data_17582 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 17582 _Entry.Title ; 1H, 13C, and 15N assignments of cataract-related variant gamma-S-G18V crystallin ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2011-04-08 _Entry.Accession_date 2011-04-08 _Entry.Last_release_date 2011-05-12 _Entry.Original_release_date 2011-05-12 _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version 3.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype solution _Entry.Details . _Entry.BMRB_internal_directory_name . loop_ _Entry_author.Ordinal _Entry_author.Given_name _Entry_author.Family_name _Entry_author.First_initial _Entry_author.Middle_initials _Entry_author.Family_title _Entry_author.Entry_ID 1 William Brubaker . D. . 17582 2 Rachel Martin . W. . 17582 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 2 17582 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 718 17582 '15N chemical shifts' 191 17582 '1H chemical shifts' 1092 17582 stop_ loop_ _Release.Release_number _Release.Format_type _Release.Format_version _Release.Date _Release.Submission_date _Release.Type _Release.Author _Release.Detail _Release.Entry_ID 1 . . 2011-05-12 2011-04-08 original author . 17582 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID BMRB 17576 'wild-type human (gamma)S-crystallin' 17582 PDB 2M3U 'BMRB Entry Tracking System' 17582 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 17582 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 21244846 _Citation.Full_citation . _Citation.Title 'Separating instability from aggregation propensity in S-crystallin variants.' _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'Biophys. J.' _Citation.Journal_name_full 'Biophysical journal' _Citation.Journal_volume 100 _Citation.Journal_issue 2 _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 498 _Citation.Page_last 506 _Citation.Year 2011 _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 William Brubaker . D. . 17582 1 2 'J. Alfredo' Freites . . . 17582 1 3 Kory Golchert . J. . 17582 1 4 Rebecca Shapiro . A. . 17582 1 5 Vasilios Morikis . . . 17582 1 6 Douglas Tobias . J. . 17582 1 7 Rachel Martin . W. . 17582 1 stop_ loop_ _Citation_keyword.Keyword _Citation_keyword.Entry_ID _Citation_keyword.Citation_ID cataract 17582 1 crystallin 17582 1 'eye lens' 17582 1 'protein aggregation' 17582 1 'protein stability' 17582 1 stop_ save_ save_biophysical_characterization _Citation.Sf_category citations _Citation.Sf_framecode biophysical_characterization _Citation.Entry_ID 17582 _Citation.ID 2 _Citation.Class 'reference citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 21244846 _Citation.Full_citation . _Citation.Title 'Separating instability from aggregation propensity in (gamma)S-crystallin variants.' _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'Biophys. J.' _Citation.Journal_name_full . _Citation.Journal_volume 100 _Citation.Journal_issue 2 _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 498 _Citation.Page_last 506 _Citation.Year 2011 _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 William Brubaker . D. . 17582 2 2 J. Freites . Alfredo . 17582 2 3 Kory Golchert . J. . 17582 2 4 Rebecca Shapiro . A. . 17582 2 5 Vasilios Morikis . . . 17582 2 6 Douglas Tobias . J. . 17582 2 7 Rachel Martin . W. . 17582 2 stop_ loop_ _Citation_keyword.Keyword _Citation_keyword.Entry_ID _Citation_keyword.Citation_ID cataract 17582 2 crystallin 17582 2 'eye lens' 17582 2 'protein aggregation' 17582 2 'protein stability' 17582 2 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 17582 _Assembly.ID 1 _Assembly.Name gamma-S-G18V _Assembly.BMRB_code . _Assembly.Number_of_components 1 _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds no _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state . _Assembly.Molecular_mass 21000 _Assembly.Enzyme_commission_number . _Assembly.Details . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Entity_assembly.ID _Entity_assembly.Entity_assembly_name _Entity_assembly.Entity_ID _Entity_assembly.Entity_label _Entity_assembly.Asym_ID _Entity_assembly.PDB_chain_ID _Entity_assembly.Experimental_data_reported _Entity_assembly.Physical_state _Entity_assembly.Conformational_isomer _Entity_assembly.Chemical_exchange_state _Entity_assembly.Magnetic_equivalence_group_code _Entity_assembly.Role _Entity_assembly.Details _Entity_assembly.Entry_ID _Entity_assembly.Assembly_ID 1 gamma-S-G18V 1 $gamma-S-G18V A . yes native no no . . . 17582 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_gamma-S-G18V _Entity.Sf_category entity _Entity.Sf_framecode gamma-S-G18V _Entity.Entry_ID 17582 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name gamma-S-G18V _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 ; GSKTGTKITFYEDKNFQVRR YDCDCDCADFHTYLSRCNSI KVEGGTWAVYERPNFAGYMY ILPQGEYPEYQRWMGLNDRL SSCRAVHLPSGGQYKIQIFE KGDFSGQMYETTEDCPSIME QFHMREIHSCKVLEGVWIFY ELPNYRGRQYLLDKKEYRKP IDWGAASPAVQSFRRIVE ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details 'Full length human gamma-S crystallin containing the G18V substitution, and an M1G substitution.' _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 178 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'all free' _Entity.Src_method . _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation 'M1G, G18V' _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 20974.6 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date 2015-11-25 loop_ _Entity_db_link.Ordinal _Entity_db_link.Author_supplied _Entity_db_link.Database_code _Entity_db_link.Accession_code _Entity_db_link.Entry_mol_code _Entity_db_link.Entry_mol_name _Entity_db_link.Entry_experimental_method _Entity_db_link.Entry_structure_resolution _Entity_db_link.Entry_relation_type _Entity_db_link.Entry_details _Entity_db_link.Chimera_segment_ID _Entity_db_link.Seq_query_to_submitted_percent _Entity_db_link.Seq_subject_length _Entity_db_link.Seq_identity _Entity_db_link.Seq_positive _Entity_db_link.Seq_homology_expectation_val _Entity_db_link.Seq_align_begin _Entity_db_link.Seq_align_end _Entity_db_link.Seq_difference_details _Entity_db_link.Seq_alignment_details _Entity_db_link.Entry_ID _Entity_db_link.Entity_ID 1 no BMRB 17576 . gamma-S-WT . . . . . 100.00 178 99.44 99.44 2.40e-129 . . . . 17582 1 2 no PDB 2M3T . "Solution-state Nmr Structure Of Wild-type Human Gamma(s)-crystallin" . . . . . 100.00 178 99.44 99.44 2.40e-129 . . . . 17582 1 3 no PDB 2M3U . "Solution-state Nmr Structure Of Cataract-related Human Gamma(s)- Crystallin Point Variant G18v" . . . . . 100.00 178 100.00 100.00 1.34e-130 . . . . 17582 1 4 no DBJ BAG36855 . "unnamed protein product [Homo sapiens]" . . . . . 99.44 178 99.44 99.44 1.14e-128 . . . . 17582 1 5 no GB AAD45901 . "gammaS-crystallin [Homo sapiens]" . . . . . 99.44 178 99.44 99.44 1.14e-128 . . . . 17582 1 6 no GB AAF72490 . "gammaS-crystallin [Homo sapiens]" . . . . . 99.44 178 99.44 99.44 1.14e-128 . . . . 17582 1 7 no GB AAH69478 . "Crystallin, gamma S [Homo sapiens]" . . . . . 99.44 178 99.44 99.44 1.14e-128 . . . . 17582 1 8 no GB AAH70241 . "Crystallin, gamma S [Homo sapiens]" . . . . . 99.44 178 99.44 99.44 1.14e-128 . . . . 17582 1 9 no GB ADQ32938 . "crystallin, gamma S [synthetic construct]" . . . . . 99.44 178 99.44 99.44 1.14e-128 . . . . 17582 1 10 no REF NP_060011 . "beta-crystallin S [Homo sapiens]" . . . . . 99.44 178 99.44 99.44 1.14e-128 . . . . 17582 1 11 no REF XP_001092090 . "PREDICTED: beta-crystallin S isoform 1 [Macaca mulatta]" . . . . . 99.44 178 98.31 98.87 1.85e-127 . . . . 17582 1 12 no REF XP_002758251 . "PREDICTED: beta-crystallin S isoform X1 [Callithrix jacchus]" . . . . . 99.44 178 97.74 99.44 2.15e-127 . . . . 17582 1 13 no REF XP_003256655 . "PREDICTED: beta-crystallin S [Nomascus leucogenys]" . . . . . 99.44 178 98.31 98.87 4.10e-127 . . . . 17582 1 14 no REF XP_003894751 . "PREDICTED: beta-crystallin S [Papio anubis]" . . . . . 99.44 178 98.31 98.87 1.85e-127 . . . . 17582 1 15 no SP P22914 . "RecName: Full=Beta-crystallin S; AltName: Full=Gamma-S-crystallin; AltName: Full=Gamma-crystallin S" . . . . . 99.44 178 99.44 99.44 1.14e-128 . . . . 17582 1 stop_ loop_ _Entity_biological_function.Biological_function _Entity_biological_function.Entry_ID _Entity_biological_function.Entity_ID 'Maintain solubility and stability over many years in the eye lens. Structural protein.' 17582 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 . GLY . 17582 1 2 . SER . 17582 1 3 . LYS . 17582 1 4 . THR . 17582 1 5 . GLY . 17582 1 6 . THR . 17582 1 7 . LYS . 17582 1 8 . ILE . 17582 1 9 . THR . 17582 1 10 . PHE . 17582 1 11 . TYR . 17582 1 12 . GLU . 17582 1 13 . ASP . 17582 1 14 . LYS . 17582 1 15 . ASN . 17582 1 16 . PHE . 17582 1 17 . GLN . 17582 1 18 . VAL . 17582 1 19 . ARG . 17582 1 20 . ARG . 17582 1 21 . TYR . 17582 1 22 . ASP . 17582 1 23 . CYS . 17582 1 24 . ASP . 17582 1 25 . CYS . 17582 1 26 . ASP . 17582 1 27 . CYS . 17582 1 28 . ALA . 17582 1 29 . ASP . 17582 1 30 . PHE . 17582 1 31 . HIS . 17582 1 32 . THR . 17582 1 33 . TYR . 17582 1 34 . LEU . 17582 1 35 . SER . 17582 1 36 . ARG . 17582 1 37 . CYS . 17582 1 38 . ASN . 17582 1 39 . SER . 17582 1 40 . ILE . 17582 1 41 . LYS . 17582 1 42 . VAL . 17582 1 43 . GLU . 17582 1 44 . GLY . 17582 1 45 . GLY . 17582 1 46 . THR . 17582 1 47 . TRP . 17582 1 48 . ALA . 17582 1 49 . VAL . 17582 1 50 . TYR . 17582 1 51 . GLU . 17582 1 52 . ARG . 17582 1 53 . PRO . 17582 1 54 . ASN . 17582 1 55 . PHE . 17582 1 56 . ALA . 17582 1 57 . GLY . 17582 1 58 . TYR . 17582 1 59 . MET . 17582 1 60 . TYR . 17582 1 61 . ILE . 17582 1 62 . LEU . 17582 1 63 . PRO . 17582 1 64 . GLN . 17582 1 65 . GLY . 17582 1 66 . GLU . 17582 1 67 . TYR . 17582 1 68 . PRO . 17582 1 69 . GLU . 17582 1 70 . TYR . 17582 1 71 . GLN . 17582 1 72 . ARG . 17582 1 73 . TRP . 17582 1 74 . MET . 17582 1 75 . GLY . 17582 1 76 . LEU . 17582 1 77 . ASN . 17582 1 78 . ASP . 17582 1 79 . ARG . 17582 1 80 . LEU . 17582 1 81 . SER . 17582 1 82 . SER . 17582 1 83 . CYS . 17582 1 84 . ARG . 17582 1 85 . ALA . 17582 1 86 . VAL . 17582 1 87 . HIS . 17582 1 88 . LEU . 17582 1 89 . PRO . 17582 1 90 . SER . 17582 1 91 . GLY . 17582 1 92 . GLY . 17582 1 93 . GLN . 17582 1 94 . TYR . 17582 1 95 . LYS . 17582 1 96 . ILE . 17582 1 97 . GLN . 17582 1 98 . ILE . 17582 1 99 . PHE . 17582 1 100 . GLU . 17582 1 101 . LYS . 17582 1 102 . GLY . 17582 1 103 . ASP . 17582 1 104 . PHE . 17582 1 105 . SER . 17582 1 106 . GLY . 17582 1 107 . GLN . 17582 1 108 . MET . 17582 1 109 . TYR . 17582 1 110 . GLU . 17582 1 111 . THR . 17582 1 112 . THR . 17582 1 113 . GLU . 17582 1 114 . ASP . 17582 1 115 . CYS . 17582 1 116 . PRO . 17582 1 117 . SER . 17582 1 118 . ILE . 17582 1 119 . MET . 17582 1 120 . GLU . 17582 1 121 . GLN . 17582 1 122 . PHE . 17582 1 123 . HIS . 17582 1 124 . MET . 17582 1 125 . ARG . 17582 1 126 . GLU . 17582 1 127 . ILE . 17582 1 128 . HIS . 17582 1 129 . SER . 17582 1 130 . CYS . 17582 1 131 . LYS . 17582 1 132 . VAL . 17582 1 133 . LEU . 17582 1 134 . GLU . 17582 1 135 . GLY . 17582 1 136 . VAL . 17582 1 137 . TRP . 17582 1 138 . ILE . 17582 1 139 . PHE . 17582 1 140 . TYR . 17582 1 141 . GLU . 17582 1 142 . LEU . 17582 1 143 . PRO . 17582 1 144 . ASN . 17582 1 145 . TYR . 17582 1 146 . ARG . 17582 1 147 . GLY . 17582 1 148 . ARG . 17582 1 149 . GLN . 17582 1 150 . TYR . 17582 1 151 . LEU . 17582 1 152 . LEU . 17582 1 153 . ASP . 17582 1 154 . LYS . 17582 1 155 . LYS . 17582 1 156 . GLU . 17582 1 157 . TYR . 17582 1 158 . ARG . 17582 1 159 . LYS . 17582 1 160 . PRO . 17582 1 161 . ILE . 17582 1 162 . ASP . 17582 1 163 . TRP . 17582 1 164 . GLY . 17582 1 165 . ALA . 17582 1 166 . ALA . 17582 1 167 . SER . 17582 1 168 . PRO . 17582 1 169 . ALA . 17582 1 170 . VAL . 17582 1 171 . GLN . 17582 1 172 . SER . 17582 1 173 . PHE . 17582 1 174 . ARG . 17582 1 175 . ARG . 17582 1 176 . ILE . 17582 1 177 . VAL . 17582 1 178 . GLU . 17582 1 stop_ loop_ _Entity_poly_seq.Hetero _Entity_poly_seq.Mon_ID _Entity_poly_seq.Num _Entity_poly_seq.Comp_index_ID _Entity_poly_seq.Entry_ID _Entity_poly_seq.Entity_ID . GLY 1 1 17582 1 . SER 2 2 17582 1 . LYS 3 3 17582 1 . THR 4 4 17582 1 . GLY 5 5 17582 1 . THR 6 6 17582 1 . LYS 7 7 17582 1 . ILE 8 8 17582 1 . THR 9 9 17582 1 . PHE 10 10 17582 1 . TYR 11 11 17582 1 . GLU 12 12 17582 1 . ASP 13 13 17582 1 . LYS 14 14 17582 1 . ASN 15 15 17582 1 . PHE 16 16 17582 1 . GLN 17 17 17582 1 . VAL 18 18 17582 1 . ARG 19 19 17582 1 . ARG 20 20 17582 1 . TYR 21 21 17582 1 . ASP 22 22 17582 1 . CYS 23 23 17582 1 . ASP 24 24 17582 1 . CYS 25 25 17582 1 . ASP 26 26 17582 1 . CYS 27 27 17582 1 . ALA 28 28 17582 1 . ASP 29 29 17582 1 . PHE 30 30 17582 1 . HIS 31 31 17582 1 . THR 32 32 17582 1 . TYR 33 33 17582 1 . LEU 34 34 17582 1 . SER 35 35 17582 1 . ARG 36 36 17582 1 . CYS 37 37 17582 1 . ASN 38 38 17582 1 . SER 39 39 17582 1 . ILE 40 40 17582 1 . LYS 41 41 17582 1 . VAL 42 42 17582 1 . GLU 43 43 17582 1 . GLY 44 44 17582 1 . GLY 45 45 17582 1 . THR 46 46 17582 1 . TRP 47 47 17582 1 . ALA 48 48 17582 1 . VAL 49 49 17582 1 . TYR 50 50 17582 1 . GLU 51 51 17582 1 . ARG 52 52 17582 1 . PRO 53 53 17582 1 . ASN 54 54 17582 1 . PHE 55 55 17582 1 . ALA 56 56 17582 1 . GLY 57 57 17582 1 . TYR 58 58 17582 1 . MET 59 59 17582 1 . TYR 60 60 17582 1 . ILE 61 61 17582 1 . LEU 62 62 17582 1 . PRO 63 63 17582 1 . GLN 64 64 17582 1 . GLY 65 65 17582 1 . GLU 66 66 17582 1 . TYR 67 67 17582 1 . PRO 68 68 17582 1 . GLU 69 69 17582 1 . TYR 70 70 17582 1 . GLN 71 71 17582 1 . ARG 72 72 17582 1 . TRP 73 73 17582 1 . MET 74 74 17582 1 . GLY 75 75 17582 1 . LEU 76 76 17582 1 . ASN 77 77 17582 1 . ASP 78 78 17582 1 . ARG 79 79 17582 1 . LEU 80 80 17582 1 . SER 81 81 17582 1 . SER 82 82 17582 1 . CYS 83 83 17582 1 . ARG 84 84 17582 1 . ALA 85 85 17582 1 . VAL 86 86 17582 1 . HIS 87 87 17582 1 . LEU 88 88 17582 1 . PRO 89 89 17582 1 . SER 90 90 17582 1 . GLY 91 91 17582 1 . GLY 92 92 17582 1 . GLN 93 93 17582 1 . TYR 94 94 17582 1 . LYS 95 95 17582 1 . ILE 96 96 17582 1 . GLN 97 97 17582 1 . ILE 98 98 17582 1 . PHE 99 99 17582 1 . GLU 100 100 17582 1 . LYS 101 101 17582 1 . GLY 102 102 17582 1 . ASP 103 103 17582 1 . PHE 104 104 17582 1 . SER 105 105 17582 1 . GLY 106 106 17582 1 . GLN 107 107 17582 1 . MET 108 108 17582 1 . TYR 109 109 17582 1 . GLU 110 110 17582 1 . THR 111 111 17582 1 . THR 112 112 17582 1 . GLU 113 113 17582 1 . ASP 114 114 17582 1 . CYS 115 115 17582 1 . PRO 116 116 17582 1 . SER 117 117 17582 1 . ILE 118 118 17582 1 . MET 119 119 17582 1 . GLU 120 120 17582 1 . GLN 121 121 17582 1 . PHE 122 122 17582 1 . HIS 123 123 17582 1 . MET 124 124 17582 1 . ARG 125 125 17582 1 . GLU 126 126 17582 1 . ILE 127 127 17582 1 . HIS 128 128 17582 1 . SER 129 129 17582 1 . CYS 130 130 17582 1 . LYS 131 131 17582 1 . VAL 132 132 17582 1 . LEU 133 133 17582 1 . GLU 134 134 17582 1 . GLY 135 135 17582 1 . VAL 136 136 17582 1 . TRP 137 137 17582 1 . ILE 138 138 17582 1 . PHE 139 139 17582 1 . TYR 140 140 17582 1 . GLU 141 141 17582 1 . LEU 142 142 17582 1 . PRO 143 143 17582 1 . ASN 144 144 17582 1 . TYR 145 145 17582 1 . ARG 146 146 17582 1 . GLY 147 147 17582 1 . ARG 148 148 17582 1 . GLN 149 149 17582 1 . TYR 150 150 17582 1 . LEU 151 151 17582 1 . LEU 152 152 17582 1 . ASP 153 153 17582 1 . LYS 154 154 17582 1 . LYS 155 155 17582 1 . GLU 156 156 17582 1 . TYR 157 157 17582 1 . ARG 158 158 17582 1 . LYS 159 159 17582 1 . PRO 160 160 17582 1 . ILE 161 161 17582 1 . ASP 162 162 17582 1 . TRP 163 163 17582 1 . GLY 164 164 17582 1 . ALA 165 165 17582 1 . ALA 166 166 17582 1 . SER 167 167 17582 1 . PRO 168 168 17582 1 . ALA 169 169 17582 1 . VAL 170 170 17582 1 . GLN 171 171 17582 1 . SER 172 172 17582 1 . PHE 173 173 17582 1 . ARG 174 174 17582 1 . ARG 175 175 17582 1 . ILE 176 176 17582 1 . VAL 177 177 17582 1 . GLU 178 178 17582 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 17582 _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 $gamma-S-G18V . 9606 organism . 'Homo sapiens' Human . . Eukaryota Metazoa Homo sapiens . . . . . . . . . . . . . . . . CRYGS . 'Human gamma-S crystallin containing the G18V point mutation. Documented association with early onset cataracts.' . . 17582 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 17582 _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 $gamma-S-G18V . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli 'Rosetta (DE3)' . . . . . . . . . . . . . . . pET28a(+) . . . . . . 17582 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_gS-G18V _Sample.Sf_category sample _Sample.Sf_framecode gS-G18V _Sample.Entry_ID 17582 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details 'pH 4.5 acetate buffer' _Sample.Aggregate_sample_number . _Sample.Solvent_system '90% H2O/10% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 gamma-S-G18V '[U-100% 13C; U-100% 15N]' . . 1 $gamma-S-G18V . . 1.50 . . mM . . . . 17582 1 2 'acetic acid' 'natural abundance' . . . . . . 10 . . mM . . . . 17582 1 3 'sodium azide' 'natural abundance' . . . . . . 0.05 . . % . . . . 17582 1 4 D2O [U-2H] . . . . . . 10 . . % . . . . 17582 1 5 TSP [2,2,3,3-d4] . . . . . . 2 . . mM . . . . 17582 1 stop_ save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode sample_conditions_1 _Sample_condition_list.Entry_ID 17582 _Sample_condition_list.ID 1 _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID pH 4.5 . pH 17582 1 pressure 1 . atm 17582 1 temperature 273 . K 17582 1 stop_ save_ ############################ # Computer software used # ############################ save_VNMR _Software.Sf_category software _Software.Sf_framecode VNMR _Software.Entry_ID 17582 _Software.ID 1 _Software.Name VNMR _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID Varian . . 17582 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID collection 17582 1 stop_ save_ save_NMRPipe _Software.Sf_category software _Software.Sf_framecode NMRPipe _Software.Entry_ID 17582 _Software.ID 2 _Software.Name NMRPipe _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax' . . 17582 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID processing 17582 2 stop_ save_ save_SPARKY _Software.Sf_category software _Software.Sf_framecode SPARKY _Software.Entry_ID 17582 _Software.ID 3 _Software.Name SPARKY _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID Goddard . . 17582 3 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' 17582 3 'data analysis' 17582 3 'peak picking' 17582 3 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_UC_Irvine_800 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode UC_Irvine_800 _NMR_spectrometer.Entry_ID 17582 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Varian _NMR_spectrometer.Model INOVA _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 800 save_ save_NMR_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode NMR_spectrometer_list _NMR_spectrometer_list.Entry_ID 17582 _NMR_spectrometer_list.ID 1 loop_ _NMR_spectrometer_view.ID _NMR_spectrometer_view.Name _NMR_spectrometer_view.Manufacturer _NMR_spectrometer_view.Model _NMR_spectrometer_view.Serial_number _NMR_spectrometer_view.Field_strength _NMR_spectrometer_view.Details _NMR_spectrometer_view.Citation_ID _NMR_spectrometer_view.Citation_label _NMR_spectrometer_view.Entry_ID _NMR_spectrometer_view.NMR_spectrometer_list_ID 1 UC_Irvine_800 Varian INOVA . 800 . . . 17582 1 stop_ save_ ############################# # NMR applied experiments # ############################# save_experiment_list _Experiment_list.Sf_category experiment_list _Experiment_list.Sf_framecode experiment_list _Experiment_list.Entry_ID 17582 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NMR_spec_expt_ID _Experiment.NMR_spec_expt_label _Experiment.MS_expt_ID _Experiment.MS_expt_label _Experiment.SAXS_expt_ID _Experiment.SAXS_expt_label _Experiment.FRET_expt_ID _Experiment.FRET_expt_label _Experiment.EMR_expt_ID _Experiment.EMR_expt_label _Experiment.Sample_ID _Experiment.Sample_label _Experiment.Sample_state _Experiment.Sample_volume _Experiment.Sample_volume_units _Experiment.Sample_condition_list_ID _Experiment.Sample_condition_list_label _Experiment.Sample_spinning_rate _Experiment.Sample_angle _Experiment.NMR_tube_type _Experiment.NMR_spectrometer_ID _Experiment.NMR_spectrometer_label _Experiment.NMR_spectrometer_probe_ID _Experiment.NMR_spectrometer_probe_label _Experiment.NMR_spectral_processing_ID _Experiment.NMR_spectral_processing_label _Experiment.Mass_spectrometer_ID _Experiment.Mass_spectrometer_label _Experiment.Xray_instrument_ID _Experiment.Xray_instrument_label _Experiment.Fluorescence_instrument_ID _Experiment.Fluorescence_instrument_label _Experiment.EMR_instrument_ID _Experiment.EMR_instrument_label _Experiment.Chromatographic_system_ID _Experiment.Chromatographic_system_label _Experiment.Chromatographic_column_ID _Experiment.Chromatographic_column_label _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 '2D 1H-15N HSQC' no 1 $NMR_spectrometer_expt . . . . . . . . 1 $gS-G18V isotropic . . 1 $sample_conditions_1 . . . 1 $UC_Irvine_800 . . . . . . . . . . . . . . . . 17582 1 2 '2D 1H-13C HSQC aliphatic' no 1 $NMR_spectrometer_expt . . . . . . . . 1 $gS-G18V isotropic . . 1 $sample_conditions_1 . . . 1 $UC_Irvine_800 . . . . . . . . . . . . . . . . 17582 1 3 '2D 1H-13C HSQC aromatic' no 1 $NMR_spectrometer_expt . . . . . . . . 1 $gS-G18V isotropic . . 1 $sample_conditions_1 . . . 1 $UC_Irvine_800 . . . . . . . . . . . . . . . . 17582 1 4 '3D HNCO' no 1 $NMR_spectrometer_expt . . . . . . . . 1 $gS-G18V isotropic . . 1 $sample_conditions_1 . . . 1 $UC_Irvine_800 . . . . . . . . . . . . . . . . 17582 1 5 '3D HNCACB' no 1 $NMR_spectrometer_expt . . . . . . . . 1 $gS-G18V isotropic . . 1 $sample_conditions_1 . . . 1 $UC_Irvine_800 . . . . . . . . . . . . . . . . 17582 1 6 '3D CBCA(CO)NH' no 1 $NMR_spectrometer_expt . . . . . . . . 1 $gS-G18V isotropic . . 1 $sample_conditions_1 . . . 1 $UC_Irvine_800 . . . . . . . . . . . . . . . . 17582 1 7 '3D HCCH-COSY' no 1 $NMR_spectrometer_expt . . . . . . . . 1 $gS-G18V isotropic . . 1 $sample_conditions_1 . . . 1 $UC_Irvine_800 . . . . . . . . . . . . . . . . 17582 1 8 '3D HCCH-TOCSY' no 1 $NMR_spectrometer_expt . . . . . . . . 1 $gS-G18V isotropic . . 1 $sample_conditions_1 . . . 1 $UC_Irvine_800 . . . . . . . . . . . . . . . . 17582 1 9 '3D 1H-15N NOESY' no 1 $NMR_spectrometer_expt . . . . . . . . 1 $gS-G18V isotropic . . 1 $sample_conditions_1 . . . 1 $UC_Irvine_800 . . . . . . . . . . . . . . . . 17582 1 10 '3D 1H-13C NOESY aliphatic' no 1 $NMR_spectrometer_expt . . . . . . . . 1 $gS-G18V isotropic . . 1 $sample_conditions_1 . . . 1 $UC_Irvine_800 . . . . . . . . . . . . . . . . 17582 1 11 '3D 1H-13C NOESY aromatic' no 1 $NMR_spectrometer_expt . . . . . . . . 1 $gS-G18V isotropic . . 1 $sample_conditions_1 . . . 1 $UC_Irvine_800 . . . . . . . . . . . . . . . . 17582 1 stop_ save_ save_NMR_spectrometer_expt _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spectrometer_expt _NMR_spec_expt.Entry_ID 17582 _NMR_spec_expt.ID 1 _NMR_spec_expt.Name . _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID 1 _NMR_spec_expt.NMR_spectrometer_label $UC_Irvine_800 _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_TMSP _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode TMSP _Chem_shift_reference.Entry_ID 17582 _Chem_shift_reference.ID 1 _Chem_shift_reference.Details 'Chemical shifts were referenced to TMSP' 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 TSP 'methyl protons' . . . . ppm 0.00 . indirect 0.251449530 . . . . . . . . . 17582 1 H 1 TSP 'methyl protons' . . . . ppm 0.00 internal direct 1.000000000 . . . . . . . . . 17582 1 N 15 TSP 'methyl protons' . . . . ppm 0.00 . indirect 0.101329118 . . . . . . . . . 17582 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_g18v_assignments_primary _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode g18v_assignments_primary _Assigned_chem_shift_list.Entry_ID 17582 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $TMSP _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 '2D 1H-15N HSQC' . . . 17582 1 2 '2D 1H-13C HSQC aliphatic' . . . 17582 1 3 '2D 1H-13C HSQC aromatic' . . . 17582 1 4 '3D HNCO' . . . 17582 1 5 '3D HNCACB' . . . 17582 1 6 '3D CBCA(CO)NH' . . . 17582 1 7 '3D HCCH-COSY' . . . 17582 1 8 '3D HCCH-TOCSY' . . . 17582 1 9 '3D 1H-15N NOESY' . . . 17582 1 10 '3D 1H-13C NOESY aliphatic' . . . 17582 1 11 '3D 1H-13C NOESY aromatic' . . . 17582 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 GLY HA2 H 1 3.895 0.002 . 2 . . . . 1 GLY HA2 . 17582 1 2 . 1 1 1 1 GLY C C 13 170.252 0.000 . 1 . . . . 1 GLY C . 17582 1 3 . 1 1 1 1 GLY CA C 13 43.320 0.032 . 1 . . . . 1 GLY CA . 17582 1 4 . 1 1 2 2 SER H H 1 8.713 0.009 . 1 . . . . 2 SER H . 17582 1 5 . 1 1 2 2 SER HA H 1 4.531 0.004 . 1 . . . . 2 SER HA . 17582 1 6 . 1 1 2 2 SER HB2 H 1 3.902 0.007 . 2 . . . . 2 SER HB2 . 17582 1 7 . 1 1 2 2 SER HB3 H 1 3.847 0.004 . 2 . . . . 2 SER HB3 . 17582 1 8 . 1 1 2 2 SER C C 13 174.769 0.017 . 1 . . . . 2 SER C . 17582 1 9 . 1 1 2 2 SER CA C 13 58.205 0.079 . 1 . . . . 2 SER CA . 17582 1 10 . 1 1 2 2 SER CB C 13 64.012 0.098 . 1 . . . . 2 SER CB . 17582 1 11 . 1 1 2 2 SER N N 15 115.809 0.024 . 1 . . . . 2 SER N . 17582 1 12 . 1 1 3 3 LYS H H 1 8.694 0.013 . 1 . . . . 3 LYS H . 17582 1 13 . 1 1 3 3 LYS HA H 1 4.435 0.005 . 1 . . . . 3 LYS HA . 17582 1 14 . 1 1 3 3 LYS HB2 H 1 1.903 0.004 . 2 . . . . 3 LYS HB2 . 17582 1 15 . 1 1 3 3 LYS HB3 H 1 1.808 0.008 . 2 . . . . 3 LYS HB3 . 17582 1 16 . 1 1 3 3 LYS HG2 H 1 1.476 0.010 . 2 . . . . 3 LYS HG2 . 17582 1 17 . 1 1 3 3 LYS HG3 H 1 1.455 0.009 . 2 . . . . 3 LYS HG3 . 17582 1 18 . 1 1 3 3 LYS HD2 H 1 1.692 0.008 . 2 . . . . 3 LYS HD2 . 17582 1 19 . 1 1 3 3 LYS HE2 H 1 2.997 0.004 . 2 . . . . 3 LYS HE2 . 17582 1 20 . 1 1 3 3 LYS C C 13 177.028 0.000 . 1 . . . . 3 LYS C . 17582 1 21 . 1 1 3 3 LYS CA C 13 56.640 0.073 . 1 . . . . 3 LYS CA . 17582 1 22 . 1 1 3 3 LYS CB C 13 32.917 0.045 . 1 . . . . 3 LYS CB . 17582 1 23 . 1 1 3 3 LYS CG C 13 24.710 0.069 . 1 . . . . 3 LYS CG . 17582 1 24 . 1 1 3 3 LYS CD C 13 29.035 0.039 . 1 . . . . 3 LYS CD . 17582 1 25 . 1 1 3 3 LYS CE C 13 42.109 0.017 . 1 . . . . 3 LYS CE . 17582 1 26 . 1 1 3 3 LYS N N 15 123.712 0.035 . 1 . . . . 3 LYS N . 17582 1 27 . 1 1 4 4 THR H H 1 8.234 0.002 . 1 . . . . 4 THR H . 17582 1 28 . 1 1 4 4 THR HA H 1 4.379 0.013 . 1 . . . . 4 THR HA . 17582 1 29 . 1 1 4 4 THR HB H 1 4.310 0.004 . 1 . . . . 4 THR HB . 17582 1 30 . 1 1 4 4 THR HG21 H 1 1.219 0.005 . 1 . . . . 4 THR HG2 . 17582 1 31 . 1 1 4 4 THR HG22 H 1 1.219 0.005 . 1 . . . . 4 THR HG2 . 17582 1 32 . 1 1 4 4 THR HG23 H 1 1.219 0.005 . 1 . . . . 4 THR HG2 . 17582 1 33 . 1 1 4 4 THR C C 13 175.163 0.000 . 1 . . . . 4 THR C . 17582 1 34 . 1 1 4 4 THR CA C 13 61.761 0.087 . 1 . . . . 4 THR CA . 17582 1 35 . 1 1 4 4 THR CB C 13 69.910 0.060 . 1 . . . . 4 THR CB . 17582 1 36 . 1 1 4 4 THR CG2 C 13 21.679 0.071 . 1 . . . . 4 THR CG2 . 17582 1 37 . 1 1 4 4 THR N N 15 113.982 0.044 . 1 . . . . 4 THR N . 17582 1 38 . 1 1 5 5 GLY H H 1 8.290 0.019 . 1 . . . . 5 GLY H . 17582 1 39 . 1 1 5 5 GLY HA2 H 1 4.000 0.008 . 2 . . . . 5 GLY HA2 . 17582 1 40 . 1 1 5 5 GLY C C 13 173.260 0.000 . 1 . . . . 5 GLY C . 17582 1 41 . 1 1 5 5 GLY CA C 13 45.149 0.052 . 1 . . . . 5 GLY CA . 17582 1 42 . 1 1 5 5 GLY N N 15 110.854 0.042 . 1 . . . . 5 GLY N . 17582 1 43 . 1 1 6 6 THR H H 1 8.152 0.003 . 1 . . . . 6 THR H . 17582 1 44 . 1 1 6 6 THR HA H 1 4.809 0.013 . 1 . . . . 6 THR HA . 17582 1 45 . 1 1 6 6 THR HB H 1 4.072 0.009 . 1 . . . . 6 THR HB . 17582 1 46 . 1 1 6 6 THR HG21 H 1 1.039 0.005 . 1 . . . . 6 THR HG2 . 17582 1 47 . 1 1 6 6 THR HG22 H 1 1.039 0.005 . 1 . . . . 6 THR HG2 . 17582 1 48 . 1 1 6 6 THR HG23 H 1 1.039 0.005 . 1 . . . . 6 THR HG2 . 17582 1 49 . 1 1 6 6 THR C C 13 172.748 0.000 . 1 . . . . 6 THR C . 17582 1 50 . 1 1 6 6 THR CA C 13 59.698 0.074 . 1 . . . . 6 THR CA . 17582 1 51 . 1 1 6 6 THR CB C 13 70.277 0.076 . 1 . . . . 6 THR CB . 17582 1 52 . 1 1 6 6 THR CG2 C 13 20.029 0.093 . 1 . . . . 6 THR CG2 . 17582 1 53 . 1 1 6 6 THR N N 15 114.625 0.060 . 1 . . . . 6 THR N . 17582 1 54 . 1 1 7 7 LYS H H 1 8.547 0.003 . 1 . . . . 7 LYS H . 17582 1 55 . 1 1 7 7 LYS HA H 1 5.065 0.010 . 1 . . . . 7 LYS HA . 17582 1 56 . 1 1 7 7 LYS HB2 H 1 1.676 0.006 . 2 . . . . 7 LYS HB2 . 17582 1 57 . 1 1 7 7 LYS HB3 H 1 1.576 0.005 . 2 . . . . 7 LYS HB3 . 17582 1 58 . 1 1 7 7 LYS HG2 H 1 1.212 0.010 . 2 . . . . 7 LYS HG2 . 17582 1 59 . 1 1 7 7 LYS HG3 H 1 1.166 0.012 . 2 . . . . 7 LYS HG3 . 17582 1 60 . 1 1 7 7 LYS HD2 H 1 1.454 0.006 . 2 . . . . 7 LYS HD2 . 17582 1 61 . 1 1 7 7 LYS HE2 H 1 2.710 0.007 . 2 . . . . 7 LYS HE2 . 17582 1 62 . 1 1 7 7 LYS C C 13 172.482 0.000 . 1 . . . . 7 LYS C . 17582 1 63 . 1 1 7 7 LYS CA C 13 56.298 0.052 . 1 . . . . 7 LYS CA . 17582 1 64 . 1 1 7 7 LYS CB C 13 36.080 0.059 . 1 . . . . 7 LYS CB . 17582 1 65 . 1 1 7 7 LYS CG C 13 24.001 0.055 . 1 . . . . 7 LYS CG . 17582 1 66 . 1 1 7 7 LYS CD C 13 29.050 0.083 . 1 . . . . 7 LYS CD . 17582 1 67 . 1 1 7 7 LYS CE C 13 41.685 0.079 . 1 . . . . 7 LYS CE . 17582 1 68 . 1 1 7 7 LYS N N 15 125.207 0.028 . 1 . . . . 7 LYS N . 17582 1 69 . 1 1 8 8 ILE H H 1 8.304 0.004 . 1 . . . . 8 ILE H . 17582 1 70 . 1 1 8 8 ILE HA H 1 4.569 0.011 . 1 . . . . 8 ILE HA . 17582 1 71 . 1 1 8 8 ILE HB H 1 -0.361 0.017 . 1 . . . . 8 ILE HB . 17582 1 72 . 1 1 8 8 ILE HG12 H 1 -0.468 0.010 . 2 . . . . 8 ILE HG12 . 17582 1 73 . 1 1 8 8 ILE HG13 H 1 -0.752 0.012 . 2 . . . . 8 ILE HG13 . 17582 1 74 . 1 1 8 8 ILE HG21 H 1 -0.451 0.025 . 1 . . . . 8 ILE HG2 . 17582 1 75 . 1 1 8 8 ILE HG22 H 1 -0.451 0.025 . 1 . . . . 8 ILE HG2 . 17582 1 76 . 1 1 8 8 ILE HG23 H 1 -0.451 0.025 . 1 . . . . 8 ILE HG2 . 17582 1 77 . 1 1 8 8 ILE HD11 H 1 -0.645 0.044 . 1 . . . . 8 ILE HD1 . 17582 1 78 . 1 1 8 8 ILE HD12 H 1 -0.645 0.044 . 1 . . . . 8 ILE HD1 . 17582 1 79 . 1 1 8 8 ILE HD13 H 1 -0.645 0.044 . 1 . . . . 8 ILE HD1 . 17582 1 80 . 1 1 8 8 ILE C C 13 171.509 0.000 . 1 . . . . 8 ILE C . 17582 1 81 . 1 1 8 8 ILE CA C 13 59.058 0.066 . 1 . . . . 8 ILE CA . 17582 1 82 . 1 1 8 8 ILE CB C 13 41.285 0.089 . 1 . . . . 8 ILE CB . 17582 1 83 . 1 1 8 8 ILE CG1 C 13 24.354 0.063 . 1 . . . . 8 ILE CG1 . 17582 1 84 . 1 1 8 8 ILE CG2 C 13 13.868 0.080 . 1 . . . . 8 ILE CG2 . 17582 1 85 . 1 1 8 8 ILE CD1 C 13 12.604 0.057 . 1 . . . . 8 ILE CD1 . 17582 1 86 . 1 1 8 8 ILE N N 15 125.378 0.044 . 1 . . . . 8 ILE N . 17582 1 87 . 1 1 9 9 THR H H 1 8.091 0.003 . 1 . . . . 9 THR H . 17582 1 88 . 1 1 9 9 THR HA H 1 4.440 0.012 . 1 . . . . 9 THR HA . 17582 1 89 . 1 1 9 9 THR HB H 1 3.601 0.006 . 1 . . . . 9 THR HB . 17582 1 90 . 1 1 9 9 THR HG21 H 1 0.704 0.001 . 1 . . . . 9 THR HG2 . 17582 1 91 . 1 1 9 9 THR HG22 H 1 0.704 0.001 . 1 . . . . 9 THR HG2 . 17582 1 92 . 1 1 9 9 THR HG23 H 1 0.704 0.001 . 1 . . . . 9 THR HG2 . 17582 1 93 . 1 1 9 9 THR C C 13 171.980 0.000 . 1 . . . . 9 THR C . 17582 1 94 . 1 1 9 9 THR CA C 13 61.852 0.081 . 1 . . . . 9 THR CA . 17582 1 95 . 1 1 9 9 THR CB C 13 70.801 0.107 . 1 . . . . 9 THR CB . 17582 1 96 . 1 1 9 9 THR CG2 C 13 21.529 0.007 . 1 . . . . 9 THR CG2 . 17582 1 97 . 1 1 9 9 THR N N 15 120.998 0.062 . 1 . . . . 9 THR N . 17582 1 98 . 1 1 10 10 PHE H H 1 8.880 0.005 . 1 . . . . 10 PHE H . 17582 1 99 . 1 1 10 10 PHE HA H 1 4.630 0.009 . 1 . . . . 10 PHE HA . 17582 1 100 . 1 1 10 10 PHE HB2 H 1 3.118 0.011 . 2 . . . . 10 PHE HB2 . 17582 1 101 . 1 1 10 10 PHE HB3 H 1 2.543 0.007 . 2 . . . . 10 PHE HB3 . 17582 1 102 . 1 1 10 10 PHE C C 13 174.710 0.000 . 1 . . . . 10 PHE C . 17582 1 103 . 1 1 10 10 PHE CA C 13 57.757 0.090 . 1 . . . . 10 PHE CA . 17582 1 104 . 1 1 10 10 PHE CB C 13 42.047 0.088 . 1 . . . . 10 PHE CB . 17582 1 105 . 1 1 10 10 PHE N N 15 122.831 0.056 . 1 . . . . 10 PHE N . 17582 1 106 . 1 1 11 11 TYR H H 1 8.816 0.006 . 1 . . . . 11 TYR H . 17582 1 107 . 1 1 11 11 TYR HA H 1 5.050 0.007 . 1 . . . . 11 TYR HA . 17582 1 108 . 1 1 11 11 TYR HB2 H 1 3.432 0.009 . 2 . . . . 11 TYR HB2 . 17582 1 109 . 1 1 11 11 TYR HB3 H 1 3.056 0.007 . 2 . . . . 11 TYR HB3 . 17582 1 110 . 1 1 11 11 TYR C C 13 176.306 0.000 . 1 . . . . 11 TYR C . 17582 1 111 . 1 1 11 11 TYR CA C 13 56.179 0.051 . 1 . . . . 11 TYR CA . 17582 1 112 . 1 1 11 11 TYR CB C 13 38.050 0.066 . 1 . . . . 11 TYR CB . 17582 1 113 . 1 1 11 11 TYR N N 15 121.951 0.030 . 1 . . . . 11 TYR N . 17582 1 114 . 1 1 12 12 GLU H H 1 9.315 0.004 . 1 . . . . 12 GLU H . 17582 1 115 . 1 1 12 12 GLU HA H 1 4.884 0.008 . 1 . . . . 12 GLU HA . 17582 1 116 . 1 1 12 12 GLU HB2 H 1 2.323 0.009 . 2 . . . . 12 GLU HB2 . 17582 1 117 . 1 1 12 12 GLU HB3 H 1 2.194 0.004 . 2 . . . . 12 GLU HB3 . 17582 1 118 . 1 1 12 12 GLU HG2 H 1 2.587 0.005 . 2 . . . . 12 GLU HG2 . 17582 1 119 . 1 1 12 12 GLU HG3 H 1 2.456 0.005 . 2 . . . . 12 GLU HG3 . 17582 1 120 . 1 1 12 12 GLU C C 13 176.098 0.000 . 1 . . . . 12 GLU C . 17582 1 121 . 1 1 12 12 GLU CA C 13 58.641 0.090 . 1 . . . . 12 GLU CA . 17582 1 122 . 1 1 12 12 GLU CB C 13 32.233 0.066 . 1 . . . . 12 GLU CB . 17582 1 123 . 1 1 12 12 GLU CG C 13 37.589 0.031 . 1 . . . . 12 GLU CG . 17582 1 124 . 1 1 12 12 GLU N N 15 122.888 0.048 . 1 . . . . 12 GLU N . 17582 1 125 . 1 1 13 13 ASP H H 1 7.983 0.003 . 1 . . . . 13 ASP H . 17582 1 126 . 1 1 13 13 ASP HA H 1 5.285 0.004 . 1 . . . . 13 ASP HA . 17582 1 127 . 1 1 13 13 ASP HB2 H 1 2.842 0.009 . 2 . . . . 13 ASP HB2 . 17582 1 128 . 1 1 13 13 ASP HB3 H 1 2.576 0.006 . 2 . . . . 13 ASP HB3 . 17582 1 129 . 1 1 13 13 ASP C C 13 175.846 0.000 . 1 . . . . 13 ASP C . 17582 1 130 . 1 1 13 13 ASP CA C 13 51.914 0.041 . 1 . . . . 13 ASP CA . 17582 1 131 . 1 1 13 13 ASP CB C 13 43.795 0.053 . 1 . . . . 13 ASP CB . 17582 1 132 . 1 1 13 13 ASP N N 15 116.161 0.041 . 1 . . . . 13 ASP N . 17582 1 133 . 1 1 14 14 LYS H H 1 8.706 0.004 . 1 . . . . 14 LYS H . 17582 1 134 . 1 1 14 14 LYS HA H 1 3.932 0.008 . 1 . . . . 14 LYS HA . 17582 1 135 . 1 1 14 14 LYS HB2 H 1 1.845 0.008 . 2 . . . . 14 LYS HB2 . 17582 1 136 . 1 1 14 14 LYS HB3 H 1 1.666 0.008 . 2 . . . . 14 LYS HB3 . 17582 1 137 . 1 1 14 14 LYS HG2 H 1 1.758 0.006 . 2 . . . . 14 LYS HG2 . 17582 1 138 . 1 1 14 14 LYS HG3 H 1 1.442 0.012 . 2 . . . . 14 LYS HG3 . 17582 1 139 . 1 1 14 14 LYS HD2 H 1 1.691 0.009 . 2 . . . . 14 LYS HD2 . 17582 1 140 . 1 1 14 14 LYS HE2 H 1 2.990 0.005 . 2 . . . . 14 LYS HE2 . 17582 1 141 . 1 1 14 14 LYS C C 13 177.000 0.000 . 1 . . . . 14 LYS C . 17582 1 142 . 1 1 14 14 LYS CA C 13 56.476 0.122 . 1 . . . . 14 LYS CA . 17582 1 143 . 1 1 14 14 LYS CB C 13 34.265 0.116 . 1 . . . . 14 LYS CB . 17582 1 144 . 1 1 14 14 LYS CG C 13 26.018 0.077 . 1 . . . . 14 LYS CG . 17582 1 145 . 1 1 14 14 LYS CD C 13 30.010 0.000 . 1 . . . . 14 LYS CD . 17582 1 146 . 1 1 14 14 LYS N N 15 117.779 0.036 . 1 . . . . 14 LYS N . 17582 1 147 . 1 1 15 15 ASN H H 1 9.281 0.004 . 1 . . . . 15 ASN H . 17582 1 148 . 1 1 15 15 ASN HA H 1 3.195 0.005 . 1 . . . . 15 ASN HA . 17582 1 149 . 1 1 15 15 ASN HB2 H 1 2.822 0.007 . 2 . . . . 15 ASN HB2 . 17582 1 150 . 1 1 15 15 ASN HB3 H 1 2.537 0.007 . 2 . . . . 15 ASN HB3 . 17582 1 151 . 1 1 15 15 ASN HD21 H 1 7.519 0.004 . 2 . . . . 15 ASN HD21 . 17582 1 152 . 1 1 15 15 ASN HD22 H 1 6.799 0.002 . 2 . . . . 15 ASN HD22 . 17582 1 153 . 1 1 15 15 ASN C C 13 173.769 0.000 . 1 . . . . 15 ASN C . 17582 1 154 . 1 1 15 15 ASN CA C 13 54.429 0.052 . 1 . . . . 15 ASN CA . 17582 1 155 . 1 1 15 15 ASN CB C 13 36.611 0.050 . 1 . . . . 15 ASN CB . 17582 1 156 . 1 1 15 15 ASN CG C 13 177.839 0.008 . 1 . . . . 15 ASN CG . 17582 1 157 . 1 1 15 15 ASN N N 15 112.504 0.027 . 1 . . . . 15 ASN N . 17582 1 158 . 1 1 15 15 ASN ND2 N 15 113.025 0.090 . 1 . . . . 15 ASN ND2 . 17582 1 159 . 1 1 16 16 PHE H H 1 7.868 0.006 . 1 . . . . 16 PHE H . 17582 1 160 . 1 1 16 16 PHE HA H 1 2.562 0.006 . 1 . . . . 16 PHE HA . 17582 1 161 . 1 1 16 16 PHE HB2 H 1 2.953 0.013 . 2 . . . . 16 PHE HB2 . 17582 1 162 . 1 1 16 16 PHE HB3 H 1 2.068 0.008 . 2 . . . . 16 PHE HB3 . 17582 1 163 . 1 1 16 16 PHE HD1 H 1 6.639 0.003 . 3 . . . . 16 PHE HD1 . 17582 1 164 . 1 1 16 16 PHE HE1 H 1 7.272 0.005 . 3 . . . . 16 PHE HE1 . 17582 1 165 . 1 1 16 16 PHE HZ H 1 6.863 0.002 . 1 . . . . 16 PHE HZ . 17582 1 166 . 1 1 16 16 PHE C C 13 174.419 0.000 . 1 . . . . 16 PHE C . 17582 1 167 . 1 1 16 16 PHE CA C 13 56.305 0.094 . 1 . . . . 16 PHE CA . 17582 1 168 . 1 1 16 16 PHE CB C 13 34.989 0.102 . 1 . . . . 16 PHE CB . 17582 1 169 . 1 1 16 16 PHE CD1 C 13 131.538 0.047 . 3 . . . . 16 PHE CD1 . 17582 1 170 . 1 1 16 16 PHE CE1 C 13 131.472 0.010 . 3 . . . . 16 PHE CE1 . 17582 1 171 . 1 1 16 16 PHE CZ C 13 128.106 0.018 . 1 . . . . 16 PHE CZ . 17582 1 172 . 1 1 16 16 PHE N N 15 111.276 0.047 . 1 . . . . 16 PHE N . 17582 1 173 . 1 1 17 17 GLN H H 1 6.156 0.011 . 1 . . . . 17 GLN H . 17582 1 174 . 1 1 17 17 GLN HA H 1 4.579 0.006 . 1 . . . . 17 GLN HA . 17582 1 175 . 1 1 17 17 GLN HB2 H 1 2.191 0.005 . 2 . . . . 17 GLN HB2 . 17582 1 176 . 1 1 17 17 GLN HB3 H 1 1.851 0.011 . 2 . . . . 17 GLN HB3 . 17582 1 177 . 1 1 17 17 GLN HG2 H 1 2.396 0.004 . 2 . . . . 17 GLN HG2 . 17582 1 178 . 1 1 17 17 GLN HG3 H 1 2.239 0.009 . 2 . . . . 17 GLN HG3 . 17582 1 179 . 1 1 17 17 GLN HE21 H 1 7.277 0.003 . 2 . . . . 17 GLN HE21 . 17582 1 180 . 1 1 17 17 GLN HE22 H 1 6.910 0.003 . 2 . . . . 17 GLN HE22 . 17582 1 181 . 1 1 17 17 GLN C C 13 174.008 0.000 . 1 . . . . 17 GLN C . 17582 1 182 . 1 1 17 17 GLN CA C 13 53.737 0.099 . 1 . . . . 17 GLN CA . 17582 1 183 . 1 1 17 17 GLN CB C 13 30.924 0.073 . 1 . . . . 17 GLN CB . 17582 1 184 . 1 1 17 17 GLN CG C 13 33.587 0.072 . 1 . . . . 17 GLN CG . 17582 1 185 . 1 1 17 17 GLN CD C 13 180.863 0.011 . 1 . . . . 17 GLN CD . 17582 1 186 . 1 1 17 17 GLN N N 15 116.520 0.018 . 1 . . . . 17 GLN N . 17582 1 187 . 1 1 17 17 GLN NE2 N 15 113.004 0.059 . 1 . . . . 17 GLN NE2 . 17582 1 188 . 1 1 18 18 VAL H H 1 8.853 0.005 . 1 . . . . 18 VAL H . 17582 1 189 . 1 1 18 18 VAL HA H 1 3.402 0.006 . 1 . . . . 18 VAL HA . 17582 1 190 . 1 1 18 18 VAL HB H 1 2.873 0.011 . 1 . . . . 18 VAL HB . 17582 1 191 . 1 1 18 18 VAL HG11 H 1 0.956 0.006 . 2 . . . . 18 VAL HG1 . 17582 1 192 . 1 1 18 18 VAL HG12 H 1 0.956 0.006 . 2 . . . . 18 VAL HG1 . 17582 1 193 . 1 1 18 18 VAL HG13 H 1 0.956 0.006 . 2 . . . . 18 VAL HG1 . 17582 1 194 . 1 1 18 18 VAL HG21 H 1 0.905 0.003 . 2 . . . . 18 VAL HG2 . 17582 1 195 . 1 1 18 18 VAL HG22 H 1 0.905 0.003 . 2 . . . . 18 VAL HG2 . 17582 1 196 . 1 1 18 18 VAL HG23 H 1 0.905 0.003 . 2 . . . . 18 VAL HG2 . 17582 1 197 . 1 1 18 18 VAL C C 13 174.453 0.000 . 1 . . . . 18 VAL C . 17582 1 198 . 1 1 18 18 VAL CA C 13 64.016 0.084 . 1 . . . . 18 VAL CA . 17582 1 199 . 1 1 18 18 VAL CB C 13 27.833 0.100 . 1 . . . . 18 VAL CB . 17582 1 200 . 1 1 18 18 VAL CG1 C 13 21.006 0.080 . 2 . . . . 18 VAL CG1 . 17582 1 201 . 1 1 18 18 VAL N N 15 119.495 0.037 . 1 . . . . 18 VAL N . 17582 1 202 . 1 1 19 19 ARG H H 1 8.727 0.003 . 1 . . . . 19 ARG H . 17582 1 203 . 1 1 19 19 ARG HA H 1 3.637 0.008 . 1 . . . . 19 ARG HA . 17582 1 204 . 1 1 19 19 ARG HB2 H 1 1.695 0.006 . 2 . . . . 19 ARG HB2 . 17582 1 205 . 1 1 19 19 ARG HG2 H 1 1.121 0.007 . 2 . . . . 19 ARG HG2 . 17582 1 206 . 1 1 19 19 ARG HG3 H 1 0.775 0.018 . 2 . . . . 19 ARG HG3 . 17582 1 207 . 1 1 19 19 ARG HD2 H 1 3.043 0.005 . 2 . . . . 19 ARG HD2 . 17582 1 208 . 1 1 19 19 ARG HD3 H 1 2.925 0.003 . 2 . . . . 19 ARG HD3 . 17582 1 209 . 1 1 19 19 ARG HE H 1 7.438 0.003 . 1 . . . . 19 ARG HE . 17582 1 210 . 1 1 19 19 ARG C C 13 177.443 0.000 . 1 . . . . 19 ARG C . 17582 1 211 . 1 1 19 19 ARG CA C 13 58.085 0.055 . 1 . . . . 19 ARG CA . 17582 1 212 . 1 1 19 19 ARG CB C 13 30.408 0.100 . 1 . . . . 19 ARG CB . 17582 1 213 . 1 1 19 19 ARG CG C 13 26.025 0.063 . 1 . . . . 19 ARG CG . 17582 1 214 . 1 1 19 19 ARG CD C 13 43.496 0.018 . 1 . . . . 19 ARG CD . 17582 1 215 . 1 1 19 19 ARG N N 15 127.408 0.045 . 1 . . . . 19 ARG N . 17582 1 216 . 1 1 19 19 ARG NE N 15 84.123 0.006 . 1 . . . . 19 ARG NE . 17582 1 217 . 1 1 20 20 ARG H H 1 8.540 0.002 . 1 . . . . 20 ARG H . 17582 1 218 . 1 1 20 20 ARG HA H 1 4.904 0.010 . 1 . . . . 20 ARG HA . 17582 1 219 . 1 1 20 20 ARG HB2 H 1 2.208 0.010 . 2 . . . . 20 ARG HB2 . 17582 1 220 . 1 1 20 20 ARG HB3 H 1 1.716 0.008 . 2 . . . . 20 ARG HB3 . 17582 1 221 . 1 1 20 20 ARG HG2 H 1 2.099 0.016 . 2 . . . . 20 ARG HG2 . 17582 1 222 . 1 1 20 20 ARG HG3 H 1 2.038 0.005 . 2 . . . . 20 ARG HG3 . 17582 1 223 . 1 1 20 20 ARG HD2 H 1 3.529 0.012 . 2 . . . . 20 ARG HD2 . 17582 1 224 . 1 1 20 20 ARG HD3 H 1 3.447 0.010 . 2 . . . . 20 ARG HD3 . 17582 1 225 . 1 1 20 20 ARG HE H 1 7.238 0.003 . 1 . . . . 20 ARG HE . 17582 1 226 . 1 1 20 20 ARG C C 13 175.457 0.000 . 1 . . . . 20 ARG C . 17582 1 227 . 1 1 20 20 ARG CA C 13 54.545 0.043 . 1 . . . . 20 ARG CA . 17582 1 228 . 1 1 20 20 ARG CB C 13 35.688 0.065 . 1 . . . . 20 ARG CB . 17582 1 229 . 1 1 20 20 ARG CG C 13 26.300 0.055 . 1 . . . . 20 ARG CG . 17582 1 230 . 1 1 20 20 ARG CD C 13 42.942 0.064 . 1 . . . . 20 ARG CD . 17582 1 231 . 1 1 20 20 ARG N N 15 124.129 0.065 . 1 . . . . 20 ARG N . 17582 1 232 . 1 1 20 20 ARG NE N 15 85.127 0.008 . 1 . . . . 20 ARG NE . 17582 1 233 . 1 1 21 21 TYR H H 1 7.612 0.003 . 1 . . . . 21 TYR H . 17582 1 234 . 1 1 21 21 TYR HA H 1 4.592 0.009 . 1 . . . . 21 TYR HA . 17582 1 235 . 1 1 21 21 TYR HB2 H 1 2.867 0.021 . 2 . . . . 21 TYR HB2 . 17582 1 236 . 1 1 21 21 TYR HB3 H 1 2.057 0.010 . 2 . . . . 21 TYR HB3 . 17582 1 237 . 1 1 21 21 TYR HD1 H 1 6.337 0.003 . 3 . . . . 21 TYR HD1 . 17582 1 238 . 1 1 21 21 TYR HE1 H 1 6.433 0.003 . 3 . . . . 21 TYR HE1 . 17582 1 239 . 1 1 21 21 TYR C C 13 171.550 0.000 . 1 . . . . 21 TYR C . 17582 1 240 . 1 1 21 21 TYR CA C 13 58.738 0.053 . 1 . . . . 21 TYR CA . 17582 1 241 . 1 1 21 21 TYR CB C 13 41.696 0.099 . 1 . . . . 21 TYR CB . 17582 1 242 . 1 1 21 21 TYR CD1 C 13 131.761 0.031 . 3 . . . . 21 TYR CD1 . 17582 1 243 . 1 1 21 21 TYR CE1 C 13 118.945 0.028 . 3 . . . . 21 TYR CE1 . 17582 1 244 . 1 1 21 21 TYR N N 15 117.734 0.032 . 1 . . . . 21 TYR N . 17582 1 245 . 1 1 22 22 ASP H H 1 6.868 0.003 . 1 . . . . 22 ASP H . 17582 1 246 . 1 1 22 22 ASP HA H 1 5.128 0.006 . 1 . . . . 22 ASP HA . 17582 1 247 . 1 1 22 22 ASP HB2 H 1 2.361 0.005 . 2 . . . . 22 ASP HB2 . 17582 1 248 . 1 1 22 22 ASP HB3 H 1 2.255 0.004 . 2 . . . . 22 ASP HB3 . 17582 1 249 . 1 1 22 22 ASP C C 13 172.528 0.000 . 1 . . . . 22 ASP C . 17582 1 250 . 1 1 22 22 ASP CA C 13 52.601 0.061 . 1 . . . . 22 ASP CA . 17582 1 251 . 1 1 22 22 ASP CB C 13 45.032 0.061 . 1 . . . . 22 ASP CB . 17582 1 252 . 1 1 22 22 ASP N N 15 123.811 0.023 . 1 . . . . 22 ASP N . 17582 1 253 . 1 1 23 23 CYS H H 1 8.514 0.002 . 1 . . . . 23 CYS H . 17582 1 254 . 1 1 23 23 CYS HA H 1 4.657 0.007 . 1 . . . . 23 CYS HA . 17582 1 255 . 1 1 23 23 CYS HB2 H 1 3.102 0.008 . 2 . . . . 23 CYS HB2 . 17582 1 256 . 1 1 23 23 CYS HB3 H 1 2.834 0.009 . 2 . . . . 23 CYS HB3 . 17582 1 257 . 1 1 23 23 CYS C C 13 172.562 0.000 . 1 . . . . 23 CYS C . 17582 1 258 . 1 1 23 23 CYS CA C 13 57.438 0.068 . 1 . . . . 23 CYS CA . 17582 1 259 . 1 1 23 23 CYS CB C 13 30.689 0.079 . 1 . . . . 23 CYS CB . 17582 1 260 . 1 1 23 23 CYS N N 15 114.435 0.021 . 1 . . . . 23 CYS N . 17582 1 261 . 1 1 24 24 ASP H H 1 8.426 0.002 . 1 . . . . 24 ASP H . 17582 1 262 . 1 1 24 24 ASP HA H 1 5.343 0.020 . 1 . . . . 24 ASP HA . 17582 1 263 . 1 1 24 24 ASP HB2 H 1 3.352 0.008 . 2 . . . . 24 ASP HB2 . 17582 1 264 . 1 1 24 24 ASP HB3 H 1 2.597 0.007 . 2 . . . . 24 ASP HB3 . 17582 1 265 . 1 1 24 24 ASP C C 13 175.575 0.000 . 1 . . . . 24 ASP C . 17582 1 266 . 1 1 24 24 ASP CA C 13 52.591 0.103 . 1 . . . . 24 ASP CA . 17582 1 267 . 1 1 24 24 ASP CB C 13 41.887 0.064 . 1 . . . . 24 ASP CB . 17582 1 268 . 1 1 24 24 ASP N N 15 119.155 0.024 . 1 . . . . 24 ASP N . 17582 1 269 . 1 1 25 25 CYS H H 1 8.184 0.002 . 1 . . . . 25 CYS H . 17582 1 270 . 1 1 25 25 CYS HA H 1 4.903 0.005 . 1 . . . . 25 CYS HA . 17582 1 271 . 1 1 25 25 CYS HB2 H 1 3.265 0.005 . 2 . . . . 25 CYS HB2 . 17582 1 272 . 1 1 25 25 CYS HB3 H 1 3.121 0.006 . 2 . . . . 25 CYS HB3 . 17582 1 273 . 1 1 25 25 CYS C C 13 171.746 0.000 . 1 . . . . 25 CYS C . 17582 1 274 . 1 1 25 25 CYS CA C 13 55.625 0.037 . 1 . . . . 25 CYS CA . 17582 1 275 . 1 1 25 25 CYS CB C 13 30.422 0.103 . 1 . . . . 25 CYS CB . 17582 1 276 . 1 1 25 25 CYS N N 15 115.784 0.038 . 1 . . . . 25 CYS N . 17582 1 277 . 1 1 26 26 ASP H H 1 8.130 0.002 . 1 . . . . 26 ASP H . 17582 1 278 . 1 1 26 26 ASP HA H 1 4.858 0.007 . 1 . . . . 26 ASP HA . 17582 1 279 . 1 1 26 26 ASP HB2 H 1 2.893 0.005 . 2 . . . . 26 ASP HB2 . 17582 1 280 . 1 1 26 26 ASP C C 13 176.353 0.000 . 1 . . . . 26 ASP C . 17582 1 281 . 1 1 26 26 ASP CA C 13 56.228 0.076 . 1 . . . . 26 ASP CA . 17582 1 282 . 1 1 26 26 ASP CB C 13 40.714 0.102 . 1 . . . . 26 ASP CB . 17582 1 283 . 1 1 26 26 ASP N N 15 118.182 0.019 . 1 . . . . 26 ASP N . 17582 1 284 . 1 1 27 27 CYS H H 1 9.460 0.003 . 1 . . . . 27 CYS H . 17582 1 285 . 1 1 27 27 CYS HA H 1 5.021 0.001 . 1 . . . . 27 CYS HA . 17582 1 286 . 1 1 27 27 CYS HB2 H 1 3.495 0.002 . 2 . . . . 27 CYS HB2 . 17582 1 287 . 1 1 27 27 CYS C C 13 173.986 0.000 . 1 . . . . 27 CYS C . 17582 1 288 . 1 1 27 27 CYS CA C 13 58.806 0.050 . 1 . . . . 27 CYS CA . 17582 1 289 . 1 1 27 27 CYS CB C 13 29.568 0.053 . 1 . . . . 27 CYS CB . 17582 1 290 . 1 1 27 27 CYS N N 15 122.289 0.028 . 1 . . . . 27 CYS N . 17582 1 291 . 1 1 28 28 ALA H H 1 9.231 0.002 . 1 . . . . 28 ALA H . 17582 1 292 . 1 1 28 28 ALA HA H 1 3.639 0.005 . 1 . . . . 28 ALA HA . 17582 1 293 . 1 1 28 28 ALA HB1 H 1 1.368 0.006 . 1 . . . . 28 ALA HB . 17582 1 294 . 1 1 28 28 ALA HB2 H 1 1.368 0.006 . 1 . . . . 28 ALA HB . 17582 1 295 . 1 1 28 28 ALA HB3 H 1 1.368 0.006 . 1 . . . . 28 ALA HB . 17582 1 296 . 1 1 28 28 ALA C C 13 176.077 0.000 . 1 . . . . 28 ALA C . 17582 1 297 . 1 1 28 28 ALA CA C 13 54.162 0.102 . 1 . . . . 28 ALA CA . 17582 1 298 . 1 1 28 28 ALA CB C 13 18.762 0.043 . 1 . . . . 28 ALA CB . 17582 1 299 . 1 1 28 28 ALA N N 15 130.625 0.016 . 1 . . . . 28 ALA N . 17582 1 300 . 1 1 29 29 ASP H H 1 7.661 0.002 . 1 . . . . 29 ASP H . 17582 1 301 . 1 1 29 29 ASP HA H 1 4.775 0.005 . 1 . . . . 29 ASP HA . 17582 1 302 . 1 1 29 29 ASP HB2 H 1 2.973 0.009 . 2 . . . . 29 ASP HB2 . 17582 1 303 . 1 1 29 29 ASP HB3 H 1 2.694 0.008 . 2 . . . . 29 ASP HB3 . 17582 1 304 . 1 1 29 29 ASP C C 13 175.729 0.000 . 1 . . . . 29 ASP C . 17582 1 305 . 1 1 29 29 ASP CA C 13 54.546 0.035 . 1 . . . . 29 ASP CA . 17582 1 306 . 1 1 29 29 ASP CB C 13 40.801 0.056 . 1 . . . . 29 ASP CB . 17582 1 307 . 1 1 29 29 ASP N N 15 113.526 0.023 . 1 . . . . 29 ASP N . 17582 1 308 . 1 1 30 30 PHE H H 1 8.513 0.003 . 1 . . . . 30 PHE H . 17582 1 309 . 1 1 30 30 PHE HA H 1 5.046 0.004 . 1 . . . . 30 PHE HA . 17582 1 310 . 1 1 30 30 PHE HB2 H 1 2.852 0.008 . 2 . . . . 30 PHE HB2 . 17582 1 311 . 1 1 30 30 PHE HB3 H 1 2.454 0.008 . 2 . . . . 30 PHE HB3 . 17582 1 312 . 1 1 30 30 PHE HD1 H 1 6.857 0.003 . 3 . . . . 30 PHE HD1 . 17582 1 313 . 1 1 30 30 PHE HE1 H 1 6.128 0.008 . 3 . . . . 30 PHE HE1 . 17582 1 314 . 1 1 30 30 PHE HZ H 1 6.562 0.003 . 1 . . . . 30 PHE HZ . 17582 1 315 . 1 1 30 30 PHE C C 13 178.073 0.000 . 1 . . . . 30 PHE C . 17582 1 316 . 1 1 30 30 PHE CA C 13 55.694 0.113 . 1 . . . . 30 PHE CA . 17582 1 317 . 1 1 30 30 PHE CB C 13 36.336 0.120 . 1 . . . . 30 PHE CB . 17582 1 318 . 1 1 30 30 PHE CD1 C 13 131.300 0.025 . 3 . . . . 30 PHE CD1 . 17582 1 319 . 1 1 30 30 PHE CE1 C 13 129.171 0.000 . 3 . . . . 30 PHE CE1 . 17582 1 320 . 1 1 30 30 PHE CZ C 13 130.110 0.026 . 1 . . . . 30 PHE CZ . 17582 1 321 . 1 1 30 30 PHE N N 15 124.419 0.042 . 1 . . . . 30 PHE N . 17582 1 322 . 1 1 31 31 HIS H H 1 8.828 0.002 . 1 . . . . 31 HIS H . 17582 1 323 . 1 1 31 31 HIS HA H 1 4.875 0.015 . 1 . . . . 31 HIS HA . 17582 1 324 . 1 1 31 31 HIS HB2 H 1 3.650 0.025 . 2 . . . . 31 HIS HB2 . 17582 1 325 . 1 1 31 31 HIS HB3 H 1 3.080 0.006 . 2 . . . . 31 HIS HB3 . 17582 1 326 . 1 1 31 31 HIS HD2 H 1 7.136 0.002 . 1 . . . . 31 HIS HD2 . 17582 1 327 . 1 1 31 31 HIS HE1 H 1 8.453 0.004 . 1 . . . . 31 HIS HE1 . 17582 1 328 . 1 1 31 31 HIS C C 13 175.201 0.000 . 1 . . . . 31 HIS C . 17582 1 329 . 1 1 31 31 HIS CA C 13 59.183 0.081 . 1 . . . . 31 HIS CA . 17582 1 330 . 1 1 31 31 HIS CB C 13 27.241 0.057 . 1 . . . . 31 HIS CB . 17582 1 331 . 1 1 31 31 HIS CD2 C 13 120.477 0.021 . 1 . . . . 31 HIS CD2 . 17582 1 332 . 1 1 31 31 HIS CE1 C 13 136.094 0.006 . 1 . . . . 31 HIS CE1 . 17582 1 333 . 1 1 31 31 HIS N N 15 121.801 0.059 . 1 . . . . 31 HIS N . 17582 1 334 . 1 1 32 32 THR H H 1 7.704 0.003 . 1 . . . . 32 THR H . 17582 1 335 . 1 1 32 32 THR HA H 1 3.661 0.010 . 1 . . . . 32 THR HA . 17582 1 336 . 1 1 32 32 THR HB H 1 3.705 0.015 . 1 . . . . 32 THR HB . 17582 1 337 . 1 1 32 32 THR HG21 H 1 0.558 0.003 . 1 . . . . 32 THR HG2 . 17582 1 338 . 1 1 32 32 THR HG22 H 1 0.558 0.003 . 1 . . . . 32 THR HG2 . 17582 1 339 . 1 1 32 32 THR HG23 H 1 0.558 0.003 . 1 . . . . 32 THR HG2 . 17582 1 340 . 1 1 32 32 THR C C 13 175.029 0.000 . 1 . . . . 32 THR C . 17582 1 341 . 1 1 32 32 THR CA C 13 63.550 0.072 . 1 . . . . 32 THR CA . 17582 1 342 . 1 1 32 32 THR CB C 13 67.876 0.082 . 1 . . . . 32 THR CB . 17582 1 343 . 1 1 32 32 THR CG2 C 13 21.056 0.045 . 1 . . . . 32 THR CG2 . 17582 1 344 . 1 1 32 32 THR N N 15 110.239 0.033 . 1 . . . . 32 THR N . 17582 1 345 . 1 1 33 33 TYR H H 1 7.541 0.003 . 1 . . . . 33 TYR H . 17582 1 346 . 1 1 33 33 TYR HA H 1 4.398 0.008 . 1 . . . . 33 TYR HA . 17582 1 347 . 1 1 33 33 TYR HB2 H 1 3.180 0.010 . 2 . . . . 33 TYR HB2 . 17582 1 348 . 1 1 33 33 TYR HB3 H 1 2.569 0.006 . 2 . . . . 33 TYR HB3 . 17582 1 349 . 1 1 33 33 TYR HD1 H 1 7.002 0.005 . 3 . . . . 33 TYR HD1 . 17582 1 350 . 1 1 33 33 TYR C C 13 175.282 0.000 . 1 . . . . 33 TYR C . 17582 1 351 . 1 1 33 33 TYR CA C 13 59.251 0.067 . 1 . . . . 33 TYR CA . 17582 1 352 . 1 1 33 33 TYR CB C 13 39.277 0.047 . 1 . . . . 33 TYR CB . 17582 1 353 . 1 1 33 33 TYR CD1 C 13 131.890 0.058 . 3 . . . . 33 TYR CD1 . 17582 1 354 . 1 1 33 33 TYR N N 15 118.823 0.036 . 1 . . . . 33 TYR N . 17582 1 355 . 1 1 34 34 LEU H H 1 7.364 0.004 . 1 . . . . 34 LEU H . 17582 1 356 . 1 1 34 34 LEU HA H 1 4.764 0.006 . 1 . . . . 34 LEU HA . 17582 1 357 . 1 1 34 34 LEU HB2 H 1 1.876 0.011 . 2 . . . . 34 LEU HB2 . 17582 1 358 . 1 1 34 34 LEU HB3 H 1 1.595 0.007 . 2 . . . . 34 LEU HB3 . 17582 1 359 . 1 1 34 34 LEU HG H 1 1.640 0.005 . 1 . . . . 34 LEU HG . 17582 1 360 . 1 1 34 34 LEU HD11 H 1 0.819 0.005 . 2 . . . . 34 LEU HD1 . 17582 1 361 . 1 1 34 34 LEU HD12 H 1 0.819 0.005 . 2 . . . . 34 LEU HD1 . 17582 1 362 . 1 1 34 34 LEU HD13 H 1 0.819 0.005 . 2 . . . . 34 LEU HD1 . 17582 1 363 . 1 1 34 34 LEU HD21 H 1 0.642 0.005 . 2 . . . . 34 LEU HD2 . 17582 1 364 . 1 1 34 34 LEU HD22 H 1 0.642 0.005 . 2 . . . . 34 LEU HD2 . 17582 1 365 . 1 1 34 34 LEU HD23 H 1 0.642 0.005 . 2 . . . . 34 LEU HD2 . 17582 1 366 . 1 1 34 34 LEU C C 13 173.995 0.000 . 1 . . . . 34 LEU C . 17582 1 367 . 1 1 34 34 LEU CA C 13 54.998 0.094 . 1 . . . . 34 LEU CA . 17582 1 368 . 1 1 34 34 LEU CB C 13 43.368 0.091 . 1 . . . . 34 LEU CB . 17582 1 369 . 1 1 34 34 LEU CG C 13 26.658 0.043 . 1 . . . . 34 LEU CG . 17582 1 370 . 1 1 34 34 LEU CD1 C 13 26.263 0.043 . 2 . . . . 34 LEU CD1 . 17582 1 371 . 1 1 34 34 LEU CD2 C 13 27.681 0.068 . 2 . . . . 34 LEU CD2 . 17582 1 372 . 1 1 34 34 LEU N N 15 116.839 0.040 . 1 . . . . 34 LEU N . 17582 1 373 . 1 1 35 35 SER H H 1 9.142 0.002 . 1 . . . . 35 SER H . 17582 1 374 . 1 1 35 35 SER HA H 1 4.676 0.004 . 1 . . . . 35 SER HA . 17582 1 375 . 1 1 35 35 SER HB2 H 1 3.953 0.007 . 2 . . . . 35 SER HB2 . 17582 1 376 . 1 1 35 35 SER C C 13 174.223 0.000 . 1 . . . . 35 SER C . 17582 1 377 . 1 1 35 35 SER CA C 13 59.079 0.068 . 1 . . . . 35 SER CA . 17582 1 378 . 1 1 35 35 SER CB C 13 64.200 0.081 . 1 . . . . 35 SER CB . 17582 1 379 . 1 1 35 35 SER N N 15 117.960 0.016 . 1 . . . . 35 SER N . 17582 1 380 . 1 1 36 36 ARG H H 1 7.904 0.003 . 1 . . . . 36 ARG H . 17582 1 381 . 1 1 36 36 ARG HA H 1 4.843 0.009 . 1 . . . . 36 ARG HA . 17582 1 382 . 1 1 36 36 ARG HB2 H 1 1.866 0.000 . 2 . . . . 36 ARG HB2 . 17582 1 383 . 1 1 36 36 ARG HB3 H 1 1.690 0.062 . 2 . . . . 36 ARG HB3 . 17582 1 384 . 1 1 36 36 ARG HE H 1 7.380 0.003 . 1 . . . . 36 ARG HE . 17582 1 385 . 1 1 36 36 ARG C C 13 173.224 0.000 . 1 . . . . 36 ARG C . 17582 1 386 . 1 1 36 36 ARG CA C 13 54.720 0.053 . 1 . . . . 36 ARG CA . 17582 1 387 . 1 1 36 36 ARG CB C 13 32.467 0.028 . 1 . . . . 36 ARG CB . 17582 1 388 . 1 1 36 36 ARG CG C 13 26.848 0.006 . 1 . . . . 36 ARG CG . 17582 1 389 . 1 1 36 36 ARG CD C 13 43.684 0.014 . 1 . . . . 36 ARG CD . 17582 1 390 . 1 1 36 36 ARG N N 15 119.978 0.032 . 1 . . . . 36 ARG N . 17582 1 391 . 1 1 36 36 ARG NE N 15 84.957 0.021 . 1 . . . . 36 ARG NE . 17582 1 392 . 1 1 37 37 CYS H H 1 9.853 0.003 . 1 . . . . 37 CYS H . 17582 1 393 . 1 1 37 37 CYS HA H 1 5.249 0.006 . 1 . . . . 37 CYS HA . 17582 1 394 . 1 1 37 37 CYS HB2 H 1 2.774 0.010 . 2 . . . . 37 CYS HB2 . 17582 1 395 . 1 1 37 37 CYS HB3 H 1 2.647 0.005 . 2 . . . . 37 CYS HB3 . 17582 1 396 . 1 1 37 37 CYS C C 13 172.694 0.000 . 1 . . . . 37 CYS C . 17582 1 397 . 1 1 37 37 CYS CA C 13 57.855 0.045 . 1 . . . . 37 CYS CA . 17582 1 398 . 1 1 37 37 CYS CB C 13 29.094 0.094 . 1 . . . . 37 CYS CB . 17582 1 399 . 1 1 37 37 CYS N N 15 120.776 0.033 . 1 . . . . 37 CYS N . 17582 1 400 . 1 1 38 38 ASN H H 1 8.098 0.005 . 1 . . . . 38 ASN H . 17582 1 401 . 1 1 38 38 ASN HA H 1 5.302 0.008 . 1 . . . . 38 ASN HA . 17582 1 402 . 1 1 38 38 ASN HB2 H 1 2.794 0.010 . 2 . . . . 38 ASN HB2 . 17582 1 403 . 1 1 38 38 ASN HB3 H 1 2.334 0.007 . 2 . . . . 38 ASN HB3 . 17582 1 404 . 1 1 38 38 ASN C C 13 173.490 0.000 . 1 . . . . 38 ASN C . 17582 1 405 . 1 1 38 38 ASN CA C 13 53.211 0.046 . 1 . . . . 38 ASN CA . 17582 1 406 . 1 1 38 38 ASN CB C 13 43.188 0.107 . 1 . . . . 38 ASN CB . 17582 1 407 . 1 1 38 38 ASN N N 15 121.451 0.027 . 1 . . . . 38 ASN N . 17582 1 408 . 1 1 39 39 SER H H 1 8.207 0.003 . 1 . . . . 39 SER H . 17582 1 409 . 1 1 39 39 SER HA H 1 4.953 0.007 . 1 . . . . 39 SER HA . 17582 1 410 . 1 1 39 39 SER HB2 H 1 4.308 0.009 . 2 . . . . 39 SER HB2 . 17582 1 411 . 1 1 39 39 SER HB3 H 1 3.750 0.011 . 2 . . . . 39 SER HB3 . 17582 1 412 . 1 1 39 39 SER C C 13 173.184 0.000 . 1 . . . . 39 SER C . 17582 1 413 . 1 1 39 39 SER CA C 13 60.424 0.060 . 1 . . . . 39 SER CA . 17582 1 414 . 1 1 39 39 SER CB C 13 64.959 0.083 . 1 . . . . 39 SER CB . 17582 1 415 . 1 1 39 39 SER N N 15 107.722 0.028 . 1 . . . . 39 SER N . 17582 1 416 . 1 1 40 40 ILE H H 1 8.941 0.003 . 1 . . . . 40 ILE H . 17582 1 417 . 1 1 40 40 ILE HA H 1 5.331 0.005 . 1 . . . . 40 ILE HA . 17582 1 418 . 1 1 40 40 ILE HB H 1 1.164 0.009 . 1 . . . . 40 ILE HB . 17582 1 419 . 1 1 40 40 ILE HG12 H 1 1.438 0.014 . 2 . . . . 40 ILE HG12 . 17582 1 420 . 1 1 40 40 ILE HG13 H 1 0.676 0.014 . 2 . . . . 40 ILE HG13 . 17582 1 421 . 1 1 40 40 ILE HG21 H 1 0.267 0.007 . 1 . . . . 40 ILE HG2 . 17582 1 422 . 1 1 40 40 ILE HG22 H 1 0.267 0.007 . 1 . . . . 40 ILE HG2 . 17582 1 423 . 1 1 40 40 ILE HG23 H 1 0.267 0.007 . 1 . . . . 40 ILE HG2 . 17582 1 424 . 1 1 40 40 ILE HD11 H 1 -0.563 0.007 . 1 . . . . 40 ILE HD1 . 17582 1 425 . 1 1 40 40 ILE HD12 H 1 -0.563 0.007 . 1 . . . . 40 ILE HD1 . 17582 1 426 . 1 1 40 40 ILE HD13 H 1 -0.563 0.007 . 1 . . . . 40 ILE HD1 . 17582 1 427 . 1 1 40 40 ILE C C 13 176.130 0.000 . 1 . . . . 40 ILE C . 17582 1 428 . 1 1 40 40 ILE CA C 13 60.792 0.076 . 1 . . . . 40 ILE CA . 17582 1 429 . 1 1 40 40 ILE CB C 13 45.573 0.091 . 1 . . . . 40 ILE CB . 17582 1 430 . 1 1 40 40 ILE CG1 C 13 30.480 0.036 . 1 . . . . 40 ILE CG1 . 17582 1 431 . 1 1 40 40 ILE CG2 C 13 18.484 0.060 . 1 . . . . 40 ILE CG2 . 17582 1 432 . 1 1 40 40 ILE CD1 C 13 12.507 0.055 . 1 . . . . 40 ILE CD1 . 17582 1 433 . 1 1 40 40 ILE N N 15 119.119 0.034 . 1 . . . . 40 ILE N . 17582 1 434 . 1 1 41 41 LYS H H 1 8.580 0.003 . 1 . . . . 41 LYS H . 17582 1 435 . 1 1 41 41 LYS HA H 1 5.039 0.006 . 1 . . . . 41 LYS HA . 17582 1 436 . 1 1 41 41 LYS HB2 H 1 1.764 0.009 . 2 . . . . 41 LYS HB2 . 17582 1 437 . 1 1 41 41 LYS HB3 H 1 1.679 0.009 . 2 . . . . 41 LYS HB3 . 17582 1 438 . 1 1 41 41 LYS HG2 H 1 1.315 0.009 . 2 . . . . 41 LYS HG2 . 17582 1 439 . 1 1 41 41 LYS HG3 H 1 0.841 0.007 . 2 . . . . 41 LYS HG3 . 17582 1 440 . 1 1 41 41 LYS HD2 H 1 1.508 0.009 . 2 . . . . 41 LYS HD2 . 17582 1 441 . 1 1 41 41 LYS HD3 H 1 1.368 0.004 . 2 . . . . 41 LYS HD3 . 17582 1 442 . 1 1 41 41 LYS HE2 H 1 2.104 0.004 . 2 . . . . 41 LYS HE2 . 17582 1 443 . 1 1 41 41 LYS HE3 H 1 1.732 0.007 . 2 . . . . 41 LYS HE3 . 17582 1 444 . 1 1 41 41 LYS C C 13 174.480 0.000 . 1 . . . . 41 LYS C . 17582 1 445 . 1 1 41 41 LYS CA C 13 56.777 0.067 . 1 . . . . 41 LYS CA . 17582 1 446 . 1 1 41 41 LYS CB C 13 36.227 0.074 . 1 . . . . 41 LYS CB . 17582 1 447 . 1 1 41 41 LYS CG C 13 27.362 0.066 . 1 . . . . 41 LYS CG . 17582 1 448 . 1 1 41 41 LYS CD C 13 29.508 0.085 . 1 . . . . 41 LYS CD . 17582 1 449 . 1 1 41 41 LYS CE C 13 41.143 0.070 . 1 . . . . 41 LYS CE . 17582 1 450 . 1 1 41 41 LYS N N 15 124.456 0.032 . 1 . . . . 41 LYS N . 17582 1 451 . 1 1 42 42 VAL H H 1 9.275 0.004 . 1 . . . . 42 VAL H . 17582 1 452 . 1 1 42 42 VAL HA H 1 4.317 0.016 . 1 . . . . 42 VAL HA . 17582 1 453 . 1 1 42 42 VAL HB H 1 2.436 0.002 . 1 . . . . 42 VAL HB . 17582 1 454 . 1 1 42 42 VAL HG11 H 1 1.154 0.006 . 2 . . . . 42 VAL HG1 . 17582 1 455 . 1 1 42 42 VAL HG12 H 1 1.154 0.006 . 2 . . . . 42 VAL HG1 . 17582 1 456 . 1 1 42 42 VAL HG13 H 1 1.154 0.006 . 2 . . . . 42 VAL HG1 . 17582 1 457 . 1 1 42 42 VAL HG21 H 1 0.743 0.007 . 2 . . . . 42 VAL HG2 . 17582 1 458 . 1 1 42 42 VAL HG22 H 1 0.743 0.007 . 2 . . . . 42 VAL HG2 . 17582 1 459 . 1 1 42 42 VAL HG23 H 1 0.743 0.007 . 2 . . . . 42 VAL HG2 . 17582 1 460 . 1 1 42 42 VAL C C 13 176.065 0.000 . 1 . . . . 42 VAL C . 17582 1 461 . 1 1 42 42 VAL CA C 13 62.421 0.101 . 1 . . . . 42 VAL CA . 17582 1 462 . 1 1 42 42 VAL CB C 13 33.668 0.066 . 1 . . . . 42 VAL CB . 17582 1 463 . 1 1 42 42 VAL CG1 C 13 23.962 0.030 . 2 . . . . 42 VAL CG1 . 17582 1 464 . 1 1 42 42 VAL CG2 C 13 22.316 0.065 . 2 . . . . 42 VAL CG2 . 17582 1 465 . 1 1 42 42 VAL N N 15 125.923 0.031 . 1 . . . . 42 VAL N . 17582 1 466 . 1 1 43 43 GLU H H 1 8.996 0.005 . 1 . . . . 43 GLU H . 17582 1 467 . 1 1 43 43 GLU HA H 1 4.681 0.006 . 1 . . . . 43 GLU HA . 17582 1 468 . 1 1 43 43 GLU HB2 H 1 2.082 0.007 . 2 . . . . 43 GLU HB2 . 17582 1 469 . 1 1 43 43 GLU HB3 H 1 1.916 0.011 . 2 . . . . 43 GLU HB3 . 17582 1 470 . 1 1 43 43 GLU HG2 H 1 2.201 0.006 . 2 . . . . 43 GLU HG2 . 17582 1 471 . 1 1 43 43 GLU HG3 H 1 2.088 0.006 . 2 . . . . 43 GLU HG3 . 17582 1 472 . 1 1 43 43 GLU C C 13 177.366 0.000 . 1 . . . . 43 GLU C . 17582 1 473 . 1 1 43 43 GLU CA C 13 56.005 0.052 . 1 . . . . 43 GLU CA . 17582 1 474 . 1 1 43 43 GLU CB C 13 32.349 0.116 . 1 . . . . 43 GLU CB . 17582 1 475 . 1 1 43 43 GLU CG C 13 32.654 0.005 . 1 . . . . 43 GLU CG . 17582 1 476 . 1 1 43 43 GLU N N 15 127.757 0.034 . 1 . . . . 43 GLU N . 17582 1 477 . 1 1 44 44 GLY H H 1 8.621 0.003 . 1 . . . . 44 GLY H . 17582 1 478 . 1 1 44 44 GLY HA2 H 1 4.355 0.009 . 2 . . . . 44 GLY HA2 . 17582 1 479 . 1 1 44 44 GLY HA3 H 1 3.968 0.009 . 2 . . . . 44 GLY HA3 . 17582 1 480 . 1 1 44 44 GLY C C 13 172.833 0.000 . 1 . . . . 44 GLY C . 17582 1 481 . 1 1 44 44 GLY CA C 13 46.882 0.114 . 1 . . . . 44 GLY CA . 17582 1 482 . 1 1 44 44 GLY N N 15 109.997 0.028 . 1 . . . . 44 GLY N . 17582 1 483 . 1 1 45 45 GLY H H 1 7.727 0.003 . 1 . . . . 45 GLY H . 17582 1 484 . 1 1 45 45 GLY HA2 H 1 4.049 0.008 . 2 . . . . 45 GLY HA2 . 17582 1 485 . 1 1 45 45 GLY HA3 H 1 3.950 0.007 . 2 . . . . 45 GLY HA3 . 17582 1 486 . 1 1 45 45 GLY C C 13 169.878 0.000 . 1 . . . . 45 GLY C . 17582 1 487 . 1 1 45 45 GLY CA C 13 44.871 0.099 . 1 . . . . 45 GLY CA . 17582 1 488 . 1 1 45 45 GLY N N 15 109.487 0.025 . 1 . . . . 45 GLY N . 17582 1 489 . 1 1 46 46 THR H H 1 8.163 0.003 . 1 . . . . 46 THR H . 17582 1 490 . 1 1 46 46 THR HA H 1 4.847 0.008 . 1 . . . . 46 THR HA . 17582 1 491 . 1 1 46 46 THR HB H 1 3.677 0.006 . 1 . . . . 46 THR HB . 17582 1 492 . 1 1 46 46 THR HG21 H 1 0.904 0.005 . 1 . . . . 46 THR HG2 . 17582 1 493 . 1 1 46 46 THR HG22 H 1 0.904 0.005 . 1 . . . . 46 THR HG2 . 17582 1 494 . 1 1 46 46 THR HG23 H 1 0.904 0.005 . 1 . . . . 46 THR HG2 . 17582 1 495 . 1 1 46 46 THR C C 13 174.035 0.000 . 1 . . . . 46 THR C . 17582 1 496 . 1 1 46 46 THR CA C 13 62.297 0.112 . 1 . . . . 46 THR CA . 17582 1 497 . 1 1 46 46 THR CB C 13 69.677 0.095 . 1 . . . . 46 THR CB . 17582 1 498 . 1 1 46 46 THR CG2 C 13 22.227 0.068 . 1 . . . . 46 THR CG2 . 17582 1 499 . 1 1 46 46 THR N N 15 113.813 0.060 . 1 . . . . 46 THR N . 17582 1 500 . 1 1 47 47 TRP H H 1 8.598 0.002 . 1 . . . . 47 TRP H . 17582 1 501 . 1 1 47 47 TRP HA H 1 4.855 0.007 . 1 . . . . 47 TRP HA . 17582 1 502 . 1 1 47 47 TRP HB2 H 1 2.953 0.005 . 2 . . . . 47 TRP HB2 . 17582 1 503 . 1 1 47 47 TRP HB3 H 1 2.683 0.002 . 2 . . . . 47 TRP HB3 . 17582 1 504 . 1 1 47 47 TRP HD1 H 1 7.011 0.004 . 1 . . . . 47 TRP HD1 . 17582 1 505 . 1 1 47 47 TRP HE1 H 1 9.532 0.011 . 1 . . . . 47 TRP HE1 . 17582 1 506 . 1 1 47 47 TRP HE3 H 1 7.215 0.004 . 1 . . . . 47 TRP HE3 . 17582 1 507 . 1 1 47 47 TRP HZ2 H 1 7.005 0.004 . 1 . . . . 47 TRP HZ2 . 17582 1 508 . 1 1 47 47 TRP HZ3 H 1 6.866 0.002 . 1 . . . . 47 TRP HZ3 . 17582 1 509 . 1 1 47 47 TRP HH2 H 1 6.708 0.006 . 1 . . . . 47 TRP HH2 . 17582 1 510 . 1 1 47 47 TRP C C 13 173.309 0.000 . 1 . . . . 47 TRP C . 17582 1 511 . 1 1 47 47 TRP CA C 13 56.477 0.082 . 1 . . . . 47 TRP CA . 17582 1 512 . 1 1 47 47 TRP CB C 13 32.678 0.023 . 1 . . . . 47 TRP CB . 17582 1 513 . 1 1 47 47 TRP CD1 C 13 126.819 0.074 . 1 . . . . 47 TRP CD1 . 17582 1 514 . 1 1 47 47 TRP CE3 C 13 118.907 0.067 . 1 . . . . 47 TRP CE3 . 17582 1 515 . 1 1 47 47 TRP CZ2 C 13 113.935 0.022 . 1 . . . . 47 TRP CZ2 . 17582 1 516 . 1 1 47 47 TRP CZ3 C 13 122.521 0.046 . 1 . . . . 47 TRP CZ3 . 17582 1 517 . 1 1 47 47 TRP CH2 C 13 123.576 0.008 . 1 . . . . 47 TRP CH2 . 17582 1 518 . 1 1 47 47 TRP N N 15 126.854 0.042 . 1 . . . . 47 TRP N . 17582 1 519 . 1 1 47 47 TRP NE1 N 15 127.849 0.015 . 1 . . . . 47 TRP NE1 . 17582 1 520 . 1 1 48 48 ALA H H 1 9.585 0.023 . 1 . . . . 48 ALA H . 17582 1 521 . 1 1 48 48 ALA HA H 1 5.254 0.004 . 1 . . . . 48 ALA HA . 17582 1 522 . 1 1 48 48 ALA HB1 H 1 1.094 0.004 . 1 . . . . 48 ALA HB . 17582 1 523 . 1 1 48 48 ALA HB2 H 1 1.094 0.004 . 1 . . . . 48 ALA HB . 17582 1 524 . 1 1 48 48 ALA HB3 H 1 1.094 0.004 . 1 . . . . 48 ALA HB . 17582 1 525 . 1 1 48 48 ALA C C 13 176.507 0.000 . 1 . . . . 48 ALA C . 17582 1 526 . 1 1 48 48 ALA CA C 13 50.347 0.033 . 1 . . . . 48 ALA CA . 17582 1 527 . 1 1 48 48 ALA CB C 13 21.035 0.053 . 1 . . . . 48 ALA CB . 17582 1 528 . 1 1 48 48 ALA N N 15 124.327 0.015 . 1 . . . . 48 ALA N . 17582 1 529 . 1 1 49 49 VAL H H 1 9.029 0.003 . 1 . . . . 49 VAL H . 17582 1 530 . 1 1 49 49 VAL HA H 1 5.367 0.006 . 1 . . . . 49 VAL HA . 17582 1 531 . 1 1 49 49 VAL HB H 1 2.305 0.007 . 1 . . . . 49 VAL HB . 17582 1 532 . 1 1 49 49 VAL HG11 H 1 1.051 0.007 . 2 . . . . 49 VAL HG1 . 17582 1 533 . 1 1 49 49 VAL HG12 H 1 1.051 0.007 . 2 . . . . 49 VAL HG1 . 17582 1 534 . 1 1 49 49 VAL HG13 H 1 1.051 0.007 . 2 . . . . 49 VAL HG1 . 17582 1 535 . 1 1 49 49 VAL HG21 H 1 0.797 0.007 . 2 . . . . 49 VAL HG2 . 17582 1 536 . 1 1 49 49 VAL HG22 H 1 0.797 0.007 . 2 . . . . 49 VAL HG2 . 17582 1 537 . 1 1 49 49 VAL HG23 H 1 0.797 0.007 . 2 . . . . 49 VAL HG2 . 17582 1 538 . 1 1 49 49 VAL C C 13 173.630 0.000 . 1 . . . . 49 VAL C . 17582 1 539 . 1 1 49 49 VAL CA C 13 59.173 0.064 . 1 . . . . 49 VAL CA . 17582 1 540 . 1 1 49 49 VAL CB C 13 34.218 0.108 . 1 . . . . 49 VAL CB . 17582 1 541 . 1 1 49 49 VAL CG1 C 13 22.741 0.097 . 2 . . . . 49 VAL CG1 . 17582 1 542 . 1 1 49 49 VAL CG2 C 13 21.307 0.062 . 2 . . . . 49 VAL CG2 . 17582 1 543 . 1 1 49 49 VAL N N 15 116.673 0.022 . 1 . . . . 49 VAL N . 17582 1 544 . 1 1 50 50 TYR H H 1 8.823 0.004 . 1 . . . . 50 TYR H . 17582 1 545 . 1 1 50 50 TYR HA H 1 5.601 0.005 . 1 . . . . 50 TYR HA . 17582 1 546 . 1 1 50 50 TYR HB2 H 1 3.344 0.006 . 2 . . . . 50 TYR HB2 . 17582 1 547 . 1 1 50 50 TYR HB3 H 1 3.182 0.007 . 2 . . . . 50 TYR HB3 . 17582 1 548 . 1 1 50 50 TYR C C 13 176.553 0.000 . 1 . . . . 50 TYR C . 17582 1 549 . 1 1 50 50 TYR CA C 13 56.608 0.076 . 1 . . . . 50 TYR CA . 17582 1 550 . 1 1 50 50 TYR CB C 13 40.397 0.133 . 1 . . . . 50 TYR CB . 17582 1 551 . 1 1 50 50 TYR N N 15 118.921 0.034 . 1 . . . . 50 TYR N . 17582 1 552 . 1 1 51 51 GLU H H 1 9.691 0.009 . 1 . . . . 51 GLU H . 17582 1 553 . 1 1 51 51 GLU HA H 1 4.688 0.006 . 1 . . . . 51 GLU HA . 17582 1 554 . 1 1 51 51 GLU HB2 H 1 2.604 0.013 . 2 . . . . 51 GLU HB2 . 17582 1 555 . 1 1 51 51 GLU HB3 H 1 2.484 0.001 . 2 . . . . 51 GLU HB3 . 17582 1 556 . 1 1 51 51 GLU HG2 H 1 2.706 0.008 . 2 . . . . 51 GLU HG2 . 17582 1 557 . 1 1 51 51 GLU HG3 H 1 2.000 0.009 . 2 . . . . 51 GLU HG3 . 17582 1 558 . 1 1 51 51 GLU C C 13 176.580 0.000 . 1 . . . . 51 GLU C . 17582 1 559 . 1 1 51 51 GLU CA C 13 58.378 0.091 . 1 . . . . 51 GLU CA . 17582 1 560 . 1 1 51 51 GLU CB C 13 33.669 0.054 . 1 . . . . 51 GLU CB . 17582 1 561 . 1 1 51 51 GLU CG C 13 35.047 0.055 . 1 . . . . 51 GLU CG . 17582 1 562 . 1 1 51 51 GLU N N 15 124.275 0.061 . 1 . . . . 51 GLU N . 17582 1 563 . 1 1 52 52 ARG H H 1 8.257 0.002 . 1 . . . . 52 ARG H . 17582 1 564 . 1 1 52 52 ARG HA H 1 4.665 0.007 . 1 . . . . 52 ARG HA . 17582 1 565 . 1 1 52 52 ARG HB2 H 1 1.810 0.005 . 2 . . . . 52 ARG HB2 . 17582 1 566 . 1 1 52 52 ARG HB3 H 1 1.217 0.009 . 2 . . . . 52 ARG HB3 . 17582 1 567 . 1 1 52 52 ARG HG2 H 1 1.484 0.004 . 2 . . . . 52 ARG HG2 . 17582 1 568 . 1 1 52 52 ARG HG3 H 1 1.426 0.009 . 2 . . . . 52 ARG HG3 . 17582 1 569 . 1 1 52 52 ARG HD2 H 1 3.089 0.008 . 2 . . . . 52 ARG HD2 . 17582 1 570 . 1 1 52 52 ARG HD3 H 1 2.973 0.008 . 2 . . . . 52 ARG HD3 . 17582 1 571 . 1 1 52 52 ARG HE H 1 7.014 0.001 . 1 . . . . 52 ARG HE . 17582 1 572 . 1 1 52 52 ARG CA C 13 53.566 0.056 . 1 . . . . 52 ARG CA . 17582 1 573 . 1 1 52 52 ARG CB C 13 30.740 0.063 . 1 . . . . 52 ARG CB . 17582 1 574 . 1 1 52 52 ARG CG C 13 27.670 0.062 . 1 . . . . 52 ARG CG . 17582 1 575 . 1 1 52 52 ARG CD C 13 43.442 0.044 . 1 . . . . 52 ARG CD . 17582 1 576 . 1 1 52 52 ARG N N 15 114.145 0.024 . 1 . . . . 52 ARG N . 17582 1 577 . 1 1 52 52 ARG NE N 15 83.520 0.009 . 1 . . . . 52 ARG NE . 17582 1 578 . 1 1 53 53 PRO HA H 1 3.893 0.010 . 1 . . . . 53 PRO HA . 17582 1 579 . 1 1 53 53 PRO HB2 H 1 2.147 0.006 . 2 . . . . 53 PRO HB2 . 17582 1 580 . 1 1 53 53 PRO HB3 H 1 1.607 0.012 . 2 . . . . 53 PRO HB3 . 17582 1 581 . 1 1 53 53 PRO HG2 H 1 1.884 0.003 . 2 . . . . 53 PRO HG2 . 17582 1 582 . 1 1 53 53 PRO HD2 H 1 3.648 0.000 . 2 . . . . 53 PRO HD2 . 17582 1 583 . 1 1 53 53 PRO HD3 H 1 3.378 0.014 . 2 . . . . 53 PRO HD3 . 17582 1 584 . 1 1 53 53 PRO C C 13 174.972 0.000 . 1 . . . . 53 PRO C . 17582 1 585 . 1 1 53 53 PRO CA C 13 62.651 0.118 . 1 . . . . 53 PRO CA . 17582 1 586 . 1 1 53 53 PRO CB C 13 32.570 0.055 . 1 . . . . 53 PRO CB . 17582 1 587 . 1 1 53 53 PRO CD C 13 50.826 0.039 . 1 . . . . 53 PRO CD . 17582 1 588 . 1 1 54 54 ASN H H 1 9.914 0.005 . 1 . . . . 54 ASN H . 17582 1 589 . 1 1 54 54 ASN HA H 1 3.210 0.006 . 1 . . . . 54 ASN HA . 17582 1 590 . 1 1 54 54 ASN HB2 H 1 2.672 0.012 . 2 . . . . 54 ASN HB2 . 17582 1 591 . 1 1 54 54 ASN HB3 H 1 2.617 0.012 . 2 . . . . 54 ASN HB3 . 17582 1 592 . 1 1 54 54 ASN HD21 H 1 7.387 0.002 . 2 . . . . 54 ASN HD21 . 17582 1 593 . 1 1 54 54 ASN HD22 H 1 6.795 0.003 . 2 . . . . 54 ASN HD22 . 17582 1 594 . 1 1 54 54 ASN C C 13 173.792 0.000 . 1 . . . . 54 ASN C . 17582 1 595 . 1 1 54 54 ASN CA C 13 54.102 0.083 . 1 . . . . 54 ASN CA . 17582 1 596 . 1 1 54 54 ASN CB C 13 36.354 0.038 . 1 . . . . 54 ASN CB . 17582 1 597 . 1 1 54 54 ASN CG C 13 178.106 0.015 . 1 . . . . 54 ASN CG . 17582 1 598 . 1 1 54 54 ASN N N 15 113.991 0.017 . 1 . . . . 54 ASN N . 17582 1 599 . 1 1 54 54 ASN ND2 N 15 113.505 0.022 . 1 . . . . 54 ASN ND2 . 17582 1 600 . 1 1 55 55 PHE H H 1 7.379 0.003 . 1 . . . . 55 PHE H . 17582 1 601 . 1 1 55 55 PHE HA H 1 2.976 0.010 . 1 . . . . 55 PHE HA . 17582 1 602 . 1 1 55 55 PHE HB2 H 1 2.968 0.009 . 2 . . . . 55 PHE HB2 . 17582 1 603 . 1 1 55 55 PHE HB3 H 1 1.739 0.014 . 2 . . . . 55 PHE HB3 . 17582 1 604 . 1 1 55 55 PHE HD1 H 1 6.801 0.009 . 3 . . . . 55 PHE HD1 . 17582 1 605 . 1 1 55 55 PHE HE1 H 1 7.381 0.004 . 3 . . . . 55 PHE HE1 . 17582 1 606 . 1 1 55 55 PHE HZ H 1 7.180 0.005 . 1 . . . . 55 PHE HZ . 17582 1 607 . 1 1 55 55 PHE C C 13 173.939 0.000 . 1 . . . . 55 PHE C . 17582 1 608 . 1 1 55 55 PHE CA C 13 55.633 0.077 . 1 . . . . 55 PHE CA . 17582 1 609 . 1 1 55 55 PHE CB C 13 34.706 0.045 . 1 . . . . 55 PHE CB . 17582 1 610 . 1 1 55 55 PHE CD1 C 13 131.511 0.036 . 3 . . . . 55 PHE CD1 . 17582 1 611 . 1 1 55 55 PHE CE1 C 13 131.655 0.047 . 3 . . . . 55 PHE CE1 . 17582 1 612 . 1 1 55 55 PHE CZ C 13 128.239 0.017 . 1 . . . . 55 PHE CZ . 17582 1 613 . 1 1 55 55 PHE N N 15 112.195 0.024 . 1 . . . . 55 PHE N . 17582 1 614 . 1 1 56 56 ALA H H 1 6.339 0.004 . 1 . . . . 56 ALA H . 17582 1 615 . 1 1 56 56 ALA HA H 1 4.913 0.003 . 1 . . . . 56 ALA HA . 17582 1 616 . 1 1 56 56 ALA HB1 H 1 1.258 0.003 . 1 . . . . 56 ALA HB . 17582 1 617 . 1 1 56 56 ALA HB2 H 1 1.258 0.003 . 1 . . . . 56 ALA HB . 17582 1 618 . 1 1 56 56 ALA HB3 H 1 1.258 0.003 . 1 . . . . 56 ALA HB . 17582 1 619 . 1 1 56 56 ALA C C 13 176.089 0.000 . 1 . . . . 56 ALA C . 17582 1 620 . 1 1 56 56 ALA CA C 13 50.217 0.079 . 1 . . . . 56 ALA CA . 17582 1 621 . 1 1 56 56 ALA CB C 13 22.393 0.032 . 1 . . . . 56 ALA CB . 17582 1 622 . 1 1 56 56 ALA N N 15 121.479 0.023 . 1 . . . . 56 ALA N . 17582 1 623 . 1 1 57 57 GLY H H 1 8.431 0.004 . 1 . . . . 57 GLY H . 17582 1 624 . 1 1 57 57 GLY HA2 H 1 4.274 0.009 . 2 . . . . 57 GLY HA2 . 17582 1 625 . 1 1 57 57 GLY HA3 H 1 3.671 0.006 . 2 . . . . 57 GLY HA3 . 17582 1 626 . 1 1 57 57 GLY C C 13 174.301 0.000 . 1 . . . . 57 GLY C . 17582 1 627 . 1 1 57 57 GLY CA C 13 44.281 0.090 . 1 . . . . 57 GLY CA . 17582 1 628 . 1 1 57 57 GLY N N 15 105.330 0.022 . 1 . . . . 57 GLY N . 17582 1 629 . 1 1 58 58 TYR H H 1 8.226 0.006 . 1 . . . . 58 TYR H . 17582 1 630 . 1 1 58 58 TYR HA H 1 4.274 0.006 . 1 . . . . 58 TYR HA . 17582 1 631 . 1 1 58 58 TYR HB2 H 1 2.885 0.011 . 2 . . . . 58 TYR HB2 . 17582 1 632 . 1 1 58 58 TYR HD1 H 1 7.212 0.007 . 3 . . . . 58 TYR HD1 . 17582 1 633 . 1 1 58 58 TYR HD2 H 1 7.184 0.007 . 3 . . . . 58 TYR HD2 . 17582 1 634 . 1 1 58 58 TYR HE1 H 1 6.831 0.001 . 3 . . . . 58 TYR HE1 . 17582 1 635 . 1 1 58 58 TYR HE2 H 1 6.828 0.000 . 3 . . . . 58 TYR HE2 . 17582 1 636 . 1 1 58 58 TYR CA C 13 59.018 0.056 . 1 . . . . 58 TYR CA . 17582 1 637 . 1 1 58 58 TYR CB C 13 39.470 0.091 . 1 . . . . 58 TYR CB . 17582 1 638 . 1 1 58 58 TYR CD1 C 13 132.710 0.056 . 3 . . . . 58 TYR CD1 . 17582 1 639 . 1 1 58 58 TYR CD2 C 13 132.689 0.007 . 3 . . . . 58 TYR CD2 . 17582 1 640 . 1 1 58 58 TYR CE1 C 13 118.265 0.050 . 3 . . . . 58 TYR CE1 . 17582 1 641 . 1 1 58 58 TYR N N 15 121.156 0.050 . 1 . . . . 58 TYR N . 17582 1 642 . 1 1 60 60 TYR HA H 1 4.688 0.011 . 1 . . . . 60 TYR HA . 17582 1 643 . 1 1 60 60 TYR HB2 H 1 3.263 0.005 . 2 . . . . 60 TYR HB2 . 17582 1 644 . 1 1 60 60 TYR HB3 H 1 2.351 0.011 . 2 . . . . 60 TYR HB3 . 17582 1 645 . 1 1 60 60 TYR C C 13 174.538 0.000 . 1 . . . . 60 TYR C . 17582 1 646 . 1 1 60 60 TYR CA C 13 55.173 0.045 . 1 . . . . 60 TYR CA . 17582 1 647 . 1 1 60 60 TYR CB C 13 40.822 0.061 . 1 . . . . 60 TYR CB . 17582 1 648 . 1 1 61 61 ILE H H 1 8.226 0.005 . 1 . . . . 61 ILE H . 17582 1 649 . 1 1 61 61 ILE HA H 1 4.852 0.005 . 1 . . . . 61 ILE HA . 17582 1 650 . 1 1 61 61 ILE HB H 1 2.060 0.007 . 1 . . . . 61 ILE HB . 17582 1 651 . 1 1 61 61 ILE HG12 H 1 1.513 0.005 . 2 . . . . 61 ILE HG12 . 17582 1 652 . 1 1 61 61 ILE HG13 H 1 1.164 0.004 . 2 . . . . 61 ILE HG13 . 17582 1 653 . 1 1 61 61 ILE HG21 H 1 0.689 0.009 . 1 . . . . 61 ILE HG2 . 17582 1 654 . 1 1 61 61 ILE HG22 H 1 0.689 0.009 . 1 . . . . 61 ILE HG2 . 17582 1 655 . 1 1 61 61 ILE HG23 H 1 0.689 0.009 . 1 . . . . 61 ILE HG2 . 17582 1 656 . 1 1 61 61 ILE HD11 H 1 0.664 0.006 . 1 . . . . 61 ILE HD1 . 17582 1 657 . 1 1 61 61 ILE HD12 H 1 0.664 0.006 . 1 . . . . 61 ILE HD1 . 17582 1 658 . 1 1 61 61 ILE HD13 H 1 0.664 0.006 . 1 . . . . 61 ILE HD1 . 17582 1 659 . 1 1 61 61 ILE C C 13 175.771 0.000 . 1 . . . . 61 ILE C . 17582 1 660 . 1 1 61 61 ILE CA C 13 59.242 0.020 . 1 . . . . 61 ILE CA . 17582 1 661 . 1 1 61 61 ILE CB C 13 36.301 0.074 . 1 . . . . 61 ILE CB . 17582 1 662 . 1 1 61 61 ILE CG1 C 13 27.710 0.000 . 1 . . . . 61 ILE CG1 . 17582 1 663 . 1 1 61 61 ILE CG2 C 13 18.565 0.080 . 1 . . . . 61 ILE CG2 . 17582 1 664 . 1 1 61 61 ILE CD1 C 13 12.046 0.043 . 1 . . . . 61 ILE CD1 . 17582 1 665 . 1 1 61 61 ILE N N 15 122.975 0.029 . 1 . . . . 61 ILE N . 17582 1 666 . 1 1 62 62 LEU H H 1 9.655 0.005 . 1 . . . . 62 LEU H . 17582 1 667 . 1 1 62 62 LEU HA H 1 5.031 0.005 . 1 . . . . 62 LEU HA . 17582 1 668 . 1 1 62 62 LEU HB2 H 1 1.380 0.009 . 2 . . . . 62 LEU HB2 . 17582 1 669 . 1 1 62 62 LEU HG H 1 1.048 0.006 . 1 . . . . 62 LEU HG . 17582 1 670 . 1 1 62 62 LEU HD11 H 1 0.330 0.013 . 2 . . . . 62 LEU HD1 . 17582 1 671 . 1 1 62 62 LEU HD12 H 1 0.330 0.013 . 2 . . . . 62 LEU HD1 . 17582 1 672 . 1 1 62 62 LEU HD13 H 1 0.330 0.013 . 2 . . . . 62 LEU HD1 . 17582 1 673 . 1 1 62 62 LEU HD21 H 1 -0.260 0.009 . 2 . . . . 62 LEU HD2 . 17582 1 674 . 1 1 62 62 LEU HD22 H 1 -0.260 0.009 . 2 . . . . 62 LEU HD2 . 17582 1 675 . 1 1 62 62 LEU HD23 H 1 -0.260 0.009 . 2 . . . . 62 LEU HD2 . 17582 1 676 . 1 1 62 62 LEU CA C 13 53.326 0.036 . 1 . . . . 62 LEU CA . 17582 1 677 . 1 1 62 62 LEU CB C 13 44.650 0.062 . 1 . . . . 62 LEU CB . 17582 1 678 . 1 1 62 62 LEU CG C 13 29.765 0.067 . 1 . . . . 62 LEU CG . 17582 1 679 . 1 1 62 62 LEU CD1 C 13 26.468 0.054 . 2 . . . . 62 LEU CD1 . 17582 1 680 . 1 1 62 62 LEU CD2 C 13 26.672 0.046 . 2 . . . . 62 LEU CD2 . 17582 1 681 . 1 1 62 62 LEU N N 15 131.716 0.055 . 1 . . . . 62 LEU N . 17582 1 682 . 1 1 63 63 PRO HA H 1 4.968 0.008 . 1 . . . . 63 PRO HA . 17582 1 683 . 1 1 63 63 PRO HB2 H 1 2.476 0.008 . 2 . . . . 63 PRO HB2 . 17582 1 684 . 1 1 63 63 PRO HB3 H 1 2.020 0.007 . 2 . . . . 63 PRO HB3 . 17582 1 685 . 1 1 63 63 PRO HG2 H 1 2.005 0.012 . 2 . . . . 63 PRO HG2 . 17582 1 686 . 1 1 63 63 PRO HD2 H 1 4.163 0.007 . 2 . . . . 63 PRO HD2 . 17582 1 687 . 1 1 63 63 PRO HD3 H 1 3.653 0.006 . 2 . . . . 63 PRO HD3 . 17582 1 688 . 1 1 63 63 PRO C C 13 176.502 0.000 . 1 . . . . 63 PRO C . 17582 1 689 . 1 1 63 63 PRO CA C 13 61.456 0.067 . 1 . . . . 63 PRO CA . 17582 1 690 . 1 1 63 63 PRO CB C 13 33.390 0.022 . 1 . . . . 63 PRO CB . 17582 1 691 . 1 1 63 63 PRO CG C 13 27.428 0.091 . 1 . . . . 63 PRO CG . 17582 1 692 . 1 1 63 63 PRO CD C 13 51.106 0.043 . 1 . . . . 63 PRO CD . 17582 1 693 . 1 1 64 64 GLN H H 1 8.614 0.006 . 1 . . . . 64 GLN H . 17582 1 694 . 1 1 64 64 GLN HA H 1 4.008 0.006 . 1 . . . . 64 GLN HA . 17582 1 695 . 1 1 64 64 GLN HB2 H 1 2.140 0.008 . 2 . . . . 64 GLN HB2 . 17582 1 696 . 1 1 64 64 GLN HB3 H 1 2.019 0.005 . 2 . . . . 64 GLN HB3 . 17582 1 697 . 1 1 64 64 GLN HG2 H 1 2.440 0.006 . 2 . . . . 64 GLN HG2 . 17582 1 698 . 1 1 64 64 GLN HG3 H 1 2.342 0.005 . 2 . . . . 64 GLN HG3 . 17582 1 699 . 1 1 64 64 GLN HE21 H 1 7.596 0.003 . 2 . . . . 64 GLN HE21 . 17582 1 700 . 1 1 64 64 GLN HE22 H 1 6.905 0.004 . 2 . . . . 64 GLN HE22 . 17582 1 701 . 1 1 64 64 GLN C C 13 175.279 0.000 . 1 . . . . 64 GLN C . 17582 1 702 . 1 1 64 64 GLN CA C 13 57.434 0.052 . 1 . . . . 64 GLN CA . 17582 1 703 . 1 1 64 64 GLN CB C 13 29.147 0.073 . 1 . . . . 64 GLN CB . 17582 1 704 . 1 1 64 64 GLN CG C 13 33.637 0.049 . 1 . . . . 64 GLN CG . 17582 1 705 . 1 1 64 64 GLN CD C 13 180.336 0.008 . 1 . . . . 64 GLN CD . 17582 1 706 . 1 1 64 64 GLN N N 15 120.990 0.065 . 1 . . . . 64 GLN N . 17582 1 707 . 1 1 64 64 GLN NE2 N 15 112.086 0.022 . 1 . . . . 64 GLN NE2 . 17582 1 708 . 1 1 65 65 GLY H H 1 8.799 0.003 . 1 . . . . 65 GLY H . 17582 1 709 . 1 1 65 65 GLY HA2 H 1 4.232 0.012 . 2 . . . . 65 GLY HA2 . 17582 1 710 . 1 1 65 65 GLY HA3 H 1 3.893 0.009 . 2 . . . . 65 GLY HA3 . 17582 1 711 . 1 1 65 65 GLY C C 13 170.919 0.000 . 1 . . . . 65 GLY C . 17582 1 712 . 1 1 65 65 GLY CA C 13 44.606 0.104 . 1 . . . . 65 GLY CA . 17582 1 713 . 1 1 65 65 GLY N N 15 111.579 0.040 . 1 . . . . 65 GLY N . 17582 1 714 . 1 1 66 66 GLU H H 1 8.335 0.004 . 1 . . . . 66 GLU H . 17582 1 715 . 1 1 66 66 GLU HA H 1 4.794 0.006 . 1 . . . . 66 GLU HA . 17582 1 716 . 1 1 66 66 GLU HB2 H 1 1.957 0.009 . 2 . . . . 66 GLU HB2 . 17582 1 717 . 1 1 66 66 GLU HG2 H 1 2.244 0.008 . 2 . . . . 66 GLU HG2 . 17582 1 718 . 1 1 66 66 GLU HG3 H 1 1.843 0.004 . 2 . . . . 66 GLU HG3 . 17582 1 719 . 1 1 66 66 GLU C C 13 175.587 0.000 . 1 . . . . 66 GLU C . 17582 1 720 . 1 1 66 66 GLU CA C 13 55.736 0.094 . 1 . . . . 66 GLU CA . 17582 1 721 . 1 1 66 66 GLU CB C 13 31.618 0.058 . 1 . . . . 66 GLU CB . 17582 1 722 . 1 1 66 66 GLU CG C 13 35.988 0.081 . 1 . . . . 66 GLU CG . 17582 1 723 . 1 1 66 66 GLU N N 15 117.521 0.040 . 1 . . . . 66 GLU N . 17582 1 724 . 1 1 67 67 TYR H H 1 9.161 0.042 . 1 . . . . 67 TYR H . 17582 1 725 . 1 1 67 67 TYR HA H 1 5.138 0.006 . 1 . . . . 67 TYR HA . 17582 1 726 . 1 1 67 67 TYR HB2 H 1 3.783 0.010 . 2 . . . . 67 TYR HB2 . 17582 1 727 . 1 1 67 67 TYR HB3 H 1 3.235 0.008 . 2 . . . . 67 TYR HB3 . 17582 1 728 . 1 1 67 67 TYR HD1 H 1 7.057 0.004 . 3 . . . . 67 TYR HD1 . 17582 1 729 . 1 1 67 67 TYR HE1 H 1 6.860 0.007 . 3 . . . . 67 TYR HE1 . 17582 1 730 . 1 1 67 67 TYR CA C 13 55.603 0.031 . 1 . . . . 67 TYR CA . 17582 1 731 . 1 1 67 67 TYR CB C 13 40.201 0.163 . 1 . . . . 67 TYR CB . 17582 1 732 . 1 1 67 67 TYR CD1 C 13 133.688 0.060 . 3 . . . . 67 TYR CD1 . 17582 1 733 . 1 1 67 67 TYR CE1 C 13 117.682 0.078 . 3 . . . . 67 TYR CE1 . 17582 1 734 . 1 1 67 67 TYR N N 15 119.500 0.026 . 1 . . . . 67 TYR N . 17582 1 735 . 1 1 68 68 PRO HA H 1 3.640 0.008 . 1 . . . . 68 PRO HA . 17582 1 736 . 1 1 68 68 PRO HB2 H 1 2.126 0.008 . 2 . . . . 68 PRO HB2 . 17582 1 737 . 1 1 68 68 PRO HB3 H 1 2.072 0.003 . 2 . . . . 68 PRO HB3 . 17582 1 738 . 1 1 68 68 PRO HG2 H 1 2.203 0.008 . 2 . . . . 68 PRO HG2 . 17582 1 739 . 1 1 68 68 PRO HG3 H 1 1.928 0.007 . 2 . . . . 68 PRO HG3 . 17582 1 740 . 1 1 68 68 PRO HD2 H 1 3.925 0.011 . 2 . . . . 68 PRO HD2 . 17582 1 741 . 1 1 68 68 PRO HD3 H 1 3.844 0.007 . 2 . . . . 68 PRO HD3 . 17582 1 742 . 1 1 68 68 PRO C C 13 173.438 0.000 . 1 . . . . 68 PRO C . 17582 1 743 . 1 1 68 68 PRO CA C 13 65.185 0.084 . 1 . . . . 68 PRO CA . 17582 1 744 . 1 1 68 68 PRO CB C 13 32.472 0.021 . 1 . . . . 68 PRO CB . 17582 1 745 . 1 1 68 68 PRO CG C 13 27.173 0.117 . 1 . . . . 68 PRO CG . 17582 1 746 . 1 1 68 68 PRO CD C 13 51.749 0.058 . 1 . . . . 68 PRO CD . 17582 1 747 . 1 1 69 69 GLU H H 1 6.918 0.002 . 1 . . . . 69 GLU H . 17582 1 748 . 1 1 69 69 GLU HA H 1 5.390 0.009 . 1 . . . . 69 GLU HA . 17582 1 749 . 1 1 69 69 GLU HB2 H 1 2.187 0.004 . 2 . . . . 69 GLU HB2 . 17582 1 750 . 1 1 69 69 GLU HB3 H 1 1.768 0.014 . 2 . . . . 69 GLU HB3 . 17582 1 751 . 1 1 69 69 GLU HG2 H 1 2.079 0.008 . 2 . . . . 69 GLU HG2 . 17582 1 752 . 1 1 69 69 GLU HG3 H 1 1.940 0.009 . 2 . . . . 69 GLU HG3 . 17582 1 753 . 1 1 69 69 GLU C C 13 177.590 0.000 . 1 . . . . 69 GLU C . 17582 1 754 . 1 1 69 69 GLU CA C 13 54.511 0.075 . 1 . . . . 69 GLU CA . 17582 1 755 . 1 1 69 69 GLU CB C 13 32.834 0.077 . 1 . . . . 69 GLU CB . 17582 1 756 . 1 1 69 69 GLU CG C 13 35.986 0.066 . 1 . . . . 69 GLU CG . 17582 1 757 . 1 1 69 69 GLU N N 15 112.813 0.026 . 1 . . . . 69 GLU N . 17582 1 758 . 1 1 70 70 TYR H H 1 8.603 0.003 . 1 . . . . 70 TYR H . 17582 1 759 . 1 1 70 70 TYR HA H 1 1.192 0.011 . 1 . . . . 70 TYR HA . 17582 1 760 . 1 1 70 70 TYR HB2 H 1 2.336 0.006 . 2 . . . . 70 TYR HB2 . 17582 1 761 . 1 1 70 70 TYR HB3 H 1 2.204 0.014 . 2 . . . . 70 TYR HB3 . 17582 1 762 . 1 1 70 70 TYR C C 13 178.480 0.000 . 1 . . . . 70 TYR C . 17582 1 763 . 1 1 70 70 TYR CA C 13 58.165 0.049 . 1 . . . . 70 TYR CA . 17582 1 764 . 1 1 70 70 TYR CB C 13 38.278 0.064 . 1 . . . . 70 TYR CB . 17582 1 765 . 1 1 70 70 TYR N N 15 122.032 0.032 . 1 . . . . 70 TYR N . 17582 1 766 . 1 1 71 71 GLN H H 1 8.506 0.004 . 1 . . . . 71 GLN H . 17582 1 767 . 1 1 71 71 GLN HA H 1 3.790 0.007 . 1 . . . . 71 GLN HA . 17582 1 768 . 1 1 71 71 GLN HB2 H 1 1.744 0.021 . 2 . . . . 71 GLN HB2 . 17582 1 769 . 1 1 71 71 GLN HB3 H 1 1.753 0.028 . 2 . . . . 71 GLN HB3 . 17582 1 770 . 1 1 71 71 GLN HG2 H 1 2.426 0.006 . 2 . . . . 71 GLN HG2 . 17582 1 771 . 1 1 71 71 GLN HG3 H 1 2.058 0.008 . 2 . . . . 71 GLN HG3 . 17582 1 772 . 1 1 71 71 GLN HE21 H 1 7.148 0.002 . 2 . . . . 71 GLN HE21 . 17582 1 773 . 1 1 71 71 GLN HE22 H 1 6.218 0.006 . 2 . . . . 71 GLN HE22 . 17582 1 774 . 1 1 71 71 GLN C C 13 179.994 0.000 . 1 . . . . 71 GLN C . 17582 1 775 . 1 1 71 71 GLN CA C 13 59.370 0.095 . 1 . . . . 71 GLN CA . 17582 1 776 . 1 1 71 71 GLN CB C 13 26.915 0.067 . 1 . . . . 71 GLN CB . 17582 1 777 . 1 1 71 71 GLN CG C 13 34.289 0.104 . 1 . . . . 71 GLN CG . 17582 1 778 . 1 1 71 71 GLN CD C 13 179.625 0.009 . 1 . . . . 71 GLN CD . 17582 1 779 . 1 1 71 71 GLN N N 15 123.441 0.040 . 1 . . . . 71 GLN N . 17582 1 780 . 1 1 71 71 GLN NE2 N 15 109.360 0.032 . 1 . . . . 71 GLN NE2 . 17582 1 781 . 1 1 72 72 ARG H H 1 8.009 0.004 . 1 . . . . 72 ARG H . 17582 1 782 . 1 1 72 72 ARG HA H 1 4.381 0.005 . 1 . . . . 72 ARG HA . 17582 1 783 . 1 1 72 72 ARG HB2 H 1 2.545 0.011 . 2 . . . . 72 ARG HB2 . 17582 1 784 . 1 1 72 72 ARG HB3 H 1 2.422 0.008 . 2 . . . . 72 ARG HB3 . 17582 1 785 . 1 1 72 72 ARG HG2 H 1 1.887 0.010 . 2 . . . . 72 ARG HG2 . 17582 1 786 . 1 1 72 72 ARG HD2 H 1 3.414 0.006 . 2 . . . . 72 ARG HD2 . 17582 1 787 . 1 1 72 72 ARG HE H 1 7.711 0.003 . 1 . . . . 72 ARG HE . 17582 1 788 . 1 1 72 72 ARG C C 13 177.386 0.000 . 1 . . . . 72 ARG C . 17582 1 789 . 1 1 72 72 ARG CA C 13 56.207 0.050 . 1 . . . . 72 ARG CA . 17582 1 790 . 1 1 72 72 ARG CB C 13 29.221 0.068 . 1 . . . . 72 ARG CB . 17582 1 791 . 1 1 72 72 ARG CG C 13 27.821 0.085 . 1 . . . . 72 ARG CG . 17582 1 792 . 1 1 72 72 ARG CD C 13 41.260 0.024 . 1 . . . . 72 ARG CD . 17582 1 793 . 1 1 72 72 ARG N N 15 117.808 0.041 . 1 . . . . 72 ARG N . 17582 1 794 . 1 1 72 72 ARG NE N 15 83.134 0.006 . 1 . . . . 72 ARG NE . 17582 1 795 . 1 1 73 73 TRP H H 1 7.278 0.003 . 1 . . . . 73 TRP H . 17582 1 796 . 1 1 73 73 TRP HA H 1 5.310 0.008 . 1 . . . . 73 TRP HA . 17582 1 797 . 1 1 73 73 TRP HB2 H 1 3.457 0.005 . 2 . . . . 73 TRP HB2 . 17582 1 798 . 1 1 73 73 TRP HB3 H 1 2.560 0.007 . 2 . . . . 73 TRP HB3 . 17582 1 799 . 1 1 73 73 TRP HD1 H 1 6.046 0.004 . 1 . . . . 73 TRP HD1 . 17582 1 800 . 1 1 73 73 TRP HE1 H 1 10.012 0.013 . 1 . . . . 73 TRP HE1 . 17582 1 801 . 1 1 73 73 TRP HZ2 H 1 7.292 0.005 . 1 . . . . 73 TRP HZ2 . 17582 1 802 . 1 1 73 73 TRP HH2 H 1 6.700 0.005 . 1 . . . . 73 TRP HH2 . 17582 1 803 . 1 1 73 73 TRP C C 13 174.707 0.000 . 1 . . . . 73 TRP C . 17582 1 804 . 1 1 73 73 TRP CA C 13 56.788 0.059 . 1 . . . . 73 TRP CA . 17582 1 805 . 1 1 73 73 TRP CB C 13 27.501 0.083 . 1 . . . . 73 TRP CB . 17582 1 806 . 1 1 73 73 TRP CD1 C 13 128.545 0.042 . 1 . . . . 73 TRP CD1 . 17582 1 807 . 1 1 73 73 TRP CZ2 C 13 115.478 0.074 . 1 . . . . 73 TRP CZ2 . 17582 1 808 . 1 1 73 73 TRP CH2 C 13 123.102 0.028 . 1 . . . . 73 TRP CH2 . 17582 1 809 . 1 1 73 73 TRP N N 15 116.548 0.021 . 1 . . . . 73 TRP N . 17582 1 810 . 1 1 73 73 TRP NE1 N 15 130.129 0.026 . 1 . . . . 73 TRP NE1 . 17582 1 811 . 1 1 74 74 MET H H 1 7.640 0.004 . 1 . . . . 74 MET H . 17582 1 812 . 1 1 74 74 MET HA H 1 4.008 0.005 . 1 . . . . 74 MET HA . 17582 1 813 . 1 1 74 74 MET HB2 H 1 2.786 0.008 . 2 . . . . 74 MET HB2 . 17582 1 814 . 1 1 74 74 MET HB3 H 1 2.363 0.010 . 2 . . . . 74 MET HB3 . 17582 1 815 . 1 1 74 74 MET HG2 H 1 2.875 0.009 . 2 . . . . 74 MET HG2 . 17582 1 816 . 1 1 74 74 MET HG3 H 1 2.598 0.006 . 2 . . . . 74 MET HG3 . 17582 1 817 . 1 1 74 74 MET HE1 H 1 2.404 0.004 . 1 . . . . 74 MET HE . 17582 1 818 . 1 1 74 74 MET HE2 H 1 2.404 0.004 . 1 . . . . 74 MET HE . 17582 1 819 . 1 1 74 74 MET HE3 H 1 2.404 0.004 . 1 . . . . 74 MET HE . 17582 1 820 . 1 1 74 74 MET C C 13 176.312 0.000 . 1 . . . . 74 MET C . 17582 1 821 . 1 1 74 74 MET CA C 13 56.403 0.073 . 1 . . . . 74 MET CA . 17582 1 822 . 1 1 74 74 MET CB C 13 29.395 0.055 . 1 . . . . 74 MET CB . 17582 1 823 . 1 1 74 74 MET CG C 13 32.642 0.048 . 1 . . . . 74 MET CG . 17582 1 824 . 1 1 74 74 MET CE C 13 16.991 0.057 . 1 . . . . 74 MET CE . 17582 1 825 . 1 1 74 74 MET N N 15 113.086 0.045 . 1 . . . . 74 MET N . 17582 1 826 . 1 1 75 75 GLY H H 1 7.568 0.004 . 1 . . . . 75 GLY H . 17582 1 827 . 1 1 75 75 GLY HA2 H 1 3.636 0.007 . 2 . . . . 75 GLY HA2 . 17582 1 828 . 1 1 75 75 GLY HA3 H 1 2.838 0.007 . 2 . . . . 75 GLY HA3 . 17582 1 829 . 1 1 75 75 GLY CA C 13 45.971 0.100 . 1 . . . . 75 GLY CA . 17582 1 830 . 1 1 75 75 GLY N N 15 105.405 0.027 . 1 . . . . 75 GLY N . 17582 1 831 . 1 1 76 76 LEU HA H 1 4.312 0.006 . 1 . . . . 76 LEU HA . 17582 1 832 . 1 1 76 76 LEU HB2 H 1 1.456 0.006 . 2 . . . . 76 LEU HB2 . 17582 1 833 . 1 1 76 76 LEU HB3 H 1 1.289 0.006 . 2 . . . . 76 LEU HB3 . 17582 1 834 . 1 1 76 76 LEU HG H 1 1.636 0.009 . 1 . . . . 76 LEU HG . 17582 1 835 . 1 1 76 76 LEU HD11 H 1 0.731 0.007 . 2 . . . . 76 LEU HD1 . 17582 1 836 . 1 1 76 76 LEU HD12 H 1 0.731 0.007 . 2 . . . . 76 LEU HD1 . 17582 1 837 . 1 1 76 76 LEU HD13 H 1 0.731 0.007 . 2 . . . . 76 LEU HD1 . 17582 1 838 . 1 1 76 76 LEU HD21 H 1 0.594 0.005 . 2 . . . . 76 LEU HD2 . 17582 1 839 . 1 1 76 76 LEU HD22 H 1 0.594 0.005 . 2 . . . . 76 LEU HD2 . 17582 1 840 . 1 1 76 76 LEU HD23 H 1 0.594 0.005 . 2 . . . . 76 LEU HD2 . 17582 1 841 . 1 1 76 76 LEU C C 13 177.059 0.000 . 1 . . . . 76 LEU C . 17582 1 842 . 1 1 76 76 LEU CA C 13 55.870 0.089 . 1 . . . . 76 LEU CA . 17582 1 843 . 1 1 76 76 LEU CB C 13 42.637 0.070 . 1 . . . . 76 LEU CB . 17582 1 844 . 1 1 76 76 LEU CG C 13 28.322 0.076 . 1 . . . . 76 LEU CG . 17582 1 845 . 1 1 76 76 LEU CD1 C 13 23.542 0.054 . 2 . . . . 76 LEU CD1 . 17582 1 846 . 1 1 76 76 LEU CD2 C 13 24.133 0.052 . 2 . . . . 76 LEU CD2 . 17582 1 847 . 1 1 77 77 ASN H H 1 7.455 0.002 . 1 . . . . 77 ASN H . 17582 1 848 . 1 1 77 77 ASN HA H 1 3.660 0.007 . 1 . . . . 77 ASN HA . 17582 1 849 . 1 1 77 77 ASN HB2 H 1 3.272 0.012 . 2 . . . . 77 ASN HB2 . 17582 1 850 . 1 1 77 77 ASN HB3 H 1 2.915 0.012 . 2 . . . . 77 ASN HB3 . 17582 1 851 . 1 1 77 77 ASN HD21 H 1 7.899 0.002 . 2 . . . . 77 ASN HD21 . 17582 1 852 . 1 1 77 77 ASN HD22 H 1 7.282 0.002 . 2 . . . . 77 ASN HD22 . 17582 1 853 . 1 1 77 77 ASN C C 13 171.538 0.000 . 1 . . . . 77 ASN C . 17582 1 854 . 1 1 77 77 ASN CA C 13 51.214 0.061 . 1 . . . . 77 ASN CA . 17582 1 855 . 1 1 77 77 ASN CB C 13 37.654 0.069 . 1 . . . . 77 ASN CB . 17582 1 856 . 1 1 77 77 ASN N N 15 111.940 0.029 . 1 . . . . 77 ASN N . 17582 1 857 . 1 1 77 77 ASN ND2 N 15 115.558 0.056 . 1 . . . . 77 ASN ND2 . 17582 1 858 . 1 1 78 78 ASP H H 1 7.703 0.004 . 1 . . . . 78 ASP H . 17582 1 859 . 1 1 78 78 ASP HA H 1 4.480 0.007 . 1 . . . . 78 ASP HA . 17582 1 860 . 1 1 78 78 ASP HB2 H 1 3.168 0.010 . 2 . . . . 78 ASP HB2 . 17582 1 861 . 1 1 78 78 ASP HB3 H 1 2.499 0.011 . 2 . . . . 78 ASP HB3 . 17582 1 862 . 1 1 78 78 ASP C C 13 175.520 0.000 . 1 . . . . 78 ASP C . 17582 1 863 . 1 1 78 78 ASP CA C 13 52.370 0.065 . 1 . . . . 78 ASP CA . 17582 1 864 . 1 1 78 78 ASP CB C 13 39.536 0.094 . 1 . . . . 78 ASP CB . 17582 1 865 . 1 1 78 78 ASP N N 15 114.279 0.052 . 1 . . . . 78 ASP N . 17582 1 866 . 1 1 79 79 ARG H H 1 7.923 0.003 . 1 . . . . 79 ARG H . 17582 1 867 . 1 1 79 79 ARG HA H 1 4.682 0.009 . 1 . . . . 79 ARG HA . 17582 1 868 . 1 1 79 79 ARG HB2 H 1 1.882 0.010 . 2 . . . . 79 ARG HB2 . 17582 1 869 . 1 1 79 79 ARG HG2 H 1 1.667 0.005 . 2 . . . . 79 ARG HG2 . 17582 1 870 . 1 1 79 79 ARG HD2 H 1 3.226 0.002 . 2 . . . . 79 ARG HD2 . 17582 1 871 . 1 1 79 79 ARG HD3 H 1 3.188 0.003 . 2 . . . . 79 ARG HD3 . 17582 1 872 . 1 1 79 79 ARG HE H 1 7.304 0.002 . 1 . . . . 79 ARG HE . 17582 1 873 . 1 1 79 79 ARG C C 13 175.349 0.000 . 1 . . . . 79 ARG C . 17582 1 874 . 1 1 79 79 ARG CA C 13 55.778 0.087 . 1 . . . . 79 ARG CA . 17582 1 875 . 1 1 79 79 ARG CB C 13 30.636 0.084 . 1 . . . . 79 ARG CB . 17582 1 876 . 1 1 79 79 ARG CG C 13 26.933 0.100 . 1 . . . . 79 ARG CG . 17582 1 877 . 1 1 79 79 ARG CD C 13 43.428 0.002 . 1 . . . . 79 ARG CD . 17582 1 878 . 1 1 79 79 ARG N N 15 119.044 0.019 . 1 . . . . 79 ARG N . 17582 1 879 . 1 1 79 79 ARG NE N 15 85.255 0.012 . 1 . . . . 79 ARG NE . 17582 1 880 . 1 1 80 80 LEU H H 1 7.476 0.005 . 1 . . . . 80 LEU H . 17582 1 881 . 1 1 80 80 LEU HA H 1 5.033 0.018 . 1 . . . . 80 LEU HA . 17582 1 882 . 1 1 80 80 LEU HB2 H 1 1.549 0.011 . 2 . . . . 80 LEU HB2 . 17582 1 883 . 1 1 80 80 LEU HB3 H 1 1.332 0.004 . 2 . . . . 80 LEU HB3 . 17582 1 884 . 1 1 80 80 LEU HG H 1 1.776 0.007 . 1 . . . . 80 LEU HG . 17582 1 885 . 1 1 80 80 LEU HD11 H 1 1.187 0.008 . 2 . . . . 80 LEU HD1 . 17582 1 886 . 1 1 80 80 LEU HD12 H 1 1.187 0.008 . 2 . . . . 80 LEU HD1 . 17582 1 887 . 1 1 80 80 LEU HD13 H 1 1.187 0.008 . 2 . . . . 80 LEU HD1 . 17582 1 888 . 1 1 80 80 LEU HD21 H 1 0.860 0.006 . 2 . . . . 80 LEU HD2 . 17582 1 889 . 1 1 80 80 LEU HD22 H 1 0.860 0.006 . 2 . . . . 80 LEU HD2 . 17582 1 890 . 1 1 80 80 LEU HD23 H 1 0.860 0.006 . 2 . . . . 80 LEU HD2 . 17582 1 891 . 1 1 80 80 LEU C C 13 176.558 0.000 . 1 . . . . 80 LEU C . 17582 1 892 . 1 1 80 80 LEU CA C 13 54.690 0.083 . 1 . . . . 80 LEU CA . 17582 1 893 . 1 1 80 80 LEU CB C 13 48.331 0.095 . 1 . . . . 80 LEU CB . 17582 1 894 . 1 1 80 80 LEU CG C 13 27.218 0.071 . 1 . . . . 80 LEU CG . 17582 1 895 . 1 1 80 80 LEU CD1 C 13 23.830 0.090 . 2 . . . . 80 LEU CD1 . 17582 1 896 . 1 1 80 80 LEU CD2 C 13 27.862 0.081 . 2 . . . . 80 LEU CD2 . 17582 1 897 . 1 1 80 80 LEU N N 15 122.674 0.042 . 1 . . . . 80 LEU N . 17582 1 898 . 1 1 81 81 SER H H 1 8.881 0.005 . 1 . . . . 81 SER H . 17582 1 899 . 1 1 81 81 SER HA H 1 3.828 0.008 . 1 . . . . 81 SER HA . 17582 1 900 . 1 1 81 81 SER HB2 H 1 3.362 0.006 . 2 . . . . 81 SER HB2 . 17582 1 901 . 1 1 81 81 SER HB3 H 1 2.882 0.006 . 2 . . . . 81 SER HB3 . 17582 1 902 . 1 1 81 81 SER C C 13 170.803 0.000 . 1 . . . . 81 SER C . 17582 1 903 . 1 1 81 81 SER CA C 13 58.186 0.042 . 1 . . . . 81 SER CA . 17582 1 904 . 1 1 81 81 SER CB C 13 67.037 0.093 . 1 . . . . 81 SER CB . 17582 1 905 . 1 1 81 81 SER N N 15 109.238 0.032 . 1 . . . . 81 SER N . 17582 1 906 . 1 1 82 82 SER H H 1 7.553 0.003 . 1 . . . . 82 SER H . 17582 1 907 . 1 1 82 82 SER HA H 1 4.287 0.007 . 1 . . . . 82 SER HA . 17582 1 908 . 1 1 82 82 SER HB2 H 1 4.062 0.002 . 2 . . . . 82 SER HB2 . 17582 1 909 . 1 1 82 82 SER C C 13 174.065 0.000 . 1 . . . . 82 SER C . 17582 1 910 . 1 1 82 82 SER CA C 13 59.084 0.052 . 1 . . . . 82 SER CA . 17582 1 911 . 1 1 82 82 SER CB C 13 65.783 0.060 . 1 . . . . 82 SER CB . 17582 1 912 . 1 1 82 82 SER N N 15 109.806 0.031 . 1 . . . . 82 SER N . 17582 1 913 . 1 1 83 83 CYS H H 1 9.706 0.003 . 1 . . . . 83 CYS H . 17582 1 914 . 1 1 83 83 CYS HA H 1 6.429 0.015 . 1 . . . . 83 CYS HA . 17582 1 915 . 1 1 83 83 CYS HB2 H 1 3.737 0.004 . 2 . . . . 83 CYS HB2 . 17582 1 916 . 1 1 83 83 CYS HB3 H 1 3.648 0.015 . 2 . . . . 83 CYS HB3 . 17582 1 917 . 1 1 83 83 CYS C C 13 171.808 0.000 . 1 . . . . 83 CYS C . 17582 1 918 . 1 1 83 83 CYS CA C 13 56.630 0.084 . 1 . . . . 83 CYS CA . 17582 1 919 . 1 1 83 83 CYS CB C 13 32.563 0.063 . 1 . . . . 83 CYS CB . 17582 1 920 . 1 1 83 83 CYS N N 15 112.819 0.043 . 1 . . . . 83 CYS N . 17582 1 921 . 1 1 84 84 ARG H H 1 10.108 0.003 . 1 . . . . 84 ARG H . 17582 1 922 . 1 1 84 84 ARG HA H 1 4.935 0.005 . 1 . . . . 84 ARG HA . 17582 1 923 . 1 1 84 84 ARG HB2 H 1 1.668 0.008 . 2 . . . . 84 ARG HB2 . 17582 1 924 . 1 1 84 84 ARG HB3 H 1 1.575 0.003 . 2 . . . . 84 ARG HB3 . 17582 1 925 . 1 1 84 84 ARG HG2 H 1 1.297 0.012 . 2 . . . . 84 ARG HG2 . 17582 1 926 . 1 1 84 84 ARG HD2 H 1 2.333 0.006 . 2 . . . . 84 ARG HD2 . 17582 1 927 . 1 1 84 84 ARG HE H 1 6.573 0.001 . 1 . . . . 84 ARG HE . 17582 1 928 . 1 1 84 84 ARG C C 13 173.198 0.000 . 1 . . . . 84 ARG C . 17582 1 929 . 1 1 84 84 ARG CA C 13 55.061 0.067 . 1 . . . . 84 ARG CA . 17582 1 930 . 1 1 84 84 ARG CB C 13 34.240 0.055 . 1 . . . . 84 ARG CB . 17582 1 931 . 1 1 84 84 ARG CG C 13 27.355 0.108 . 1 . . . . 84 ARG CG . 17582 1 932 . 1 1 84 84 ARG CD C 13 43.267 0.043 . 1 . . . . 84 ARG CD . 17582 1 933 . 1 1 84 84 ARG N N 15 119.637 0.029 . 1 . . . . 84 ARG N . 17582 1 934 . 1 1 84 84 ARG NE N 15 83.418 0.015 . 1 . . . . 84 ARG NE . 17582 1 935 . 1 1 85 85 ALA H H 1 8.176 0.006 . 1 . . . . 85 ALA H . 17582 1 936 . 1 1 85 85 ALA HA H 1 3.112 0.007 . 1 . . . . 85 ALA HA . 17582 1 937 . 1 1 85 85 ALA HB1 H 1 0.139 0.007 . 1 . . . . 85 ALA HB . 17582 1 938 . 1 1 85 85 ALA HB2 H 1 0.139 0.007 . 1 . . . . 85 ALA HB . 17582 1 939 . 1 1 85 85 ALA HB3 H 1 0.139 0.007 . 1 . . . . 85 ALA HB . 17582 1 940 . 1 1 85 85 ALA C C 13 176.809 0.000 . 1 . . . . 85 ALA C . 17582 1 941 . 1 1 85 85 ALA CA C 13 51.456 0.092 . 1 . . . . 85 ALA CA . 17582 1 942 . 1 1 85 85 ALA CB C 13 17.409 0.070 . 1 . . . . 85 ALA CB . 17582 1 943 . 1 1 85 85 ALA N N 15 127.609 0.090 . 1 . . . . 85 ALA N . 17582 1 944 . 1 1 86 86 VAL H H 1 7.939 0.003 . 1 . . . . 86 VAL H . 17582 1 945 . 1 1 86 86 VAL HA H 1 3.676 0.004 . 1 . . . . 86 VAL HA . 17582 1 946 . 1 1 86 86 VAL HB H 1 1.538 0.008 . 1 . . . . 86 VAL HB . 17582 1 947 . 1 1 86 86 VAL HG11 H 1 0.699 0.019 . 2 . . . . 86 VAL HG1 . 17582 1 948 . 1 1 86 86 VAL HG12 H 1 0.699 0.019 . 2 . . . . 86 VAL HG1 . 17582 1 949 . 1 1 86 86 VAL HG13 H 1 0.699 0.019 . 2 . . . . 86 VAL HG1 . 17582 1 950 . 1 1 86 86 VAL HG21 H 1 0.614 0.006 . 2 . . . . 86 VAL HG2 . 17582 1 951 . 1 1 86 86 VAL HG22 H 1 0.614 0.006 . 2 . . . . 86 VAL HG2 . 17582 1 952 . 1 1 86 86 VAL HG23 H 1 0.614 0.006 . 2 . . . . 86 VAL HG2 . 17582 1 953 . 1 1 86 86 VAL C C 13 174.717 0.000 . 1 . . . . 86 VAL C . 17582 1 954 . 1 1 86 86 VAL CA C 13 62.021 0.099 . 1 . . . . 86 VAL CA . 17582 1 955 . 1 1 86 86 VAL CB C 13 31.660 0.098 . 1 . . . . 86 VAL CB . 17582 1 956 . 1 1 86 86 VAL CG1 C 13 21.443 0.091 . 2 . . . . 86 VAL CG1 . 17582 1 957 . 1 1 86 86 VAL CG2 C 13 21.337 0.024 . 2 . . . . 86 VAL CG2 . 17582 1 958 . 1 1 86 86 VAL N N 15 122.951 0.041 . 1 . . . . 86 VAL N . 17582 1 959 . 1 1 87 87 HIS H H 1 8.623 0.005 . 1 . . . . 87 HIS H . 17582 1 960 . 1 1 87 87 HIS HA H 1 4.667 0.005 . 1 . . . . 87 HIS HA . 17582 1 961 . 1 1 87 87 HIS HB2 H 1 3.056 0.004 . 2 . . . . 87 HIS HB2 . 17582 1 962 . 1 1 87 87 HIS HD2 H 1 7.176 0.006 . 1 . . . . 87 HIS HD2 . 17582 1 963 . 1 1 87 87 HIS HE1 H 1 8.488 0.002 . 1 . . . . 87 HIS HE1 . 17582 1 964 . 1 1 87 87 HIS C C 13 173.784 0.000 . 1 . . . . 87 HIS C . 17582 1 965 . 1 1 87 87 HIS CA C 13 54.092 0.079 . 1 . . . . 87 HIS CA . 17582 1 966 . 1 1 87 87 HIS CB C 13 28.498 0.031 . 1 . . . . 87 HIS CB . 17582 1 967 . 1 1 87 87 HIS CD2 C 13 119.990 0.071 . 1 . . . . 87 HIS CD2 . 17582 1 968 . 1 1 87 87 HIS CE1 C 13 136.206 0.059 . 1 . . . . 87 HIS CE1 . 17582 1 969 . 1 1 87 87 HIS N N 15 126.087 0.021 . 1 . . . . 87 HIS N . 17582 1 970 . 1 1 88 88 LEU H H 1 8.708 0.002 . 1 . . . . 88 LEU H . 17582 1 971 . 1 1 88 88 LEU HA H 1 4.552 0.006 . 1 . . . . 88 LEU HA . 17582 1 972 . 1 1 88 88 LEU HB2 H 1 1.600 0.010 . 2 . . . . 88 LEU HB2 . 17582 1 973 . 1 1 88 88 LEU HB3 H 1 1.474 0.009 . 2 . . . . 88 LEU HB3 . 17582 1 974 . 1 1 88 88 LEU HG H 1 1.593 0.007 . 1 . . . . 88 LEU HG . 17582 1 975 . 1 1 88 88 LEU HD11 H 1 0.798 0.010 . 2 . . . . 88 LEU HD1 . 17582 1 976 . 1 1 88 88 LEU HD12 H 1 0.798 0.010 . 2 . . . . 88 LEU HD1 . 17582 1 977 . 1 1 88 88 LEU HD13 H 1 0.798 0.010 . 2 . . . . 88 LEU HD1 . 17582 1 978 . 1 1 88 88 LEU HD21 H 1 0.728 0.005 . 2 . . . . 88 LEU HD2 . 17582 1 979 . 1 1 88 88 LEU HD22 H 1 0.728 0.005 . 2 . . . . 88 LEU HD2 . 17582 1 980 . 1 1 88 88 LEU HD23 H 1 0.728 0.005 . 2 . . . . 88 LEU HD2 . 17582 1 981 . 1 1 88 88 LEU CA C 13 52.434 0.045 . 1 . . . . 88 LEU CA . 17582 1 982 . 1 1 88 88 LEU CB C 13 41.228 0.081 . 1 . . . . 88 LEU CB . 17582 1 983 . 1 1 88 88 LEU CG C 13 27.265 0.090 . 1 . . . . 88 LEU CG . 17582 1 984 . 1 1 88 88 LEU CD1 C 13 25.124 0.028 . 2 . . . . 88 LEU CD1 . 17582 1 985 . 1 1 88 88 LEU CD2 C 13 23.497 0.059 . 2 . . . . 88 LEU CD2 . 17582 1 986 . 1 1 88 88 LEU N N 15 126.519 0.017 . 1 . . . . 88 LEU N . 17582 1 987 . 1 1 89 89 PRO HA H 1 4.525 0.004 . 1 . . . . 89 PRO HA . 17582 1 988 . 1 1 89 89 PRO HB2 H 1 2.270 0.004 . 2 . . . . 89 PRO HB2 . 17582 1 989 . 1 1 89 89 PRO HB3 H 1 2.007 0.005 . 2 . . . . 89 PRO HB3 . 17582 1 990 . 1 1 89 89 PRO HG2 H 1 1.904 0.006 . 2 . . . . 89 PRO HG2 . 17582 1 991 . 1 1 89 89 PRO HG3 H 1 1.822 0.007 . 2 . . . . 89 PRO HG3 . 17582 1 992 . 1 1 89 89 PRO HD2 H 1 3.674 0.005 . 2 . . . . 89 PRO HD2 . 17582 1 993 . 1 1 89 89 PRO HD3 H 1 3.618 0.004 . 2 . . . . 89 PRO HD3 . 17582 1 994 . 1 1 89 89 PRO C C 13 174.734 0.000 . 1 . . . . 89 PRO C . 17582 1 995 . 1 1 89 89 PRO CA C 13 62.188 0.081 . 1 . . . . 89 PRO CA . 17582 1 996 . 1 1 89 89 PRO CB C 13 32.179 0.078 . 1 . . . . 89 PRO CB . 17582 1 997 . 1 1 89 89 PRO CG C 13 27.401 0.029 . 1 . . . . 89 PRO CG . 17582 1 998 . 1 1 89 89 PRO CD C 13 49.942 0.022 . 1 . . . . 89 PRO CD . 17582 1 999 . 1 1 90 90 SER H H 1 8.688 0.009 . 1 . . . . 90 SER H . 17582 1 1000 . 1 1 90 90 SER HA H 1 4.384 0.008 . 1 . . . . 90 SER HA . 17582 1 1001 . 1 1 90 90 SER HB2 H 1 3.901 0.008 . 2 . . . . 90 SER HB2 . 17582 1 1002 . 1 1 90 90 SER HB3 H 1 3.853 0.006 . 2 . . . . 90 SER HB3 . 17582 1 1003 . 1 1 90 90 SER C C 13 176.005 0.000 . 1 . . . . 90 SER C . 17582 1 1004 . 1 1 90 90 SER CA C 13 59.092 0.049 . 1 . . . . 90 SER CA . 17582 1 1005 . 1 1 90 90 SER CB C 13 63.498 0.045 . 1 . . . . 90 SER CB . 17582 1 1006 . 1 1 90 90 SER N N 15 117.587 0.065 . 1 . . . . 90 SER N . 17582 1 1007 . 1 1 91 91 GLY H H 1 8.643 0.003 . 1 . . . . 91 GLY H . 17582 1 1008 . 1 1 91 91 GLY HA2 H 1 4.169 0.005 . 2 . . . . 91 GLY HA2 . 17582 1 1009 . 1 1 91 91 GLY HA3 H 1 3.890 0.011 . 2 . . . . 91 GLY HA3 . 17582 1 1010 . 1 1 91 91 GLY C C 13 175.548 0.000 . 1 . . . . 91 GLY C . 17582 1 1011 . 1 1 91 91 GLY CA C 13 45.758 0.077 . 1 . . . . 91 GLY CA . 17582 1 1012 . 1 1 91 91 GLY N N 15 111.321 0.025 . 1 . . . . 91 GLY N . 17582 1 1013 . 1 1 92 92 GLY H H 1 8.071 0.006 . 1 . . . . 92 GLY H . 17582 1 1014 . 1 1 92 92 GLY HA2 H 1 3.914 0.004 . 2 . . . . 92 GLY HA2 . 17582 1 1015 . 1 1 92 92 GLY C C 13 173.357 0.000 . 1 . . . . 92 GLY C . 17582 1 1016 . 1 1 92 92 GLY CA C 13 46.100 0.081 . 1 . . . . 92 GLY CA . 17582 1 1017 . 1 1 92 92 GLY N N 15 107.421 0.030 . 1 . . . . 92 GLY N . 17582 1 1018 . 1 1 93 93 GLN H H 1 7.815 0.003 . 1 . . . . 93 GLN H . 17582 1 1019 . 1 1 93 93 GLN HA H 1 4.480 0.004 . 1 . . . . 93 GLN HA . 17582 1 1020 . 1 1 93 93 GLN HB2 H 1 1.966 0.008 . 2 . . . . 93 GLN HB2 . 17582 1 1021 . 1 1 93 93 GLN HB3 H 1 1.789 0.012 . 2 . . . . 93 GLN HB3 . 17582 1 1022 . 1 1 93 93 GLN HG2 H 1 2.285 0.009 . 2 . . . . 93 GLN HG2 . 17582 1 1023 . 1 1 93 93 GLN HG3 H 1 2.236 0.006 . 2 . . . . 93 GLN HG3 . 17582 1 1024 . 1 1 93 93 GLN HE21 H 1 7.514 0.002 . 2 . . . . 93 GLN HE21 . 17582 1 1025 . 1 1 93 93 GLN HE22 H 1 6.873 0.003 . 2 . . . . 93 GLN HE22 . 17582 1 1026 . 1 1 93 93 GLN C C 13 174.285 0.000 . 1 . . . . 93 GLN C . 17582 1 1027 . 1 1 93 93 GLN CA C 13 54.923 0.074 . 1 . . . . 93 GLN CA . 17582 1 1028 . 1 1 93 93 GLN CB C 13 30.234 0.094 . 1 . . . . 93 GLN CB . 17582 1 1029 . 1 1 93 93 GLN CG C 13 33.918 0.018 . 1 . . . . 93 GLN CG . 17582 1 1030 . 1 1 93 93 GLN CD C 13 180.510 0.011 . 1 . . . . 93 GLN CD . 17582 1 1031 . 1 1 93 93 GLN N N 15 117.981 0.015 . 1 . . . . 93 GLN N . 17582 1 1032 . 1 1 93 93 GLN NE2 N 15 112.853 0.028 . 1 . . . . 93 GLN NE2 . 17582 1 1033 . 1 1 94 94 TYR H H 1 8.349 0.008 . 1 . . . . 94 TYR H . 17582 1 1034 . 1 1 94 94 TYR HA H 1 4.498 0.010 . 1 . . . . 94 TYR HA . 17582 1 1035 . 1 1 94 94 TYR HB2 H 1 2.778 0.002 . 2 . . . . 94 TYR HB2 . 17582 1 1036 . 1 1 94 94 TYR HB3 H 1 2.699 0.012 . 2 . . . . 94 TYR HB3 . 17582 1 1037 . 1 1 94 94 TYR HD1 H 1 6.646 0.003 . 3 . . . . 94 TYR HD1 . 17582 1 1038 . 1 1 94 94 TYR HE1 H 1 6.836 0.003 . 3 . . . . 94 TYR HE1 . 17582 1 1039 . 1 1 94 94 TYR CA C 13 56.401 0.054 . 1 . . . . 94 TYR CA . 17582 1 1040 . 1 1 94 94 TYR CB C 13 40.819 0.082 . 1 . . . . 94 TYR CB . 17582 1 1041 . 1 1 94 94 TYR CD1 C 13 133.165 0.047 . 3 . . . . 94 TYR CD1 . 17582 1 1042 . 1 1 94 94 TYR CE1 C 13 118.908 0.063 . 3 . . . . 94 TYR CE1 . 17582 1 1043 . 1 1 94 94 TYR N N 15 118.625 0.070 . 1 . . . . 94 TYR N . 17582 1 1044 . 1 1 95 95 LYS HA H 1 5.003 0.008 . 1 . . . . 95 LYS HA . 17582 1 1045 . 1 1 95 95 LYS HB2 H 1 2.075 0.005 . 2 . . . . 95 LYS HB2 . 17582 1 1046 . 1 1 95 95 LYS HB3 H 1 1.550 0.010 . 2 . . . . 95 LYS HB3 . 17582 1 1047 . 1 1 95 95 LYS HG2 H 1 1.271 0.009 . 2 . . . . 95 LYS HG2 . 17582 1 1048 . 1 1 95 95 LYS HD2 H 1 1.686 0.002 . 2 . . . . 95 LYS HD2 . 17582 1 1049 . 1 1 95 95 LYS HD3 H 1 1.541 0.004 . 2 . . . . 95 LYS HD3 . 17582 1 1050 . 1 1 95 95 LYS HE2 H 1 2.925 0.007 . 2 . . . . 95 LYS HE2 . 17582 1 1051 . 1 1 95 95 LYS HE3 H 1 2.759 0.006 . 2 . . . . 95 LYS HE3 . 17582 1 1052 . 1 1 95 95 LYS C C 13 172.959 0.000 . 1 . . . . 95 LYS C . 17582 1 1053 . 1 1 95 95 LYS CA C 13 57.988 0.088 . 1 . . . . 95 LYS CA . 17582 1 1054 . 1 1 95 95 LYS CB C 13 35.081 0.052 . 1 . . . . 95 LYS CB . 17582 1 1055 . 1 1 95 95 LYS CG C 13 25.212 0.060 . 1 . . . . 95 LYS CG . 17582 1 1056 . 1 1 95 95 LYS CD C 13 29.151 0.070 . 1 . . . . 95 LYS CD . 17582 1 1057 . 1 1 95 95 LYS CE C 13 41.540 0.088 . 1 . . . . 95 LYS CE . 17582 1 1058 . 1 1 96 96 ILE H H 1 9.036 0.004 . 1 . . . . 96 ILE H . 17582 1 1059 . 1 1 96 96 ILE HA H 1 4.835 0.010 . 1 . . . . 96 ILE HA . 17582 1 1060 . 1 1 96 96 ILE HB H 1 0.043 0.008 . 1 . . . . 96 ILE HB . 17582 1 1061 . 1 1 96 96 ILE HG12 H 1 0.895 0.004 . 2 . . . . 96 ILE HG12 . 17582 1 1062 . 1 1 96 96 ILE HG13 H 1 0.148 0.009 . 2 . . . . 96 ILE HG13 . 17582 1 1063 . 1 1 96 96 ILE HG21 H 1 -0.435 0.009 . 1 . . . . 96 ILE HG2 . 17582 1 1064 . 1 1 96 96 ILE HG22 H 1 -0.435 0.009 . 1 . . . . 96 ILE HG2 . 17582 1 1065 . 1 1 96 96 ILE HG23 H 1 -0.435 0.009 . 1 . . . . 96 ILE HG2 . 17582 1 1066 . 1 1 96 96 ILE HD11 H 1 -0.561 0.004 . 1 . . . . 96 ILE HD1 . 17582 1 1067 . 1 1 96 96 ILE HD12 H 1 -0.561 0.004 . 1 . . . . 96 ILE HD1 . 17582 1 1068 . 1 1 96 96 ILE HD13 H 1 -0.561 0.004 . 1 . . . . 96 ILE HD1 . 17582 1 1069 . 1 1 96 96 ILE CA C 13 59.333 0.057 . 1 . . . . 96 ILE CA . 17582 1 1070 . 1 1 96 96 ILE CB C 13 42.864 0.108 . 1 . . . . 96 ILE CB . 17582 1 1071 . 1 1 96 96 ILE CG1 C 13 28.654 0.054 . 1 . . . . 96 ILE CG1 . 17582 1 1072 . 1 1 96 96 ILE CG2 C 13 15.069 0.022 . 1 . . . . 96 ILE CG2 . 17582 1 1073 . 1 1 96 96 ILE CD1 C 13 13.085 0.066 . 1 . . . . 96 ILE CD1 . 17582 1 1074 . 1 1 96 96 ILE N N 15 128.724 0.031 . 1 . . . . 96 ILE N . 17582 1 1075 . 1 1 97 97 GLN HA H 1 5.147 0.005 . 1 . . . . 97 GLN HA . 17582 1 1076 . 1 1 97 97 GLN HB2 H 1 2.014 0.010 . 2 . . . . 97 GLN HB2 . 17582 1 1077 . 1 1 97 97 GLN HB3 H 1 1.483 0.007 . 2 . . . . 97 GLN HB3 . 17582 1 1078 . 1 1 97 97 GLN HG2 H 1 2.164 0.012 . 2 . . . . 97 GLN HG2 . 17582 1 1079 . 1 1 97 97 GLN HE21 H 1 7.901 0.005 . 2 . . . . 97 GLN HE21 . 17582 1 1080 . 1 1 97 97 GLN HE22 H 1 6.401 0.007 . 2 . . . . 97 GLN HE22 . 17582 1 1081 . 1 1 97 97 GLN CA C 13 53.513 0.039 . 1 . . . . 97 GLN CA . 17582 1 1082 . 1 1 97 97 GLN CB C 13 31.036 0.083 . 1 . . . . 97 GLN CB . 17582 1 1083 . 1 1 97 97 GLN CG C 13 33.776 0.059 . 1 . . . . 97 GLN CG . 17582 1 1084 . 1 1 97 97 GLN NE2 N 15 109.334 0.078 . 1 . . . . 97 GLN NE2 . 17582 1 1085 . 1 1 98 98 ILE HA H 1 4.762 0.003 . 1 . . . . 98 ILE HA . 17582 1 1086 . 1 1 98 98 ILE HB H 1 1.705 0.013 . 1 . . . . 98 ILE HB . 17582 1 1087 . 1 1 98 98 ILE HG12 H 1 1.364 0.016 . 2 . . . . 98 ILE HG12 . 17582 1 1088 . 1 1 98 98 ILE HG13 H 1 0.723 0.011 . 2 . . . . 98 ILE HG13 . 17582 1 1089 . 1 1 98 98 ILE HG21 H 1 0.418 0.003 . 1 . . . . 98 ILE HG2 . 17582 1 1090 . 1 1 98 98 ILE HG22 H 1 0.418 0.003 . 1 . . . . 98 ILE HG2 . 17582 1 1091 . 1 1 98 98 ILE HG23 H 1 0.418 0.003 . 1 . . . . 98 ILE HG2 . 17582 1 1092 . 1 1 98 98 ILE HD11 H 1 0.302 0.008 . 1 . . . . 98 ILE HD1 . 17582 1 1093 . 1 1 98 98 ILE HD12 H 1 0.302 0.008 . 1 . . . . 98 ILE HD1 . 17582 1 1094 . 1 1 98 98 ILE HD13 H 1 0.302 0.008 . 1 . . . . 98 ILE HD1 . 17582 1 1095 . 1 1 98 98 ILE C C 13 173.271 0.000 . 1 . . . . 98 ILE C . 17582 1 1096 . 1 1 98 98 ILE CA C 13 59.633 0.052 . 1 . . . . 98 ILE CA . 17582 1 1097 . 1 1 98 98 ILE CB C 13 40.701 0.089 . 1 . . . . 98 ILE CB . 17582 1 1098 . 1 1 98 98 ILE CG1 C 13 25.430 0.078 . 1 . . . . 98 ILE CG1 . 17582 1 1099 . 1 1 98 98 ILE CG2 C 13 18.167 0.016 . 1 . . . . 98 ILE CG2 . 17582 1 1100 . 1 1 98 98 ILE CD1 C 13 12.863 0.027 . 1 . . . . 98 ILE CD1 . 17582 1 1101 . 1 1 99 99 PHE H H 1 8.081 0.004 . 1 . . . . 99 PHE H . 17582 1 1102 . 1 1 99 99 PHE HA H 1 5.497 0.004 . 1 . . . . 99 PHE HA . 17582 1 1103 . 1 1 99 99 PHE HB2 H 1 3.382 0.006 . 2 . . . . 99 PHE HB2 . 17582 1 1104 . 1 1 99 99 PHE HD1 H 1 6.685 0.002 . 3 . . . . 99 PHE HD1 . 17582 1 1105 . 1 1 99 99 PHE HE1 H 1 6.411 0.007 . 3 . . . . 99 PHE HE1 . 17582 1 1106 . 1 1 99 99 PHE HZ H 1 5.573 0.004 . 1 . . . . 99 PHE HZ . 17582 1 1107 . 1 1 99 99 PHE C C 13 176.536 0.000 . 1 . . . . 99 PHE C . 17582 1 1108 . 1 1 99 99 PHE CA C 13 56.808 0.069 . 1 . . . . 99 PHE CA . 17582 1 1109 . 1 1 99 99 PHE CB C 13 41.399 0.058 . 1 . . . . 99 PHE CB . 17582 1 1110 . 1 1 99 99 PHE CD1 C 13 131.581 0.034 . 3 . . . . 99 PHE CD1 . 17582 1 1111 . 1 1 99 99 PHE CZ C 13 128.445 0.049 . 1 . . . . 99 PHE CZ . 17582 1 1112 . 1 1 99 99 PHE N N 15 117.168 0.038 . 1 . . . . 99 PHE N . 17582 1 1113 . 1 1 100 100 GLU H H 1 8.932 0.003 . 1 . . . . 100 GLU H . 17582 1 1114 . 1 1 100 100 GLU HA H 1 4.357 0.006 . 1 . . . . 100 GLU HA . 17582 1 1115 . 1 1 100 100 GLU HB2 H 1 2.449 0.006 . 2 . . . . 100 GLU HB2 . 17582 1 1116 . 1 1 100 100 GLU HB3 H 1 2.309 0.012 . 2 . . . . 100 GLU HB3 . 17582 1 1117 . 1 1 100 100 GLU HG2 H 1 2.686 0.008 . 2 . . . . 100 GLU HG2 . 17582 1 1118 . 1 1 100 100 GLU HG3 H 1 2.346 0.008 . 2 . . . . 100 GLU HG3 . 17582 1 1119 . 1 1 100 100 GLU C C 13 176.201 0.000 . 1 . . . . 100 GLU C . 17582 1 1120 . 1 1 100 100 GLU CA C 13 58.002 0.079 . 1 . . . . 100 GLU CA . 17582 1 1121 . 1 1 100 100 GLU CB C 13 33.113 0.059 . 1 . . . . 100 GLU CB . 17582 1 1122 . 1 1 100 100 GLU CG C 13 35.843 0.068 . 1 . . . . 100 GLU CG . 17582 1 1123 . 1 1 100 100 GLU N N 15 121.272 0.020 . 1 . . . . 100 GLU N . 17582 1 1124 . 1 1 101 101 LYS H H 1 7.868 0.002 . 1 . . . . 101 LYS H . 17582 1 1125 . 1 1 101 101 LYS HA H 1 4.499 0.008 . 1 . . . . 101 LYS HA . 17582 1 1126 . 1 1 101 101 LYS HB2 H 1 1.782 0.011 . 2 . . . . 101 LYS HB2 . 17582 1 1127 . 1 1 101 101 LYS HB3 H 1 1.472 0.018 . 2 . . . . 101 LYS HB3 . 17582 1 1128 . 1 1 101 101 LYS HG2 H 1 1.294 0.006 . 2 . . . . 101 LYS HG2 . 17582 1 1129 . 1 1 101 101 LYS HG3 H 1 1.182 0.008 . 2 . . . . 101 LYS HG3 . 17582 1 1130 . 1 1 101 101 LYS HD2 H 1 1.609 0.011 . 2 . . . . 101 LYS HD2 . 17582 1 1131 . 1 1 101 101 LYS HD3 H 1 1.452 0.009 . 2 . . . . 101 LYS HD3 . 17582 1 1132 . 1 1 101 101 LYS HE2 H 1 2.910 0.002 . 2 . . . . 101 LYS HE2 . 17582 1 1133 . 1 1 101 101 LYS C C 13 176.135 0.000 . 1 . . . . 101 LYS C . 17582 1 1134 . 1 1 101 101 LYS CA C 13 54.142 0.053 . 1 . . . . 101 LYS CA . 17582 1 1135 . 1 1 101 101 LYS CB C 13 35.732 0.095 . 1 . . . . 101 LYS CB . 17582 1 1136 . 1 1 101 101 LYS CG C 13 25.838 0.087 . 1 . . . . 101 LYS CG . 17582 1 1137 . 1 1 101 101 LYS CD C 13 29.173 0.083 . 1 . . . . 101 LYS CD . 17582 1 1138 . 1 1 101 101 LYS N N 15 112.876 0.024 . 1 . . . . 101 LYS N . 17582 1 1139 . 1 1 102 102 GLY H H 1 8.596 0.003 . 1 . . . . 102 GLY H . 17582 1 1140 . 1 1 102 102 GLY HA2 H 1 3.833 0.007 . 2 . . . . 102 GLY HA2 . 17582 1 1141 . 1 1 102 102 GLY HA3 H 1 3.784 0.007 . 2 . . . . 102 GLY HA3 . 17582 1 1142 . 1 1 102 102 GLY CA C 13 44.843 0.058 . 1 . . . . 102 GLY CA . 17582 1 1143 . 1 1 102 102 GLY N N 15 106.332 0.033 . 1 . . . . 102 GLY N . 17582 1 1144 . 1 1 103 103 ASP H H 1 7.887 0.004 . 1 . . . . 103 ASP H . 17582 1 1145 . 1 1 103 103 ASP HA H 1 3.075 0.004 . 1 . . . . 103 ASP HA . 17582 1 1146 . 1 1 103 103 ASP HB2 H 1 2.607 0.010 . 2 . . . . 103 ASP HB2 . 17582 1 1147 . 1 1 103 103 ASP HB3 H 1 2.391 0.013 . 2 . . . . 103 ASP HB3 . 17582 1 1148 . 1 1 103 103 ASP C C 13 173.930 0.000 . 1 . . . . 103 ASP C . 17582 1 1149 . 1 1 103 103 ASP CA C 13 55.929 0.032 . 1 . . . . 103 ASP CA . 17582 1 1150 . 1 1 103 103 ASP CB C 13 38.956 0.069 . 1 . . . . 103 ASP CB . 17582 1 1151 . 1 1 104 104 PHE H H 1 7.913 0.009 . 1 . . . . 104 PHE H . 17582 1 1152 . 1 1 104 104 PHE HA H 1 2.574 0.011 . 1 . . . . 104 PHE HA . 17582 1 1153 . 1 1 104 104 PHE HB2 H 1 2.954 0.003 . 2 . . . . 104 PHE HB2 . 17582 1 1154 . 1 1 104 104 PHE HB3 H 1 2.070 0.003 . 2 . . . . 104 PHE HB3 . 17582 1 1155 . 1 1 104 104 PHE HD1 H 1 6.605 0.004 . 3 . . . . 104 PHE HD1 . 17582 1 1156 . 1 1 104 104 PHE HE1 H 1 7.231 0.007 . 3 . . . . 104 PHE HE1 . 17582 1 1157 . 1 1 104 104 PHE HZ H 1 6.889 0.001 . 1 . . . . 104 PHE HZ . 17582 1 1158 . 1 1 104 104 PHE C C 13 174.965 0.000 . 1 . . . . 104 PHE C . 17582 1 1159 . 1 1 104 104 PHE CA C 13 55.149 0.097 . 1 . . . . 104 PHE CA . 17582 1 1160 . 1 1 104 104 PHE CB C 13 35.453 0.024 . 1 . . . . 104 PHE CB . 17582 1 1161 . 1 1 104 104 PHE CD1 C 13 131.341 0.034 . 3 . . . . 104 PHE CD1 . 17582 1 1162 . 1 1 104 104 PHE CE1 C 13 131.554 0.030 . 3 . . . . 104 PHE CE1 . 17582 1 1163 . 1 1 104 104 PHE CZ C 13 128.110 0.000 . 1 . . . . 104 PHE CZ . 17582 1 1164 . 1 1 104 104 PHE N N 15 111.416 0.045 . 1 . . . . 104 PHE N . 17582 1 1165 . 1 1 105 105 SER H H 1 6.474 0.002 . 1 . . . . 105 SER H . 17582 1 1166 . 1 1 105 105 SER HA H 1 4.892 0.006 . 1 . . . . 105 SER HA . 17582 1 1167 . 1 1 105 105 SER HB2 H 1 3.775 0.008 . 2 . . . . 105 SER HB2 . 17582 1 1168 . 1 1 105 105 SER HB3 H 1 3.742 0.003 . 2 . . . . 105 SER HB3 . 17582 1 1169 . 1 1 105 105 SER C C 13 173.011 0.000 . 1 . . . . 105 SER C . 17582 1 1170 . 1 1 105 105 SER CA C 13 56.953 0.089 . 1 . . . . 105 SER CA . 17582 1 1171 . 1 1 105 105 SER CB C 13 65.617 0.079 . 1 . . . . 105 SER CB . 17582 1 1172 . 1 1 105 105 SER N N 15 113.343 0.017 . 1 . . . . 105 SER N . 17582 1 1173 . 1 1 106 106 GLY H H 1 8.372 0.002 . 1 . . . . 106 GLY H . 17582 1 1174 . 1 1 106 106 GLY HA2 H 1 4.102 0.009 . 2 . . . . 106 GLY HA2 . 17582 1 1175 . 1 1 106 106 GLY HA3 H 1 3.857 0.010 . 2 . . . . 106 GLY HA3 . 17582 1 1176 . 1 1 106 106 GLY C C 13 173.076 0.000 . 1 . . . . 106 GLY C . 17582 1 1177 . 1 1 106 106 GLY CA C 13 44.224 0.090 . 1 . . . . 106 GLY CA . 17582 1 1178 . 1 1 106 106 GLY N N 15 106.215 0.043 . 1 . . . . 106 GLY N . 17582 1 1179 . 1 1 107 107 GLN H H 1 8.768 0.003 . 1 . . . . 107 GLN H . 17582 1 1180 . 1 1 107 107 GLN HA H 1 3.864 0.006 . 1 . . . . 107 GLN HA . 17582 1 1181 . 1 1 107 107 GLN HB2 H 1 2.044 0.005 . 2 . . . . 107 GLN HB2 . 17582 1 1182 . 1 1 107 107 GLN HB3 H 1 1.855 0.008 . 2 . . . . 107 GLN HB3 . 17582 1 1183 . 1 1 107 107 GLN HG2 H 1 2.358 0.005 . 2 . . . . 107 GLN HG2 . 17582 1 1184 . 1 1 107 107 GLN HG3 H 1 1.849 0.005 . 2 . . . . 107 GLN HG3 . 17582 1 1185 . 1 1 107 107 GLN HE21 H 1 6.920 0.003 . 2 . . . . 107 GLN HE21 . 17582 1 1186 . 1 1 107 107 GLN C C 13 173.404 0.000 . 1 . . . . 107 GLN C . 17582 1 1187 . 1 1 107 107 GLN CA C 13 57.185 0.092 . 1 . . . . 107 GLN CA . 17582 1 1188 . 1 1 107 107 GLN CB C 13 29.460 0.055 . 1 . . . . 107 GLN CB . 17582 1 1189 . 1 1 107 107 GLN CG C 13 33.761 0.042 . 1 . . . . 107 GLN CG . 17582 1 1190 . 1 1 107 107 GLN CD C 13 180.060 0.000 . 1 . . . . 107 GLN CD . 17582 1 1191 . 1 1 107 107 GLN N N 15 120.522 0.034 . 1 . . . . 107 GLN N . 17582 1 1192 . 1 1 107 107 GLN NE2 N 15 114.430 0.038 . 1 . . . . 107 GLN NE2 . 17582 1 1193 . 1 1 108 108 MET H H 1 7.743 0.002 . 1 . . . . 108 MET H . 17582 1 1194 . 1 1 108 108 MET HA H 1 4.956 0.006 . 1 . . . . 108 MET HA . 17582 1 1195 . 1 1 108 108 MET HB2 H 1 1.516 0.006 . 2 . . . . 108 MET HB2 . 17582 1 1196 . 1 1 108 108 MET HG2 H 1 1.459 0.007 . 2 . . . . 108 MET HG2 . 17582 1 1197 . 1 1 108 108 MET HG3 H 1 1.407 0.004 . 2 . . . . 108 MET HG3 . 17582 1 1198 . 1 1 108 108 MET HE1 H 1 1.789 0.002 . 1 . . . . 108 MET HE . 17582 1 1199 . 1 1 108 108 MET HE2 H 1 1.789 0.002 . 1 . . . . 108 MET HE . 17582 1 1200 . 1 1 108 108 MET HE3 H 1 1.789 0.002 . 1 . . . . 108 MET HE . 17582 1 1201 . 1 1 108 108 MET C C 13 175.463 0.000 . 1 . . . . 108 MET C . 17582 1 1202 . 1 1 108 108 MET CA C 13 52.845 0.081 . 1 . . . . 108 MET CA . 17582 1 1203 . 1 1 108 108 MET CB C 13 35.308 0.073 . 1 . . . . 108 MET CB . 17582 1 1204 . 1 1 108 108 MET CG C 13 31.870 0.060 . 1 . . . . 108 MET CG . 17582 1 1205 . 1 1 108 108 MET CE C 13 17.182 0.010 . 1 . . . . 108 MET CE . 17582 1 1206 . 1 1 108 108 MET N N 15 124.763 0.020 . 1 . . . . 108 MET N . 17582 1 1207 . 1 1 109 109 TYR H H 1 8.226 0.003 . 1 . . . . 109 TYR H . 17582 1 1208 . 1 1 109 109 TYR HA H 1 4.589 0.007 . 1 . . . . 109 TYR HA . 17582 1 1209 . 1 1 109 109 TYR HB2 H 1 2.604 0.008 . 2 . . . . 109 TYR HB2 . 17582 1 1210 . 1 1 109 109 TYR HB3 H 1 1.716 0.012 . 2 . . . . 109 TYR HB3 . 17582 1 1211 . 1 1 109 109 TYR HD2 H 1 7.008 0.004 . 3 . . . . 109 TYR HD2 . 17582 1 1212 . 1 1 109 109 TYR HE1 H 1 6.947 0.004 . 3 . . . . 109 TYR HE1 . 17582 1 1213 . 1 1 109 109 TYR C C 13 173.293 0.000 . 1 . . . . 109 TYR C . 17582 1 1214 . 1 1 109 109 TYR CA C 13 57.486 0.073 . 1 . . . . 109 TYR CA . 17582 1 1215 . 1 1 109 109 TYR CB C 13 41.966 0.052 . 1 . . . . 109 TYR CB . 17582 1 1216 . 1 1 109 109 TYR CD2 C 13 133.613 0.056 . 3 . . . . 109 TYR CD2 . 17582 1 1217 . 1 1 109 109 TYR CE1 C 13 118.221 0.042 . 3 . . . . 109 TYR CE1 . 17582 1 1218 . 1 1 109 109 TYR N N 15 122.241 0.019 . 1 . . . . 109 TYR N . 17582 1 1219 . 1 1 110 110 GLU H H 1 8.801 0.004 . 1 . . . . 110 GLU H . 17582 1 1220 . 1 1 110 110 GLU HA H 1 5.445 0.004 . 1 . . . . 110 GLU HA . 17582 1 1221 . 1 1 110 110 GLU HB2 H 1 2.014 0.008 . 2 . . . . 110 GLU HB2 . 17582 1 1222 . 1 1 110 110 GLU HB3 H 1 1.894 0.006 . 2 . . . . 110 GLU HB3 . 17582 1 1223 . 1 1 110 110 GLU HG2 H 1 2.081 0.008 . 2 . . . . 110 GLU HG2 . 17582 1 1224 . 1 1 110 110 GLU HG3 H 1 2.010 0.008 . 2 . . . . 110 GLU HG3 . 17582 1 1225 . 1 1 110 110 GLU C C 13 175.218 0.000 . 1 . . . . 110 GLU C . 17582 1 1226 . 1 1 110 110 GLU CA C 13 53.896 0.090 . 1 . . . . 110 GLU CA . 17582 1 1227 . 1 1 110 110 GLU CB C 13 34.023 0.102 . 1 . . . . 110 GLU CB . 17582 1 1228 . 1 1 110 110 GLU CG C 13 37.480 0.023 . 1 . . . . 110 GLU CG . 17582 1 1229 . 1 1 110 110 GLU N N 15 122.940 0.036 . 1 . . . . 110 GLU N . 17582 1 1230 . 1 1 111 111 THR H H 1 8.864 0.005 . 1 . . . . 111 THR H . 17582 1 1231 . 1 1 111 111 THR HA H 1 5.234 0.008 . 1 . . . . 111 THR HA . 17582 1 1232 . 1 1 111 111 THR HB H 1 4.393 0.008 . 1 . . . . 111 THR HB . 17582 1 1233 . 1 1 111 111 THR HG21 H 1 1.471 0.004 . 1 . . . . 111 THR HG2 . 17582 1 1234 . 1 1 111 111 THR HG22 H 1 1.471 0.004 . 1 . . . . 111 THR HG2 . 17582 1 1235 . 1 1 111 111 THR HG23 H 1 1.471 0.004 . 1 . . . . 111 THR HG2 . 17582 1 1236 . 1 1 111 111 THR C C 13 171.350 0.000 . 1 . . . . 111 THR C . 17582 1 1237 . 1 1 111 111 THR CA C 13 59.644 0.073 . 1 . . . . 111 THR CA . 17582 1 1238 . 1 1 111 111 THR CB C 13 70.644 0.053 . 1 . . . . 111 THR CB . 17582 1 1239 . 1 1 111 111 THR CG2 C 13 19.954 0.094 . 1 . . . . 111 THR CG2 . 17582 1 1240 . 1 1 111 111 THR N N 15 118.038 0.039 . 1 . . . . 111 THR N . 17582 1 1241 . 1 1 112 112 THR H H 1 8.162 0.003 . 1 . . . . 112 THR H . 17582 1 1242 . 1 1 112 112 THR HA H 1 5.183 0.007 . 1 . . . . 112 THR HA . 17582 1 1243 . 1 1 112 112 THR HB H 1 4.960 0.005 . 1 . . . . 112 THR HB . 17582 1 1244 . 1 1 112 112 THR HG21 H 1 1.496 0.005 . 1 . . . . 112 THR HG2 . 17582 1 1245 . 1 1 112 112 THR HG22 H 1 1.496 0.005 . 1 . . . . 112 THR HG2 . 17582 1 1246 . 1 1 112 112 THR HG23 H 1 1.496 0.005 . 1 . . . . 112 THR HG2 . 17582 1 1247 . 1 1 112 112 THR C C 13 173.545 0.000 . 1 . . . . 112 THR C . 17582 1 1248 . 1 1 112 112 THR CA C 13 61.099 0.080 . 1 . . . . 112 THR CA . 17582 1 1249 . 1 1 112 112 THR CB C 13 70.292 0.103 . 1 . . . . 112 THR CB . 17582 1 1250 . 1 1 112 112 THR CG2 C 13 21.264 0.072 . 1 . . . . 112 THR CG2 . 17582 1 1251 . 1 1 112 112 THR N N 15 114.951 0.029 . 1 . . . . 112 THR N . 17582 1 1252 . 1 1 113 113 GLU H H 1 8.444 0.002 . 1 . . . . 113 GLU H . 17582 1 1253 . 1 1 113 113 GLU HA H 1 4.741 0.007 . 1 . . . . 113 GLU HA . 17582 1 1254 . 1 1 113 113 GLU HB2 H 1 2.343 0.003 . 2 . . . . 113 GLU HB2 . 17582 1 1255 . 1 1 113 113 GLU HB3 H 1 1.922 0.006 . 2 . . . . 113 GLU HB3 . 17582 1 1256 . 1 1 113 113 GLU HG2 H 1 2.462 0.004 . 2 . . . . 113 GLU HG2 . 17582 1 1257 . 1 1 113 113 GLU HG3 H 1 2.336 0.003 . 2 . . . . 113 GLU HG3 . 17582 1 1258 . 1 1 113 113 GLU C C 13 174.860 0.000 . 1 . . . . 113 GLU C . 17582 1 1259 . 1 1 113 113 GLU CA C 13 54.438 0.096 . 1 . . . . 113 GLU CA . 17582 1 1260 . 1 1 113 113 GLU CB C 13 33.732 0.031 . 1 . . . . 113 GLU CB . 17582 1 1261 . 1 1 113 113 GLU CG C 13 35.715 0.065 . 1 . . . . 113 GLU CG . 17582 1 1262 . 1 1 113 113 GLU N N 15 121.717 0.043 . 1 . . . . 113 GLU N . 17582 1 1263 . 1 1 114 114 ASP H H 1 8.333 0.002 . 1 . . . . 114 ASP H . 17582 1 1264 . 1 1 114 114 ASP HA H 1 4.784 0.007 . 1 . . . . 114 ASP HA . 17582 1 1265 . 1 1 114 114 ASP HB2 H 1 3.310 0.006 . 2 . . . . 114 ASP HB2 . 17582 1 1266 . 1 1 114 114 ASP HB3 H 1 2.543 0.003 . 2 . . . . 114 ASP HB3 . 17582 1 1267 . 1 1 114 114 ASP C C 13 176.100 0.000 . 1 . . . . 114 ASP C . 17582 1 1268 . 1 1 114 114 ASP CA C 13 55.791 0.088 . 1 . . . . 114 ASP CA . 17582 1 1269 . 1 1 114 114 ASP CB C 13 40.934 0.078 . 1 . . . . 114 ASP CB . 17582 1 1270 . 1 1 114 114 ASP N N 15 118.774 0.019 . 1 . . . . 114 ASP N . 17582 1 1271 . 1 1 115 115 CYS H H 1 8.992 0.003 . 1 . . . . 115 CYS H . 17582 1 1272 . 1 1 115 115 CYS HA H 1 4.937 0.005 . 1 . . . . 115 CYS HA . 17582 1 1273 . 1 1 115 115 CYS HB2 H 1 2.353 0.003 . 2 . . . . 115 CYS HB2 . 17582 1 1274 . 1 1 115 115 CYS HB3 H 1 1.030 0.005 . 2 . . . . 115 CYS HB3 . 17582 1 1275 . 1 1 115 115 CYS CA C 13 55.562 0.102 . 1 . . . . 115 CYS CA . 17582 1 1276 . 1 1 115 115 CYS CB C 13 28.371 0.098 . 1 . . . . 115 CYS CB . 17582 1 1277 . 1 1 115 115 CYS N N 15 121.173 0.019 . 1 . . . . 115 CYS N . 17582 1 1278 . 1 1 116 116 PRO HA H 1 3.943 0.011 . 1 . . . . 116 PRO HA . 17582 1 1279 . 1 1 116 116 PRO HB2 H 1 1.888 0.011 . 2 . . . . 116 PRO HB2 . 17582 1 1280 . 1 1 116 116 PRO HG2 H 1 1.961 0.026 . 2 . . . . 116 PRO HG2 . 17582 1 1281 . 1 1 116 116 PRO HG3 H 1 1.897 0.007 . 2 . . . . 116 PRO HG3 . 17582 1 1282 . 1 1 116 116 PRO HD2 H 1 3.973 0.005 . 2 . . . . 116 PRO HD2 . 17582 1 1283 . 1 1 116 116 PRO HD3 H 1 3.463 0.006 . 2 . . . . 116 PRO HD3 . 17582 1 1284 . 1 1 116 116 PRO C C 13 175.726 0.000 . 1 . . . . 116 PRO C . 17582 1 1285 . 1 1 116 116 PRO CA C 13 64.160 0.108 . 1 . . . . 116 PRO CA . 17582 1 1286 . 1 1 116 116 PRO CB C 13 31.707 0.020 . 1 . . . . 116 PRO CB . 17582 1 1287 . 1 1 116 116 PRO CG C 13 26.166 0.066 . 1 . . . . 116 PRO CG . 17582 1 1288 . 1 1 116 116 PRO CD C 13 50.538 0.088 . 1 . . . . 116 PRO CD . 17582 1 1289 . 1 1 117 117 SER H H 1 7.176 0.002 . 1 . . . . 117 SER H . 17582 1 1290 . 1 1 117 117 SER HA H 1 4.911 0.005 . 1 . . . . 117 SER HA . 17582 1 1291 . 1 1 117 117 SER HB2 H 1 3.959 0.006 . 2 . . . . 117 SER HB2 . 17582 1 1292 . 1 1 117 117 SER HB3 H 1 3.533 0.011 . 2 . . . . 117 SER HB3 . 17582 1 1293 . 1 1 117 117 SER C C 13 175.187 0.000 . 1 . . . . 117 SER C . 17582 1 1294 . 1 1 117 117 SER CA C 13 56.859 0.055 . 1 . . . . 117 SER CA . 17582 1 1295 . 1 1 117 117 SER CB C 13 62.493 0.066 . 1 . . . . 117 SER CB . 17582 1 1296 . 1 1 117 117 SER N N 15 111.722 0.015 . 1 . . . . 117 SER N . 17582 1 1297 . 1 1 118 118 ILE H H 1 8.681 0.004 . 1 . . . . 118 ILE H . 17582 1 1298 . 1 1 118 118 ILE HA H 1 3.972 0.007 . 1 . . . . 118 ILE HA . 17582 1 1299 . 1 1 118 118 ILE HB H 1 1.791 0.009 . 1 . . . . 118 ILE HB . 17582 1 1300 . 1 1 118 118 ILE HG12 H 1 1.524 0.006 . 2 . . . . 118 ILE HG12 . 17582 1 1301 . 1 1 118 118 ILE HG13 H 1 1.046 0.003 . 2 . . . . 118 ILE HG13 . 17582 1 1302 . 1 1 118 118 ILE HG21 H 1 1.012 0.006 . 1 . . . . 118 ILE HG2 . 17582 1 1303 . 1 1 118 118 ILE HG22 H 1 1.012 0.006 . 1 . . . . 118 ILE HG2 . 17582 1 1304 . 1 1 118 118 ILE HG23 H 1 1.012 0.006 . 1 . . . . 118 ILE HG2 . 17582 1 1305 . 1 1 118 118 ILE HD11 H 1 0.647 0.011 . 1 . . . . 118 ILE HD1 . 17582 1 1306 . 1 1 118 118 ILE HD12 H 1 0.647 0.011 . 1 . . . . 118 ILE HD1 . 17582 1 1307 . 1 1 118 118 ILE HD13 H 1 0.647 0.011 . 1 . . . . 118 ILE HD1 . 17582 1 1308 . 1 1 118 118 ILE C C 13 178.589 0.000 . 1 . . . . 118 ILE C . 17582 1 1309 . 1 1 118 118 ILE CA C 13 64.814 0.067 . 1 . . . . 118 ILE CA . 17582 1 1310 . 1 1 118 118 ILE CB C 13 38.526 0.065 . 1 . . . . 118 ILE CB . 17582 1 1311 . 1 1 118 118 ILE CG2 C 13 18.180 0.108 . 1 . . . . 118 ILE CG2 . 17582 1 1312 . 1 1 118 118 ILE CD1 C 13 14.831 0.030 . 1 . . . . 118 ILE CD1 . 17582 1 1313 . 1 1 118 118 ILE N N 15 131.968 0.040 . 1 . . . . 118 ILE N . 17582 1 1314 . 1 1 119 119 MET H H 1 8.963 0.003 . 1 . . . . 119 MET H . 17582 1 1315 . 1 1 119 119 MET HA H 1 4.260 0.005 . 1 . . . . 119 MET HA . 17582 1 1316 . 1 1 119 119 MET HB2 H 1 2.106 0.006 . 2 . . . . 119 MET HB2 . 17582 1 1317 . 1 1 119 119 MET HB3 H 1 1.914 0.008 . 2 . . . . 119 MET HB3 . 17582 1 1318 . 1 1 119 119 MET HG2 H 1 2.655 0.006 . 2 . . . . 119 MET HG2 . 17582 1 1319 . 1 1 119 119 MET HG3 H 1 2.401 0.009 . 2 . . . . 119 MET HG3 . 17582 1 1320 . 1 1 119 119 MET HE1 H 1 1.954 0.003 . 1 . . . . 119 MET HE . 17582 1 1321 . 1 1 119 119 MET HE2 H 1 1.954 0.003 . 1 . . . . 119 MET HE . 17582 1 1322 . 1 1 119 119 MET HE3 H 1 1.954 0.003 . 1 . . . . 119 MET HE . 17582 1 1323 . 1 1 119 119 MET C C 13 178.621 0.000 . 1 . . . . 119 MET C . 17582 1 1324 . 1 1 119 119 MET CA C 13 58.431 0.074 . 1 . . . . 119 MET CA . 17582 1 1325 . 1 1 119 119 MET CB C 13 31.463 0.118 . 1 . . . . 119 MET CB . 17582 1 1326 . 1 1 119 119 MET CG C 13 32.715 0.027 . 1 . . . . 119 MET CG . 17582 1 1327 . 1 1 119 119 MET CE C 13 16.760 0.052 . 1 . . . . 119 MET CE . 17582 1 1328 . 1 1 119 119 MET N N 15 123.635 0.026 . 1 . . . . 119 MET N . 17582 1 1329 . 1 1 120 120 GLU H H 1 7.669 0.002 . 1 . . . . 120 GLU H . 17582 1 1330 . 1 1 120 120 GLU HA H 1 3.883 0.011 . 1 . . . . 120 GLU HA . 17582 1 1331 . 1 1 120 120 GLU HB2 H 1 1.948 0.006 . 2 . . . . 120 GLU HB2 . 17582 1 1332 . 1 1 120 120 GLU HB3 H 1 1.848 0.004 . 2 . . . . 120 GLU HB3 . 17582 1 1333 . 1 1 120 120 GLU HG2 H 1 2.258 0.001 . 2 . . . . 120 GLU HG2 . 17582 1 1334 . 1 1 120 120 GLU HG3 H 1 2.210 0.003 . 2 . . . . 120 GLU HG3 . 17582 1 1335 . 1 1 120 120 GLU C C 13 177.232 0.000 . 1 . . . . 120 GLU C . 17582 1 1336 . 1 1 120 120 GLU CA C 13 58.751 0.102 . 1 . . . . 120 GLU CA . 17582 1 1337 . 1 1 120 120 GLU CB C 13 29.623 0.084 . 1 . . . . 120 GLU CB . 17582 1 1338 . 1 1 120 120 GLU N N 15 117.664 0.022 . 1 . . . . 120 GLU N . 17582 1 1339 . 1 1 121 121 GLN H H 1 7.282 0.002 . 1 . . . . 121 GLN H . 17582 1 1340 . 1 1 121 121 GLN HA H 1 3.860 0.005 . 1 . . . . 121 GLN HA . 17582 1 1341 . 1 1 121 121 GLN HB2 H 1 1.524 0.006 . 2 . . . . 121 GLN HB2 . 17582 1 1342 . 1 1 121 121 GLN HB3 H 1 0.887 0.009 . 2 . . . . 121 GLN HB3 . 17582 1 1343 . 1 1 121 121 GLN HG2 H 1 1.530 0.005 . 2 . . . . 121 GLN HG2 . 17582 1 1344 . 1 1 121 121 GLN HG3 H 1 1.177 0.011 . 2 . . . . 121 GLN HG3 . 17582 1 1345 . 1 1 121 121 GLN HE21 H 1 7.047 0.002 . 2 . . . . 121 GLN HE21 . 17582 1 1346 . 1 1 121 121 GLN HE22 H 1 6.801 0.002 . 2 . . . . 121 GLN HE22 . 17582 1 1347 . 1 1 121 121 GLN C C 13 176.310 0.000 . 1 . . . . 121 GLN C . 17582 1 1348 . 1 1 121 121 GLN CA C 13 57.775 0.084 . 1 . . . . 121 GLN CA . 17582 1 1349 . 1 1 121 121 GLN CB C 13 29.711 0.071 . 1 . . . . 121 GLN CB . 17582 1 1350 . 1 1 121 121 GLN CG C 13 32.952 0.046 . 1 . . . . 121 GLN CG . 17582 1 1351 . 1 1 121 121 GLN CD C 13 179.153 0.008 . 1 . . . . 121 GLN CD . 17582 1 1352 . 1 1 121 121 GLN N N 15 113.878 0.021 . 1 . . . . 121 GLN N . 17582 1 1353 . 1 1 121 121 GLN NE2 N 15 111.297 0.055 . 1 . . . . 121 GLN NE2 . 17582 1 1354 . 1 1 122 122 PHE H H 1 7.841 0.003 . 1 . . . . 122 PHE H . 17582 1 1355 . 1 1 122 122 PHE HA H 1 4.370 0.009 . 1 . . . . 122 PHE HA . 17582 1 1356 . 1 1 122 122 PHE HB2 H 1 2.782 0.009 . 2 . . . . 122 PHE HB2 . 17582 1 1357 . 1 1 122 122 PHE HB3 H 1 2.378 0.007 . 2 . . . . 122 PHE HB3 . 17582 1 1358 . 1 1 122 122 PHE HD1 H 1 6.588 0.004 . 3 . . . . 122 PHE HD1 . 17582 1 1359 . 1 1 122 122 PHE HE1 H 1 7.344 0.005 . 3 . . . . 122 PHE HE1 . 17582 1 1360 . 1 1 122 122 PHE HZ H 1 7.165 0.005 . 1 . . . . 122 PHE HZ . 17582 1 1361 . 1 1 122 122 PHE C C 13 174.168 0.000 . 1 . . . . 122 PHE C . 17582 1 1362 . 1 1 122 122 PHE CA C 13 56.234 0.092 . 1 . . . . 122 PHE CA . 17582 1 1363 . 1 1 122 122 PHE CB C 13 40.353 0.070 . 1 . . . . 122 PHE CB . 17582 1 1364 . 1 1 122 122 PHE CD1 C 13 131.641 0.052 . 3 . . . . 122 PHE CD1 . 17582 1 1365 . 1 1 122 122 PHE CE1 C 13 131.512 0.045 . 3 . . . . 122 PHE CE1 . 17582 1 1366 . 1 1 122 122 PHE CZ C 13 129.074 0.042 . 1 . . . . 122 PHE CZ . 17582 1 1367 . 1 1 122 122 PHE N N 15 113.646 0.033 . 1 . . . . 122 PHE N . 17582 1 1368 . 1 1 123 123 HIS H H 1 7.496 0.003 . 1 . . . . 123 HIS H . 17582 1 1369 . 1 1 123 123 HIS HA H 1 4.828 0.009 . 1 . . . . 123 HIS HA . 17582 1 1370 . 1 1 123 123 HIS HB2 H 1 3.465 0.003 . 2 . . . . 123 HIS HB2 . 17582 1 1371 . 1 1 123 123 HIS HD2 H 1 7.247 0.002 . 1 . . . . 123 HIS HD2 . 17582 1 1372 . 1 1 123 123 HIS HE1 H 1 8.541 0.001 . 1 . . . . 123 HIS HE1 . 17582 1 1373 . 1 1 123 123 HIS C C 13 173.936 0.000 . 1 . . . . 123 HIS C . 17582 1 1374 . 1 1 123 123 HIS CA C 13 56.225 0.067 . 1 . . . . 123 HIS CA . 17582 1 1375 . 1 1 123 123 HIS CB C 13 25.960 0.043 . 1 . . . . 123 HIS CB . 17582 1 1376 . 1 1 123 123 HIS CD2 C 13 119.795 0.107 . 1 . . . . 123 HIS CD2 . 17582 1 1377 . 1 1 123 123 HIS CE1 C 13 135.916 0.009 . 1 . . . . 123 HIS CE1 . 17582 1 1378 . 1 1 123 123 HIS N N 15 114.332 0.026 . 1 . . . . 123 HIS N . 17582 1 1379 . 1 1 124 124 MET H H 1 6.927 0.003 . 1 . . . . 124 MET H . 17582 1 1380 . 1 1 124 124 MET HA H 1 4.792 0.006 . 1 . . . . 124 MET HA . 17582 1 1381 . 1 1 124 124 MET HB2 H 1 2.194 0.006 . 2 . . . . 124 MET HB2 . 17582 1 1382 . 1 1 124 124 MET HB3 H 1 1.712 0.007 . 2 . . . . 124 MET HB3 . 17582 1 1383 . 1 1 124 124 MET HG2 H 1 2.577 0.009 . 2 . . . . 124 MET HG2 . 17582 1 1384 . 1 1 124 124 MET HG3 H 1 2.539 0.010 . 2 . . . . 124 MET HG3 . 17582 1 1385 . 1 1 124 124 MET HE1 H 1 2.029 0.004 . 1 . . . . 124 MET HE . 17582 1 1386 . 1 1 124 124 MET HE2 H 1 2.029 0.004 . 1 . . . . 124 MET HE . 17582 1 1387 . 1 1 124 124 MET HE3 H 1 2.029 0.004 . 1 . . . . 124 MET HE . 17582 1 1388 . 1 1 124 124 MET C C 13 174.322 0.000 . 1 . . . . 124 MET C . 17582 1 1389 . 1 1 124 124 MET CA C 13 54.847 0.067 . 1 . . . . 124 MET CA . 17582 1 1390 . 1 1 124 124 MET CB C 13 37.773 0.044 . 1 . . . . 124 MET CB . 17582 1 1391 . 1 1 124 124 MET CG C 13 31.549 0.035 . 1 . . . . 124 MET CG . 17582 1 1392 . 1 1 124 124 MET CE C 13 16.908 0.047 . 1 . . . . 124 MET CE . 17582 1 1393 . 1 1 124 124 MET N N 15 115.415 0.027 . 1 . . . . 124 MET N . 17582 1 1394 . 1 1 125 125 ARG H H 1 8.875 0.003 . 1 . . . . 125 ARG H . 17582 1 1395 . 1 1 125 125 ARG HA H 1 4.389 0.009 . 1 . . . . 125 ARG HA . 17582 1 1396 . 1 1 125 125 ARG HB2 H 1 1.917 0.008 . 2 . . . . 125 ARG HB2 . 17582 1 1397 . 1 1 125 125 ARG HB3 H 1 1.860 0.014 . 2 . . . . 125 ARG HB3 . 17582 1 1398 . 1 1 125 125 ARG HG2 H 1 1.710 0.006 . 2 . . . . 125 ARG HG2 . 17582 1 1399 . 1 1 125 125 ARG HD2 H 1 3.230 0.009 . 2 . . . . 125 ARG HD2 . 17582 1 1400 . 1 1 125 125 ARG HE H 1 7.272 0.002 . 1 . . . . 125 ARG HE . 17582 1 1401 . 1 1 125 125 ARG C C 13 175.413 0.000 . 1 . . . . 125 ARG C . 17582 1 1402 . 1 1 125 125 ARG CA C 13 56.690 0.077 . 1 . . . . 125 ARG CA . 17582 1 1403 . 1 1 125 125 ARG CB C 13 32.064 0.057 . 1 . . . . 125 ARG CB . 17582 1 1404 . 1 1 125 125 ARG CG C 13 27.910 0.046 . 1 . . . . 125 ARG CG . 17582 1 1405 . 1 1 125 125 ARG CD C 13 43.347 0.032 . 1 . . . . 125 ARG CD . 17582 1 1406 . 1 1 125 125 ARG N N 15 118.516 0.027 . 1 . . . . 125 ARG N . 17582 1 1407 . 1 1 125 125 ARG NE N 15 84.582 0.014 . 1 . . . . 125 ARG NE . 17582 1 1408 . 1 1 126 126 GLU H H 1 7.607 0.002 . 1 . . . . 126 GLU H . 17582 1 1409 . 1 1 126 126 GLU HA H 1 4.915 0.007 . 1 . . . . 126 GLU HA . 17582 1 1410 . 1 1 126 126 GLU HB2 H 1 2.102 0.009 . 2 . . . . 126 GLU HB2 . 17582 1 1411 . 1 1 126 126 GLU HB3 H 1 1.965 0.007 . 2 . . . . 126 GLU HB3 . 17582 1 1412 . 1 1 126 126 GLU HG2 H 1 2.216 0.002 . 2 . . . . 126 GLU HG2 . 17582 1 1413 . 1 1 126 126 GLU C C 13 174.597 0.000 . 1 . . . . 126 GLU C . 17582 1 1414 . 1 1 126 126 GLU CA C 13 54.312 0.090 . 1 . . . . 126 GLU CA . 17582 1 1415 . 1 1 126 126 GLU CB C 13 34.637 0.093 . 1 . . . . 126 GLU CB . 17582 1 1416 . 1 1 126 126 GLU CG C 13 35.841 0.000 . 1 . . . . 126 GLU CG . 17582 1 1417 . 1 1 126 126 GLU N N 15 115.160 0.019 . 1 . . . . 126 GLU N . 17582 1 1418 . 1 1 127 127 ILE H H 1 8.130 0.003 . 1 . . . . 127 ILE H . 17582 1 1419 . 1 1 127 127 ILE HA H 1 4.417 0.010 . 1 . . . . 127 ILE HA . 17582 1 1420 . 1 1 127 127 ILE HB H 1 1.488 0.006 . 1 . . . . 127 ILE HB . 17582 1 1421 . 1 1 127 127 ILE HG12 H 1 1.284 0.006 . 2 . . . . 127 ILE HG12 . 17582 1 1422 . 1 1 127 127 ILE HG13 H 1 0.836 0.008 . 2 . . . . 127 ILE HG13 . 17582 1 1423 . 1 1 127 127 ILE HG21 H 1 1.012 0.007 . 1 . . . . 127 ILE HG2 . 17582 1 1424 . 1 1 127 127 ILE HG22 H 1 1.012 0.007 . 1 . . . . 127 ILE HG2 . 17582 1 1425 . 1 1 127 127 ILE HG23 H 1 1.012 0.007 . 1 . . . . 127 ILE HG2 . 17582 1 1426 . 1 1 127 127 ILE HD11 H 1 0.347 0.006 . 1 . . . . 127 ILE HD1 . 17582 1 1427 . 1 1 127 127 ILE HD12 H 1 0.347 0.006 . 1 . . . . 127 ILE HD1 . 17582 1 1428 . 1 1 127 127 ILE HD13 H 1 0.347 0.006 . 1 . . . . 127 ILE HD1 . 17582 1 1429 . 1 1 127 127 ILE CA C 13 61.187 0.118 . 1 . . . . 127 ILE CA . 17582 1 1430 . 1 1 127 127 ILE CB C 13 40.622 0.107 . 1 . . . . 127 ILE CB . 17582 1 1431 . 1 1 127 127 ILE CG1 C 13 27.364 0.032 . 1 . . . . 127 ILE CG1 . 17582 1 1432 . 1 1 127 127 ILE CG2 C 13 18.239 0.056 . 1 . . . . 127 ILE CG2 . 17582 1 1433 . 1 1 127 127 ILE CD1 C 13 13.981 0.033 . 1 . . . . 127 ILE CD1 . 17582 1 1434 . 1 1 127 127 ILE N N 15 118.704 0.028 . 1 . . . . 127 ILE N . 17582 1 1435 . 1 1 128 128 HIS H H 1 7.950 0.006 . 1 . . . . 128 HIS H . 17582 1 1436 . 1 1 128 128 HIS HA H 1 4.717 0.004 . 1 . . . . 128 HIS HA . 17582 1 1437 . 1 1 128 128 HIS HB2 H 1 3.150 0.007 . 2 . . . . 128 HIS HB2 . 17582 1 1438 . 1 1 128 128 HIS HB3 H 1 2.452 0.013 . 2 . . . . 128 HIS HB3 . 17582 1 1439 . 1 1 128 128 HIS HD2 H 1 7.244 0.004 . 1 . . . . 128 HIS HD2 . 17582 1 1440 . 1 1 128 128 HIS HE1 H 1 8.562 0.003 . 1 . . . . 128 HIS HE1 . 17582 1 1441 . 1 1 128 128 HIS C C 13 173.480 0.000 . 1 . . . . 128 HIS C . 17582 1 1442 . 1 1 128 128 HIS CA C 13 56.532 0.066 . 1 . . . . 128 HIS CA . 17582 1 1443 . 1 1 128 128 HIS CB C 13 32.192 0.046 . 1 . . . . 128 HIS CB . 17582 1 1444 . 1 1 128 128 HIS CD2 C 13 119.229 0.011 . 1 . . . . 128 HIS CD2 . 17582 1 1445 . 1 1 128 128 HIS CE1 C 13 136.625 0.055 . 1 . . . . 128 HIS CE1 . 17582 1 1446 . 1 1 128 128 HIS N N 15 119.246 0.089 . 1 . . . . 128 HIS N . 17582 1 1447 . 1 1 129 129 SER H H 1 8.017 0.003 . 1 . . . . 129 SER H . 17582 1 1448 . 1 1 129 129 SER HA H 1 4.624 0.006 . 1 . . . . 129 SER HA . 17582 1 1449 . 1 1 129 129 SER HB2 H 1 4.506 0.010 . 2 . . . . 129 SER HB2 . 17582 1 1450 . 1 1 129 129 SER HB3 H 1 4.285 0.016 . 2 . . . . 129 SER HB3 . 17582 1 1451 . 1 1 129 129 SER C C 13 173.375 0.000 . 1 . . . . 129 SER C . 17582 1 1452 . 1 1 129 129 SER CA C 13 59.615 0.042 . 1 . . . . 129 SER CA . 17582 1 1453 . 1 1 129 129 SER CB C 13 64.907 0.108 . 1 . . . . 129 SER CB . 17582 1 1454 . 1 1 129 129 SER N N 15 106.452 0.029 . 1 . . . . 129 SER N . 17582 1 1455 . 1 1 130 130 CYS H H 1 9.948 0.006 . 1 . . . . 130 CYS H . 17582 1 1456 . 1 1 130 130 CYS HA H 1 5.811 0.006 . 1 . . . . 130 CYS HA . 17582 1 1457 . 1 1 130 130 CYS HB2 H 1 3.050 0.004 . 2 . . . . 130 CYS HB2 . 17582 1 1458 . 1 1 130 130 CYS HB3 H 1 2.818 0.007 . 2 . . . . 130 CYS HB3 . 17582 1 1459 . 1 1 130 130 CYS CA C 13 57.764 0.083 . 1 . . . . 130 CYS CA . 17582 1 1460 . 1 1 130 130 CYS CB C 13 29.995 0.051 . 1 . . . . 130 CYS CB . 17582 1 1461 . 1 1 130 130 CYS N N 15 115.212 0.043 . 1 . . . . 130 CYS N . 17582 1 1462 . 1 1 131 131 LYS HB2 H 1 1.867 0.003 . 2 . . . . 131 LYS HB2 . 17582 1 1463 . 1 1 131 131 LYS HB3 H 1 1.679 0.006 . 2 . . . . 131 LYS HB3 . 17582 1 1464 . 1 1 131 131 LYS HG2 H 1 1.528 0.004 . 2 . . . . 131 LYS HG2 . 17582 1 1465 . 1 1 131 131 LYS HD2 H 1 1.685 0.001 . 2 . . . . 131 LYS HD2 . 17582 1 1466 . 1 1 131 131 LYS HE2 H 1 3.052 0.002 . 2 . . . . 131 LYS HE2 . 17582 1 1467 . 1 1 131 131 LYS CB C 13 32.694 0.037 . 1 . . . . 131 LYS CB . 17582 1 1468 . 1 1 131 131 LYS CG C 13 24.691 0.052 . 1 . . . . 131 LYS CG . 17582 1 1469 . 1 1 131 131 LYS CD C 13 29.245 0.027 . 1 . . . . 131 LYS CD . 17582 1 1470 . 1 1 131 131 LYS CE C 13 42.249 0.023 . 1 . . . . 131 LYS CE . 17582 1 1471 . 1 1 133 133 LEU HA H 1 4.157 0.011 . 1 . . . . 133 LEU HA . 17582 1 1472 . 1 1 133 133 LEU HB2 H 1 1.709 0.008 . 2 . . . . 133 LEU HB2 . 17582 1 1473 . 1 1 133 133 LEU HB3 H 1 1.349 0.011 . 2 . . . . 133 LEU HB3 . 17582 1 1474 . 1 1 133 133 LEU HG H 1 1.523 0.005 . 1 . . . . 133 LEU HG . 17582 1 1475 . 1 1 133 133 LEU HD11 H 1 0.754 0.005 . 2 . . . . 133 LEU HD1 . 17582 1 1476 . 1 1 133 133 LEU HD12 H 1 0.754 0.005 . 2 . . . . 133 LEU HD1 . 17582 1 1477 . 1 1 133 133 LEU HD13 H 1 0.754 0.005 . 2 . . . . 133 LEU HD1 . 17582 1 1478 . 1 1 133 133 LEU HD21 H 1 0.743 0.005 . 2 . . . . 133 LEU HD2 . 17582 1 1479 . 1 1 133 133 LEU HD22 H 1 0.743 0.005 . 2 . . . . 133 LEU HD2 . 17582 1 1480 . 1 1 133 133 LEU HD23 H 1 0.743 0.005 . 2 . . . . 133 LEU HD2 . 17582 1 1481 . 1 1 133 133 LEU CA C 13 56.912 0.057 . 1 . . . . 133 LEU CA . 17582 1 1482 . 1 1 133 133 LEU CB C 13 41.993 0.050 . 1 . . . . 133 LEU CB . 17582 1 1483 . 1 1 133 133 LEU CG C 13 28.536 0.072 . 1 . . . . 133 LEU CG . 17582 1 1484 . 1 1 133 133 LEU CD1 C 13 25.265 0.090 . 2 . . . . 133 LEU CD1 . 17582 1 1485 . 1 1 133 133 LEU CD2 C 13 23.679 0.037 . 2 . . . . 133 LEU CD2 . 17582 1 1486 . 1 1 134 134 GLU HA H 1 4.623 0.006 . 1 . . . . 134 GLU HA . 17582 1 1487 . 1 1 134 134 GLU HB2 H 1 1.894 0.004 . 2 . . . . 134 GLU HB2 . 17582 1 1488 . 1 1 134 134 GLU HB3 H 1 1.596 0.007 . 2 . . . . 134 GLU HB3 . 17582 1 1489 . 1 1 134 134 GLU HG2 H 1 2.167 0.010 . 2 . . . . 134 GLU HG2 . 17582 1 1490 . 1 1 134 134 GLU HG3 H 1 2.145 0.007 . 2 . . . . 134 GLU HG3 . 17582 1 1491 . 1 1 134 134 GLU CA C 13 55.397 0.072 . 1 . . . . 134 GLU CA . 17582 1 1492 . 1 1 134 134 GLU CB C 13 33.061 0.051 . 1 . . . . 134 GLU CB . 17582 1 1493 . 1 1 134 134 GLU CG C 13 34.769 0.047 . 1 . . . . 134 GLU CG . 17582 1 1494 . 1 1 135 135 GLY HA2 H 1 3.864 0.011 . 2 . . . . 135 GLY HA2 . 17582 1 1495 . 1 1 135 135 GLY HA3 H 1 3.234 0.008 . 2 . . . . 135 GLY HA3 . 17582 1 1496 . 1 1 135 135 GLY CA C 13 44.438 0.051 . 1 . . . . 135 GLY CA . 17582 1 1497 . 1 1 136 136 VAL HA H 1 4.698 0.013 . 1 . . . . 136 VAL HA . 17582 1 1498 . 1 1 136 136 VAL HB H 1 1.800 0.004 . 1 . . . . 136 VAL HB . 17582 1 1499 . 1 1 136 136 VAL HG11 H 1 0.985 0.003 . 2 . . . . 136 VAL HG1 . 17582 1 1500 . 1 1 136 136 VAL HG12 H 1 0.985 0.003 . 2 . . . . 136 VAL HG1 . 17582 1 1501 . 1 1 136 136 VAL HG13 H 1 0.985 0.003 . 2 . . . . 136 VAL HG1 . 17582 1 1502 . 1 1 136 136 VAL HG21 H 1 0.906 0.005 . 2 . . . . 136 VAL HG2 . 17582 1 1503 . 1 1 136 136 VAL HG22 H 1 0.906 0.005 . 2 . . . . 136 VAL HG2 . 17582 1 1504 . 1 1 136 136 VAL HG23 H 1 0.906 0.005 . 2 . . . . 136 VAL HG2 . 17582 1 1505 . 1 1 136 136 VAL CA C 13 62.150 0.088 . 1 . . . . 136 VAL CA . 17582 1 1506 . 1 1 136 136 VAL CB C 13 34.843 0.071 . 1 . . . . 136 VAL CB . 17582 1 1507 . 1 1 136 136 VAL CG1 C 13 22.244 0.034 . 2 . . . . 136 VAL CG1 . 17582 1 1508 . 1 1 136 136 VAL CG2 C 13 22.285 0.083 . 2 . . . . 136 VAL CG2 . 17582 1 1509 . 1 1 137 137 TRP HA H 1 5.324 0.010 . 1 . . . . 137 TRP HA . 17582 1 1510 . 1 1 137 137 TRP HB2 H 1 3.061 0.009 . 2 . . . . 137 TRP HB2 . 17582 1 1511 . 1 1 137 137 TRP HB3 H 1 2.589 0.008 . 2 . . . . 137 TRP HB3 . 17582 1 1512 . 1 1 137 137 TRP HD1 H 1 6.899 0.002 . 1 . . . . 137 TRP HD1 . 17582 1 1513 . 1 1 137 137 TRP HE1 H 1 9.069 0.004 . 1 . . . . 137 TRP HE1 . 17582 1 1514 . 1 1 137 137 TRP HE3 H 1 7.338 0.006 . 1 . . . . 137 TRP HE3 . 17582 1 1515 . 1 1 137 137 TRP HZ2 H 1 7.076 0.003 . 1 . . . . 137 TRP HZ2 . 17582 1 1516 . 1 1 137 137 TRP HZ3 H 1 7.296 0.006 . 1 . . . . 137 TRP HZ3 . 17582 1 1517 . 1 1 137 137 TRP HH2 H 1 6.914 0.002 . 1 . . . . 137 TRP HH2 . 17582 1 1518 . 1 1 137 137 TRP C C 13 173.179 0.000 . 1 . . . . 137 TRP C . 17582 1 1519 . 1 1 137 137 TRP CA C 13 55.594 0.067 . 1 . . . . 137 TRP CA . 17582 1 1520 . 1 1 137 137 TRP CB C 13 32.828 0.075 . 1 . . . . 137 TRP CB . 17582 1 1521 . 1 1 137 137 TRP CD1 C 13 126.574 0.069 . 1 . . . . 137 TRP CD1 . 17582 1 1522 . 1 1 137 137 TRP CE3 C 13 119.799 0.067 . 1 . . . . 137 TRP CE3 . 17582 1 1523 . 1 1 137 137 TRP CZ2 C 13 113.744 0.046 . 1 . . . . 137 TRP CZ2 . 17582 1 1524 . 1 1 137 137 TRP CZ3 C 13 124.037 0.034 . 1 . . . . 137 TRP CZ3 . 17582 1 1525 . 1 1 137 137 TRP CH2 C 13 125.164 0.073 . 1 . . . . 137 TRP CH2 . 17582 1 1526 . 1 1 137 137 TRP NE1 N 15 123.651 0.066 . 1 . . . . 137 TRP NE1 . 17582 1 1527 . 1 1 138 138 ILE H H 1 9.451 0.008 . 1 . . . . 138 ILE H . 17582 1 1528 . 1 1 138 138 ILE HA H 1 4.966 0.013 . 1 . . . . 138 ILE HA . 17582 1 1529 . 1 1 138 138 ILE HB H 1 1.575 0.007 . 1 . . . . 138 ILE HB . 17582 1 1530 . 1 1 138 138 ILE HG12 H 1 1.492 0.010 . 2 . . . . 138 ILE HG12 . 17582 1 1531 . 1 1 138 138 ILE HG13 H 1 0.657 0.009 . 2 . . . . 138 ILE HG13 . 17582 1 1532 . 1 1 138 138 ILE HG21 H 1 0.330 0.008 . 1 . . . . 138 ILE HG2 . 17582 1 1533 . 1 1 138 138 ILE HG22 H 1 0.330 0.008 . 1 . . . . 138 ILE HG2 . 17582 1 1534 . 1 1 138 138 ILE HG23 H 1 0.330 0.008 . 1 . . . . 138 ILE HG2 . 17582 1 1535 . 1 1 138 138 ILE HD11 H 1 0.788 0.008 . 1 . . . . 138 ILE HD1 . 17582 1 1536 . 1 1 138 138 ILE HD12 H 1 0.788 0.008 . 1 . . . . 138 ILE HD1 . 17582 1 1537 . 1 1 138 138 ILE HD13 H 1 0.788 0.008 . 1 . . . . 138 ILE HD1 . 17582 1 1538 . 1 1 138 138 ILE C C 13 176.454 0.000 . 1 . . . . 138 ILE C . 17582 1 1539 . 1 1 138 138 ILE CA C 13 53.022 0.092 . 1 . . . . 138 ILE CA . 17582 1 1540 . 1 1 138 138 ILE CB C 13 41.844 0.000 . 1 . . . . 138 ILE CB . 17582 1 1541 . 1 1 138 138 ILE CG1 C 13 27.682 0.000 . 1 . . . . 138 ILE CG1 . 17582 1 1542 . 1 1 138 138 ILE CG2 C 13 17.512 0.023 . 1 . . . . 138 ILE CG2 . 17582 1 1543 . 1 1 138 138 ILE CD1 C 13 14.688 0.055 . 1 . . . . 138 ILE CD1 . 17582 1 1544 . 1 1 138 138 ILE N N 15 119.317 0.036 . 1 . . . . 138 ILE N . 17582 1 1545 . 1 1 139 139 PHE H H 1 8.970 0.005 . 1 . . . . 139 PHE H . 17582 1 1546 . 1 1 139 139 PHE HA H 1 5.469 0.009 . 1 . . . . 139 PHE HA . 17582 1 1547 . 1 1 139 139 PHE HB2 H 1 3.039 0.016 . 2 . . . . 139 PHE HB2 . 17582 1 1548 . 1 1 139 139 PHE HB3 H 1 2.985 0.010 . 2 . . . . 139 PHE HB3 . 17582 1 1549 . 1 1 139 139 PHE HD1 H 1 6.165 0.004 . 3 . . . . 139 PHE HD1 . 17582 1 1550 . 1 1 139 139 PHE HE1 H 1 5.452 0.004 . 3 . . . . 139 PHE HE1 . 17582 1 1551 . 1 1 139 139 PHE HZ H 1 6.258 0.007 . 1 . . . . 139 PHE HZ . 17582 1 1552 . 1 1 139 139 PHE C C 13 174.696 0.000 . 1 . . . . 139 PHE C . 17582 1 1553 . 1 1 139 139 PHE CA C 13 52.909 0.047 . 1 . . . . 139 PHE CA . 17582 1 1554 . 1 1 139 139 PHE CB C 13 41.064 0.043 . 1 . . . . 139 PHE CB . 17582 1 1555 . 1 1 139 139 PHE CD1 C 13 128.939 0.051 . 3 . . . . 139 PHE CD1 . 17582 1 1556 . 1 1 139 139 PHE CE1 C 13 130.031 0.037 . 3 . . . . 139 PHE CE1 . 17582 1 1557 . 1 1 139 139 PHE CZ C 13 129.031 0.090 . 1 . . . . 139 PHE CZ . 17582 1 1558 . 1 1 139 139 PHE N N 15 125.178 0.091 . 1 . . . . 139 PHE N . 17582 1 1559 . 1 1 140 140 TYR H H 1 8.963 0.003 . 1 . . . . 140 TYR H . 17582 1 1560 . 1 1 140 140 TYR HA H 1 5.768 0.006 . 1 . . . . 140 TYR HA . 17582 1 1561 . 1 1 140 140 TYR HB2 H 1 3.583 0.008 . 2 . . . . 140 TYR HB2 . 17582 1 1562 . 1 1 140 140 TYR HB3 H 1 3.313 0.003 . 2 . . . . 140 TYR HB3 . 17582 1 1563 . 1 1 140 140 TYR HE1 H 1 6.642 0.008 . 3 . . . . 140 TYR HE1 . 17582 1 1564 . 1 1 140 140 TYR C C 13 177.131 0.000 . 1 . . . . 140 TYR C . 17582 1 1565 . 1 1 140 140 TYR CA C 13 56.381 0.090 . 1 . . . . 140 TYR CA . 17582 1 1566 . 1 1 140 140 TYR CB C 13 39.708 0.036 . 1 . . . . 140 TYR CB . 17582 1 1567 . 1 1 140 140 TYR CE1 C 13 118.163 0.013 . 3 . . . . 140 TYR CE1 . 17582 1 1568 . 1 1 140 140 TYR N N 15 116.487 0.035 . 1 . . . . 140 TYR N . 17582 1 1569 . 1 1 141 141 GLU H H 1 9.267 0.011 . 1 . . . . 141 GLU H . 17582 1 1570 . 1 1 141 141 GLU HA H 1 4.414 0.006 . 1 . . . . 141 GLU HA . 17582 1 1571 . 1 1 141 141 GLU HB2 H 1 2.531 0.007 . 2 . . . . 141 GLU HB2 . 17582 1 1572 . 1 1 141 141 GLU HB3 H 1 2.372 0.014 . 2 . . . . 141 GLU HB3 . 17582 1 1573 . 1 1 141 141 GLU HG2 H 1 2.649 0.015 . 2 . . . . 141 GLU HG2 . 17582 1 1574 . 1 1 141 141 GLU HG3 H 1 2.327 0.010 . 2 . . . . 141 GLU HG3 . 17582 1 1575 . 1 1 141 141 GLU C C 13 175.133 0.000 . 1 . . . . 141 GLU C . 17582 1 1576 . 1 1 141 141 GLU CA C 13 59.028 0.066 . 1 . . . . 141 GLU CA . 17582 1 1577 . 1 1 141 141 GLU CB C 13 33.542 0.081 . 1 . . . . 141 GLU CB . 17582 1 1578 . 1 1 141 141 GLU CG C 13 35.903 0.089 . 1 . . . . 141 GLU CG . 17582 1 1579 . 1 1 141 141 GLU N N 15 122.475 0.073 . 1 . . . . 141 GLU N . 17582 1 1580 . 1 1 142 142 LEU H H 1 8.073 0.003 . 1 . . . . 142 LEU H . 17582 1 1581 . 1 1 142 142 LEU HA H 1 4.990 0.007 . 1 . . . . 142 LEU HA . 17582 1 1582 . 1 1 142 142 LEU HB2 H 1 1.456 0.006 . 2 . . . . 142 LEU HB2 . 17582 1 1583 . 1 1 142 142 LEU HG H 1 1.557 0.004 . 1 . . . . 142 LEU HG . 17582 1 1584 . 1 1 142 142 LEU HD11 H 1 0.977 0.009 . 2 . . . . 142 LEU HD1 . 17582 1 1585 . 1 1 142 142 LEU HD12 H 1 0.977 0.009 . 2 . . . . 142 LEU HD1 . 17582 1 1586 . 1 1 142 142 LEU HD13 H 1 0.977 0.009 . 2 . . . . 142 LEU HD1 . 17582 1 1587 . 1 1 142 142 LEU HD21 H 1 0.897 0.004 . 2 . . . . 142 LEU HD2 . 17582 1 1588 . 1 1 142 142 LEU HD22 H 1 0.897 0.004 . 2 . . . . 142 LEU HD2 . 17582 1 1589 . 1 1 142 142 LEU HD23 H 1 0.897 0.004 . 2 . . . . 142 LEU HD2 . 17582 1 1590 . 1 1 142 142 LEU CA C 13 52.041 0.042 . 1 . . . . 142 LEU CA . 17582 1 1591 . 1 1 142 142 LEU CB C 13 41.983 0.060 . 1 . . . . 142 LEU CB . 17582 1 1592 . 1 1 142 142 LEU CG C 13 27.215 0.062 . 1 . . . . 142 LEU CG . 17582 1 1593 . 1 1 142 142 LEU CD1 C 13 22.254 0.027 . 2 . . . . 142 LEU CD1 . 17582 1 1594 . 1 1 142 142 LEU CD2 C 13 25.102 0.099 . 2 . . . . 142 LEU CD2 . 17582 1 1595 . 1 1 142 142 LEU N N 15 113.384 0.029 . 1 . . . . 142 LEU N . 17582 1 1596 . 1 1 143 143 PRO HA H 1 4.159 0.009 . 1 . . . . 143 PRO HA . 17582 1 1597 . 1 1 143 143 PRO HB2 H 1 2.440 0.006 . 2 . . . . 143 PRO HB2 . 17582 1 1598 . 1 1 143 143 PRO HB3 H 1 1.818 0.007 . 2 . . . . 143 PRO HB3 . 17582 1 1599 . 1 1 143 143 PRO HG2 H 1 2.055 0.008 . 2 . . . . 143 PRO HG2 . 17582 1 1600 . 1 1 143 143 PRO HG3 H 1 2.011 0.005 . 2 . . . . 143 PRO HG3 . 17582 1 1601 . 1 1 143 143 PRO HD2 H 1 3.658 0.002 . 2 . . . . 143 PRO HD2 . 17582 1 1602 . 1 1 143 143 PRO HD3 H 1 3.605 0.007 . 2 . . . . 143 PRO HD3 . 17582 1 1603 . 1 1 143 143 PRO C C 13 175.520 0.000 . 1 . . . . 143 PRO C . 17582 1 1604 . 1 1 143 143 PRO CA C 13 62.477 0.066 . 1 . . . . 143 PRO CA . 17582 1 1605 . 1 1 143 143 PRO CB C 13 32.235 0.052 . 1 . . . . 143 PRO CB . 17582 1 1606 . 1 1 143 143 PRO CG C 13 27.876 0.082 . 1 . . . . 143 PRO CG . 17582 1 1607 . 1 1 143 143 PRO CD C 13 50.937 0.049 . 1 . . . . 143 PRO CD . 17582 1 1608 . 1 1 144 144 ASN H H 1 9.679 0.006 . 1 . . . . 144 ASN H . 17582 1 1609 . 1 1 144 144 ASN HA H 1 3.156 0.007 . 1 . . . . 144 ASN HA . 17582 1 1610 . 1 1 144 144 ASN HB2 H 1 2.712 0.005 . 2 . . . . 144 ASN HB2 . 17582 1 1611 . 1 1 144 144 ASN HB3 H 1 2.551 0.007 . 2 . . . . 144 ASN HB3 . 17582 1 1612 . 1 1 144 144 ASN HD21 H 1 7.384 0.002 . 2 . . . . 144 ASN HD21 . 17582 1 1613 . 1 1 144 144 ASN HD22 H 1 6.759 0.002 . 2 . . . . 144 ASN HD22 . 17582 1 1614 . 1 1 144 144 ASN C C 13 173.158 0.000 . 1 . . . . 144 ASN C . 17582 1 1615 . 1 1 144 144 ASN CA C 13 54.195 0.082 . 1 . . . . 144 ASN CA . 17582 1 1616 . 1 1 144 144 ASN CB C 13 36.604 0.079 . 1 . . . . 144 ASN CB . 17582 1 1617 . 1 1 144 144 ASN CG C 13 178.186 0.011 . 1 . . . . 144 ASN CG . 17582 1 1618 . 1 1 144 144 ASN N N 15 112.877 0.020 . 1 . . . . 144 ASN N . 17582 1 1619 . 1 1 144 144 ASN ND2 N 15 112.532 0.037 . 1 . . . . 144 ASN ND2 . 17582 1 1620 . 1 1 145 145 TYR H H 1 7.878 0.003 . 1 . . . . 145 TYR H . 17582 1 1621 . 1 1 145 145 TYR HA H 1 2.823 0.020 . 1 . . . . 145 TYR HA . 17582 1 1622 . 1 1 145 145 TYR HB2 H 1 2.947 0.010 . 2 . . . . 145 TYR HB2 . 17582 1 1623 . 1 1 145 145 TYR HB3 H 1 1.867 0.011 . 2 . . . . 145 TYR HB3 . 17582 1 1624 . 1 1 145 145 TYR HD1 H 1 6.694 0.004 . 3 . . . . 145 TYR HD1 . 17582 1 1625 . 1 1 145 145 TYR HE1 H 1 6.714 0.005 . 3 . . . . 145 TYR HE1 . 17582 1 1626 . 1 1 145 145 TYR C C 13 174.804 0.000 . 1 . . . . 145 TYR C . 17582 1 1627 . 1 1 145 145 TYR CA C 13 55.044 0.083 . 1 . . . . 145 TYR CA . 17582 1 1628 . 1 1 145 145 TYR CB C 13 33.819 0.048 . 1 . . . . 145 TYR CB . 17582 1 1629 . 1 1 145 145 TYR CD1 C 13 132.455 0.060 . 3 . . . . 145 TYR CD1 . 17582 1 1630 . 1 1 145 145 TYR CE1 C 13 118.012 0.050 . 3 . . . . 145 TYR CE1 . 17582 1 1631 . 1 1 145 145 TYR N N 15 112.152 0.046 . 1 . . . . 145 TYR N . 17582 1 1632 . 1 1 146 146 ARG H H 1 6.139 0.009 . 1 . . . . 146 ARG H . 17582 1 1633 . 1 1 146 146 ARG HA H 1 4.854 0.011 . 1 . . . . 146 ARG HA . 17582 1 1634 . 1 1 146 146 ARG HB2 H 1 1.911 0.008 . 2 . . . . 146 ARG HB2 . 17582 1 1635 . 1 1 146 146 ARG HB3 H 1 1.586 0.008 . 2 . . . . 146 ARG HB3 . 17582 1 1636 . 1 1 146 146 ARG HG2 H 1 1.609 0.005 . 2 . . . . 146 ARG HG2 . 17582 1 1637 . 1 1 146 146 ARG HD2 H 1 3.213 0.003 . 2 . . . . 146 ARG HD2 . 17582 1 1638 . 1 1 146 146 ARG HE H 1 7.038 0.001 . 1 . . . . 146 ARG HE . 17582 1 1639 . 1 1 146 146 ARG C C 13 174.697 0.000 . 1 . . . . 146 ARG C . 17582 1 1640 . 1 1 146 146 ARG CA C 13 53.676 0.045 . 1 . . . . 146 ARG CA . 17582 1 1641 . 1 1 146 146 ARG CB C 13 34.069 0.094 . 1 . . . . 146 ARG CB . 17582 1 1642 . 1 1 146 146 ARG CG C 13 27.140 0.051 . 1 . . . . 146 ARG CG . 17582 1 1643 . 1 1 146 146 ARG CD C 13 43.301 0.041 . 1 . . . . 146 ARG CD . 17582 1 1644 . 1 1 146 146 ARG N N 15 116.510 0.027 . 1 . . . . 146 ARG N . 17582 1 1645 . 1 1 146 146 ARG NE N 15 85.175 0.005 . 1 . . . . 146 ARG NE . 17582 1 1646 . 1 1 147 147 GLY H H 1 8.339 0.007 . 1 . . . . 147 GLY H . 17582 1 1647 . 1 1 147 147 GLY HA2 H 1 4.305 0.009 . 2 . . . . 147 GLY HA2 . 17582 1 1648 . 1 1 147 147 GLY HA3 H 1 3.891 0.012 . 2 . . . . 147 GLY HA3 . 17582 1 1649 . 1 1 147 147 GLY C C 13 173.868 0.000 . 1 . . . . 147 GLY C . 17582 1 1650 . 1 1 147 147 GLY CA C 13 44.305 0.097 . 1 . . . . 147 GLY CA . 17582 1 1651 . 1 1 147 147 GLY N N 15 105.694 0.045 . 1 . . . . 147 GLY N . 17582 1 1652 . 1 1 148 148 ARG H H 1 8.623 0.003 . 1 . . . . 148 ARG H . 17582 1 1653 . 1 1 148 148 ARG HA H 1 4.089 0.010 . 1 . . . . 148 ARG HA . 17582 1 1654 . 1 1 148 148 ARG HB2 H 1 1.836 0.010 . 2 . . . . 148 ARG HB2 . 17582 1 1655 . 1 1 148 148 ARG HB3 H 1 1.676 0.007 . 2 . . . . 148 ARG HB3 . 17582 1 1656 . 1 1 148 148 ARG HG2 H 1 1.852 0.010 . 2 . . . . 148 ARG HG2 . 17582 1 1657 . 1 1 148 148 ARG HG3 H 1 1.522 0.009 . 2 . . . . 148 ARG HG3 . 17582 1 1658 . 1 1 148 148 ARG HD2 H 1 3.287 0.008 . 2 . . . . 148 ARG HD2 . 17582 1 1659 . 1 1 148 148 ARG HD3 H 1 3.170 0.009 . 2 . . . . 148 ARG HD3 . 17582 1 1660 . 1 1 148 148 ARG HE H 1 7.612 0.002 . 1 . . . . 148 ARG HE . 17582 1 1661 . 1 1 148 148 ARG CA C 13 57.553 0.076 . 1 . . . . 148 ARG CA . 17582 1 1662 . 1 1 148 148 ARG CB C 13 30.925 0.091 . 1 . . . . 148 ARG CB . 17582 1 1663 . 1 1 148 148 ARG CG C 13 27.501 0.059 . 1 . . . . 148 ARG CG . 17582 1 1664 . 1 1 148 148 ARG CD C 13 43.390 0.059 . 1 . . . . 148 ARG CD . 17582 1 1665 . 1 1 148 148 ARG N N 15 120.807 0.086 . 1 . . . . 148 ARG N . 17582 1 1666 . 1 1 148 148 ARG NE N 15 85.175 0.016 . 1 . . . . 148 ARG NE . 17582 1 1667 . 1 1 149 149 GLN HA H 1 4.916 0.009 . 1 . . . . 149 GLN HA . 17582 1 1668 . 1 1 149 149 GLN HB2 H 1 1.766 0.007 . 2 . . . . 149 GLN HB2 . 17582 1 1669 . 1 1 149 149 GLN HB3 H 1 1.553 0.005 . 2 . . . . 149 GLN HB3 . 17582 1 1670 . 1 1 149 149 GLN HG2 H 1 2.505 0.005 . 2 . . . . 149 GLN HG2 . 17582 1 1671 . 1 1 149 149 GLN HG3 H 1 2.333 0.005 . 2 . . . . 149 GLN HG3 . 17582 1 1672 . 1 1 149 149 GLN HE21 H 1 8.305 0.006 . 2 . . . . 149 GLN HE21 . 17582 1 1673 . 1 1 149 149 GLN HE22 H 1 7.940 0.003 . 2 . . . . 149 GLN HE22 . 17582 1 1674 . 1 1 149 149 GLN C C 13 175.150 0.000 . 1 . . . . 149 GLN C . 17582 1 1675 . 1 1 149 149 GLN CA C 13 53.587 0.065 . 1 . . . . 149 GLN CA . 17582 1 1676 . 1 1 149 149 GLN CB C 13 32.550 0.047 . 1 . . . . 149 GLN CB . 17582 1 1677 . 1 1 149 149 GLN CG C 13 34.617 0.054 . 1 . . . . 149 GLN CG . 17582 1 1678 . 1 1 149 149 GLN CD C 13 178.893 0.003 . 1 . . . . 149 GLN CD . 17582 1 1679 . 1 1 149 149 GLN NE2 N 15 115.036 0.014 . 1 . . . . 149 GLN NE2 . 17582 1 1680 . 1 1 150 150 TYR H H 1 8.734 0.007 . 1 . . . . 150 TYR H . 17582 1 1681 . 1 1 150 150 TYR HA H 1 4.952 0.004 . 1 . . . . 150 TYR HA . 17582 1 1682 . 1 1 150 150 TYR HB2 H 1 3.578 0.005 . 2 . . . . 150 TYR HB2 . 17582 1 1683 . 1 1 150 150 TYR HB3 H 1 2.538 0.011 . 2 . . . . 150 TYR HB3 . 17582 1 1684 . 1 1 150 150 TYR HD1 H 1 7.201 0.000 . 3 . . . . 150 TYR HD1 . 17582 1 1685 . 1 1 150 150 TYR HE1 H 1 6.723 0.003 . 3 . . . . 150 TYR HE1 . 17582 1 1686 . 1 1 150 150 TYR C C 13 174.093 0.000 . 1 . . . . 150 TYR C . 17582 1 1687 . 1 1 150 150 TYR CA C 13 56.010 0.033 . 1 . . . . 150 TYR CA . 17582 1 1688 . 1 1 150 150 TYR CB C 13 41.007 0.036 . 1 . . . . 150 TYR CB . 17582 1 1689 . 1 1 150 150 TYR CE1 C 13 116.906 0.035 . 3 . . . . 150 TYR CE1 . 17582 1 1690 . 1 1 150 150 TYR N N 15 116.484 0.051 . 1 . . . . 150 TYR N . 17582 1 1691 . 1 1 151 151 LEU H H 1 8.283 0.006 . 1 . . . . 151 LEU H . 17582 1 1692 . 1 1 151 151 LEU HA H 1 4.369 0.019 . 1 . . . . 151 LEU HA . 17582 1 1693 . 1 1 151 151 LEU HB2 H 1 1.920 0.012 . 2 . . . . 151 LEU HB2 . 17582 1 1694 . 1 1 151 151 LEU HB3 H 1 1.177 0.012 . 2 . . . . 151 LEU HB3 . 17582 1 1695 . 1 1 151 151 LEU HG H 1 1.346 0.006 . 1 . . . . 151 LEU HG . 17582 1 1696 . 1 1 151 151 LEU HD11 H 1 0.749 0.007 . 2 . . . . 151 LEU HD1 . 17582 1 1697 . 1 1 151 151 LEU HD12 H 1 0.749 0.007 . 2 . . . . 151 LEU HD1 . 17582 1 1698 . 1 1 151 151 LEU HD13 H 1 0.749 0.007 . 2 . . . . 151 LEU HD1 . 17582 1 1699 . 1 1 151 151 LEU C C 13 175.332 0.000 . 1 . . . . 151 LEU C . 17582 1 1700 . 1 1 151 151 LEU CA C 13 55.040 0.080 . 1 . . . . 151 LEU CA . 17582 1 1701 . 1 1 151 151 LEU CB C 13 44.434 0.084 . 1 . . . . 151 LEU CB . 17582 1 1702 . 1 1 151 151 LEU CG C 13 27.420 0.046 . 1 . . . . 151 LEU CG . 17582 1 1703 . 1 1 151 151 LEU CD1 C 13 26.134 0.044 . 2 . . . . 151 LEU CD1 . 17582 1 1704 . 1 1 151 151 LEU N N 15 125.691 0.058 . 1 . . . . 151 LEU N . 17582 1 1705 . 1 1 152 152 LEU H H 1 9.318 0.010 . 1 . . . . 152 LEU H . 17582 1 1706 . 1 1 152 152 LEU HG H 1 1.124 0.000 . 1 . . . . 152 LEU HG . 17582 1 1707 . 1 1 152 152 LEU HD11 H 1 0.712 0.005 . 2 . . . . 152 LEU HD1 . 17582 1 1708 . 1 1 152 152 LEU HD12 H 1 0.712 0.005 . 2 . . . . 152 LEU HD1 . 17582 1 1709 . 1 1 152 152 LEU HD13 H 1 0.712 0.005 . 2 . . . . 152 LEU HD1 . 17582 1 1710 . 1 1 152 152 LEU HD21 H 1 -0.557 0.004 . 2 . . . . 152 LEU HD2 . 17582 1 1711 . 1 1 152 152 LEU HD22 H 1 -0.557 0.004 . 2 . . . . 152 LEU HD2 . 17582 1 1712 . 1 1 152 152 LEU HD23 H 1 -0.557 0.004 . 2 . . . . 152 LEU HD2 . 17582 1 1713 . 1 1 152 152 LEU CD1 C 13 21.874 0.016 . 2 . . . . 152 LEU CD1 . 17582 1 1714 . 1 1 152 152 LEU CD2 C 13 13.420 0.065 . 2 . . . . 152 LEU CD2 . 17582 1 1715 . 1 1 152 152 LEU N N 15 131.018 0.053 . 1 . . . . 152 LEU N . 17582 1 1716 . 1 1 158 158 ARG HA H 1 3.130 0.000 . 1 . . . . 158 ARG HA . 17582 1 1717 . 1 1 158 158 ARG HE H 1 7.508 0.003 . 1 . . . . 158 ARG HE . 17582 1 1718 . 1 1 158 158 ARG CB C 13 36.413 0.000 . 1 . . . . 158 ARG CB . 17582 1 1719 . 1 1 158 158 ARG CG C 13 30.522 0.000 . 1 . . . . 158 ARG CG . 17582 1 1720 . 1 1 158 158 ARG CD C 13 43.079 0.000 . 1 . . . . 158 ARG CD . 17582 1 1721 . 1 1 158 158 ARG NE N 15 85.649 0.004 . 1 . . . . 158 ARG NE . 17582 1 1722 . 1 1 159 159 LYS H H 1 7.872 0.005 . 1 . . . . 159 LYS H . 17582 1 1723 . 1 1 159 159 LYS HA H 1 5.279 0.005 . 1 . . . . 159 LYS HA . 17582 1 1724 . 1 1 159 159 LYS HB2 H 1 1.938 0.005 . 2 . . . . 159 LYS HB2 . 17582 1 1725 . 1 1 159 159 LYS HB3 H 1 1.568 0.008 . 2 . . . . 159 LYS HB3 . 17582 1 1726 . 1 1 159 159 LYS HG2 H 1 1.331 0.006 . 2 . . . . 159 LYS HG2 . 17582 1 1727 . 1 1 159 159 LYS HG3 H 1 1.185 0.007 . 2 . . . . 159 LYS HG3 . 17582 1 1728 . 1 1 159 159 LYS HD2 H 1 1.610 0.003 . 2 . . . . 159 LYS HD2 . 17582 1 1729 . 1 1 159 159 LYS HE2 H 1 2.884 0.008 . 2 . . . . 159 LYS HE2 . 17582 1 1730 . 1 1 159 159 LYS CA C 13 53.206 0.032 . 1 . . . . 159 LYS CA . 17582 1 1731 . 1 1 159 159 LYS CB C 13 33.874 0.078 . 1 . . . . 159 LYS CB . 17582 1 1732 . 1 1 159 159 LYS CG C 13 23.960 0.075 . 1 . . . . 159 LYS CG . 17582 1 1733 . 1 1 159 159 LYS CD C 13 27.562 0.053 . 1 . . . . 159 LYS CD . 17582 1 1734 . 1 1 159 159 LYS CE C 13 42.098 0.020 . 1 . . . . 159 LYS CE . 17582 1 1735 . 1 1 159 159 LYS N N 15 115.103 0.058 . 1 . . . . 159 LYS N . 17582 1 1736 . 1 1 160 160 PRO HA H 1 1.050 0.009 . 1 . . . . 160 PRO HA . 17582 1 1737 . 1 1 160 160 PRO HB2 H 1 1.506 0.009 . 2 . . . . 160 PRO HB2 . 17582 1 1738 . 1 1 160 160 PRO HB3 H 1 1.009 0.009 . 2 . . . . 160 PRO HB3 . 17582 1 1739 . 1 1 160 160 PRO HG2 H 1 1.739 0.010 . 2 . . . . 160 PRO HG2 . 17582 1 1740 . 1 1 160 160 PRO HD2 H 1 4.091 0.008 . 2 . . . . 160 PRO HD2 . 17582 1 1741 . 1 1 160 160 PRO HD3 H 1 3.412 0.008 . 2 . . . . 160 PRO HD3 . 17582 1 1742 . 1 1 160 160 PRO C C 13 177.638 0.000 . 1 . . . . 160 PRO C . 17582 1 1743 . 1 1 160 160 PRO CA C 13 63.650 0.095 . 1 . . . . 160 PRO CA . 17582 1 1744 . 1 1 160 160 PRO CB C 13 31.331 0.056 . 1 . . . . 160 PRO CB . 17582 1 1745 . 1 1 160 160 PRO CD C 13 49.553 0.109 . 1 . . . . 160 PRO CD . 17582 1 1746 . 1 1 161 161 ILE H H 1 7.184 0.003 . 1 . . . . 161 ILE H . 17582 1 1747 . 1 1 161 161 ILE HA H 1 4.190 0.004 . 1 . . . . 161 ILE HA . 17582 1 1748 . 1 1 161 161 ILE HB H 1 1.658 0.004 . 1 . . . . 161 ILE HB . 17582 1 1749 . 1 1 161 161 ILE HG12 H 1 1.332 0.009 . 2 . . . . 161 ILE HG12 . 17582 1 1750 . 1 1 161 161 ILE HG13 H 1 1.258 0.002 . 2 . . . . 161 ILE HG13 . 17582 1 1751 . 1 1 161 161 ILE HG21 H 1 0.736 0.006 . 1 . . . . 161 ILE HG2 . 17582 1 1752 . 1 1 161 161 ILE HG22 H 1 0.736 0.006 . 1 . . . . 161 ILE HG2 . 17582 1 1753 . 1 1 161 161 ILE HG23 H 1 0.736 0.006 . 1 . . . . 161 ILE HG2 . 17582 1 1754 . 1 1 161 161 ILE HD11 H 1 0.739 0.004 . 1 . . . . 161 ILE HD1 . 17582 1 1755 . 1 1 161 161 ILE HD12 H 1 0.739 0.004 . 1 . . . . 161 ILE HD1 . 17582 1 1756 . 1 1 161 161 ILE HD13 H 1 0.739 0.004 . 1 . . . . 161 ILE HD1 . 17582 1 1757 . 1 1 161 161 ILE C C 13 178.509 0.000 . 1 . . . . 161 ILE C . 17582 1 1758 . 1 1 161 161 ILE CA C 13 60.814 0.099 . 1 . . . . 161 ILE CA . 17582 1 1759 . 1 1 161 161 ILE CB C 13 37.613 0.046 . 1 . . . . 161 ILE CB . 17582 1 1760 . 1 1 161 161 ILE CG1 C 13 29.098 0.046 . 1 . . . . 161 ILE CG1 . 17582 1 1761 . 1 1 161 161 ILE CG2 C 13 18.249 0.053 . 1 . . . . 161 ILE CG2 . 17582 1 1762 . 1 1 161 161 ILE CD1 C 13 13.748 0.017 . 1 . . . . 161 ILE CD1 . 17582 1 1763 . 1 1 161 161 ILE N N 15 113.996 0.023 . 1 . . . . 161 ILE N . 17582 1 1764 . 1 1 162 162 ASP H H 1 8.156 0.003 . 1 . . . . 162 ASP H . 17582 1 1765 . 1 1 162 162 ASP HA H 1 4.592 0.007 . 1 . . . . 162 ASP HA . 17582 1 1766 . 1 1 162 162 ASP HB2 H 1 3.278 0.003 . 2 . . . . 162 ASP HB2 . 17582 1 1767 . 1 1 162 162 ASP HB3 H 1 3.125 0.007 . 2 . . . . 162 ASP HB3 . 17582 1 1768 . 1 1 162 162 ASP C C 13 178.561 0.000 . 1 . . . . 162 ASP C . 17582 1 1769 . 1 1 162 162 ASP CA C 13 57.284 0.063 . 1 . . . . 162 ASP CA . 17582 1 1770 . 1 1 162 162 ASP CB C 13 41.253 0.060 . 1 . . . . 162 ASP CB . 17582 1 1771 . 1 1 162 162 ASP N N 15 123.956 0.028 . 1 . . . . 162 ASP N . 17582 1 1772 . 1 1 163 163 TRP H H 1 7.603 0.005 . 1 . . . . 163 TRP H . 17582 1 1773 . 1 1 163 163 TRP HA H 1 5.323 0.008 . 1 . . . . 163 TRP HA . 17582 1 1774 . 1 1 163 163 TRP HB2 H 1 3.282 0.005 . 2 . . . . 163 TRP HB2 . 17582 1 1775 . 1 1 163 163 TRP HB3 H 1 2.495 0.013 . 2 . . . . 163 TRP HB3 . 17582 1 1776 . 1 1 163 163 TRP HD1 H 1 6.214 0.009 . 1 . . . . 163 TRP HD1 . 17582 1 1777 . 1 1 163 163 TRP HE1 H 1 9.766 0.006 . 1 . . . . 163 TRP HE1 . 17582 1 1778 . 1 1 163 163 TRP HE3 H 1 7.098 0.007 . 1 . . . . 163 TRP HE3 . 17582 1 1779 . 1 1 163 163 TRP HZ2 H 1 7.290 0.003 . 1 . . . . 163 TRP HZ2 . 17582 1 1780 . 1 1 163 163 TRP HZ3 H 1 6.468 0.005 . 1 . . . . 163 TRP HZ3 . 17582 1 1781 . 1 1 163 163 TRP HH2 H 1 6.507 0.004 . 1 . . . . 163 TRP HH2 . 17582 1 1782 . 1 1 163 163 TRP C C 13 175.641 0.000 . 1 . . . . 163 TRP C . 17582 1 1783 . 1 1 163 163 TRP CA C 13 57.211 0.076 . 1 . . . . 163 TRP CA . 17582 1 1784 . 1 1 163 163 TRP CB C 13 26.962 0.085 . 1 . . . . 163 TRP CB . 17582 1 1785 . 1 1 163 163 TRP CD1 C 13 127.172 0.049 . 1 . . . . 163 TRP CD1 . 17582 1 1786 . 1 1 163 163 TRP CE3 C 13 120.936 0.055 . 1 . . . . 163 TRP CE3 . 17582 1 1787 . 1 1 163 163 TRP CZ2 C 13 114.096 0.039 . 1 . . . . 163 TRP CZ2 . 17582 1 1788 . 1 1 163 163 TRP CZ3 C 13 119.602 0.058 . 1 . . . . 163 TRP CZ3 . 17582 1 1789 . 1 1 163 163 TRP CH2 C 13 123.218 0.040 . 1 . . . . 163 TRP CH2 . 17582 1 1790 . 1 1 163 163 TRP N N 15 116.679 0.042 . 1 . . . . 163 TRP N . 17582 1 1791 . 1 1 163 163 TRP NE1 N 15 130.648 0.012 . 1 . . . . 163 TRP NE1 . 17582 1 1792 . 1 1 164 164 GLY H H 1 7.819 0.002 . 1 . . . . 164 GLY H . 17582 1 1793 . 1 1 164 164 GLY HA2 H 1 3.769 0.009 . 2 . . . . 164 GLY HA2 . 17582 1 1794 . 1 1 164 164 GLY HA3 H 1 4.563 0.005 . 2 . . . . 164 GLY HA3 . 17582 1 1795 . 1 1 164 164 GLY C C 13 174.092 0.000 . 1 . . . . 164 GLY C . 17582 1 1796 . 1 1 164 164 GLY CA C 13 45.078 0.083 . 1 . . . . 164 GLY CA . 17582 1 1797 . 1 1 164 164 GLY N N 15 107.964 0.028 . 1 . . . . 164 GLY N . 17582 1 1798 . 1 1 165 165 ALA H H 1 7.113 0.002 . 1 . . . . 165 ALA H . 17582 1 1799 . 1 1 165 165 ALA HA H 1 4.512 0.007 . 1 . . . . 165 ALA HA . 17582 1 1800 . 1 1 165 165 ALA HB1 H 1 0.821 0.005 . 1 . . . . 165 ALA HB . 17582 1 1801 . 1 1 165 165 ALA HB2 H 1 0.821 0.005 . 1 . . . . 165 ALA HB . 17582 1 1802 . 1 1 165 165 ALA HB3 H 1 0.821 0.005 . 1 . . . . 165 ALA HB . 17582 1 1803 . 1 1 165 165 ALA C C 13 176.248 0.000 . 1 . . . . 165 ALA C . 17582 1 1804 . 1 1 165 165 ALA CA C 13 51.417 0.039 . 1 . . . . 165 ALA CA . 17582 1 1805 . 1 1 165 165 ALA CB C 13 22.940 0.065 . 1 . . . . 165 ALA CB . 17582 1 1806 . 1 1 165 165 ALA N N 15 123.926 0.022 . 1 . . . . 165 ALA N . 17582 1 1807 . 1 1 166 166 ALA H H 1 8.686 0.006 . 1 . . . . 166 ALA H . 17582 1 1808 . 1 1 166 166 ALA HA H 1 4.203 0.006 . 1 . . . . 166 ALA HA . 17582 1 1809 . 1 1 166 166 ALA HB1 H 1 1.433 0.002 . 1 . . . . 166 ALA HB . 17582 1 1810 . 1 1 166 166 ALA HB2 H 1 1.433 0.002 . 1 . . . . 166 ALA HB . 17582 1 1811 . 1 1 166 166 ALA HB3 H 1 1.433 0.002 . 1 . . . . 166 ALA HB . 17582 1 1812 . 1 1 166 166 ALA C C 13 176.100 0.000 . 1 . . . . 166 ALA C . 17582 1 1813 . 1 1 166 166 ALA CA C 13 51.712 0.085 . 1 . . . . 166 ALA CA . 17582 1 1814 . 1 1 166 166 ALA CB C 13 19.337 0.027 . 1 . . . . 166 ALA CB . 17582 1 1815 . 1 1 166 166 ALA N N 15 122.216 0.019 . 1 . . . . 166 ALA N . 17582 1 1816 . 1 1 167 167 SER H H 1 7.643 0.002 . 1 . . . . 167 SER H . 17582 1 1817 . 1 1 167 167 SER HA H 1 4.925 0.004 . 1 . . . . 167 SER HA . 17582 1 1818 . 1 1 167 167 SER HB2 H 1 4.153 0.009 . 2 . . . . 167 SER HB2 . 17582 1 1819 . 1 1 167 167 SER HB3 H 1 3.775 0.007 . 2 . . . . 167 SER HB3 . 17582 1 1820 . 1 1 167 167 SER CA C 13 55.249 0.060 . 1 . . . . 167 SER CA . 17582 1 1821 . 1 1 167 167 SER CB C 13 64.918 0.093 . 1 . . . . 167 SER CB . 17582 1 1822 . 1 1 167 167 SER N N 15 114.014 0.022 . 1 . . . . 167 SER N . 17582 1 1823 . 1 1 168 168 PRO HA H 1 4.595 0.003 . 1 . . . . 168 PRO HA . 17582 1 1824 . 1 1 168 168 PRO HB2 H 1 1.661 0.003 . 2 . . . . 168 PRO HB2 . 17582 1 1825 . 1 1 168 168 PRO HB3 H 1 1.226 0.008 . 2 . . . . 168 PRO HB3 . 17582 1 1826 . 1 1 168 168 PRO HG2 H 1 1.674 0.007 . 2 . . . . 168 PRO HG2 . 17582 1 1827 . 1 1 168 168 PRO HD2 H 1 3.713 0.005 . 2 . . . . 168 PRO HD2 . 17582 1 1828 . 1 1 168 168 PRO HD3 H 1 3.657 0.008 . 2 . . . . 168 PRO HD3 . 17582 1 1829 . 1 1 168 168 PRO C C 13 174.060 0.000 . 1 . . . . 168 PRO C . 17582 1 1830 . 1 1 168 168 PRO CA C 13 62.798 0.060 . 1 . . . . 168 PRO CA . 17582 1 1831 . 1 1 168 168 PRO CB C 13 30.391 0.056 . 1 . . . . 168 PRO CB . 17582 1 1832 . 1 1 168 168 PRO CG C 13 26.755 0.066 . 1 . . . . 168 PRO CG . 17582 1 1833 . 1 1 168 168 PRO CD C 13 49.673 0.013 . 1 . . . . 168 PRO CD . 17582 1 1834 . 1 1 169 169 ALA H H 1 7.470 0.002 . 1 . . . . 169 ALA H . 17582 1 1835 . 1 1 169 169 ALA HA H 1 4.478 0.006 . 1 . . . . 169 ALA HA . 17582 1 1836 . 1 1 169 169 ALA HB1 H 1 1.456 0.002 . 1 . . . . 169 ALA HB . 17582 1 1837 . 1 1 169 169 ALA HB2 H 1 1.456 0.002 . 1 . . . . 169 ALA HB . 17582 1 1838 . 1 1 169 169 ALA HB3 H 1 1.456 0.002 . 1 . . . . 169 ALA HB . 17582 1 1839 . 1 1 169 169 ALA C C 13 176.021 0.000 . 1 . . . . 169 ALA C . 17582 1 1840 . 1 1 169 169 ALA CA C 13 53.876 0.071 . 1 . . . . 169 ALA CA . 17582 1 1841 . 1 1 169 169 ALA CB C 13 18.405 0.034 . 1 . . . . 169 ALA CB . 17582 1 1842 . 1 1 169 169 ALA N N 15 123.220 0.024 . 1 . . . . 169 ALA N . 17582 1 1843 . 1 1 170 170 VAL H H 1 7.294 0.003 . 1 . . . . 170 VAL H . 17582 1 1844 . 1 1 170 170 VAL HA H 1 4.461 0.008 . 1 . . . . 170 VAL HA . 17582 1 1845 . 1 1 170 170 VAL HB H 1 1.606 0.009 . 1 . . . . 170 VAL HB . 17582 1 1846 . 1 1 170 170 VAL HG11 H 1 0.783 0.010 . 2 . . . . 170 VAL HG1 . 17582 1 1847 . 1 1 170 170 VAL HG12 H 1 0.783 0.010 . 2 . . . . 170 VAL HG1 . 17582 1 1848 . 1 1 170 170 VAL HG13 H 1 0.783 0.010 . 2 . . . . 170 VAL HG1 . 17582 1 1849 . 1 1 170 170 VAL HG21 H 1 0.476 0.005 . 2 . . . . 170 VAL HG2 . 17582 1 1850 . 1 1 170 170 VAL HG22 H 1 0.476 0.005 . 2 . . . . 170 VAL HG2 . 17582 1 1851 . 1 1 170 170 VAL HG23 H 1 0.476 0.005 . 2 . . . . 170 VAL HG2 . 17582 1 1852 . 1 1 170 170 VAL C C 13 175.353 0.000 . 1 . . . . 170 VAL C . 17582 1 1853 . 1 1 170 170 VAL CA C 13 62.395 0.100 . 1 . . . . 170 VAL CA . 17582 1 1854 . 1 1 170 170 VAL CB C 13 35.885 0.083 . 1 . . . . 170 VAL CB . 17582 1 1855 . 1 1 170 170 VAL CG1 C 13 22.048 0.056 . 2 . . . . 170 VAL CG1 . 17582 1 1856 . 1 1 170 170 VAL CG2 C 13 20.931 0.027 . 2 . . . . 170 VAL CG2 . 17582 1 1857 . 1 1 170 170 VAL N N 15 126.139 0.019 . 1 . . . . 170 VAL N . 17582 1 1858 . 1 1 171 171 GLN H H 1 8.546 0.003 . 1 . . . . 171 GLN H . 17582 1 1859 . 1 1 171 171 GLN HA H 1 4.756 0.004 . 1 . . . . 171 GLN HA . 17582 1 1860 . 1 1 171 171 GLN HB2 H 1 2.531 0.009 . 2 . . . . 171 GLN HB2 . 17582 1 1861 . 1 1 171 171 GLN HB3 H 1 1.485 0.005 . 2 . . . . 171 GLN HB3 . 17582 1 1862 . 1 1 171 171 GLN HG2 H 1 2.534 0.004 . 2 . . . . 171 GLN HG2 . 17582 1 1863 . 1 1 171 171 GLN HG3 H 1 2.337 0.007 . 2 . . . . 171 GLN HG3 . 17582 1 1864 . 1 1 171 171 GLN HE21 H 1 7.707 0.002 . 2 . . . . 171 GLN HE21 . 17582 1 1865 . 1 1 171 171 GLN HE22 H 1 7.108 0.003 . 2 . . . . 171 GLN HE22 . 17582 1 1866 . 1 1 171 171 GLN C C 13 175.174 0.000 . 1 . . . . 171 GLN C . 17582 1 1867 . 1 1 171 171 GLN CA C 13 55.476 0.066 . 1 . . . . 171 GLN CA . 17582 1 1868 . 1 1 171 171 GLN CB C 13 33.917 0.089 . 1 . . . . 171 GLN CB . 17582 1 1869 . 1 1 171 171 GLN CG C 13 36.271 0.075 . 1 . . . . 171 GLN CG . 17582 1 1870 . 1 1 171 171 GLN CD C 13 180.306 0.016 . 1 . . . . 171 GLN CD . 17582 1 1871 . 1 1 171 171 GLN N N 15 118.924 0.023 . 1 . . . . 171 GLN N . 17582 1 1872 . 1 1 171 171 GLN NE2 N 15 114.487 0.058 . 1 . . . . 171 GLN NE2 . 17582 1 1873 . 1 1 172 172 SER H H 1 8.362 0.003 . 1 . . . . 172 SER H . 17582 1 1874 . 1 1 172 172 SER HA H 1 4.548 0.006 . 1 . . . . 172 SER HA . 17582 1 1875 . 1 1 172 172 SER HB2 H 1 4.219 0.012 . 2 . . . . 172 SER HB2 . 17582 1 1876 . 1 1 172 172 SER C C 13 172.626 0.000 . 1 . . . . 172 SER C . 17582 1 1877 . 1 1 172 172 SER CA C 13 59.161 0.062 . 1 . . . . 172 SER CA . 17582 1 1878 . 1 1 172 172 SER CB C 13 65.760 0.091 . 1 . . . . 172 SER CB . 17582 1 1879 . 1 1 172 172 SER N N 15 112.085 0.032 . 1 . . . . 172 SER N . 17582 1 1880 . 1 1 173 173 PHE H H 1 8.937 0.003 . 1 . . . . 173 PHE H . 17582 1 1881 . 1 1 173 173 PHE HA H 1 6.369 0.008 . 1 . . . . 173 PHE HA . 17582 1 1882 . 1 1 173 173 PHE HB2 H 1 3.773 0.014 . 2 . . . . 173 PHE HB2 . 17582 1 1883 . 1 1 173 173 PHE HB3 H 1 3.524 0.008 . 2 . . . . 173 PHE HB3 . 17582 1 1884 . 1 1 173 173 PHE HD1 H 1 6.987 0.004 . 3 . . . . 173 PHE HD1 . 17582 1 1885 . 1 1 173 173 PHE HE1 H 1 7.255 0.009 . 3 . . . . 173 PHE HE1 . 17582 1 1886 . 1 1 173 173 PHE HZ H 1 7.048 0.001 . 1 . . . . 173 PHE HZ . 17582 1 1887 . 1 1 173 173 PHE C C 13 173.985 0.000 . 1 . . . . 173 PHE C . 17582 1 1888 . 1 1 173 173 PHE CA C 13 56.819 0.083 . 1 . . . . 173 PHE CA . 17582 1 1889 . 1 1 173 173 PHE CB C 13 43.292 0.095 . 1 . . . . 173 PHE CB . 17582 1 1890 . 1 1 173 173 PHE CD1 C 13 132.342 0.075 . 3 . . . . 173 PHE CD1 . 17582 1 1891 . 1 1 173 173 PHE CE1 C 13 131.153 0.027 . 3 . . . . 173 PHE CE1 . 17582 1 1892 . 1 1 173 173 PHE CZ C 13 128.940 0.050 . 1 . . . . 173 PHE CZ . 17582 1 1893 . 1 1 173 173 PHE N N 15 111.676 0.027 . 1 . . . . 173 PHE N . 17582 1 1894 . 1 1 174 174 ARG H H 1 9.537 0.005 . 1 . . . . 174 ARG H . 17582 1 1895 . 1 1 174 174 ARG HA H 1 5.256 0.006 . 1 . . . . 174 ARG HA . 17582 1 1896 . 1 1 174 174 ARG HB2 H 1 1.735 0.010 . 2 . . . . 174 ARG HB2 . 17582 1 1897 . 1 1 174 174 ARG HB3 H 1 1.671 0.011 . 2 . . . . 174 ARG HB3 . 17582 1 1898 . 1 1 174 174 ARG HG2 H 1 1.548 0.008 . 2 . . . . 174 ARG HG2 . 17582 1 1899 . 1 1 174 174 ARG HG3 H 1 1.284 0.006 . 2 . . . . 174 ARG HG3 . 17582 1 1900 . 1 1 174 174 ARG HD2 H 1 2.368 0.006 . 2 . . . . 174 ARG HD2 . 17582 1 1901 . 1 1 174 174 ARG HD3 H 1 2.173 0.006 . 2 . . . . 174 ARG HD3 . 17582 1 1902 . 1 1 174 174 ARG HE H 1 6.675 0.002 . 1 . . . . 174 ARG HE . 17582 1 1903 . 1 1 174 174 ARG C C 13 173.578 0.000 . 1 . . . . 174 ARG C . 17582 1 1904 . 1 1 174 174 ARG CA C 13 54.621 0.075 . 1 . . . . 174 ARG CA . 17582 1 1905 . 1 1 174 174 ARG CB C 13 34.351 0.083 . 1 . . . . 174 ARG CB . 17582 1 1906 . 1 1 174 174 ARG CG C 13 25.912 0.061 . 1 . . . . 174 ARG CG . 17582 1 1907 . 1 1 174 174 ARG CD C 13 43.210 0.080 . 1 . . . . 174 ARG CD . 17582 1 1908 . 1 1 174 174 ARG N N 15 116.005 0.019 . 1 . . . . 174 ARG N . 17582 1 1909 . 1 1 174 174 ARG NE N 15 83.959 0.001 . 1 . . . . 174 ARG NE . 17582 1 1910 . 1 1 175 175 ARG H H 1 8.472 0.005 . 1 . . . . 175 ARG H . 17582 1 1911 . 1 1 175 175 ARG HA H 1 3.570 0.011 . 1 . . . . 175 ARG HA . 17582 1 1912 . 1 1 175 175 ARG HB2 H 1 0.806 0.010 . 2 . . . . 175 ARG HB2 . 17582 1 1913 . 1 1 175 175 ARG HB3 H 1 0.163 0.016 . 2 . . . . 175 ARG HB3 . 17582 1 1914 . 1 1 175 175 ARG HG2 H 1 1.652 0.004 . 2 . . . . 175 ARG HG2 . 17582 1 1915 . 1 1 175 175 ARG HG3 H 1 -0.631 0.008 . 2 . . . . 175 ARG HG3 . 17582 1 1916 . 1 1 175 175 ARG HD2 H 1 2.801 0.012 . 2 . . . . 175 ARG HD2 . 17582 1 1917 . 1 1 175 175 ARG HD3 H 1 1.656 0.007 . 2 . . . . 175 ARG HD3 . 17582 1 1918 . 1 1 175 175 ARG HE H 1 6.750 0.002 . 1 . . . . 175 ARG HE . 17582 1 1919 . 1 1 175 175 ARG C C 13 177.417 0.000 . 1 . . . . 175 ARG C . 17582 1 1920 . 1 1 175 175 ARG CA C 13 54.678 0.056 . 1 . . . . 175 ARG CA . 17582 1 1921 . 1 1 175 175 ARG CB C 13 30.072 0.083 . 1 . . . . 175 ARG CB . 17582 1 1922 . 1 1 175 175 ARG CG C 13 23.768 0.076 . 1 . . . . 175 ARG CG . 17582 1 1923 . 1 1 175 175 ARG CD C 13 43.207 0.088 . 1 . . . . 175 ARG CD . 17582 1 1924 . 1 1 175 175 ARG N N 15 121.788 0.052 . 1 . . . . 175 ARG N . 17582 1 1925 . 1 1 175 175 ARG NE N 15 85.454 0.020 . 1 . . . . 175 ARG NE . 17582 1 1926 . 1 1 176 176 ILE H H 1 7.886 0.004 . 1 . . . . 176 ILE H . 17582 1 1927 . 1 1 176 176 ILE HA H 1 4.048 0.004 . 1 . . . . 176 ILE HA . 17582 1 1928 . 1 1 176 176 ILE HB H 1 1.635 0.010 . 1 . . . . 176 ILE HB . 17582 1 1929 . 1 1 176 176 ILE HG12 H 1 1.376 0.010 . 2 . . . . 176 ILE HG12 . 17582 1 1930 . 1 1 176 176 ILE HG13 H 1 0.888 0.007 . 2 . . . . 176 ILE HG13 . 17582 1 1931 . 1 1 176 176 ILE HG21 H 1 0.765 0.006 . 1 . . . . 176 ILE HG2 . 17582 1 1932 . 1 1 176 176 ILE HG22 H 1 0.765 0.006 . 1 . . . . 176 ILE HG2 . 17582 1 1933 . 1 1 176 176 ILE HG23 H 1 0.765 0.006 . 1 . . . . 176 ILE HG2 . 17582 1 1934 . 1 1 176 176 ILE HD11 H 1 0.658 0.007 . 1 . . . . 176 ILE HD1 . 17582 1 1935 . 1 1 176 176 ILE HD12 H 1 0.658 0.007 . 1 . . . . 176 ILE HD1 . 17582 1 1936 . 1 1 176 176 ILE HD13 H 1 0.658 0.007 . 1 . . . . 176 ILE HD1 . 17582 1 1937 . 1 1 176 176 ILE CA C 13 62.225 0.135 . 1 . . . . 176 ILE CA . 17582 1 1938 . 1 1 176 176 ILE CB C 13 36.194 0.075 . 1 . . . . 176 ILE CB . 17582 1 1939 . 1 1 176 176 ILE CG1 C 13 27.085 0.094 . 1 . . . . 176 ILE CG1 . 17582 1 1940 . 1 1 176 176 ILE CG2 C 13 17.974 0.052 . 1 . . . . 176 ILE CG2 . 17582 1 1941 . 1 1 176 176 ILE CD1 C 13 13.940 0.053 . 1 . . . . 176 ILE CD1 . 17582 1 1942 . 1 1 176 176 ILE N N 15 121.400 0.024 . 1 . . . . 176 ILE N . 17582 1 1943 . 1 1 177 177 VAL H H 1 8.067 0.006 . 1 . . . . 177 VAL H . 17582 1 1944 . 1 1 177 177 VAL HA H 1 4.187 0.003 . 1 . . . . 177 VAL HA . 17582 1 1945 . 1 1 177 177 VAL HB H 1 1.986 0.002 . 1 . . . . 177 VAL HB . 17582 1 1946 . 1 1 177 177 VAL HG11 H 1 0.573 0.004 . 2 . . . . 177 VAL HG1 . 17582 1 1947 . 1 1 177 177 VAL HG12 H 1 0.573 0.004 . 2 . . . . 177 VAL HG1 . 17582 1 1948 . 1 1 177 177 VAL HG13 H 1 0.573 0.004 . 2 . . . . 177 VAL HG1 . 17582 1 1949 . 1 1 177 177 VAL HG21 H 1 0.581 0.005 . 2 . . . . 177 VAL HG2 . 17582 1 1950 . 1 1 177 177 VAL HG22 H 1 0.581 0.005 . 2 . . . . 177 VAL HG2 . 17582 1 1951 . 1 1 177 177 VAL HG23 H 1 0.581 0.005 . 2 . . . . 177 VAL HG2 . 17582 1 1952 . 1 1 177 177 VAL C C 13 174.682 0.000 . 1 . . . . 177 VAL C . 17582 1 1953 . 1 1 177 177 VAL CA C 13 60.993 0.045 . 1 . . . . 177 VAL CA . 17582 1 1954 . 1 1 177 177 VAL CB C 13 33.601 0.044 . 1 . . . . 177 VAL CB . 17582 1 1955 . 1 1 177 177 VAL CG1 C 13 21.066 0.071 . 2 . . . . 177 VAL CG1 . 17582 1 1956 . 1 1 177 177 VAL CG2 C 13 19.403 0.022 . 2 . . . . 177 VAL CG2 . 17582 1 1957 . 1 1 177 177 VAL N N 15 124.602 0.050 . 1 . . . . 177 VAL N . 17582 1 1958 . 1 1 178 178 GLU H H 1 7.898 0.004 . 1 . . . . 178 GLU H . 17582 1 1959 . 1 1 178 178 GLU HA H 1 4.095 0.003 . 1 . . . . 178 GLU HA . 17582 1 1960 . 1 1 178 178 GLU HB2 H 1 1.979 0.007 . 2 . . . . 178 GLU HB2 . 17582 1 1961 . 1 1 178 178 GLU HB3 H 1 1.842 0.005 . 2 . . . . 178 GLU HB3 . 17582 1 1962 . 1 1 178 178 GLU HG2 H 1 2.212 0.006 . 2 . . . . 178 GLU HG2 . 17582 1 1963 . 1 1 178 178 GLU HG3 H 1 2.165 0.005 . 2 . . . . 178 GLU HG3 . 17582 1 1964 . 1 1 178 178 GLU CA C 13 57.660 0.071 . 1 . . . . 178 GLU CA . 17582 1 1965 . 1 1 178 178 GLU CB C 13 31.346 0.076 . 1 . . . . 178 GLU CB . 17582 1 1966 . 1 1 178 178 GLU CG C 13 35.805 0.108 . 1 . . . . 178 GLU CG . 17582 1 1967 . 1 1 178 178 GLU N N 15 127.814 0.035 . 1 . . . . 178 GLU N . 17582 1 stop_ save_ save_g18v_assignments_secondary _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode g18v_assignments_secondary _Assigned_chem_shift_list.Entry_ID 17582 _Assigned_chem_shift_list.ID 2 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $TMSP _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 '2D 1H-15N HSQC' . . . 17582 2 2 '2D 1H-13C HSQC aliphatic' . . . 17582 2 3 '2D 1H-13C HSQC aromatic' . . . 17582 2 4 '3D HNCO' . . . 17582 2 5 '3D HNCACB' . . . 17582 2 6 '3D CBCA(CO)NH' . . . 17582 2 7 '3D HCCH-COSY' . . . 17582 2 8 '3D HCCH-TOCSY' . . . 17582 2 9 '3D 1H-15N NOESY' . . . 17582 2 10 '3D 1H-13C NOESY aliphatic' . . . 17582 2 11 '3D 1H-13C NOESY aromatic' . . . 17582 2 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 1 2 2 SER H H 1 8.760 0.000 . 1 . . . . 2 SER H . 17582 2 2 . 1 1 2 2 SER N N 15 115.914 0.000 . 1 . . . . 2 SER N . 17582 2 3 . 1 1 19 19 ARG H H 1 8.745 0.000 . 1 . . . . 19 ARG H . 17582 2 4 . 1 1 19 19 ARG N N 15 127.695 0.000 . 1 . . . . 19 ARG N . 17582 2 5 . 1 1 32 32 THR H H 1 7.827 0.002 . 1 . . . . 32 THR H . 17582 2 6 . 1 1 32 32 THR N N 15 109.796 0.011 . 1 . . . . 32 THR N . 17582 2 7 . 1 1 33 33 TYR CB C 13 39.923 0.000 . 1 . . . . 33 TYR CB . 17582 2 8 . 1 1 34 34 LEU H H 1 7.306 0.005 . 1 . . . . 34 LEU H . 17582 2 9 . 1 1 34 34 LEU CA C 13 54.104 0.094 . 1 . . . . 34 LEU CA . 17582 2 10 . 1 1 34 34 LEU CB C 13 44.333 0.087 . 1 . . . . 34 LEU CB . 17582 2 11 . 1 1 34 34 LEU N N 15 118.648 0.015 . 1 . . . . 34 LEU N . 17582 2 12 . 1 1 35 35 SER H H 1 9.192 0.005 . 1 . . . . 35 SER H . 17582 2 13 . 1 1 35 35 SER CA C 13 59.721 0.027 . 1 . . . . 35 SER CA . 17582 2 14 . 1 1 35 35 SER CB C 13 63.778 0.009 . 1 . . . . 35 SER CB . 17582 2 15 . 1 1 35 35 SER N N 15 120.082 0.059 . 1 . . . . 35 SER N . 17582 2 16 . 1 1 36 36 ARG H H 1 7.889 0.001 . 1 . . . . 36 ARG H . 17582 2 17 . 1 1 36 36 ARG CA C 13 54.814 0.000 . 1 . . . . 36 ARG CA . 17582 2 18 . 1 1 36 36 ARG CB C 13 32.418 0.000 . 1 . . . . 36 ARG CB . 17582 2 19 . 1 1 36 36 ARG N N 15 119.026 0.045 . 1 . . . . 36 ARG N . 17582 2 20 . 1 1 37 37 CYS H H 1 9.680 0.002 . 1 . . . . 37 CYS H . 17582 2 21 . 1 1 37 37 CYS N N 15 117.745 0.081 . 1 . . . . 37 CYS N . 17582 2 22 . 1 1 61 61 ILE H H 1 8.304 0.000 . 1 . . . . 61 ILE H . 17582 2 23 . 1 1 61 61 ILE N N 15 123.723 0.000 . 1 . . . . 61 ILE N . 17582 2 24 . 1 1 64 64 GLN H H 1 8.554 0.000 . 1 . . . . 64 GLN H . 17582 2 25 . 1 1 64 64 GLN N N 15 120.777 0.000 . 1 . . . . 64 GLN N . 17582 2 26 . 1 1 72 72 ARG H H 1 8.043 0.000 . 1 . . . . 72 ARG H . 17582 2 27 . 1 1 72 72 ARG N N 15 117.988 0.000 . 1 . . . . 72 ARG N . 17582 2 28 . 1 1 79 79 ARG H H 1 7.858 0.003 . 1 . . . . 79 ARG H . 17582 2 29 . 1 1 79 79 ARG CB C 13 30.968 0.000 . 1 . . . . 79 ARG CB . 17582 2 30 . 1 1 79 79 ARG N N 15 119.120 0.015 . 1 . . . . 79 ARG N . 17582 2 31 . 1 1 87 87 HIS H H 1 8.659 0.000 . 1 . . . . 87 HIS H . 17582 2 32 . 1 1 87 87 HIS N N 15 126.025 0.000 . 1 . . . . 87 HIS N . 17582 2 33 . 1 1 88 88 LEU H H 1 8.677 0.000 . 1 . . . . 88 LEU H . 17582 2 34 . 1 1 88 88 LEU N N 15 126.848 0.000 . 1 . . . . 88 LEU N . 17582 2 stop_ save_