 1 6 6 GLU . 7106 1 7 7 GLU . 7106 1 8 8 ALA . 7106 1 9 9 VAL . 7106 1 10 10 LYS . 7106 1 11 11 TRP . 7106 1 12 12 GLY . 7106 1 13 13 GLU . 7106 1 14 14 SER . 7106 1 15 15 PHE . 7106 1 16 16 ASP . 7106 1 17 17 LYS . 7106 1 18 18 LEU . 7106 1 19 19 LEU . 7106 1 20 20 SER . 7106 1 21 21 HIS . 7106 1 22 22 ARG . 7106 1 23 23 ASP . 7106 1 24 24 GLY . 7106 1 25 25 LEU . 7106 1 26 26 GLU . 7106 1 27 27 ALA . 7106 1 28 28 PHE . 7106 1 29 29 THR . 7106 1 30 30 ARG . 7106 1 31 31 PHE . 7106 1 32 32 LEU . 7106 1 33 33 LYS . 7106 1 34 34 THR . 7106 1 35 35 GLU . 7106 1 36 36 PHE . 7106 1 37 37 SER . 7106 1 38 38 GLU . 7106 1 39 39 GLU . 7106 1 40 40 ASN . 7106 1 41 41 ILE . 7106 1 42 42 GLU . 7106 1 43 43 PHE . 7106 1 44 44 TRP . 7106 1 45 45 ILE . 7106 1 46 46 ALA . 7106 1 47 47 CYS . 7106 1 48 48 GLU . 7106 1 49 49 ASP . 7106 1 50 50 PHE . 7106 1 51 51 LYS . 7106 1 52 52 LYS . 7106 1 53 53 SER . 7106 1 54 54 LYS . 7106 1 55 55 GLY . 7106 1 56 56 PRO . 7106 1 57 57 GLN . 7106 1 58 58 GLN . 7106 1 59 59 ILE . 7106 1 60 60 HIS . 7106 1 61 61 LEU . 7106 1 62 62 LYS . 7106 1 63 63 ALA . 7106 1 64 64 LYS . 7106 1 65 65 ALA . 7106 1 66 66 ILE . 7106 1 67 67 TYR . 7106 1 68 68 GLU . 7106 1 69 69 LYS . 7106 1 70 70 PHE . 7106 1 71 71 ILE . 7106 1 72 72 GLN . 7106 1 73 73 THR . 7106 1 74 74 ASP . 7106 1 75 75 ALA . 7106 1 76 76 PRO . 7106 1 77 77 LYS . 7106 1 78 78 GLU . 7106 1 79 79 VAL . 7106 1 80 80 ASN . 7106 1 81 81 LEU . 7106 1 82 82 ASP . 7106 1 83 83 PHE . 7106 1 84 84 HIS . 7106 1 85 85 THR . 7106 1 86 86 LYS . 7106 1 87 87 GLU . 7106 1 88 88 VAL . 7106 1 89 89 ILE . 7106 1 90 90 THR . 7106 1 91 91 ASN . 7106 1 92 92 SER . 7106 1 93 93 ILE . 7106 1 94 94 THR . 7106 1 95 95 GLN . 7106 1 96 96 PRO . 7106 1 97 97 THR . 7106 1 98 98 LEU . 7106 1 99 99 HIS . 7106 1 100 100 SER . 7106 1 101 101 PHE . 7106 1 102 102 ASP . 7106 1 103 103 ALA . 7106 1 104 104 ALA . 7106 1 105 105 GLN . 7106 1 106 106 SER . 7106 1 107 107 ARG . 7106 1 108 108 VAL . 7106 1 109 109 TYR . 7106 1 110 110 GLN . 7106 1 111 111 LEU . 7106 1 112 112 MET . 7106 1 113 113 GLU . 7106 1 114 114 GLN . 7106 1 115 115 ASP . 7106 1 116 116 SER . 7106 1 117 117 TYR . 7106 1 118 118 THR . 7106 1 119 119 ARG . 7106 1 120 120 PHE . 7106 1 121 121 LEU . 7106 1 122 122 LYS . 7106 1 123 123 SER . 7106 1 124 124 ASP . 7106 1 125 125 ILE . 7106 1 126 126 TYR . 7106 1 127 127 LEU . 7106 1 128 128 ASP . 7106 1 129 129 LEU . 7106 1 130 130 MET . 7106 1 131 131 GLU . 7106 1 132 132 GLY . 7106 1 133 133 ARG . 7106 1 134 134 PRO . 7106 1 135 135 GLN . 7106 1 136 136 ARG . 7106 1 137 137 PRO . 7106 1 138 138 THR . 7106 1 139 139 ASN . 7106 1 140 140 LEU . 7106 1 141 141 ARG . 7106 1 142 142 ARG . 7106 1 143 143 ARG . 7106 1 144 144 SER . 7106 1 145 145 ARG . 7106 1 146 146 SER . 7106 1 147 147 PHE . 7106 1 148 148 THR . 7106 1 149 149 CYS . 7106 1 150 150 ASN . 7106 1 151 151 GLU . 7106 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 . SER 1 1 7106 1 . MET 2 2 7106 1 . VAL 3 3 7106 1 . SER 4 4 7106 1 . PRO 5 5 7106 1 . GLU 6 6 7106 1 . GLU 7 7 7106 1 . ALA 8 8 7106 1 . VAL 9 9 7106 1 . LYS 10 10 7106 1 . TRP 11 11 7106 1 . GLY 12 12 7106 1 . GLU 13 13 7106 1 . SER 14 14 7106 1 . PHE 15 15 7106 1 . ASP 16 16 7106 1 . LYS 17 17 7106 1 . LEU 18 18 7106 1 . LEU 19 19 7106 1 . SER 20 20 7106 1 . HIS 21 21 7106 1 . ARG 22 22 7106 1 . ASP 23 23 7106 1 . GLY 24 24 7106 1 . LEU 25 25 7106 1 . GLU 26 26 7106 1 . ALA 27 27 7106 1 . PHE 28 28 7106 1 . THR 29 29 7106 1 . ARG 30 30 7106 1 . PHE 31 31 7106 1 . LEU 32 32 7106 1 . LYS 33 33 7106 1 . THR 34 34 7106 1 . GLU 35 35 7106 1 . PHE 36 36 7106 1 . SER 37 37 7106 1 . GLU 38 38 7106 1 . GLU 39 39 7106 1 . ASN 40 40 7106 1 . ILE 41 41 7106 1 . GLU 42 42 7106 1 . PHE 43 43 7106 1 . TRP 44 44 7106 1 . ILE 45 45 7106 1 . ALA 46 46 7106 1 . CYS 47 47 7106 1 . GLU 48 48 7106 1 . ASP 49 49 7106 1 . PHE 50 50 7106 1 . LYS 51 51 7106 1 . LYS 52 52 7106 1 . SER 53 53 7106 1 . LYS 54 54 7106 1 . GLY 55 55 7106 1 . PRO 56 56 7106 1 . GLN 57 57 7106 1 . GLN 58 58 7106 1 . ILE 59 59 7106 1 . HIS 60 60 7106 1 . LEU 61 61 7106 1 . LYS 62 62 7106 1 . ALA 63 63 7106 1 . LYS 64 64 7106 1 . ALA 65 65 7106 1 . ILE 66 66 7106 1 . TYR 67 67 7106 1 . GLU 68 68 7106 1 . LYS 69 69 7106 1 . PHE 70 70 7106 1 . ILE 71 71 7106 1 . GLN 72 72 7106 1 . THR 73 73 7106 1 . ASP 74 74 7106 1 . ALA 75 75 7106 1 . PRO 76 76 7106 1 . LYS 77 77 7106 1 . GLU 78 78 7106 1 . VAL 79 79 7106 1 . ASN 80 80 7106 1 . LEU 81 81 7106 1 . ASP 82 82 7106 1 . PHE 83 83 7106 1 . HIS 84 84 7106 1 . THR 85 85 7106 1 . LYS 86 86 7106 1 . GLU 87 87 7106 1 . VAL 88 88 7106 1 . ILE 89 89 7106 1 . THR 90 90 7106 1 . ASN 91 91 7106 1 . SER 92 92 7106 1 . ILE 93 93 7106 1 . THR 94 94 7106 1 . GLN 95 95 7106 1 . PRO 96 96 7106 1 . THR 97 97 7106 1 . LEU 98 98 7106 1 . HIS 99 99 7106 1 . SER 100 100 7106 1 . PHE 101 101 7106 1 . ASP 102 102 7106 1 . ALA 103 103 7106 1 . ALA 104 104 7106 1 . GLN 105 105 7106 1 . SER 106 106 7106 1 . ARG 107 107 7106 1 . VAL 108 108 7106 1 . TYR 109 109 7106 1 . GLN 110 110 7106 1 . LEU 111 111 7106 1 . MET 112 112 7106 1 . GLU 113 113 7106 1 . GLN 114 114 7106 1 . ASP 115 115 7106 1 . SER 116 116 7106 1 . TYR 117 117 7106 1 . THR 118 118 7106 1 . ARG 119 119 7106 1 . PHE 120 120 7106 1 . LEU 121 121 7106 1 . LYS 122 122 7106 1 . SER 123 123 7106 1 . ASP 124 124 7106 1 . ILE 125 125 7106 1 . TYR 126 126 7106 1 . LEU 127 127 7106 1 . ASP 128 128 7106 1 . LEU 129 129 7106 1 . MET 130 130 7106 1 . GLU 131 131 7106 1 . GLY 132 132 7106 1 . ARG 133 133 7106 1 . PRO 134 134 7106 1 . GLN 135 135 7106 1 . ARG 136 136 7106 1 . PRO 137 137 7106 1 . THR 138 138 7106 1 . ASN 139 139 7106 1 . LEU 140 140 7106 1 . ARG 141 141 7106 1 . ARG 142 142 7106 1 . ARG 143 143 7106 1 . SER 144 144 7106 1 . ARG 145 145 7106 1 . SER 146 146 7106 1 . PHE 147 147 7106 1 . THR 148 148 7106 1 . CYS 149 149 7106 1 . ASN 150 150 7106 1 . GLU 151 151 7106 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 7106 _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 $RGS18_polypeptide . 9606 . no . Human . . Eukaryota Metazoa Homo sapiens . . . . . . . . . . . . . . . . . . . . . 7106 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 7106 _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 $RGS18_polypeptide . 'recombinant technology' . 'E. coli' 'BL21(DE3)-Rosetta (Novagen). BL21(DE3)strain enriched with genes that encode rare tRNAs' . . . . . . . . . . . . . . . . . . . . . . . . . . 7106 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 7106 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details '15N labelled RGS18' _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 RGS18 '[U-95% 15N]' . . 1 $RGS18_polypeptide . . 1.0 . . mM . . . . 7106 1 2 'Sodium Phosphate buffer' . . . . . . . 20 . . mM . . . . 7106 1 3 'sodium chloride' . . . . . . . 50 . . mM . . . . 7106 1 stop_ save_ save_sample_2 _Sample.Sf_category sample _Sample.Sf_framecode sample_2 _Sample.Entry_ID 7106 _Sample.ID 2 _Sample.Type solution _Sample.Sub_type . _Sample.Details '15N,13C labelled RGS18' _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 RGS18 '[U-95% 15N; U-95% 13C]' . . 1 $RGS18_polypeptide . . 1.0 . . mM . . . . 7106 2 2 'Sodium Phosphate buffer' . . . . . . . 20 . . mM . . . . 7106 2 3 'sodium chloride' . . . . . . . 50 . . mM . . . . 7106 2 stop_ save_ save_sample_3 _Sample.Sf_category sample _Sample.Sf_framecode sample_3 _Sample.Entry_ID 7106 _Sample.ID 3 _Sample.Type solution _Sample.Sub_type . _Sample.Details '15N,13C labelled RGS18 in 100% D2O, made from freeze-dried sample2' _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 RGS18 '[U-95% 15N; U-95% 13C]' . . 1 $RGS18_polypeptide . . 1.0 . . mM . . . . 7106 3 2 'Sodium Phosphate buffer' . . . . . . . 20 . . mM . . . . 7106 3 3 'sodium chloride' . . . . . . . 50 . . mM . . . . 7106 3 4 D2O . . . . . . . 100 . . % . . . . 7106 3 stop_ save_ ####################### # Sample conditions # ####################### save_conditions_1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode conditions_1 _Sample_condition_list.Entry_ID 7106 _Sample_condition_list.ID 1 _Sample_condition_list.Details 'pH 6.0, 297 K' 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 6.0 0.05 pH 7106 1 temperature 297.0 0.2 K 7106 1 stop_ save_ ############################ # Computer software used # ############################ save_XWIN-NMR _Software.Sf_category software _Software.Sf_framecode XWIN-NMR _Software.Entry_ID 7106 _Software.ID 1 _Software.Name XWIN-NMR _Software.Version 2.6 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID Bruker . . 7106 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID processing 7106 1 stop_ save_ save_CCPNMR_Analysis _Software.Sf_category software _Software.Sf_framecode CCPNMR_Analysis _Software.Entry_ID 7106 _Software.ID 2 _Software.Name ANALYSIS _Software.Version 1.0.9-10 _Software.Details . loop_ _Task.Task _Task.Entry_ID _Task.Software_ID assignment 7106 2 stop_ loop_ _Software_citation.Citation_ID _Software_citation.Citation_label _Software_citation.Entry_ID _Software_citation.Software_ID 4 $ccpn 7106 2 stop_ save_ save_CYANA _Software.Sf_category software _Software.Sf_framecode CYANA _Software.Entry_ID 7106 _Software.ID 3 _Software.Name CYANA _Software.Version 2.0 _Software.Details . loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'automated NOESY peak assignment' 7106 3 stop_ loop_ _Software_citation.Citation_ID _Software_citation.Citation_label _Software_citation.Entry_ID _Software_citation.Software_ID 2 $cyana1 7106 3 3 $cyana2 7106 3 stop_ save_ save_XPLOR-NIH _Software.Sf_category software _Software.Sf_framecode XPLOR-NIH _Software.Entry_ID 7106 _Software.ID 4 _Software.Name 'X-PLOR NIH' _Software.Version . _Software.Details . loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'structure refinement' 7106 4 stop_ loop_ _Software_citation.Citation_ID _Software_citation.Citation_label _Software_citation.Entry_ID _Software_citation.Software_ID 5 $xplor 7106 4 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_600MHz_spectrometer _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode 600MHz_spectrometer _NMR_spectrometer.Entry_ID 7106 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details ; standard configuration with triple resonance cryogenic probe equipped with self-shielded single axis gradient coils ; _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model DRX _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ save_750MHz_spectrometer _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode 750MHz_spectrometer _NMR_spectrometer.Entry_ID 7106 _NMR_spectrometer.ID 2 _NMR_spectrometer.Details ; standard configuration with triple resonance cryogenic probe equipped with self-shielded single axis gradient coils ; _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model DMX _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 750 save_ save_600_MHz_spectrometer _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode 600_MHz_spectrometer _NMR_spectrometer.Entry_ID 7106 _NMR_spectrometer.ID 3 _NMR_spectrometer.Details ; standard configuration with triple resonance probe equipped with self-shielded triple axis gradient coils ; _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model DRX _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ ############################# # NMR applied experiments # ############################# save_NMR_experiment_list _Experiment_list.Sf_category experiment_list _Experiment_list.Sf_framecode NMR_experiment_list _Experiment_list.Entry_ID 7106 _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 '1H15N HSQC' no . . . . . . . . . . 1 $sample_1 . . . 1 $conditions_1 . . . . . . . . . . . . . . . . . . . . . 7106 1 2 '3D HNCO' no . . . . . . . . . . 2 $sample_2 . . . 1 $conditions_1 . . . . . . . . . . . . . . . . . . . . . 7106 1 3 '3D CBCA(CO)NNH' no . . . . . . . . . . 2 $sample_2 . . . 1 $conditions_1 . . . . . . . . . . . . . . . . . . . . . 7106 1 4 '3D CBCACONNH' no . . . . . . . . . . 2 $sample_2 . . . 1 $conditions_1 . . . . . . . . . . . . . . . . . . . . . 7106 1 5 '3D HN(CA)CO' no . . . . . . . . . . 2 $sample_2 . . . 1 $conditions_1 . . . . . . . . . . . . . . . . . . . . . 7106 1 6 '3D CCC(CO)NNH' no . . . . . . . . . . 2 $sample_2 . . . 1 $conditions_1 . . . . . . . . . . . . . . . . . . . . . 7106 1 7 '3D H(CCO)NNH' no . . . . . . . . . . 2 $sample_2 . . . 1 $conditions_1 . . . . . . . . . . . . . . . . . . . . . 7106 1 8 '3D HBHA(CO)NNH' no . . . . . . . . . . 2 $sample_2 . . . 1 $conditions_1 . . . . . . . . . . . . . . . . . . . . . 7106 1 9 '3D HCCH TOCSY' no . . . . . . . . . . 2 $sample_2 . . . 1 $conditions_1 . . . . . . . . . . . . . . . . . . . . . 7106 1 10 '3D HCCH COSY' no . . . . . . . . . . 2 $sample_2 . . . 1 $conditions_1 . . . . . . . . . . . . . . . . . . . . . 7106 1 11 '3D 15N-NOESY-HSQC' no . . . . . . . . . . 2 $sample_2 . . . 1 $conditions_1 . . . . . . . . . . . . . . . . . . . . . 7106 1 12 '3D 13C-HMQC-NOESY' no . . . . . . . . . . 2 $sample_2 . . . 1 $conditions_1 . . . . . . . . . . . . . . . . . . . . . 7106 1 13 '3D 13C-NOESY-HSQC' no . . . . . . . . . . 2 $sample_2 . . . 1 $conditions_1 . . . . . . . . . . . . . . . . . . . . . 7106 1 14 1H13C-HMQC no . . . . . . . . . . 3 $sample_3 . . . 1 $conditions_1 . . . . . . . . . . . . . . . . . . . . . 7106 1 15 '2D TOCSY' no . . . . . . . . . . . . . . . 1 $conditions_1 . . . . . . . . . . . . . . . . . . . . . 7106 1 stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_referencing _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chemical_shift_referencing _Chem_shift_reference.Entry_ID 7106 _Chem_shift_reference.ID 1 _Chem_shift_reference.Details . loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Indirect_shift_ratio_cit_ID _Chem_shift_ref.Indirect_shift_ratio_cit_label _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Correction_val_cit_ID _Chem_shift_ref.Correction_val_cit_label _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C 13 DSS 'methyl protons' . . . . ppm 0.0 . indirect 0.251449530 . . . . . . . . . 7106 1 H 1 DSS 'methyl protons' . . . . ppm 0.0 internal direct 1.0 . . . . . . . . . 7106 1 N 15 DSS 'methyl protons' . . . . ppm 0.0 . indirect 0.101329118 . . . . . . . . . 7106 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_chem_shift_list_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode chem_shift_list_1 _Assigned_chem_shift_list.Entry_ID 7106 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_referencing _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 1H15N_HSQC 1 $sample_1 isotropic 7106 1 2 3D_HNCO 2 $sample_2 isotropic 7106 1 3 3D_CBCA(CO)NNH 2 $sample_2 isotropic 7106 1 4 3D_CBCACONNH 2 $sample_2 isotropic 7106 1 5 3D_HN(CA)CO 2 $sample_2 isotropic 7106 1 6 3D_CCC(CO)NNH 2 $sample_2 isotropic 7106 1 7 3D_H(CCO)NNH 2 $sample_2 isotropic 7106 1 8 3D_HBHA(CO)NNH 2 $sample_2 isotropic 7106 1 9 3D_HCCH_TOCSY 2 $sample_2 isotropic 7106 1 10 3D_HCCH_COSY 2 $sample_2 isotropic 7106 1 14 1H13C-HMQC 3 $sample_3 isotropic 7106 1 stop_ loop_ _Chem_shift_software.Software_ID _Chem_shift_software.Software_label _Chem_shift_software.Method_ID _Chem_shift_software.Method_label _Chem_shift_software.Entry_ID _Chem_shift_software.Assigned_chem_shift_list_ID 2 $CCPNMR_Analysis . . 7106 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 1 1 SER HA H 1 4.098 0.010 . 1 . . . . 1 SER HA . 7106 1 2 . 1 1 1 1 SER HB2 H 1 3.938 0.010 . 1 . . . . 1 SER HB2 . 7106 1 3 . 1 1 1 1 SER HB3 H 1 3.938 0.010 . 1 . . . . 1 SER HB3 . 7106 1 4 . 1 1 1 1 SER CA C 13 56.740 0.100 . 1 . . . . 1 SER CA . 7106 1 5 . 1 1 1 1 SER CB C 13 62.866 0.100 . 1 . . . . 1 SER CB . 7106 1 6 . 1 1 2 2 MET H H 1 8.722 0.010 . 1 . . . . 2 MET H . 7106 1 7 . 1 1 2 2 MET HA H 1 4.536 0.010 . 1 . . . . 2 MET HA . 7106 1 8 . 1 1 2 2 MET HB2 H 1 2.006 0.010 . 2 . . . . 2 MET HB2 . 7106 1 9 . 1 1 2 2 MET HB3 H 1 1.997 0.010 . 2 . . . . 2 MET HB3 . 7106 1 10 . 1 1 2 2 MET HG2 H 1 2.523 0.010 . 1 . . . . 2 MET HG2 . 7106 1 11 . 1 1 2 2 MET HG3 H 1 2.523 0.010 . 1 . . . . 2 MET HG3 . 7106 1 12 . 1 1 2 2 MET HE1 H 1 2.044 0.010 . 1 . . . . 2 MET HE . 7106 1 13 . 1 1 2 2 MET HE2 H 1 2.044 0.010 . 1 . . . . 2 MET HE . 7106 1 14 . 1 1 2 2 MET HE3 H 1 2.044 0.010 . 1 . . . . 2 MET HE . 7106 1 15 . 1 1 2 2 MET C C 13 175.509 0.100 . 1 . . . . 2 MET C . 7106 1 16 . 1 1 2 2 MET CA C 13 54.917 0.100 . 1 . . . . 2 MET CA . 7106 1 17 . 1 1 2 2 MET CB C 13 32.501 0.100 . 1 . . . . 2 MET CB . 7106 1 18 . 1 1 2 2 MET CG C 13 31.267 0.100 . 1 . . . . 2 MET CG . 7106 1 19 . 1 1 2 2 MET CE C 13 16.346 0.100 . 1 . . . . 2 MET CE . 7106 1 20 . 1 1 2 2 MET N N 15 121.579 0.050 . 1 . . . . 2 MET N . 7106 1 21 . 1 1 3 3 VAL H H 1 8.262 0.010 . 1 . . . . 3 VAL H . 7106 1 22 . 1 1 3 3 VAL HA H 1 4.143 0.010 . 1 . . . . 3 VAL HA . 7106 1 23 . 1 1 3 3 VAL HB H 1 2.017 0.010 . 1 . . . . 3 VAL HB . 7106 1 24 . 1 1 3 3 VAL HG11 H 1 0.870 0.010 . 2 . . . . 3 VAL HG1 . 7106 1 25 . 1 1 3 3 VAL HG12 H 1 0.870 0.010 . 2 . . . . 3 VAL HG1 . 7106 1 26 . 1 1 3 3 VAL HG13 H 1 0.870 0.010 . 2 . . . . 3 VAL HG1 . 7106 1 27 . 1 1 3 3 VAL HG21 H 1 0.996 0.010 . 2 . . . . 3 VAL HG2 . 7106 1 28 . 1 1 3 3 VAL HG22 H 1 0.996 0.010 . 2 . . . . 3 VAL HG2 . 7106 1 29 . 1 1 3 3 VAL HG23 H 1 0.996 0.010 . 2 . . . . 3 VAL HG2 . 7106 1 30 . 1 1 3 3 VAL C C 13 174.708 0.100 . 1 . . . . 3 VAL C . 7106 1 31 . 1 1 3 3 VAL CA C 13 61.043 0.100 . 1 . . . . 3 VAL CA . 7106 1 32 . 1 1 3 3 VAL CB C 13 32.627 0.100 . 1 . . . . 3 VAL CB . 7106 1 33 . 1 1 3 3 VAL CG1 C 13 20.936 0.100 . 2 . . . . 3 VAL CG1 . 7106 1 34 . 1 1 3 3 VAL CG2 C 13 21.101 0.100 . 2 . . . . 3 VAL CG2 . 7106 1 35 . 1 1 3 3 VAL N N 15 123.582 0.050 . 1 . . . . 3 VAL N . 7106 1 36 . 1 1 4 4 SER H H 1 8.595 0.010 . 1 . . . . 4 SER H . 7106 1 37 . 1 1 4 4 SER HA H 1 4.099 0.010 . 1 . . . . 4 SER HA . 7106 1 38 . 1 1 4 4 SER HB2 H 1 3.949 0.010 . 1 . . . . 4 SER HB2 . 7106 1 39 . 1 1 4 4 SER HB3 H 1 3.949 0.010 . 1 . . . . 4 SER HB3 . 7106 1 40 . 1 1 4 4 SER C C 13 173.492 0.100 . 1 . . . . 4 SER C . 7106 1 41 . 1 1 4 4 SER CA C 13 55.465 0.100 . 1 . . . . 4 SER CA . 7106 1 42 . 1 1 4 4 SER CB C 13 62.697 0.100 . 1 . . . . 4 SER CB . 7106 1 43 . 1 1 4 4 SER N N 15 123.184 0.050 . 1 . . . . 4 SER N . 7106 1 44 . 1 1 5 5 PRO HA H 1 4.029 0.010 . 1 . . . . 5 PRO HA . 7106 1 45 . 1 1 5 5 PRO HB2 H 1 1.754 0.010 . 2 . . . . 5 PRO HB2 . 7106 1 46 . 1 1 5 5 PRO HB3 H 1 2.322 0.010 . 2 . . . . 5 PRO HB3 . 7106 1 47 . 1 1 5 5 PRO HG2 H 1 1.983 0.010 . 1 . . . . 5 PRO HG2 . 7106 1 48 . 1 1 5 5 PRO HG3 H 1 1.983 0.010 . 1 . . . . 5 PRO HG3 . 7106 1 49 . 1 1 5 5 PRO HD2 H 1 3.761 0.010 . 2 . . . . 5 PRO HD2 . 7106 1 50 . 1 1 5 5 PRO HD3 H 1 3.585 0.010 . 2 . . . . 5 PRO HD3 . 7106 1 51 . 1 1 5 5 PRO C C 13 177.729 0.100 . 1 . . . . 5 PRO C . 7106 1 52 . 1 1 5 5 PRO CA C 13 64.927 0.100 . 1 . . . . 5 PRO CA . 7106 1 53 . 1 1 5 5 PRO CB C 13 31.403 0.100 . 1 . . . . 5 PRO CB . 7106 1 54 . 1 1 5 5 PRO CG C 13 27.319 0.100 . 1 . . . . 5 PRO CG . 7106 1 55 . 1 1 5 5 PRO CD C 13 50.003 0.100 . 1 . . . . 5 PRO CD . 7106 1 56 . 1 1 6 6 GLU H H 1 8.284 0.010 . 1 . . . . 6 GLU H . 7106 1 57 . 1 1 6 6 GLU HA H 1 3.789 0.010 . 1 . . . . 6 GLU HA . 7106 1 58 . 1 1 6 6 GLU HB2 H 1 1.872 0.010 . 1 . . . . 6 GLU HB2 . 7106 1 59 . 1 1 6 6 GLU HB3 H 1 1.872 0.010 . 1 . . . . 6 GLU HB3 . 7106 1 60 . 1 1 6 6 GLU HG2 H 1 2.198 0.010 . 1 . . . . 6 GLU HG2 . 7106 1 61 . 1 1 6 6 GLU HG3 H 1 2.198 0.010 . 1 . . . . 6 GLU HG3 . 7106 1 62 . 1 1 6 6 GLU C C 13 178.673 0.100 . 1 . . . . 6 GLU C . 7106 1 63 . 1 1 6 6 GLU CA C 13 58.978 0.100 . 1 . . . . 6 GLU CA . 7106 1 64 . 1 1 6 6 GLU CB C 13 28.392 0.100 . 1 . . . . 6 GLU CB . 7106 1 65 . 1 1 6 6 GLU CG C 13 36.201 0.100 . 1 . . . . 6 GLU CG . 7106 1 66 . 1 1 6 6 GLU N N 15 114.692 0.050 . 1 . . . . 6 GLU N . 7106 1 67 . 1 1 7 7 GLU H H 1 7.436 0.010 . 1 . . . . 7 GLU H . 7106 1 68 . 1 1 7 7 GLU HA H 1 3.908 0.010 . 1 . . . . 7 GLU HA . 7106 1 69 . 1 1 7 7 GLU HB2 H 1 1.997 0.010 . 2 . . . . 7 GLU HB2 . 7106 1 70 . 1 1 7 7 GLU HB3 H 1 1.774 0.010 . 2 . . . . 7 GLU HB3 . 7106 1 71 . 1 1 7 7 GLU HG2 H 1 2.223 0.010 . 1 . . . . 7 GLU HG2 . 7106 1 72 . 1 1 7 7 GLU HG3 H 1 2.223 0.010 . 1 . . . . 7 GLU HG3 . 7106 1 73 . 1 1 7 7 GLU C C 13 177.608 0.100 . 1 . . . . 7 GLU C . 7106 1 74 . 1 1 7 7 GLU CA C 13 57.511 0.100 . 1 . . . . 7 GLU CA . 7106 1 75 . 1 1 7 7 GLU CB C 13 28.900 0.100 . 1 . . . . 7 GLU CB . 7106 1 76 . 1 1 7 7 GLU CG C 13 35.986 0.100 . 1 . . . . 7 GLU CG . 7106 1 77 . 1 1 7 7 GLU N N 15 118.535 0.050 . 1 . . . . 7 GLU N . 7106 1 78 . 1 1 8 8 ALA H H 1 7.360 0.010 . 1 . . . . 8 ALA H . 7106 1 79 . 1 1 8 8 ALA HA H 1 1.905 0.010 . 1 . . . . 8 ALA HA . 7106 1 80 . 1 1 8 8 ALA HB1 H 1 0.485 0.010 . 1 . . . . 8 ALA HB . 7106 1 81 . 1 1 8 8 ALA HB2 H 1 0.485 0.010 . 1 . . . . 8 ALA HB . 7106 1 82 . 1 1 8 8 ALA HB3 H 1 0.485 0.010 . 1 . . . . 8 ALA HB . 7106 1 83 . 1 1 8 8 ALA C C 13 181.123 0.100 . 1 . . . . 8 ALA C . 7106 1 84 . 1 1 8 8 ALA CA C 13 52.745 0.100 . 1 . . . . 8 ALA CA . 7106 1 85 . 1 1 8 8 ALA CB C 13 16.303 0.100 . 1 . . . . 8 ALA CB . 7106 1 86 . 1 1 8 8 ALA N N 15 120.583 0.050 . 1 . . . . 8 ALA N . 7106 1 87 . 1 1 9 9 VAL H H 1 8.120 0.010 . 1 . . . . 9 VAL H . 7106 1 88 . 1 1 9 9 VAL HA H 1 3.571 0.010 . 1 . . . . 9 VAL HA . 7106 1 89 . 1 1 9 9 VAL HB H 1 1.950 0.010 . 1 . . . . 9 VAL HB . 7106 1 90 . 1 1 9 9 VAL HG11 H 1 0.927 0.010 . 2 . . . . 9 VAL HG1 . 7106 1 91 . 1 1 9 9 VAL HG12 H 1 0.927 0.010 . 2 . . . . 9 VAL HG1 . 7106 1 92 . 1 1 9 9 VAL HG13 H 1 0.927 0.010 . 2 . . . . 9 VAL HG1 . 7106 1 93 . 1 1 9 9 VAL HG21 H 1 0.818 0.010 . 2 . . . . 9 VAL HG2 . 7106 1 94 . 1 1 9 9 VAL HG22 H 1 0.818 0.010 . 2 . . . . 9 VAL HG2 . 7106 1 95 . 1 1 9 9 VAL HG23 H 1 0.818 0.010 . 2 . . . . 9 VAL HG2 . 7106 1 96 . 1 1 9 9 VAL C C 13 178.177 0.100 . 1 . . . . 9 VAL C . 7106 1 97 . 1 1 9 9 VAL CA C 13 65.253 0.100 . 1 . . . . 9 VAL CA . 7106 1 98 . 1 1 9 9 VAL CB C 13 31.121 0.100 . 1 . . . . 9 VAL CB . 7106 1 99 . 1 1 9 9 VAL CG1 C 13 20.219 0.100 . 2 . . . . 9 VAL CG1 . 7106 1 100 . 1 1 9 9 VAL CG2 C 13 22.288 0.100 . 2 . . . . 9 VAL CG2 . 7106 1 101 . 1 1 9 9 VAL N N 15 120.541 0.050 . 1 . . . . 9 VAL N . 7106 1 102 . 1 1 10 10 LYS H H 1 6.909 0.010 . 1 . . . . 10 LYS H . 7106 1 103 . 1 1 10 10 LYS HA H 1 4.021 0.010 . 1 . . . . 10 LYS HA . 7106 1 104 . 1 1 10 10 LYS HB2 H 1 1.869 0.010 . 1 . . . . 10 LYS HB2 . 7106 1 105 . 1 1 10 10 LYS HB3 H 1 1.869 0.010 . 1 . . . . 10 LYS HB3 . 7106 1 106 . 1 1 10 10 LYS HG2 H 1 1.442 0.010 . 1 . . . . 10 LYS HG2 . 7106 1 107 . 1 1 10 10 LYS HG3 H 1 1.442 0.010 . 1 . . . . 10 LYS HG3 . 7106 1 108 . 1 1 10 10 LYS HD2 H 1 1.693 0.010 . 1 . . . . 10 LYS HD2 . 7106 1 109 . 1 1 10 10 LYS HD3 H 1 1.693 0.010 . 1 . . . . 10 LYS HD3 . 7106 1 110 . 1 1 10 10 LYS HE2 H 1 2.935 0.010 . 1 . . . . 10 LYS HE2 . 7106 1 111 . 1 1 10 10 LYS HE3 H 1 2.935 0.010 . 1 . . . . 10 LYS HE3 . 7106 1 112 . 1 1 10 10 LYS C C 13 178.252 0.100 . 1 . . . . 10 LYS C . 7106 1 113 . 1 1 10 10 LYS CA C 13 57.974 0.100 . 1 . . . . 10 LYS CA . 7106 1 114 . 1 1 10 10 LYS CB C 13 31.171 0.100 . 1 . . . . 10 LYS CB . 7106 1 115 . 1 1 10 10 LYS CG C 13 24.776 0.100 . 1 . . . . 10 LYS CG . 7106 1 116 . 1 1 10 10 LYS CD C 13 28.681 0.100 . 1 . . . . 10 LYS CD . 7106 1 117 . 1 1 10 10 LYS CE C 13 41.624 0.100 . 1 . . . . 10 LYS CE . 7106 1 118 . 1 1 10 10 LYS N N 15 119.604 0.050 . 1 . . . . 10 LYS N . 7106 1 119 . 1 1 11 11 TRP H H 1 7.355 0.010 . 1 . . . . 11 TRP H . 7106 1 120 . 1 1 11 11 TRP HA H 1 4.495 0.010 . 1 . . . . 11 TRP HA . 7106 1 121 . 1 1 11 11 TRP HB2 H 1 3.576 0.010 . 2 . . . . 11 TRP HB2 . 7106 1 122 . 1 1 11 11 TRP HB3 H 1 3.413 0.010 . 2 . . . . 11 TRP HB3 . 7106 1 123 . 1 1 11 11 TRP HD1 H 1 6.667 0.010 . 1 . . . . 11 TRP HD1 . 7106 1 124 . 1 1 11 11 TRP HE1 H 1 8.946 0.010 . 1 . . . . 11 TRP HE1 . 7106 1 125 . 1 1 11 11 TRP HE3 H 1 7.696 0.010 . 1 . . . . 11 TRP HE3 . 7106 1 126 . 1 1 11 11 TRP HZ2 H 1 6.505 0.010 . 1 . . . . 11 TRP HZ2 . 7106 1 127 . 1 1 11 11 TRP HZ3 H 1 7.091 0.010 . 1 . . . . 11 TRP HZ3 . 7106 1 128 . 1 1 11 11 TRP HH2 H 1 6.825 0.010 . 1 . . . . 11 TRP HH2 . 7106 1 129 . 1 1 11 11 TRP C C 13 177.147 0.100 . 1 . . . . 11 TRP C . 7106 1 130 . 1 1 11 11 TRP CA C 13 55.744 0.100 . 1 . . . . 11 TRP CA . 7106 1 131 . 1 1 11 11 TRP CB C 13 28.777 0.100 . 1 . . . . 11 TRP CB . 7106 1 132 . 1 1 11 11 TRP CD1 C 13 125.000 0.100 . 1 . . . . 11 TRP CD1 . 7106 1 133 . 1 1 11 11 TRP CE3 C 13 119.645 0.100 . 1 . . . . 11 TRP CE3 . 7106 1 134 . 1 1 11 11 TRP CZ2 C 13 113.625 0.100 . 1 . . . . 11 TRP CZ2 . 7106 1 135 . 1 1 11 11 TRP CZ3 C 13 120.251 0.100 . 1 . . . . 11 TRP CZ3 . 7106 1 136 . 1 1 11 11 TRP CH2 C 13 123.443 0.100 . 1 . . . . 11 TRP CH2 . 7106 1 137 . 1 1 11 11 TRP N N 15 116.910 0.050 . 1 . . . . 11 TRP N . 7106 1 138 . 1 1 11 11 TRP NE1 N 15 127.500 0.050 . 1 . . . . 11 TRP NE1 . 7106 1 139 . 1 1 12 12 GLY H H 1 7.724 0.010 . 1 . . . . 12 GLY H . 7106 1 140 . 1 1 12 12 GLY HA2 H 1 4.203 0.010 . 2 . . . . 12 GLY HA2 . 7106 1 141 . 1 1 12 12 GLY HA3 H 1 3.815 0.010 . 2 . . . . 12 GLY HA3 . 7106 1 142 . 1 1 12 12 GLY C C 13 174.066 0.100 . 1 . . . . 12 GLY C . 7106 1 143 . 1 1 12 12 GLY CA C 13 44.742 0.100 . 1 . . . . 12 GLY CA . 7106 1 144 . 1 1 12 12 GLY N N 15 102.548 0.050 . 1 . . . . 12 GLY N . 7106 1 145 . 1 1 13 13 GLU H H 1 7.861 0.010 . 1 . . . . 13 GLU H . 7106 1 146 . 1 1 13 13 GLU HA H 1 4.140 0.010 . 1 . . . . 13 GLU HA . 7106 1 147 . 1 1 13 13 GLU HB2 H 1 2.070 0.010 . 2 . . . . 13 GLU HB2 . 7106 1 148 . 1 1 13 13 GLU HB3 H 1 2.140 0.010 . 2 . . . . 13 GLU HB3 . 7106 1 149 . 1 1 13 13 GLU HG2 H 1 2.395 0.010 . 2 . . . . 13 GLU HG2 . 7106 1 150 . 1 1 13 13 GLU HG3 H 1 2.302 0.010 . 2 . . . . 13 GLU HG3 . 7106 1 151 . 1 1 13 13 GLU C C 13 177.044 0.100 . 1 . . . . 13 GLU C . 7106 1 152 . 1 1 13 13 GLU CA C 13 57.761 0.100 . 1 . . . . 13 GLU CA . 7106 1 153 . 1 1 13 13 GLU CB C 13 29.924 0.100 . 1 . . . . 13 GLU CB . 7106 1 154 . 1 1 13 13 GLU CG C 13 36.192 0.100 . 1 . . . . 13 GLU CG . 7106 1 155 . 1 1 13 13 GLU N N 15 120.240 0.050 . 1 . . . . 13 GLU N . 7106 1 156 . 1 1 14 14 SER H H 1 6.953 0.010 . 1 . . . . 14 SER H . 7106 1 157 . 1 1 14 14 SER HA H 1 4.450 0.010 . 1 . . . . 14 SER HA . 7106 1 158 . 1 1 14 14 SER HB2 H 1 4.061 0.010 . 1 . . . . 14 SER HB2 . 7106 1 159 . 1 1 14 14 SER HB3 H 1 4.061 0.010 . 1 . . . . 14 SER HB3 . 7106 1 160 . 1 1 14 14 SER C C 13 174.217 0.100 . 1 . . . . 14 SER C . 7106 1 161 . 1 1 14 14 SER CA C 13 57.373 0.100 . 1 . . . . 14 SER CA . 7106 1 162 . 1 1 14 14 SER CB C 13 63.526 0.100 . 1 . . . . 14 SER CB . 7106 1 163 . 1 1 14 14 SER N N 15 109.192 0.050 . 1 . . . . 14 SER N . 7106 1 164 . 1 1 15 15 PHE H H 1 8.998 0.010 . 1 . . . . 15 PHE H . 7106 1 165 . 1 1 15 15 PHE HA H 1 3.597 0.010 . 1 . . . . 15 PHE HA . 7106 1 166 . 1 1 15 15 PHE HB2 H 1 2.455 0.010 . 2 . . . . 15 PHE HB2 . 7106 1 167 . 1 1 15 15 PHE HB3 H 1 2.110 0.010 . 2 . . . . 15 PHE HB3 . 7106 1 168 . 1 1 15 15 PHE HD1 H 1 5.935 0.010 . 1 . . . . 15 PHE HD . 7106 1 169 . 1 1 15 15 PHE HD2 H 1 5.935 0.010 . 1 . . . . 15 PHE HD . 7106 1 170 . 1 1 15 15 PHE HE1 H 1 5.849 0.010 . 1 . . . . 15 PHE HE . 7106 1 171 . 1 1 15 15 PHE HE2 H 1 5.849 0.010 . 1 . . . . 15 PHE HE . 7106 1 172 . 1 1 15 15 PHE HZ H 1 6.576 0.010 . 1 . . . . 15 PHE HZ . 7106 1 173 . 1 1 15 15 PHE C C 13 176.209 0.100 . 1 . . . . 15 PHE C . 7106 1 174 . 1 1 15 15 PHE CA C 13 57.126 0.100 . 1 . . . . 15 PHE CA . 7106 1 175 . 1 1 15 15 PHE CB C 13 38.312 0.100 . 1 . . . . 15 PHE CB . 7106 1 176 . 1 1 15 15 PHE CD1 C 13 130.185 0.100 . 1 . . . . 15 PHE CD . 7106 1 177 . 1 1 15 15 PHE CD2 C 13 130.185 0.100 . 1 . . . . 15 PHE CD . 7106 1 178 . 1 1 15 15 PHE CE1 C 13 129.073 0.100 . 1 . . . . 15 PHE CE . 7106 1 179 . 1 1 15 15 PHE CE2 C 13 129.073 0.100 . 1 . . . . 15 PHE CE . 7106 1 180 . 1 1 15 15 PHE CZ C 13 127.896 0.100 . 1 . . . . 15 PHE CZ . 7106 1 181 . 1 1 15 15 PHE N N 15 123.962 0.050 . 1 . . . . 15 PHE N . 7106 1 182 . 1 1 16 16 ASP H H 1 8.126 0.010 . 1 . . . . 16 ASP H . 7106 1 183 . 1 1 16 16 ASP HA H 1 3.852 0.010 . 1 . . . . 16 ASP HA . 7106 1 184 . 1 1 16 16 ASP HB2 H 1 2.577 0.010 . 2 . . . . 16 ASP HB2 . 7106 1 185 . 1 1 16 16 ASP HB3 H 1 2.395 0.010 . 2 . . . . 16 ASP HB3 . 7106 1 186 . 1 1 16 16 ASP C C 13 178.580 0.100 . 1 . . . . 16 ASP C . 7106 1 187 . 1 1 16 16 ASP CA C 13 55.979 0.100 . 1 . . . . 16 ASP CA . 7106 1 188 . 1 1 16 16 ASP CB C 13 39.293 0.100 . 1 . . . . 16 ASP CB . 7106 1 189 . 1 1 16 16 ASP N N 15 113.916 0.050 . 1 . . . . 16 ASP N . 7106 1 190 . 1 1 17 17 LYS H H 1 7.395 0.010 . 1 . . . . 17 LYS H . 7106 1 191 . 1 1 17 17 LYS HA H 1 3.914 0.010 . 1 . . . . 17 LYS HA . 7106 1 192 . 1 1 17 17 LYS HB2 H 1 2.169 0.010 . 2 . . . . 17 LYS HB2 . 7106 1 193 . 1 1 17 17 LYS HB3 H 1 1.835 0.010 . 2 . . . . 17 LYS HB3 . 7106 1 194 . 1 1 17 17 LYS HG2 H 1 1.468 0.010 . 1 . . . . 17 LYS HG2 . 7106 1 195 . 1 1 17 17 LYS HG3 H 1 1.468 0.010 . 1 . . . . 17 LYS HG3 . 7106 1 196 . 1 1 17 17 LYS HD2 H 1 1.700 0.010 . 1 . . . . 17 LYS HD2 . 7106 1 197 . 1 1 17 17 LYS HD3 H 1 1.700 0.010 . 1 . . . . 17 LYS HD3 . 7106 1 198 . 1 1 17 17 LYS HE2 H 1 2.959 0.010 . 1 . . . . 17 LYS HE2 . 7106 1 199 . 1 1 17 17 LYS HE3 H 1 2.959 0.010 . 1 . . . . 17 LYS HE3 . 7106 1 200 . 1 1 17 17 LYS C C 13 178.501 0.100 . 1 . . . . 17 LYS C . 7106 1 201 . 1 1 17 17 LYS CA C 13 57.946 0.100 . 1 . . . . 17 LYS CA . 7106 1 202 . 1 1 17 17 LYS CB C 13 31.585 0.100 . 1 . . . . 17 LYS CB . 7106 1 203 . 1 1 17 17 LYS CG C 13 25.497 0.100 . 1 . . . . 17 LYS CG . 7106 1 204 . 1 1 17 17 LYS CD C 13 28.600 0.100 . 1 . . . . 17 LYS CD . 7106 1 205 . 1 1 17 17 LYS CE C 13 41.869 0.100 . 1 . . . . 17 LYS CE . 7106 1 206 . 1 1 17 17 LYS N N 15 119.438 0.050 . 1 . . . . 17 LYS N . 7106 1 207 . 1 1 18 18 LEU H H 1 6.976 0.010 . 1 . . . . 18 LEU H . 7106 1 208 . 1 1 18 18 LEU HA H 1 3.587 0.010 . 1 . . . . 18 LEU HA . 7106 1 209 . 1 1 18 18 LEU HB2 H 1 1.645 0.010 . 2 . . . . 18 LEU HB2 . 7106 1 210 . 1 1 18 18 LEU HB3 H 1 1.852 0.010 . 2 . . . . 18 LEU HB3 . 7106 1 211 . 1 1 18 18 LEU HG H 1 0.600 0.010 . 1 . . . . 18 LEU HG . 7106 1 212 . 1 1 18 18 LEU HD11 H 1 0.132 0.010 . 2 . . . . 18 LEU HD1 . 7106 1 213 . 1 1 18 18 LEU HD12 H 1 0.132 0.010 . 2 . . . . 18 LEU HD1 . 7106 1 214 . 1 1 18 18 LEU HD13 H 1 0.132 0.010 . 2 . . . . 18 LEU HD1 . 7106 1 215 . 1 1 18 18 LEU HD21 H 1 0.383 0.010 . 2 . . . . 18 LEU HD2 . 7106 1 216 . 1 1 18 18 LEU HD22 H 1 0.383 0.010 . 2 . . . . 18 LEU HD2 . 7106 1 217 . 1 1 18 18 LEU HD23 H 1 0.383 0.010 . 2 . . . . 18 LEU HD2 . 7106 1 218 . 1 1 18 18 LEU C C 13 180.218 0.100 . 1 . . . . 18 LEU C . 7106 1 219 . 1 1 18 18 LEU CA C 13 57.739 0.100 . 1 . . . . 18 LEU CA . 7106 1 220 . 1 1 18 18 LEU CB C 13 40.716 0.100 . 1 . . . . 18 LEU CB . 7106 1 221 . 1 1 18 18 LEU CG C 13 26.497 0.100 . 1 . . . . 18 LEU CG . 7106 1 222 . 1 1 18 18 LEU CD1 C 13 25.467 0.100 . 2 . . . . 18 LEU CD1 . 7106 1 223 . 1 1 18 18 LEU CD2 C 13 24.860 0.100 . 2 . . . . 18 LEU CD2 . 7106 1 224 . 1 1 18 18 LEU N N 15 120.801 0.050 . 1 . . . . 18 LEU N . 7106 1 225 . 1 1 19 19 LEU H H 1 6.937 0.010 . 1 . . . . 19 LEU H . 7106 1 226 . 1 1 19 19 LEU HA H 1 3.268 0.010 . 1 . . . . 19 LEU HA . 7106 1 227 . 1 1 19 19 LEU HB2 H 1 0.974 0.010 . 2 . . . . 19 LEU HB2 . 7106 1 228 . 1 1 19 19 LEU HB3 H 1 0.806 0.010 . 2 . . . . 19 LEU HB3 . 7106 1 229 . 1 1 19 19 LEU HG H 1 0.206 0.010 . 1 . . . . 19 LEU HG . 7106 1 230 . 1 1 19 19 LEU HD11 H 1 -0.423 0.010 . 2 . . . . 19 LEU HD1 . 7106 1 231 . 1 1 19 19 LEU HD12 H 1 -0.423 0.010 . 2 . . . . 19 LEU HD1 . 7106 1 232 . 1 1 19 19 LEU HD13 H 1 -0.423 0.010 . 2 . . . . 19 LEU HD1 . 7106 1 233 . 1 1 19 19 LEU HD21 H 1 -0.984 0.010 . 2 . . . . 19 LEU HD2 . 7106 1 234 . 1 1 19 19 LEU HD22 H 1 -0.984 0.010 . 2 . . . . 19 LEU HD2 . 7106 1 235 . 1 1 19 19 LEU HD23 H 1 -0.984 0.010 . 2 . . . . 19 LEU HD2 . 7106 1 236 . 1 1 19 19 LEU C C 13 177.454 0.100 . 1 . . . . 19 LEU C . 7106 1 237 . 1 1 19 19 LEU CA C 13 55.438 0.100 . 1 . . . . 19 LEU CA . 7106 1 238 . 1 1 19 19 LEU CB C 13 40.474 0.100 . 1 . . . . 19 LEU CB . 7106 1 239 . 1 1 19 19 LEU CG C 13 24.686 0.100 . 1 . . . . 19 LEU CG . 7106 1 240 . 1 1 19 19 LEU CD1 C 13 23.277 0.100 . 2 . . . . 19 LEU CD1 . 7106 1 241 . 1 1 19 19 LEU CD2 C 13 20.936 0.100 . 2 . . . . 19 LEU CD2 . 7106 1 242 . 1 1 19 19 LEU N N 15 111.307 0.050 . 1 . . . . 19 LEU N . 7106 1 243 . 1 1 20 20 SER H H 1 7.159 0.010 . 1 . . . . 20 SER H . 7106 1 244 . 1 1 20 20 SER HA H 1 4.161 0.010 . 1 . . . . 20 SER HA . 7106 1 245 . 1 1 20 20 SER HB2 H 1 3.876 0.010 . 1 . . . . 20 SER HB2 . 7106 1 246 . 1 1 20 20 SER HB3 H 1 3.900 0.010 . 1 . . . . 20 SER HB3 . 7106 1 247 . 1 1 20 20 SER C C 13 172.945 0.100 . 1 . . . . 20 SER C . 7106 1 248 . 1 1 20 20 SER CA C 13 58.267 0.100 . 1 . . . . 20 SER CA . 7106 1 249 . 1 1 20 20 SER CB C 13 63.282 0.100 . 1 . . . . 20 SER CB . 7106 1 250 . 1 1 20 20 SER N N 15 108.585 0.050 . 1 . . . . 20 SER N . 7106 1 251 . 1 1 21 21 HIS H H 1 7.346 0.010 . 1 . . . . 21 HIS H . 7106 1 252 . 1 1 21 21 HIS HA H 1 4.644 0.010 . 1 . . . . 21 HIS HA . 7106 1 253 . 1 1 21 21 HIS HB2 H 1 3.140 0.010 . 2 . . . . 21 HIS HB2 . 7106 1 254 . 1 1 21 21 HIS HB3 H 1 2.986 0.010 . 2 . . . . 21 HIS HB3 . 7106 1 255 . 1 1 21 21 HIS HD2 H 1 7.477 0.010 . 1 . . . . 21 HIS HD2 . 7106 1 256 . 1 1 21 21 HIS HE1 H 1 8.486 0.010 . 1 . . . . 21 HIS HE1 . 7106 1 257 . 1 1 21 21 HIS C C 13 175.591 0.100 . 1 . . . . 21 HIS C . 7106 1 258 . 1 1 21 21 HIS CA C 13 55.294 0.100 . 1 . . . . 21 HIS CA . 7106 1 259 . 1 1 21 21 HIS CB C 13 32.996 0.100 . 1 . . . . 21 HIS CB . 7106 1 260 . 1 1 21 21 HIS CD2 C 13 118.658 0.100 . 1 . . . . 21 HIS CD2 . 7106 1 261 . 1 1 21 21 HIS CE1 C 13 138.922 0.100 . 1 . . . . 21 HIS CE1 . 7106 1 262 . 1 1 21 21 HIS N N 15 124.093 0.050 . 1 . . . . 21 HIS N . 7106 1 263 . 1 1 22 22 ARG H H 1 8.911 0.010 . 1 . . . . 22 ARG H . 7106 1 264 . 1 1 22 22 ARG HA H 1 3.928 0.010 . 1 . . . . 22 ARG HA . 7106 1 265 . 1 1 22 22 ARG HB2 H 1 1.833 0.010 . 2 . . . . 22 ARG HB2 . 7106 1 266 . 1 1 22 22 ARG HB3 H 1 1.692 0.010 . 2 . . . . 22 ARG HB3 . 7106 1 267 . 1 1 22 22 ARG HD2 H 1 3.146 0.010 . 1 . . . . 22 ARG HD2 . 7106 1 268 . 1 1 22 22 ARG HD3 H 1 3.146 0.010 . 1 . . . . 22 ARG HD3 . 7106 1 269 . 1 1 22 22 ARG C C 13 178.753 0.100 . 1 . . . . 22 ARG C . 7106 1 270 . 1 1 22 22 ARG CA C 13 59.633 0.100 . 1 . . . . 22 ARG CA . 7106 1 271 . 1 1 22 22 ARG CB C 13 29.409 0.100 . 1 . . . . 22 ARG CB . 7106 1 272 . 1 1 22 22 ARG CD C 13 42.784 0.100 . 1 . . . . 22 ARG CD . 7106 1 273 . 1 1 22 22 ARG N N 15 128.421 0.050 . 1 . . . . 22 ARG N . 7106 1 274 . 1 1 23 23 ASP H H 1 9.710 0.010 . 1 . . . . 23 ASP H . 7106 1 275 . 1 1 23 23 ASP HA H 1 4.670 0.010 . 1 . . . . 23 ASP HA . 7106 1 276 . 1 1 23 23 ASP HB2 H 1 2.911 0.010 . 1 . . . . 23 ASP HB2 . 7106 1 277 . 1 1 23 23 ASP HB3 H 1 2.911 0.010 . 1 . . . . 23 ASP HB3 . 7106 1 278 . 1 1 23 23 ASP C C 13 178.534 0.100 . 1 . . . . 23 ASP C . 7106 1 279 . 1 1 23 23 ASP CA C 13 56.716 0.100 . 1 . . . . 23 ASP CA . 7106 1 280 . 1 1 23 23 ASP CB C 13 40.535 0.100 . 1 . . . . 23 ASP CB . 7106 1 281 . 1 1 23 23 ASP N N 15 119.287 0.050 . 1 . . . . 23 ASP N . 7106 1 282 . 1 1 24 24 GLY H H 1 7.798 0.010 . 1 . . . . 24 GLY H . 7106 1 283 . 1 1 24 24 GLY HA2 H 1 2.568 0.010 . 2 . . . . 24 GLY HA2 . 7106 1 284 . 1 1 24 24 GLY HA3 H 1 2.011 0.010 . 2 . . . . 24 GLY HA3 . 7106 1 285 . 1 1 24 24 GLY C C 13 174.517 0.100 . 1 . . . . 24 GLY C . 7106 1 286 . 1 1 24 24 GLY CA C 13 45.302 0.100 . 1 . . . . 24 GLY CA . 7106 1 287 . 1 1 24 24 GLY N N 15 115.132 0.050 . 1 . . . . 24 GLY N . 7106 1 288 . 1 1 25 25 LEU H H 1 8.403 0.010 . 1 . . . . 25 LEU H . 7106 1 289 . 1 1 25 25 LEU HA H 1 3.684 0.010 . 1 . . . . 25 LEU HA . 7106 1 290 . 1 1 25 25 LEU HB2 H 1 1.653 0.010 . 1 . . . . 25 LEU HB2 . 7106 1 291 . 1 1 25 25 LEU HB3 H 1 1.653 0.010 . 1 . . . . 25 LEU HB3 . 7106 1 292 . 1 1 25 25 LEU HD11 H 1 1.497 0.010 . 2 . . . . 25 LEU HD1 . 7106 1 293 . 1 1 25 25 LEU HD12 H 1 1.497 0.010 . 2 . . . . 25 LEU HD1 . 7106 1 294 . 1 1 25 25 LEU HD13 H 1 1.497 0.010 . 2 . . . . 25 LEU HD1 . 7106 1 295 . 1 1 25 25 LEU HD21 H 1 0.904 0.010 . 2 . . . . 25 LEU HD2 . 7106 1 296 . 1 1 25 25 LEU HD22 H 1 0.904 0.010 . 2 . . . . 25 LEU HD2 . 7106 1 297 . 1 1 25 25 LEU HD23 H 1 0.904 0.010 . 2 . . . . 25 LEU HD2 . 7106 1 298 . 1 1 25 25 LEU C C 13 180.588 0.100 . 1 . . . . 25 LEU C . 7106 1 299 . 1 1 25 25 LEU CA C 13 57.587 0.100 . 1 . . . . 25 LEU CA . 7106 1 300 . 1 1 25 25 LEU CB C 13 41.252 0.100 . 1 . . . . 25 LEU CB . 7106 1 301 . 1 1 25 25 LEU CG C 13 32.905 0.100 . 1 . . . . 25 LEU CG . 7106 1 302 . 1 1 25 25 LEU CD1 C 13 25.067 0.100 . 2 . . . . 25 LEU CD1 . 7106 1 303 . 1 1 25 25 LEU CD2 C 13 26.729 0.100 . 2 . . . . 25 LEU CD2 . 7106 1 304 . 1 1 25 25 LEU N N 15 122.948 0.050 . 1 . . . . 25 LEU N . 7106 1 305 . 1 1 26 26 GLU H H 1 7.754 0.010 . 1 . . . . 26 GLU H . 7106 1 306 . 1 1 26 26 GLU HA H 1 3.955 0.010 . 1 . . . . 26 GLU HA . 7106 1 307 . 1 1 26 26 GLU HB2 H 1 2.152 0.010 . 1 . . . . 26 GLU HB2 . 7106 1 308 . 1 1 26 26 GLU HB3 H 1 2.152 0.010 . 1 . . . . 26 GLU HB3 . 7106 1 309 . 1 1 26 26 GLU HG2 H 1 2.295 0.010 . 2 . . . . 26 GLU HG2 . 7106 1 310 . 1 1 26 26 GLU HG3 H 1 2.497 0.010 . 2 . . . . 26 GLU HG3 . 7106 1 311 . 1 1 26 26 GLU C C 13 178.385 0.100 . 1 . . . . 26 GLU C . 7106 1 312 . 1 1 26 26 GLU CA C 13 59.626 0.100 . 1 . . . . 26 GLU CA . 7106 1 313 . 1 1 26 26 GLU CB C 13 28.722 0.100 . 1 . . . . 26 GLU CB . 7106 1 314 . 1 1 26 26 GLU CG C 13 35.709 0.100 . 1 . . . . 26 GLU CG . 7106 1 315 . 1 1 26 26 GLU N N 15 120.733 0.050 . 1 . . . . 26 GLU N . 7106 1 316 . 1 1 27 27 ALA H H 1 8.012 0.010 . 1 . . . . 27 ALA H . 7106 1 317 . 1 1 27 27 ALA HA H 1 4.168 0.010 . 1 . . . . 27 ALA HA . 7106 1 318 . 1 1 27 27 ALA HB1 H 1 1.702 0.010 . 1 . . . . 27 ALA HB . 7106 1 319 . 1 1 27 27 ALA HB2 H 1 1.702 0.010 . 1 . . . . 27 ALA HB . 7106 1 320 . 1 1 27 27 ALA HB3 H 1 1.702 0.010 . 1 . . . . 27 ALA HB . 7106 1 321 . 1 1 27 27 ALA C C 13 179.052 0.100 . 1 . . . . 27 ALA C . 7106 1 322 . 1 1 27 27 ALA CA C 13 54.918 0.100 . 1 . . . . 27 ALA CA . 7106 1 323 . 1 1 27 27 ALA CB C 13 17.596 0.100 . 1 . . . . 27 ALA CB . 7106 1 324 . 1 1 27 27 ALA N N 15 123.308 0.050 . 1 . . . . 27 ALA N . 7106 1 325 . 1 1 28 28 PHE H H 1 8.735 0.010 . 1 . . . . 28 PHE H . 7106 1 326 . 1 1 28 28 PHE HA H 1 3.838 0.010 . 1 . . . . 28 PHE HA . 7106 1 327 . 1 1 28 28 PHE HB2 H 1 2.568 0.010 . 2 . . . . 28 PHE HB2 . 7106 1 328 . 1 1 28 28 PHE HB3 H 1 2.517 0.010 . 2 . . . . 28 PHE HB3 . 7106 1 329 . 1 1 28 28 PHE HD1 H 1 6.431 0.010 . 1 . . . . 28 PHE HD . 7106 1 330 . 1 1 28 28 PHE HD2 H 1 6.431 0.010 . 1 . . . . 28 PHE HD . 7106 1 331 . 1 1 28 28 PHE HE1 H 1 7.126 0.010 . 1 . . . . 28 PHE HE . 7106 1 332 . 1 1 28 28 PHE HE2 H 1 7.126 0.010 . 1 . . . . 28 PHE HE . 7106 1 333 . 1 1 28 28 PHE HZ H 1 7.332 0.010 . 1 . . . . 28 PHE HZ . 7106 1 334 . 1 1 28 28 PHE C C 13 177.201 0.100 . 1 . . . . 28 PHE C . 7106 1 335 . 1 1 28 28 PHE CA C 13 59.649 0.100 . 1 . . . . 28 PHE CA . 7106 1 336 . 1 1 28 28 PHE CB C 13 39.227 0.100 . 1 . . . . 28 PHE CB . 7106 1 337 . 1 1 28 28 PHE CD1 C 13 130.635 0.100 . 1 . . . . 28 PHE CD . 7106 1 338 . 1 1 28 28 PHE CD2 C 13 130.635 0.100 . 1 . . . . 28 PHE CD . 7106 1 339 . 1 1 28 28 PHE CE1 C 13 128.893 0.100 . 1 . . . . 28 PHE CE . 7106 1 340 . 1 1 28 28 PHE CE2 C 13 128.893 0.100 . 1 . . . . 28 PHE CE . 7106 1 341 . 1 1 28 28 PHE CZ C 13 131.093 0.100 . 1 . . . . 28 PHE CZ . 7106 1 342 . 1 1 28 28 PHE N N 15 118.821 0.050 . 1 . . . . 28 PHE N . 7106 1 343 . 1 1 29 29 THR H H 1 8.263 0.010 . 1 . . . . 29 THR H . 7106 1 344 . 1 1 29 29 THR HA H 1 4.340 0.010 . 1 . . . . 29 THR HA . 7106 1 345 . 1 1 29 29 THR HG21 H 1 1.107 0.010 . 1 . . . . 29 THR HG2 . 7106 1 346 . 1 1 29 29 THR HG22 H 1 1.107 0.010 . 1 . . . . 29 THR HG2 . 7106 1 347 . 1 1 29 29 THR HG23 H 1 1.107 0.010 . 1 . . . . 29 THR HG2 . 7106 1 348 . 1 1 29 29 THR C C 13 175.461 0.100 . 1 . . . . 29 THR C . 7106 1 349 . 1 1 29 29 THR CB C 13 67.499 0.100 . 1 . . . . 29 THR CB . 7106 1 350 . 1 1 29 29 THR CG2 C 13 19.872 0.100 . 1 . . . . 29 THR CG2 . 7106 1 351 . 1 1 29 29 THR N N 15 116.067 0.050 . 1 . . . . 29 THR N . 7106 1 352 . 1 1 30 30 ARG H H 1 8.027 0.010 . 1 . . . . 30 ARG H . 7106 1 353 . 1 1 30 30 ARG HA H 1 3.839 0.010 . 1 . . . . 30 ARG HA . 7106 1 354 . 1 1 30 30 ARG HB2 H 1 1.987 0.010 . 2 . . . . 30 ARG HB2 . 7106 1 355 . 1 1 30 30 ARG HB3 H 1 2.115 0.010 . 2 . . . . 30 ARG HB3 . 7106 1 356 . 1 1 30 30 ARG HG2 H 1 1.872 0.010 . 2 . . . . 30 ARG HG2 . 7106 1 357 . 1 1 30 30 ARG HG3 H 1 1.526 0.010 . 2 . . . . 30 ARG HG3 . 7106 1 358 . 1 1 30 30 ARG HD2 H 1 3.264 0.010 . 1 . . . . 30 ARG HD2 . 7106 1 359 . 1 1 30 30 ARG HD3 H 1 3.264 0.010 . 1 . . . . 30 ARG HD3 . 7106 1 360 . 1 1 30 30 ARG HE H 1 7.755 0.010 . 1 . . . . 30 ARG HE . 7106 1 361 . 1 1 30 30 ARG C C 13 179.264 0.100 . 1 . . . . 30 ARG C . 7106 1 362 . 1 1 30 30 ARG CA C 13 59.741 0.100 . 1 . . . . 30 ARG CA . 7106 1 363 . 1 1 30 30 ARG CB C 13 29.564 0.100 . 1 . . . . 30 ARG CB . 7106 1 364 . 1 1 30 30 ARG CG C 13 27.558 0.100 . 1 . . . . 30 ARG CG . 7106 1 365 . 1 1 30 30 ARG CD C 13 43.315 0.100 . 1 . . . . 30 ARG CD . 7106 1 366 . 1 1 30 30 ARG N N 15 121.297 0.050 . 1 . . . . 30 ARG N . 7106 1 367 . 1 1 30 30 ARG NE N 15 84.506 0.050 . 1 . . . . 30 ARG NE . 7106 1 368 . 1 1 31 31 PHE H H 1 8.293 0.010 . 1 . . . . 31 PHE H . 7106 1 369 . 1 1 31 31 PHE HA H 1 4.184 0.010 . 1 . . . . 31 PHE HA . 7106 1 370 . 1 1 31 31 PHE HB2 H 1 3.417 0.010 . 1 . . . . 31 PHE HB2 . 7106 1 371 . 1 1 31 31 PHE HB3 H 1 3.683 0.010 . 2 . . . . 31 PHE HB3 . 7106 1 372 . 1 1 31 31 PHE HD1 H 1 7.342 0.010 . 1 . . . . 31 PHE HD . 7106 1 373 . 1 1 31 31 PHE HD2 H 1 7.342 0.010 . 1 . . . . 31 PHE HD . 7106 1 374 . 1 1 31 31 PHE HE1 H 1 7.150 0.010 . 1 . . . . 31 PHE HE . 7106 1 375 . 1 1 31 31 PHE HE2 H 1 7.150 0.010 . 1 . . . . 31 PHE HE . 7106 1 376 . 1 1 31 31 PHE C C 13 177.802 0.100 . 1 . . . . 31 PHE C . 7106 1 377 . 1 1 31 31 PHE CA C 13 60.955 0.100 . 1 . . . . 31 PHE CA . 7106 1 378 . 1 1 31 31 PHE CB C 13 39.142 0.100 . 1 . . . . 31 PHE CB . 7106 1 379 . 1 1 31 31 PHE CD1 C 13 131.425 0.100 . 1 . . . . 31 PHE CD . 7106 1 380 . 1 1 31 31 PHE CD2 C 13 131.425 0.100 . 1 . . . . 31 PHE CD . 7106 1 381 . 1 1 31 31 PHE CE1 C 13 131.393 0.100 . 1 . . . . 31 PHE CE . 7106 1 382 . 1 1 31 31 PHE CE2 C 13 131.393 0.100 . 1 . . . . 31 PHE CE . 7106 1 383 . 1 1 31 31 PHE N N 15 120.061 0.050 . 1 . . . . 31 PHE N . 7106 1 384 . 1 1 32 32 LEU H H 1 8.660 0.010 . 1 . . . . 32 LEU H . 7106 1 385 . 1 1 32 32 LEU HA H 1 3.469 0.010 . 1 . . . . 32 LEU HA . 7106 1 386 . 1 1 32 32 LEU HB2 H 1 1.590 0.010 . 2 . . . . 32 LEU HB2 . 7106 1 387 . 1 1 32 32 LEU HB3 H 1 0.864 0.010 . 2 . . . . 32 LEU HB3 . 7106 1 388 . 1 1 32 32 LEU HG H 1 0.986 0.010 . 1 . . . . 32 LEU HG . 7106 1 389 . 1 1 32 32 LEU HD11 H 1 0.488 0.010 . 2 . . . . 32 LEU HD1 . 7106 1 390 . 1 1 32 32 LEU HD12 H 1 0.488 0.010 . 2 . . . . 32 LEU HD1 . 7106 1 391 . 1 1 32 32 LEU HD13 H 1 0.488 0.010 . 2 . . . . 32 LEU HD1 . 7106 1 392 . 1 1 32 32 LEU HD21 H 1 0.479 0.010 . 2 . . . . 32 LEU HD2 . 7106 1 393 . 1 1 32 32 LEU HD22 H 1 0.479 0.010 . 2 . . . . 32 LEU HD2 . 7106 1 394 . 1 1 32 32 LEU HD23 H 1 0.479 0.010 . 2 . . . . 32 LEU HD2 . 7106 1 395 . 1 1 32 32 LEU C C 13 180.108 0.100 . 1 . . . . 32 LEU C . 7106 1 396 . 1 1 32 32 LEU CA C 13 57.241 0.100 . 1 . . . . 32 LEU CA . 7106 1 397 . 1 1 32 32 LEU CB C 13 39.552 0.100 . 1 . . . . 32 LEU CB . 7106 1 398 . 1 1 32 32 LEU CG C 13 25.243 0.100 . 1 . . . . 32 LEU CG . 7106 1 399 . 1 1 32 32 LEU CD1 C 13 25.659 0.100 . 2 . . . . 32 LEU CD1 . 7106 1 400 . 1 1 32 32 LEU CD2 C 13 26.227 0.100 . 2 . . . . 32 LEU CD2 . 7106 1 401 . 1 1 32 32 LEU N N 15 121.687 0.050 . 1 . . . . 32 LEU N . 7106 1 402 . 1 1 33 33 LYS H H 1 8.323 0.010 . 1 . . . . 33 LYS H . 7106 1 403 . 1 1 33 33 LYS HA H 1 4.142 0.010 . 1 . . . . 33 LYS HA . 7106 1 404 . 1 1 33 33 LYS HB2 H 1 1.786 0.010 . 1 . . . . 33 LYS HB2 . 7106 1 405 . 1 1 33 33 LYS HB3 H 1 1.786 0.010 . 1 . . . . 33 LYS HB3 . 7106 1 406 . 1 1 33 33 LYS HG2 H 1 1.196 0.010 . 1 . . . . 33 LYS HG2 . 7106 1 407 . 1 1 33 33 LYS HG3 H 1 1.196 0.010 . 1 . . . . 33 LYS HG3 . 7106 1 408 . 1 1 33 33 LYS HD2 H 1 1.562 0.010 . 1 . . . . 33 LYS HD2 . 7106 1 409 . 1 1 33 33 LYS HD3 H 1 1.562 0.010 . 1 . . . . 33 LYS HD3 . 7106 1 410 . 1 1 33 33 LYS HE2 H 1 2.803 0.010 . 1 . . . . 33 LYS HE2 . 7106 1 411 . 1 1 33 33 LYS HE3 H 1 2.803 0.010 . 1 . . . . 33 LYS HE3 . 7106 1 412 . 1 1 33 33 LYS C C 13 180.575 0.100 . 1 . . . . 33 LYS C . 7106 1 413 . 1 1 33 33 LYS CA C 13 59.113 0.100 . 1 . . . . 33 LYS CA . 7106 1 414 . 1 1 33 33 LYS CB C 13 31.585 0.100 . 1 . . . . 33 LYS CB . 7106 1 415 . 1 1 33 33 LYS CG C 13 25.285 0.100 . 1 . . . . 33 LYS CG . 7106 1 416 . 1 1 33 33 LYS CD C 13 28.918 0.100 . 1 . . . . 33 LYS CD . 7106 1 417 . 1 1 33 33 LYS CE C 13 41.565 0.100 . 1 . . . . 33 LYS CE . 7106 1 418 . 1 1 33 33 LYS N N 15 119.666 0.050 . 1 . . . . 33 LYS N . 7106 1 419 . 1 1 34 34 THR H H 1 7.473 0.010 . 1 . . . . 34 THR H . 7106 1 420 . 1 1 34 34 THR HA H 1 4.061 0.010 . 1 . . . . 34 THR HA . 7106 1 421 . 1 1 34 34 THR HB H 1 3.977 0.010 . 1 . . . . 34 THR HB . 7106 1 422 . 1 1 34 34 THR HG21 H 1 1.329 0.010 . 1 . . . . 34 THR HG2 . 7106 1 423 . 1 1 34 34 THR HG22 H 1 1.329 0.010 . 1 . . . . 34 THR HG2 . 7106 1 424 . 1 1 34 34 THR HG23 H 1 1.329 0.010 . 1 . . . . 34 THR HG2 . 7106 1 425 . 1 1 34 34 THR C C 13 174.014 0.100 . 1 . . . . 34 THR C . 7106 1 426 . 1 1 34 34 THR CA C 13 64.002 0.100 . 1 . . . . 34 THR CA . 7106 1 427 . 1 1 34 34 THR CB C 13 68.728 0.100 . 1 . . . . 34 THR CB . 7106 1 428 . 1 1 34 34 THR CG2 C 13 21.053 0.100 . 1 . . . . 34 THR CG2 . 7106 1 429 . 1 1 34 34 THR N N 15 111.829 0.050 . 1 . . . . 34 THR N . 7106 1 430 . 1 1 35 35 GLU H H 1 6.673 0.010 . 1 . . . . 35 GLU H . 7106 1 431 . 1 1 35 35 GLU HA H 1 4.220 0.010 . 1 . . . . 35 GLU HA . 7106 1 432 . 1 1 35 35 GLU HB2 H 1 1.935 0.010 . 2 . . . . 35 GLU HB2 . 7106 1 433 . 1 1 35 35 GLU HB3 H 1 1.975 0.010 . 2 . . . . 35 GLU HB3 . 7106 1 434 . 1 1 35 35 GLU HG2 H 1 1.614 0.010 . 1 . . . . 35 GLU HG2 . 7106 1 435 . 1 1 35 35 GLU HG3 H 1 1.614 0.010 . 1 . . . . 35 GLU HG3 . 7106 1 436 . 1 1 35 35 GLU C C 13 174.966 0.100 . 1 . . . . 35 GLU C . 7106 1 437 . 1 1 35 35 GLU CA C 13 54.407 0.100 . 1 . . . . 35 GLU CA . 7106 1 438 . 1 1 35 35 GLU CB C 13 28.899 0.100 . 1 . . . . 35 GLU CB . 7106 1 439 . 1 1 35 35 GLU CG C 13 35.251 0.100 . 1 . . . . 35 GLU CG . 7106 1 440 . 1 1 35 35 GLU N N 15 116.995 0.050 . 1 . . . . 35 GLU N . 7106 1 441 . 1 1 36 36 PHE H H 1 7.293 0.010 . 1 . . . . 36 PHE H . 7106 1 442 . 1 1 36 36 PHE HA H 1 4.450 0.010 . 1 . . . . 36 PHE HA . 7106 1 443 . 1 1 36 36 PHE HB2 H 1 3.301 0.010 . 2 . . . . 36 PHE HB2 . 7106 1 444 . 1 1 36 36 PHE HB3 H 1 3.192 0.010 . 2 . . . . 36 PHE HB3 . 7106 1 445 . 1 1 36 36 PHE HD1 H 1 7.174 0.010 . 1 . . . . 36 PHE HD . 7106 1 446 . 1 1 36 36 PHE HD2 H 1 7.174 0.010 . 1 . . . . 36 PHE HD . 7106 1 447 . 1 1 36 36 PHE HE1 H 1 7.296 0.010 . 1 . . . . 36 PHE HE . 7106 1 448 . 1 1 36 36 PHE HE2 H 1 7.296 0.010 . 1 . . . . 36 PHE HE . 7106 1 449 . 1 1 36 36 PHE C C 13 175.570 0.100 . 1 . . . . 36 PHE C . 7106 1 450 . 1 1 36 36 PHE CA C 13 57.982 0.100 . 1 . . . . 36 PHE CA . 7106 1 451 . 1 1 36 36 PHE CB C 13 35.234 0.100 . 1 . . . . 36 PHE CB . 7106 1 452 . 1 1 36 36 PHE N N 15 117.723 0.050 . 1 . . . . 36 PHE N . 7106 1 453 . 1 1 37 37 SER H H 1 7.928 0.010 . 1 . . . . 37 SER H . 7106 1 454 . 1 1 37 37 SER HA H 1 5.188 0.010 . 1 . . . . 37 SER HA . 7106 1 455 . 1 1 37 37 SER HB2 H 1 3.762 0.010 . 1 . . . . 37 SER HB2 . 7106 1 456 . 1 1 37 37 SER HB3 H 1 3.762 0.010 . 1 . . . . 37 SER HB3 . 7106 1 457 . 1 1 37 37 SER C C 13 175.577 0.100 . 1 . . . . 37 SER C . 7106 1 458 . 1 1 37 37 SER CA C 13 56.564 0.100 . 1 . . . . 37 SER CA . 7106 1 459 . 1 1 37 37 SER CB C 13 64.056 0.100 . 1 . . . . 37 SER CB . 7106 1 460 . 1 1 37 37 SER N N 15 111.567 0.050 . 1 . . . . 37 SER N . 7106 1 461 . 1 1 38 38 GLU H H 1 9.892 0.010 . 1 . . . . 38 GLU H . 7106 1 462 . 1 1 38 38 GLU HA H 1 4.003 0.010 . 1 . . . . 38 GLU HA . 7106 1 463 . 1 1 38 38 GLU HB2 H 1 1.934 0.010 . 2 . . . . 38 GLU HB2 . 7106 1 464 . 1 1 38 38 GLU HB3 H 1 1.742 0.010 . 2 . . . . 38 GLU HB3 . 7106 1 465 . 1 1 38 38 GLU HG2 H 1 2.161 0.010 . 1 . . . . 38 GLU HG2 . 7106 1 466 . 1 1 38 38 GLU HG3 H 1 2.161 0.010 . 1 . . . . 38 GLU HG3 . 7106 1 467 . 1 1 38 38 GLU C C 13 175.925 0.100 . 1 . . . . 38 GLU C . 7106 1 468 . 1 1 38 38 GLU CA C 13 58.040 0.100 . 1 . . . . 38 GLU CA . 7106 1 469 . 1 1 38 38 GLU CB C 13 27.176 0.100 . 1 . . . . 38 GLU CB . 7106 1 470 . 1 1 38 38 GLU CG C 13 34.952 0.100 . 1 . . . . 38 GLU CG . 7106 1 471 . 1 1 38 38 GLU N N 15 122.776 0.050 . 1 . . . . 38 GLU N . 7106 1 472 . 1 1 39 39 GLU H H 1 10.505 0.010 . 1 . . . . 39 GLU H . 7106 1 473 . 1 1 39 39 GLU HA H 1 4.284 0.010 . 1 . . . . 39 GLU HA . 7106 1 474 . 1 1 39 39 GLU C C 13 176.929 0.100 . 1 . . . . 39 GLU C . 7106 1 475 . 1 1 39 39 GLU CA C 13 59.315 0.100 . 1 . . . . 39 GLU CA . 7106 1 476 . 1 1 39 39 GLU CB C 13 26.689 0.100 . 1 . . . . 39 GLU CB . 7106 1 477 . 1 1 39 39 GLU CG C 13 34.081 0.100 . 1 . . . . 39 GLU CG . 7106 1 478 . 1 1 39 39 GLU N N 15 125.475 0.050 . 1 . . . . 39 GLU N . 7106 1 479 . 1 1 40 40 ASN H H 1 7.579 0.010 . 1 . . . . 40 ASN H . 7106 1 480 . 1 1 40 40 ASN HA H 1 4.582 0.010 . 1 . . . . 40 ASN HA . 7106 1 481 . 1 1 40 40 ASN HB2 H 1 2.795 0.010 . 2 . . . . 40 ASN HB2 . 7106 1 482 . 1 1 40 40 ASN HB3 H 1 2.679 0.010 . 2 . . . . 40 ASN HB3 . 7106 1 483 . 1 1 40 40 ASN C C 13 176.554 0.100 . 1 . . . . 40 ASN C . 7106 1 484 . 1 1 40 40 ASN CA C 13 56.060 0.100 . 1 . . . . 40 ASN CA . 7106 1 485 . 1 1 40 40 ASN CB C 13 38.532 0.100 . 1 . . . . 40 ASN CB . 7106 1 486 . 1 1 40 40 ASN N N 15 117.385 0.050 . 1 . . . . 40 ASN N . 7106 1 487 . 1 1 41 41 ILE H H 1 6.698 0.010 . 1 . . . . 41 ILE H . 7106 1 488 . 1 1 41 41 ILE HA H 1 4.603 0.010 . 1 . . . . 41 ILE HA . 7106 1 489 . 1 1 41 41 ILE HB H 1 1.755 0.010 . 1 . . . . 41 ILE HB . 7106 1 490 . 1 1 41 41 ILE HG12 H 1 0.990 0.010 . 2 . . . . 41 ILE HG12 . 7106 1 491 . 1 1 41 41 ILE HG13 H 1 1.395 0.010 . 2 . . . . 41 ILE HG13 . 7106 1 492 . 1 1 41 41 ILE HG21 H 1 1.187 0.010 . 1 . . . . 41 ILE HG2 . 7106 1 493 . 1 1 41 41 ILE HG22 H 1 1.187 0.010 . 1 . . . . 41 ILE HG2 . 7106 1 494 . 1 1 41 41 ILE HG23 H 1 1.187 0.010 . 1 . . . . 41 ILE HG2 . 7106 1 495 . 1 1 41 41 ILE HD11 H 1 0.888 0.010 . 1 . . . . 41 ILE HD1 . 7106 1 496 . 1 1 41 41 ILE HD12 H 1 0.888 0.010 . 1 . . . . 41 ILE HD1 . 7106 1 497 . 1 1 41 41 ILE HD13 H 1 0.888 0.010 . 1 . . . . 41 ILE HD1 . 7106 1 498 . 1 1 41 41 ILE C C 13 176.386 0.100 . 1 . . . . 41 ILE C . 7106 1 499 . 1 1 41 41 ILE CA C 13 58.220 0.100 . 1 . . . . 41 ILE CA . 7106 1 500 . 1 1 41 41 ILE CB C 13 37.975 0.100 . 1 . . . . 41 ILE CB . 7106 1 501 . 1 1 41 41 ILE CG2 C 13 20.070 0.100 . 1 . . . . 41 ILE CG2 . 7106 1 502 . 1 1 41 41 ILE CD1 C 13 14.195 0.100 . 1 . . . . 41 ILE CD1 . 7106 1 503 . 1 1 41 41 ILE N N 15 117.450 0.050 . 1 . . . . 41 ILE N . 7106 1 504 . 1 1 42 42 GLU H H 1 8.334 0.010 . 1 . . . . 42 GLU H . 7106 1 505 . 1 1 42 42 GLU HA H 1 3.930 0.010 . 1 . . . . 42 GLU HA . 7106 1 506 . 1 1 42 42 GLU HB2 H 1 2.288 0.010 . 1 . . . . 42 GLU HB2 . 7106 1 507 . 1 1 42 42 GLU HB3 H 1 2.288 0.010 . 1 . . . . 42 GLU HB3 . 7106 1 508 . 1 1 42 42 GLU HG2 H 1 2.156 0.010 . 2 . . . . 42 GLU HG2 . 7106 1 509 . 1 1 42 42 GLU HG3 H 1 2.506 0.010 . 2 . . . . 42 GLU HG3 . 7106 1 510 . 1 1 42 42 GLU C C 13 179.552 0.100 . 1 . . . . 42 GLU C . 7106 1 511 . 1 1 42 42 GLU CA C 13 59.512 0.100 . 1 . . . . 42 GLU CA . 7106 1 512 . 1 1 42 42 GLU CB C 13 28.659 0.100 . 1 . . . . 42 GLU CB . 7106 1 513 . 1 1 42 42 GLU CG C 13 36.327 0.100 . 1 . . . . 42 GLU CG . 7106 1 514 . 1 1 42 42 GLU N N 15 124.540 0.050 . 1 . . . . 42 GLU N . 7106 1 515 . 1 1 43 43 PHE H H 1 8.436 0.010 . 1 . . . . 43 PHE H . 7106 1 516 . 1 1 43 43 PHE HA H 1 2.875 0.010 . 1 . . . . 43 PHE HA . 7106 1 517 . 1 1 43 43 PHE HB2 H 1 2.603 0.010 . 2 . . . . 43 PHE HB2 . 7106 1 518 . 1 1 43 43 PHE HB3 H 1 2.870 0.010 . 2 . . . . 43 PHE HB3 . 7106 1 519 . 1 1 43 43 PHE HD1 H 1 6.580 0.010 . 1 . . . . 43 PHE HD . 7106 1 520 . 1 1 43 43 PHE HD2 H 1 6.580 0.010 . 1 . . . . 43 PHE HD . 7106 1 521 . 1 1 43 43 PHE HE1 H 1 6.682 0.010 . 1 . . . . 43 PHE HE . 7106 1 522 . 1 1 43 43 PHE HE2 H 1 6.682 0.010 . 1 . . . . 43 PHE HE . 7106 1 523 . 1 1 43 43 PHE HZ H 1 6.798 0.010 . 1 . . . . 43 PHE HZ . 7106 1 524 . 1 1 43 43 PHE C C 13 176.045 0.100 . 1 . . . . 43 PHE C . 7106 1 525 . 1 1 43 43 PHE CA C 13 59.335 0.100 . 1 . . . . 43 PHE CA . 7106 1 526 . 1 1 43 43 PHE CB C 13 38.634 0.100 . 1 . . . . 43 PHE CB . 7106 1 527 . 1 1 43 43 PHE CD1 C 13 130.662 0.100 . 1 . . . . 43 PHE CD . 7106 1 528 . 1 1 43 43 PHE CD2 C 13 130.662 0.100 . 1 . . . . 43 PHE CD . 7106 1 529 . 1 1 43 43 PHE CE1 C 13 129.618 0.100 . 1 . . . . 43 PHE CE . 7106 1 530 . 1 1 43 43 PHE CE2 C 13 129.618 0.100 . 1 . . . . 43 PHE CE . 7106 1 531 . 1 1 43 43 PHE CZ C 13 128.415 0.100 . 1 . . . . 43 PHE CZ . 7106 1 532 . 1 1 43 43 PHE N N 15 121.458 0.050 . 1 . . . . 43 PHE N . 7106 1 533 . 1 1 44 44 TRP H H 1 7.959 0.010 . 1 . . . . 44 TRP H . 7106 1 534 . 1 1 44 44 TRP HA H 1 3.680 0.010 . 1 . . . . 44 TRP HA . 7106 1 535 . 1 1 44 44 TRP HB2 H 1 3.249 0.010 . 1 . . . . 44 TRP HB2 . 7106 1 536 . 1 1 44 44 TRP HB3 H 1 3.249 0.010 . 1 . . . . 44 TRP HB3 . 7106 1 537 . 1 1 44 44 TRP HD1 H 1 7.052 0.010 . 1 . . . . 44 TRP HD1 . 7106 1 538 . 1 1 44 44 TRP HE1 H 1 10.594 0.010 . 1 . . . . 44 TRP HE1 . 7106 1 539 . 1 1 44 44 TRP HE3 H 1 7.273 0.010 . 1 . . . . 44 TRP HE3 . 7106 1 540 . 1 1 44 44 TRP HZ2 H 1 7.123 0.010 . 1 . . . . 44 TRP HZ2 . 7106 1 541 . 1 1 44 44 TRP HZ3 H 1 6.907 0.010 . 1 . . . . 44 TRP HZ3 . 7106 1 542 . 1 1 44 44 TRP HH2 H 1 6.903 0.010 . 1 . . . . 44 TRP HH2 . 7106 1 543 . 1 1 44 44 TRP C C 13 177.501 0.100 . 1 . . . . 44 TRP C . 7106 1 544 . 1 1 44 44 TRP CA C 13 64.397 0.100 . 1 . . . . 44 TRP CA . 7106 1 545 . 1 1 44 44 TRP CB C 13 29.187 0.100 . 1 . . . . 44 TRP CB . 7106 1 546 . 1 1 44 44 TRP CD1 C 13 122.994 0.100 . 1 . . . . 44 TRP CD1 . 7106 1 547 . 1 1 44 44 TRP CE3 C 13 119.225 0.100 . 1 . . . . 44 TRP CE3 . 7106 1 548 . 1 1 44 44 TRP CZ2 C 13 114.189 0.100 . 1 . . . . 44 TRP CZ2 . 7106 1 549 . 1 1 44 44 TRP CZ3 C 13 121.944 0.100 . 1 . . . . 44 TRP CZ3 . 7106 1 550 . 1 1 44 44 TRP CH2 C 13 125.182 0.100 . 1 . . . . 44 TRP CH2 . 7106 1 551 . 1 1 44 44 TRP N N 15 122.065 0.050 . 1 . . . . 44 TRP N . 7106 1 552 . 1 1 44 44 TRP NE1 N 15 130.099 0.050 . 1 . . . . 44 TRP NE1 . 7106 1 553 . 1 1 45 45 ILE H H 1 8.826 0.010 . 1 . . . . 45 ILE H . 7106 1 554 . 1 1 45 45 ILE HA H 1 3.255 0.010 . 1 . . . . 45 ILE HA . 7106 1 555 . 1 1 45 45 ILE HB H 1 1.874 0.010 . 1 . . . . 45 ILE HB . 7106 1 556 . 1 1 45 45 ILE HG12 H 1 1.309 0.010 . 1 . . . . 45 ILE HG12 . 7106 1 557 . 1 1 45 45 ILE HG13 H 1 1.309 0.010 . 1 . . . . 45 ILE HG13 . 7106 1 558 . 1 1 45 45 ILE HG21 H 1 0.885 0.010 . 1 . . . . 45 ILE HG2 . 7106 1 559 . 1 1 45 45 ILE HG22 H 1 0.885 0.010 . 1 . . . . 45 ILE HG2 . 7106 1 560 . 1 1 45 45 ILE HG23 H 1 0.885 0.010 . 1 . . . . 45 ILE HG2 . 7106 1 561 . 1 1 45 45 ILE HD11 H 1 0.909 0.010 . 1 . . . . 45 ILE HD1 . 7106 1 562 . 1 1 45 45 ILE HD12 H 1 0.909 0.010 . 1 . . . . 45 ILE HD1 . 7106 1 563 . 1 1 45 45 ILE HD13 H 1 0.909 0.010 . 1 . . . . 45 ILE HD1 . 7106 1 564 . 1 1 45 45 ILE C C 13 178.391 0.100 . 1 . . . . 45 ILE C . 7106 1 565 . 1 1 45 45 ILE CA C 13 64.505 0.100 . 1 . . . . 45 ILE CA . 7106 1 566 . 1 1 45 45 ILE CB C 13 37.993 0.100 . 1 . . . . 45 ILE CB . 7106 1 567 . 1 1 45 45 ILE CG2 C 13 16.270 0.100 . 1 . . . . 45 ILE CG2 . 7106 1 568 . 1 1 45 45 ILE CD1 C 13 13.867 0.100 . 1 . . . . 45 ILE CD1 . 7106 1 569 . 1 1 45 45 ILE N N 15 117.843 0.050 . 1 . . . . 45 ILE N . 7106 1 570 . 1 1 46 46 ALA H H 1 7.953 0.010 . 1 . . . . 46 ALA H . 7106 1 571 . 1 1 46 46 ALA HA H 1 4.087 0.010 . 1 . . . . 46 ALA HA . 7106 1 572 . 1 1 46 46 ALA HB1 H 1 1.340 0.010 . 1 . . . . 46 ALA HB . 7106 1 573 . 1 1 46 46 ALA HB2 H 1 1.340 0.010 . 1 . . . . 46 ALA HB . 7106 1 574 . 1 1 46 46 ALA HB3 H 1 1.340 0.010 . 1 . . . . 46 ALA HB . 7106 1 575 . 1 1 46 46 ALA C C 13 181.458 0.100 . 1 . . . . 46 ALA C . 7106 1 576 . 1 1 46 46 ALA CA C 13 54.456 0.100 . 1 . . . . 46 ALA CA . 7106 1 577 . 1 1 46 46 ALA CB C 13 17.436 0.100 . 1 . . . . 46 ALA CB . 7106 1 578 . 1 1 46 46 ALA N N 15 123.399 0.050 . 1 . . . . 46 ALA N . 7106 1 579 . 1 1 47 47 CYS H H 1 7.835 0.010 . 1 . . . . 47 CYS H . 7106 1 580 . 1 1 47 47 CYS HA H 1 3.577 0.010 . 1 . . . . 47 CYS HA . 7106 1 581 . 1 1 47 47 CYS HB2 H 1 1.932 0.010 . 1 . . . . 47 CYS HB2 . 7106 1 582 . 1 1 47 47 CYS HB3 H 1 1.921 0.010 . 1 . . . . 47 CYS HB3 . 7106 1 583 . 1 1 47 47 CYS C C 13 176.286 0.100 . 1 . . . . 47 CYS C . 7106 1 584 . 1 1 47 47 CYS CA C 13 63.780 0.100 . 1 . . . . 47 CYS CA . 7106 1 585 . 1 1 47 47 CYS CB C 13 25.309 0.100 . 1 . . . . 47 CYS CB . 7106 1 586 . 1 1 47 47 CYS N N 15 118.869 0.050 . 1 . . . . 47 CYS N . 7106 1 587 . 1 1 48 48 GLU H H 1 7.339 0.010 . 1 . . . . 48 GLU H . 7106 1 588 . 1 1 48 48 GLU HA H 1 3.488 0.010 . 1 . . . . 48 GLU HA . 7106 1 589 . 1 1 48 48 GLU HB2 H 1 1.502 0.010 . 2 . . . . 48 GLU HB2 . 7106 1 590 . 1 1 48 48 GLU HB3 H 1 1.327 0.010 . 2 . . . . 48 GLU HB3 . 7106 1 591 . 1 1 48 48 GLU C C 13 178.900 0.100 . 1 . . . . 48 GLU C . 7106 1 592 . 1 1 48 48 GLU CA C 13 58.089 0.100 . 1 . . . . 48 GLU CA . 7106 1 593 . 1 1 48 48 GLU CB C 13 28.615 0.100 . 1 . . . . 48 GLU CB . 7106 1 594 . 1 1 48 48 GLU CG C 13 34.616 0.100 . 1 . . . . 48 GLU CG . 7106 1 595 . 1 1 48 48 GLU N N 15 119.866 0.050 . 1 . . . . 48 GLU N . 7106 1 596 . 1 1 49 49 ASP H H 1 7.745 0.010 . 1 . . . . 49 ASP H . 7106 1 597 . 1 1 49 49 ASP HA H 1 4.126 0.010 . 1 . . . . 49 ASP HA . 7106 1 598 . 1 1 49 49 ASP HB2 H 1 2.500 0.010 . 2 . . . . 49 ASP HB2 . 7106 1 599 . 1 1 49 49 ASP HB3 H 1 2.581 0.010 . 2 . . . . 49 ASP HB3 . 7106 1 600 . 1 1 49 49 ASP C C 13 178.546 0.100 . 1 . . . . 49 ASP C . 7106 1 601 . 1 1 49 49 ASP CA C 13 56.606 0.100 . 1 . . . . 49 ASP CA . 7106 1 602 . 1 1 49 49 ASP CB C 13 41.308 0.100 . 1 . . . . 49 ASP CB . 7106 1 603 . 1 1 49 49 ASP N N 15 118.772 0.050 . 1 . . . . 49 ASP N . 7106 1 604 . 1 1 50 50 PHE H H 1 8.318 0.010 . 1 . . . . 50 PHE H . 7106 1 605 . 1 1 50 50 PHE HA H 1 3.743 0.010 . 1 . . . . 50 PHE HA . 7106 1 606 . 1 1 50 50 PHE HB2 H 1 3.179 0.010 . 1 . . . . 50 PHE HB2 . 7106 1 607 . 1 1 50 50 PHE HB3 H 1 3.179 0.010 . 1 . . . . 50 PHE HB3 . 7106 1 608 . 1 1 50 50 PHE HD1 H 1 7.084 0.010 . 1 . . . . 50 PHE HD . 7106 1 609 . 1 1 50 50 PHE HD2 H 1 7.084 0.010 . 1 . . . . 50 PHE HD . 7106 1 610 . 1 1 50 50 PHE HE1 H 1 7.764 0.010 . 1 . . . . 50 PHE HE . 7106 1 611 . 1 1 50 50 PHE HE2 H 1 7.764 0.010 . 1 . . . . 50 PHE HE . 7106 1 612 . 1 1 50 50 PHE HZ H 1 7.145 0.010 . 1 . . . . 50 PHE HZ . 7106 1 613 . 1 1 50 50 PHE C C 13 177.746 0.100 . 1 . . . . 50 PHE C . 7106 1 614 . 1 1 50 50 PHE CA C 13 60.569 0.100 . 1 . . . . 50 PHE CA . 7106 1 615 . 1 1 50 50 PHE CB C 13 38.559 0.100 . 1 . . . . 50 PHE CB . 7106 1 616 . 1 1 50 50 PHE CD1 C 13 130.808 0.100 . 1 . . . . 50 PHE CD . 7106 1 617 . 1 1 50 50 PHE CD2 C 13 130.808 0.100 . 1 . . . . 50 PHE CD . 7106 1 618 . 1 1 50 50 PHE CE1 C 13 131.915 0.100 . 1 . . . . 50 PHE CE . 7106 1 619 . 1 1 50 50 PHE CE2 C 13 131.915 0.100 . 1 . . . . 50 PHE CE . 7106 1 620 . 1 1 50 50 PHE CZ C 13 130.132 0.100 . 1 . . . . 50 PHE CZ . 7106 1 621 . 1 1 50 50 PHE N N 15 122.435 0.050 . 1 . . . . 50 PHE N . 7106 1 622 . 1 1 51 51 LYS H H 1 7.472 0.010 . 1 . . . . 51 LYS H . 7106 1 623 . 1 1 51 51 LYS HA H 1 3.643 0.010 . 1 . . . . 51 LYS HA . 7106 1 624 . 1 1 51 51 LYS HB2 H 1 1.706 0.010 . 1 . . . . 51 LYS HB2 . 7106 1 625 . 1 1 51 51 LYS HB3 H 1 1.706 0.010 . 1 . . . . 51 LYS HB3 . 7106 1 626 . 1 1 51 51 LYS HD2 H 1 1.454 0.010 . 1 . . . . 51 LYS HD2 . 7106 1 627 . 1 1 51 51 LYS HD3 H 1 1.438 0.010 . 1 . . . . 51 LYS HD3 . 7106 1 628 . 1 1 51 51 LYS HE2 H 1 2.751 0.010 . 1 . . . . 51 LYS HE2 . 7106 1 629 . 1 1 51 51 LYS HE3 H 1 2.751 0.010 . 1 . . . . 51 LYS HE3 . 7106 1 630 . 1 1 51 51 LYS C C 13 175.982 0.100 . 1 . . . . 51 LYS C . 7106 1 631 . 1 1 51 51 LYS CA C 13 58.380 0.100 . 1 . . . . 51 LYS CA . 7106 1 632 . 1 1 51 51 LYS CB C 13 31.710 0.100 . 1 . . . . 51 LYS CB . 7106 1 633 . 1 1 51 51 LYS CD C 13 29.108 0.100 . 1 . . . . 51 LYS CD . 7106 1 634 . 1 1 51 51 LYS CE C 13 41.735 0.100 . 1 . . . . 51 LYS CE . 7106 1 635 . 1 1 51 51 LYS N N 15 116.481 0.050 . 1 . . . . 51 LYS N . 7106 1 636 . 1 1 52 52 LYS H H 1 7.077 0.010 . 1 . . . . 52 LYS H . 7106 1 637 . 1 1 52 52 LYS HA H 1 4.221 0.010 . 1 . . . . 52 LYS HA . 7106 1 638 . 1 1 52 52 LYS HB2 H 1 1.665 0.010 . 2 . . . . 52 LYS HB2 . 7106 1 639 . 1 1 52 52 LYS HB3 H 1 1.958 0.010 . 2 . . . . 52 LYS HB3 . 7106 1 640 . 1 1 52 52 LYS HG2 H 1 1.278 0.010 . 2 . . . . 52 LYS HG2 . 7106 1 641 . 1 1 52 52 LYS HG3 H 1 1.428 0.010 . 2 . . . . 52 LYS HG3 . 7106 1 642 . 1 1 52 52 LYS HD2 H 1 1.553 0.010 . 1 . . . . 52 LYS HD2 . 7106 1 643 . 1 1 52 52 LYS HD3 H 1 1.553 0.010 . 1 . . . . 52 LYS HD3 . 7106 1 644 . 1 1 52 52 LYS HE2 H 1 2.843 0.010 . 1 . . . . 52 LYS HE2 . 7106 1 645 . 1 1 52 52 LYS HE3 H 1 2.843 0.010 . 1 . . . . 52 LYS HE3 . 7106 1 646 . 1 1 52 52 LYS C C 13 176.238 0.100 . 1 . . . . 52 LYS C . 7106 1 647 . 1 1 52 52 LYS CA C 13 55.054 0.100 . 1 . . . . 52 LYS CA . 7106 1 648 . 1 1 52 52 LYS CB C 13 31.465 0.100 . 1 . . . . 52 LYS CB . 7106 1 649 . 1 1 52 52 LYS CG C 13 24.341 0.100 . 1 . . . . 52 LYS CG . 7106 1 650 . 1 1 52 52 LYS CD C 13 28.681 0.100 . 1 . . . . 52 LYS CD . 7106 1 651 . 1 1 52 52 LYS CE C 13 41.636 0.100 . 1 . . . . 52 LYS CE . 7106 1 652 . 1 1 52 52 LYS N N 15 117.321 0.050 . 1 . . . . 52 LYS N . 7106 1 653 . 1 1 53 53 SER H H 1 7.332 0.010 . 1 . . . . 53 SER H . 7106 1 654 . 1 1 53 53 SER HA H 1 4.082 0.010 . 1 . . . . 53 SER HA . 7106 1 655 . 1 1 53 53 SER HB2 H 1 3.383 0.010 . 1 . . . . 53 SER HB2 . 7106 1 656 . 1 1 53 53 SER HB3 H 1 3.383 0.010 . 1 . . . . 53 SER HB3 . 7106 1 657 . 1 1 53 53 SER C C 13 172.815 0.100 . 1 . . . . 53 SER C . 7106 1 658 . 1 1 53 53 SER CA C 13 60.132 0.100 . 1 . . . . 53 SER CA . 7106 1 659 . 1 1 53 53 SER CB C 13 64.244 0.100 . 1 . . . . 53 SER CB . 7106 1 660 . 1 1 53 53 SER N N 15 116.291 0.050 . 1 . . . . 53 SER N . 7106 1 661 . 1 1 54 54 LYS H H 1 8.493 0.010 . 1 . . . . 54 LYS H . 7106 1 662 . 1 1 54 54 LYS HA H 1 2.346 0.010 . 1 . . . . 54 LYS HA . 7106 1 663 . 1 1 54 54 LYS HB2 H 1 1.679 0.010 . 1 . . . . 54 LYS HB2 . 7106 1 664 . 1 1 54 54 LYS HB3 H 1 1.679 0.010 . 1 . . . . 54 LYS HB3 . 7106 1 665 . 1 1 54 54 LYS HG2 H 1 1.399 0.010 . 2 . . . . 54 LYS HG2 . 7106 1 666 . 1 1 54 54 LYS HG3 H 1 4.177 0.010 . 2 . . . . 54 LYS HG3 . 7106 1 667 . 1 1 54 54 LYS HD2 H 1 1.593 0.010 . 1 . . . . 54 LYS HD2 . 7106 1 668 . 1 1 54 54 LYS HD3 H 1 1.593 0.010 . 1 . . . . 54 LYS HD3 . 7106 1 669 . 1 1 54 54 LYS HE2 H 1 2.916 0.010 . 1 . . . . 54 LYS HE2 . 7106 1 670 . 1 1 54 54 LYS HE3 H 1 2.916 0.010 . 1 . . . . 54 LYS HE3 . 7106 1 671 . 1 1 54 54 LYS C C 13 175.915 0.100 . 1 . . . . 54 LYS C . 7106 1 672 . 1 1 54 54 LYS CA C 13 54.805 0.100 . 1 . . . . 54 LYS CA . 7106 1 673 . 1 1 54 54 LYS CB C 13 33.658 0.100 . 1 . . . . 54 LYS CB . 7106 1 674 . 1 1 54 54 LYS CG C 13 23.847 0.100 . 1 . . . . 54 LYS CG . 7106 1 675 . 1 1 54 54 LYS CD C 13 28.405 0.100 . 1 . . . . 54 LYS CD . 7106 1 676 . 1 1 54 54 LYS CE C 13 41.480 0.100 . 1 . . . . 54 LYS CE . 7106 1 677 . 1 1 54 54 LYS N N 15 122.735 0.050 . 1 . . . . 54 LYS N . 7106 1 678 . 1 1 55 55 GLY H H 1 8.133 0.010 . 1 . . . . 55 GLY H . 7106 1 679 . 1 1 55 55 GLY HA2 H 1 4.026 0.010 . 2 . . . . 55 GLY HA2 . 7106 1 680 . 1 1 55 55 GLY HA3 H 1 4.246 0.010 . 2 . . . . 55 GLY HA3 . 7106 1 681 . 1 1 55 55 GLY C C 13 171.432 0.100 . 1 . . . . 55 GLY C . 7106 1 682 . 1 1 55 55 GLY CA C 13 43.454 0.100 . 1 . . . . 55 GLY CA . 7106 1 683 . 1 1 55 55 GLY N N 15 111.588 0.050 . 1 . . . . 55 GLY N . 7106 1 684 . 1 1 56 56 PRO HA H 1 4.215 0.010 . 1 . . . . 56 PRO HA . 7106 1 685 . 1 1 56 56 PRO HB2 H 1 1.993 0.010 . 2 . . . . 56 PRO HB2 . 7106 1 686 . 1 1 56 56 PRO HB3 H 1 2.288 0.010 . 2 . . . . 56 PRO HB3 . 7106 1 687 . 1 1 56 56 PRO HG2 H 1 2.052 0.010 . 1 . . . . 56 PRO HG2 . 7106 1 688 . 1 1 56 56 PRO HG3 H 1 2.052 0.010 . 1 . . . . 56 PRO HG3 . 7106 1 689 . 1 1 56 56 PRO HD2 H 1 3.770 0.010 . 2 . . . . 56 PRO HD2 . 7106 1 690 . 1 1 56 56 PRO HD3 H 1 3.638 0.010 . 2 . . . . 56 PRO HD3 . 7106 1 691 . 1 1 56 56 PRO C C 13 179.076 0.100 . 1 . . . . 56 PRO C . 7106 1 692 . 1 1 56 56 PRO CA C 13 64.570 0.100 . 1 . . . . 56 PRO CA . 7106 1 693 . 1 1 56 56 PRO CB C 13 31.378 0.100 . 1 . . . . 56 PRO CB . 7106 1 694 . 1 1 56 56 PRO CG C 13 26.961 0.100 . 1 . . . . 56 PRO CG . 7106 1 695 . 1 1 56 56 PRO CD C 13 49.559 0.100 . 1 . . . . 56 PRO CD . 7106 1 696 . 1 1 57 57 GLN H H 1 8.357 0.010 . 1 . . . . 57 GLN H . 7106 1 697 . 1 1 57 57 GLN HA H 1 4.148 0.010 . 1 . . . . 57 GLN HA . 7106 1 698 . 1 1 57 57 GLN HB2 H 1 2.070 0.010 . 1 . . . . 57 GLN HB2 . 7106 1 699 . 1 1 57 57 GLN HB3 H 1 2.070 0.010 . 1 . . . . 57 GLN HB3 . 7106 1 700 . 1 1 57 57 GLN HG2 H 1 2.402 0.010 . 1 . . . . 57 GLN HG2 . 7106 1 701 . 1 1 57 57 GLN HG3 H 1 2.402 0.010 . 1 . . . . 57 GLN HG3 . 7106 1 702 . 1 1 57 57 GLN C C 13 178.347 0.100 . 1 . . . . 57 GLN C . 7106 1 703 . 1 1 57 57 GLN CA C 13 59.182 0.100 . 1 . . . . 57 GLN CA . 7106 1 704 . 1 1 57 57 GLN CB C 13 27.217 0.100 . 1 . . . . 57 GLN CB . 7106 1 705 . 1 1 57 57 GLN CG C 13 33.612 0.100 . 1 . . . . 57 GLN CG . 7106 1 706 . 1 1 57 57 GLN N N 15 118.897 0.050 . 1 . . . . 57 GLN N . 7106 1 707 . 1 1 58 58 GLN H H 1 8.309 0.010 . 1 . . . . 58 GLN H . 7106 1 708 . 1 1 58 58 GLN HA H 1 4.064 0.010 . 1 . . . . 58 GLN HA . 7106 1 709 . 1 1 58 58 GLN HB2 H 1 2.013 0.010 . 1 . . . . 58 GLN HB2 . 7106 1 710 . 1 1 58 58 GLN HB3 H 1 2.013 0.010 . 1 . . . . 58 GLN HB3 . 7106 1 711 . 1 1 58 58 GLN HG2 H 1 2.318 0.010 . 2 . . . . 58 GLN HG2 . 7106 1 712 . 1 1 58 58 GLN HG3 H 1 2.523 0.010 . 2 . . . . 58 GLN HG3 . 7106 1 713 . 1 1 58 58 GLN C C 13 177.841 0.100 . 1 . . . . 58 GLN C . 7106 1 714 . 1 1 58 58 GLN CA C 13 58.768 0.100 . 1 . . . . 58 GLN CA . 7106 1 715 . 1 1 58 58 GLN CB C 13 28.674 0.100 . 1 . . . . 58 GLN CB . 7106 1 716 . 1 1 58 58 GLN CG C 13 34.201 0.100 . 1 . . . . 58 GLN CG . 7106 1 717 . 1 1 58 58 GLN N N 15 119.743 0.050 . 1 . . . . 58 GLN N . 7106 1 718 . 1 1 59 59 ILE H H 1 7.891 0.010 . 1 . . . . 59 ILE H . 7106 1 719 . 1 1 59 59 ILE HA H 1 3.581 0.010 . 1 . . . . 59 ILE HA . 7106 1 720 . 1 1 59 59 ILE HB H 1 1.707 0.010 . 1 . . . . 59 ILE HB . 7106 1 721 . 1 1 59 59 ILE HG12 H 1 1.556 0.010 . 1 . . . . 59 ILE HG12 . 7106 1 722 . 1 1 59 59 ILE HG13 H 1 1.556 0.010 . 1 . . . . 59 ILE HG13 . 7106 1 723 . 1 1 59 59 ILE HG21 H 1 0.695 0.010 . 1 . . . . 59 ILE HG2 . 7106 1 724 . 1 1 59 59 ILE HG22 H 1 0.695 0.010 . 1 . . . . 59 ILE HG2 . 7106 1 725 . 1 1 59 59 ILE HG23 H 1 0.695 0.010 . 1 . . . . 59 ILE HG2 . 7106 1 726 . 1 1 59 59 ILE HD11 H 1 0.536 0.010 . 1 . . . . 59 ILE HD1 . 7106 1 727 . 1 1 59 59 ILE HD12 H 1 0.536 0.010 . 1 . . . . 59 ILE HD1 . 7106 1 728 . 1 1 59 59 ILE HD13 H 1 0.536 0.010 . 1 . . . . 59 ILE HD1 . 7106 1 729 . 1 1 59 59 ILE C C 13 177.655 0.100 . 1 . . . . 59 ILE C . 7106 1 730 . 1 1 59 59 ILE CA C 13 65.197 0.100 . 1 . . . . 59 ILE CA . 7106 1 731 . 1 1 59 59 ILE CB C 13 37.406 0.100 . 1 . . . . 59 ILE CB . 7106 1 732 . 1 1 59 59 ILE CG1 C 13 29.859 0.100 . 1 . . . . 59 ILE CG1 . 7106 1 733 . 1 1 59 59 ILE CG2 C 13 16.077 0.100 . 1 . . . . 59 ILE CG2 . 7106 1 734 . 1 1 59 59 ILE CD1 C 13 12.762 0.100 . 1 . . . . 59 ILE CD1 . 7106 1 735 . 1 1 59 59 ILE N N 15 118.123 0.050 . 1 . . . . 59 ILE N . 7106 1 736 . 1 1 60 60 HIS H H 1 8.141 0.010 . 1 . . . . 60 HIS H . 7106 1 737 . 1 1 60 60 HIS HA H 1 4.141 0.010 . 1 . . . . 60 HIS HA . 7106 1 738 . 1 1 60 60 HIS HB2 H 1 3.240 0.010 . 1 . . . . 60 HIS HB2 . 7106 1 739 . 1 1 60 60 HIS HB3 H 1 3.240 0.010 . 1 . . . . 60 HIS HB3 . 7106 1 740 . 1 1 60 60 HIS HD2 H 1 7.069 0.010 . 1 . . . . 60 HIS HD2 . 7106 1 741 . 1 1 60 60 HIS HE1 H 1 8.037 0.010 . 1 . . . . 60 HIS HE1 . 7106 1 742 . 1 1 60 60 HIS C C 13 177.620 0.100 . 1 . . . . 60 HIS C . 7106 1 743 . 1 1 60 60 HIS CA C 13 59.897 0.100 . 1 . . . . 60 HIS CA . 7106 1 744 . 1 1 60 60 HIS CB C 13 28.982 0.100 . 1 . . . . 60 HIS CB . 7106 1 745 . 1 1 60 60 HIS CD2 C 13 119.769 0.100 . 1 . . . . 60 HIS CD2 . 7106 1 746 . 1 1 60 60 HIS CE1 C 13 136.949 0.100 . 1 . . . . 60 HIS CE1 . 7106 1 747 . 1 1 60 60 HIS N N 15 116.625 0.050 . 1 . . . . 60 HIS N . 7106 1 748 . 1 1 61 61 LEU H H 1 8.178 0.010 . 1 . . . . 61 LEU H . 7106 1 749 . 1 1 61 61 LEU HA H 1 4.026 0.010 . 1 . . . . 61 LEU HA . 7106 1 750 . 1 1 61 61 LEU HB2 H 1 1.881 0.010 . 2 . . . . 61 LEU HB2 . 7106 1 751 . 1 1 61 61 LEU HB3 H 1 1.625 0.010 . 2 . . . . 61 LEU HB3 . 7106 1 752 . 1 1 61 61 LEU HG H 1 1.812 0.010 . 1 . . . . 61 LEU HG . 7106 1 753 . 1 1 61 61 LEU HD11 H 1 0.887 0.010 . 1 . . . . 61 LEU HD1 . 7106 1 754 . 1 1 61 61 LEU HD12 H 1 0.887 0.010 . 1 . . . . 61 LEU HD1 . 7106 1 755 . 1 1 61 61 LEU HD13 H 1 0.887 0.010 . 1 . . . . 61 LEU HD1 . 7106 1 756 . 1 1 61 61 LEU HD21 H 1 0.887 0.010 . 1 . . . . 61 LEU HD2 . 7106 1 757 . 1 1 61 61 LEU HD22 H 1 0.887 0.010 . 1 . . . . 61 LEU HD2 . 7106 1 758 . 1 1 61 61 LEU HD23 H 1 0.887 0.010 . 1 . . . . 61 LEU HD2 . 7106 1 759 . 1 1 61 61 LEU C C 13 180.569 0.100 . 1 . . . . 61 LEU C . 7106 1 760 . 1 1 61 61 LEU CA C 13 57.951 0.100 . 1 . . . . 61 LEU CA . 7106 1 761 . 1 1 61 61 LEU CB C 13 41.871 0.100 . 1 . . . . 61 LEU CB . 7106 1 762 . 1 1 61 61 LEU CG C 13 26.562 0.100 . 1 . . . . 61 LEU CG . 7106 1 763 . 1 1 61 61 LEU CD1 C 13 23.536 0.100 . 2 . . . . 61 LEU CD1 . 7106 1 764 . 1 1 61 61 LEU CD2 C 13 24.854 0.100 . 2 . . . . 61 LEU CD2 . 7106 1 765 . 1 1 61 61 LEU N N 15 119.431 0.050 . 1 . . . . 61 LEU N . 7106 1 766 . 1 1 62 62 LYS H H 1 8.809 0.010 . 1 . . . . 62 LYS H . 7106 1 767 . 1 1 62 62 LYS HA H 1 4.170 0.010 . 1 . . . . 62 LYS HA . 7106 1 768 . 1 1 62 62 LYS HB2 H 1 2.244 0.010 . 2 . . . . 62 LYS HB2 . 7106 1 769 . 1 1 62 62 LYS HB3 H 1 1.941 0.010 . 2 . . . . 62 LYS HB3 . 7106 1 770 . 1 1 62 62 LYS HG2 H 1 1.617 0.010 . 1 . . . . 62 LYS HG2 . 7106 1 771 . 1 1 62 62 LYS HG3 H 1 1.617 0.010 . 1 . . . . 62 LYS HG3 . 7106 1 772 . 1 1 62 62 LYS HD2 H 1 1.744 0.010 . 1 . . . . 62 LYS HD2 . 7106 1 773 . 1 1 62 62 LYS HD3 H 1 1.744 0.010 . 1 . . . . 62 LYS HD3 . 7106 1 774 . 1 1 62 62 LYS HE2 H 1 2.886 0.010 . 1 . . . . 62 LYS HE2 . 7106 1 775 . 1 1 62 62 LYS HE3 H 1 2.886 0.010 . 1 . . . . 62 LYS HE3 . 7106 1 776 . 1 1 62 62 LYS C C 13 179.143 0.100 . 1 . . . . 62 LYS C . 7106 1 777 . 1 1 62 62 LYS CA C 13 59.269 0.100 . 1 . . . . 62 LYS CA . 7106 1 778 . 1 1 62 62 LYS CB C 13 33.138 0.100 . 1 . . . . 62 LYS CB . 7106 1 779 . 1 1 62 62 LYS CG C 13 26.903 0.100 . 1 . . . . 62 LYS CG . 7106 1 780 . 1 1 62 62 LYS CD C 13 29.113 0.100 . 1 . . . . 62 LYS CD . 7106 1 781 . 1 1 62 62 LYS CE C 13 41.814 0.100 . 1 . . . . 62 LYS CE . 7106 1 782 . 1 1 62 62 LYS N N 15 118.870 0.050 . 1 . . . . 62 LYS N . 7106 1 783 . 1 1 63 63 ALA H H 1 8.605 0.010 . 1 . . . . 63 ALA H . 7106 1 784 . 1 1 63 63 ALA HA H 1 3.912 0.010 . 1 . . . . 63 ALA HA . 7106 1 785 . 1 1 63 63 ALA HB1 H 1 1.576 0.010 . 1 . . . . 63 ALA HB . 7106 1 786 . 1 1 63 63 ALA HB2 H 1 1.576 0.010 . 1 . . . . 63 ALA HB . 7106 1 787 . 1 1 63 63 ALA HB3 H 1 1.576 0.010 . 1 . . . . 63 ALA HB . 7106 1 788 . 1 1 63 63 ALA C C 13 179.094 0.100 . 1 . . . . 63 ALA C . 7106 1 789 . 1 1 63 63 ALA CA C 13 54.719 0.100 . 1 . . . . 63 ALA CA . 7106 1 790 . 1 1 63 63 ALA CB C 13 17.521 0.100 . 1 . . . . 63 ALA CB . 7106 1 791 . 1 1 63 63 ALA N N 15 121.565 0.050 . 1 . . . . 63 ALA N . 7106 1 792 . 1 1 64 64 LYS H H 1 7.767 0.010 . 1 . . . . 64 LYS H . 7106 1 793 . 1 1 64 64 LYS HA H 1 3.904 0.010 . 1 . . . . 64 LYS HA . 7106 1 794 . 1 1 64 64 LYS HB2 H 1 1.879 0.010 . 1 . . . . 64 LYS HB2 . 7106 1 795 . 1 1 64 64 LYS HB3 H 1 1.879 0.010 . 1 . . . . 64 LYS HB3 . 7106 1 796 . 1 1 64 64 LYS HG2 H 1 1.381 0.010 . 1 . . . . 64 LYS HG2 . 7106 1 797 . 1 1 64 64 LYS HG3 H 1 1.381 0.010 . 1 . . . . 64 LYS HG3 . 7106 1 798 . 1 1 64 64 LYS HD2 H 1 1.633 0.010 . 1 . . . . 64 LYS HD2 . 7106 1 799 . 1 1 64 64 LYS HD3 H 1 1.633 0.010 . 1 . . . . 64 LYS HD3 . 7106 1 800 . 1 1 64 64 LYS HE2 H 1 2.959 0.010 . 1 . . . . 64 LYS HE2 . 7106 1 801 . 1 1 64 64 LYS HE3 H 1 2.959 0.010 . 1 . . . . 64 LYS HE3 . 7106 1 802 . 1 1 64 64 LYS C C 13 177.628 0.100 . 1 . . . . 64 LYS C . 7106 1 803 . 1 1 64 64 LYS CA C 13 59.236 0.100 . 1 . . . . 64 LYS CA . 7106 1 804 . 1 1 64 64 LYS CB C 13 31.836 0.100 . 1 . . . . 64 LYS CB . 7106 1 805 . 1 1 64 64 LYS CG C 13 24.154 0.100 . 1 . . . . 64 LYS CG . 7106 1 806 . 1 1 64 64 LYS CD C 13 29.056 0.100 . 1 . . . . 64 LYS CD . 7106 1 807 . 1 1 64 64 LYS CE C 13 41.219 0.100 . 1 . . . . 64 LYS CE . 7106 1 808 . 1 1 64 64 LYS N N 15 118.169 0.050 . 1 . . . . 64 LYS N . 7106 1 809 . 1 1 65 65 ALA H H 1 7.615 0.010 . 1 . . . . 65 ALA H . 7106 1 810 . 1 1 65 65 ALA HA H 1 4.169 0.010 . 1 . . . . 65 ALA HA . 7106 1 811 . 1 1 65 65 ALA HB1 H 1 1.492 0.010 . 1 . . . . 65 ALA HB . 7106 1 812 . 1 1 65 65 ALA HB2 H 1 1.492 0.010 . 1 . . . . 65 ALA HB . 7106 1 813 . 1 1 65 65 ALA HB3 H 1 1.492 0.010 . 1 . . . . 65 ALA HB . 7106 1 814 . 1 1 65 65 ALA C C 13 181.024 0.100 . 1 . . . . 65 ALA C . 7106 1 815 . 1 1 65 65 ALA CA C 13 54.489 0.100 . 1 . . . . 65 ALA CA . 7106 1 816 . 1 1 65 65 ALA CB C 13 17.409 0.100 . 1 . . . . 65 ALA CB . 7106 1 817 . 1 1 65 65 ALA N N 15 119.755 0.050 . 1 . . . . 65 ALA N . 7106 1 818 . 1 1 66 66 ILE H H 1 8.000 0.010 . 1 . . . . 66 ILE H . 7106 1 819 . 1 1 66 66 ILE HA H 1 3.775 0.010 . 1 . . . . 66 ILE HA . 7106 1 820 . 1 1 66 66 ILE HB H 1 1.470 0.010 . 1 . . . . 66 ILE HB . 7106 1 821 . 1 1 66 66 ILE HG12 H 1 1.703 0.010 . 2 . . . . 66 ILE HG12 . 7106 1 822 . 1 1 66 66 ILE HG13 H 1 0.886 0.010 . 2 . . . . 66 ILE HG13 . 7106 1 823 . 1 1 66 66 ILE HG21 H 1 0.273 0.010 . 1 . . . . 66 ILE HG2 . 7106 1 824 . 1 1 66 66 ILE HG22 H 1 0.273 0.010 . 1 . . . . 66 ILE HG2 . 7106 1 825 . 1 1 66 66 ILE HG23 H 1 0.273 0.010 . 1 . . . . 66 ILE HG2 . 7106 1 826 . 1 1 66 66 ILE HD11 H 1 0.160 0.010 . 1 . . . . 66 ILE HD1 . 7106 1 827 . 1 1 66 66 ILE HD12 H 1 0.160 0.010 . 1 . . . . 66 ILE HD1 . 7106 1 828 . 1 1 66 66 ILE HD13 H 1 0.160 0.010 . 1 . . . . 66 ILE HD1 . 7106 1 829 . 1 1 66 66 ILE C C 13 177.948 0.100 . 1 . . . . 66 ILE C . 7106 1 830 . 1 1 66 66 ILE CA C 13 64.792 0.100 . 1 . . . . 66 ILE CA . 7106 1 831 . 1 1 66 66 ILE CB C 13 37.373 0.100 . 1 . . . . 66 ILE CB . 7106 1 832 . 1 1 66 66 ILE CG1 C 13 30.127 0.100 . 1 . . . . 66 ILE CG1 . 7106 1 833 . 1 1 66 66 ILE CG2 C 13 17.670 0.100 . 1 . . . . 66 ILE CG2 . 7106 1 834 . 1 1 66 66 ILE CD1 C 13 12.824 0.100 . 1 . . . . 66 ILE CD1 . 7106 1 835 . 1 1 66 66 ILE N N 15 119.284 0.050 . 1 . . . . 66 ILE N . 7106 1 836 . 1 1 67 67 TYR H H 1 8.653 0.010 . 1 . . . . 67 TYR H . 7106 1 837 . 1 1 67 67 TYR HA H 1 4.013 0.010 . 1 . . . . 67 TYR HA . 7106 1 838 . 1 1 67 67 TYR HB2 H 1 3.152 0.010 . 2 . . . . 67 TYR HB2 . 7106 1 839 . 1 1 67 67 TYR HB3 H 1 3.289 0.010 . 2 . . . . 67 TYR HB3 . 7106 1 840 . 1 1 67 67 TYR HD1 H 1 6.905 0.010 . 1 . . . . 67 TYR HD . 7106 1 841 . 1 1 67 67 TYR HD2 H 1 6.905 0.010 . 1 . . . . 67 TYR HD . 7106 1 842 . 1 1 67 67 TYR HE1 H 1 6.799 0.010 . 1 . . . . 67 TYR HE . 7106 1 843 . 1 1 67 67 TYR HE2 H 1 6.799 0.010 . 1 . . . . 67 TYR HE . 7106 1 844 . 1 1 67 67 TYR C C 13 177.858 0.100 . 1 . . . . 67 TYR C . 7106 1 845 . 1 1 67 67 TYR CA C 13 61.179 0.100 . 1 . . . . 67 TYR CA . 7106 1 846 . 1 1 67 67 TYR CB C 13 38.968 0.100 . 1 . . . . 67 TYR CB . 7106 1 847 . 1 1 67 67 TYR CD1 C 13 132.262 0.100 . 1 . . . . 67 TYR CD . 7106 1 848 . 1 1 67 67 TYR CD2 C 13 132.262 0.100 . 1 . . . . 67 TYR CD . 7106 1 849 . 1 1 67 67 TYR CE1 C 13 117.527 0.100 . 1 . . . . 67 TYR CE . 7106 1 850 . 1 1 67 67 TYR CE2 C 13 117.527 0.100 . 1 . . . . 67 TYR CE . 7106 1 851 . 1 1 67 67 TYR N N 15 121.483 0.050 . 1 . . . . 67 TYR N . 7106 1 852 . 1 1 68 68 GLU H H 1 8.626 0.010 . 1 . . . . 68 GLU H . 7106 1 853 . 1 1 68 68 GLU HA H 1 3.753 0.010 . 1 . . . . 68 GLU HA . 7106 1 854 . 1 1 68 68 GLU HB2 H 1 1.873 0.010 . 2 . . . . 68 GLU HB2 . 7106 1 855 . 1 1 68 68 GLU HB3 H 1 1.892 0.010 . 2 . . . . 68 GLU HB3 . 7106 1 856 . 1 1 68 68 GLU HG2 H 1 2.267 0.010 . 2 . . . . 68 GLU HG2 . 7106 1 857 . 1 1 68 68 GLU HG3 H 1 2.730 0.010 . 2 . . . . 68 GLU HG3 . 7106 1 858 . 1 1 68 68 GLU C C 13 176.704 0.100 . 1 . . . . 68 GLU C . 7106 1 859 . 1 1 68 68 GLU CA C 13 57.871 0.100 . 1 . . . . 68 GLU CA . 7106 1 860 . 1 1 68 68 GLU CB C 13 28.968 0.100 . 1 . . . . 68 GLU CB . 7106 1 861 . 1 1 68 68 GLU CG C 13 36.795 0.100 . 1 . . . . 68 GLU CG . 7106 1 862 . 1 1 68 68 GLU N N 15 117.122 0.050 . 1 . . . . 68 GLU N . 7106 1 863 . 1 1 69 69 LYS H H 1 7.490 0.010 . 1 . . . . 69 LYS H . 7106 1 864 . 1 1 69 69 LYS HA H 1 3.856 0.010 . 1 . . . . 69 LYS HA . 7106 1 865 . 1 1 69 69 LYS HB2 H 1 1.098 0.010 . 2 . . . . 69 LYS HB2 . 7106 1 866 . 1 1 69 69 LYS HB3 H 1 1.454 0.010 . 2 . . . . 69 LYS HB3 . 7106 1 867 . 1 1 69 69 LYS HG2 H 1 0.720 0.010 . 1 . . . . 69 LYS HG2 . 7106 1 868 . 1 1 69 69 LYS HG3 H 1 0.720 0.010 . 1 . . . . 69 LYS HG3 . 7106 1 869 . 1 1 69 69 LYS HD2 H 1 1.205 0.010 . 1 . . . . 69 LYS HD2 . 7106 1 870 . 1 1 69 69 LYS HD3 H 1 1.205 0.010 . 1 . . . . 69 LYS HD3 . 7106 1 871 . 1 1 69 69 LYS HE2 H 1 2.633 0.010 . 2 . . . . 69 LYS HE2 . 7106 1 872 . 1 1 69 69 LYS HE3 H 1 2.501 0.010 . 2 . . . . 69 LYS HE3 . 7106 1 873 . 1 1 69 69 LYS C C 13 176.194 0.100 . 1 . . . . 69 LYS C . 7106 1 874 . 1 1 69 69 LYS CA C 13 58.124 0.100 . 1 . . . . 69 LYS CA . 7106 1 875 . 1 1 69 69 LYS CB C 13 33.352 0.100 . 1 . . . . 69 LYS CB . 7106 1 876 . 1 1 69 69 LYS CG C 13 24.440 0.100 . 1 . . . . 69 LYS CG . 7106 1 877 . 1 1 69 69 LYS CD C 13 28.906 0.100 . 1 . . . . 69 LYS CD . 7106 1 878 . 1 1 69 69 LYS CE C 13 41.288 0.100 . 1 . . . . 69 LYS CE . 7106 1 879 . 1 1 69 69 LYS N N 15 116.943 0.050 . 1 . . . . 69 LYS N . 7106 1 880 . 1 1 70 70 PHE H H 1 7.969 0.010 . 1 . . . . 70 PHE H . 7106 1 881 . 1 1 70 70 PHE HA H 1 4.749 0.010 . 1 . . . . 70 PHE HA . 7106 1 882 . 1 1 70 70 PHE HB2 H 1 2.856 0.010 . 2 . . . . 70 PHE HB2 . 7106 1 883 . 1 1 70 70 PHE HB3 H 1 2.586 0.010 . 2 . . . . 70 PHE HB3 . 7106 1 884 . 1 1 70 70 PHE HD1 H 1 6.599 0.010 . 1 . . . . 70 PHE HD . 7106 1 885 . 1 1 70 70 PHE HD2 H 1 6.599 0.010 . 1 . . . . 70 PHE HD . 7106 1 886 . 1 1 70 70 PHE C C 13 174.944 0.100 . 1 . . . . 70 PHE C . 7106 1 887 . 1 1 70 70 PHE CA C 13 57.023 0.100 . 1 . . . . 70 PHE CA . 7106 1 888 . 1 1 70 70 PHE CB C 13 42.368 0.100 . 1 . . . . 70 PHE CB . 7106 1 889 . 1 1 70 70 PHE N N 15 109.794 0.050 . 1 . . . . 70 PHE N . 7106 1 890 . 1 1 71 71 ILE H H 1 7.313 0.010 . 1 . . . . 71 ILE H . 7106 1 891 . 1 1 71 71 ILE HA H 1 4.187 0.010 . 1 . . . . 71 ILE HA . 7106 1 892 . 1 1 71 71 ILE HB H 1 2.014 0.010 . 1 . . . . 71 ILE HB . 7106 1 893 . 1 1 71 71 ILE HG12 H 1 1.465 0.010 . 2 . . . . 71 ILE HG12 . 7106 1 894 . 1 1 71 71 ILE HG13 H 1 1.394 0.010 . 2 . . . . 71 ILE HG13 . 7106 1 895 . 1 1 71 71 ILE HG21 H 1 0.796 0.010 . 1 . . . . 71 ILE HG2 . 7106 1 896 . 1 1 71 71 ILE HG22 H 1 0.796 0.010 . 1 . . . . 71 ILE HG2 . 7106 1 897 . 1 1 71 71 ILE HG23 H 1 0.796 0.010 . 1 . . . . 71 ILE HG2 . 7106 1 898 . 1 1 71 71 ILE HD11 H 1 0.589 0.010 . 1 . . . . 71 ILE HD1 . 7106 1 899 . 1 1 71 71 ILE HD12 H 1 0.589 0.010 . 1 . . . . 71 ILE HD1 . 7106 1 900 . 1 1 71 71 ILE HD13 H 1 0.589 0.010 . 1 . . . . 71 ILE HD1 . 7106 1 901 . 1 1 71 71 ILE C C 13 174.775 0.100 . 1 . . . . 71 ILE C . 7106 1 902 . 1 1 71 71 ILE CA C 13 59.565 0.100 . 1 . . . . 71 ILE CA . 7106 1 903 . 1 1 71 71 ILE CB C 13 36.664 0.100 . 1 . . . . 71 ILE CB . 7106 1 904 . 1 1 71 71 ILE CG1 C 13 26.486 0.100 . 1 . . . . 71 ILE CG1 . 7106 1 905 . 1 1 71 71 ILE CG2 C 13 17.356 0.100 . 1 . . . . 71 ILE CG2 . 7106 1 906 . 1 1 71 71 ILE CD1 C 13 10.043 0.100 . 1 . . . . 71 ILE CD1 . 7106 1 907 . 1 1 71 71 ILE N N 15 116.172 0.050 . 1 . . . . 71 ILE N . 7106 1 908 . 1 1 72 72 GLN H H 1 7.274 0.010 . 1 . . . . 72 GLN H . 7106 1 909 . 1 1 72 72 GLN HA H 1 3.641 0.010 . 1 . . . . 72 GLN HA . 7106 1 910 . 1 1 72 72 GLN HB2 H 1 1.626 0.010 . 2 . . . . 72 GLN HB2 . 7106 1 911 . 1 1 72 72 GLN HB3 H 1 1.316 0.010 . 2 . . . . 72 GLN HB3 . 7106 1 912 . 1 1 72 72 GLN HG2 H 1 2.254 0.010 . 2 . . . . 72 GLN HG2 . 7106 1 913 . 1 1 72 72 GLN HG3 H 1 1.985 0.010 . 2 . . . . 72 GLN HG3 . 7106 1 914 . 1 1 72 72 GLN C C 13 173.492 0.100 . 1 . . . . 72 GLN C . 7106 1 915 . 1 1 72 72 GLN CA C 13 54.921 0.100 . 1 . . . . 72 GLN CA . 7106 1 916 . 1 1 72 72 GLN CB C 13 28.567 0.100 . 1 . . . . 72 GLN CB . 7106 1 917 . 1 1 72 72 GLN CG C 13 31.990 0.100 . 1 . . . . 72 GLN CG . 7106 1 918 . 1 1 72 72 GLN N N 15 117.719 0.050 . 1 . . . . 72 GLN N . 7106 1 919 . 1 1 73 73 THR H H 1 8.089 0.010 . 1 . . . . 73 THR H . 7106 1 920 . 1 1 73 73 THR HA H 1 3.822 0.010 . 1 . . . . 73 THR HA . 7106 1 921 . 1 1 73 73 THR HB H 1 3.805 0.010 . 1 . . . . 73 THR HB . 7106 1 922 . 1 1 73 73 THR HG21 H 1 1.166 0.010 . 1 . . . . 73 THR HG2 . 7106 1 923 . 1 1 73 73 THR HG22 H 1 1.166 0.010 . 1 . . . . 73 THR HG2 . 7106 1 924 . 1 1 73 73 THR HG23 H 1 1.166 0.010 . 1 . . . . 73 THR HG2 . 7106 1 925 . 1 1 73 73 THR C C 13 175.464 0.100 . 1 . . . . 73 THR C . 7106 1 926 . 1 1 73 73 THR CA C 13 64.537 0.100 . 1 . . . . 73 THR CA . 7106 1 927 . 1 1 73 73 THR CB C 13 68.505 0.100 . 1 . . . . 73 THR CB . 7106 1 928 . 1 1 73 73 THR CG2 C 13 21.595 0.100 . 1 . . . . 73 THR CG2 . 7106 1 929 . 1 1 73 73 THR N N 15 118.830 0.050 . 1 . . . . 73 THR N . 7106 1 930 . 1 1 74 74 ASP H H 1 8.757 0.010 . 1 . . . . 74 ASP H . 7106 1 931 . 1 1 74 74 ASP HA H 1 4.207 0.010 . 1 . . . . 74 ASP HA . 7106 1 932 . 1 1 74 74 ASP HB2 H 1 2.806 0.010 . 1 . . . . 74 ASP HB2 . 7106 1 933 . 1 1 74 74 ASP HB3 H 1 2.806 0.010 . 1 . . . . 74 ASP HB3 . 7106 1 934 . 1 1 74 74 ASP C C 13 175.004 0.100 . 1 . . . . 74 ASP C . 7106 1 935 . 1 1 74 74 ASP CA C 13 55.751 0.100 . 1 . . . . 74 ASP CA . 7106 1 936 . 1 1 74 74 ASP CB C 13 37.895 0.100 . 1 . . . . 74 ASP CB . 7106 1 937 . 1 1 74 74 ASP N N 15 122.040 0.050 . 1 . . . . 74 ASP N . 7106 1 938 . 1 1 75 75 ALA H H 1 7.871 0.010 . 1 . . . . 75 ALA H . 7106 1 939 . 1 1 75 75 ALA HA H 1 4.065 0.010 . 1 . . . . 75 ALA HA . 7106 1 940 . 1 1 75 75 ALA HB1 H 1 1.019 0.010 . 1 . . . . 75 ALA HB . 7106 1 941 . 1 1 75 75 ALA HB2 H 1 1.019 0.010 . 1 . . . . 75 ALA HB . 7106 1 942 . 1 1 75 75 ALA HB3 H 1 1.019 0.010 . 1 . . . . 75 ALA HB . 7106 1 943 . 1 1 75 75 ALA C C 13 176.590 0.100 . 1 . . . . 75 ALA C . 7106 1 944 . 1 1 75 75 ALA CA C 13 50.439 0.100 . 1 . . . . 75 ALA CA . 7106 1 945 . 1 1 75 75 ALA CB C 13 16.519 0.100 . 1 . . . . 75 ALA CB . 7106 1 946 . 1 1 75 75 ALA N N 15 123.154 0.050 . 1 . . . . 75 ALA N . 7106 1 947 . 1 1 76 76 PRO HA H 1 4.227 0.010 . 1 . . . . 76 PRO HA . 7106 1 948 . 1 1 76 76 PRO HB2 H 1 2.275 0.010 . 2 . . . . 76 PRO HB2 . 7106 1 949 . 1 1 76 76 PRO HB3 H 1 1.820 0.010 . 2 . . . . 76 PRO HB3 . 7106 1 950 . 1 1 76 76 PRO HG2 H 1 1.998 0.010 . 1 . . . . 76 PRO HG2 . 7106 1 951 . 1 1 76 76 PRO HG3 H 1 1.998 0.010 . 1 . . . . 76 PRO HG3 . 7106 1 952 . 1 1 76 76 PRO HD2 H 1 3.547 0.010 . 2 . . . . 76 PRO HD2 . 7106 1 953 . 1 1 76 76 PRO HD3 H 1 4.050 0.010 . 2 . . . . 76 PRO HD3 . 7106 1 954 . 1 1 76 76 PRO C C 13 177.602 0.100 . 1 . . . . 76 PRO C . 7106 1 955 . 1 1 76 76 PRO CA C 13 64.033 0.100 . 1 . . . . 76 PRO CA . 7106 1 956 . 1 1 76 76 PRO CB C 13 31.292 0.100 . 1 . . . . 76 PRO CB . 7106 1 957 . 1 1 76 76 PRO CG C 13 26.995 0.100 . 1 . . . . 76 PRO CG . 7106 1 958 . 1 1 76 76 PRO CD C 13 49.279 0.100 . 1 . . . . 76 PRO CD . 7106 1 959 . 1 1 77 77 LYS H H 1 7.561 0.010 . 1 . . . . 77 LYS H . 7106 1 960 . 1 1 77 77 LYS HA H 1 4.522 0.010 . 1 . . . . 77 LYS HA . 7106 1 961 . 1 1 77 77 LYS HB2 H 1 1.188 0.010 . 2 . . . . 77 LYS HB2 . 7106 1 962 . 1 1 77 77 LYS HB3 H 1 1.749 0.010 . 2 . . . . 77 LYS HB3 . 7106 1 963 . 1 1 77 77 LYS HG2 H 1 1.304 0.010 . 1 . . . . 77 LYS HG2 . 7106 1 964 . 1 1 77 77 LYS HG3 H 1 1.304 0.010 . 1 . . . . 77 LYS HG3 . 7106 1 965 . 1 1 77 77 LYS HD2 H 1 1.659 0.010 . 1 . . . . 77 LYS HD2 . 7106 1 966 . 1 1 77 77 LYS HD3 H 1 1.659 0.010 . 1 . . . . 77 LYS HD3 . 7106 1 967 . 1 1 77 77 LYS HE2 H 1 2.828 0.010 . 1 . . . . 77 LYS HE2 . 7106 1 968 . 1 1 77 77 LYS HE3 H 1 2.828 0.010 . 1 . . . . 77 LYS HE3 . 7106 1 969 . 1 1 77 77 LYS C C 13 173.268 0.100 . 1 . . . . 77 LYS C . 7106 1 970 . 1 1 77 77 LYS CA C 13 52.468 0.100 . 1 . . . . 77 LYS CA . 7106 1 971 . 1 1 77 77 LYS CB C 13 31.764 0.100 . 1 . . . . 77 LYS CB . 7106 1 972 . 1 1 77 77 LYS CD C 13 29.069 0.100 . 1 . . . . 77 LYS CD . 7106 1 973 . 1 1 77 77 LYS CE C 13 41.548 0.100 . 1 . . . . 77 LYS CE . 7106 1 974 . 1 1 77 77 LYS N N 15 118.191 0.050 . 1 . . . . 77 LYS N . 7106 1 975 . 1 1 78 78 GLU H H 1 6.300 0.010 . 1 . . . . 78 GLU H . 7106 1 976 . 1 1 78 78 GLU HA H 1 3.727 0.010 . 1 . . . . 78 GLU HA . 7106 1 977 . 1 1 78 78 GLU HB2 H 1 1.980 0.010 . 2 . . . . 78 GLU HB2 . 7106 1 978 . 1 1 78 78 GLU HB3 H 1 1.693 0.010 . 2 . . . . 78 GLU HB3 . 7106 1 979 . 1 1 78 78 GLU HG2 H 1 1.995 0.010 . 1 . . . . 78 GLU HG2 . 7106 1 980 . 1 1 78 78 GLU HG3 H 1 1.995 0.010 . 1 . . . . 78 GLU HG3 . 7106 1 981 . 1 1 78 78 GLU C C 13 177.239 0.100 . 1 . . . . 78 GLU C . 7106 1 982 . 1 1 78 78 GLU CA C 13 56.451 0.100 . 1 . . . . 78 GLU CA . 7106 1 983 . 1 1 78 78 GLU CB C 13 30.024 0.100 . 1 . . . . 78 GLU CB . 7106 1 984 . 1 1 78 78 GLU CG C 13 34.685 0.100 . 1 . . . . 78 GLU CG . 7106 1 985 . 1 1 78 78 GLU N N 15 115.905 0.050 . 1 . . . . 78 GLU N . 7106 1 986 . 1 1 79 79 VAL H H 1 8.186 0.010 . 1 . . . . 79 VAL H . 7106 1 987 . 1 1 79 79 VAL HA H 1 4.411 0.010 . 1 . . . . 79 VAL HA . 7106 1 988 . 1 1 79 79 VAL HB H 1 1.731 0.010 . 1 . . . . 79 VAL HB . 7106 1 989 . 1 1 79 79 VAL HG11 H 1 0.287 0.010 . 2 . . . . 79 VAL HG1 . 7106 1 990 . 1 1 79 79 VAL HG12 H 1 0.287 0.010 . 2 . . . . 79 VAL HG1 . 7106 1 991 . 1 1 79 79 VAL HG13 H 1 0.287 0.010 . 2 . . . . 79 VAL HG1 . 7106 1 992 . 1 1 79 79 VAL HG21 H 1 0.776 0.010 . 2 . . . . 79 VAL HG2 . 7106 1 993 . 1 1 79 79 VAL HG22 H 1 0.776 0.010 . 2 . . . . 79 VAL HG2 . 7106 1 994 . 1 1 79 79 VAL HG23 H 1 0.776 0.010 . 2 . . . . 79 VAL HG2 . 7106 1 995 . 1 1 79 79 VAL C C 13 175.813 0.100 . 1 . . . . 79 VAL C . 7106 1 996 . 1 1 79 79 VAL CA C 13 59.254 0.100 . 1 . . . . 79 VAL CA . 7106 1 997 . 1 1 79 79 VAL CB C 13 33.252 0.100 . 1 . . . . 79 VAL CB . 7106 1 998 . 1 1 79 79 VAL CG1 C 13 17.873 0.100 . 2 . . . . 79 VAL CG1 . 7106 1 999 . 1 1 79 79 VAL CG2 C 13 21.604 0.100 . 2 . . . . 79 VAL CG2 . 7106 1 1000 . 1 1 79 79 VAL N N 15 122.766 0.050 . 1 . . . . 79 VAL N . 7106 1 1001 . 1 1 80 80 ASN H H 1 9.061 0.010 . 1 . . . . 80 ASN H . 7106 1 1002 . 1 1 80 80 ASN HA H 1 4.586 0.010 . 1 . . . . 80 ASN HA . 7106 1 1003 . 1 1 80 80 ASN HB2 H 1 2.865 0.010 . 2 . . . . 80 ASN HB2 . 7106 1 1004 . 1 1 80 80 ASN HB3 H 1 2.676 0.010 . 2 . . . . 80 ASN HB3 . 7106 1 1005 . 1 1 80 80 ASN HD21 H 1 6.814 0.010 . 2 . . . . 80 ASN HD21 . 7106 1 1006 . 1 1 80 80 ASN HD22 H 1 7.440 0.010 . 2 . . . . 80 ASN HD22 . 7106 1 1007 . 1 1 80 80 ASN C C 13 174.103 0.100 . 1 . . . . 80 ASN C . 7106 1 1008 . 1 1 80 80 ASN CA C 13 52.876 0.100 . 1 . . . . 80 ASN CA . 7106 1 1009 . 1 1 80 80 ASN CB C 13 37.087 0.100 . 1 . . . . 80 ASN CB . 7106 1 1010 . 1 1 80 80 ASN N N 15 122.803 0.050 . 1 . . . . 80 ASN N . 7106 1 1011 . 1 1 80 80 ASN ND2 N 15 111.369 0.050 . 1 . . . . 80 ASN ND2 . 7106 1 1012 . 1 1 81 81 LEU H H 1 7.649 0.010 . 1 . . . . 81 LEU H . 7106 1 1013 . 1 1 81 81 LEU HA H 1 4.497 0.010 . 1 . . . . 81 LEU HA . 7106 1 1014 . 1 1 81 81 LEU HB2 H 1 1.293 0.010 . 2 . . . . 81 LEU HB2 . 7106 1 1015 . 1 1 81 81 LEU HB3 H 1 1.535 0.010 . 2 . . . . 81 LEU HB3 . 7106 1 1016 . 1 1 81 81 LEU HG H 1 1.477 0.010 . 1 . . . . 81 LEU HG . 7106 1 1017 . 1 1 81 81 LEU HD11 H 1 0.817 0.010 . 2 . . . . 81 LEU HD1 . 7106 1 1018 . 1 1 81 81 LEU HD12 H 1 0.817 0.010 . 2 . . . . 81 LEU HD1 . 7106 1 1019 . 1 1 81 81 LEU HD13 H 1 0.817 0.010 . 2 . . . . 81 LEU HD1 . 7106 1 1020 . 1 1 81 81 LEU HD21 H 1 0.664 0.010 . 2 . . . . 81 LEU HD2 . 7106 1 1021 . 1 1 81 81 LEU HD22 H 1 0.664 0.010 . 2 . . . . 81 LEU HD2 . 7106 1 1022 . 1 1 81 81 LEU HD23 H 1 0.664 0.010 . 2 . . . . 81 LEU HD2 . 7106 1 1023 . 1 1 81 81 LEU C C 13 175.671 0.100 . 1 . . . . 81 LEU C . 7106 1 1024 . 1 1 81 81 LEU CA C 13 52.426 0.100 . 1 . . . . 81 LEU CA . 7106 1 1025 . 1 1 81 81 LEU CB C 13 45.091 0.100 . 1 . . . . 81 LEU CB . 7106 1 1026 . 1 1 81 81 LEU CG C 13 26.400 0.100 . 1 . . . . 81 LEU CG . 7106 1 1027 . 1 1 81 81 LEU CD1 C 13 22.994 0.100 . 2 . . . . 81 LEU CD1 . 7106 1 1028 . 1 1 81 81 LEU CD2 C 13 25.922 0.100 . 2 . . . . 81 LEU CD2 . 7106 1 1029 . 1 1 81 81 LEU N N 15 123.972 0.050 . 1 . . . . 81 LEU N . 7106 1 1030 . 1 1 82 82 ASP H H 1 8.170 0.010 . 1 . . . . 82 ASP H . 7106 1 1031 . 1 1 82 82 ASP HA H 1 4.546 0.010 . 1 . . . . 82 ASP HA . 7106 1 1032 . 1 1 82 82 ASP HB2 H 1 2.901 0.010 . 2 . . . . 82 ASP HB2 . 7106 1 1033 . 1 1 82 82 ASP HB3 H 1 2.686 0.010 . 2 . . . . 82 ASP HB3 . 7106 1 1034 . 1 1 82 82 ASP C C 13 175.317 0.100 . 1 . . . . 82 ASP C . 7106 1 1035 . 1 1 82 82 ASP CA C 13 52.582 0.100 . 1 . . . . 82 ASP CA . 7106 1 1036 . 1 1 82 82 ASP CB C 13 41.041 0.100 . 1 . . . . 82 ASP CB . 7106 1 1037 . 1 1 82 82 ASP N N 15 118.813 0.050 . 1 . . . . 82 ASP N . 7106 1 1038 . 1 1 83 83 PHE H H 1 8.708 0.010 . 1 . . . . 83 PHE H . 7106 1 1039 . 1 1 83 83 PHE HA H 1 4.053 0.010 . 1 . . . . 83 PHE HA . 7106 1 1040 . 1 1 83 83 PHE HB2 H 1 3.244 0.010 . 2 . . . . 83 PHE HB2 . 7106 1 1041 . 1 1 83 83 PHE HB3 H 1 3.018 0.010 . 2 . . . . 83 PHE HB3 . 7106 1 1042 . 1 1 83 83 PHE HD1 H 1 7.151 0.010 . 1 . . . . 83 PHE HD . 7106 1 1043 . 1 1 83 83 PHE HD2 H 1 7.151 0.010 . 1 . . . . 83 PHE HD . 7106 1 1044 . 1 1 83 83 PHE C C 13 177.442 0.100 . 1 . . . . 83 PHE C . 7106 1 1045 . 1 1 83 83 PHE CA C 13 61.189 0.100 . 1 . . . . 83 PHE CA . 7106 1 1046 . 1 1 83 83 PHE CB C 13 38.569 0.100 . 1 . . . . 83 PHE CB . 7106 1 1047 . 1 1 83 83 PHE N N 15 120.517 0.050 . 1 . . . . 83 PHE N . 7106 1 1048 . 1 1 84 84 HIS H H 1 8.583 0.010 . 1 . . . . 84 HIS H . 7106 1 1049 . 1 1 84 84 HIS HA H 1 4.318 0.010 . 1 . . . . 84 HIS HA . 7106 1 1050 . 1 1 84 84 HIS HB2 H 1 3.230 0.010 . 1 . . . . 84 HIS HB2 . 7106 1 1051 . 1 1 84 84 HIS HB3 H 1 3.230 0.010 . 1 . . . . 84 HIS HB3 . 7106 1 1052 . 1 1 84 84 HIS HD2 H 1 7.263 0.010 . 1 . . . . 84 HIS HD2 . 7106 1 1053 . 1 1 84 84 HIS HE1 H 1 8.346 0.010 . 1 . . . . 84 HIS HE1 . 7106 1 1054 . 1 1 84 84 HIS C C 13 176.189 0.100 . 1 . . . . 84 HIS C . 7106 1 1055 . 1 1 84 84 HIS CA C 13 58.792 0.100 . 1 . . . . 84 HIS CA . 7106 1 1056 . 1 1 84 84 HIS CB C 13 27.576 0.100 . 1 . . . . 84 HIS CB . 7106 1 1057 . 1 1 84 84 HIS CD2 C 13 119.541 0.100 . 1 . . . . 84 HIS CD2 . 7106 1 1058 . 1 1 84 84 HIS CE1 C 13 136.388 0.100 . 1 . . . . 84 HIS CE1 . 7106 1 1059 . 1 1 84 84 HIS N N 15 117.802 0.050 . 1 . . . . 84 HIS N . 7106 1 1060 . 1 1 85 85 THR H H 1 8.072 0.010 . 1 . . . . 85 THR H . 7106 1 1061 . 1 1 85 85 THR HA H 1 3.998 0.010 . 1 . . . . 85 THR HA . 7106 1 1062 . 1 1 85 85 THR HB H 1 3.624 0.010 . 1 . . . . 85 THR HB . 7106 1 1063 . 1 1 85 85 THR HG21 H 1 1.137 0.010 . 1 . . . . 85 THR HG2 . 7106 1 1064 . 1 1 85 85 THR HG22 H 1 1.137 0.010 . 1 . . . . 85 THR HG2 . 7106 1 1065 . 1 1 85 85 THR HG23 H 1 1.137 0.010 . 1 . . . . 85 THR HG2 . 7106 1 1066 . 1 1 85 85 THR C C 13 176.799 0.100 . 1 . . . . 85 THR C . 7106 1 1067 . 1 1 85 85 THR CA C 13 66.535 0.100 . 1 . . . . 85 THR CA . 7106 1 1068 . 1 1 85 85 THR CG2 C 13 21.933 0.100 . 1 . . . . 85 THR CG2 . 7106 1 1069 . 1 1 85 85 THR N N 15 117.789 0.050 . 1 . . . . 85 THR N . 7106 1 1070 . 1 1 86 86 LYS H H 1 7.668 0.010 . 1 . . . . 86 LYS H . 7106 1 1071 . 1 1 86 86 LYS HA H 1 3.636 0.010 . 1 . . . . 86 LYS HA . 7106 1 1072 . 1 1 86 86 LYS HB2 H 1 1.658 0.010 . 2 . . . . 86 LYS HB2 . 7106 1 1073 . 1 1 86 86 LYS HB3 H 1 1.693 0.010 . 2 . . . . 86 LYS HB3 . 7106 1 1074 . 1 1 86 86 LYS HG2 H 1 1.292 0.010 . 2 . . . . 86 LYS HG2 . 7106 1 1075 . 1 1 86 86 LYS HG3 H 1 1.139 0.010 . 2 . . . . 86 LYS HG3 . 7106 1 1076 . 1 1 86 86 LYS HD2 H 1 1.624 0.010 . 1 . . . . 86 LYS HD2 . 7106 1 1077 . 1 1 86 86 LYS HD3 H 1 1.624 0.010 . 1 . . . . 86 LYS HD3 . 7106 1 1078 . 1 1 86 86 LYS HE2 H 1 2.905 0.010 . 1 . . . . 86 LYS HE2 . 7106 1 1079 . 1 1 86 86 LYS HE3 H 1 2.905 0.010 . 1 . . . . 86 LYS HE3 . 7106 1 1080 . 1 1 86 86 LYS C C 13 177.726 0.100 . 1 . . . . 86 LYS C . 7106 1 1081 . 1 1 86 86 LYS CA C 13 60.095 0.100 . 1 . . . . 86 LYS CA . 7106 1 1082 . 1 1 86 86 LYS CB C 13 31.864 0.100 . 1 . . . . 86 LYS CB . 7106 1 1083 . 1 1 86 86 LYS CG C 13 25.431 0.100 . 1 . . . . 86 LYS CG . 7106 1 1084 . 1 1 86 86 LYS CD C 13 29.431 0.100 . 1 . . . . 86 LYS CD . 7106 1 1085 . 1 1 86 86 LYS CE C 13 41.290 0.100 . 1 . . . . 86 LYS CE . 7106 1 1086 . 1 1 86 86 LYS N N 15 119.353 0.050 . 1 . . . . 86 LYS N . 7106 1 1087 . 1 1 87 87 GLU H H 1 8.372 0.010 . 1 . . . . 87 GLU H . 7106 1 1088 . 1 1 87 87 GLU HA H 1 3.781 0.010 . 1 . . . . 87 GLU HA . 7106 1 1089 . 1 1 87 87 GLU HB2 H 1 1.894 0.010 . 2 . . . . 87 GLU HB2 . 7106 1 1090 . 1 1 87 87 GLU HB3 H 1 1.762 0.010 . 2 . . . . 87 GLU HB3 . 7106 1 1091 . 1 1 87 87 GLU HG2 H 1 2.034 0.010 . 1 . . . . 87 GLU HG2 . 7106 1 1092 . 1 1 87 87 GLU HG3 H 1 2.034 0.010 . 1 . . . . 87 GLU HG3 . 7106 1 1093 . 1 1 87 87 GLU C C 13 178.015 0.100 . 1 . . . . 87 GLU C . 7106 1 1094 . 1 1 87 87 GLU CA C 13 58.993 0.100 . 1 . . . . 87 GLU CA . 7106 1 1095 . 1 1 87 87 GLU CB C 13 28.824 0.100 . 1 . . . . 87 GLU CB . 7106 1 1096 . 1 1 87 87 GLU CG C 13 35.721 0.100 . 1 . . . . 87 GLU CG . 7106 1 1097 . 1 1 87 87 GLU N N 15 122.720 0.050 . 1 . . . . 87 GLU N . 7106 1 1098 . 1 1 88 88 VAL H H 1 7.842 0.010 . 1 . . . . 88 VAL H . 7106 1 1099 . 1 1 88 88 VAL HA H 1 3.544 0.010 . 1 . . . . 88 VAL HA . 7106 1 1100 . 1 1 88 88 VAL HB H 1 1.923 0.010 . 1 . . . . 88 VAL HB . 7106 1 1101 . 1 1 88 88 VAL HG11 H 1 0.827 0.010 . 2 . . . . 88 VAL HG1 . 7106 1 1102 . 1 1 88 88 VAL HG12 H 1 0.827 0.010 . 2 . . . . 88 VAL HG1 . 7106 1 1103 . 1 1 88 88 VAL HG13 H 1 0.827 0.010 . 2 . . . . 88 VAL HG1 . 7106 1 1104 . 1 1 88 88 VAL HG21 H 1 0.715 0.010 . 2 . . . . 88 VAL HG2 . 7106 1 1105 . 1 1 88 88 VAL HG22 H 1 0.715 0.010 . 2 . . . . 88 VAL HG2 . 7106 1 1106 . 1 1 88 88 VAL HG23 H 1 0.715 0.010 . 2 . . . . 88 VAL HG2 . 7106 1 1107 . 1 1 88 88 VAL C C 13 179.829 0.100 . 1 . . . . 88 VAL C . 7106 1 1108 . 1 1 88 88 VAL CA C 13 65.724 0.100 . 1 . . . . 88 VAL CA . 7106 1 1109 . 1 1 88 88 VAL CB C 13 31.159 0.100 . 1 . . . . 88 VAL CB . 7106 1 1110 . 1 1 88 88 VAL CG1 C 13 20.664 0.100 . 2 . . . . 88 VAL CG1 . 7106 1 1111 . 1 1 88 88 VAL CG2 C 13 21.894 0.100 . 2 . . . . 88 VAL CG2 . 7106 1 1112 . 1 1 88 88 VAL N N 15 118.859 0.050 . 1 . . . . 88 VAL N . 7106 1 1113 . 1 1 89 89 ILE H H 1 7.480 0.010 . 1 . . . . 89 ILE H . 7106 1 1114 . 1 1 89 89 ILE HA H 1 3.582 0.010 . 1 . . . . 89 ILE HA . 7106 1 1115 . 1 1 89 89 ILE HB H 1 1.933 0.010 . 1 . . . . 89 ILE HB . 7106 1 1116 . 1 1 89 89 ILE HG12 H 1 1.858 0.010 . 1 . . . . 89 ILE HG12 . 7106 1 1117 . 1 1 89 89 ILE HG13 H 1 1.858 0.010 . 1 . . . . 89 ILE HG13 . 7106 1 1118 . 1 1 89 89 ILE HG21 H 1 0.966 0.010 . 1 . . . . 89 ILE HG2 . 7106 1 1119 . 1 1 89 89 ILE HG22 H 1 0.966 0.010 . 1 . . . . 89 ILE HG2 . 7106 1 1120 . 1 1 89 89 ILE HG23 H 1 0.966 0.010 . 1 . . . . 89 ILE HG2 . 7106 1 1121 . 1 1 89 89 ILE HD11 H 1 0.961 0.010 . 1 . . . . 89 ILE HD1 . 7106 1 1122 . 1 1 89 89 ILE HD12 H 1 0.961 0.010 . 1 . . . . 89 ILE HD1 . 7106 1 1123 . 1 1 89 89 ILE HD13 H 1 0.961 0.010 . 1 . . . . 89 ILE HD1 . 7106 1 1124 . 1 1 89 89 ILE C C 13 177.855 0.100 . 1 . . . . 89 ILE C . 7106 1 1125 . 1 1 89 89 ILE CA C 13 64.446 0.100 . 1 . . . . 89 ILE CA . 7106 1 1126 . 1 1 89 89 ILE CB C 13 37.382 0.100 . 1 . . . . 89 ILE CB . 7106 1 1127 . 1 1 89 89 ILE CG1 C 13 28.297 0.100 . 1 . . . . 89 ILE CG1 . 7106 1 1128 . 1 1 89 89 ILE CG2 C 13 18.508 0.100 . 1 . . . . 89 ILE CG2 . 7106 1 1129 . 1 1 89 89 ILE CD1 C 13 14.518 0.100 . 1 . . . . 89 ILE CD1 . 7106 1 1130 . 1 1 89 89 ILE N N 15 120.123 0.050 . 1 . . . . 89 ILE N . 7106 1 1131 . 1 1 90 90 THR H H 1 8.633 0.010 . 1 . . . . 90 THR H . 7106 1 1132 . 1 1 90 90 THR HA H 1 4.279 0.010 . 1 . . . . 90 THR HA . 7106 1 1133 . 1 1 90 90 THR HB H 1 3.506 0.010 . 1 . . . . 90 THR HB . 7106 1 1134 . 1 1 90 90 THR HG21 H 1 1.191 0.010 . 1 . . . . 90 THR HG2 . 7106 1 1135 . 1 1 90 90 THR HG22 H 1 1.191 0.010 . 1 . . . . 90 THR HG2 . 7106 1 1136 . 1 1 90 90 THR HG23 H 1 1.191 0.010 . 1 . . . . 90 THR HG2 . 7106 1 1137 . 1 1 90 90 THR C C 13 175.781 0.100 . 1 . . . . 90 THR C . 7106 1 1138 . 1 1 90 90 THR CA C 13 66.728 0.100 . 1 . . . . 90 THR CA . 7106 1 1139 . 1 1 90 90 THR CB C 13 68.355 0.100 . 1 . . . . 90 THR CB . 7106 1 1140 . 1 1 90 90 THR CG2 C 13 20.586 0.100 . 1 . . . . 90 THR CG2 . 7106 1 1141 . 1 1 90 90 THR N N 15 117.622 0.050 . 1 . . . . 90 THR N . 7106 1 1142 . 1 1 91 91 ASN H H 1 8.051 0.010 . 1 . . . . 91 ASN H . 7106 1 1143 . 1 1 91 91 ASN HA H 1 4.495 0.010 . 1 . . . . 91 ASN HA . 7106 1 1144 . 1 1 91 91 ASN HB2 H 1 2.781 0.010 . 1 . . . . 91 ASN HB2 . 7106 1 1145 . 1 1 91 91 ASN HB3 H 1 2.781 0.010 . 1 . . . . 91 ASN HB3 . 7106 1 1146 . 1 1 91 91 ASN HD21 H 1 6.966 0.010 . 2 . . . . 91 ASN HD21 . 7106 1 1147 . 1 1 91 91 ASN HD22 H 1 7.360 0.010 . 2 . . . . 91 ASN HD22 . 7106 1 1148 . 1 1 91 91 ASN C C 13 175.945 0.100 . 1 . . . . 91 ASN C . 7106 1 1149 . 1 1 91 91 ASN CA C 13 54.305 0.100 . 1 . . . . 91 ASN CA . 7106 1 1150 . 1 1 91 91 ASN CB C 13 37.907 0.100 . 1 . . . . 91 ASN CB . 7106 1 1151 . 1 1 91 91 ASN N N 15 116.533 0.050 . 1 . . . . 91 ASN N . 7106 1 1152 . 1 1 91 91 ASN ND2 N 15 112.187 0.050 . 1 . . . . 91 ASN ND2 . 7106 1 1153 . 1 1 92 92 SER H H 1 7.765 0.010 . 1 . . . . 92 SER H . 7106 1 1154 . 1 1 92 92 SER HA H 1 4.602 0.010 . 1 . . . . 92 SER HA . 7106 1 1155 . 1 1 92 92 SER HB2 H 1 3.859 0.010 . 1 . . . . 92 SER HB2 . 7106 1 1156 . 1 1 92 92 SER HB3 H 1 3.859 0.010 . 1 . . . . 92 SER HB3 . 7106 1 1157 . 1 1 92 92 SER C C 13 176.111 0.100 . 1 . . . . 92 SER C . 7106 1 1158 . 1 1 92 92 SER CA C 13 58.257 0.100 . 1 . . . . 92 SER CA . 7106 1 1159 . 1 1 92 92 SER CB C 13 63.894 0.100 . 1 . . . . 92 SER CB . 7106 1 1160 . 1 1 92 92 SER N N 15 113.553 0.050 . 1 . . . . 92 SER N . 7106 1 1161 . 1 1 93 93 ILE H H 1 7.269 0.010 . 1 . . . . 93 ILE H . 7106 1 1162 . 1 1 93 93 ILE HA H 1 3.777 0.010 . 1 . . . . 93 ILE HA . 7106 1 1163 . 1 1 93 93 ILE HB H 1 1.710 0.010 . 1 . . . . 93 ILE HB . 7106 1 1164 . 1 1 93 93 ILE HG12 H 1 1.082 0.010 . 2 . . . . 93 ILE HG12 . 7106 1 1165 . 1 1 93 93 ILE HG13 H 1 0.833 0.010 . 2 . . . . 93 ILE HG13 . 7106 1 1166 . 1 1 93 93 ILE HG21 H 1 0.514 0.010 . 1 . . . . 93 ILE HG2 . 7106 1 1167 . 1 1 93 93 ILE HG22 H 1 0.514 0.010 . 1 . . . . 93 ILE HG2 . 7106 1 1168 . 1 1 93 93 ILE HG23 H 1 0.514 0.010 . 1 . . . . 93 ILE HG2 . 7106 1 1169 . 1 1 93 93 ILE HD11 H 1 0.593 0.010 . 1 . . . . 93 ILE HD1 . 7106 1 1170 . 1 1 93 93 ILE HD12 H 1 0.593 0.010 . 1 . . . . 93 ILE HD1 . 7106 1 1171 . 1 1 93 93 ILE HD13 H 1 0.593 0.010 . 1 . . . . 93 ILE HD1 . 7106 1 1172 . 1 1 93 93 ILE C C 13 175.051 0.100 . 1 . . . . 93 ILE C . 7106 1 1173 . 1 1 93 93 ILE CA C 13 60.268 0.100 . 1 . . . . 93 ILE CA . 7106 1 1174 . 1 1 93 93 ILE CB C 13 37.205 0.100 . 1 . . . . 93 ILE CB . 7106 1 1175 . 1 1 93 93 ILE CG1 C 13 27.038 0.100 . 1 . . . . 93 ILE CG1 . 7106 1 1176 . 1 1 93 93 ILE CG2 C 13 17.546 0.100 . 1 . . . . 93 ILE CG2 . 7106 1 1177 . 1 1 93 93 ILE CD1 C 13 13.219 0.100 . 1 . . . . 93 ILE CD1 . 7106 1 1178 . 1 1 93 93 ILE N N 15 120.451 0.050 . 1 . . . . 93 ILE N . 7106 1 1179 . 1 1 94 94 THR H H 1 7.479 0.010 . 1 . . . . 94 THR H . 7106 1 1180 . 1 1 94 94 THR HA H 1 4.292 0.010 . 1 . . . . 94 THR HA . 7106 1 1181 . 1 1 94 94 THR HB H 1 4.143 0.010 . 1 . . . . 94 THR HB . 7106 1 1182 . 1 1 94 94 THR HG21 H 1 1.183 0.010 . 1 . . . . 94 THR HG2 . 7106 1 1183 . 1 1 94 94 THR HG22 H 1 1.183 0.010 . 1 . . . . 94 THR HG2 . 7106 1 1184 . 1 1 94 94 THR HG23 H 1 1.183 0.010 . 1 . . . . 94 THR HG2 . 7106 1 1185 . 1 1 94 94 THR C C 13 175.157 0.100 . 1 . . . . 94 THR C . 7106 1 1186 . 1 1 94 94 THR CA C 13 62.672 0.100 . 1 . . . . 94 THR CA . 7106 1 1187 . 1 1 94 94 THR CB C 13 68.084 0.100 . 1 . . . . 94 THR CB . 7106 1 1188 . 1 1 94 94 THR CG2 C 13 21.628 0.100 . 1 . . . . 94 THR CG2 . 7106 1 1189 . 1 1 94 94 THR N N 15 110.264 0.050 . 1 . . . . 94 THR N . 7106 1 1190 . 1 1 95 95 GLN H H 1 7.635 0.010 . 1 . . . . 95 GLN H . 7106 1 1191 . 1 1 95 95 GLN HA H 1 4.649 0.010 . 1 . . . . 95 GLN HA . 7106 1 1192 . 1 1 95 95 GLN HB2 H 1 1.876 0.010 . 2 . . . . 95 GLN HB2 . 7106 1 1193 . 1 1 95 95 GLN HB3 H 1 1.962 0.010 . 2 . . . . 95 GLN HB3 . 7106 1 1194 . 1 1 95 95 GLN HG2 H 1 2.240 0.010 . 1 . . . . 95 GLN HG2 . 7106 1 1195 . 1 1 95 95 GLN HG3 H 1 2.240 0.010 . 1 . . . . 95 GLN HG3 . 7106 1 1196 . 1 1 95 95 GLN C C 13 171.561 0.100 . 1 . . . . 95 GLN C . 7106 1 1197 . 1 1 95 95 GLN CA C 13 52.696 0.100 . 1 . . . . 95 GLN CA . 7106 1 1198 . 1 1 95 95 GLN CB C 13 28.565 0.100 . 1 . . . . 95 GLN CB . 7106 1 1199 . 1 1 95 95 GLN CG C 13 32.861 0.100 . 1 . . . . 95 GLN CG . 7106 1 1200 . 1 1 95 95 GLN N N 15 120.443 0.050 . 1 . . . . 95 GLN N . 7106 1 1201 . 1 1 96 96 PRO HA H 1 4.377 0.010 . 1 . . . . 96 PRO HA . 7106 1 1202 . 1 1 96 96 PRO HB2 H 1 1.707 0.010 . 2 . . . . 96 PRO HB2 . 7106 1 1203 . 1 1 96 96 PRO HB3 H 1 1.846 0.010 . 2 . . . . 96 PRO HB3 . 7106 1 1204 . 1 1 96 96 PRO HG2 H 1 1.761 0.010 . 1 . . . . 96 PRO HG2 . 7106 1 1205 . 1 1 96 96 PRO HG3 H 1 1.761 0.010 . 1 . . . . 96 PRO HG3 . 7106 1 1206 . 1 1 96 96 PRO HD2 H 1 3.145 0.010 . 2 . . . . 96 PRO HD2 . 7106 1 1207 . 1 1 96 96 PRO HD3 H 1 3.408 0.010 . 2 . . . . 96 PRO HD3 . 7106 1 1208 . 1 1 96 96 PRO C C 13 175.961 0.100 . 1 . . . . 96 PRO C . 7106 1 1209 . 1 1 96 96 PRO CA C 13 62.403 0.100 . 1 . . . . 96 PRO CA . 7106 1 1210 . 1 1 96 96 PRO CB C 13 31.851 0.100 . 1 . . . . 96 PRO CB . 7106 1 1211 . 1 1 96 96 PRO CG C 13 26.442 0.100 . 1 . . . . 96 PRO CG . 7106 1 1212 . 1 1 96 96 PRO CD C 13 48.482 0.100 . 1 . . . . 96 PRO CD . 7106 1 1213 . 1 1 97 97 THR H H 1 8.881 0.010 . 1 . . . . 97 THR H . 7106 1 1214 . 1 1 97 97 THR HA H 1 4.653 0.010 . 1 . . . . 97 THR HA . 7106 1 1215 . 1 1 97 97 THR HB H 1 4.530 0.010 . 1 . . . . 97 THR HB . 7106 1 1216 . 1 1 97 97 THR HG21 H 1 1.156 0.010 . 1 . . . . 97 THR HG2 . 7106 1 1217 . 1 1 97 97 THR HG22 H 1 1.156 0.010 . 1 . . . . 97 THR HG2 . 7106 1 1218 . 1 1 97 97 THR HG23 H 1 1.156 0.010 . 1 . . . . 97 THR HG2 . 7106 1 1219 . 1 1 97 97 THR C C 13 175.181 0.100 . 1 . . . . 97 THR C . 7106 1 1220 . 1 1 97 97 THR CA C 13 58.699 0.100 . 1 . . . . 97 THR CA . 7106 1 1221 . 1 1 97 97 THR CB C 13 72.633 0.100 . 1 . . . . 97 THR CB . 7106 1 1222 . 1 1 97 97 THR CG2 C 13 19.984 0.100 . 1 . . . . 97 THR CG2 . 7106 1 1223 . 1 1 97 97 THR N N 15 109.568 0.050 . 1 . . . . 97 THR N . 7106 1 1224 . 1 1 98 98 LEU H H 1 8.566 0.010 . 1 . . . . 98 LEU H . 7106 1 1225 . 1 1 98 98 LEU HA H 1 3.973 0.010 . 1 . . . . 98 LEU HA . 7106 1 1226 . 1 1 98 98 LEU HB2 H 1 1.362 0.010 . 2 . . . . 98 LEU HB2 . 7106 1 1227 . 1 1 98 98 LEU HB3 H 1 1.175 0.010 . 2 . . . . 98 LEU HB3 . 7106 1 1228 . 1 1 98 98 LEU HG H 1 1.448 0.010 . 1 . . . . 98 LEU HG . 7106 1 1229 . 1 1 98 98 LEU HD11 H 1 0.732 0.010 . 2 . . . . 98 LEU HD1 . 7106 1 1230 . 1 1 98 98 LEU HD12 H 1 0.732 0.010 . 2 . . . . 98 LEU HD1 . 7106 1 1231 . 1 1 98 98 LEU HD13 H 1 0.732 0.010 . 2 . . . . 98 LEU HD1 . 7106 1 1232 . 1 1 98 98 LEU HD21 H 1 0.718 0.010 . 2 . . . . 98 LEU HD2 . 7106 1 1233 . 1 1 98 98 LEU HD22 H 1 0.718 0.010 . 2 . . . . 98 LEU HD2 . 7106 1 1234 . 1 1 98 98 LEU HD23 H 1 0.718 0.010 . 2 . . . . 98 LEU HD2 . 7106 1 1235 . 1 1 98 98 LEU C C 13 177.654 0.100 . 1 . . . . 98 LEU C . 7106 1 1236 . 1 1 98 98 LEU CA C 13 56.358 0.100 . 1 . . . . 98 LEU CA . 7106 1 1237 . 1 1 98 98 LEU CB C 13 41.227 0.100 . 1 . . . . 98 LEU CB . 7106 1 1238 . 1 1 98 98 LEU CG C 13 26.531 0.100 . 1 . . . . 98 LEU CG . 7106 1 1239 . 1 1 98 98 LEU CD1 C 13 24.581 0.100 . 2 . . . . 98 LEU CD1 . 7106 1 1240 . 1 1 98 98 LEU CD2 C 13 24.424 0.100 . 2 . . . . 98 LEU CD2 . 7106 1 1241 . 1 1 98 98 LEU N N 15 117.358 0.050 . 1 . . . . 98 LEU N . 7106 1 1242 . 1 1 99 99 HIS H H 1 8.086 0.010 . 1 . . . . 99 HIS H . 7106 1 1243 . 1 1 99 99 HIS HA H 1 4.883 0.010 . 1 . . . . 99 HIS HA . 7106 1 1244 . 1 1 99 99 HIS HB2 H 1 3.364 0.010 . 2 . . . . 99 HIS HB2 . 7106 1 1245 . 1 1 99 99 HIS HB3 H 1 2.782 0.010 . 2 . . . . 99 HIS HB3 . 7106 1 1246 . 1 1 99 99 HIS HD2 H 1 7.214 0.010 . 1 . . . . 99 HIS HD2 . 7106 1 1247 . 1 1 99 99 HIS HE1 H 1 8.431 0.010 . 1 . . . . 99 HIS HE1 . 7106 1 1248 . 1 1 99 99 HIS C C 13 176.876 0.100 . 1 . . . . 99 HIS C . 7106 1 1249 . 1 1 99 99 HIS CA C 13 54.633 0.100 . 1 . . . . 99 HIS CA . 7106 1 1250 . 1 1 99 99 HIS CB C 13 28.970 0.100 . 1 . . . . 99 HIS CB . 7106 1 1251 . 1 1 99 99 HIS CD2 C 13 119.648 0.100 . 1 . . . . 99 HIS CD2 . 7106 1 1252 . 1 1 99 99 HIS CE1 C 13 135.949 0.100 . 1 . . . . 99 HIS CE1 . 7106 1 1253 . 1 1 99 99 HIS N N 15 114.210 0.050 . 1 . . . . 99 HIS N . 7106 1 1254 . 1 1 100 100 SER H H 1 8.038 0.010 . 1 . . . . 100 SER H . 7106 1 1255 . 1 1 100 100 SER HA H 1 3.881 0.010 . 1 . . . . 100 SER HA . 7106 1 1256 . 1 1 100 100 SER HB2 H 1 3.128 0.010 . 1 . . . . 100 SER HB2 . 7106 1 1257 . 1 1 100 100 SER HB3 H 1 3.128 0.010 . 1 . . . . 100 SER HB3 . 7106 1 1258 . 1 1 100 100 SER C C 13 173.868 0.100 . 1 . . . . 100 SER C . 7106 1 1259 . 1 1 100 100 SER CA C 13 63.561 0.100 . 1 . . . . 100 SER CA . 7106 1 1260 . 1 1 100 100 SER N N 15 119.019 0.050 . 1 . . . . 100 SER N . 7106 1 1261 . 1 1 101 101 PHE H H 1 8.834 0.010 . 1 . . . . 101 PHE H . 7106 1 1262 . 1 1 101 101 PHE HA H 1 4.665 0.010 . 1 . . . . 101 PHE HA . 7106 1 1263 . 1 1 101 101 PHE HB2 H 1 2.615 0.010 . 2 . . . . 101 PHE HB2 . 7106 1 1264 . 1 1 101 101 PHE HB3 H 1 3.512 0.010 . 2 . . . . 101 PHE HB3 . 7106 1 1265 . 1 1 101 101 PHE HD1 H 1 6.718 0.010 . 1 . . . . 101 PHE HD . 7106 1 1266 . 1 1 101 101 PHE HD2 H 1 6.718 0.010 . 1 . . . . 101 PHE HD . 7106 1 1267 . 1 1 101 101 PHE HE1 H 1 6.422 0.010 . 1 . . . . 101 PHE HE . 7106 1 1268 . 1 1 101 101 PHE HE2 H 1 6.422 0.010 . 1 . . . . 101 PHE HE . 7106 1 1269 . 1 1 101 101 PHE HZ H 1 7.168 0.010 . 1 . . . . 101 PHE HZ . 7106 1 1270 . 1 1 101 101 PHE C C 13 174.975 0.100 . 1 . . . . 101 PHE C . 7106 1 1271 . 1 1 101 101 PHE CA C 13 56.985 0.100 . 1 . . . . 101 PHE CA . 7106 1 1272 . 1 1 101 101 PHE CB C 13 39.098 0.100 . 1 . . . . 101 PHE CB . 7106 1 1273 . 1 1 101 101 PHE CD1 C 13 130.746 0.100 . 1 . . . . 101 PHE CD . 7106 1 1274 . 1 1 101 101 PHE CD2 C 13 130.746 0.100 . 1 . . . . 101 PHE CD . 7106 1 1275 . 1 1 101 101 PHE CE1 C 13 129.608 0.100 . 1 . . . . 101 PHE CE . 7106 1 1276 . 1 1 101 101 PHE CE2 C 13 129.608 0.100 . 1 . . . . 101 PHE CE . 7106 1 1277 . 1 1 101 101 PHE CZ C 13 127.700 0.100 . 1 . . . . 101 PHE CZ . 7106 1 1278 . 1 1 101 101 PHE N N 15 115.676 0.050 . 1 . . . . 101 PHE N . 7106 1 1279 . 1 1 102 102 ASP H H 1 7.479 0.010 . 1 . . . . 102 ASP H . 7106 1 1280 . 1 1 102 102 ASP HA H 1 4.269 0.010 . 1 . . . . 102 ASP HA . 7106 1 1281 . 1 1 102 102 ASP HB2 H 1 2.786 0.010 . 1 . . . . 102 ASP HB2 . 7106 1 1282 . 1 1 102 102 ASP HB3 H 1 2.786 0.010 . 1 . . . . 102 ASP HB3 . 7106 1 1283 . 1 1 102 102 ASP C C 13 178.232 0.100 . 1 . . . . 102 ASP C . 7106 1 1284 . 1 1 102 102 ASP CA C 13 57.989 0.100 . 1 . . . . 102 ASP CA . 7106 1 1285 . 1 1 102 102 ASP CB C 13 39.007 0.100 . 1 . . . . 102 ASP CB . 7106 1 1286 . 1 1 102 102 ASP N N 15 121.665 0.050 . 1 . . . . 102 ASP N . 7106 1 1287 . 1 1 103 103 ALA H H 1 8.607 0.010 . 1 . . . . 103 ALA H . 7106 1 1288 . 1 1 103 103 ALA HA H 1 4.245 0.010 . 1 . . . . 103 ALA HA . 7106 1 1289 . 1 1 103 103 ALA HB1 H 1 1.491 0.010 . 1 . . . . 103 ALA HB . 7106 1 1290 . 1 1 103 103 ALA HB2 H 1 1.491 0.010 . 1 . . . . 103 ALA HB . 7106 1 1291 . 1 1 103 103 ALA HB3 H 1 1.491 0.010 . 1 . . . . 103 ALA HB . 7106 1 1292 . 1 1 103 103 ALA C C 13 180.853 0.100 . 1 . . . . 103 ALA C . 7106 1 1293 . 1 1 103 103 ALA CA C 13 54.759 0.100 . 1 . . . . 103 ALA CA . 7106 1 1294 . 1 1 103 103 ALA CB C 13 17.314 0.100 . 1 . . . . 103 ALA CB . 7106 1 1295 . 1 1 103 103 ALA N N 15 122.983 0.050 . 1 . . . . 103 ALA N . 7106 1 1296 . 1 1 104 104 ALA H H 1 8.309 0.010 . 1 . . . . 104 ALA H . 7106 1 1297 . 1 1 104 104 ALA HA H 1 4.089 0.010 . 1 . . . . 104 ALA HA . 7106 1 1298 . 1 1 104 104 ALA HB1 H 1 1.603 0.010 . 1 . . . . 104 ALA HB . 7106 1 1299 . 1 1 104 104 ALA HB2 H 1 1.603 0.010 . 1 . . . . 104 ALA HB . 7106 1 1300 . 1 1 104 104 ALA HB3 H 1 1.603 0.010 . 1 . . . . 104 ALA HB . 7106 1 1301 . 1 1 104 104 ALA C C 13 178.376 0.100 . 1 . . . . 104 ALA C . 7106 1 1302 . 1 1 104 104 ALA CA C 13 54.342 0.100 . 1 . . . . 104 ALA CA . 7106 1 1303 . 1 1 104 104 ALA CB C 13 19.348 0.100 . 1 . . . . 104 ALA CB . 7106 1 1304 . 1 1 104 104 ALA N N 15 121.777 0.050 . 1 . . . . 104 ALA N . 7106 1 1305 . 1 1 105 105 GLN H H 1 9.461 0.010 . 1 . . . . 105 GLN H . 7106 1 1306 . 1 1 105 105 GLN HA H 1 3.879 0.010 . 1 . . . . 105 GLN HA . 7106 1 1307 . 1 1 105 105 GLN HB2 H 1 2.029 0.010 . 2 . . . . 105 GLN HB2 . 7106 1 1308 . 1 1 105 105 GLN HB3 H 1 2.185 0.010 . 2 . . . . 105 GLN HB3 . 7106 1 1309 . 1 1 105 105 GLN HG2 H 1 2.475 0.010 . 1 . . . . 105 GLN HG2 . 7106 1 1310 . 1 1 105 105 GLN HG3 H 1 2.475 0.010 . 1 . . . . 105 GLN HG3 . 7106 1 1311 . 1 1 105 105 GLN C C 13 178.145 0.100 . 1 . . . . 105 GLN C . 7106 1 1312 . 1 1 105 105 GLN CA C 13 59.629 0.100 . 1 . . . . 105 GLN CA . 7106 1 1313 . 1 1 105 105 GLN CB C 13 26.951 0.100 . 1 . . . . 105 GLN CB . 7106 1 1314 . 1 1 105 105 GLN CG C 13 34.603 0.100 . 1 . . . . 105 GLN CG . 7106 1 1315 . 1 1 105 105 GLN N N 15 119.328 0.050 . 1 . . . . 105 GLN N . 7106 1 1316 . 1 1 106 106 SER H H 1 8.314 0.010 . 1 . . . . 106 SER H . 7106 1 1317 . 1 1 106 106 SER HA H 1 4.390 0.010 . 1 . . . . 106 SER HA . 7106 1 1318 . 1 1 106 106 SER HB2 H 1 4.006 0.010 . 1 . . . . 106 SER HB2 . 7106 1 1319 . 1 1 106 106 SER HB3 H 1 4.006 0.010 . 1 . . . . 106 SER HB3 . 7106 1 1320 . 1 1 106 106 SER C C 13 176.710 0.100 . 1 . . . . 106 SER C . 7106 1 1321 . 1 1 106 106 SER CB C 13 62.172 0.100 . 1 . . . . 106 SER CB . 7106 1 1322 . 1 1 106 106 SER N N 15 113.923 0.050 . 1 . . . . 106 SER N . 7106 1 1323 . 1 1 107 107 ARG H H 1 7.835 0.010 . 1 . . . . 107 ARG H . 7106 1 1324 . 1 1 107 107 ARG HA H 1 4.278 0.010 . 1 . . . . 107 ARG HA . 7106 1 1325 . 1 1 107 107 ARG HB2 H 1 2.124 0.010 . 1 . . . . 107 ARG HB2 . 7106 1 1326 . 1 1 107 107 ARG HB3 H 1 2.124 0.010 . 1 . . . . 107 ARG HB3 . 7106 1 1327 . 1 1 107 107 ARG HG2 H 1 1.803 0.010 . 1 . . . . 107 ARG HG2 . 7106 1 1328 . 1 1 107 107 ARG HG3 H 1 1.803 0.010 . 1 . . . . 107 ARG HG3 . 7106 1 1329 . 1 1 107 107 ARG HD2 H 1 3.442 0.010 . 2 . . . . 107 ARG HD2 . 7106 1 1330 . 1 1 107 107 ARG HD3 H 1 3.237 0.010 . 2 . . . . 107 ARG HD3 . 7106 1 1331 . 1 1 107 107 ARG HE H 1 8.197 0.010 . 1 . . . . 107 ARG HE . 7106 1 1332 . 1 1 107 107 ARG C C 13 178.657 0.100 . 1 . . . . 107 ARG C . 7106 1 1333 . 1 1 107 107 ARG CA C 13 58.169 0.100 . 1 . . . . 107 ARG CA . 7106 1 1334 . 1 1 107 107 ARG CB C 13 28.755 0.100 . 1 . . . . 107 ARG CB . 7106 1 1335 . 1 1 107 107 ARG CG C 13 26.901 0.100 . 1 . . . . 107 ARG CG . 7106 1 1336 . 1 1 107 107 ARG CD C 13 42.329 0.100 . 1 . . . . 107 ARG CD . 7106 1 1337 . 1 1 107 107 ARG N N 15 122.017 0.050 . 1 . . . . 107 ARG N . 7106 1 1338 . 1 1 107 107 ARG NE N 15 83.792 0.050 . 1 . . . . 107 ARG NE . 7106 1 1339 . 1 1 108 108 VAL H H 1 8.318 0.010 . 1 . . . . 108 VAL H . 7106 1 1340 . 1 1 108 108 VAL HA H 1 3.936 0.010 . 1 . . . . 108 VAL HA . 7106 1 1341 . 1 1 108 108 VAL HB H 1 2.394 0.010 . 1 . . . . 108 VAL HB . 7106 1 1342 . 1 1 108 108 VAL HG11 H 1 1.403 0.010 . 2 . . . . 108 VAL HG1 . 7106 1 1343 . 1 1 108 108 VAL HG12 H 1 1.403 0.010 . 2 . . . . 108 VAL HG1 . 7106 1 1344 . 1 1 108 108 VAL HG13 H 1 1.403 0.010 . 2 . . . . 108 VAL HG1 . 7106 1 1345 . 1 1 108 108 VAL HG21 H 1 1.256 0.010 . 2 . . . . 108 VAL HG2 . 7106 1 1346 . 1 1 108 108 VAL HG22 H 1 1.256 0.010 . 2 . . . . 108 VAL HG2 . 7106 1 1347 . 1 1 108 108 VAL HG23 H 1 1.256 0.010 . 2 . . . . 108 VAL HG2 . 7106 1 1348 . 1 1 108 108 VAL C C 13 177.409 0.100 . 1 . . . . 108 VAL C . 7106 1 1349 . 1 1 108 108 VAL CA C 13 66.168 0.100 . 1 . . . . 108 VAL CA . 7106 1 1350 . 1 1 108 108 VAL CB C 13 31.418 0.100 . 1 . . . . 108 VAL CB . 7106 1 1351 . 1 1 108 108 VAL CG1 C 13 21.962 0.100 . 2 . . . . 108 VAL CG1 . 7106 1 1352 . 1 1 108 108 VAL CG2 C 13 22.912 0.100 . 2 . . . . 108 VAL CG2 . 7106 1 1353 . 1 1 108 108 VAL N N 15 118.973 0.050 . 1 . . . . 108 VAL N . 7106 1 1354 . 1 1 109 109 TYR H H 1 8.967 0.010 . 1 . . . . 109 TYR H . 7106 1 1355 . 1 1 109 109 TYR HA H 1 3.891 0.010 . 1 . . . . 109 TYR HA . 7106 1 1356 . 1 1 109 109 TYR HB2 H 1 3.497 0.010 . 2 . . . . 109 TYR HB2 . 7106 1 1357 . 1 1 109 109 TYR HB3 H 1 3.194 0.010 . 2 . . . . 109 TYR HB3 . 7106 1 1358 . 1 1 109 109 TYR HD1 H 1 6.670 0.010 . 1 . . . . 109 TYR HD . 7106 1 1359 . 1 1 109 109 TYR HD2 H 1 6.670 0.010 . 1 . . . . 109 TYR HD . 7106 1 1360 . 1 1 109 109 TYR HE1 H 1 6.392 0.010 . 1 . . . . 109 TYR HE . 7106 1 1361 . 1 1 109 109 TYR HE2 H 1 6.392 0.010 . 1 . . . . 109 TYR HE . 7106 1 1362 . 1 1 109 109 TYR C C 13 176.567 0.100 . 1 . . . . 109 TYR C . 7106 1 1363 . 1 1 109 109 TYR CA C 13 62.542 0.100 . 1 . . . . 109 TYR CA . 7106 1 1364 . 1 1 109 109 TYR CB C 13 38.196 0.100 . 1 . . . . 109 TYR CB . 7106 1 1365 . 1 1 109 109 TYR CD1 C 13 132.447 0.100 . 1 . . . . 109 TYR CD . 7106 1 1366 . 1 1 109 109 TYR CD2 C 13 132.447 0.100 . 1 . . . . 109 TYR CD . 7106 1 1367 . 1 1 109 109 TYR CE1 C 13 118.103 0.100 . 1 . . . . 109 TYR CE . 7106 1 1368 . 1 1 109 109 TYR CE2 C 13 118.103 0.100 . 1 . . . . 109 TYR CE . 7106 1 1369 . 1 1 109 109 TYR N N 15 122.516 0.050 . 1 . . . . 109 TYR N . 7106 1 1370 . 1 1 110 110 GLN H H 1 8.204 0.010 . 1 . . . . 110 GLN H . 7106 1 1371 . 1 1 110 110 GLN HA H 1 4.117 0.010 . 1 . . . . 110 GLN HA . 7106 1 1372 . 1 1 110 110 GLN HB2 H 1 2.275 0.010 . 1 . . . . 110 GLN HB2 . 7106 1 1373 . 1 1 110 110 GLN HB3 H 1 2.275 0.010 . 1 . . . . 110 GLN HB3 . 7106 1 1374 . 1 1 110 110 GLN HG2 H 1 2.489 0.010 . 2 . . . . 110 GLN HG2 . 7106 1 1375 . 1 1 110 110 GLN HG3 H 1 2.755 0.010 . 2 . . . . 110 GLN HG3 . 7106 1 1376 . 1 1 110 110 GLN C C 13 178.315 0.100 . 1 . . . . 110 GLN C . 7106 1 1377 . 1 1 110 110 GLN CA C 13 58.519 0.100 . 1 . . . . 110 GLN CA . 7106 1 1378 . 1 1 110 110 GLN CB C 13 28.182 0.100 . 1 . . . . 110 GLN CB . 7106 1 1379 . 1 1 110 110 GLN CG C 13 33.869 0.100 . 1 . . . . 110 GLN CG . 7106 1 1380 . 1 1 110 110 GLN N N 15 117.700 0.050 . 1 . . . . 110 GLN N . 7106 1 1381 . 1 1 111 111 LEU H H 1 8.126 0.010 . 1 . . . . 111 LEU H . 7106 1 1382 . 1 1 111 111 LEU HA H 1 4.122 0.010 . 1 . . . . 111 LEU HA . 7106 1 1383 . 1 1 111 111 LEU HB2 H 1 1.780 0.010 . 2 . . . . 111 LEU HB2 . 7106 1 1384 . 1 1 111 111 LEU HB3 H 1 1.928 0.010 . 2 . . . . 111 LEU HB3 . 7106 1 1385 . 1 1 111 111 LEU HG H 1 1.851 0.010 . 1 . . . . 111 LEU HG . 7106 1 1386 . 1 1 111 111 LEU HD11 H 1 0.961 0.010 . 1 . . . . 111 LEU HD1 . 7106 1 1387 . 1 1 111 111 LEU HD12 H 1 0.961 0.010 . 1 . . . . 111 LEU HD1 . 7106 1 1388 . 1 1 111 111 LEU HD13 H 1 0.961 0.010 . 1 . . . . 111 LEU HD1 . 7106 1 1389 . 1 1 111 111 LEU HD21 H 1 0.961 0.010 . 1 . . . . 111 LEU HD2 . 7106 1 1390 . 1 1 111 111 LEU HD22 H 1 0.961 0.010 . 1 . . . . 111 LEU HD2 . 7106 1 1391 . 1 1 111 111 LEU HD23 H 1 0.961 0.010 . 1 . . . . 111 LEU HD2 . 7106 1 1392 . 1 1 111 111 LEU C C 13 180.053 0.100 . 1 . . . . 111 LEU C . 7106 1 1393 . 1 1 111 111 LEU CA C 13 57.451 0.100 . 1 . . . . 111 LEU CA . 7106 1 1394 . 1 1 111 111 LEU CB C 13 41.402 0.100 . 1 . . . . 111 LEU CB . 7106 1 1395 . 1 1 111 111 LEU CG C 13 26.725 0.100 . 1 . . . . 111 LEU CG . 7106 1 1396 . 1 1 111 111 LEU CD1 C 13 24.488 0.100 . 2 . . . . 111 LEU CD1 . 7106 1 1397 . 1 1 111 111 LEU CD2 C 13 23.584 0.100 . 2 . . . . 111 LEU CD2 . 7106 1 1398 . 1 1 111 111 LEU N N 15 119.971 0.050 . 1 . . . . 111 LEU N . 7106 1 1399 . 1 1 112 112 MET H H 1 8.152 0.010 . 1 . . . . 112 MET H . 7106 1 1400 . 1 1 112 112 MET HA H 1 4.188 0.010 . 1 . . . . 112 MET HA . 7106 1 1401 . 1 1 112 112 MET HB2 H 1 2.463 0.010 . 2 . . . . 112 MET HB2 . 7106 1 1402 . 1 1 112 112 MET HB3 H 1 1.905 0.010 . 2 . . . . 112 MET HB3 . 7106 1 1403 . 1 1 112 112 MET HG2 H 1 3.059 0.010 . 1 . . . . 112 MET HG2 . 7106 1 1404 . 1 1 112 112 MET HG3 H 1 3.059 0.010 . 1 . . . . 112 MET HG3 . 7106 1 1405 . 1 1 112 112 MET HE1 H 1 1.878 0.010 . 1 . . . . 112 MET HE . 7106 1 1406 . 1 1 112 112 MET HE2 H 1 1.878 0.010 . 1 . . . . 112 MET HE . 7106 1 1407 . 1 1 112 112 MET HE3 H 1 1.878 0.010 . 1 . . . . 112 MET HE . 7106 1 1408 . 1 1 112 112 MET C C 13 177.482 0.100 . 1 . . . . 112 MET C . 7106 1 1409 . 1 1 112 112 MET CA C 13 58.965 0.100 . 1 . . . . 112 MET CA . 7106 1 1410 . 1 1 112 112 MET CB C 13 34.744 0.100 . 1 . . . . 112 MET CB . 7106 1 1411 . 1 1 112 112 MET CG C 13 31.183 0.100 . 1 . . . . 112 MET CG . 7106 1 1412 . 1 1 112 112 MET CE C 13 15.156 0.100 . 1 . . . . 112 MET CE . 7106 1 1413 . 1 1 112 112 MET N N 15 117.274 0.050 . 1 . . . . 112 MET N . 7106 1 1414 . 1 1 113 113 GLU H H 1 8.521 0.010 . 1 . . . . 113 GLU H . 7106 1 1415 . 1 1 113 113 GLU HA H 1 4.209 0.010 . 1 . . . . 113 GLU HA . 7106 1 1416 . 1 1 113 113 GLU HB2 H 1 1.931 0.010 . 1 . . . . 113 GLU HB2 . 7106 1 1417 . 1 1 113 113 GLU HB3 H 1 1.931 0.010 . 1 . . . . 113 GLU HB3 . 7106 1 1418 . 1 1 113 113 GLU HG2 H 1 1.699 0.010 . 1 . . . . 113 GLU HG2 . 7106 1 1419 . 1 1 113 113 GLU HG3 H 1 1.699 0.010 . 1 . . . . 113 GLU HG3 . 7106 1 1420 . 1 1 113 113 GLU C C 13 177.285 0.100 . 1 . . . . 113 GLU C . 7106 1 1421 . 1 1 113 113 GLU CA C 13 58.769 0.100 . 1 . . . . 113 GLU CA . 7106 1 1422 . 1 1 113 113 GLU CB C 13 29.048 0.100 . 1 . . . . 113 GLU CB . 7106 1 1423 . 1 1 113 113 GLU CG C 13 35.580 0.100 . 1 . . . . 113 GLU CG . 7106 1 1424 . 1 1 113 113 GLU N N 15 120.838 0.050 . 1 . . . . 113 GLU N . 7106 1 1425 . 1 1 114 114 GLN H H 1 7.678 0.010 . 1 . . . . 114 GLN H . 7106 1 1426 . 1 1 114 114 GLN HA H 1 4.129 0.010 . 1 . . . . 114 GLN HA . 7106 1 1427 . 1 1 114 114 GLN HB2 H 1 2.104 0.010 . 1 . . . . 114 GLN HB2 . 7106 1 1428 . 1 1 114 114 GLN HB3 H 1 2.104 0.010 . 1 . . . . 114 GLN HB3 . 7106 1 1429 . 1 1 114 114 GLN HG2 H 1 2.491 0.010 . 1 . . . . 114 GLN HG2 . 7106 1 1430 . 1 1 114 114 GLN HG3 H 1 2.491 0.010 . 1 . . . . 114 GLN HG3 . 7106 1 1431 . 1 1 114 114 GLN C C 13 176.370 0.100 . 1 . . . . 114 GLN C . 7106 1 1432 . 1 1 114 114 GLN CA C 13 56.192 0.100 . 1 . . . . 114 GLN CA . 7106 1 1433 . 1 1 114 114 GLN CB C 13 28.684 0.100 . 1 . . . . 114 GLN CB . 7106 1 1434 . 1 1 114 114 GLN CG C 13 33.375 0.100 . 1 . . . . 114 GLN CG . 7106 1 1435 . 1 1 114 114 GLN N N 15 112.319 0.050 . 1 . . . . 114 GLN N . 7106 1 1436 . 1 1 115 115 ASP H H 1 7.779 0.010 . 1 . . . . 115 ASP H . 7106 1 1437 . 1 1 115 115 ASP HA H 1 4.921 0.010 . 1 . . . . 115 ASP HA . 7106 1 1438 . 1 1 115 115 ASP HB2 H 1 2.833 0.010 . 1 . . . . 115 ASP HB2 . 7106 1 1439 . 1 1 115 115 ASP HB3 H 1 2.833 0.010 . 1 . . . . 115 ASP HB3 . 7106 1 1440 . 1 1 115 115 ASP C C 13 176.048 0.100 . 1 . . . . 115 ASP C . 7106 1 1441 . 1 1 115 115 ASP CA C 13 55.091 0.100 . 1 . . . . 115 ASP CA . 7106 1 1442 . 1 1 115 115 ASP CB C 13 42.117 0.100 . 1 . . . . 115 ASP CB . 7106 1 1443 . 1 1 115 115 ASP N N 15 117.285 0.050 . 1 . . . . 115 ASP N . 7106 1 1444 . 1 1 116 116 SER H H 1 7.906 0.010 . 1 . . . . 116 SER H . 7106 1 1445 . 1 1 116 116 SER HA H 1 4.307 0.010 . 1 . . . . 116 SER HA . 7106 1 1446 . 1 1 116 116 SER HB2 H 1 4.056 0.010 . 1 . . . . 116 SER HB2 . 7106 1 1447 . 1 1 116 116 SER HB3 H 1 4.056 0.010 . 1 . . . . 116 SER HB3 . 7106 1 1448 . 1 1 116 116 SER C C 13 175.914 0.100 . 1 . . . . 116 SER C . 7106 1 1449 . 1 1 116 116 SER CA C 13 61.511 0.100 . 1 . . . . 116 SER CA . 7106 1 1450 . 1 1 116 116 SER CB C 13 62.855 0.100 . 1 . . . . 116 SER CB . 7106 1 1451 . 1 1 116 116 SER N N 15 115.509 0.050 . 1 . . . . 116 SER N . 7106 1 1452 . 1 1 117 117 TYR H H 1 8.695 0.010 . 1 . . . . 117 TYR H . 7106 1 1453 . 1 1 117 117 TYR HA H 1 4.163 0.010 . 1 . . . . 117 TYR HA . 7106 1 1454 . 1 1 117 117 TYR HB2 H 1 2.038 0.010 . 2 . . . . 117 TYR HB2 . 7106 1 1455 . 1 1 117 117 TYR HB3 H 1 2.615 0.010 . 2 . . . . 117 TYR HB3 . 7106 1 1456 . 1 1 117 117 TYR HD1 H 1 6.754 0.010 . 1 . . . . 117 TYR HD . 7106 1 1457 . 1 1 117 117 TYR HD2 H 1 6.754 0.010 . 1 . . . . 117 TYR HD . 7106 1 1458 . 1 1 117 117 TYR HE1 H 1 6.646 0.010 . 1 . . . . 117 TYR HE . 7106 1 1459 . 1 1 117 117 TYR HE2 H 1 6.646 0.010 . 1 . . . . 117 TYR HE . 7106 1 1460 . 1 1 117 117 TYR C C 13 175.443 0.100 . 1 . . . . 117 TYR C . 7106 1 1461 . 1 1 117 117 TYR CA C 13 59.656 0.100 . 1 . . . . 117 TYR CA . 7106 1 1462 . 1 1 117 117 TYR CB C 13 36.927 0.100 . 1 . . . . 117 TYR CB . 7106 1 1463 . 1 1 117 117 TYR CD1 C 13 131.224 0.100 . 1 . . . . 117 TYR CD . 7106 1 1464 . 1 1 117 117 TYR CD2 C 13 131.224 0.100 . 1 . . . . 117 TYR CD . 7106 1 1465 . 1 1 117 117 TYR CE1 C 13 116.489 0.100 . 1 . . . . 117 TYR CE . 7106 1 1466 . 1 1 117 117 TYR CE2 C 13 116.489 0.100 . 1 . . . . 117 TYR CE . 7106 1 1467 . 1 1 117 117 TYR N N 15 122.338 0.050 . 1 . . . . 117 TYR N . 7106 1 1468 . 1 1 118 118 THR H H 1 7.033 0.010 . 1 . . . . 118 THR H . 7106 1 1469 . 1 1 118 118 THR HA H 1 4.029 0.010 . 1 . . . . 118 THR HA . 7106 1 1470 . 1 1 118 118 THR HB H 1 3.364 0.010 . 1 . . . . 118 THR HB . 7106 1 1471 . 1 1 118 118 THR HG21 H 1 1.124 0.010 . 1 . . . . 118 THR HG2 . 7106 1 1472 . 1 1 118 118 THR HG22 H 1 1.124 0.010 . 1 . . . . 118 THR HG2 . 7106 1 1473 . 1 1 118 118 THR HG23 H 1 1.124 0.010 . 1 . . . . 118 THR HG2 . 7106 1 1474 . 1 1 118 118 THR C C 13 177.234 0.100 . 1 . . . . 118 THR C . 7106 1 1475 . 1 1 118 118 THR CA C 13 64.666 0.100 . 1 . . . . 118 THR CA . 7106 1 1476 . 1 1 118 118 THR CB C 13 67.536 0.100 . 1 . . . . 118 THR CB . 7106 1 1477 . 1 1 118 118 THR CG2 C 13 21.495 0.100 . 1 . . . . 118 THR CG2 . 7106 1 1478 . 1 1 118 118 THR N N 15 109.169 0.050 . 1 . . . . 118 THR N . 7106 1 1479 . 1 1 119 119 ARG H H 1 7.243 0.010 . 1 . . . . 119 ARG H . 7106 1 1480 . 1 1 119 119 ARG HA H 1 3.916 0.010 . 1 . . . . 119 ARG HA . 7106 1 1481 . 1 1 119 119 ARG HB2 H 1 1.971 0.010 . 1 . . . . 119 ARG HB2 . 7106 1 1482 . 1 1 119 119 ARG HB3 H 1 1.971 0.010 . 1 . . . . 119 ARG HB3 . 7106 1 1483 . 1 1 119 119 ARG HD2 H 1 3.303 0.010 . 1 . . . . 119 ARG HD2 . 7106 1 1484 . 1 1 119 119 ARG HD3 H 1 3.303 0.010 . 1 . . . . 119 ARG HD3 . 7106 1 1485 . 1 1 119 119 ARG C C 13 179.368 0.100 . 1 . . . . 119 ARG C . 7106 1 1486 . 1 1 119 119 ARG CA C 13 59.190 0.100 . 1 . . . . 119 ARG CA . 7106 1 1487 . 1 1 119 119 ARG CB C 13 29.699 0.100 . 1 . . . . 119 ARG CB . 7106 1 1488 . 1 1 119 119 ARG N N 15 119.491 0.050 . 1 . . . . 119 ARG N . 7106 1 1489 . 1 1 120 120 PHE H H 1 8.583 0.010 . 1 . . . . 120 PHE H . 7106 1 1490 . 1 1 120 120 PHE HA H 1 2.651 0.010 . 1 . . . . 120 PHE HA . 7106 1 1491 . 1 1 120 120 PHE HB2 H 1 2.890 0.010 . 2 . . . . 120 PHE HB2 . 7106 1 1492 . 1 1 120 120 PHE HB3 H 1 3.261 0.010 . 2 . . . . 120 PHE HB3 . 7106 1 1493 . 1 1 120 120 PHE HE1 H 1 7.129 0.010 . 1 . . . . 120 PHE HE . 7106 1 1494 . 1 1 120 120 PHE HE2 H 1 7.129 0.010 . 1 . . . . 120 PHE HE . 7106 1 1495 . 1 1 120 120 PHE HZ H 1 7.241 0.010 . 1 . . . . 120 PHE HZ . 7106 1 1496 . 1 1 120 120 PHE C C 13 177.781 0.100 . 1 . . . . 120 PHE C . 7106 1 1497 . 1 1 120 120 PHE CA C 13 59.883 0.100 . 1 . . . . 120 PHE CA . 7106 1 1498 . 1 1 120 120 PHE CB C 13 37.844 0.100 . 1 . . . . 120 PHE CB . 7106 1 1499 . 1 1 120 120 PHE CE1 C 13 130.834 0.100 . 1 . . . . 120 PHE CE . 7106 1 1500 . 1 1 120 120 PHE CE2 C 13 130.834 0.100 . 1 . . . . 120 PHE CE . 7106 1 1501 . 1 1 120 120 PHE CZ C 13 127.614 0.100 . 1 . . . . 120 PHE CZ . 7106 1 1502 . 1 1 120 120 PHE N N 15 124.487 0.050 . 1 . . . . 120 PHE N . 7106 1 1503 . 1 1 121 121 LEU H H 1 7.045 0.010 . 1 . . . . 121 LEU H . 7106 1 1504 . 1 1 121 121 LEU HA H 1 3.282 0.010 . 1 . . . . 121 LEU HA . 7106 1 1505 . 1 1 121 121 LEU HB2 H 1 1.415 0.010 . 2 . . . . 121 LEU HB2 . 7106 1 1506 . 1 1 121 121 LEU HB3 H 1 1.159 0.010 . 2 . . . . 121 LEU HB3 . 7106 1 1507 . 1 1 121 121 LEU HG H 1 1.238 0.010 . 1 . . . . 121 LEU HG . 7106 1 1508 . 1 1 121 121 LEU HD11 H 1 0.289 0.010 . 2 . . . . 121 LEU HD1 . 7106 1 1509 . 1 1 121 121 LEU HD12 H 1 0.289 0.010 . 2 . . . . 121 LEU HD1 . 7106 1 1510 . 1 1 121 121 LEU HD13 H 1 0.289 0.010 . 2 . . . . 121 LEU HD1 . 7106 1 1511 . 1 1 121 121 LEU HD21 H 1 0.015 0.010 . 2 . . . . 121 LEU HD2 . 7106 1 1512 . 1 1 121 121 LEU HD22 H 1 0.015 0.010 . 2 . . . . 121 LEU HD2 . 7106 1 1513 . 1 1 121 121 LEU HD23 H 1 0.015 0.010 . 2 . . . . 121 LEU HD2 . 7106 1 1514 . 1 1 121 121 LEU C C 13 175.806 0.100 . 1 . . . . 121 LEU C . 7106 1 1515 . 1 1 121 121 LEU CA C 13 55.295 0.100 . 1 . . . . 121 LEU CA . 7106 1 1516 . 1 1 121 121 LEU CB C 13 40.175 0.100 . 1 . . . . 121 LEU CB . 7106 1 1517 . 1 1 121 121 LEU CG C 13 25.018 0.100 . 1 . . . . 121 LEU CG . 7106 1 1518 . 1 1 121 121 LEU CD1 C 13 20.088 0.100 . 2 . . . . 121 LEU CD1 . 7106 1 1519 . 1 1 121 121 LEU CD2 C 13 24.629 0.100 . 2 . . . . 121 LEU CD2 . 7106 1 1520 . 1 1 121 121 LEU N N 15 117.338 0.050 . 1 . . . . 121 LEU N . 7106 1 1521 . 1 1 122 122 LYS H H 1 6.760 0.010 . 1 . . . . 122 LYS H . 7106 1 1522 . 1 1 122 122 LYS HA H 1 4.386 0.010 . 1 . . . . 122 LYS HA . 7106 1 1523 . 1 1 122 122 LYS HB2 H 1 1.579 0.010 . 2 . . . . 122 LYS HB2 . 7106 1 1524 . 1 1 122 122 LYS HB3 H 1 1.872 0.010 . 2 . . . . 122 LYS HB3 . 7106 1 1525 . 1 1 122 122 LYS HD2 H 1 1.553 0.010 . 1 . . . . 122 LYS HD2 . 7106 1 1526 . 1 1 122 122 LYS HD3 H 1 1.553 0.010 . 1 . . . . 122 LYS HD3 . 7106 1 1527 . 1 1 122 122 LYS HE2 H 1 2.873 0.010 . 1 . . . . 122 LYS HE2 . 7106 1 1528 . 1 1 122 122 LYS HE3 H 1 2.873 0.010 . 1 . . . . 122 LYS HE3 . 7106 1 1529 . 1 1 122 122 LYS C C 13 175.770 0.100 . 1 . . . . 122 LYS C . 7106 1 1530 . 1 1 122 122 LYS CA C 13 53.968 0.100 . 1 . . . . 122 LYS CA . 7106 1 1531 . 1 1 122 122 LYS CB C 13 32.456 0.100 . 1 . . . . 122 LYS CB . 7106 1 1532 . 1 1 122 122 LYS CG C 13 24.262 0.100 . 1 . . . . 122 LYS CG . 7106 1 1533 . 1 1 122 122 LYS CD C 13 28.355 0.100 . 1 . . . . 122 LYS CD . 7106 1 1534 . 1 1 122 122 LYS CE C 13 41.414 0.100 . 1 . . . . 122 LYS CE . 7106 1 1535 . 1 1 122 122 LYS N N 15 114.654 0.050 . 1 . . . . 122 LYS N . 7106 1 1536 . 1 1 123 123 SER H H 1 7.581 0.010 . 1 . . . . 123 SER H . 7106 1 1537 . 1 1 123 123 SER HA H 1 4.344 0.010 . 1 . . . . 123 SER HA . 7106 1 1538 . 1 1 123 123 SER HB2 H 1 3.864 0.010 . 1 . . . . 123 SER HB2 . 7106 1 1539 . 1 1 123 123 SER HB3 H 1 3.864 0.010 . 1 . . . . 123 SER HB3 . 7106 1 1540 . 1 1 123 123 SER C C 13 173.940 0.100 . 1 . . . . 123 SER C . 7106 1 1541 . 1 1 123 123 SER CA C 13 57.820 0.100 . 1 . . . . 123 SER CA . 7106 1 1542 . 1 1 123 123 SER CB C 13 65.732 0.100 . 1 . . . . 123 SER CB . 7106 1 1543 . 1 1 123 123 SER N N 15 117.809 0.050 . 1 . . . . 123 SER N . 7106 1 1544 . 1 1 124 124 ASP H H 1 8.849 0.010 . 1 . . . . 124 ASP H . 7106 1 1545 . 1 1 124 124 ASP HA H 1 4.255 0.010 . 1 . . . . 124 ASP HA . 7106 1 1546 . 1 1 124 124 ASP HB2 H 1 2.637 0.010 . 1 . . . . 124 ASP HB2 . 7106 1 1547 . 1 1 124 124 ASP HB3 H 1 2.637 0.010 . 1 . . . . 124 ASP HB3 . 7106 1 1548 . 1 1 124 124 ASP C C 13 177.252 0.100 . 1 . . . . 124 ASP C . 7106 1 1549 . 1 1 124 124 ASP CA C 13 56.622 0.100 . 1 . . . . 124 ASP CA . 7106 1 1550 . 1 1 124 124 ASP CB C 13 39.157 0.100 . 1 . . . . 124 ASP CB . 7106 1 1551 . 1 1 124 124 ASP N N 15 121.982 0.050 . 1 . . . . 124 ASP N . 7106 1 1552 . 1 1 125 125 ILE H H 1 7.419 0.010 . 1 . . . . 125 ILE H . 7106 1 1553 . 1 1 125 125 ILE HA H 1 3.753 0.010 . 1 . . . . 125 ILE HA . 7106 1 1554 . 1 1 125 125 ILE HB H 1 1.817 0.010 . 1 . . . . 125 ILE HB . 7106 1 1555 . 1 1 125 125 ILE HG21 H 1 1.168 0.010 . 1 . . . . 125 ILE HG2 . 7106 1 1556 . 1 1 125 125 ILE HG22 H 1 1.168 0.010 . 1 . . . . 125 ILE HG2 . 7106 1 1557 . 1 1 125 125 ILE HG23 H 1 1.168 0.010 . 1 . . . . 125 ILE HG2 . 7106 1 1558 . 1 1 125 125 ILE C C 13 177.378 0.100 . 1 . . . . 125 ILE C . 7106 1 1559 . 1 1 125 125 ILE CA C 13 64.120 0.100 . 1 . . . . 125 ILE CA . 7106 1 1560 . 1 1 125 125 ILE CB C 13 38.319 0.100 . 1 . . . . 125 ILE CB . 7106 1 1561 . 1 1 125 125 ILE CG2 C 13 16.807 0.100 . 1 . . . . 125 ILE CG2 . 7106 1 1562 . 1 1 125 125 ILE N N 15 117.627 0.050 . 1 . . . . 125 ILE N . 7106 1 1563 . 1 1 126 126 TYR H H 1 7.118 0.010 . 1 . . . . 126 TYR H . 7106 1 1564 . 1 1 126 126 TYR HA H 1 4.069 0.010 . 1 . . . . 126 TYR HA . 7106 1 1565 . 1 1 126 126 TYR HB2 H 1 1.554 0.010 . 2 . . . . 126 TYR HB2 . 7106 1 1566 . 1 1 126 126 TYR HB3 H 1 2.327 0.010 . 2 . . . . 126 TYR HB3 . 7106 1 1567 . 1 1 126 126 TYR HD1 H 1 6.950 0.010 . 1 . . . . 126 TYR HD . 7106 1 1568 . 1 1 126 126 TYR HD2 H 1 6.950 0.010 . 1 . . . . 126 TYR HD . 7106 1 1569 . 1 1 126 126 TYR HE1 H 1 6.797 0.010 . 1 . . . . 126 TYR HE . 7106 1 1570 . 1 1 126 126 TYR HE2 H 1 6.797 0.010 . 1 . . . . 126 TYR HE . 7106 1 1571 . 1 1 126 126 TYR C C 13 176.863 0.100 . 1 . . . . 126 TYR C . 7106 1 1572 . 1 1 126 126 TYR CA C 13 59.790 0.100 . 1 . . . . 126 TYR CA . 7106 1 1573 . 1 1 126 126 TYR CB C 13 38.191 0.100 . 1 . . . . 126 TYR CB . 7106 1 1574 . 1 1 126 126 TYR CD1 C 13 132.342 0.100 . 1 . . . . 126 TYR CD . 7106 1 1575 . 1 1 126 126 TYR CD2 C 13 132.342 0.100 . 1 . . . . 126 TYR CD . 7106 1 1576 . 1 1 126 126 TYR CE1 C 13 117.018 0.100 . 1 . . . . 126 TYR CE . 7106 1 1577 . 1 1 126 126 TYR CE2 C 13 117.018 0.100 . 1 . . . . 126 TYR CE . 7106 1 1578 . 1 1 126 126 TYR N N 15 118.242 0.050 . 1 . . . . 126 TYR N . 7106 1 1579 . 1 1 127 127 LEU H H 1 8.403 0.010 . 1 . . . . 127 LEU H . 7106 1 1580 . 1 1 127 127 LEU HA H 1 3.498 0.010 . 1 . . . . 127 LEU HA . 7106 1 1581 . 1 1 127 127 LEU HB2 H 1 1.647 0.010 . 2 . . . . 127 LEU HB2 . 7106 1 1582 . 1 1 127 127 LEU HB3 H 1 1.303 0.010 . 2 . . . . 127 LEU HB3 . 7106 1 1583 . 1 1 127 127 LEU HG H 1 1.635 0.010 . 1 . . . . 127 LEU HG . 7106 1 1584 . 1 1 127 127 LEU HD11 H 1 0.726 0.010 . 1 . . . . 127 LEU HD1 . 7106 1 1585 . 1 1 127 127 LEU HD12 H 1 0.726 0.010 . 1 . . . . 127 LEU HD1 . 7106 1 1586 . 1 1 127 127 LEU HD13 H 1 0.726 0.010 . 1 . . . . 127 LEU HD1 . 7106 1 1587 . 1 1 127 127 LEU HD21 H 1 0.726 0.010 . 1 . . . . 127 LEU HD2 . 7106 1 1588 . 1 1 127 127 LEU HD22 H 1 0.726 0.010 . 1 . . . . 127 LEU HD2 . 7106 1 1589 . 1 1 127 127 LEU HD23 H 1 0.726 0.010 . 1 . . . . 127 LEU HD2 . 7106 1 1590 . 1 1 127 127 LEU C C 13 179.680 0.100 . 1 . . . . 127 LEU C . 7106 1 1591 . 1 1 127 127 LEU CA C 13 57.398 0.100 . 1 . . . . 127 LEU CA . 7106 1 1592 . 1 1 127 127 LEU CB C 13 40.114 0.100 . 1 . . . . 127 LEU CB . 7106 1 1593 . 1 1 127 127 LEU CG C 13 26.324 0.100 . 1 . . . . 127 LEU CG . 7106 1 1594 . 1 1 127 127 LEU CD1 C 13 24.525 0.100 . 2 . . . . 127 LEU CD1 . 7106 1 1595 . 1 1 127 127 LEU CD2 C 13 22.122 0.100 . 2 . . . . 127 LEU CD2 . 7106 1 1596 . 1 1 127 127 LEU N N 15 118.567 0.050 . 1 . . . . 127 LEU N . 7106 1 1597 . 1 1 128 128 ASP H H 1 8.467 0.010 . 1 . . . . 128 ASP H . 7106 1 1598 . 1 1 128 128 ASP HA H 1 4.195 0.010 . 1 . . . . 128 ASP HA . 7106 1 1599 . 1 1 128 128 ASP HB2 H 1 2.738 0.010 . 2 . . . . 128 ASP HB2 . 7106 1 1600 . 1 1 128 128 ASP HB3 H 1 2.509 0.010 . 2 . . . . 128 ASP HB3 . 7106 1 1601 . 1 1 128 128 ASP C C 13 178.564 0.100 . 1 . . . . 128 ASP C . 7106 1 1602 . 1 1 128 128 ASP CA C 13 56.758 0.100 . 1 . . . . 128 ASP CA . 7106 1 1603 . 1 1 128 128 ASP CB C 13 39.439 0.100 . 1 . . . . 128 ASP CB . 7106 1 1604 . 1 1 128 128 ASP N N 15 118.116 0.050 . 1 . . . . 128 ASP N . 7106 1 1605 . 1 1 129 129 LEU H H 1 7.072 0.010 . 1 . . . . 129 LEU H . 7106 1 1606 . 1 1 129 129 LEU HA H 1 4.039 0.010 . 1 . . . . 129 LEU HA . 7106 1 1607 . 1 1 129 129 LEU HB2 H 1 1.082 0.010 . 2 . . . . 129 LEU HB2 . 7106 1 1608 . 1 1 129 129 LEU HB3 H 1 1.665 0.010 . 2 . . . . 129 LEU HB3 . 7106 1 1609 . 1 1 129 129 LEU HG H 1 1.889 0.010 . 1 . . . . 129 LEU HG . 7106 1 1610 . 1 1 129 129 LEU HD11 H 1 1.089 0.010 . 2 . . . . 129 LEU HD1 . 7106 1 1611 . 1 1 129 129 LEU HD12 H 1 1.089 0.010 . 2 . . . . 129 LEU HD1 . 7106 1 1612 . 1 1 129 129 LEU HD13 H 1 1.089 0.010 . 2 . . . . 129 LEU HD1 . 7106 1 1613 . 1 1 129 129 LEU HD21 H 1 0.874 0.010 . 2 . . . . 129 LEU HD2 . 7106 1 1614 . 1 1 129 129 LEU HD22 H 1 0.874 0.010 . 2 . . . . 129 LEU HD2 . 7106 1 1615 . 1 1 129 129 LEU HD23 H 1 0.874 0.010 . 2 . . . . 129 LEU HD2 . 7106 1 1616 . 1 1 129 129 LEU C C 13 179.069 0.100 . 1 . . . . 129 LEU C . 7106 1 1617 . 1 1 129 129 LEU CA C 13 56.128 0.100 . 1 . . . . 129 LEU CA . 7106 1 1618 . 1 1 129 129 LEU CB C 13 41.290 0.100 . 1 . . . . 129 LEU CB . 7106 1 1619 . 1 1 129 129 LEU CG C 13 26.293 0.100 . 1 . . . . 129 LEU CG . 7106 1 1620 . 1 1 129 129 LEU CD1 C 13 26.172 0.100 . 2 . . . . 129 LEU CD1 . 7106 1 1621 . 1 1 129 129 LEU CD2 C 13 23.068 0.100 . 2 . . . . 129 LEU CD2 . 7106 1 1622 . 1 1 129 129 LEU N N 15 118.896 0.050 . 1 . . . . 129 LEU N . 7106 1 1623 . 1 1 130 130 MET H H 1 7.622 0.010 . 1 . . . . 130 MET H . 7106 1 1624 . 1 1 130 130 MET HA H 1 3.846 0.010 . 1 . . . . 130 MET HA . 7106 1 1625 . 1 1 130 130 MET HB2 H 1 1.643 0.010 . 1 . . . . 130 MET HB2 . 7106 1 1626 . 1 1 130 130 MET HB3 H 1 1.643 0.010 . 1 . . . . 130 MET HB3 . 7106 1 1627 . 1 1 130 130 MET HG2 H 1 1.955 0.010 . 2 . . . . 130 MET HG2 . 7106 1 1628 . 1 1 130 130 MET HG3 H 1 1.654 0.010 . 2 . . . . 130 MET HG3 . 7106 1 1629 . 1 1 130 130 MET HE1 H 1 1.685 0.010 . 1 . . . . 130 MET HE . 7106 1 1630 . 1 1 130 130 MET HE2 H 1 1.685 0.010 . 1 . . . . 130 MET HE . 7106 1 1631 . 1 1 130 130 MET HE3 H 1 1.685 0.010 . 1 . . . . 130 MET HE . 7106 1 1632 . 1 1 130 130 MET C C 13 176.789 0.100 . 1 . . . . 130 MET C . 7106 1 1633 . 1 1 130 130 MET CA C 13 55.957 0.100 . 1 . . . . 130 MET CA . 7106 1 1634 . 1 1 130 130 MET CB C 13 31.545 0.100 . 1 . . . . 130 MET CB . 7106 1 1635 . 1 1 130 130 MET CG C 13 31.242 0.100 . 1 . . . . 130 MET CG . 7106 1 1636 . 1 1 130 130 MET CE C 13 16.386 0.100 . 1 . . . . 130 MET CE . 7106 1 1637 . 1 1 130 130 MET N N 15 116.867 0.050 . 1 . . . . 130 MET N . 7106 1 1638 . 1 1 131 131 GLU H H 1 7.747 0.010 . 1 . . . . 131 GLU H . 7106 1 1639 . 1 1 131 131 GLU HA H 1 4.127 0.010 . 1 . . . . 131 GLU HA . 7106 1 1640 . 1 1 131 131 GLU HB2 H 1 1.935 0.010 . 2 . . . . 131 GLU HB2 . 7106 1 1641 . 1 1 131 131 GLU HB3 H 1 1.835 0.010 . 2 . . . . 131 GLU HB3 . 7106 1 1642 . 1 1 131 131 GLU HG2 H 1 2.223 0.010 . 2 . . . . 131 GLU HG2 . 7106 1 1643 . 1 1 131 131 GLU HG3 H 1 2.124 0.010 . 2 . . . . 131 GLU HG3 . 7106 1 1644 . 1 1 131 131 GLU C C 13 176.904 0.100 . 1 . . . . 131 GLU C . 7106 1 1645 . 1 1 131 131 GLU CA C 13 55.876 0.100 . 1 . . . . 131 GLU CA . 7106 1 1646 . 1 1 131 131 GLU CB C 13 29.377 0.100 . 1 . . . . 131 GLU CB . 7106 1 1647 . 1 1 131 131 GLU CG C 13 35.946 0.100 . 1 . . . . 131 GLU CG . 7106 1 1648 . 1 1 131 131 GLU N N 15 116.104 0.050 . 1 . . . . 131 GLU N . 7106 1 1649 . 1 1 132 132 GLY H H 1 7.726 0.010 . 1 . . . . 132 GLY H . 7106 1 1650 . 1 1 132 132 GLY HA2 H 1 3.821 0.010 . 1 . . . . 132 GLY HA2 . 7106 1 1651 . 1 1 132 132 GLY HA3 H 1 3.829 0.010 . 1 . . . . 132 GLY HA3 . 7106 1 1652 . 1 1 132 132 GLY C C 13 174.258 0.100 . 1 . . . . 132 GLY C . 7106 1 1653 . 1 1 132 132 GLY CA C 13 45.559 0.100 . 1 . . . . 132 GLY CA . 7106 1 1654 . 1 1 132 132 GLY N N 15 108.550 0.050 . 1 . . . . 132 GLY N . 7106 1 1655 . 1 1 133 133 ARG H H 1 8.106 0.010 . 1 . . . . 133 ARG H . 7106 1 1656 . 1 1 133 133 ARG C C 13 173.882 0.100 . 1 . . . . 133 ARG C . 7106 1 1657 . 1 1 133 133 ARG CA C 13 53.563 0.100 . 1 . . . . 133 ARG CA . 7106 1 1658 . 1 1 133 133 ARG CB C 13 29.461 0.100 . 1 . . . . 133 ARG CB . 7106 1 1659 . 1 1 133 133 ARG N N 15 120.453 0.050 . 1 . . . . 133 ARG N . 7106 1 stop_ save_